A0A5K4FFL4_SCHMA Loading...

Cyclic nucleotide-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 652 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	49.3	Very low	53.8	Low	194 Å²	194	132.7 Å²	132.7	96%	0.956	64%	0.643	S	S	*	*				0	-34.3	0	-145	176.1	68.7	0	0	109.7	D3 K4	M1-D3 PolarHBondContact O-N 2.88Å; M1-K4 PolarHBondContact O-N 3.06Å
2	D	55.9	Low	53	Low	123 Å²	123	131.3 Å²	131.3	66%	0.658	64%	0.637	S	S	*	*	H	α-helix	trans	-60.4	-36.6	176	-55.8	-44.3	0	0	0	114.7	K4 Q5 H6	D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.09Å; D2-Q5 WeakPolarHBondContact O-CB 3.49Å; D2-Q5 PolarHBondContact O-N 3.18Å; D2-H6 PolarHBondContact O-N 3.42Å
3	D	56.4	Low	52.1	Low	141 Å²	141	132.1 Å²	132.1	75%	0.754	64%	0.635	S	S	*	*	H	α-helix	trans	-61.2	-36	178	-71.5	-28.1	0	0	0	113.5	M1 Q5 H6 E7	M1-D3 PolarHBondContact O-N 2.88Å; D3-Q5 VanDerWaalsContact C-N 3.32Å; D3-H6 PolarHBondContact O-N 3.09Å; D3-E7 PolarHBondContact O-N 3Å
4	K	62.2	Low	51.2	Low	166 Å²	166	126.2 Å²	126.2	72%	0.722	62%	0.615	S	S	*	*	H	α-helix	trans	-73.6	-26.7	176.7	-73.4	-168.4	175.8	-177	0	112.4	M1 D2 M8	M1-K4 PolarHBondContact O-N 3.06Å; D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.09Å; K4-M8 WeakPolarHBondContact O-CB 3.49Å; K4-M8 PolarHBondContact O-N 3.29Å; K4-M8 VanDerWaalsContact O-N 3.16Å
5	Q	55.1	Low	50.3	Low	120 Å²	120	122.8 Å²	122.8	56%	0.561	61%	0.609	S	S	*	*	H	α-helix	trans	-75.1	-37.5	175.9	-159.9	157.2	-33.7	0	0	110.3	D2 D3 M8 E9	D2-Q5 WeakPolarHBondContact O-CB 3.49Å; D2-Q5 PolarHBondContact O-N 3.18Å; D3-Q5 VanDerWaalsContact C-N 3.32Å; Q5-M8 PolarHBondContact O-N 2.99Å; Q5-E9 PolarHBondContact O-N 3.04Å
6	H	51.3	Low	49.5	Very low	131 Å²	131	119.9 Å²	119.9	61%	0.606	60%	0.604	S	S	*	*	H	α-helix	trans	-68	-37.4	175.2	-143.6	-55.4	0	0	0	112.8	D2 D3 H10	D2-H6 PolarHBondContact O-N 3.42Å; D3-H6 PolarHBondContact O-N 3.09Å; H6-H10 WeakPolarHBondContact O-CB 3.35Å; H6-H10 PolarHBondContact O-N 3.49Å
7	E	58.7	Low	48.7	Very low	129 Å²	129	117.3 Å²	117.3	60%	0.603	60%	0.6	S	S	*	*	H	α-helix	trans	-67.9	-36.4	173.8	-162.6	179	-169	0	0	111.7	D3 H10 L11	D3-E7 PolarHBondContact O-N 3Å; E7-H10 PolarHBondContact O-N 3.28Å; E7-L11 WeakPolarHBondContact O-CB 3.38Å; E7-L11 WeakPolarHBondContact O-CG 3.46Å; E7-L11 PolarHBondContact O-N 3.38Å
8	M	53.3	Low	47.8	Very low	117 Å²	117	120 Å²	120	58%	0.576	61%	0.61	S	S	*	*	H	α-helix	trans	-72	-36.1	176.7	-146	173.3	97.8	0	0	112.3	K4 Q5 L11 M12	K4-M8 WeakPolarHBondContact O-CB 3.49Å; K4-M8 PolarHBondContact O-N 3.29Å; K4-M8 VanDerWaalsContact O-N 3.16Å; Q5-M8 PolarHBondContact O-N 2.99Å; M8-L11 PolarHBondContact O-N 2.94Å; M8-M12 HydrophobicContact CE-CE 4.07Å; M8-M12 WeakPolarHBondContact O-CB 3.44Å; M8-M12 WeakPolarHBondContact O-CG 3.44Å; M8-M12 PolarHBondContact O-N 3.35Å
9	E	54.2	Low	47	Very low	100 Å²	100	117.7 Å²	117.7	47%	0.467	61%	0.605	S	S	.	*	H	α-helix	trans	-66.9	-37.4	170.7	-80.8	-170.7	176.6	0	0	112.2	Q5 M12 K13	Q5-E9 PolarHBondContact O-N 3.04Å; E9-M12 PolarHBondContact O-N 3.18Å; E9-K13 WeakPolarHBondContact O-CB 3.49Å; E9-K13 WeakPolarHBondContact O-CG 3.21Å; E9-K13 PolarHBondContact O-N 3.47Å
10	H	48.4	Very low	46.3	Very low	132 Å²	132	114.8 Å²	114.8	61%	0.611	60%	0.595	S	S	*	*	H	α-helix	trans	-67.2	-38.8	175.6	-160	-80.5	0	0	0	111.7	H6 E7 K13 S14	H6-H10 WeakPolarHBondContact O-CB 3.35Å; H6-H10 PolarHBondContact O-N 3.49Å; E7-H10 PolarHBondContact O-N 3.28Å; H10-K13 PolarHBondContact O-N 3.48Å; H10-S14 WeakPolarHBondContact O-CB 3.35Å; H10-S14 PolarHBondContact O-N 3.5Å; H10-S14 PolarHBondContact O-OG 3.23Å
11	L	46.5	Very low	45.7	Very low	107 Å²	107	115.9 Å²	115.9	56%	0.56	60%	0.6	S	S	*	*	H	α-helix	trans	-70.4	-35.3	174	-76.4	166.8	0	0	0	112.8	E7 M8 S14 S15	E7-L11 WeakPolarHBondContact O-CB 3.38Å; E7-L11 WeakPolarHBondContact O-CG 3.46Å; E7-L11 PolarHBondContact O-N 3.38Å; M8-L11 PolarHBondContact O-N 2.94Å; L11-S14 PolarHBondContact O-OG 2.8Å; L11-S15 WeakPolarHBondContact O-CB 3.27Å; L11-S15 PolarHBondContact O-N 3.2Å
12	M	44.6	Very low	45	Very low	116 Å²	116	111.3 Å²	111.3	57%	0.571	58%	0.583	S	S	*	*	H	α-helix	trans	-64.4	-45.7	171.5	-72.8	-98.1	-158.5	0	0	110.5	M8 E9 S15 S16	M8-M12 HydrophobicContact CE-CE 4.07Å; M8-M12 WeakPolarHBondContact O-CB 3.44Å; M8-M12 WeakPolarHBondContact O-CG 3.44Å; M8-M12 PolarHBondContact O-N 3.35Å; E9-M12 PolarHBondContact O-N 3.18Å; M12-S15 PolarHBondContact O-N 3.49Å; M12-S15 PolarHBondContact O-OG 2.97Å; M12-S16 PolarHBondContact O-N 3.05Å; M12-S16 PolarHBondContact O-OG 3.38Å
13	K	41.7	Very low	44	Very low	141 Å²	141	110.8 Å²	110.8	61%	0.613	58%	0.58	S	S	*	*	H	α-helix	trans	-66.1	-37	177.2	-76.4	176.7	179.5	171.2	0	112.8	E9 H10 S15 S16 S17	E9-K13 WeakPolarHBondContact O-CB 3.49Å; E9-K13 WeakPolarHBondContact O-CG 3.21Å; E9-K13 PolarHBondContact O-N 3.47Å; H10-K13 PolarHBondContact O-N 3.48Å; K13-S15 VanDerWaalsContact C-N 3.32Å; K13-S16 VanDerWaalsContact CA-OG 3.31Å; K13-S16 WeakPolarHBondContact CA-OG 3.32Å; K13-S16 PolarHBondContact O-N 3.29Å; K13-S16 PolarHBondContact O-OG 3.47Å; K13-S17 PolarHBondContact O-N 3.45Å
14	S	39.6	Very low	42.7	Very low	50 Å²	50	109.7 Å²	109.7	35%	0.35	57%	0.574	S	S	.	*	H	α-helix	trans	-73.7	-23.9	174.8	80	0	0	0	0	112.8	H10 L11 S17	H10-S14 WeakPolarHBondContact O-CB 3.35Å; H10-S14 PolarHBondContact O-N 3.5Å; H10-S14 PolarHBondContact O-OG 3.23Å; L11-S14 PolarHBondContact O-OG 2.8Å; S14-S17 PolarHBondContact O-OG 2.94Å
15	S	38	Very low	41.3	Very low	75 Å²	75	108.9 Å²	108.9	52%	0.524	58%	0.577	S	S	.	*	H	α-helix	trans	-77.5	-30.6	172	81.1	0	0	0	0	112.4	L11 M12 K13 S17 Q18	L11-S15 WeakPolarHBondContact O-CB 3.27Å; L11-S15 PolarHBondContact O-N 3.2Å; M12-S15 PolarHBondContact O-N 3.49Å; M12-S15 PolarHBondContact O-OG 2.97Å; K13-S15 VanDerWaalsContact C-N 3.32Å; S15-S17 VanDerWaalsContact C-N 3.34Å; S15-Q18 PolarHBondContact O-N 3.45Å
16	S	36.8	Very low	40.5	Very low	76 Å²	76	108.6 Å²	108.6	53%	0.531	58%	0.583	S	S	.	*	H	α-helix	trans	-71.9	-26.1	173.6	48.5	0	0	0	0	113.1	M12 K13 Q18 C19	M12-S16 PolarHBondContact O-N 3.05Å; M12-S16 PolarHBondContact O-OG 3.38Å; K13-S16 VanDerWaalsContact CA-OG 3.31Å; K13-S16 WeakPolarHBondContact CA-OG 3.32Å; K13-S16 PolarHBondContact O-N 3.29Å; K13-S16 PolarHBondContact O-OG 3.47Å; S16-Q18 VanDerWaalsContact C-N 3.29Å; S16-Q18 PolarHBondContact O-N 3.31Å; S16-C19 PolarHBondContact O-N 3.32Å
17	S	36	Very low	39.4	Very low	76 Å²	76	107.5 Å²	107.5	53%	0.531	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-75.7	-12.7	177.1	66.2	0	0	0	0	114.3	K13 S14 S15 S20	K13-S17 PolarHBondContact O-N 3.45Å; S14-S17 PolarHBondContact O-OG 2.94Å; S15-S17 VanDerWaalsContact C-N 3.34Å; S17-S20 PolarHBondContact O-OG 3.4Å
18	Q	32.7	Very low	38.2	Very low	166 Å²	166	109.3 Å²	109.3	78%	0.776	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-92.6	4.4	172.8	-73.4	-172	-12.4	0	0	113.8	S15 S16 S20	S15-Q18 PolarHBondContact O-N 3.45Å; S16-Q18 VanDerWaalsContact C-N 3.29Å; S16-Q18 PolarHBondContact O-N 3.31Å; Q18-S20 VanDerWaalsContact C-N 3.28Å
19	C	32.6	Very low	37.2	Very low	77 Å²	77	108.9 Å²	108.9	52%	0.52	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-85.6	9.8	166.3	-104.5	0	0	0	0	114	S16 I21 V22	S16-C19 PolarHBondContact O-N 3.32Å; C19-I21 VanDerWaalsContact C-N 3.26Å; C19-I21 PolarHBondContact O-N 2.97Å; C19-V22 PolarHBondContact O-N 3.43Å
20	S	32.4	Very low	35.9	Very low	58 Å²	58	113.3 Å²	113.3	41%	0.406	62%	0.619	S	S	.	*	H	α-helix	trans	-69.6	-15	179.9	55.2	0	0	0	0	114.9	S17 Q18 V22 N24	S17-S20 PolarHBondContact O-OG 3.4Å; Q18-S20 VanDerWaalsContact C-N 3.28Å; S20-V22 VanDerWaalsContact C-N 3.34Å; S20-N24 WeakPolarHBondContact O-CB 3.45Å; S20-N24 PolarHBondContact O-N 2.92Å; S20-N24 PolarHBondContact O-ND2 3.37Å; S20-N24 PolarHBondContact O-OD1 2.97Å
21	I	33.2	Very low	35.1	Very low	138 Å²	138	114.2 Å²	114.2	71%	0.708	63%	0.627	S	S	*	*	H	α-helix	trans	-75.6	-25.6	177.4	-61.2	176.3	0	0	0	111.6	C19	C19-I21 VanDerWaalsContact C-N 3.26Å; C19-I21 PolarHBondContact O-N 2.97Å
22	V	35.8	Very low	34.3	Very low	99 Å²	99	117.6 Å²	117.6	60%	0.6	64%	0.639	S	S	*	*	H	α-helix	trans	-90.4	-33.9	179.7	-175.3	0	0	0	0	111.3	C19 S20 L25	C19-V22 PolarHBondContact O-N 3.43Å; S20-V22 VanDerWaalsContact C-N 3.34Å; V22-L25 PolarHBondContact O-N 3.28Å
23	D	34	Very low	33.7	Very low	112 Å²	112	117.9 Å²	117.9	60%	0.599	65%	0.65	S	S	*	*	H	α-helix	trans	-73.8	-27	177.9	-68	-25.8	0	0	0	112.8	L25 V26	D23-L25 PolarHBondContact O-N 3.1Å; D23-L25 VanDerWaalsContact O-N 3.12Å; D23-V26 PolarHBondContact O-N 3.49Å; D23-V26 VanDerWaalsContact O-N 3.15Å
24	N	30.3	Very low	33.4	Very low	117 Å²	117	116.2 Å²	116.2	63%	0.626	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-10.8	175.4	-78	-5.4	0	0	0	114.4	S20	S20-N24 WeakPolarHBondContact O-CB 3.45Å; S20-N24 PolarHBondContact O-N 2.92Å; S20-N24 PolarHBondContact O-ND2 3.37Å; S20-N24 PolarHBondContact O-OD1 2.97Å
25	L	32.6	Very low	33.1	Very low	149 Å²	149	121.7 Å²	121.7	78%	0.78	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-2.5	176.2	-80.7	158.3	0	0	0	113.3	V22 D23	V22-L25 PolarHBondContact O-N 3.28Å; D23-L25 PolarHBondContact O-N 3.1Å; D23-L25 VanDerWaalsContact O-N 3.12Å
26	V	37.7	Very low	33	Very low	114 Å²	114	124 Å²	124	69%	0.691	69%	0.693	S	S	*	*			trans	-115.9	28.5	-176.8	-162.4	0	0	0	0	111.7	D23 K28	D23-V26 PolarHBondContact O-N 3.49Å; D23-V26 VanDerWaalsContact O-N 3.15Å; V26-K28 PolarHBondContact O-N 2.96Å
27	T	29.1	Very low	32.8	Very low	109 Å²	109	126.3 Å²	126.3	67%	0.669	71%	0.709	S	S	*	*			trans	-73.9	115.6	167.1	50	0	0	0	0	109.2
28	K	32.4	Very low	33	Very low	166 Å²	166	130.3 Å²	130.3	72%	0.722	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-50.8	132.5	166	-84.9	-175.3	171.5	-171.3	0	108	V26 E30 E53	V26-K28 PolarHBondContact O-N 2.96Å; K28-E30 PolarHBondContact O-N 2.91Å; K28-E53 IonicContact NZ-OE1 3.81Å
29	P	32.8	Very low	33.4	Very low	108 Å²	108	130.8 Å²	130.8	70%	0.701	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-62.6	126	176.5	24	-30.1	0	0	0	109.6	I31	P29-I31 PolarHBondContact O-N 3.2Å
30	E	27.1	Very low	33.8	Very low	193 Å²	193	134.3 Å²	134.3	90%	0.902	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-64.8	120.3	164.6	-90.8	173.9	158.4	0	0	108	K28 E32	K28-E30 PolarHBondContact O-N 2.91Å; E30-E32 PolarHBondContact O-N 3.37Å
31	I	32.2	Very low	34.6	Very low	152 Å²	152	135.3 Å²	135.3	78%	0.779	74%	0.738	S	S	*	*			trans	-83.6	106.6	175.9	-59.4	170.9	0	0	0	106.7	P29	P29-I31 PolarHBondContact O-N 3.2Å
32	E	29.2	Very low	35.5	Very low	177 Å²	177	134 Å²	134	83%	0.827	74%	0.738	S	S	*	*			trans	-67.1	132.7	167.4	-81.6	-175.3	159.4	0	0	109.7	E30 S34	E30-E32 PolarHBondContact O-N 3.37Å; E32-S34 PolarHBondContact O-N 3.26Å
33	P	32.5	Very low	36.5	Very low	123 Å²	123	137.1 Å²	137.1	80%	0.799	75%	0.746	S	S	*	*			trans	-72.8	110	178.1	28	-30.2	0	0	0	109.8
34	S	35.3	Very low	37.3	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	74%	0.744	S	S	*	*			trans	-83.3	118.2	171.2	57.2	0	0	0	0	110.5	E32 T36	E32-S34 PolarHBondContact O-N 3.26Å; S34-T36 PolarHBondContact O-N 3.27Å
35	D	31.6	Very low	38.8	Very low	165 Å²	165	136.7 Å²	136.7	88%	0.882	74%	0.737	S	S	*	*			trans	-64.1	96.5	172.1	-77.2	-37.2	0	0	0	111.6
36	T	36	Very low	40.3	Very low	124 Å²	124	135.2 Å²	135.2	76%	0.761	73%	0.73	S	S	*	*			trans	-146.9	112.2	151.9	36.3	0	0	0	0	109	S34 E38	S34-T36 PolarHBondContact O-N 3.27Å; T36-E38 PolarHBondContact O-N 3.15Å; T36-E38 VanDerWaalsContact O-N 3.09Å
37	S	33.3	Very low	41.6	Very low	124 Å²	124	133.9 Å²	133.9	87%	0.867	72%	0.722	S	S	*	*			trans	-70.5	92.3	178	56.1	0	0	0	0	111.1
38	E	41.1	Very low	43.5	Very low	161 Å²	161	132.3 Å²	132.3	75%	0.752	71%	0.71	S	S	*	*			trans	-130.6	131.6	158.8	-74.1	-169.5	169.2	0	0	109.4	T36 Y40	T36-E38 PolarHBondContact O-N 3.15Å; T36-E38 VanDerWaalsContact O-N 3.09Å; E38-Y40 WeakPolarHBondContact O-CD2 3.39Å; E38-Y40 PolarHBondContact O-N 3.12Å
39	N	40.8	Very low	45.3	Very low	176 Å²	176	128.2 Å²	128.2	94%	0.941	70%	0.695	S	S	*	*			trans	-58.4	93.3	-174.4	-77.8	-35.8	0	0	0	112.1
40	Y	40.6	Very low	47.2	Very low	150 Å²	150	129.1 Å²	129.1	59%	0.588	69%	0.69	S	S	*	*			trans	-89.8	115.7	166.1	-88.1	-95.2	0	0	0	110	E38	E38-Y40 WeakPolarHBondContact O-CD2 3.39Å; E38-Y40 PolarHBondContact O-N 3.12Å
41	S	48.2	Very low	49.3	Very low	80 Å²	80	124.6 Å²	124.6	56%	0.559	67%	0.669	S	S	*	*			trans	-60.9	137.7	173.3	-64.9	0	0	0	0	111	E43 K44	S41-E43 PolarHBondContact O-N 3.45Å; S41-E43 VanDerWaalsContact O-N 3.09Å; S41-K44 WeakPolarHBondContact O-CB 3.36Å; S41-K44 PolarHBondContact O-N 2.86Å
42	P	53.5	Low	51.4	Low	109 Å²	109	121.7 Å²	121.7	71%	0.708	65%	0.654	S	S	*	*	H	α-helix	trans	-59.8	-26.2	-172.9	20.5	-32	0	0	0	114.2	L45 N46	P42-L45 PolarHBondContact O-N 3.43Å; P42-N46 PolarHBondContact O-N 3.5Å
43	E	57	Low	53.6	Low	165 Å²	165	118.7 Å²	118.7	77%	0.771	64%	0.64	S	S	*	*	H	α-helix	trans	-65	-38.6	176.1	-127.6	172.8	-174.3	0	0	112.4	S41 N46 T47	S41-E43 PolarHBondContact O-N 3.45Å; S41-E43 VanDerWaalsContact O-N 3.09Å; E43-N46 PolarHBondContact O-N 3.32Å; E43-T47 PolarHBondContact O-N 2.88Å; E43-T47 PolarHBondContact O-OG1 3.43Å
44	K	50.9	Low	55.7	Low	128 Å²	128	114.8 Å²	114.8	56%	0.557	61%	0.614	S	S	*	*	H	α-helix	trans	-70.4	-38.5	179.6	-133.1	178.8	-175.6	-176.6	0	111.5	S41 N46 T47 D48	S41-K44 WeakPolarHBondContact O-CB 3.36Å; S41-K44 PolarHBondContact O-N 2.86Å; K44-N46 PolarHBondContact O-N 3.36Å; K44-T47 WeakPolarHBondContact CA-OG1 3.31Å; K44-T47 PolarHBondContact O-N 2.86Å; K44-T47 PolarHBondContact O-OG1 2.91Å; K44-D48 WeakPolarHBondContact O-CB 3.39Å; K44-D48 PolarHBondContact O-N 2.85Å
45	L	60.7	Low	57.8	Low	92 Å²	92	113.2 Å²	113.2	48%	0.482	60%	0.597	S	S	.	*	H	α-helix	trans	-63.8	-39.7	177.3	-151.1	103.1	0	0	0	111.9	P42 N49	P42-L45 PolarHBondContact O-N 3.43Å; L45-N49 WeakPolarHBondContact O-CB 3.26Å; L45-N49 VanDerWaalsContact O-CG 3.23Å; L45-N49 PolarHBondContact O-N 3.44Å; L45-N49 PolarHBondContact O-ND2 3.36Å
46	N	63.7	Low	60	Low	119 Å²	119	109.2 Å²	109.2	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-68.7	-40.2	176.3	-93.3	-8.9	0	0	0	112.7	P42 E43 K44 H50	P42-N46 PolarHBondContact O-N 3.5Å; E43-N46 PolarHBondContact O-N 3.32Å; K44-N46 PolarHBondContact O-N 3.36Å; N46-H50 WeakPolarHBondContact O-CB 3.36Å; N46-H50 PolarHBondContact O-N 3.23Å
47	T	65.1	Low	62	Low	85 Å²	85	109 Å²	109	52%	0.521	57%	0.565	S	S	.	*	H	α-helix	trans	-65.3	-40.8	174.8	44.6	0	0	0	0	112	E43 K44 H50 Q51	E43-T47 PolarHBondContact O-N 2.88Å; E43-T47 PolarHBondContact O-OG1 3.43Å; K44-T47 WeakPolarHBondContact CA-OG1 3.31Å; K44-T47 PolarHBondContact O-N 2.86Å; K44-T47 PolarHBondContact O-OG1 2.91Å; T47-H50 PolarHBondContact O-N 3.24Å; T47-Q51 WeakPolarHBondContact O-CB 3.33Å; T47-Q51 PolarHBondContact O-N 3.48Å
48	D	69.7	Low	64.1	Low	77 Å²	77	109 Å²	109	41%	0.412	55%	0.549	S	S	.	.	H	α-helix	trans	-66.7	-42.8	179	-69.2	-20.6	0	0	0	110.8	K44 H50 Q51 I52	K44-D48 WeakPolarHBondContact O-CB 3.39Å; K44-D48 PolarHBondContact O-N 2.85Å; D48-H50 PolarHBondContact O-N 3.36Å; D48-Q51 PolarHBondContact O-N 3.4Å; D48-I52 WeakPolarHBondContact O-CD1 3.48Å; D48-I52 WeakPolarHBondContact O-CG1 3.34Å; D48-I52 PolarHBondContact O-N 3.05Å
49	N	69.2	Low	65.8	Low	79 Å²	79	103.6 Å²	103.6	42%	0.422	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-43.6	176	-75.5	-21.9	0	0	0	112.7	L45 Q51 I52 E53	L45-N49 WeakPolarHBondContact O-CB 3.26Å; L45-N49 VanDerWaalsContact O-CG 3.23Å; L45-N49 PolarHBondContact O-N 3.44Å; L45-N49 PolarHBondContact O-ND2 3.36Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 PolarHBondContact O-N 2.97Å; N49-I52 PolarHBondContact O-N 3.49Å; N49-E53 PolarHBondContact O-N 2.74Å
50	H	72.9	Confident	67.5	Low	128 Å²	128	98.6 Å²	98.6	59%	0.593	50%	0.502	S	S	*	.	H	α-helix	trans	-65.8	-38.1	177.3	-168.4	-42.3	0	0	0	111.3	N46 T47 D48 E53 V54	N46-H50 WeakPolarHBondContact O-CB 3.36Å; N46-H50 PolarHBondContact O-N 3.23Å; T47-H50 PolarHBondContact O-N 3.24Å; D48-H50 PolarHBondContact O-N 3.36Å; H50-E53 PolarHBondContact O-N 3.34Å; H50-V54 WeakPolarHBondContact ND1-CG2 3.35Å; H50-V54 VanDerWaalsContact O-CG2 3.32Å; H50-V54 WeakPolarHBondContact O-CG2 3.16Å; H50-V54 PolarHBondContact O-N 3.39Å; H50-V54 VanDerWaalsContact O-N 3.1Å
51	Q	72.4	Confident	69.4	Low	98 Å²	98	95.5 Å²	95.5	46%	0.458	50%	0.496	S	S	.	.	H	α-helix	trans	-65.5	-41.8	177.1	-172.8	57	42.4	0	0	111.3	T47 D48 N49 E53 V54 D55	T47-Q51 WeakPolarHBondContact O-CB 3.33Å; T47-Q51 PolarHBondContact O-N 3.48Å; D48-Q51 PolarHBondContact O-N 3.4Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 PolarHBondContact O-N 2.97Å; Q51-E53 PolarHBondContact O-N 3.34Å; Q51-V54 PolarHBondContact O-N 2.85Å; Q51-D55 PolarHBondContact NE2-OD1 3.23Å; Q51-D55 PolarHBondContact NE2-OD2 2.77Å; Q51-D55 WeakPolarHBondContact O-CB 3.39Å; Q51-D55 VanDerWaalsContact O-CG 3.28Å; Q51-D55 PolarHBondContact O-N 2.86Å
52	I	75.7	Confident	70.6	Confident	90 Å²	90	100 Å²	100	46%	0.462	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-44.1	175.2	-68.7	162.9	0	0	0	111.1	D48 N49 V54 D55 I56	D48-I52 WeakPolarHBondContact O-CD1 3.48Å; D48-I52 WeakPolarHBondContact O-CG1 3.34Å; D48-I52 PolarHBondContact O-N 3.05Å; N49-I52 PolarHBondContact O-N 3.49Å; I52-V54 PolarHBondContact O-N 3.46Å; I52-D55 PolarHBondContact O-N 3.38Å; I52-I56 HydrophobicContact CG2-CD1 3.78Å; I52-I56 HydrophobicContact CG2-CG1 4.41Å; I52-I56 VanDerWaalsContact O-CG1 3.27Å; I52-I56 WeakPolarHBondContact O-CG1 3.39Å; I52-I56 PolarHBondContact O-N 2.8Å
53	E	75.3	Confident	71.5	Confident	115 Å²	115	101.2 Å²	101.2	54%	0.537	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-40.3	-179.5	-162.3	161.3	-140.4	0	0	112	K28 N49 H50 Q51 I56 E57	K28-E53 IonicContact NZ-OE1 3.81Å; N49-E53 PolarHBondContact O-N 2.74Å; H50-E53 PolarHBondContact O-N 3.34Å; Q51-E53 PolarHBondContact O-N 3.34Å; E53-I56 PolarHBondContact O-N 3.05Å; E53-E57 PolarHBondContact O-N 3.38Å
54	V	77.8	Confident	72.1	Confident	40 Å²	40	99.3 Å²	99.3	24%	0.242	48%	0.484	C	S	.	.	H	α-helix	trans	-64	-40.1	174.2	170.2	0	0	0	0	111.7	H50 Q51 I52 E57 K58	H50-V54 WeakPolarHBondContact ND1-CG2 3.35Å; H50-V54 VanDerWaalsContact O-CG2 3.32Å; H50-V54 WeakPolarHBondContact O-CG2 3.16Å; H50-V54 PolarHBondContact O-N 3.39Å; H50-V54 VanDerWaalsContact O-N 3.1Å; Q51-V54 PolarHBondContact O-N 2.85Å; I52-V54 PolarHBondContact O-N 3.46Å; V54-E57 PolarHBondContact O-N 2.97Å; V54-K58 HydrophobicContact CG1-CD 4.23Å; V54-K58 WeakPolarHBondContact O-CB 3.44Å; V54-K58 WeakPolarHBondContact O-CG 3.44Å; V54-K58 PolarHBondContact O-N 2.88Å
55	D	78.5	Confident	72.9	Confident	73 Å²	73	94.9 Å²	94.9	39%	0.39	48%	0.475	S	S	.	.	H	α-helix	trans	-73.3	-33.5	-179.6	-70	-26.2	0	0	0	112.1	Q51 I52 K58 S59	Q51-D55 PolarHBondContact NE2-OD1 3.23Å; Q51-D55 PolarHBondContact NE2-OD2 2.77Å; Q51-D55 WeakPolarHBondContact O-CB 3.39Å; Q51-D55 VanDerWaalsContact O-CG 3.28Å; Q51-D55 PolarHBondContact O-N 2.86Å; I52-D55 PolarHBondContact O-N 3.38Å; D55-K58 IonicContact OD1-NZ 3.16Å; D55-S59 VanDerWaalsContact O-CB 3.26Å; D55-S59 WeakPolarHBondContact O-CB 3.4Å; D55-S59 PolarHBondContact O-N 2.83Å
56	I	77.5	Confident	73	Confident	80 Å²	80	93.2 Å²	93.2	41%	0.41	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-45.3	169	-69.9	168.4	0	0	0	110.4	I52 E53 S59 I60	I52-I56 HydrophobicContact CG2-CD1 3.78Å; I52-I56 HydrophobicContact CG2-CG1 4.41Å; I52-I56 VanDerWaalsContact O-CG1 3.27Å; I52-I56 WeakPolarHBondContact O-CG1 3.39Å; I52-I56 PolarHBondContact O-N 2.8Å; E53-I56 PolarHBondContact O-N 3.05Å; I56-S59 WeakPolarHBondContact O-CB 3.31Å; I56-S59 PolarHBondContact O-N 2.98Å; I56-I60 HydrophobicContact CG2-CD1 3.77Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.11Å; I56-I60 PolarHBondContact O-N 3.44Å
57	E	77.5	Confident	72.4	Confident	119 Å²	119	93.1 Å²	93.1	56%	0.556	47%	0.465	S	S	*	.	H	α-helix	trans	-65.5	-41.3	179.7	-168	174.7	-167.9	0	0	112	E53 V54 S59 I60 N61	E53-E57 PolarHBondContact O-N 3.38Å; V54-E57 PolarHBondContact O-N 2.97Å; E57-S59 PolarHBondContact O-N 2.95Å; E57-I60 PolarHBondContact O-N 3.39Å; E57-N61 WeakPolarHBondContact O-CB 3.44Å; E57-N61 PolarHBondContact O-N 2.93Å; E57-N61 PolarHBondContact O-ND2 3.4Å
58	K	77.4	Confident	71.8	Confident	124 Å²	124	93.6 Å²	93.6	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-60.9	-42.8	171.6	-76.1	173.8	-173.3	164.2	0	111.9	V54 D55 N61 W62	V54-K58 HydrophobicContact CG1-CD 4.23Å; V54-K58 WeakPolarHBondContact O-CB 3.44Å; V54-K58 WeakPolarHBondContact O-CG 3.44Å; V54-K58 PolarHBondContact O-N 2.88Å; D55-K58 IonicContact OD1-NZ 3.16Å; K58-N61 PolarHBondContact O-N 3.47Å; K58-W62 WeakPolarHBondContact O-CB 3.47Å; K58-W62 PolarHBondContact O-N 2.81Å
59	S	76.7	Confident	71.1	Confident	49 Å²	49	95.1 Å²	95.1	34%	0.343	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-45.8	175	152.8	0	0	0	0	111.8	D55 I56 E57 W62 K63	D55-S59 VanDerWaalsContact O-CB 3.26Å; D55-S59 WeakPolarHBondContact O-CB 3.4Å; D55-S59 PolarHBondContact O-N 2.83Å; I56-S59 WeakPolarHBondContact O-CB 3.31Å; I56-S59 PolarHBondContact O-N 2.98Å; E57-S59 PolarHBondContact O-N 2.95Å; S59-W62 PolarHBondContact O-N 2.99Å; S59-K63 WeakPolarHBondContact O-CB 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 3.2Å
60	I	78	Confident	70.3	Confident	70 Å²	70	97.1 Å²	97.1	36%	0.359	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-44.8	177.4	-69.1	167	0	0	0	110.6	I56 E57 K63 K64	I56-I60 HydrophobicContact CG2-CD1 3.77Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.11Å; I56-I60 PolarHBondContact O-N 3.44Å; E57-I60 PolarHBondContact O-N 3.39Å; I60-K63 PolarHBondContact O-N 2.97Å; I60-K64 HydrophobicContact CG2-CD 4.27Å; I60-K64 WeakPolarHBondContact O-CB 3.36Å; I60-K64 WeakPolarHBondContact O-CG 3.32Å; I60-K64 PolarHBondContact O-N 2.86Å
61	N	79.3	Confident	68.8	Low	86 Å²	86	97.3 Å²	97.3	46%	0.46	49%	0.485	S	S	.	.	H	α-helix	trans	-68.5	-36.9	178.9	-77.4	-26.3	0	0	0	112.2	E57 K58 K64 G65	E57-N61 WeakPolarHBondContact O-CB 3.44Å; E57-N61 PolarHBondContact O-N 2.93Å; E57-N61 PolarHBondContact O-ND2 3.4Å; K58-N61 PolarHBondContact O-N 3.47Å; N61-K64 PolarHBondContact O-N 3.4Å; N61-G65 PolarHBondContact O-N 2.86Å
62	W	74.7	Confident	67.4	Low	175 Å²	175	98.1 Å²	98.1	66%	0.663	49%	0.492	S	S	*	.	H	α-helix	trans	-65	-44.1	172.8	-176.6	79.9	0	0	0	111.2	K58 S59 G65 I66	K58-W62 WeakPolarHBondContact O-CB 3.47Å; K58-W62 PolarHBondContact O-N 2.81Å; S59-W62 PolarHBondContact O-N 2.99Å; W62-G65 PolarHBondContact O-N 3.22Å; W62-I66 HydrophobicContact CD2-CD1 3.58Å; W62-I66 HydrophobicContact CD2-CG1 4.42Å; W62-I66 HydrophobicContact CE3-CD1 3.74Å; W62-I66 HydrophobicContact CG-CD1 4.41Å; W62-I66 HydrophobicContact CH2-CD1 3.38Å; W62-I66 HydrophobicContact CZ2-CD1 3.21Å; W62-I66 HydrophobicContact CZ3-CD1 3.64Å; W62-I66 WeakPolarHBondContact O-CB 3.37Å; W62-I66 WeakPolarHBondContact O-CG1 3.34Å; W62-I66 PolarHBondContact O-N 3.16Å
63	K	72.7	Confident	65.8	Low	133 Å²	133	97.9 Å²	97.9	58%	0.578	50%	0.496	S	S	*	.	H	α-helix	trans	-61.7	-42.6	172.9	-75.6	-178.9	-177.2	-176.6	0	112.1	S59 I60 I66 L67	S59-K63 WeakPolarHBondContact O-CB 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.4Å; S59-K63 PolarHBondContact O-N 3.2Å; I60-K63 PolarHBondContact O-N 2.97Å; K63-I66 PolarHBondContact O-N 3.29Å; K63-L67 WeakPolarHBondContact O-CB 3.42Å; K63-L67 PolarHBondContact O-N 3.09Å
64	K	68.4	Low	64.3	Low	125 Å²	125	97.6 Å²	97.6	54%	0.543	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-40	173.8	-77	176.8	-178.2	172.2	0	112	I60 N61 L67 N68	I60-K64 HydrophobicContact CG2-CD 4.27Å; I60-K64 WeakPolarHBondContact O-CB 3.36Å; I60-K64 WeakPolarHBondContact O-CG 3.32Å; I60-K64 PolarHBondContact O-N 2.86Å; N61-K64 PolarHBondContact O-N 3.4Å; K64-L67 PolarHBondContact O-N 2.79Å; K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 PolarHBondContact O-N 3.34Å
65	G	66.9	Low	63	Low	35 Å²	35	100.4 Å²	100.4	36%	0.361	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-47	175.8	0	0	0	0	0	111.9	N61 W62 N68 T69	N61-G65 PolarHBondContact O-N 2.86Å; W62-G65 PolarHBondContact O-N 3.22Å; G65-N68 CarbonylContact O-C 3.56Å; G65-N68 PolarHBondContact O-N 3.16Å; G65-N68 VanDerWaalsContact O-N 3.16Å; G65-T69 PolarHBondContact O-N 3.11Å; G65-T69 PolarHBondContact O-OG1 3.24Å; G65-T69 VanDerWaalsContact O-OG1 3.09Å
66	I	64.7	Low	61.8	Low	58 Å²	58	105.9 Å²	105.9	30%	0.297	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-43.9	173.6	-76.4	179	0	0	0	111.4	W62 K63 N68 T69 L70	W62-I66 HydrophobicContact CD2-CD1 3.58Å; W62-I66 HydrophobicContact CD2-CG1 4.42Å; W62-I66 HydrophobicContact CE3-CD1 3.74Å; W62-I66 HydrophobicContact CG-CD1 4.41Å; W62-I66 HydrophobicContact CH2-CD1 3.38Å; W62-I66 HydrophobicContact CZ2-CD1 3.21Å; W62-I66 HydrophobicContact CZ3-CD1 3.64Å; W62-I66 WeakPolarHBondContact O-CB 3.37Å; W62-I66 WeakPolarHBondContact O-CG1 3.34Å; W62-I66 PolarHBondContact O-N 3.16Å; K63-I66 PolarHBondContact O-N 3.29Å; I66-N68 PolarHBondContact O-N 3.32Å; I66-T69 VanDerWaalsContact CA-OG1 3.32Å; I66-T69 WeakPolarHBondContact CA-OG1 3.46Å; I66-T69 PolarHBondContact O-N 3.45Å; I66-T69 PolarHBondContact O-OG1 3.04Å; I66-T69 VanDerWaalsContact O-OG1 3.11Å; I66-L70 HydrophobicContact CG2-CD1 3.52Å; I66-L70 VanDerWaalsContact O-CB 3.3Å; I66-L70 WeakPolarHBondContact O-CB 3.45Å; I66-L70 PolarHBondContact O-N 3.28Å
67	L	51	Low	61.4	Low	117 Å²	117	107 Å²	107	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-29.1	177.2	-151.8	80.1	0	0	0	111.8	K63 K64 K71	K63-L67 WeakPolarHBondContact O-CB 3.42Å; K63-L67 PolarHBondContact O-N 3.09Å; K64-L67 PolarHBondContact O-N 2.79Å; L67-K71 WeakPolarHBondContact O-CG 3.29Å; L67-K71 PolarHBondContact O-N 3.19Å
68	N	52.4	Low	61.5	Low	95 Å²	95	102.1 Å²	102.1	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-82.5	-30.1	175.2	-78.3	-19.5	0	0	0	113.5	K64 G65 I66 K71	K64-N68 WeakPolarHBondContact O-CB 3.42Å; K64-N68 PolarHBondContact O-N 3.34Å; G65-N68 CarbonylContact O-C 3.56Å; G65-N68 PolarHBondContact O-N 3.16Å; G65-N68 VanDerWaalsContact O-N 3.16Å; I66-N68 PolarHBondContact O-N 3.32Å; N68-K71 WeakPolarHBondContact O-CB 3.23Å; N68-K71 PolarHBondContact O-N 3.08Å; N68-K71 PolarHBondContact OD1-NZ 3.32Å
69	T	54.8	Low	61.6	Low	108 Å²	108	99 Å²	99	66%	0.663	50%	0.496	S	S	*	.	H	α-helix	trans	-79	-31.6	171.9	45.8	0	0	0	0	112.5	G65 I66 K71	G65-T69 PolarHBondContact O-N 3.11Å; G65-T69 PolarHBondContact O-OG1 3.24Å; G65-T69 VanDerWaalsContact O-OG1 3.09Å; I66-T69 VanDerWaalsContact CA-OG1 3.32Å; I66-T69 WeakPolarHBondContact CA-OG1 3.46Å; I66-T69 PolarHBondContact O-N 3.45Å; I66-T69 PolarHBondContact O-OG1 3.04Å; I66-T69 VanDerWaalsContact O-OG1 3.11Å; T69-K71 PolarHBondContact O-N 3.24Å
70	L	51.3	Low	61.9	Low	121 Å²	121	99.5 Å²	99.5	63%	0.634	49%	0.493	S	S	*	.	S	Bend	trans	-71.9	-13.1	168.4	-92.8	142.1	0	0	0	113.4	I66 I72	I66-L70 HydrophobicContact CG2-CD1 3.52Å; I66-L70 VanDerWaalsContact O-CB 3.3Å; I66-L70 WeakPolarHBondContact O-CB 3.45Å; I66-L70 PolarHBondContact O-N 3.28Å; L70-I72 PolarHBondContact O-N 2.98Å
71	K	41.3	Very low	62	Low	132 Å²	132	97.3 Å²	97.3	57%	0.574	48%	0.484	S	S	*	.			trans	-71.2	64.3	157.1	-72.5	170.5	-171.1	161.5	0	108.7	L67 N68 T69 P73	L67-K71 WeakPolarHBondContact O-CG 3.29Å; L67-K71 PolarHBondContact O-N 3.19Å; N68-K71 WeakPolarHBondContact O-CB 3.23Å; N68-K71 PolarHBondContact O-N 3.08Å; N68-K71 PolarHBondContact OD1-NZ 3.32Å; T69-K71 PolarHBondContact O-N 3.24Å; K71-P73 WeakPolarHBondContact O-CD 3.4Å
72	I	43.5	Very low	62.1	Low	115 Å²	115	98.2 Å²	98.2	59%	0.59	49%	0.489	S	S	*	.			trans	-44	121	148.3	-59.8	167.8	0	0	0	104.2	L70 M74	L70-I72 PolarHBondContact O-N 2.98Å; I72-M74 VanDerWaalsContact C-N 3.29Å; I72-M74 PolarHBondContact O-N 2.96Å
73	P	42.6	Very low	62.7	Low	86 Å²	86	91.9 Å²	91.9	56%	0.558	47%	0.471	S	S	*	.			trans	-61.7	99.7	-177.9	22.3	-30.8	0	0	0	107.4	K71 N75 F76	K71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-N75 HydrophobicContact CB-CB 4.46Å; P73-N75 PolarHBondContact O-N 2.99Å; P73-F76 PolarHBondContact O-N 3.13Å
74	M	43.6	Very low	63.4	Low	108 Å²	108	89.5 Å²	89.5	53%	0.532	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-55.1	-8.7	-179.8	-71.2	-84.5	-88.4	0	0	112.6	I72 F76 F77 H154	I72-M74 VanDerWaalsContact C-N 3.29Å; I72-M74 PolarHBondContact O-N 2.96Å; M74-F76 PolarHBondContact O-N 3.3Å; M74-F77 PolarHBondContact O-N 3.03Å; M74-F77 VanDerWaalsContact O-N 3.09Å; M74-H154 VanDerWaalsContact CB-NE2 3.33Å; M74-H154 WeakPolarHBondContact CB-NE2 3.37Å; M74-H154 PolarHBondContact O-CE1 3.26Å; M74-H154 VanDerWaalsContact O-CE1 3.26Å; M74-H154 PolarHBondContact O-NE2 3.24Å; M74-H154 VanDerWaalsContact O-NE2 3.08Å
75	N	49.6	Very low	64.5	Low	100 Å²	100	85.6 Å²	85.6	54%	0.535	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-44	-31.3	165.3	-67.9	-19.8	0	0	0	114.3	P73 F77 I78	P73-N75 HydrophobicContact CB-CB 4.46Å; P73-N75 PolarHBondContact O-N 2.99Å; N75-F77 VanDerWaalsContact C-N 3.26Å; N75-F77 PolarHBondContact O-N 3.39Å; N75-I78 PolarHBondContact O-N 3.19Å
76	F	54.4	Low	65.6	Low	188 Å²	188	84.1 Å²	84.1	83%	0.825	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-67.1	-23	-179.2	-122.8	-84.2	0	0	0	113.9	P73 M74	P73-F76 PolarHBondContact O-N 3.13Å; M74-F76 PolarHBondContact O-N 3.3Å
77	F	69.2	Low	67	Low	104 Å²	104	83 Å²	83	46%	0.456	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-98.5	6	-176.4	-71.6	-76.9	0	0	0	114.3	M74 N75 F79 F137 N141	M74-F77 PolarHBondContact O-N 3.03Å; M74-F77 VanDerWaalsContact O-N 3.09Å; N75-F77 VanDerWaalsContact C-N 3.26Å; N75-F77 PolarHBondContact O-N 3.39Å; F77-F79 WeakPolarHBondContact O-CD2 3.3Å; F77-F79 PolarHBondContact O-N 2.97Å; F77-F137 HydrophobicContact CD1-CE1 4.28Å; F77-N141 VanDerWaalsContact O-CB 3.3Å; F77-N141 WeakPolarHBondContact O-CB 3.47Å
78	I	78.4	Confident	69	Low	15 Å²	15	82.1 Å²	82.1	8%	0.077	44%	0.44	C	S	.	.			trans	-82.5	109.6	-179.2	-58	173.4	0	0	0	109.7	N75 H80 N141 R152 H154 L157	N75-I78 PolarHBondContact O-N 3.19Å; I78-H80 PolarHBondContact O-N 3.29Å; I78-N141 WeakPolarHBondContact CA-O 3.32Å; I78-R152 HydrophobicContact CD1-CB 3.63Å; I78-R152 HydrophobicContact CD1-CG 4.01Å; I78-R152 WeakPolarHBondContact CD1-O 3.36Å; I78-H154 VanDerWaalsContact CG1-CE1 3.44Å; I78-H154 WeakPolarHBondContact CG1-CE1 3.46Å; I78-L157 HydrophobicContact CG2-CD1 4.44Å
79	F	80.7	Confident	71.1	Confident	59 Å²	59	79.8 Å²	79.8	26%	0.259	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-75.8	124.6	174.6	-69.4	-93.2	0	0	0	110.2	F77 Y86 V138 N141 S143	F77-F79 WeakPolarHBondContact O-CD2 3.3Å; F77-F79 PolarHBondContact O-N 2.97Å; F79-Y86 HydrophobicContact CB-CD2 3.95Å; F79-V138 HydrophobicContact CB-CG1 4.41Å; F79-V138 HydrophobicContact CD1-CG1 4.23Å; F79-V138 HydrophobicContact CD2-CB 4.36Å; F79-V138 HydrophobicContact CD2-CG1 3.75Å; F79-V138 HydrophobicContact CD2-CG2 4.36Å; F79-V138 HydrophobicContact CE1-CG1 4.46Å; F79-V138 HydrophobicContact CE2-CB 4.27Å; F79-V138 HydrophobicContact CE2-CG1 4.01Å; F79-V138 HydrophobicContact CE2-CG2 3.79Å; F79-V138 HydrophobicContact CG-CG1 3.86Å; F79-V138 HydrophobicContact CZ-CG1 4.36Å; F79-V138 HydrophobicContact CZ-CG2 3.93Å; F79-N141 HydrophobicContact CD2-CB 4.49Å; F79-N141 PolarHBondContact N-O 3.12Å; F79-N141 VanDerWaalsContact N-O 3.1Å; F79-S143 PolarHBondContact O-N 3.26Å; F79-S143 PolarHBondContact O-OG 3.06Å
80	H	81.8	Confident	73	Confident	59 Å²	59	74.6 Å²	74.6	27%	0.273	39%	0.392	S	S	.	.			trans	-83	126	174.9	-69.2	-43.9	0	0	0	110.7	I78 N82 S83 Y86 S143	I78-H80 PolarHBondContact O-N 3.29Å; H80-N82 PolarHBondContact O-N 3.43Å; H80-S83 PolarHBondContact O-N 3.49Å; H80-S83 PolarHBondContact O-OG 2.8Å; H80-Y86 WeakPolarHBondContact O-CB 3.18Å; H80-S143 WeakPolarHBondContact CA-OG 3.22Å; H80-S143 PolarHBondContact ND1-OG 3.09Å
81	S	80.1	Confident	75.2	Confident	24 Å²	24	71.4 Å²	71.4	17%	0.168	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.3	179.4	65.3	0	0	0	0	113.1	R207	S81-R207 VanDerWaalsContact O-CZ 3.31Å; S81-R207 PolarHBondContact O-NH1 3.23Å; S81-R207 PolarHBondContact O-NH2 3.45Å
82	N	81.6	Confident	77.8	Confident	106 Å²	106	70.8 Å²	70.8	57%	0.567	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	5.7	-176.8	-63.7	8.8	0	0	0	113.6	H80 R211	H80-N82 PolarHBondContact O-N 3.43Å; N82-R211 PolarHBondContact O-NH2 3.28Å
83	S	87.7	Confident	80.4	Confident	41 Å²	41	65.3 Å²	65.3	29%	0.287	35%	0.347	S	S	.	.			trans	-80	151.7	179.8	67.1	0	0	0	0	112.2	H80 G85 Y86 L87	H80-S83 PolarHBondContact O-N 3.49Å; H80-S83 PolarHBondContact O-OG 2.8Å; S83-G85 VanDerWaalsContact C-N 3.28Å; S83-G85 PolarHBondContact O-N 3.39Å; S83-Y86 PolarHBondContact O-N 2.94Å; S83-Y86 PolarHBondContact OG-N 3.38Å; S83-L87 PolarHBondContact O-N 3.37Å
84	S	88.1	Confident	82.9	Confident	84 Å²	84	61.2 Å²	61.2	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-36.1	172.7	-49.8	0	0	0	0	111.8	Y86 L87 I88	S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 PolarHBondContact O-N 3.47Å; S84-L87 WeakPolarHBondContact O-CB 3.41Å; S84-L87 PolarHBondContact O-N 2.77Å; S84-L87 VanDerWaalsContact O-N 3.07Å; S84-I88 WeakPolarHBondContact O-CG1 3.29Å; S84-I88 PolarHBondContact O-N 3.23Å
85	G	89.9	Confident	85.4	Confident	42 Å²	42	61.6 Å²	61.6	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-59.7	-38.7	176.7	0	0	0	0	0	113.4	S83 I88 W89	S83-G85 VanDerWaalsContact C-N 3.28Å; S83-G85 PolarHBondContact O-N 3.39Å; G85-I88 PolarHBondContact O-N 3.06Å; G85-W89 PolarHBondContact O-N 3.48Å
86	Y	91.8	Very high	87.7	Confident	4 Å²	4	57 Å²	57	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-69.7	-34	174.9	-179.4	-91.2	0	0	0	112.2	F79 H80 S83 S84 W89 L90 V138 T142 R200 E203	F79-Y86 HydrophobicContact CB-CD2 3.95Å; H80-Y86 WeakPolarHBondContact O-CB 3.18Å; S83-Y86 PolarHBondContact O-N 2.94Å; S83-Y86 PolarHBondContact OG-N 3.38Å; S84-Y86 VanDerWaalsContact C-N 3.32Å; S84-Y86 PolarHBondContact O-N 3.47Å; Y86-W89 PolarHBondContact O-N 3.36Å; Y86-L90 HydrophobicContact CD1-CD1 3.84Å; Y86-L90 HydrophobicContact CD1-CG 4.09Å; Y86-L90 HydrophobicContact CE1-CD1 3.3Å; Y86-L90 HydrophobicContact CE1-CD2 4.27Å; Y86-L90 HydrophobicContact CE1-CG 3.67Å; Y86-L90 WeakPolarHBondContact O-CG 3.42Å; Y86-L90 PolarHBondContact O-N 3.17Å; Y86-V138 HydrophobicContact CD2-CG1 4.47Å; Y86-V138 HydrophobicContact CE2-CG1 4.36Å; Y86-T142 HydrophobicContact CE2-CG2 3.91Å; Y86-R200 PolarHBondContact OH-NH1 3.22Å; Y86-E203 WeakPolarHBondContact CE1-OE1 3.27Å; Y86-E203 PolarHBondContact OH-OE1 3.31Å; Y86-E203 PolarHBondContact OH-OE2 3.38Å
87	L	92.9	Very high	89.7	Confident	36 Å²	36	48.2 Å²	48.2	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-43.3	173.4	-179	61.1	0	0	0	111.6	S83 S84 W89 L90 T91 R207 V208 R211	S83-L87 PolarHBondContact O-N 3.37Å; S84-L87 WeakPolarHBondContact O-CB 3.41Å; S84-L87 PolarHBondContact O-N 2.77Å; S84-L87 VanDerWaalsContact O-N 3.07Å; L87-W89 VanDerWaalsContact C-N 3.33Å; L87-W89 PolarHBondContact O-N 2.82Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 PolarHBondContact O-N 3.25Å; L87-T91 PolarHBondContact O-N 2.82Å; L87-T91 PolarHBondContact O-OG1 3.23Å; L87-T91 VanDerWaalsContact O-OG1 3.13Å; L87-R207 HydrophobicContact CD1-CB 3.81Å; L87-V208 HydrophobicContact CD1-CG2 3.93Å; L87-R211 HydrophobicContact CD2-CG 4.35Å
88	I	94.2	Very high	90.9	Very high	98 Å²	98	45 Å²	45	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-59.1	-46.5	175.6	-67.6	165.1	0	0	0	110.2	S84 G85 L90 T91 F92	S84-I88 WeakPolarHBondContact O-CG1 3.29Å; S84-I88 PolarHBondContact O-N 3.23Å; G85-I88 PolarHBondContact O-N 3.06Å; I88-L90 PolarHBondContact O-N 2.73Å; I88-T91 VanDerWaalsContact O-CB 3.29Å; I88-T91 WeakPolarHBondContact O-CB 3.44Å; I88-T91 PolarHBondContact O-N 3.36Å; I88-T91 VanDerWaalsContact O-N 3.08Å; I88-F92 HydrophobicContact CG2-CD2 4.04Å; I88-F92 HydrophobicContact CG2-CE2 3.63Å; I88-F92 VanDerWaalsContact O-CD2 3.25Å; I88-F92 WeakPolarHBondContact O-CD2 3.3Å; I88-F92 PolarHBondContact O-N 2.97Å; I88-F92 VanDerWaalsContact O-N 3.15Å
89	W	95.6	Very high	91.8	Very high	45 Å²	45	46 Å²	46	17%	0.17	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-46.1	174.8	177	-104.9	0	0	0	112.5	G85 Y86 L87 T91 F92 V93 T131 I134 D135 V138	G85-W89 PolarHBondContact O-N 3.48Å; Y86-W89 PolarHBondContact O-N 3.36Å; L87-W89 VanDerWaalsContact C-N 3.33Å; L87-W89 PolarHBondContact O-N 2.82Å; W89-T91 PolarHBondContact O-N 3.07Å; W89-F92 WeakPolarHBondContact O-CB 3.31Å; W89-F92 PolarHBondContact O-N 3.12Å; W89-F92 VanDerWaalsContact O-N 3.11Å; W89-V93 HydrophobicContact CD2-CG2 4.31Å; W89-V93 HydrophobicContact CZ2-CG2 3.83Å; W89-V93 WeakPolarHBondContact O-CG2 3.27Å; W89-V93 PolarHBondContact O-N 3.33Å; W89-T131 HydrophobicContact CH2-CG2 4.35Å; W89-I134 HydrophobicContact CH2-CB 3.79Å; W89-I134 HydrophobicContact CH2-CG2 3.36Å; W89-I134 HydrophobicContact CZ2-CB 4.14Å; W89-I134 HydrophobicContact CZ2-CG2 3.77Å; W89-I134 HydrophobicContact CZ3-CG2 4.15Å; W89-D135 HydrophobicContact CZ2-CB 3.89Å; W89-D135 PolarHBondContact NE1-OD1 3.27Å; W89-V138 HydrophobicContact CD2-CG2 4.26Å; W89-V138 HydrophobicContact CG-CG1 4.41Å; W89-V138 HydrophobicContact CZ2-CG2 4.03Å
90	L	95.9	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.2	-32.6	175	-80.5	-176.7	0	0	0	112.8	Y86 L87 I88 S94 E203 W204 R207	Y86-L90 HydrophobicContact CD1-CD1 3.84Å; Y86-L90 HydrophobicContact CD1-CG 4.09Å; Y86-L90 HydrophobicContact CE1-CD1 3.3Å; Y86-L90 HydrophobicContact CE1-CD2 4.27Å; Y86-L90 HydrophobicContact CE1-CG 3.67Å; Y86-L90 WeakPolarHBondContact O-CG 3.42Å; Y86-L90 PolarHBondContact O-N 3.17Å; L87-L90 WeakPolarHBondContact O-CB 3.35Å; L87-L90 PolarHBondContact O-N 3.25Å; I88-L90 PolarHBondContact O-N 2.73Å; L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.49Å; L90-S94 PolarHBondContact O-N 3.24Å; L90-S94 PolarHBondContact O-OG 2.7Å; L90-E203 HydrophobicContact CD1-CG 3.99Å; L90-W204 HydrophobicContact CB-CB 4.1Å; L90-W204 HydrophobicContact CB-CG 4.42Å; L90-R207 VanDerWaalsContact CD1-CD 3.42Å
91	T	95.7	Very high	93.1	Very high	54 Å²	54	41.5 Å²	41.5	33%	0.331	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-44.5	173.7	-58.2	0	0	0	0	110.9	L87 I88 W89 S94 M95 W204	L87-T91 PolarHBondContact O-N 2.82Å; L87-T91 PolarHBondContact O-OG1 3.23Å; L87-T91 VanDerWaalsContact O-OG1 3.13Å; I88-T91 VanDerWaalsContact O-CB 3.29Å; I88-T91 WeakPolarHBondContact O-CB 3.44Å; I88-T91 PolarHBondContact O-N 3.36Å; I88-T91 VanDerWaalsContact O-N 3.08Å; W89-T91 PolarHBondContact O-N 3.07Å; T91-S94 PolarHBondContact O-N 2.84Å; T91-M95 WeakPolarHBondContact O-CB 3.48Å; T91-M95 PolarHBondContact O-N 2.89Å; T91-W204 PolarHBondContact OG1-NE1 2.98Å
92	F	96.4	Very high	93.8	Very high	118 Å²	118	43.7 Å²	43.7	52%	0.518	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-45.9	175.6	-74.7	-69.9	0	0	0	112.3	I88 W89 S94 M95 A96	I88-F92 HydrophobicContact CG2-CD2 4.04Å; I88-F92 HydrophobicContact CG2-CE2 3.63Å; I88-F92 VanDerWaalsContact O-CD2 3.25Å; I88-F92 WeakPolarHBondContact O-CD2 3.3Å; I88-F92 PolarHBondContact O-N 2.97Å; I88-F92 VanDerWaalsContact O-N 3.15Å; W89-F92 WeakPolarHBondContact O-CB 3.31Å; W89-F92 PolarHBondContact O-N 3.12Å; W89-F92 VanDerWaalsContact O-N 3.11Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 3.36Å; F92-M95 WeakPolarHBondContact O-CB 3.44Å; F92-M95 PolarHBondContact O-N 3.38Å; F92-A96 PolarHBondContact O-N 3.48Å
93	V	97.4	Very high	94.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-39.8	176.8	176.3	0	0	0	0	111.4	W89 A96 L97 T131 Y132 D135 K197 R200	W89-V93 HydrophobicContact CD2-CG2 4.31Å; W89-V93 HydrophobicContact CZ2-CG2 3.83Å; W89-V93 WeakPolarHBondContact O-CG2 3.27Å; W89-V93 PolarHBondContact O-N 3.33Å; V93-A96 PolarHBondContact O-N 2.96Å; V93-L97 PolarHBondContact O-N 3.14Å; V93-T131 HydrophobicContact CG2-CG2 4.2Å; V93-Y132 HydrophobicContact CG1-CE1 4.37Å; V93-D135 HydrophobicContact CG2-CB 4.01Å; V93-K197 HydrophobicContact CG1-CG 4.46Å; V93-K197 VanDerWaalsContact CG1-NZ 3.34Å; V93-R200 HydrophobicContact CG1-CB 3.99Å; V93-R200 HydrophobicContact CG1-CG 4.2Å
94	S	96.7	Very high	94.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-37.5	177.2	-56.8	0	0	0	0	111.5	L90 T91 F92 A96 L97 L98 W204	L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.49Å; L90-S94 PolarHBondContact O-N 3.24Å; L90-S94 PolarHBondContact O-OG 2.7Å; T91-S94 PolarHBondContact O-N 2.84Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 3.36Å; S94-A96 VanDerWaalsContact C-N 3.35Å; S94-A96 PolarHBondContact O-N 3.24Å; S94-L97 WeakPolarHBondContact O-CB 3.47Å; S94-L97 PolarHBondContact O-N 2.69Å; S94-L98 WeakPolarHBondContact O-CG 3.43Å; S94-L98 PolarHBondContact O-N 2.95Å; S94-W204 WeakPolarHBondContact OG-CB 3.16Å; S94-W204 VanDerWaalsContact OG-CG 3.27Å
95	M	96.2	Very high	95.2	Very high	116 Å²	116	33.6 Å²	33.6	57%	0.571	17%	0.174	S	C	*	.	H	α-helix	trans	-62.3	-41.6	173.6	-167.6	63.9	71.3	0	0	111.8	T91 F92 L97 L98 Y99	T91-M95 WeakPolarHBondContact O-CB 3.48Å; T91-M95 PolarHBondContact O-N 2.89Å; F92-M95 WeakPolarHBondContact O-CB 3.44Å; F92-M95 PolarHBondContact O-N 3.38Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 3.23Å; M95-L98 WeakPolarHBondContact O-CB 3.32Å; M95-L98 PolarHBondContact O-N 3.25Å; M95-L98 HydrophobicContact SD-CD1 4.38Å; M95-Y99 PolarHBondContact O-N 3.02Å
96	A	97.2	Very high	95.5	Very high	4 Å²	4	32 Å²	32	3%	0.033	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-36	174.2	0	0	0	0	0	112.5	F92 V93 S94 N100 T128 T131 Y132	F92-A96 PolarHBondContact O-N 3.48Å; V93-A96 PolarHBondContact O-N 2.96Å; S94-A96 VanDerWaalsContact C-N 3.35Å; S94-A96 PolarHBondContact O-N 3.24Å; A96-N100 PolarHBondContact O-N 3.42Å; A96-N100 PolarHBondContact O-ND2 3.42Å; A96-T128 HydrophobicContact CB-CG2 3.77Å; A96-T131 HydrophobicContact CB-CG2 4.1Å; A96-Y132 HydrophobicContact CB-CD1 4.48Å; A96-Y132 HydrophobicContact CB-CE1 3.93Å
97	L	96.4	Very high	95.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-44.8	170.6	-179	76.7	0	0	0	111.6	V93 S94 M95 Y99 N100 L101 Y132 F195 K197 W198 C201	V93-L97 PolarHBondContact O-N 3.14Å; S94-L97 WeakPolarHBondContact O-CB 3.47Å; S94-L97 PolarHBondContact O-N 2.69Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 3.23Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 3.43Å; L97-N100 CarbonylContact O-C 3.47Å; L97-N100 PolarHBondContact O-N 3.01Å; L97-N100 VanDerWaalsContact O-N 3.07Å; L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 PolarHBondContact O-N 3.06Å; L97-Y132 VanDerWaalsContact CA-OH 3.31Å; L97-Y132 WeakPolarHBondContact CA-OH 3.46Å; L97-Y132 WeakPolarHBondContact CB-OH 3.48Å; L97-Y132 WeakPolarHBondContact CD1-OH 3.38Å; L97-F195 HydrophobicContact CD1-CD2 4.24Å; L97-K197 HydrophobicContact CD1-CB 4.17Å; L97-W198 HydrophobicContact CD2-CE3 4.01Å; L97-C201 HydrophobicContact CD2-CB 3.31Å
98	L	95.3	Very high	95.7	Very high	36 Å²	36	32.1 Å²	32.1	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-40.4	178.3	-71	177.3	0	0	0	111.5	S94 M95 L101 W102 H225	S94-L98 WeakPolarHBondContact O-CG 3.43Å; S94-L98 PolarHBondContact O-N 2.95Å; M95-L98 WeakPolarHBondContact O-CB 3.32Å; M95-L98 PolarHBondContact O-N 3.25Å; M95-L98 HydrophobicContact SD-CD1 4.38Å; L98-L101 HydrophobicContact CD2-CD2 4.5Å; L98-L101 WeakPolarHBondContact O-CB 3.42Å; L98-L101 PolarHBondContact O-N 2.9Å; L98-L101 VanDerWaalsContact O-N 3.16Å; L98-W102 VanDerWaalsContact O-CD1 3.32Å; L98-W102 PolarHBondContact O-N 3.48Å; L98-H225 VanDerWaalsContact CD2-CE1 3.41Å; L98-H225 WeakPolarHBondContact CD2-CE1 3.16Å
99	Y	96.2	Very high	95.8	Very high	36 Å²	36	27.4 Å²	27.4	14%	0.141	13%	0.132	C	C	.	.	H	α-helix	trans	-55.9	-52.2	170.4	168.7	-95.9	0	0	0	111.9	M95 L97 L101 W102 A103 P104 R107 W121 L124 D125 T128	M95-Y99 PolarHBondContact O-N 3.02Å; L97-Y99 VanDerWaalsContact C-N 3.27Å; L97-Y99 PolarHBondContact O-N 3.43Å; Y99-L101 PolarHBondContact O-N 2.79Å; Y99-L101 VanDerWaalsContact O-N 3.17Å; Y99-W102 PolarHBondContact O-N 3.38Å; Y99-A103 HydrophobicContact CD2-CB 3.86Å; Y99-A103 HydrophobicContact CE2-CB 3.52Å; Y99-A103 WeakPolarHBondContact O-CB 3.4Å; Y99-A103 PolarHBondContact O-N 2.98Å; Y99-P104 WeakPolarHBondContact O-CD 3.32Å; Y99-R107 PolarHBondContact OH-NH1 3.5Å; Y99-R107 VanDerWaalsContact OH-NH1 3.08Å; Y99-W121 HydrophobicContact CE2-CE3 4.24Å; Y99-W121 HydrophobicContact CE2-CZ3 4.17Å; Y99-L124 HydrophobicContact CD2-CB 4.43Å; Y99-L124 HydrophobicContact CD2-CD1 4.39Å; Y99-L124 HydrophobicContact CE1-CB 4.34Å; Y99-L124 HydrophobicContact CE2-CB 3.65Å; Y99-L124 HydrophobicContact CE2-CD1 3.72Å; Y99-L124 HydrophobicContact CE2-CG 4.28Å; Y99-D125 WeakPolarHBondContact CE1-OD1 3.47Å; Y99-D125 PolarHBondContact OH-OD1 3.38Å; Y99-T128 HydrophobicContact CD1-CG2 3.45Å; Y99-T128 VanDerWaalsContact CD1-CG2 3.45Å; Y99-T128 HydrophobicContact CE1-CG2 4.12Å; Y99-T128 HydrophobicContact CG-CG2 3.98Å
100	N	95.3	Very high	95.7	Very high	11 Å²	11	25.6 Å²	25.6	6%	0.059	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-14	179.4	-74.9	-68.5	0	0	0	113.3	A96 L97 P104 T128 R191 R194	A96-N100 PolarHBondContact O-N 3.42Å; A96-N100 PolarHBondContact O-ND2 3.42Å; L97-N100 CarbonylContact O-C 3.47Å; L97-N100 PolarHBondContact O-N 3.01Å; L97-N100 VanDerWaalsContact O-N 3.07Å; N100-P104 VanDerWaalsContact O-CD 3.26Å; N100-P104 WeakPolarHBondContact O-CD 3.27Å; N100-P104 VanDerWaalsContact O-CG 3.31Å; N100-P104 WeakPolarHBondContact O-CG 3.42Å; N100-T128 PolarHBondContact ND2-OG1 3.26Å; N100-R191 PolarHBondContact OD1-NE 3.04Å; N100-R194 HydrophobicContact CB-CB 4.17Å
101	L	94.2	Very high	95.4	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.073	14%	0.142	C	C	.	.	H	α-helix	trans	-91.7	-32.2	176.9	-173.5	54	0	0	0	112.6	L97 L98 Y99 F195 L229 W233	L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 PolarHBondContact O-N 3.06Å; L98-L101 HydrophobicContact CD2-CD2 4.5Å; L98-L101 WeakPolarHBondContact O-CB 3.42Å; L98-L101 PolarHBondContact O-N 2.9Å; L98-L101 VanDerWaalsContact O-N 3.16Å; Y99-L101 PolarHBondContact O-N 2.79Å; Y99-L101 VanDerWaalsContact O-N 3.17Å; L101-F195 HydrophobicContact CD1-CD2 3.8Å; L101-F195 HydrophobicContact CD1-CE2 3.55Å; L101-F195 HydrophobicContact CD2-CE2 4.11Å; L101-F195 HydrophobicContact CG-CE2 4.37Å; L101-L229 HydrophobicContact CD1-CD1 4.48Å; L101-L229 HydrophobicContact CD1-CD2 4.07Å; L101-L229 HydrophobicContact CD2-CD1 4.41Å; L101-L229 HydrophobicContact CD2-CD2 3.35Å; L101-L229 HydrophobicContact CG-CD1 3.82Å; L101-L229 HydrophobicContact CG-CD2 3.57Å; L101-L229 HydrophobicContact CG-CG 4.32Å; L101-W233 HydrophobicContact CD1-CZ2 3.9Å; L101-W233 WeakPolarHBondContact O-CZ2 3.31Å; L101-W233 PolarHBondContact O-NE1 3.21Å
102	W	95.7	Very high	95.1	Very high	70 Å²	70	30.7 Å²	30.7	27%	0.265	15%	0.149	S	C	.	.	H	α-helix	trans	-93.5	-51.3	178.7	-80.6	79.1	0	0	0	112.6	L98 Y99 H225 F228 L229 H232	L98-W102 VanDerWaalsContact O-CD1 3.32Å; L98-W102 PolarHBondContact O-N 3.48Å; Y99-W102 PolarHBondContact O-N 3.38Å; W102-H225 AromaticContact CE2-NE2 3.87Å; W102-H225 AromaticContact CZ2-NE2 3.98Å; W102-H225 AromaticContact NE1-CE1 3.88Å; W102-H225 AromaticContact NE1-NE2 3.19Å; W102-H225 PolarHBondContact NE1-NE2 3.26Å; W102-H225 VanDerWaalsContact NE1-NE2 3.19Å; W102-F228 HydrophobicContact CH2-CB 4.11Å; W102-F228 HydrophobicContact CZ2-CB 4.36Å; W102-L229 HydrophobicContact CD2-CD1 4Å; W102-L229 HydrophobicContact CG-CD1 4.02Å; W102-L229 HydrophobicContact CZ2-CB 3.98Å; W102-L229 HydrophobicContact CZ2-CD1 4.25Å; W102-H232 HydrophobicContact CE3-CB 4.12Å; W102-H232 AromaticContact CE3-CD2 3.76Å; W102-H232 AromaticContact CE3-CG 3.62Å; W102-H232 AromaticContact CE3-ND1 3.78Å; W102-H232 HydrophobicContact CH2-CB 4.14Å; W102-H232 HydrophobicContact CZ3-CB 3.68Å; W102-H232 AromaticContact CZ3-CG 3.6Å; W102-H232 AromaticContact CZ3-ND1 3.74Å; W102-H232 PolarHBondContact O-NE2 3.03Å
103	A	95.4	Very high	94.9	Very high	12 Å²	12	26.8 Å²	26.8	10%	0.099	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-45.9	-166.3	0	0	0	0	0	114.6	Y99 I105 A106 R107 W121	Y99-A103 HydrophobicContact CD2-CB 3.86Å; Y99-A103 HydrophobicContact CE2-CB 3.52Å; Y99-A103 WeakPolarHBondContact O-CB 3.4Å; Y99-A103 PolarHBondContact O-N 2.98Å; A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.03Å; A103-A106 PolarHBondContact O-N 3.06Å; A103-R107 WeakPolarHBondContact O-CB 3.42Å; A103-R107 WeakPolarHBondContact O-CD 3.15Å; A103-R107 WeakPolarHBondContact O-CG 3.24Å; A103-R107 PolarHBondContact O-N 3Å; A103-W121 HydrophobicContact CB-CZ3 4.22Å
104	P	95.1	Very high	94.7	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-59.5	-40.2	-174	-29.2	38.8	0	0	0	114	Y99 N100 R107 Q108 M189 R191	Y99-P104 WeakPolarHBondContact O-CD 3.32Å; N100-P104 VanDerWaalsContact O-CD 3.26Å; N100-P104 WeakPolarHBondContact O-CD 3.27Å; N100-P104 VanDerWaalsContact O-CG 3.31Å; N100-P104 WeakPolarHBondContact O-CG 3.42Å; P104-R107 PolarHBondContact O-N 3.11Å; P104-Q108 WeakPolarHBondContact O-CB 3.48Å; P104-Q108 PolarHBondContact O-N 3.23Å; P104-M189 HydrophobicContact CB-CE 3.71Å; P104-M189 WeakPolarHBondContact O-CE 3.37Å; P104-R191 HydrophobicContact CG-CB 4.39Å
105	I	95.8	Very high	94.4	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-70.3	-40	-178.5	-166	62.2	0	0	0	112	A103 Q108 A109 M189 W233 A236 F237 L240	A103-I105 VanDerWaalsContact C-N 3.34Å; A103-I105 PolarHBondContact O-N 3.03Å; I105-Q108 PolarHBondContact O-N 3.2Å; I105-A109 WeakPolarHBondContact O-CB 3.48Å; I105-A109 PolarHBondContact O-N 3.1Å; I105-M189 HydrophobicContact CB-CE 3.84Å; I105-M189 HydrophobicContact CD1-CE 3.78Å; I105-M189 HydrophobicContact CD1-SD 4.17Å; I105-M189 HydrophobicContact CG1-CE 4.41Å; I105-W233 HydrophobicContact CB-CD2 4.29Å; I105-W233 HydrophobicContact CB-CE3 4.4Å; I105-W233 HydrophobicContact CB-CH2 4.4Å; I105-W233 HydrophobicContact CB-CZ2 4.25Å; I105-W233 HydrophobicContact CB-CZ3 4.46Å; I105-W233 HydrophobicContact CD1-CE3 4.27Å; I105-W233 HydrophobicContact CD1-CZ3 4.22Å; I105-W233 HydrophobicContact CG1-CD2 4.14Å; I105-W233 HydrophobicContact CG1-CE3 3.96Å; I105-W233 HydrophobicContact CG1-CZ3 4.24Å; I105-W233 HydrophobicContact CG2-CD2 4.05Å; I105-W233 HydrophobicContact CG2-CG 4.22Å; I105-W233 HydrophobicContact CG2-CZ2 4.24Å; I105-A236 HydrophobicContact CD1-CB 4.43Å; I105-A236 HydrophobicContact CG1-CB 3.63Å; I105-F237 HydrophobicContact CD1-CE1 4.24Å; I105-F237 HydrophobicContact CD1-CZ 4.27Å; I105-L240 HydrophobicContact CD1-CD1 4.49Å
106	A	95.5	Very high	94.2	Very high	9 Å²	9	31.4 Å²	31.4	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-46.7	171.8	0	0	0	0	0	111.7	A103 Q108 A109 F110 L113	A103-A106 PolarHBondContact O-N 3.06Å; A106-Q108 VanDerWaalsContact C-N 3.29Å; A106-Q108 PolarHBondContact O-N 3.19Å; A106-A109 PolarHBondContact O-N 3.13Å; A106-F110 HydrophobicContact CB-CD2 4.4Å; A106-F110 WeakPolarHBondContact O-CB 3.33Å; A106-F110 VanDerWaalsContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CD2 3.35Å; A106-F110 PolarHBondContact O-N 3.17Å; A106-L113 HydrophobicContact CB-CD2 4.08Å
107	R	94.9	Very high	94.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-34.6	179.8	-69.7	162.1	60.1	-175.2	0.4	112.2	Y99 A103 P104 Q114 W121 D125 P188	Y99-R107 PolarHBondContact OH-NH1 3.5Å; Y99-R107 VanDerWaalsContact OH-NH1 3.08Å; A103-R107 WeakPolarHBondContact O-CB 3.42Å; A103-R107 WeakPolarHBondContact O-CD 3.15Å; A103-R107 WeakPolarHBondContact O-CG 3.24Å; A103-R107 PolarHBondContact O-N 3Å; P104-R107 PolarHBondContact O-N 3.11Å; R107-Q114 HydrophobicContact CB-CB 4.45Å; R107-Q114 VanDerWaalsContact NH2-OE1 3.13Å; R107-W121 HydrophobicContact CG-CD2 4.17Å; R107-W121 HydrophobicContact CG-CG 4.5Å; R107-W121 HydrophobicContact CG-CZ2 4.38Å; R107-D125 IonicContact CZ-OD1 3.2Å; R107-D125 IonicContact CZ-OD2 3.41Å; R107-D125 VanDerWaalsContact CZ-OD2 3.32Å; R107-D125 IonicContact NH1-OD1 3.32Å; R107-D125 PolarHBondContact NH1-OD1 2.96Å; R107-D125 IonicContact NH1-OD2 2.98Å; R107-D125 PolarHBondContact NH1-OD2 3.04Å; R107-D125 IonicContact NH2-OD2 3.37Å; R107-D125 PolarHBondContact NH2-OD2 3.1Å; R107-P188 HydrophobicContact CB-CB 3.83Å; R107-P188 HydrophobicContact CB-CG 3.69Å
108	Q	95	Very high	93.9	Very high	39 Å²	39	40.3 Å²	40.3	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-72.3	-44.7	176.4	-171.6	71.4	43.6	0	0	111.9	P104 I105 A106 P188 M189	P104-Q108 WeakPolarHBondContact O-CB 3.48Å; P104-Q108 PolarHBondContact O-N 3.23Å; I105-Q108 PolarHBondContact O-N 3.2Å; A106-Q108 VanDerWaalsContact C-N 3.29Å; A106-Q108 PolarHBondContact O-N 3.19Å; Q108-P188 VanDerWaalsContact OE1-CD 3.31Å; Q108-M189 HydrophobicContact CB-CE 3.99Å; Q108-M189 HydrophobicContact CB-CG 3.92Å; Q108-M189 HydrophobicContact CG-CG 3.63Å
109	A	95.2	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-52.4	-179.1	0	0	0	0	0	111.8	I105 A106 T111 A236 Y239 L240	I105-A109 WeakPolarHBondContact O-CB 3.48Å; I105-A109 PolarHBondContact O-N 3.1Å; A106-A109 PolarHBondContact O-N 3.13Å; A109-T111 PolarHBondContact O-N 3.28Å; A109-A236 HydrophobicContact CB-CB 3.68Å; A109-A236 WeakPolarHBondContact CB-O 3.36Å; A109-Y239 HydrophobicContact CB-CD1 4.33Å; A109-Y239 VanDerWaalsContact O-CD1 3.25Å; A109-Y239 WeakPolarHBondContact O-CD1 3.47Å; A109-Y239 WeakPolarHBondContact O-CE1 3.48Å; A109-L240 HydrophobicContact CB-CD1 4.1Å; A109-L240 HydrophobicContact CB-CD2 4.31Å; A109-L240 HydrophobicContact CB-CG 3.78Å
110	F	94.1	Very high	93.8	Very high	7 Å²	7	48 Å²	48	3%	0.031	24%	0.239	C	C	.	.			trans	-97.9	81.2	-175.5	-50.5	-72.5	0	0	0	109.5	A106 E112 L113 A236 Y239 I267 Y268	A106-F110 HydrophobicContact CB-CD2 4.4Å; A106-F110 WeakPolarHBondContact O-CB 3.33Å; A106-F110 VanDerWaalsContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CD2 3.35Å; A106-F110 PolarHBondContact O-N 3.17Å; F110-E112 PolarHBondContact O-N 3Å; F110-E112 VanDerWaalsContact O-N 3.14Å; F110-L113 HydrophobicContact CB-CB 4.09Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.46Å; F110-A236 HydrophobicContact CE2-CB 4.45Å; F110-Y239 AromaticContact CD1-CD1 3.91Å; F110-Y239 HydrophobicContact CD1-CD1 3.91Å; F110-Y239 HydrophobicContact CD1-CE1 4.11Å; F110-Y239 HydrophobicContact CD1-CG 4.17Å; F110-Y239 AromaticContact CE1-CD1 3.86Å; F110-Y239 HydrophobicContact CE1-CD1 3.86Å; F110-Y239 HydrophobicContact CE1-CD2 4.13Å; F110-Y239 HydrophobicContact CE1-CE1 4.44Å; F110-Y239 AromaticContact CE1-CG 3.67Å; F110-Y239 HydrophobicContact CE1-CG 3.67Å; F110-Y239 HydrophobicContact CZ-CG 4.43Å; F110-I267 HydrophobicContact CD1-CG2 4.11Å; F110-I267 HydrophobicContact CE1-CG2 4.01Å; F110-Y268 HydrophobicContact CD2-CD2 4.2Å; F110-Y268 AromaticContact CE2-CD2 3.56Å; F110-Y268 HydrophobicContact CE2-CD2 3.56Å; F110-Y268 HydrophobicContact CE2-CE2 4.26Å; F110-Y268 AromaticContact CZ-CD2 3.84Å; F110-Y268 HydrophobicContact CZ-CD2 3.84Å
111	T	90.2	Very high	93.8	Very high	57 Å²	57	49 Å²	49	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-58.5	-30.4	-173.1	48.3	0	0	0	0	114	A109 L113 Q114 I115	A109-T111 PolarHBondContact O-N 3.28Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 2.52Å; T111-Q114 WeakPolarHBondContact O-CB 3.36Å; T111-Q114 PolarHBondContact O-N 2.68Å; T111-Q114 VanDerWaalsContact O-N 3.17Å; T111-I115 WeakPolarHBondContact O-CG1 3.39Å; T111-I115 PolarHBondContact O-N 3.17Å; T111-I115 VanDerWaalsContact O-N 3.11Å
112	E	89.5	Confident	93.8	Very high	103 Å²	103	51.6 Å²	51.6	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-65	-32.8	174.5	-65	-179.7	-179.6	0	0	112.6	F110 Q114 I115 T116 I264	F110-E112 PolarHBondContact O-N 3Å; F110-E112 VanDerWaalsContact O-N 3.14Å; E112-Q114 VanDerWaalsContact C-N 3.25Å; E112-Q114 PolarHBondContact O-N 2.96Å; E112-I115 PolarHBondContact O-N 3.27Å; E112-T116 VanDerWaalsContact O-CB 3.28Å; E112-T116 WeakPolarHBondContact O-CB 3.29Å; E112-T116 PolarHBondContact O-N 3.5Å; E112-T116 PolarHBondContact O-OG1 3.41Å; E112-I264 HydrophobicContact CB-CD1 3.63Å; E112-I264 HydrophobicContact CB-CG1 3.84Å; E112-I264 VanDerWaalsContact OE2-CG1 3.22Å; E112-I264 WeakPolarHBondContact OE2-CG1 3.4Å
113	L	92.2	Very high	93.8	Very high	37 Å²	37	51.7 Å²	51.7	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-37.4	173.8	-175.7	70.4	0	0	0	111	A106 F110 T111 Y117 W121 I264	A106-L113 HydrophobicContact CB-CD2 4.08Å; F110-L113 HydrophobicContact CB-CB 4.09Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.46Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 2.52Å; L113-Y117 HydrophobicContact CD1-CD2 4.01Å; L113-Y117 HydrophobicContact CD1-CE2 4.24Å; L113-Y117 PolarHBondContact O-N 2.87Å; L113-W121 HydrophobicContact CD1-CZ2 4.17Å; L113-W121 HydrophobicContact CD2-CZ2 4.19Å; L113-W121 HydrophobicContact CG-CZ2 3.92Å; L113-W121 PolarHBondContact O-NE1 2.97Å; L113-I264 HydrophobicContact CB-CG2 4.33Å
114	Q	92.3	Very high	93.8	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-70.5	-43.5	178	174.2	57.4	48.6	0	0	111.7	R107 T111 E112 Q118 I186 P188	R107-Q114 HydrophobicContact CB-CB 4.45Å; R107-Q114 VanDerWaalsContact NH2-OE1 3.13Å; T111-Q114 WeakPolarHBondContact O-CB 3.36Å; T111-Q114 PolarHBondContact O-N 2.68Å; T111-Q114 VanDerWaalsContact O-N 3.17Å; E112-Q114 VanDerWaalsContact C-N 3.25Å; E112-Q114 PolarHBondContact O-N 2.96Å; Q114-Q118 WeakPolarHBondContact O-CA 3.28Å; Q114-Q118 WeakPolarHBondContact O-CB 3.34Å; Q114-Q118 PolarHBondContact O-N 2.86Å; Q114-I186 HydrophobicContact CG-CG2 3.9Å; Q114-P188 HydrophobicContact CG-CG 4.43Å
115	I	91.5	Very high	93.8	Very high	119 Å²	119	54 Å²	54	61%	0.61	27%	0.274	S	S	*	.	H	α-helix	trans	-71.1	-47.9	-177.2	-64.7	167.8	0	0	0	110.7	T111 E112 Y117	T111-I115 WeakPolarHBondContact O-CG1 3.39Å; T111-I115 PolarHBondContact O-N 3.17Å; T111-I115 VanDerWaalsContact O-N 3.11Å; E112-I115 PolarHBondContact O-N 3.27Å; I115-Y117 VanDerWaalsContact C-N 3.35Å; I115-Y117 PolarHBondContact O-N 2.67Å
116	T	92.2	Very high	93.8	Very high	86 Å²	86	58.8 Å²	58.8	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-37.3	-175.5	-59.4	0	0	0	0	113	E112	E112-T116 VanDerWaalsContact O-CB 3.28Å; E112-T116 WeakPolarHBondContact O-CB 3.29Å; E112-T116 PolarHBondContact O-N 3.5Å; E112-T116 PolarHBondContact O-OG1 3.41Å
117	Y	93.6	Very high	93.8	Very high	123 Å²	123	64.2 Å²	64.2	48%	0.482	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	29.9	-175.4	-56.9	-71.6	0	0	0	113.4	L113 I115 M119 L120 W121	L113-Y117 HydrophobicContact CD1-CD2 4.01Å; L113-Y117 HydrophobicContact CD1-CE2 4.24Å; L113-Y117 PolarHBondContact O-N 2.87Å; I115-Y117 VanDerWaalsContact C-N 3.35Å; I115-Y117 PolarHBondContact O-N 2.67Å; Y117-M119 VanDerWaalsContact C-N 3.34Å; Y117-M119 PolarHBondContact O-N 2.83Å; Y117-L120 WeakPolarHBondContact O-CB 3.18Å; Y117-L120 PolarHBondContact O-N 3.03Å; Y117-L120 VanDerWaalsContact O-N 3.11Å; Y117-W121 PolarHBondContact O-N 3.24Å; Y117-W121 VanDerWaalsContact O-N 3.12Å
118	Q	92.9	Very high	93.9	Very high	69 Å²	69	64.3 Å²	64.3	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-52.2	-45.4	-172.4	-177.4	169.1	-44.3	0	0	114.2	Q114 L120 W121 F122 I186	Q114-Q118 WeakPolarHBondContact O-CA 3.28Å; Q114-Q118 WeakPolarHBondContact O-CB 3.34Å; Q114-Q118 PolarHBondContact O-N 2.86Å; Q118-L120 PolarHBondContact O-N 3.35Å; Q118-W121 PolarHBondContact O-N 2.98Å; Q118-F122 HydrophobicContact CG-CD2 3.92Å; Q118-F122 HydrophobicContact CG-CE2 3.43Å; Q118-F122 VanDerWaalsContact CG-CE2 3.43Å; Q118-F122 HydrophobicContact CG-CZ 4.11Å; Q118-F122 WeakPolarHBondContact O-CD2 3.29Å; Q118-F122 PolarHBondContact O-N 3.36Å; Q118-F122 VanDerWaalsContact O-N 3.09Å; Q118-I186 HydrophobicContact CG-CD1 4.44Å
119	M	94.1	Very high	93.9	Very high	142 Å²	142	63.7 Å²	63.7	70%	0.7	32%	0.32	S	S	*	.	H	α-helix	trans	-66.4	-36.5	-178.8	-65.5	-55.7	-65.9	0	0	113.1	Y117 S123	Y117-M119 VanDerWaalsContact C-N 3.34Å; Y117-M119 PolarHBondContact O-N 2.83Å; M119-S123 PolarHBondContact O-N 3.21Å; M119-S123 VanDerWaalsContact O-N 3.15Å; M119-S123 PolarHBondContact O-OG 3.42Å
120	L	96	Very high	94	Very high	91 Å²	91	68 Å²	68	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-64	-44.9	175.2	174.1	64.8	0	0	0	110.2	Y117 Q118 S123 L124	Y117-L120 WeakPolarHBondContact O-CB 3.18Å; Y117-L120 PolarHBondContact O-N 3.03Å; Y117-L120 VanDerWaalsContact O-N 3.11Å; Q118-L120 PolarHBondContact O-N 3.35Å; L120-S123 WeakPolarHBondContact O-CB 3.32Å; L120-S123 PolarHBondContact O-N 2.88Å; L120-L124 HydrophobicContact CD1-CD1 4.11Å; L120-L124 HydrophobicContact CD1-CG 4.28Å; L120-L124 HydrophobicContact CG-CD1 4.11Å; L120-L124 WeakPolarHBondContact O-CG 3.4Å; L120-L124 PolarHBondContact O-N 3.49Å
121	W	95	Very high	94.1	Very high	33 Å²	33	68.3 Å²	68.3	13%	0.125	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-46.1	-179.8	-62.8	131.4	0	0	0	112.5	Y99 A103 R107 L113 Y117 Q118 S123 L124 D125	Y99-W121 HydrophobicContact CE2-CE3 4.24Å; Y99-W121 HydrophobicContact CE2-CZ3 4.17Å; A103-W121 HydrophobicContact CB-CZ3 4.22Å; R107-W121 HydrophobicContact CG-CD2 4.17Å; R107-W121 HydrophobicContact CG-CG 4.5Å; R107-W121 HydrophobicContact CG-CZ2 4.38Å; L113-W121 HydrophobicContact CD1-CZ2 4.17Å; L113-W121 HydrophobicContact CD2-CZ2 4.19Å; L113-W121 HydrophobicContact CG-CZ2 3.92Å; L113-W121 PolarHBondContact O-NE1 2.97Å; Y117-W121 PolarHBondContact O-N 3.24Å; Y117-W121 VanDerWaalsContact O-N 3.12Å; Q118-W121 PolarHBondContact O-N 2.98Å; W121-S123 VanDerWaalsContact C-N 3.28Å; W121-S123 PolarHBondContact O-N 3.16Å; W121-L124 HydrophobicContact CE3-CD1 4.09Å; W121-L124 HydrophobicContact CZ3-CD1 4.07Å; W121-L124 PolarHBondContact O-N 3.11Å; W121-D125 WeakPolarHBondContact O-CB 3.35Å; W121-D125 PolarHBondContact O-N 3.47Å
122	F	93	Very high	94.4	Very high	68 Å²	68	65.6 Å²	65.6	30%	0.298	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-37.7	175.9	-70.4	-42.9	0	0	0	112.9	Q118 D125 I126 I186	Q118-F122 HydrophobicContact CG-CD2 3.92Å; Q118-F122 HydrophobicContact CG-CE2 3.43Å; Q118-F122 VanDerWaalsContact CG-CE2 3.43Å; Q118-F122 HydrophobicContact CG-CZ 4.11Å; Q118-F122 WeakPolarHBondContact O-CD2 3.29Å; Q118-F122 PolarHBondContact O-N 3.36Å; Q118-F122 VanDerWaalsContact O-N 3.09Å; F122-D125 PolarHBondContact O-N 3.28Å; F122-I126 WeakPolarHBondContact O-CB 3.34Å; F122-I126 VanDerWaalsContact O-CG1 3.27Å; F122-I126 WeakPolarHBondContact O-CG1 3.45Å; F122-I126 PolarHBondContact O-N 3.18Å; F122-I186 HydrophobicContact CZ-CD1 4.24Å
123	S	96	Very high	94.7	Very high	73 Å²	73	65.3 Å²	65.3	51%	0.51	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177.1	-57.7	0	0	0	0	111.7	M119 L120 W121 F127	M119-S123 PolarHBondContact O-N 3.21Å; M119-S123 VanDerWaalsContact O-N 3.15Å; M119-S123 PolarHBondContact O-OG 3.42Å; L120-S123 WeakPolarHBondContact O-CB 3.32Å; L120-S123 PolarHBondContact O-N 2.88Å; W121-S123 VanDerWaalsContact C-N 3.28Å; W121-S123 PolarHBondContact O-N 3.16Å; S123-F127 VanDerWaalsContact O-CB 3.31Å; S123-F127 WeakPolarHBondContact O-CB 3.49Å; S123-F127 PolarHBondContact O-N 2.98Å
124	L	96.4	Very high	94.9	Very high	57 Å²	57	67.8 Å²	67.8	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-68.4	-39.3	177.4	-68.3	174.5	0	0	0	112.1	Y99 L120 W121 F127 T128	Y99-L124 HydrophobicContact CD2-CB 4.43Å; Y99-L124 HydrophobicContact CD2-CD1 4.39Å; Y99-L124 HydrophobicContact CE1-CB 4.34Å; Y99-L124 HydrophobicContact CE2-CB 3.65Å; Y99-L124 HydrophobicContact CE2-CD1 3.72Å; Y99-L124 HydrophobicContact CE2-CG 4.28Å; L120-L124 HydrophobicContact CD1-CD1 4.11Å; L120-L124 HydrophobicContact CD1-CG 4.28Å; L120-L124 HydrophobicContact CG-CD1 4.11Å; L120-L124 WeakPolarHBondContact O-CG 3.4Å; L120-L124 PolarHBondContact O-N 3.49Å; W121-L124 HydrophobicContact CE3-CD1 4.09Å; W121-L124 HydrophobicContact CZ3-CD1 4.07Å; W121-L124 PolarHBondContact O-N 3.11Å; L124-F127 PolarHBondContact O-N 3.08Å; L124-T128 WeakPolarHBondContact O-CG2 3.35Å; L124-T128 PolarHBondContact O-N 3.49Å; L124-T128 PolarHBondContact O-OG1 3.34Å
125	D	95.4	Very high	95.1	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.032	34%	0.34	C	S	.	.	H	α-helix	trans	-56.6	-55.6	175.8	-81.4	-20.3	0	0	0	110.3	Y99 R107 W121 F122 F127 T128 D129 R191	Y99-D125 WeakPolarHBondContact CE1-OD1 3.47Å; Y99-D125 PolarHBondContact OH-OD1 3.38Å; R107-D125 IonicContact CZ-OD1 3.2Å; R107-D125 IonicContact CZ-OD2 3.41Å; R107-D125 VanDerWaalsContact CZ-OD2 3.32Å; R107-D125 IonicContact NH1-OD1 3.32Å; R107-D125 PolarHBondContact NH1-OD1 2.96Å; R107-D125 IonicContact NH1-OD2 2.98Å; R107-D125 PolarHBondContact NH1-OD2 3.04Å; R107-D125 IonicContact NH2-OD2 3.37Å; R107-D125 PolarHBondContact NH2-OD2 3.1Å; W121-D125 WeakPolarHBondContact O-CB 3.35Å; W121-D125 PolarHBondContact O-N 3.47Å; F122-D125 PolarHBondContact O-N 3.28Å; D125-F127 VanDerWaalsContact C-N 3.33Å; D125-F127 PolarHBondContact O-N 3.29Å; D125-T128 PolarHBondContact O-N 3.17Å; D125-T128 PolarHBondContact O-OG1 3.38Å; D125-D129 PolarHBondContact O-N 3.04Å; D125-D129 VanDerWaalsContact O-OD2 3.11Å; D125-R191 VanDerWaalsContact CA-NH2 3.31Å; D125-R191 VanDerWaalsContact CB-CZ 3.46Å; D125-R191 VanDerWaalsContact CB-NH1 3.31Å; D125-R191 VanDerWaalsContact CG-CZ 3.43Å; D125-R191 PolarHBondContact O-NH2 3.31Å; D125-R191 VanDerWaalsContact OD1-CD 3.26Å; D125-R191 WeakPolarHBondContact OD1-CD 3.45Å; D125-R191 IonicContact OD1-CZ 2.7Å; D125-R191 IonicContact OD1-NE 3.99Å; D125-R191 PolarHBondContact OD1-NE 3.12Å; D125-R191 IonicContact OD1-NH1 3.43Å; D125-R191 IonicContact OD1-NH2 3.93Å
126	I	94.2	Very high	95.3	Very high	104 Å²	104	63 Å²	63	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-43.4	177.4	-67.4	167	0	0	0	111	F122 T128 D129 L130	F122-I126 WeakPolarHBondContact O-CB 3.34Å; F122-I126 VanDerWaalsContact O-CG1 3.27Å; F122-I126 WeakPolarHBondContact O-CG1 3.45Å; F122-I126 PolarHBondContact O-N 3.18Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.25Å; I126-D129 PolarHBondContact O-N 3.46Å; I126-L130 HydrophobicContact CG2-CD1 3.97Å; I126-L130 HydrophobicContact CG2-CG 4.21Å; I126-L130 WeakPolarHBondContact O-CB 3.27Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.32Å; I126-L130 PolarHBondContact O-N 3.05Å
127	F	96.5	Very high	95.4	Very high	124 Å²	124	64 Å²	64	54%	0.544	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-43.1	178.9	175.6	-97.5	0	0	0	112.5	S123 L124 D125 L130 T131	S123-F127 VanDerWaalsContact O-CB 3.31Å; S123-F127 WeakPolarHBondContact O-CB 3.49Å; S123-F127 PolarHBondContact O-N 2.98Å; L124-F127 PolarHBondContact O-N 3.08Å; D125-F127 VanDerWaalsContact C-N 3.33Å; D125-F127 PolarHBondContact O-N 3.29Å; F127-L130 PolarHBondContact O-N 3.29Å; F127-T131 PolarHBondContact O-N 2.89Å; F127-T131 PolarHBondContact O-OG1 2.94Å
128	T	96.3	Very high	95.4	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-69.4	-37.1	177.5	61.3	0	0	0	0	112.9	A96 Y99 N100 L124 D125 I126 T131 Y132 R191	A96-T128 HydrophobicContact CB-CG2 3.77Å; Y99-T128 HydrophobicContact CD1-CG2 3.45Å; Y99-T128 VanDerWaalsContact CD1-CG2 3.45Å; Y99-T128 HydrophobicContact CE1-CG2 4.12Å; Y99-T128 HydrophobicContact CG-CG2 3.98Å; N100-T128 PolarHBondContact ND2-OG1 3.26Å; L124-T128 WeakPolarHBondContact O-CG2 3.35Å; L124-T128 PolarHBondContact O-N 3.49Å; L124-T128 PolarHBondContact O-OG1 3.34Å; D125-T128 PolarHBondContact O-N 3.17Å; D125-T128 PolarHBondContact O-OG1 3.38Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.25Å; T128-T131 WeakPolarHBondContact O-CB 2.97Å; T128-T131 PolarHBondContact O-N 3.16Å; T128-Y132 PolarHBondContact O-N 3.07Å; T128-R191 PolarHBondContact OG1-NH2 2.84Å; T128-R191 VanDerWaalsContact OG1-NH2 3.07Å
129	D	95.6	Very high	95.4	Very high	25 Å²	25	55.6 Å²	55.6	13%	0.134	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-41.7	175.5	-67.1	-40.3	0	0	0	111	D125 I126 T131 Y132 L133 L174 R191 R194	D125-D129 PolarHBondContact O-N 3.04Å; D125-D129 VanDerWaalsContact O-OD2 3.11Å; I126-D129 PolarHBondContact O-N 3.46Å; D129-T131 VanDerWaalsContact C-N 3.34Å; D129-T131 PolarHBondContact O-N 2.94Å; D129-Y132 PolarHBondContact O-N 2.99Å; D129-Y132 VanDerWaalsContact O-N 3.16Å; D129-L133 WeakPolarHBondContact O-CG 3.13Å; D129-L133 PolarHBondContact O-N 2.92Å; D129-L174 HydrophobicContact CB-CD2 4.39Å; D129-R191 VanDerWaalsContact CG-NH2 3.29Å; D129-R191 IonicContact OD1-CZ 3.74Å; D129-R191 IonicContact OD1-NH2 3.6Å; D129-R191 PolarHBondContact OD1-NH2 3.22Å; D129-R191 IonicContact OD2-CZ 3.56Å; D129-R191 IonicContact OD2-NH1 2.82Å; D129-R191 PolarHBondContact OD2-NH1 2.83Å; D129-R191 IonicContact OD2-NH2 2.77Å; D129-R191 PolarHBondContact OD2-NH2 3.27Å; D129-R194 IonicContact OD1-CZ 3.24Å; D129-R194 IonicContact OD1-NE 3.75Å; D129-R194 PolarHBondContact OD1-NE 3.19Å; D129-R194 IonicContact OD1-NH2 3.69Å; D129-R194 IonicContact OD2-NH2 3.74Å
130	L	96.4	Very high	95.4	Very high	92 Å²	92	50 Å²	50	48%	0.482	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-42.2	172.1	-72.5	176.4	0	0	0	111.9	I126 F127 Y132 L133 I134	I126-L130 HydrophobicContact CG2-CD1 3.97Å; I126-L130 HydrophobicContact CG2-CG 4.21Å; I126-L130 WeakPolarHBondContact O-CB 3.27Å; I126-L130 VanDerWaalsContact O-CG 3.32Å; I126-L130 WeakPolarHBondContact O-CG 3.32Å; I126-L130 PolarHBondContact O-N 3.05Å; F127-L130 PolarHBondContact O-N 3.29Å; L130-Y132 PolarHBondContact O-N 2.89Å; L130-L133 HydrophobicContact CD2-CD1 4.4Å; L130-L133 PolarHBondContact O-N 3.23Å; L130-I134 VanDerWaalsContact O-CG1 3.31Å; L130-I134 WeakPolarHBondContact O-CG1 3.44Å; L130-I134 PolarHBondContact O-N 3.38Å
131	T	97	Very high	95.3	Very high	12 Å²	12	46.1 Å²	46.1	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-39.3	175.6	-59.4	0	0	0	0	111	W89 V93 A96 F127 T128 D129 D135	W89-T131 HydrophobicContact CH2-CG2 4.35Å; V93-T131 HydrophobicContact CG2-CG2 4.2Å; A96-T131 HydrophobicContact CB-CG2 4.1Å; F127-T131 PolarHBondContact O-N 2.89Å; F127-T131 PolarHBondContact O-OG1 2.94Å; T128-T131 WeakPolarHBondContact O-CB 2.97Å; T128-T131 PolarHBondContact O-N 3.16Å; D129-T131 VanDerWaalsContact C-N 3.34Å; D129-T131 PolarHBondContact O-N 2.94Å; T131-D135 WeakPolarHBondContact O-CB 3.26Å; T131-D135 PolarHBondContact O-N 3.46Å
132	Y	96.9	Very high	95.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-70.8	-39.6	177.6	-78.7	14.4	0	0	0	112.6	V93 A96 L97 T128 D129 L130 D135 I136 L174 R194 K197	V93-Y132 HydrophobicContact CG1-CE1 4.37Å; A96-Y132 HydrophobicContact CB-CD1 4.48Å; A96-Y132 HydrophobicContact CB-CE1 3.93Å; L97-Y132 VanDerWaalsContact CA-OH 3.31Å; L97-Y132 WeakPolarHBondContact CA-OH 3.46Å; L97-Y132 WeakPolarHBondContact CB-OH 3.48Å; L97-Y132 WeakPolarHBondContact CD1-OH 3.38Å; T128-Y132 PolarHBondContact O-N 3.07Å; D129-Y132 PolarHBondContact O-N 2.99Å; D129-Y132 VanDerWaalsContact O-N 3.16Å; L130-Y132 PolarHBondContact O-N 2.89Å; Y132-D135 WeakPolarHBondContact O-CB 3.43Å; Y132-D135 PolarHBondContact O-N 2.82Å; Y132-I136 PolarHBondContact O-N 3.47Å; Y132-I136 VanDerWaalsContact O-N 3.17Å; Y132-L174 HydrophobicContact CD2-CD2 4.49Å; Y132-R194 HydrophobicContact CE2-CB 3.96Å; Y132-R194 HydrophobicContact CE2-CG 4.2Å; Y132-R194 PolarHBondContact OH-O 3.04Å; Y132-K197 HydrophobicContact CD1-CD 4.03Å; Y132-K197 HydrophobicContact CD1-CG 4.46Å; Y132-K197 VanDerWaalsContact CD1-NZ 3.31Å; Y132-K197 HydrophobicContact CD2-CD 3.72Å; Y132-K197 HydrophobicContact CD2-CG 4.49Å; Y132-K197 HydrophobicContact CE1-CB 4.39Å; Y132-K197 HydrophobicContact CE1-CD 4.04Å; Y132-K197 HydrophobicContact CE1-CG 3.99Å; Y132-K197 HydrophobicContact CE2-CB 3.78Å; Y132-K197 HydrophobicContact CE2-CD 3.73Å; Y132-K197 HydrophobicContact CE2-CG 4.02Å; Y132-K197 HydrophobicContact CG-CD 3.87Å
133	L	96.1	Very high	95	Very high	97 Å²	97	42.9 Å²	42.9	51%	0.508	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-46.3	174	-74.3	167.6	0	0	0	111.9	D129 L130 D135 I136 F137 L174	D129-L133 WeakPolarHBondContact O-CG 3.13Å; D129-L133 PolarHBondContact O-N 2.92Å; L130-L133 HydrophobicContact CD2-CD1 4.4Å; L130-L133 PolarHBondContact O-N 3.23Å; L133-D135 PolarHBondContact O-N 3.09Å; L133-I136 PolarHBondContact O-N 3.27Å; L133-F137 PolarHBondContact O-N 3.37Å; L133-L174 HydrophobicContact CD2-CD1 3.75Å; L133-L174 HydrophobicContact CG-CD1 4.03Å; L133-L174 HydrophobicContact CG-CD2 4.24Å
134	I	95.9	Very high	94.7	Very high	90 Å²	90	41.6 Å²	41.6	46%	0.462	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-35.8	175.4	-63	168.4	0	0	0	110.2	W89 L130 I136 F137 V138	W89-I134 HydrophobicContact CH2-CB 3.79Å; W89-I134 HydrophobicContact CH2-CG2 3.36Å; W89-I134 HydrophobicContact CZ2-CB 4.14Å; W89-I134 HydrophobicContact CZ2-CG2 3.77Å; W89-I134 HydrophobicContact CZ3-CG2 4.15Å; L130-I134 VanDerWaalsContact O-CG1 3.31Å; L130-I134 WeakPolarHBondContact O-CG1 3.44Å; L130-I134 PolarHBondContact O-N 3.38Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 3.26Å; I134-F137 WeakPolarHBondContact O-CA 3.42Å; I134-F137 WeakPolarHBondContact O-CB 3.45Å; I134-F137 PolarHBondContact O-N 2.78Å; I134-F137 VanDerWaalsContact O-N 3.08Å; I134-V138 HydrophobicContact CG2-CG2 4.34Å; I134-V138 WeakPolarHBondContact O-CG2 3.37Å; I134-V138 PolarHBondContact O-N 3.17Å
135	D	96.4	Very high	94.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-33.4	179.3	-170.4	50	0	0	0	113.1	W89 V93 T131 Y132 L133 F137 V138 Q139 K197 R200	W89-D135 HydrophobicContact CZ2-CB 3.89Å; W89-D135 PolarHBondContact NE1-OD1 3.27Å; V93-D135 HydrophobicContact CG2-CB 4.01Å; T131-D135 WeakPolarHBondContact O-CB 3.26Å; T131-D135 PolarHBondContact O-N 3.46Å; Y132-D135 WeakPolarHBondContact O-CB 3.43Å; Y132-D135 PolarHBondContact O-N 2.82Å; L133-D135 PolarHBondContact O-N 3.09Å; D135-F137 VanDerWaalsContact C-N 3.31Å; D135-F137 PolarHBondContact O-N 2.97Å; D135-V138 PolarHBondContact O-N 3.36Å; D135-Q139 WeakPolarHBondContact O-CG 3.37Å; D135-Q139 PolarHBondContact O-N 3.28Å; D135-Q139 PolarHBondContact OD2-NE2 2.87Å; D135-K197 WeakPolarHBondContact OD2-CE 3.44Å; D135-K197 IonicContact OD2-NZ 3.65Å; D135-K197 PolarHBondContact OD2-NZ 2.99Å; D135-R200 VanDerWaalsContact CG-NH2 3.29Å; D135-R200 IonicContact OD1-CZ 2.83Å; D135-R200 IonicContact OD1-NE 2.86Å; D135-R200 IonicContact OD1-NH2 3.22Å; D135-R200 PolarHBondContact OD1-NH2 2.86Å; D135-R200 IonicContact OD2-CZ 3.89Å; D135-R200 IonicContact OD2-NE 3.75Å; D135-R200 PolarHBondContact OD2-NE 2.88Å; D135-R200 IonicContact OD2-NH2 2.94Å; D135-R200 PolarHBondContact OD2-NH2 3.19Å
136	I	95.6	Very high	94	Very high	26 Å²	26	49.5 Å²	49.5	13%	0.133	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-45.3	171.4	-66.7	179.4	0	0	0	109.9	Y132 L133 I134 V138 Q139 C140 Y161 D170 I171 L174	Y132-I136 PolarHBondContact O-N 3.47Å; Y132-I136 VanDerWaalsContact O-N 3.17Å; L133-I136 PolarHBondContact O-N 3.27Å; I134-I136 VanDerWaalsContact C-N 3.32Å; I134-I136 PolarHBondContact O-N 3.26Å; I136-V138 PolarHBondContact O-N 3.36Å; I136-Q139 PolarHBondContact O-N 2.92Å; I136-C140 PolarHBondContact O-N 3.01Å; I136-C140 PolarHBondContact O-SG 2.83Å; I136-C140 VanDerWaalsContact O-SG 3.36Å; I136-Y161 HydrophobicContact CG2-CE1 4.03Å; I136-D170 HydrophobicContact CD1-CB 4.05Å; I136-D170 HydrophobicContact CG1-CB 3.93Å; I136-I171 HydrophobicContact CD1-CD1 4.08Å; I136-L174 HydrophobicContact CD1-CD1 3.57Å; I136-L174 HydrophobicContact CG1-CD1 4.47Å
137	F	93.8	Very high	93.7	Very high	107 Å²	107	56 Å²	56	47%	0.469	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-42.1	175.8	178	-95.9	0	0	0	112.1	F77 L133 I134 D135 Q139 C140 N141	F77-F137 HydrophobicContact CD1-CE1 4.28Å; L133-F137 PolarHBondContact O-N 3.37Å; I134-F137 WeakPolarHBondContact O-CA 3.42Å; I134-F137 WeakPolarHBondContact O-CB 3.45Å; I134-F137 PolarHBondContact O-N 2.78Å; I134-F137 VanDerWaalsContact O-N 3.08Å; D135-F137 VanDerWaalsContact C-N 3.31Å; D135-F137 PolarHBondContact O-N 2.97Å; F137-Q139 VanDerWaalsContact C-N 3.31Å; F137-Q139 PolarHBondContact O-N 2.93Å; F137-C140 PolarHBondContact O-N 3.01Å; F137-N141 WeakPolarHBondContact CE1-ND2 3.19Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.22Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.36Å; F137-N141 PolarHBondContact O-N 3.15Å; F137-N141 PolarHBondContact O-ND2 3.11Å
138	V	93.8	Very high	93.2	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-39.7	175.1	173.4	0	0	0	0	111.2	F79 Y86 W89 I134 D135 I136 N141 T142	F79-V138 HydrophobicContact CB-CG1 4.41Å; F79-V138 HydrophobicContact CD1-CG1 4.23Å; F79-V138 HydrophobicContact CD2-CB 4.36Å; F79-V138 HydrophobicContact CD2-CG1 3.75Å; F79-V138 HydrophobicContact CD2-CG2 4.36Å; F79-V138 HydrophobicContact CE1-CG1 4.46Å; F79-V138 HydrophobicContact CE2-CB 4.27Å; F79-V138 HydrophobicContact CE2-CG1 4.01Å; F79-V138 HydrophobicContact CE2-CG2 3.79Å; F79-V138 HydrophobicContact CG-CG1 3.86Å; F79-V138 HydrophobicContact CZ-CG1 4.36Å; F79-V138 HydrophobicContact CZ-CG2 3.93Å; Y86-V138 HydrophobicContact CD2-CG1 4.47Å; Y86-V138 HydrophobicContact CE2-CG1 4.36Å; W89-V138 HydrophobicContact CD2-CG2 4.26Å; W89-V138 HydrophobicContact CG-CG1 4.41Å; W89-V138 HydrophobicContact CZ2-CG2 4.03Å; I134-V138 HydrophobicContact CG2-CG2 4.34Å; I134-V138 WeakPolarHBondContact O-CG2 3.37Å; I134-V138 PolarHBondContact O-N 3.17Å; D135-V138 PolarHBondContact O-N 3.36Å; I136-V138 PolarHBondContact O-N 3.36Å; V138-N141 CarbonylContact O-C 3.49Å; V138-N141 PolarHBondContact O-N 3.24Å; V138-T142 PolarHBondContact O-N 3.22Å; V138-T142 PolarHBondContact O-OG1 3.08Å
139	Q	93.8	Very high	92.8	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-41.4	177.4	-74.3	-175.6	92.5	0	0	113.2	D135 I136 F137 N141 T142 Y161 D170 Y199 R200	D135-Q139 WeakPolarHBondContact O-CG 3.37Å; D135-Q139 PolarHBondContact O-N 3.28Å; D135-Q139 PolarHBondContact OD2-NE2 2.87Å; I136-Q139 PolarHBondContact O-N 2.92Å; F137-Q139 VanDerWaalsContact C-N 3.31Å; F137-Q139 PolarHBondContact O-N 2.93Å; Q139-N141 PolarHBondContact O-N 2.96Å; Q139-N141 VanDerWaalsContact O-N 3.11Å; Q139-T142 PolarHBondContact O-N 3.49Å; Q139-T142 VanDerWaalsContact O-N 3.16Å; Q139-Y161 HydrophobicContact CB-CD1 4.04Å; Q139-Y161 HydrophobicContact CB-CD2 3.71Å; Q139-Y161 HydrophobicContact CB-CE1 3.85Å; Q139-Y161 HydrophobicContact CB-CE2 3.54Å; Q139-Y161 HydrophobicContact CB-CG 3.94Å; Q139-Y161 HydrophobicContact CG-CD2 4.42Å; Q139-Y161 HydrophobicContact CG-CE2 4.02Å; Q139-Y161 PolarHBondContact NE2-OH 3.48Å; Q139-Y161 VanDerWaalsContact OE1-CE2 3.28Å; Q139-D170 PolarHBondContact NE2-OD2 2.92Å; Q139-Y199 VanDerWaalsContact CD-OH 3.23Å; Q139-Y199 PolarHBondContact NE2-OH 3.4Å; Q139-Y199 PolarHBondContact OE1-OH 2.85Å; Q139-R200 VanDerWaalsContact CD-NE 3.3Å; Q139-R200 VanDerWaalsContact OE1-CZ 3.28Å
140	C	93.9	Very high	92.4	Very high	24 Å²	24	62.7 Å²	62.7	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-26.8	173	-73.4	0	0	0	0	112.4	I136 F137 L157 A158 Y161	I136-C140 PolarHBondContact O-N 3.01Å; I136-C140 PolarHBondContact O-SG 2.83Å; I136-C140 VanDerWaalsContact O-SG 3.36Å; F137-C140 PolarHBondContact O-N 3.01Å; C140-L157 CarbonylContact O-C 3.52Å; C140-L157 WeakPolarHBondContact O-CB 3.31Å; C140-A158 HydrophobicContact CB-CB 4.14Å; C140-A158 PolarHBondContact O-N 2.98Å; C140-Y161 VanDerWaalsContact SG-CD1 3.51Å
141	N	92.7	Very high	92	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.059	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	7.2	-178	-63.9	-50.7	0	0	0	114.3	F77 I78 F79 F137 V138 Q139 S143 H154	F77-N141 VanDerWaalsContact O-CB 3.3Å; F77-N141 WeakPolarHBondContact O-CB 3.47Å; I78-N141 WeakPolarHBondContact CA-O 3.32Å; F79-N141 HydrophobicContact CD2-CB 4.49Å; F79-N141 PolarHBondContact N-O 3.12Å; F79-N141 VanDerWaalsContact N-O 3.1Å; F137-N141 WeakPolarHBondContact CE1-ND2 3.19Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.22Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.36Å; F137-N141 PolarHBondContact O-N 3.15Å; F137-N141 PolarHBondContact O-ND2 3.11Å; V138-N141 CarbonylContact O-C 3.49Å; V138-N141 PolarHBondContact O-N 3.24Å; Q139-N141 PolarHBondContact O-N 2.96Å; Q139-N141 VanDerWaalsContact O-N 3.11Å; N141-S143 PolarHBondContact O-N 2.79Å; N141-H154 PolarHBondContact OD1-ND1 2.99Å
142	T	92.4	Very high	91.4	Very high	28 Å²	28	65.9 Å²	65.9	17%	0.172	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-80.1	120	179.5	-64.4	0	0	0	0	110.7	Y86 V138 Q139	Y86-T142 HydrophobicContact CE2-CG2 3.91Å; V138-T142 PolarHBondContact O-N 3.22Å; V138-T142 PolarHBondContact O-OG1 3.08Å; Q139-T142 PolarHBondContact O-N 3.49Å; Q139-T142 VanDerWaalsContact O-N 3.16Å
143	S	89.9	Confident	91	Very high	4 Å²	4	69 Å²	69	3%	0.028	34%	0.338	C	S	.	.			trans	-70	151.4	-179.7	58	0	0	0	0	113.1	F79 H80 N141	F79-S143 PolarHBondContact O-N 3.26Å; F79-S143 PolarHBondContact O-OG 3.06Å; H80-S143 WeakPolarHBondContact CA-OG 3.22Å; H80-S143 PolarHBondContact ND1-OG 3.09Å; N141-S143 PolarHBondContact O-N 2.79Å
144	Y	89	Confident	90.7	Very high	47 Å²	47	66 Å²	66	18%	0.184	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.5	174.1	67.8	-97.5	0	0	0	111.5	K146 V151 L157 R160	Y144-K146 HydrophobicContact CD2-CB 4.32Å; Y144-K146 HydrophobicContact CE2-CB 3.9Å; Y144-K146 HydrophobicContact CE2-CD 4.49Å; Y144-V151 HydrophobicContact CD1-CB 4.46Å; Y144-V151 HydrophobicContact CD2-CB 4.46Å; Y144-V151 HydrophobicContact CD2-CG2 4.11Å; Y144-V151 HydrophobicContact CE1-CB 4.14Å; Y144-V151 HydrophobicContact CE1-CG1 4.23Å; Y144-V151 HydrophobicContact CE1-CG2 4.48Å; Y144-V151 HydrophobicContact CE2-CB 4.18Å; Y144-V151 HydrophobicContact CE2-CG2 3.66Å; Y144-V151 PolarHBondContact O-N 2.95Å; Y144-L157 HydrophobicContact CD1-CD2 3.44Å; Y144-L157 VanDerWaalsContact CD1-CD2 3.44Å; Y144-L157 HydrophobicContact CE1-CD2 3.56Å; Y144-R160 HydrophobicContact CE1-CB 4.48Å
145	L	88.9	Confident	90.5	Very high	103 Å²	103	69.2 Å²	69.2	54%	0.539	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127	176.5	-64.9	169.5	0	0	0	110.7	L149 K150	L145-L149 WeakPolarHBondContact CA-O 3.3Å; L145-K150 HydrophobicContact CD2-CB 4.49Å; L145-K150 HydrophobicContact CD2-CG 3.6Å
146	K	88.2	Confident	90.3	Very high	126 Å²	126	75.2 Å²	75.2	55%	0.548	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.8	168.4	-171.3	173.4	-179.3	176.7	0	108.1	Y144 G148 L149 V151	Y144-K146 HydrophobicContact CD2-CB 4.32Å; Y144-K146 HydrophobicContact CE2-CB 3.9Å; Y144-K146 HydrophobicContact CE2-CD 4.49Å; K146-G148 VanDerWaalsContact C-N 3.26Å; K146-G148 PolarHBondContact O-N 3.33Å; K146-L149 PolarHBondContact N-O 3.31Å; K146-L149 PolarHBondContact O-N 3.2Å; K146-L149 VanDerWaalsContact O-N 3.09Å; K146-V151 HydrophobicContact CB-CG2 3.66Å
147	R	88.6	Confident	90.2	Very high	240 Å²	240	74.2 Å²	74.2	91%	0.906	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	42.3	-173.9	-57.3	178.6	176.4	177.2	-3.1	112.3	L149	R147-L149 PolarHBondContact O-N 2.97Å
148	G	85.9	Confident	90.2	Very high	67 Å²	67	70.2 Å²	70.2	69%	0.691	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	-12.6	-176.9	0	0	0	0	0	115.7	K146	K146-G148 VanDerWaalsContact C-N 3.26Å; K146-G148 PolarHBondContact O-N 3.33Å
149	L	88.1	Confident	90.2	Very high	129 Å²	129	76.3 Å²	76.3	68%	0.675	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	138	-179.8	-61.6	175	0	0	0	111.4	L145 K146 R147 V151	L145-L149 WeakPolarHBondContact CA-O 3.3Å; K146-L149 PolarHBondContact N-O 3.31Å; K146-L149 PolarHBondContact O-N 3.2Å; K146-L149 VanDerWaalsContact O-N 3.09Å; R147-L149 PolarHBondContact O-N 2.97Å; L149-V151 PolarHBondContact O-N 3.11Å
150	K	86.2	Confident	90.2	Very high	97 Å²	97	82.4 Å²	82.4	42%	0.422	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.2	174.3	-69.5	179.7	-178.7	174	0	109.6	L145 R152	L145-K150 HydrophobicContact CD2-CB 4.49Å; L145-K150 HydrophobicContact CD2-CG 3.6Å; K150-R152 PolarHBondContact O-N 3.39Å
151	V	88.8	Confident	90.2	Very high	26 Å²	26	82 Å²	82	16%	0.158	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.7	173.7	-179	0	0	0	0	109	Y144 K146 L149 K156 L157	Y144-V151 HydrophobicContact CD1-CB 4.46Å; Y144-V151 HydrophobicContact CD2-CB 4.46Å; Y144-V151 HydrophobicContact CD2-CG2 4.11Å; Y144-V151 HydrophobicContact CE1-CB 4.14Å; Y144-V151 HydrophobicContact CE1-CG1 4.23Å; Y144-V151 HydrophobicContact CE1-CG2 4.48Å; Y144-V151 HydrophobicContact CE2-CB 4.18Å; Y144-V151 HydrophobicContact CE2-CG2 3.66Å; Y144-V151 PolarHBondContact O-N 2.95Å; K146-V151 HydrophobicContact CB-CG2 3.66Å; L149-V151 PolarHBondContact O-N 3.11Å; V151-K156 HydrophobicContact CG1-CB 4.42Å; V151-L157 HydrophobicContact CB-CD2 4.47Å; V151-L157 HydrophobicContact CG1-CD2 4.34Å
152	R	84.9	Confident	90.4	Very high	145 Å²	145	86.5 Å²	86.5	55%	0.547	41%	0.408	S	S	.	.			trans	-108.7	-9.9	-177.5	-67.9	-174.6	-179.9	178.6	-0.8	114.9	I78 K150 H154	I78-R152 HydrophobicContact CD1-CB 3.63Å; I78-R152 HydrophobicContact CD1-CG 4.01Å; I78-R152 WeakPolarHBondContact CD1-O 3.36Å; K150-R152 PolarHBondContact O-N 3.39Å; R152-H154 PolarHBondContact O-N 3.13Å
153	N	88.7	Confident	90.5	Very high	67 Å²	67	93.2 Å²	93.2	36%	0.358	44%	0.435	S	S	.	.			trans	-73.6	113.8	-177	178.3	-41.1	0	0	0	111.6	Q155 K156 L157	N153-Q155 PolarHBondContact O-N 2.89Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.31Å; N153-Q155 PolarHBondContact OD1-N 2.98Å; N153-K156 HydrophobicContact CB-CB 4.25Å; N153-K156 HydrophobicContact CB-CD 4.14Å; N153-K156 HydrophobicContact CB-CG 4.19Å; N153-K156 WeakPolarHBondContact O-CB 3.46Å; N153-K156 PolarHBondContact O-N 3.3Å; N153-K156 VanDerWaalsContact O-N 3.07Å; N153-K156 PolarHBondContact OD1-N 3.41Å; N153-L157 WeakPolarHBondContact O-CG 3.48Å; N153-L157 PolarHBondContact O-N 3.36Å
154	H	89.5	Confident	90.7	Very high	34 Å²	34	94.8 Å²	94.8	16%	0.157	45%	0.445	C	S	.	.	H	α-helix	trans	-53.7	-43.3	-178.7	-64	-86.5	0	0	0	114.5	M74 I78 N141 R152 K156 L157 A158	M74-H154 VanDerWaalsContact CB-NE2 3.33Å; M74-H154 WeakPolarHBondContact CB-NE2 3.37Å; M74-H154 PolarHBondContact O-CE1 3.26Å; M74-H154 VanDerWaalsContact O-CE1 3.26Å; M74-H154 PolarHBondContact O-NE2 3.24Å; M74-H154 VanDerWaalsContact O-NE2 3.08Å; I78-H154 VanDerWaalsContact CG1-CE1 3.44Å; I78-H154 WeakPolarHBondContact CG1-CE1 3.46Å; N141-H154 PolarHBondContact OD1-ND1 2.99Å; R152-H154 PolarHBondContact O-N 3.13Å; H154-K156 VanDerWaalsContact C-N 3.29Å; H154-K156 PolarHBondContact O-N 2.92Å; H154-L157 PolarHBondContact O-N 3.22Å; H154-L157 VanDerWaalsContact O-N 3.14Å; H154-A158 WeakPolarHBondContact O-CB 3.49Å; H154-A158 PolarHBondContact O-N 3.12Å
155	Q	91.6	Very high	91	Very high	157 Å²	157	99.7 Å²	99.7	73%	0.734	47%	0.465	S	S	*	.	H	α-helix	trans	-62.7	-38.9	179	-64.4	176.8	-14.3	0	0	111.3	N153 K159	N153-Q155 PolarHBondContact O-N 2.89Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.31Å; N153-Q155 PolarHBondContact OD1-N 2.98Å; Q155-K159 WeakPolarHBondContact O-CB 3.44Å; Q155-K159 PolarHBondContact O-N 3.37Å
156	K	91.7	Very high	91.3	Very high	126 Å²	126	97.8 Å²	97.8	55%	0.548	45%	0.452	S	S	.	.	H	α-helix	trans	-70.2	-34.2	176.2	-66.3	-176.7	-177.7	174.9	0	112	V151 N153 H154 R160	V151-K156 HydrophobicContact CG1-CB 4.42Å; N153-K156 HydrophobicContact CB-CB 4.25Å; N153-K156 HydrophobicContact CB-CD 4.14Å; N153-K156 HydrophobicContact CB-CG 4.19Å; N153-K156 WeakPolarHBondContact O-CB 3.46Å; N153-K156 PolarHBondContact O-N 3.3Å; N153-K156 VanDerWaalsContact O-N 3.07Å; N153-K156 PolarHBondContact OD1-N 3.41Å; H154-K156 VanDerWaalsContact C-N 3.29Å; H154-K156 PolarHBondContact O-N 2.92Å; K156-R160 WeakPolarHBondContact O-CB 3.5Å; K156-R160 PolarHBondContact O-N 3.32Å
157	L	92.8	Very high	91.7	Very high	4 Å²	4	94.3 Å²	94.3	2%	0.021	44%	0.437	C	S	.	.	H	α-helix	trans	-67.9	-54.3	175.5	-61	-178	0	0	0	110.5	I78 C140 Y144 V151 N153 H154 K159 R160 Y161	I78-L157 HydrophobicContact CG2-CD1 4.44Å; C140-L157 CarbonylContact O-C 3.52Å; C140-L157 WeakPolarHBondContact O-CB 3.31Å; Y144-L157 HydrophobicContact CD1-CD2 3.44Å; Y144-L157 VanDerWaalsContact CD1-CD2 3.44Å; Y144-L157 HydrophobicContact CE1-CD2 3.56Å; V151-L157 HydrophobicContact CB-CD2 4.47Å; V151-L157 HydrophobicContact CG1-CD2 4.34Å; N153-L157 WeakPolarHBondContact O-CG 3.48Å; N153-L157 PolarHBondContact O-N 3.36Å; H154-L157 PolarHBondContact O-N 3.22Å; H154-L157 VanDerWaalsContact O-N 3.14Å; L157-K159 PolarHBondContact O-N 2.74Å; L157-R160 WeakPolarHBondContact O-CB 3.42Å; L157-R160 PolarHBondContact O-N 2.97Å; L157-Y161 PolarHBondContact O-N 2.97Å
158	A	94.3	Very high	92.1	Very high	23 Å²	23	88.4 Å²	88.4	19%	0.19	42%	0.423	C	S	.	.	H	α-helix	trans	-58.9	-49.1	179.4	0	0	0	0	0	112.1	C140 H154 R160 Y161 M162	C140-A158 HydrophobicContact CB-CB 4.14Å; C140-A158 PolarHBondContact O-N 2.98Å; H154-A158 WeakPolarHBondContact O-CB 3.49Å; H154-A158 PolarHBondContact O-N 3.12Å; A158-R160 VanDerWaalsContact C-N 3.26Å; A158-R160 PolarHBondContact O-N 3.4Å; A158-Y161 PolarHBondContact O-N 3.4Å; A158-Y161 VanDerWaalsContact O-N 3.12Å; A158-M162 WeakPolarHBondContact O-CB 3.37Å; A158-M162 VanDerWaalsContact O-CG 3.32Å; A158-M162 WeakPolarHBondContact O-CG 3.23Å; A158-M162 PolarHBondContact O-N 2.87Å
159	K	94.7	Very high	92.6	Very high	133 Å²	133	87.4 Å²	87.4	58%	0.578	40%	0.401	S	S	*	.	H	α-helix	trans	-59.7	-35.8	177.8	-173.3	173.7	-174	170.9	0	112.5	Q155 L157 K163	Q155-K159 WeakPolarHBondContact O-CB 3.44Å; Q155-K159 PolarHBondContact O-N 3.37Å; L157-K159 PolarHBondContact O-N 2.74Å; K159-K163 WeakPolarHBondContact O-CB 3.16Å; K159-K163 WeakPolarHBondContact O-CG 3.38Å; K159-K163 PolarHBondContact O-N 3.07Å
160	R	93.6	Very high	93	Very high	139 Å²	139	81.2 Å²	81.2	53%	0.525	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-45.2	176.2	-179.7	-178	176.5	179.2	-0.8	111	Y144 K156 L157 A158 S164	Y144-R160 HydrophobicContact CE1-CB 4.48Å; K156-R160 WeakPolarHBondContact O-CB 3.5Å; K156-R160 PolarHBondContact O-N 3.32Å; L157-R160 WeakPolarHBondContact O-CB 3.42Å; L157-R160 PolarHBondContact O-N 2.97Å; A158-R160 VanDerWaalsContact C-N 3.26Å; A158-R160 PolarHBondContact O-N 3.4Å; R160-S164 PolarHBondContact O-N 2.9Å
161	Y	94.7	Very high	93.5	Very high	15 Å²	15	80.1 Å²	80.1	6%	0.059	37%	0.367	C	S	.	.	H	α-helix	trans	-65.1	-46.8	178.8	164.4	-113.7	0	0	0	111.7	I136 Q139 C140 L157 A158 K163 S164 K166 F167 D170	I136-Y161 HydrophobicContact CG2-CE1 4.03Å; Q139-Y161 HydrophobicContact CB-CD1 4.04Å; Q139-Y161 HydrophobicContact CB-CD2 3.71Å; Q139-Y161 HydrophobicContact CB-CE1 3.85Å; Q139-Y161 HydrophobicContact CB-CE2 3.54Å; Q139-Y161 HydrophobicContact CB-CG 3.94Å; Q139-Y161 HydrophobicContact CG-CD2 4.42Å; Q139-Y161 HydrophobicContact CG-CE2 4.02Å; Q139-Y161 PolarHBondContact NE2-OH 3.48Å; Q139-Y161 VanDerWaalsContact OE1-CE2 3.28Å; C140-Y161 VanDerWaalsContact SG-CD1 3.51Å; L157-Y161 PolarHBondContact O-N 2.97Å; A158-Y161 PolarHBondContact O-N 3.4Å; A158-Y161 VanDerWaalsContact O-N 3.12Å; Y161-K163 PolarHBondContact O-N 3.21Å; Y161-S164 WeakPolarHBondContact O-CA 3.13Å; Y161-S164 WeakPolarHBondContact O-CB 3.25Å; Y161-S164 PolarHBondContact O-N 3.08Å; Y161-K166 HydrophobicContact CD2-CB 4.41Å; Y161-K166 HydrophobicContact CE2-CB 4.14Å; Y161-F167 HydrophobicContact CD1-CD2 4.21Å; Y161-F167 HydrophobicContact CD2-CB 4.39Å; Y161-F167 HydrophobicContact CE1-CB 4.25Å; Y161-F167 AromaticContact CE1-CD2 3.49Å; Y161-F167 HydrophobicContact CE1-CD2 3.49Å; Y161-F167 VanDerWaalsContact CE1-CD2 3.49Å; Y161-F167 HydrophobicContact CE1-CE2 4.29Å; Y161-F167 HydrophobicContact CE1-CG 4.3Å; Y161-F167 HydrophobicContact CE2-CB 4.03Å; Y161-F167 AromaticContact CZ-CD2 3.72Å; Y161-F167 WeakPolarHBondContact O-CB 3.32Å; Y161-D170 WeakPolarHBondContact CE2-OD2 3.43Å; Y161-D170 PolarHBondContact OH-OD2 3.36Å
162	M	95.5	Very high	93.8	Very high	107 Å²	107	80.7 Å²	80.7	53%	0.527	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-29.4	179	-69.5	176.4	73.7	0	0	113.7	A158 S164 F167	A158-M162 WeakPolarHBondContact O-CB 3.37Å; A158-M162 VanDerWaalsContact O-CG 3.32Å; A158-M162 WeakPolarHBondContact O-CG 3.23Å; A158-M162 PolarHBondContact O-N 2.87Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-F167 HydrophobicContact CB-CD1 4.35Å; M162-F167 HydrophobicContact CB-CG 4.47Å; M162-F167 HydrophobicContact CE-CZ 4.46Å; M162-F167 HydrophobicContact CG-CD2 4.4Å; M162-F167 HydrophobicContact CG-CE2 4.36Å; M162-F167 HydrophobicContact CG-CG 4.48Å; M162-F167 HydrophobicContact CG-CZ 4.43Å
163	K	94.8	Very high	94.3	Very high	169 Å²	169	73.8 Å²	73.8	74%	0.735	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.2	174	-73.3	-172.3	173.9	-157.3	0	113.8	K159 Y161	K159-K163 WeakPolarHBondContact O-CB 3.16Å; K159-K163 WeakPolarHBondContact O-CG 3.38Å; K159-K163 PolarHBondContact O-N 3.07Å; Y161-K163 PolarHBondContact O-N 3.21Å
164	S	94.5	Very high	94.6	Very high	36 Å²	36	72.3 Å²	72.3	25%	0.252	34%	0.336	S	S	.	.	S	Bend	trans	-84.6	147.5	179.6	-175.3	0	0	0	0	110.4	R160 Y161 M162 K166 F167	R160-S164 PolarHBondContact O-N 2.9Å; Y161-S164 WeakPolarHBondContact O-CA 3.13Å; Y161-S164 WeakPolarHBondContact O-CB 3.25Å; Y161-S164 PolarHBondContact O-N 3.08Å; M162-S164 VanDerWaalsContact C-N 3.32Å; S164-K166 PolarHBondContact O-N 2.91Å; S164-K166 PolarHBondContact OG-N 3.4Å; S164-F167 PolarHBondContact O-N 2.91Å
165	Y	95.4	Very high	94.8	Very high	150 Å²	150	74.4 Å²	74.4	59%	0.588	35%	0.348	S	S	*	.	H	α-helix	trans	-54.6	-24.4	170.7	74.4	-87.6	0	0	0	112.8	F167 L168 L169	Y165-F167 VanDerWaalsContact C-N 3.32Å; Y165-F167 PolarHBondContact O-N 3.14Å; Y165-L168 WeakPolarHBondContact O-CB 3.47Å; Y165-L168 PolarHBondContact O-N 2.94Å; Y165-L169 HydrophobicContact CD2-CD1 3.72Å; Y165-L169 HydrophobicContact CD2-CG 4.34Å; Y165-L169 HydrophobicContact CE2-CD1 3.85Å; Y165-L169 WeakPolarHBondContact O-CG 3.17Å; Y165-L169 PolarHBondContact O-N 2.8Å
166	K	95.3	Very high	94.8	Very high	63 Å²	63	70.9 Å²	70.9	27%	0.274	34%	0.339	S	S	.	.	H	α-helix	trans	-57.2	-43.6	175.7	-63.7	-179	178.5	-168.4	0	112.4	Y161 S164 L168 L169 D170 Y199	Y161-K166 HydrophobicContact CD2-CB 4.41Å; Y161-K166 HydrophobicContact CE2-CB 4.14Å; S164-K166 PolarHBondContact O-N 2.91Å; S164-K166 PolarHBondContact OG-N 3.4Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.31Å; K166-L169 PolarHBondContact O-N 3.17Å; K166-D170 VanDerWaalsContact O-CG 3.31Å; K166-D170 PolarHBondContact O-N 3.44Å; K166-Y199 HydrophobicContact CB-CE2 4.08Å; K166-Y199 HydrophobicContact CD-CD2 4.31Å; K166-Y199 HydrophobicContact CD-CE2 3.78Å; K166-Y199 HydrophobicContact CG-CD2 4.19Å; K166-Y199 HydrophobicContact CG-CE2 3.8Å
167	F	96.3	Very high	94.7	Very high	54 Å²	54	67.5 Å²	67.5	24%	0.237	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-41.5	178.8	176.5	-110.4	0	0	0	111.3	Y161 M162 S164 Y165 L169 D170 I171	Y161-F167 HydrophobicContact CD1-CD2 4.21Å; Y161-F167 HydrophobicContact CD2-CB 4.39Å; Y161-F167 HydrophobicContact CE1-CB 4.25Å; Y161-F167 AromaticContact CE1-CD2 3.49Å; Y161-F167 HydrophobicContact CE1-CD2 3.49Å; Y161-F167 VanDerWaalsContact CE1-CD2 3.49Å; Y161-F167 HydrophobicContact CE1-CE2 4.29Å; Y161-F167 HydrophobicContact CE1-CG 4.3Å; Y161-F167 HydrophobicContact CE2-CB 4.03Å; Y161-F167 AromaticContact CZ-CD2 3.72Å; Y161-F167 WeakPolarHBondContact O-CB 3.32Å; M162-F167 HydrophobicContact CB-CD1 4.35Å; M162-F167 HydrophobicContact CB-CG 4.47Å; M162-F167 HydrophobicContact CE-CZ 4.46Å; M162-F167 HydrophobicContact CG-CD2 4.4Å; M162-F167 HydrophobicContact CG-CE2 4.36Å; M162-F167 HydrophobicContact CG-CG 4.48Å; M162-F167 HydrophobicContact CG-CZ 4.43Å; S164-F167 PolarHBondContact O-N 2.91Å; Y165-F167 VanDerWaalsContact C-N 3.32Å; Y165-F167 PolarHBondContact O-N 3.14Å; F167-L169 PolarHBondContact O-N 3.19Å; F167-D170 PolarHBondContact O-N 2.73Å; F167-I171 HydrophobicContact CD1-CG1 4.42Å; F167-I171 HydrophobicContact CD2-CG1 4.17Å; F167-I171 HydrophobicContact CE1-CG1 4.01Å; F167-I171 HydrophobicContact CE2-CD1 3.82Å; F167-I171 HydrophobicContact CE2-CG1 3.76Å; F167-I171 HydrophobicContact CG-CG1 4.5Å; F167-I171 HydrophobicContact CZ-CD1 3.88Å; F167-I171 HydrophobicContact CZ-CG1 3.67Å; F167-I171 WeakPolarHBondContact O-CG1 3.41Å; F167-I171 PolarHBondContact O-N 3.11Å
168	L	96.1	Very high	94.5	Very high	115 Å²	115	68.8 Å²	68.8	60%	0.602	33%	0.334	S	S	*	.	H	α-helix	trans	-59.4	-46.8	174.3	-179.2	62.4	0	0	0	111.3	Y165 K166 D170 I171 T172	Y165-L168 WeakPolarHBondContact O-CB 3.47Å; Y165-L168 PolarHBondContact O-N 2.94Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.31Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 2.78Å; L168-I171 PolarHBondContact O-N 2.73Å; L168-T172 HydrophobicContact CD1-CG2 4.2Å; L168-T172 HydrophobicContact CG-CG2 4.49Å; L168-T172 VanDerWaalsContact O-CG2 3.31Å; L168-T172 WeakPolarHBondContact O-CG2 3.37Å; L168-T172 PolarHBondContact O-N 3.22Å; L168-T172 PolarHBondContact O-OG1 2.97Å
169	L	96.8	Very high	94.2	Very high	46 Å²	46	72.9 Å²	72.9	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-58.1	-44.4	176.1	-67.5	177.2	0	0	0	112	Y165 K166 F167 T172 S173 L196 Y199	Y165-L169 HydrophobicContact CD2-CD1 3.72Å; Y165-L169 HydrophobicContact CD2-CG 4.34Å; Y165-L169 HydrophobicContact CE2-CD1 3.85Å; Y165-L169 WeakPolarHBondContact O-CG 3.17Å; Y165-L169 PolarHBondContact O-N 2.8Å; K166-L169 PolarHBondContact O-N 3.17Å; F167-L169 PolarHBondContact O-N 3.19Å; L169-T172 WeakPolarHBondContact CA-OG1 3.5Å; L169-T172 PolarHBondContact O-N 2.96Å; L169-T172 PolarHBondContact O-OG1 2.7Å; L169-S173 WeakPolarHBondContact O-CB 3.31Å; L169-S173 PolarHBondContact O-N 2.98Å; L169-L196 HydrophobicContact CD2-CB 4.42Å; L169-L196 HydrophobicContact CD2-CD2 4.48Å; L169-Y199 HydrophobicContact CB-CD1 4.44Å; L169-Y199 HydrophobicContact CB-CE1 4.32Å; L169-Y199 HydrophobicContact CD1-CD1 3.93Å; L169-Y199 HydrophobicContact CD1-CG 4.46Å
170	D	96.6	Very high	94.1	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-44.6	179.9	-68.8	-39.5	0	0	0	112.6	I136 Q139 Y161 K166 F167 L168 S173 L174 K197 Y199	I136-D170 HydrophobicContact CD1-CB 4.05Å; I136-D170 HydrophobicContact CG1-CB 3.93Å; Q139-D170 PolarHBondContact NE2-OD2 2.92Å; Y161-D170 WeakPolarHBondContact CE2-OD2 3.43Å; Y161-D170 PolarHBondContact OH-OD2 3.36Å; K166-D170 VanDerWaalsContact O-CG 3.31Å; K166-D170 PolarHBondContact O-N 3.44Å; F167-D170 PolarHBondContact O-N 2.73Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 2.78Å; D170-S173 PolarHBondContact O-N 3.1Å; D170-S173 PolarHBondContact O-OG 3.35Å; D170-L174 PolarHBondContact O-N 2.94Å; D170-K197 WeakPolarHBondContact OD1-CD 3.26Å; D170-K197 WeakPolarHBondContact OD1-CE 3.41Å; D170-Y199 VanDerWaalsContact CG-OH 3.25Å; D170-Y199 WeakPolarHBondContact OD1-CE1 3.31Å; D170-Y199 PolarHBondContact OD1-OH 3.31Å; D170-Y199 PolarHBondContact OD2-OH 3.5Å
171	I	96.3	Very high	93.8	Very high	74 Å²	74	65.3 Å²	65.3	38%	0.379	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-43.5	176.8	-64.3	-60.8	0	0	0	110.8	I136 F167 L168 S173 L174 L175	I136-I171 HydrophobicContact CD1-CD1 4.08Å; F167-I171 HydrophobicContact CD1-CG1 4.42Å; F167-I171 HydrophobicContact CD2-CG1 4.17Å; F167-I171 HydrophobicContact CE1-CG1 4.01Å; F167-I171 HydrophobicContact CE2-CD1 3.82Å; F167-I171 HydrophobicContact CE2-CG1 3.76Å; F167-I171 HydrophobicContact CG-CG1 4.5Å; F167-I171 HydrophobicContact CZ-CD1 3.88Å; F167-I171 HydrophobicContact CZ-CG1 3.67Å; F167-I171 WeakPolarHBondContact O-CG1 3.41Å; F167-I171 PolarHBondContact O-N 3.11Å; L168-I171 PolarHBondContact O-N 2.73Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 2.91Å; I171-L174 PolarHBondContact O-N 2.94Å; I171-L175 PolarHBondContact O-N 3.45Å
172	T	95.2	Very high	93.5	Very high	38 Å²	38	73.5 Å²	73.5	23%	0.233	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-32	176.5	55.6	0	0	0	0	112.8	L168 L169 L174 L175 L196	L168-T172 HydrophobicContact CD1-CG2 4.2Å; L168-T172 HydrophobicContact CG-CG2 4.49Å; L168-T172 VanDerWaalsContact O-CG2 3.31Å; L168-T172 WeakPolarHBondContact O-CG2 3.37Å; L168-T172 PolarHBondContact O-N 3.22Å; L168-T172 PolarHBondContact O-OG1 2.97Å; L169-T172 WeakPolarHBondContact CA-OG1 3.5Å; L169-T172 PolarHBondContact O-N 2.96Å; L169-T172 PolarHBondContact O-OG1 2.7Å; T172-L174 PolarHBondContact O-N 3.43Å; T172-L175 WeakPolarHBondContact O-CG 3.15Å; T172-L175 PolarHBondContact O-N 2.87Å; T172-L196 VanDerWaalsContact OG1-CD1 3.24Å; T172-L196 WeakPolarHBondContact OG1-CD1 3.46Å
173	S	95.7	Very high	93.3	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-70	-21.9	177.7	79.3	0	0	0	0	113.5	L169 D170 I171 P193 R194	L169-S173 WeakPolarHBondContact O-CB 3.31Å; L169-S173 PolarHBondContact O-N 2.98Å; D170-S173 PolarHBondContact O-N 3.1Å; D170-S173 PolarHBondContact O-OG 3.35Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 2.91Å; S173-P193 WeakPolarHBondContact CA-O 3.23Å; S173-R194 VanDerWaalsContact O-CD 3.27Å; S173-R194 WeakPolarHBondContact O-CD 3.4Å; S173-R194 VanDerWaalsContact O-CG 3.32Å; S173-R194 WeakPolarHBondContact O-CG 3.19Å; S173-R194 PolarHBondContact O-NE 3.3Å
174	L	94.9	Very high	93	Very high	35 Å²	35	74.2 Å²	74.2	18%	0.183	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	13.4	-178.3	-80.1	170.5	0	0	0	113.3	D129 Y132 L133 I136 D170 I171 T172	D129-L174 HydrophobicContact CB-CD2 4.39Å; Y132-L174 HydrophobicContact CD2-CD2 4.49Å; L133-L174 HydrophobicContact CD2-CD1 3.75Å; L133-L174 HydrophobicContact CG-CD1 4.03Å; L133-L174 HydrophobicContact CG-CD2 4.24Å; I136-L174 HydrophobicContact CD1-CD1 3.57Å; I136-L174 HydrophobicContact CG1-CD1 4.47Å; D170-L174 PolarHBondContact O-N 2.94Å; I171-L174 PolarHBondContact O-N 2.94Å; T172-L174 PolarHBondContact O-N 3.43Å
175	L	93.2	Very high	92.7	Very high	78 Å²	78	74.1 Å²	74.1	41%	0.408	38%	0.376	S	S	.	.			trans	-54.6	131	173.7	-74.4	171.6	0	0	0	109.7	I171 T172 L177	I171-L175 PolarHBondContact O-N 3.45Å; T172-L175 WeakPolarHBondContact O-CG 3.15Å; T172-L175 PolarHBondContact O-N 2.87Å; L175-L177 HydrophobicContact CB-CD2 4.4Å; L175-L177 HydrophobicContact CB-CG 4Å; L175-L177 PolarHBondContact O-N 2.91Å
176	P	91.6	Very high	92.4	Very high	84 Å²	84	69.9 Å²	69.9	55%	0.545	36%	0.363	S	S	.	.			trans	-78.4	47.9	-174.7	34.7	-38.2	0	0	0	111.7	D178 L179	P176-D178 PolarHBondContact O-N 3.5Å; P176-L179 HydrophobicContact CB-CD1 3.86Å; P176-L179 HydrophobicContact CB-CG 4.14Å; P176-L179 HydrophobicContact CG-CD1 4.37Å; P176-L179 WeakPolarHBondContact O-CB 3.48Å; P176-L179 WeakPolarHBondContact O-CG 3.4Å; P176-L179 PolarHBondContact O-N 3.28Å; P176-L179 VanDerWaalsContact O-N 3.13Å
177	L	91.1	Very high	92.3	Very high	54 Å²	54	70.1 Å²	70.1	28%	0.283	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.2	179.9	-62.2	-175.9	0	0	0	112.2	L175 L179 L180 L190 P193	L175-L177 HydrophobicContact CB-CD2 4.4Å; L175-L177 HydrophobicContact CB-CG 4Å; L175-L177 PolarHBondContact O-N 2.91Å; L177-L179 PolarHBondContact O-N 2.76Å; L177-L180 HydrophobicContact CD2-CD1 4.31Å; L177-L180 VanDerWaalsContact O-CB 3.23Å; L177-L180 WeakPolarHBondContact O-CB 3.49Å; L177-L180 WeakPolarHBondContact O-CG 3.37Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-L190 HydrophobicContact CB-CB 4.4Å; L177-P193 HydrophobicContact CD1-CG 3.67Å
178	D	87.7	Confident	92.1	Very high	31 Å²	31	67.7 Å²	67.7	17%	0.166	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.7	178	-60.1	-0.2	0	0	0	111.7	P176 L180 Q181 R191 R194	P176-D178 PolarHBondContact O-N 3.5Å; D178-L180 PolarHBondContact O-N 3.43Å; D178-Q181 WeakPolarHBondContact O-CB 3.28Å; D178-Q181 VanDerWaalsContact O-CG 3.3Å; D178-Q181 WeakPolarHBondContact O-CG 3.46Å; D178-Q181 PolarHBondContact O-N 3.36Å; D178-R191 IonicContact OD2-CZ 3.78Å; D178-R191 IonicContact OD2-NH1 2.73Å; D178-R191 PolarHBondContact OD2-NH1 2.82Å; D178-R194 IonicContact OD1-CZ 3.38Å; D178-R194 IonicContact OD1-NH1 3.09Å; D178-R194 PolarHBondContact OD1-NH1 3.48Å; D178-R194 IonicContact OD1-NH2 2.73Å; D178-R194 PolarHBondContact OD1-NH2 2.86Å; D178-R194 IonicContact OD2-CZ 3.57Å; D178-R194 IonicContact OD2-NH1 3.86Å; D178-R194 IonicContact OD2-NH2 3.59Å; D178-R194 PolarHBondContact OD2-NH2 3.37Å
179	L	88.8	Confident	91.9	Very high	109 Å²	109	64.8 Å²	64.8	57%	0.571	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61.6	-23.6	171.9	-61.1	179	0	0	0	112.3	P176 L177 Q181 F182	P176-L179 HydrophobicContact CB-CD1 3.86Å; P176-L179 HydrophobicContact CB-CG 4.14Å; P176-L179 HydrophobicContact CG-CD1 4.37Å; P176-L179 WeakPolarHBondContact O-CB 3.48Å; P176-L179 WeakPolarHBondContact O-CG 3.4Å; P176-L179 PolarHBondContact O-N 3.28Å; P176-L179 VanDerWaalsContact O-N 3.13Å; L177-L179 PolarHBondContact O-N 2.76Å; L179-Q181 PolarHBondContact O-N 2.92Å; L179-F182 HydrophobicContact CD2-CD2 4.42Å; L179-F182 HydrophobicContact CD2-CE2 3.86Å; L179-F182 VanDerWaalsContact O-CD2 3.29Å; L179-F182 WeakPolarHBondContact O-CD2 3.43Å; L179-F182 PolarHBondContact O-N 2.91Å
180	L	90.9	Very high	91.7	Very high	92 Å²	92	64.8 Å²	64.8	48%	0.482	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.4	174.7	-60.6	171.8	0	0	0	112.3	L177 D178 F182 K183 V184 L190	L177-L180 HydrophobicContact CD2-CD1 4.31Å; L177-L180 VanDerWaalsContact O-CB 3.23Å; L177-L180 WeakPolarHBondContact O-CB 3.49Å; L177-L180 WeakPolarHBondContact O-CG 3.37Å; L177-L180 PolarHBondContact O-N 3.43Å; D178-L180 PolarHBondContact O-N 3.43Å; L180-F182 PolarHBondContact O-N 3.43Å; L180-K183 PolarHBondContact O-N 3.33Å; L180-K183 VanDerWaalsContact O-N 3.08Å; L180-V184 PolarHBondContact O-N 3.26Å; L180-L190 HydrophobicContact CB-CD1 4.22Å
181	Q	88.6	Confident	91.6	Very high	22 Å²	22	64.9 Å²	64.9	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-24.7	178.4	-61.9	-179.7	13.4	0	0	112.4	D178 L179 K183 G185 Q187 L190	D178-Q181 WeakPolarHBondContact O-CB 3.28Å; D178-Q181 VanDerWaalsContact O-CG 3.3Å; D178-Q181 WeakPolarHBondContact O-CG 3.46Å; D178-Q181 PolarHBondContact O-N 3.36Å; L179-Q181 PolarHBondContact O-N 2.92Å; Q181-K183 PolarHBondContact O-N 2.86Å; Q181-G185 VanDerWaalsContact CA-O 3.29Å; Q181-G185 WeakPolarHBondContact CA-O 3.45Å; Q181-G185 WeakPolarHBondContact CB-O 3.14Å; Q181-G185 CarbonylContact O-C 3.58Å; Q181-G185 VanDerWaalsContact O-CA 3.27Å; Q181-G185 WeakPolarHBondContact O-CA 3.48Å; Q181-G185 PolarHBondContact O-N 3.17Å; Q181-Q187 PolarHBondContact NE2-O 2.99Å; Q181-Q187 VanDerWaalsContact NE2-O 3.17Å; Q181-L190 HydrophobicContact CG-CD1 3.65Å
182	F	88.3	Confident	91.4	Very high	187 Å²	187	67.1 Å²	67.1	82%	0.82	35%	0.346	S	S	*	.	H	α-helix	trans	-61.5	-26.9	173.3	-68.6	-63.7	0	0	0	112.8	L179 L180	L179-F182 HydrophobicContact CD2-CD2 4.42Å; L179-F182 HydrophobicContact CD2-CE2 3.86Å; L179-F182 VanDerWaalsContact O-CD2 3.29Å; L179-F182 WeakPolarHBondContact O-CD2 3.43Å; L179-F182 PolarHBondContact O-N 2.91Å; L180-F182 PolarHBondContact O-N 3.43Å
183	K	90.4	Very high	91.4	Very high	193 Å²	193	66.7 Å²	66.7	84%	0.839	34%	0.344	S	S	*	.	H	α-helix	trans	-102.2	-41.5	-179	-172.1	177.3	-179.6	-179.5	0	113.1	L180 Q181	L180-K183 PolarHBondContact O-N 3.33Å; L180-K183 VanDerWaalsContact O-N 3.08Å; Q181-K183 PolarHBondContact O-N 2.86Å
184	V	88.8	Confident	91.4	Very high	98 Å²	98	67 Å²	67	59%	0.594	35%	0.345	S	S	*	.	H	α-helix	trans	-92.5	-9.9	-172.8	-175.4	0	0	0	0	112.2	L180 Q187	L180-V184 PolarHBondContact O-N 3.26Å; V184-Q187 HydrophobicContact CG1-CG 4.19Å
185	G	88.4	Confident	91.2	Very high	34 Å²	34	68.7 Å²	68.7	35%	0.351	35%	0.351	S	S	.	.			trans	88.1	175	-168.9	0	0	0	0	0	112.1	Q181 Q187	Q181-G185 VanDerWaalsContact CA-O 3.29Å; Q181-G185 WeakPolarHBondContact CA-O 3.45Å; Q181-G185 WeakPolarHBondContact CB-O 3.14Å; Q181-G185 CarbonylContact O-C 3.58Å; Q181-G185 VanDerWaalsContact O-CA 3.27Å; Q181-G185 WeakPolarHBondContact O-CA 3.48Å; Q181-G185 PolarHBondContact O-N 3.17Å; G185-Q187 PolarHBondContact O-N 3.43Å
186	I	89.5	Confident	91.3	Very high	60 Å²	60	68.6 Å²	68.6	31%	0.308	35%	0.351	S	S	.	.			trans	-68.9	108	-175.9	-58.8	172.7	0	0	0	109.3	Q114 Q118 F122	Q114-I186 HydrophobicContact CG-CG2 3.9Å; Q118-I186 HydrophobicContact CG-CD1 4.44Å; F122-I186 HydrophobicContact CZ-CD1 4.24Å
187	Q	92.1	Very high	91.5	Very high	68 Å²	68	64.6 Å²	64.6	32%	0.318	33%	0.325	S	S	.	.			trans	-121.9	91.3	177.6	-64.1	-61.8	-23	0	0	109.8	Q181 V184 G185 M189 L190	Q181-Q187 PolarHBondContact NE2-O 2.99Å; Q181-Q187 VanDerWaalsContact NE2-O 3.17Å; V184-Q187 HydrophobicContact CG1-CG 4.19Å; G185-Q187 PolarHBondContact O-N 3.43Å; Q187-M189 PolarHBondContact O-N 2.94Å; Q187-M189 VanDerWaalsContact O-N 3.13Å; Q187-L190 HydrophobicContact CB-CD1 3.98Å; Q187-L190 HydrophobicContact CB-CG 4.08Å; Q187-L190 WeakPolarHBondContact O-CB 3.48Å; Q187-L190 PolarHBondContact O-N 3.41Å; Q187-L190 VanDerWaalsContact O-N 3.1Å
188	P	93.3	Very high	91.6	Very high	4 Å²	4	67.6 Å²	67.6	3%	0.026	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-54.4	-30.5	-179.1	-28.4	35.5	0	0	0	114.3	R107 Q108 Q114 L190 R191	R107-P188 HydrophobicContact CB-CB 3.83Å; R107-P188 HydrophobicContact CB-CG 3.69Å; Q108-P188 VanDerWaalsContact OE1-CD 3.31Å; Q114-P188 HydrophobicContact CG-CG 4.43Å; P188-L190 PolarHBondContact O-N 2.94Å; P188-R191 WeakPolarHBondContact O-CB 3.48Å; P188-R191 PolarHBondContact O-N 3.04Å; P188-R191 VanDerWaalsContact O-N 3.1Å
189	M	92	Very high	92	Very high	54 Å²	54	67.4 Å²	67.4	27%	0.266	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.3	-17.2	178.1	-80.1	-63.8	112.2	0	0	115.2	P104 I105 Q108 Q187 R191 F192	P104-M189 HydrophobicContact CB-CE 3.71Å; P104-M189 WeakPolarHBondContact O-CE 3.37Å; I105-M189 HydrophobicContact CB-CE 3.84Å; I105-M189 HydrophobicContact CD1-CE 3.78Å; I105-M189 HydrophobicContact CD1-SD 4.17Å; I105-M189 HydrophobicContact CG1-CE 4.41Å; Q108-M189 HydrophobicContact CB-CE 3.99Å; Q108-M189 HydrophobicContact CB-CG 3.92Å; Q108-M189 HydrophobicContact CG-CG 3.63Å; Q187-M189 PolarHBondContact O-N 2.94Å; Q187-M189 VanDerWaalsContact O-N 3.13Å; M189-R191 PolarHBondContact O-N 2.9Å; M189-F192 VanDerWaalsContact O-CB 3.32Å; M189-F192 WeakPolarHBondContact O-CB 3.34Å; M189-F192 PolarHBondContact O-N 3.5Å
190	L	93.2	Very high	92.3	Very high	45 Å²	45	62.4 Å²	62.4	24%	0.236	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.8	-13.7	172.2	-68	172.9	0	0	0	112.6	L177 L180 Q181 Q187 P188 F192 P193 R194	L177-L190 HydrophobicContact CB-CB 4.4Å; L180-L190 HydrophobicContact CB-CD1 4.22Å; Q181-L190 HydrophobicContact CG-CD1 3.65Å; Q187-L190 HydrophobicContact CB-CD1 3.98Å; Q187-L190 HydrophobicContact CB-CG 4.08Å; Q187-L190 WeakPolarHBondContact O-CB 3.48Å; Q187-L190 PolarHBondContact O-N 3.41Å; Q187-L190 VanDerWaalsContact O-N 3.1Å; P188-L190 PolarHBondContact O-N 2.94Å; L190-F192 VanDerWaalsContact C-N 3.3Å; L190-F192 PolarHBondContact O-N 3.16Å; L190-P193 WeakPolarHBondContact O-CD 3.47Å; L190-R194 PolarHBondContact O-NH1 3.41Å
191	R	93.8	Very high	92.5	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-80.1	-2.3	172.7	-58.7	-172.9	70.3	94.1	-9	114.5	N100 P104 D125 T128 D129 D178 P188 M189 P193 R194	N100-R191 PolarHBondContact OD1-NE 3.04Å; P104-R191 HydrophobicContact CG-CB 4.39Å; D125-R191 VanDerWaalsContact CA-NH2 3.31Å; D125-R191 VanDerWaalsContact CB-CZ 3.46Å; D125-R191 VanDerWaalsContact CB-NH1 3.31Å; D125-R191 VanDerWaalsContact CG-CZ 3.43Å; D125-R191 PolarHBondContact O-NH2 3.31Å; D125-R191 VanDerWaalsContact OD1-CD 3.26Å; D125-R191 WeakPolarHBondContact OD1-CD 3.45Å; D125-R191 IonicContact OD1-CZ 2.7Å; D125-R191 IonicContact OD1-NE 3.99Å; D125-R191 PolarHBondContact OD1-NE 3.12Å; D125-R191 IonicContact OD1-NH1 3.43Å; D125-R191 IonicContact OD1-NH2 3.93Å; T128-R191 PolarHBondContact OG1-NH2 2.84Å; T128-R191 VanDerWaalsContact OG1-NH2 3.07Å; D129-R191 VanDerWaalsContact CG-NH2 3.29Å; D129-R191 IonicContact OD1-CZ 3.74Å; D129-R191 IonicContact OD1-NH2 3.6Å; D129-R191 PolarHBondContact OD1-NH2 3.22Å; D129-R191 IonicContact OD2-CZ 3.56Å; D129-R191 IonicContact OD2-NH1 2.82Å; D129-R191 PolarHBondContact OD2-NH1 2.83Å; D129-R191 IonicContact OD2-NH2 2.77Å; D129-R191 PolarHBondContact OD2-NH2 3.27Å; D178-R191 IonicContact OD2-CZ 3.78Å; D178-R191 IonicContact OD2-NH1 2.73Å; D178-R191 PolarHBondContact OD2-NH1 2.82Å; P188-R191 WeakPolarHBondContact O-CB 3.48Å; P188-R191 PolarHBondContact O-N 3.04Å; P188-R191 VanDerWaalsContact O-N 3.1Å; M189-R191 PolarHBondContact O-N 2.9Å; R191-P193 VanDerWaalsContact C-CD 3.42Å; R191-P193 VanDerWaalsContact C-N 3.35Å; R191-R194 VanDerWaalsContact O-CB 3.29Å; R191-R194 WeakPolarHBondContact O-CB 3.24Å; R191-R194 WeakPolarHBondContact O-CD 3.44Å; R191-R194 PolarHBondContact O-N 3.49Å
192	F	92	Very high	92.7	Very high	122 Å²	122	65.1 Å²	65.1	54%	0.535	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-53.7	-38.2	-179.3	-172	-99.9	0	0	0	115.2	M189 L190 R194 F195 W233	M189-F192 VanDerWaalsContact O-CB 3.32Å; M189-F192 WeakPolarHBondContact O-CB 3.34Å; M189-F192 PolarHBondContact O-N 3.5Å; L190-F192 VanDerWaalsContact C-N 3.3Å; L190-F192 PolarHBondContact O-N 3.16Å; F192-R194 PolarHBondContact O-N 2.92Å; F192-F195 VanDerWaalsContact O-CB 3.23Å; F192-F195 WeakPolarHBondContact O-CB 3.25Å; F192-F195 PolarHBondContact O-N 2.9Å; F192-W233 HydrophobicContact CD2-CH2 4.45Å; F192-W233 HydrophobicContact CE2-CH2 4.21Å
193	P	94.9	Very high	93	Very high	29 Å²	29	57.9 Å²	57.9	19%	0.188	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-59.3	-22.3	177.4	-27.8	38.2	0	0	0	114.6	S173 L177 L190 R191 F195 L196	S173-P193 WeakPolarHBondContact CA-O 3.23Å; L177-P193 HydrophobicContact CD1-CG 3.67Å; L190-P193 WeakPolarHBondContact O-CD 3.47Å; R191-P193 VanDerWaalsContact C-CD 3.42Å; R191-P193 VanDerWaalsContact C-N 3.35Å; P193-F195 PolarHBondContact O-N 2.87Å; P193-F195 VanDerWaalsContact O-N 3.11Å; P193-L196 VanDerWaalsContact O-CB 3.28Å; P193-L196 WeakPolarHBondContact O-CB 3.47Å; P193-L196 VanDerWaalsContact O-CG 3.29Å; P193-L196 WeakPolarHBondContact O-CG 3.4Å; P193-L196 PolarHBondContact O-N 3.22Å
194	R	94.9	Very high	93.3	Very high	6 Å²	6	50.1 Å²	50.1	2%	0.023	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.5	-24.3	175.4	-74.7	70	176.6	-162	-13.8	111.5	N100 D129 Y132 S173 D178 L190 R191 F192 L196 K197	N100-R194 HydrophobicContact CB-CB 4.17Å; D129-R194 IonicContact OD1-CZ 3.24Å; D129-R194 IonicContact OD1-NE 3.75Å; D129-R194 PolarHBondContact OD1-NE 3.19Å; D129-R194 IonicContact OD1-NH2 3.69Å; D129-R194 IonicContact OD2-NH2 3.74Å; Y132-R194 HydrophobicContact CE2-CB 3.96Å; Y132-R194 HydrophobicContact CE2-CG 4.2Å; Y132-R194 PolarHBondContact OH-O 3.04Å; S173-R194 VanDerWaalsContact O-CD 3.27Å; S173-R194 WeakPolarHBondContact O-CD 3.4Å; S173-R194 VanDerWaalsContact O-CG 3.32Å; S173-R194 WeakPolarHBondContact O-CG 3.19Å; S173-R194 PolarHBondContact O-NE 3.3Å; D178-R194 IonicContact OD1-CZ 3.38Å; D178-R194 IonicContact OD1-NH1 3.09Å; D178-R194 PolarHBondContact OD1-NH1 3.48Å; D178-R194 IonicContact OD1-NH2 2.73Å; D178-R194 PolarHBondContact OD1-NH2 2.86Å; D178-R194 IonicContact OD2-CZ 3.57Å; D178-R194 IonicContact OD2-NH1 3.86Å; D178-R194 IonicContact OD2-NH2 3.59Å; D178-R194 PolarHBondContact OD2-NH2 3.37Å; L190-R194 PolarHBondContact O-NH1 3.41Å; R191-R194 VanDerWaalsContact O-CB 3.29Å; R191-R194 WeakPolarHBondContact O-CB 3.24Å; R191-R194 WeakPolarHBondContact O-CD 3.44Å; R191-R194 PolarHBondContact O-N 3.49Å; F192-R194 PolarHBondContact O-N 2.92Å; R194-L196 PolarHBondContact O-N 3.26Å; R194-K197 WeakPolarHBondContact O-CB 3.32Å; R194-K197 PolarHBondContact O-N 3.17Å
195	F	92.3	Very high	93.5	Very high	71 Å²	71	48.8 Å²	48.8	31%	0.311	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63	-22.5	175.1	-173.4	-107.9	0	0	0	113.9	L97 L101 F192 P193 K197 W198	L97-F195 HydrophobicContact CD1-CD2 4.24Å; L101-F195 HydrophobicContact CD1-CD2 3.8Å; L101-F195 HydrophobicContact CD1-CE2 3.55Å; L101-F195 HydrophobicContact CD2-CE2 4.11Å; L101-F195 HydrophobicContact CG-CE2 4.37Å; F192-F195 VanDerWaalsContact O-CB 3.23Å; F192-F195 WeakPolarHBondContact O-CB 3.25Å; F192-F195 PolarHBondContact O-N 2.9Å; P193-F195 PolarHBondContact O-N 2.87Å; P193-F195 VanDerWaalsContact O-N 3.11Å; F195-K197 PolarHBondContact O-N 3.16Å; F195-W198 HydrophobicContact CE2-CE3 4.09Å; F195-W198 HydrophobicContact CZ-CB 4.48Å; F195-W198 HydrophobicContact CZ-CD2 4.44Å; F195-W198 HydrophobicContact CZ-CE3 4.15Å; F195-W198 WeakPolarHBondContact O-CB 3.46Å; F195-W198 PolarHBondContact O-N 2.83Å
196	L	94.6	Very high	93.6	Very high	75 Å²	75	50.8 Å²	50.8	39%	0.393	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.9	-18.5	176.8	-65.2	173.9	0	0	0	112.9	L169 T172 P193 R194 W198	L169-L196 HydrophobicContact CD2-CB 4.42Å; L169-L196 HydrophobicContact CD2-CD2 4.48Å; T172-L196 VanDerWaalsContact OG1-CD1 3.24Å; T172-L196 WeakPolarHBondContact OG1-CD1 3.46Å; P193-L196 VanDerWaalsContact O-CB 3.28Å; P193-L196 WeakPolarHBondContact O-CB 3.47Å; P193-L196 VanDerWaalsContact O-CG 3.29Å; P193-L196 WeakPolarHBondContact O-CG 3.4Å; P193-L196 PolarHBondContact O-N 3.22Å; R194-L196 PolarHBondContact O-N 3.26Å; L196-W198 PolarHBondContact O-N 2.94Å; L196-W198 VanDerWaalsContact O-N 3.12Å
197	K	94.9	Very high	93.7	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-68.8	1.5	171.1	-149.2	106.6	-175.6	-64.5	0	113.9	V93 L97 Y132 D135 D170 R194 F195 Y199 R200	V93-K197 HydrophobicContact CG1-CG 4.46Å; V93-K197 VanDerWaalsContact CG1-NZ 3.34Å; L97-K197 HydrophobicContact CD1-CB 4.17Å; Y132-K197 HydrophobicContact CD1-CD 4.03Å; Y132-K197 HydrophobicContact CD1-CG 4.46Å; Y132-K197 VanDerWaalsContact CD1-NZ 3.31Å; Y132-K197 HydrophobicContact CD2-CD 3.72Å; Y132-K197 HydrophobicContact CD2-CG 4.49Å; Y132-K197 HydrophobicContact CE1-CB 4.39Å; Y132-K197 HydrophobicContact CE1-CD 4.04Å; Y132-K197 HydrophobicContact CE1-CG 3.99Å; Y132-K197 HydrophobicContact CE2-CB 3.78Å; Y132-K197 HydrophobicContact CE2-CD 3.73Å; Y132-K197 HydrophobicContact CE2-CG 4.02Å; Y132-K197 HydrophobicContact CG-CD 3.87Å; D135-K197 WeakPolarHBondContact OD2-CE 3.44Å; D135-K197 IonicContact OD2-NZ 3.65Å; D135-K197 PolarHBondContact OD2-NZ 2.99Å; D170-K197 WeakPolarHBondContact OD1-CD 3.26Å; D170-K197 WeakPolarHBondContact OD1-CE 3.41Å; R194-K197 WeakPolarHBondContact O-CB 3.32Å; R194-K197 PolarHBondContact O-N 3.17Å; F195-K197 PolarHBondContact O-N 3.16Å; K197-Y199 PolarHBondContact O-N 2.9Å; K197-R200 HydrophobicContact CG-CB 4.24Å; K197-R200 HydrophobicContact CG-CG 3.88Å; K197-R200 WeakPolarHBondContact O-CB 3.35Å; K197-R200 PolarHBondContact O-N 2.76Å
198	W	95	Very high	93.7	Very high	117 Å²	117	48.3 Å²	48.3	44%	0.443	22%	0.216	S	C	.	.	H	α-helix	trans	-47.7	-35.4	176.9	172.5	-103.7	0	0	0	114	L97 F195 L196 R200 C201 R202	L97-W198 HydrophobicContact CD2-CE3 4.01Å; F195-W198 HydrophobicContact CE2-CE3 4.09Å; F195-W198 HydrophobicContact CZ-CB 4.48Å; F195-W198 HydrophobicContact CZ-CD2 4.44Å; F195-W198 HydrophobicContact CZ-CE3 4.15Å; F195-W198 WeakPolarHBondContact O-CB 3.46Å; F195-W198 PolarHBondContact O-N 2.83Å; L196-W198 PolarHBondContact O-N 2.94Å; L196-W198 VanDerWaalsContact O-N 3.12Å; W198-R200 PolarHBondContact O-N 3.01Å; W198-R200 VanDerWaalsContact O-N 3.12Å; W198-C201 HydrophobicContact CE3-CB 4.48Å; W198-C201 PolarHBondContact O-N 3.09Å; W198-R202 PolarHBondContact O-N 3.37Å
199	Y	95.6	Very high	93.6	Very high	26 Å²	26	49.9 Å²	49.9	10%	0.102	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-29.2	178.9	84.4	-87	0	0	0	112.9	Q139 K166 L169 D170 K197 E203	Q139-Y199 VanDerWaalsContact CD-OH 3.23Å; Q139-Y199 PolarHBondContact NE2-OH 3.4Å; Q139-Y199 PolarHBondContact OE1-OH 2.85Å; K166-Y199 HydrophobicContact CB-CE2 4.08Å; K166-Y199 HydrophobicContact CD-CD2 4.31Å; K166-Y199 HydrophobicContact CD-CE2 3.78Å; K166-Y199 HydrophobicContact CG-CD2 4.19Å; K166-Y199 HydrophobicContact CG-CE2 3.8Å; L169-Y199 HydrophobicContact CB-CD1 4.44Å; L169-Y199 HydrophobicContact CB-CE1 4.32Å; L169-Y199 HydrophobicContact CD1-CD1 3.93Å; L169-Y199 HydrophobicContact CD1-CG 4.46Å; D170-Y199 VanDerWaalsContact CG-OH 3.25Å; D170-Y199 WeakPolarHBondContact OD1-CE1 3.31Å; D170-Y199 PolarHBondContact OD1-OH 3.31Å; D170-Y199 PolarHBondContact OD2-OH 3.5Å; K197-Y199 PolarHBondContact O-N 2.9Å; Y199-E203 PolarHBondContact O-N 3.25Å
200	R	95.1	Very high	93.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-44.1	174.3	-68.8	-56.8	-143.3	159.4	30.6	112.4	Y86 V93 D135 Q139 K197 W198 R202 E203 W204	Y86-R200 PolarHBondContact OH-NH1 3.22Å; V93-R200 HydrophobicContact CG1-CB 3.99Å; V93-R200 HydrophobicContact CG1-CG 4.2Å; D135-R200 VanDerWaalsContact CG-NH2 3.29Å; D135-R200 IonicContact OD1-CZ 2.83Å; D135-R200 IonicContact OD1-NE 2.86Å; D135-R200 IonicContact OD1-NH2 3.22Å; D135-R200 PolarHBondContact OD1-NH2 2.86Å; D135-R200 IonicContact OD2-CZ 3.89Å; D135-R200 IonicContact OD2-NE 3.75Å; D135-R200 PolarHBondContact OD2-NE 2.88Å; D135-R200 IonicContact OD2-NH2 2.94Å; D135-R200 PolarHBondContact OD2-NH2 3.19Å; Q139-R200 VanDerWaalsContact CD-NE 3.3Å; Q139-R200 VanDerWaalsContact OE1-CZ 3.28Å; K197-R200 HydrophobicContact CG-CB 4.24Å; K197-R200 HydrophobicContact CG-CG 3.88Å; K197-R200 WeakPolarHBondContact O-CB 3.35Å; K197-R200 PolarHBondContact O-N 2.76Å; W198-R200 PolarHBondContact O-N 3.01Å; W198-R200 VanDerWaalsContact O-N 3.12Å; R200-R202 VanDerWaalsContact C-N 3.31Å; R200-R202 PolarHBondContact O-N 2.84Å; R200-E203 IonicContact NH1-OE2 2.7Å; R200-E203 PolarHBondContact NH1-OE2 3Å; R200-E203 VanDerWaalsContact NH1-OE2 3.16Å; R200-E203 WeakPolarHBondContact O-CB 3.46Å; R200-E203 PolarHBondContact O-N 3.13Å; R200-W204 WeakPolarHBondContact O-CB 3.5Å; R200-W204 PolarHBondContact O-N 2.7Å
201	C	94.5	Very high	93.2	Very high	10 Å²	10	58.5 Å²	58.5	7%	0.068	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-36.8	175.5	-176.1	0	0	0	0	111.3	L97 W198 W204 K205	L97-C201 HydrophobicContact CD2-CB 3.31Å; W198-C201 HydrophobicContact CE3-CB 4.48Å; W198-C201 PolarHBondContact O-N 3.09Å; C201-W204 WeakPolarHBondContact O-CB 3.37Å; C201-W204 PolarHBondContact O-N 2.92Å; C201-K205 WeakPolarHBondContact O-CB 3.47Å; C201-K205 PolarHBondContact O-N 3Å
202	R	94.2	Very high	92.8	Very high	161 Å²	161	60.7 Å²	60.7	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-61.3	-45.7	171.2	-177.2	-179.2	173.4	-172.1	-0.4	111.9	W198 R200 W204 K205 I206	W198-R202 PolarHBondContact O-N 3.37Å; R200-R202 VanDerWaalsContact C-N 3.31Å; R200-R202 PolarHBondContact O-N 2.84Å; R202-W204 VanDerWaalsContact C-N 3.33Å; R202-W204 PolarHBondContact O-N 3.45Å; R202-K205 PolarHBondContact O-N 3.41Å; R202-I206 HydrophobicContact CG-CD1 4.07Å; R202-I206 WeakPolarHBondContact O-CG1 3.22Å; R202-I206 PolarHBondContact O-N 3.49Å; R202-I206 VanDerWaalsContact O-N 3.15Å
203	E	94.4	Very high	92.5	Very high	35 Å²	35	61.8 Å²	61.8	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-45.9	175.5	-178.7	179.1	174.1	0	0	110.9	Y86 L90 Y199 R200 R207	Y86-E203 WeakPolarHBondContact CE1-OE1 3.27Å; Y86-E203 PolarHBondContact OH-OE1 3.31Å; Y86-E203 PolarHBondContact OH-OE2 3.38Å; L90-E203 HydrophobicContact CD1-CG 3.99Å; Y199-E203 PolarHBondContact O-N 3.25Å; R200-E203 IonicContact NH1-OE2 2.7Å; R200-E203 PolarHBondContact NH1-OE2 3Å; R200-E203 VanDerWaalsContact NH1-OE2 3.16Å; R200-E203 WeakPolarHBondContact O-CB 3.46Å; R200-E203 PolarHBondContact O-N 3.13Å; E203-R207 VanDerWaalsContact CG-NE 3.33Å; E203-R207 VanDerWaalsContact O-CD 3.23Å; E203-R207 WeakPolarHBondContact O-CD 3.46Å; E203-R207 VanDerWaalsContact O-CG 3.23Å; E203-R207 WeakPolarHBondContact O-CG 3.44Å; E203-R207 PolarHBondContact O-N 3.4Å; E203-R207 VanDerWaalsContact O-N 3.14Å; E203-R207 IonicContact OE1-CZ 3.68Å; E203-R207 VanDerWaalsContact OE1-CZ 3.22Å; E203-R207 IonicContact OE1-NE 2.67Å; E203-R207 PolarHBondContact OE1-NE 3.05Å; E203-R207 VanDerWaalsContact OE1-NE 3.13Å; E203-R207 IonicContact OE1-NH2 2.97Å; E203-R207 PolarHBondContact OE1-NH2 3.22Å
204	W	94.9	Very high	91.8	Very high	31 Å²	31	66.7 Å²	66.7	12%	0.117	30%	0.301	C	S	.	.	H	α-helix	trans	-58.3	-52.6	175	170.8	77.2	0	0	0	112.4	L90 T91 S94 R200 C201 R202 I206 R207 V208 W218	L90-W204 HydrophobicContact CB-CB 4.1Å; L90-W204 HydrophobicContact CB-CG 4.42Å; T91-W204 PolarHBondContact OG1-NE1 2.98Å; S94-W204 WeakPolarHBondContact OG-CB 3.16Å; S94-W204 VanDerWaalsContact OG-CG 3.27Å; R200-W204 WeakPolarHBondContact O-CB 3.5Å; R200-W204 PolarHBondContact O-N 2.7Å; C201-W204 WeakPolarHBondContact O-CB 3.37Å; C201-W204 PolarHBondContact O-N 2.92Å; R202-W204 VanDerWaalsContact C-N 3.33Å; R202-W204 PolarHBondContact O-N 3.45Å; W204-I206 VanDerWaalsContact C-N 3.32Å; W204-I206 PolarHBondContact O-N 3.36Å; W204-R207 PolarHBondContact O-N 3Å; W204-V208 HydrophobicContact CD2-CG2 4.22Å; W204-V208 HydrophobicContact CG-CG2 4.3Å; W204-V208 HydrophobicContact CZ2-CG2 4.22Å; W204-V208 WeakPolarHBondContact O-CG2 3.47Å; W204-V208 PolarHBondContact O-N 3.04Å; W204-W218 AromaticContact CH2-CH2 3.44Å; W204-W218 HydrophobicContact CH2-CH2 3.44Å; W204-W218 VanDerWaalsContact CH2-CH2 3.44Å; W204-W218 AromaticContact CH2-CZ2 3.69Å; W204-W218 HydrophobicContact CH2-CZ2 3.69Å; W204-W218 AromaticContact CZ2-CH2 3.74Å; W204-W218 HydrophobicContact CZ2-CH2 3.74Å; W204-W218 HydrophobicContact CZ2-CZ2 4.08Å; W204-W218 HydrophobicContact CZ3-CH2 4.19Å; W204-W218 AromaticContact CZ3-CZ2 3.99Å; W204-W218 HydrophobicContact CZ3-CZ2 3.99Å
205	K	93.1	Very high	91.3	Very high	70 Å²	70	68.7 Å²	68.7	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-53.2	-48.9	-179.3	-179.3	-176	175.1	-178.1	0	111.6	C201 R202 R207 V208 E209 W218	C201-K205 WeakPolarHBondContact O-CB 3.47Å; C201-K205 PolarHBondContact O-N 3Å; R202-K205 PolarHBondContact O-N 3.41Å; K205-R207 VanDerWaalsContact C-N 3.31Å; K205-R207 PolarHBondContact O-N 2.94Å; K205-V208 PolarHBondContact O-N 3.44Å; K205-E209 VanDerWaalsContact O-CB 3.3Å; K205-E209 WeakPolarHBondContact O-CB 3.21Å; K205-E209 PolarHBondContact O-N 3.36Å; K205-W218 PolarHBondContact O-NE1 3.05Å
206	I	92	Very high	90.8	Very high	75 Å²	75	67.1 Å²	67.1	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-41.1	179.3	-67.4	167	0	0	0	110.7	R202 W204 E209 N210	R202-I206 HydrophobicContact CG-CD1 4.07Å; R202-I206 WeakPolarHBondContact O-CG1 3.22Å; R202-I206 PolarHBondContact O-N 3.49Å; R202-I206 VanDerWaalsContact O-N 3.15Å; W204-I206 VanDerWaalsContact C-N 3.32Å; W204-I206 PolarHBondContact O-N 3.36Å; I206-E209 PolarHBondContact O-N 3.33Å; I206-N210 WeakPolarHBondContact O-CB 3.5Å; I206-N210 PolarHBondContact O-N 3.29Å; I206-N210 PolarHBondContact O-ND2 3.15Å; I206-N210 PolarHBondContact O-OD1 2.78Å
207	R	91.9	Very high	90.2	Very high	51 Å²	51	68.3 Å²	68.3	19%	0.192	32%	0.316	C	S	.	.	H	α-helix	trans	-71.6	-40	-178.8	-71.3	160.6	169.4	-105.8	4.1	112.6	S81 L87 L90 E203 W204 K205 E209 N210 R211	S81-R207 VanDerWaalsContact O-CZ 3.31Å; S81-R207 PolarHBondContact O-NH1 3.23Å; S81-R207 PolarHBondContact O-NH2 3.45Å; L87-R207 HydrophobicContact CD1-CB 3.81Å; L90-R207 VanDerWaalsContact CD1-CD 3.42Å; E203-R207 VanDerWaalsContact CG-NE 3.33Å; E203-R207 VanDerWaalsContact O-CD 3.23Å; E203-R207 WeakPolarHBondContact O-CD 3.46Å; E203-R207 VanDerWaalsContact O-CG 3.23Å; E203-R207 WeakPolarHBondContact O-CG 3.44Å; E203-R207 PolarHBondContact O-N 3.4Å; E203-R207 VanDerWaalsContact O-N 3.14Å; E203-R207 IonicContact OE1-CZ 3.68Å; E203-R207 VanDerWaalsContact OE1-CZ 3.22Å; E203-R207 IonicContact OE1-NE 2.67Å; E203-R207 PolarHBondContact OE1-NE 3.05Å; E203-R207 VanDerWaalsContact OE1-NE 3.13Å; E203-R207 IonicContact OE1-NH2 2.97Å; E203-R207 PolarHBondContact OE1-NH2 3.22Å; W204-R207 PolarHBondContact O-N 3Å; K205-R207 VanDerWaalsContact C-N 3.31Å; K205-R207 PolarHBondContact O-N 2.94Å; R207-E209 VanDerWaalsContact C-N 3.32Å; R207-N210 PolarHBondContact O-N 3.08Å; R207-R211 WeakPolarHBondContact O-CB 3.41Å; R207-R211 WeakPolarHBondContact O-CG 3.49Å; R207-R211 PolarHBondContact O-N 2.94Å
208	V	91.9	Very high	89.8	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-44.7	173.7	175.4	0	0	0	0	109.6	L87 W204 K205 N210 R211 T212 W218	L87-V208 HydrophobicContact CD1-CG2 3.93Å; W204-V208 HydrophobicContact CD2-CG2 4.22Å; W204-V208 HydrophobicContact CG-CG2 4.3Å; W204-V208 HydrophobicContact CZ2-CG2 4.22Å; W204-V208 WeakPolarHBondContact O-CG2 3.47Å; W204-V208 PolarHBondContact O-N 3.04Å; K205-V208 PolarHBondContact O-N 3.44Å; V208-N210 VanDerWaalsContact C-N 3.32Å; V208-N210 PolarHBondContact O-N 3.11Å; V208-R211 PolarHBondContact O-N 3.48Å; V208-T212 WeakPolarHBondContact O-CG2 3.29Å; V208-T212 PolarHBondContact O-N 3.03Å; V208-W218 HydrophobicContact CB-CH2 4.48Å; V208-W218 HydrophobicContact CB-CZ2 3.84Å; V208-W218 HydrophobicContact CG1-CD2 3.85Å; V208-W218 HydrophobicContact CG1-CE3 4.11Å; V208-W218 HydrophobicContact CG1-CH2 3.83Å; V208-W218 HydrophobicContact CG1-CZ2 3.55Å; V208-W218 HydrophobicContact CG1-CZ3 4.1Å; V208-W218 HydrophobicContact CG2-CZ2 4.35Å
209	E	90.3	Very high	89.4	Confident	37 Å²	37	70 Å²	70	17%	0.173	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-40.6	177.3	-170.4	175.5	169.5	0	0	112.6	K205 I206 R207 R211 T212 P215 R219	K205-E209 VanDerWaalsContact O-CB 3.3Å; K205-E209 WeakPolarHBondContact O-CB 3.21Å; K205-E209 PolarHBondContact O-N 3.36Å; I206-E209 PolarHBondContact O-N 3.33Å; R207-E209 VanDerWaalsContact C-N 3.32Å; E209-R211 VanDerWaalsContact C-N 3.26Å; E209-R211 PolarHBondContact O-N 2.98Å; E209-T212 WeakPolarHBondContact O-CG2 3.25Å; E209-P215 HydrophobicContact CG-CB 4.31Å; E209-R219 IonicContact OE1-CZ 2.8Å; E209-R219 IonicContact OE1-NE 2.9Å; E209-R219 PolarHBondContact OE1-NE 3.03Å; E209-R219 IonicContact OE1-NH2 3.84Å; E209-R219 PolarHBondContact OE1-NH2 3.36Å
210	N	88.7	Confident	88.8	Confident	125 Å²	125	70.1 Å²	70.1	67%	0.668	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.4	177.3	-68.7	-13.8	0	0	0	114.2	I206 R207 V208	I206-N210 WeakPolarHBondContact O-CB 3.5Å; I206-N210 PolarHBondContact O-N 3.29Å; I206-N210 PolarHBondContact O-ND2 3.15Å; I206-N210 PolarHBondContact O-OD1 2.78Å; R207-N210 PolarHBondContact O-N 3.08Å; V208-N210 VanDerWaalsContact C-N 3.32Å; V208-N210 PolarHBondContact O-N 3.11Å
211	R	87.8	Confident	88.5	Confident	155 Å²	155	74.2 Å²	74.2	59%	0.585	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-24.2	-176.7	-67.3	-72.1	-171.1	163.2	7	113	N82 L87 R207 V208 E209	N82-R211 PolarHBondContact O-NH2 3.28Å; L87-R211 HydrophobicContact CD2-CG 4.35Å; R207-R211 WeakPolarHBondContact O-CB 3.41Å; R207-R211 WeakPolarHBondContact O-CG 3.49Å; R207-R211 PolarHBondContact O-N 2.94Å; V208-R211 PolarHBondContact O-N 3.48Å; E209-R211 VanDerWaalsContact C-N 3.26Å; E209-R211 PolarHBondContact O-N 2.98Å
212	T	86.5	Confident	88.3	Confident	48 Å²	48	74.7 Å²	74.7	29%	0.294	35%	0.349	S	S	.	.			trans	-69.9	145.1	179	-176.3	0	0	0	0	110.9	V208 E209 F214 P215 W218	V208-T212 WeakPolarHBondContact O-CG2 3.29Å; V208-T212 PolarHBondContact O-N 3.03Å; E209-T212 WeakPolarHBondContact O-CG2 3.25Å; T212-F214 PolarHBondContact OG1-N 3.34Å; T212-F214 VanDerWaalsContact OG1-N 3.15Å; T212-P215 HydrophobicContact CG2-CB 4.27Å; T212-W218 HydrophobicContact CG2-CB 4.19Å
213	I	83.9	Confident	88.1	Confident	146 Å²	146	68.7 Å²	68.7	75%	0.749	33%	0.329	S	S	*	.	S	Bend	trans	-72.7	-23	172.7	-56.5	165.1	0	0	0	110.1	P215	I213-P215 VanDerWaalsContact C-CD 3.49Å; I213-P215 VanDerWaalsContact O-CD 3.29Å; I213-P215 WeakPolarHBondContact O-CD 3.45Å
214	F	81.7	Confident	87.9	Confident	131 Å²	131	70.3 Å²	70.3	58%	0.575	34%	0.338	S	S	*	.			trans	-121.2	71.5	-175.5	-52.3	-69.7	0	0	0	111.8	T212 N216 L217 W218	T212-F214 PolarHBondContact OG1-N 3.34Å; T212-F214 VanDerWaalsContact OG1-N 3.15Å; F214-N216 VanDerWaalsContact C-N 3.31Å; F214-N216 PolarHBondContact O-N 3.49Å; F214-L217 HydrophobicContact CB-CB 3.9Å; F214-L217 HydrophobicContact CB-CD2 4.38Å; F214-L217 PolarHBondContact O-N 2.93Å; F214-W218 PolarHBondContact O-N 3.19Å; F214-W218 VanDerWaalsContact O-N 3.16Å
215	P	84.2	Confident	87.7	Confident	48 Å²	48	71.7 Å²	71.7	31%	0.312	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-37.1	-175.8	23.9	-34.1	0	0	0	112.7	E209 T212 I213 W218 R219	E209-P215 HydrophobicContact CG-CB 4.31Å; T212-P215 HydrophobicContact CG2-CB 4.27Å; I213-P215 VanDerWaalsContact C-CD 3.49Å; I213-P215 VanDerWaalsContact O-CD 3.29Å; I213-P215 WeakPolarHBondContact O-CD 3.45Å; P215-W218 WeakPolarHBondContact O-CB 3.47Å; P215-W218 PolarHBondContact O-N 3.3Å; P215-R219 WeakPolarHBondContact O-CG 3.5Å; P215-R219 PolarHBondContact O-N 2.86Å
216	N	81.2	Confident	87.6	Confident	39 Å²	39	71.9 Å²	71.9	21%	0.209	35%	0.35	C	S	.	.	H	α-helix	trans	-67.2	-42.3	178.6	-75	-13.8	0	0	0	112.5	F214 W218 R219 V220 I318 T321	F214-N216 VanDerWaalsContact C-N 3.31Å; F214-N216 PolarHBondContact O-N 3.49Å; N216-W218 VanDerWaalsContact C-N 3.29Å; N216-W218 PolarHBondContact O-N 2.93Å; N216-R219 WeakPolarHBondContact O-CB 3.29Å; N216-R219 PolarHBondContact O-N 3.4Å; N216-R219 VanDerWaalsContact O-N 3.14Å; N216-V220 PolarHBondContact O-N 3.48Å; N216-V220 VanDerWaalsContact O-N 3.09Å; N216-I318 HydrophobicContact CB-CB 4.43Å; N216-I318 HydrophobicContact CB-CD1 4.17Å; N216-I318 HydrophobicContact CB-CG1 3.94Å; N216-I318 HydrophobicContact CB-CG2 3.78Å; N216-I318 WeakPolarHBondContact O-CD1 3.01Å; N216-T321 PolarHBondContact ND2-OG1 3.15Å
217	L	82.4	Confident	87.6	Confident	99 Å²	99	69.6 Å²	69.6	52%	0.518	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-43.7	174.6	178.7	61.1	0	0	0	110.8	F214 R219 V220 L221	F214-L217 HydrophobicContact CB-CB 3.9Å; F214-L217 HydrophobicContact CB-CD2 4.38Å; F214-L217 PolarHBondContact O-N 2.93Å; L217-R219 VanDerWaalsContact C-N 3.31Å; L217-R219 PolarHBondContact O-N 2.66Å; L217-V220 PolarHBondContact O-N 2.84Å; L217-L221 HydrophobicContact CD1-CD1 4.38Å; L217-L221 HydrophobicContact CD1-CG 4.33Å; L217-L221 HydrophobicContact CG-CD1 4.13Å; L217-L221 WeakPolarHBondContact O-CG 3.43Å; L217-L221 PolarHBondContact O-N 3.45Å
218	W	87.3	Confident	87.6	Confident	48 Å²	48	72.2 Å²	72.2	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-40	175.2	179.6	-111.8	0	0	0	112.7	W204 K205 V208 T212 F214 P215 N216 N222	W204-W218 AromaticContact CH2-CH2 3.44Å; W204-W218 HydrophobicContact CH2-CH2 3.44Å; W204-W218 VanDerWaalsContact CH2-CH2 3.44Å; W204-W218 AromaticContact CH2-CZ2 3.69Å; W204-W218 HydrophobicContact CH2-CZ2 3.69Å; W204-W218 AromaticContact CZ2-CH2 3.74Å; W204-W218 HydrophobicContact CZ2-CH2 3.74Å; W204-W218 HydrophobicContact CZ2-CZ2 4.08Å; W204-W218 HydrophobicContact CZ3-CH2 4.19Å; W204-W218 AromaticContact CZ3-CZ2 3.99Å; W204-W218 HydrophobicContact CZ3-CZ2 3.99Å; K205-W218 PolarHBondContact O-NE1 3.05Å; V208-W218 HydrophobicContact CB-CH2 4.48Å; V208-W218 HydrophobicContact CB-CZ2 3.84Å; V208-W218 HydrophobicContact CG1-CD2 3.85Å; V208-W218 HydrophobicContact CG1-CE3 4.11Å; V208-W218 HydrophobicContact CG1-CH2 3.83Å; V208-W218 HydrophobicContact CG1-CZ2 3.55Å; V208-W218 HydrophobicContact CG1-CZ3 4.1Å; V208-W218 HydrophobicContact CG2-CZ2 4.35Å; T212-W218 HydrophobicContact CG2-CB 4.19Å; F214-W218 PolarHBondContact O-N 3.19Å; F214-W218 VanDerWaalsContact O-N 3.16Å; P215-W218 WeakPolarHBondContact O-CB 3.47Å; P215-W218 PolarHBondContact O-N 3.3Å; N216-W218 VanDerWaalsContact C-N 3.29Å; N216-W218 PolarHBondContact O-N 2.93Å; W218-N222 PolarHBondContact NE1-ND2 2.9Å; W218-N222 PolarHBondContact O-N 2.87Å; W218-N222 VanDerWaalsContact O-N 3.09Å; W218-N222 PolarHBondContact O-ND2 2.75Å
219	R	85.5	Confident	87.7	Confident	105 Å²	105	72.1 Å²	72.1	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-46.2	175	-70.4	170.3	-178.8	175.9	-0.2	111.8	E209 P215 N216 L217 N222 L223	E209-R219 IonicContact OE1-CZ 2.8Å; E209-R219 IonicContact OE1-NE 2.9Å; E209-R219 PolarHBondContact OE1-NE 3.03Å; E209-R219 IonicContact OE1-NH2 3.84Å; E209-R219 PolarHBondContact OE1-NH2 3.36Å; P215-R219 WeakPolarHBondContact O-CG 3.5Å; P215-R219 PolarHBondContact O-N 2.86Å; N216-R219 WeakPolarHBondContact O-CB 3.29Å; N216-R219 PolarHBondContact O-N 3.4Å; N216-R219 VanDerWaalsContact O-N 3.14Å; L217-R219 VanDerWaalsContact C-N 3.31Å; L217-R219 PolarHBondContact O-N 2.66Å; R219-N222 PolarHBondContact O-N 2.71Å; R219-L223 WeakPolarHBondContact O-CG 3.28Å; R219-L223 PolarHBondContact O-N 2.91Å
220	V	84	Confident	87.9	Confident	30 Å²	30	71.3 Å²	71.3	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-49.9	177.2	179.3	0	0	0	0	111.2	N216 L217 N222 L223 I224 I318	N216-V220 PolarHBondContact O-N 3.48Å; N216-V220 VanDerWaalsContact O-N 3.09Å; L217-V220 PolarHBondContact O-N 2.84Å; V220-N222 VanDerWaalsContact C-N 3.26Å; V220-N222 PolarHBondContact O-N 3.18Å; V220-L223 WeakPolarHBondContact O-CB 3.38Å; V220-L223 PolarHBondContact O-N 3.23Å; V220-I224 HydrophobicContact CG1-CD1 3.65Å; V220-I224 HydrophobicContact CG1-CG1 4.14Å; V220-I224 WeakPolarHBondContact O-CG1 3.26Å; V220-I224 PolarHBondContact O-N 2.74Å; V220-I318 HydrophobicContact CG2-CD1 3.17Å
221	L	88.7	Confident	88.2	Confident	90 Å²	90	65.5 Å²	65.5	47%	0.471	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-39.7	-178.4	-69.3	174.6	0	0	0	111.8	L217 H225	L217-L221 HydrophobicContact CD1-CD1 4.38Å; L217-L221 HydrophobicContact CD1-CG 4.33Å; L217-L221 HydrophobicContact CG-CD1 4.13Å; L217-L221 WeakPolarHBondContact O-CG 3.43Å; L217-L221 PolarHBondContact O-N 3.45Å; L221-H225 WeakPolarHBondContact O-CB 3.33Å; L221-H225 PolarHBondContact O-N 2.91Å
222	N	90.5	Very high	88.6	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.102	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-37.6	174.5	-75.9	-53.6	0	0	0	112.8	W218 R219 V220 H225 I226	W218-N222 PolarHBondContact NE1-ND2 2.9Å; W218-N222 PolarHBondContact O-N 2.87Å; W218-N222 VanDerWaalsContact O-N 3.09Å; W218-N222 PolarHBondContact O-ND2 2.75Å; R219-N222 PolarHBondContact O-N 2.71Å; V220-N222 VanDerWaalsContact C-N 3.26Å; V220-N222 PolarHBondContact O-N 3.18Å; N222-H225 PolarHBondContact O-N 3.47Å; N222-I226 WeakPolarHBondContact O-CD1 3.33Å; N222-I226 WeakPolarHBondContact O-CG1 3.25Å; N222-I226 PolarHBondContact O-N 3.45Å
223	L	88.3	Confident	89.1	Confident	36 Å²	36	58.7 Å²	58.7	19%	0.188	29%	0.29	C	S	.	.	H	α-helix	trans	-69.5	-42.5	177.6	-71.9	168.7	0	0	0	111.9	R219 V220 H225 I226 L227 I311 Q314	R219-L223 WeakPolarHBondContact O-CG 3.28Å; R219-L223 PolarHBondContact O-N 2.91Å; V220-L223 WeakPolarHBondContact O-CB 3.38Å; V220-L223 PolarHBondContact O-N 3.23Å; L223-H225 VanDerWaalsContact C-N 3.3Å; L223-H225 PolarHBondContact O-N 3Å; L223-I226 PolarHBondContact O-N 3.13Å; L223-L227 PolarHBondContact O-N 3.03Å; L223-I311 HydrophobicContact CB-CG1 4.36Å; L223-Q314 HydrophobicContact CD1-CB 3.36Å; L223-Q314 HydrophobicContact CD1-CG 3.52Å
224	I	90.1	Very high	89.6	Confident	69 Å²	69	53.1 Å²	53.1	35%	0.354	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-45.3	172.4	-66.4	174.1	0	0	0	109.5	V220 I226 L227 F228	V220-I224 HydrophobicContact CG1-CD1 3.65Å; V220-I224 HydrophobicContact CG1-CG1 4.14Å; V220-I224 WeakPolarHBondContact O-CG1 3.26Å; V220-I224 PolarHBondContact O-N 2.74Å; I224-I226 VanDerWaalsContact C-N 3.34Å; I224-I226 PolarHBondContact O-N 3.25Å; I224-L227 WeakPolarHBondContact O-CB 3.39Å; I224-L227 PolarHBondContact O-N 3.44Å; I224-L227 VanDerWaalsContact O-N 3.14Å; I224-F228 HydrophobicContact CG2-CD2 3.72Å; I224-F228 HydrophobicContact CG2-CE2 3.69Å; I224-F228 VanDerWaalsContact O-CD2 3.27Å; I224-F228 WeakPolarHBondContact O-CD2 3.37Å; I224-F228 PolarHBondContact O-N 3.06Å
225	H	92.7	Very high	90.4	Very high	59 Å²	59	46.9 Å²	46.9	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-59.8	-42.6	176.3	176	-108.8	0	0	0	112.6	L98 W102 L221 N222 L223 L227 F228 L229	L98-H225 VanDerWaalsContact CD2-CE1 3.41Å; L98-H225 WeakPolarHBondContact CD2-CE1 3.16Å; W102-H225 AromaticContact CE2-NE2 3.87Å; W102-H225 AromaticContact CZ2-NE2 3.98Å; W102-H225 AromaticContact NE1-CE1 3.88Å; W102-H225 AromaticContact NE1-NE2 3.19Å; W102-H225 PolarHBondContact NE1-NE2 3.26Å; W102-H225 VanDerWaalsContact NE1-NE2 3.19Å; L221-H225 WeakPolarHBondContact O-CB 3.33Å; L221-H225 PolarHBondContact O-N 2.91Å; N222-H225 PolarHBondContact O-N 3.47Å; L223-H225 VanDerWaalsContact C-N 3.3Å; L223-H225 PolarHBondContact O-N 3Å; H225-L227 VanDerWaalsContact C-N 3.34Å; H225-L227 PolarHBondContact O-N 2.82Å; H225-F228 PolarHBondContact O-N 3.33Å; H225-L229 VanDerWaalsContact O-CB 3.29Å; H225-L229 WeakPolarHBondContact O-CB 3.32Å; H225-L229 PolarHBondContact O-N 3.11Å
226	I	90.9	Very high	91	Very high	75 Å²	75	44.6 Å²	44.6	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-40.9	174.5	-70.6	163.2	0	0	0	111.1	N222 L223 I224 L229 G230	N222-I226 WeakPolarHBondContact O-CD1 3.33Å; N222-I226 WeakPolarHBondContact O-CG1 3.25Å; N222-I226 PolarHBondContact O-N 3.45Å; L223-I226 PolarHBondContact O-N 3.13Å; I224-I226 VanDerWaalsContact C-N 3.34Å; I224-I226 PolarHBondContact O-N 3.25Å; I226-L229 PolarHBondContact O-N 3.44Å; I226-G230 PolarHBondContact O-N 2.81Å
227	L	90.4	Very high	91.7	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-50.6	175.2	178.3	64.3	0	0	0	111.6	L223 I224 H225 L229 G230 C231 V307 I311	L223-L227 PolarHBondContact O-N 3.03Å; I224-L227 WeakPolarHBondContact O-CB 3.39Å; I224-L227 PolarHBondContact O-N 3.44Å; I224-L227 VanDerWaalsContact O-N 3.14Å; H225-L227 VanDerWaalsContact C-N 3.34Å; H225-L227 PolarHBondContact O-N 2.82Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 2.94Å; L227-G230 CarbonylContact O-C 3.39Å; L227-G230 WeakPolarHBondContact O-CA 3.32Å; L227-G230 PolarHBondContact O-N 3.21Å; L227-C231 PolarHBondContact O-N 3.07Å; L227-C231 PolarHBondContact O-SG 2.86Å; L227-V307 HydrophobicContact CD1-CG1 3.87Å; L227-I311 HydrophobicContact CB-CD1 3.64Å; L227-I311 HydrophobicContact CD1-CD1 3.98Å; L227-I311 HydrophobicContact CD2-CD1 3.77Å; L227-I311 HydrophobicContact CG-CD1 3.99Å
228	F	93.2	Very high	92.4	Very high	106 Å²	106	43 Å²	43	47%	0.465	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-40.3	-179.9	-90.1	-107.8	0	0	0	111.7	W102 I224 H225 G230 C231 H232 F272	W102-F228 HydrophobicContact CH2-CB 4.11Å; W102-F228 HydrophobicContact CZ2-CB 4.36Å; I224-F228 HydrophobicContact CG2-CD2 3.72Å; I224-F228 HydrophobicContact CG2-CE2 3.69Å; I224-F228 VanDerWaalsContact O-CD2 3.27Å; I224-F228 WeakPolarHBondContact O-CD2 3.37Å; I224-F228 PolarHBondContact O-N 3.06Å; H225-F228 PolarHBondContact O-N 3.33Å; F228-G230 VanDerWaalsContact C-N 3.35Å; F228-C231 PolarHBondContact O-N 3.09Å; F228-H232 VanDerWaalsContact O-CB 3.31Å; F228-H232 WeakPolarHBondContact O-CB 3.38Å; F228-H232 PolarHBondContact O-N 3.23Å; F228-F272 HydrophobicContact CD1-CZ 4.11Å
229	L	93.9	Very high	92.8	Very high	22 Å²	22	42 Å²	42	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-42.1	172.4	178.4	69	0	0	0	111.2	L101 W102 H225 I226 L227 H232 W233	L101-L229 HydrophobicContact CD1-CD1 4.48Å; L101-L229 HydrophobicContact CD1-CD2 4.07Å; L101-L229 HydrophobicContact CD2-CD1 4.41Å; L101-L229 HydrophobicContact CD2-CD2 3.35Å; L101-L229 HydrophobicContact CG-CD1 3.82Å; L101-L229 HydrophobicContact CG-CD2 3.57Å; L101-L229 HydrophobicContact CG-CG 4.32Å; W102-L229 HydrophobicContact CD2-CD1 4Å; W102-L229 HydrophobicContact CG-CD1 4.02Å; W102-L229 HydrophobicContact CZ2-CB 3.98Å; W102-L229 HydrophobicContact CZ2-CD1 4.25Å; H225-L229 VanDerWaalsContact O-CB 3.29Å; H225-L229 WeakPolarHBondContact O-CB 3.32Å; H225-L229 PolarHBondContact O-N 3.11Å; I226-L229 PolarHBondContact O-N 3.44Å; L227-L229 VanDerWaalsContact C-N 3.29Å; L227-L229 PolarHBondContact O-N 2.94Å; L229-H232 WeakPolarHBondContact O-CB 3.22Å; L229-H232 PolarHBondContact O-N 3.25Å; L229-W233 VanDerWaalsContact O-CD1 3.23Å; L229-W233 PolarHBondContact O-N 2.92Å
230	G	93.4	Very high	93.3	Very high	20 Å²	20	39.3 Å²	39.3	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-56.5	-54.9	173.3	0	0	0	0	0	111.5	I226 L227 F228 H232 W233 F234	I226-G230 PolarHBondContact O-N 2.81Å; L227-G230 CarbonylContact O-C 3.39Å; L227-G230 WeakPolarHBondContact O-CA 3.32Å; L227-G230 PolarHBondContact O-N 3.21Å; F228-G230 VanDerWaalsContact C-N 3.35Å; G230-H232 PolarHBondContact O-N 3.49Å; G230-W233 PolarHBondContact O-N 2.81Å; G230-W233 VanDerWaalsContact O-N 3.13Å; G230-F234 VanDerWaalsContact O-CD2 3.32Å; G230-F234 WeakPolarHBondContact O-CD2 3.1Å; G230-F234 PolarHBondContact O-N 3.14Å
231	C	95.3	Very high	93.8	Very high	4 Å²	4	39 Å²	39	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-54.5	-41.7	175.8	-67.9	0	0	0	0	111.7	L227 F228 A235 F272 A275	L227-C231 PolarHBondContact O-N 3.07Å; L227-C231 PolarHBondContact O-SG 2.86Å; F228-C231 PolarHBondContact O-N 3.09Å; C231-A235 WeakPolarHBondContact O-CB 3.49Å; C231-A235 PolarHBondContact O-N 3.42Å; C231-F272 HydrophobicContact CB-CD2 4.21Å; C231-F272 HydrophobicContact CB-CE1 4.19Å; C231-F272 HydrophobicContact CB-CE2 3.58Å; C231-F272 HydrophobicContact CB-CZ 3.57Å; C231-A275 HydrophobicContact CB-CB 4.38Å; C231-A275 VanDerWaalsContact O-CB 3.23Å; C231-A275 WeakPolarHBondContact O-CB 3.38Å
232	H	96.3	Very high	94.1	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-61.4	-46.6	177.4	-179.4	76	0	0	0	112.9	W102 F228 L229 G230 A236 Y268 F272	W102-H232 HydrophobicContact CE3-CB 4.12Å; W102-H232 AromaticContact CE3-CD2 3.76Å; W102-H232 AromaticContact CE3-CG 3.62Å; W102-H232 AromaticContact CE3-ND1 3.78Å; W102-H232 HydrophobicContact CH2-CB 4.14Å; W102-H232 HydrophobicContact CZ3-CB 3.68Å; W102-H232 AromaticContact CZ3-CG 3.6Å; W102-H232 AromaticContact CZ3-ND1 3.74Å; W102-H232 PolarHBondContact O-NE2 3.03Å; F228-H232 VanDerWaalsContact O-CB 3.31Å; F228-H232 WeakPolarHBondContact O-CB 3.38Å; F228-H232 PolarHBondContact O-N 3.23Å; L229-H232 WeakPolarHBondContact O-CB 3.22Å; L229-H232 PolarHBondContact O-N 3.25Å; G230-H232 PolarHBondContact O-N 3.49Å; H232-A236 WeakPolarHBondContact O-CB 3.46Å; H232-A236 PolarHBondContact O-N 2.8Å; H232-A236 VanDerWaalsContact O-N 3.07Å; H232-Y268 AromaticContact CE1-CE2 3.69Å; H232-Y268 AromaticContact ND1-CE2 3.41Å; H232-Y268 WeakPolarHBondContact ND1-CE2 3.29Å; H232-Y268 AromaticContact ND1-CZ 3.62Å; H232-Y268 PolarHBondContact ND1-OH 2.83Å; H232-F272 HydrophobicContact CB-CE2 4.26Å
233	W	96.4	Very high	94.2	Very high	51 Å²	51	38.2 Å²	38.2	19%	0.193	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-46.1	178	-84.6	68.9	0	0	0	112.2	L101 I105 F192 L229 G230 A235 A236 F237	L101-W233 HydrophobicContact CD1-CZ2 3.9Å; L101-W233 WeakPolarHBondContact O-CZ2 3.31Å; L101-W233 PolarHBondContact O-NE1 3.21Å; I105-W233 HydrophobicContact CB-CD2 4.29Å; I105-W233 HydrophobicContact CB-CE3 4.4Å; I105-W233 HydrophobicContact CB-CH2 4.4Å; I105-W233 HydrophobicContact CB-CZ2 4.25Å; I105-W233 HydrophobicContact CB-CZ3 4.46Å; I105-W233 HydrophobicContact CD1-CE3 4.27Å; I105-W233 HydrophobicContact CD1-CZ3 4.22Å; I105-W233 HydrophobicContact CG1-CD2 4.14Å; I105-W233 HydrophobicContact CG1-CE3 3.96Å; I105-W233 HydrophobicContact CG1-CZ3 4.24Å; I105-W233 HydrophobicContact CG2-CD2 4.05Å; I105-W233 HydrophobicContact CG2-CG 4.22Å; I105-W233 HydrophobicContact CG2-CZ2 4.24Å; F192-W233 HydrophobicContact CD2-CH2 4.45Å; F192-W233 HydrophobicContact CE2-CH2 4.21Å; L229-W233 VanDerWaalsContact O-CD1 3.23Å; L229-W233 PolarHBondContact O-N 2.92Å; G230-W233 PolarHBondContact O-N 2.81Å; G230-W233 VanDerWaalsContact O-N 3.13Å; W233-A235 VanDerWaalsContact C-N 3.32Å; W233-A235 PolarHBondContact O-N 3.24Å; W233-A236 PolarHBondContact O-N 3.02Å; W233-F237 AromaticContact CE3-CE2 3.72Å; W233-F237 HydrophobicContact CE3-CE2 3.72Å; W233-F237 HydrophobicContact CE3-CZ 4.09Å; W233-F237 HydrophobicContact CZ3-CE2 4.33Å; W233-F237 HydrophobicContact CZ3-CZ 4.26Å; W233-F237 VanDerWaalsContact O-CD2 3.24Å; W233-F237 WeakPolarHBondContact O-CD2 3.23Å; W233-F237 PolarHBondContact O-N 3.31Å
234	F	96.2	Very high	94.5	Very high	29 Å²	29	45.4 Å²	45.4	13%	0.127	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-36.5	177.1	-83.6	-82.4	0	0	0	112.2	G230 F237 Y238 A275 L279 F296 S300 T303	G230-F234 VanDerWaalsContact O-CD2 3.32Å; G230-F234 WeakPolarHBondContact O-CD2 3.1Å; G230-F234 PolarHBondContact O-N 3.14Å; F234-F237 PolarHBondContact O-N 3.15Å; F234-Y238 VanDerWaalsContact O-CB 3.22Å; F234-Y238 WeakPolarHBondContact O-CB 3.23Å; F234-Y238 PolarHBondContact O-N 3Å; F234-A275 HydrophobicContact CB-CB 3.95Å; F234-L279 HydrophobicContact CB-CD1 3.86Å; F234-L279 HydrophobicContact CD1-CD1 4.34Å; F234-L279 HydrophobicContact CD2-CD1 3.77Å; F234-L279 HydrophobicContact CD2-CD2 3.94Å; F234-L279 HydrophobicContact CD2-CG 4.35Å; F234-L279 HydrophobicContact CE2-CD1 4.42Å; F234-L279 HydrophobicContact CE2-CD2 4.38Å; F234-L279 HydrophobicContact CG-CD1 3.73Å; F234-F296 AromaticContact CD1-CE2 4Å; F234-F296 HydrophobicContact CD1-CE2 4Å; F234-F296 AromaticContact CD1-CZ 3.84Å; F234-F296 HydrophobicContact CD1-CZ 3.84Å; F234-F296 HydrophobicContact CE1-CE2 4.28Å; F234-S300 VanDerWaalsContact CD1-OG 3.25Å; F234-S300 WeakPolarHBondContact CD1-OG 3.36Å; F234-S300 WeakPolarHBondContact CE1-OG 3.5Å; F234-T303 HydrophobicContact CE2-CG2 3.84Å; F234-T303 HydrophobicContact CZ-CG2 3.86Å
235	A	97	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-44.4	173.8	0	0	0	0	0	112.1	C231 W233 Y238 Y239 S271 F272 A275	C231-A235 WeakPolarHBondContact O-CB 3.49Å; C231-A235 PolarHBondContact O-N 3.42Å; W233-A235 VanDerWaalsContact C-N 3.32Å; W233-A235 PolarHBondContact O-N 3.24Å; A235-Y238 PolarHBondContact O-N 3.28Å; A235-Y239 PolarHBondContact O-N 2.91Å; A235-S271 VanDerWaalsContact CB-C 3.45Å; A235-S271 WeakPolarHBondContact CB-O 3.45Å; A235-F272 HydrophobicContact CB-CB 4.34Å; A235-A275 HydrophobicContact CB-CB 3.95Å
236	A	97	Very high	94.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-42.9	177.6	0	0	0	0	0	111.7	I105 A109 F110 H232 W233 Y239 L240	I105-A236 HydrophobicContact CD1-CB 4.43Å; I105-A236 HydrophobicContact CG1-CB 3.63Å; A109-A236 HydrophobicContact CB-CB 3.68Å; A109-A236 WeakPolarHBondContact CB-O 3.36Å; F110-A236 HydrophobicContact CE2-CB 4.45Å; H232-A236 WeakPolarHBondContact O-CB 3.46Å; H232-A236 PolarHBondContact O-N 2.8Å; H232-A236 VanDerWaalsContact O-N 3.07Å; W233-A236 PolarHBondContact O-N 3.02Å; A236-Y239 PolarHBondContact O-N 3.5Å; A236-L240 WeakPolarHBondContact O-CB 3.37Å; A236-L240 WeakPolarHBondContact O-CG 3.44Å; A236-L240 PolarHBondContact O-N 3.06Å
237	F	96.4	Very high	94.6	Very high	88 Å²	88	42.4 Å²	42.4	39%	0.386	20%	0.202	S	C	.	.	H	α-helix	trans	-65.1	-41.3	174.3	-77.2	-55	0	0	0	113	I105 W233 F234 Y239 L240 L241 F296	I105-F237 HydrophobicContact CD1-CE1 4.24Å; I105-F237 HydrophobicContact CD1-CZ 4.27Å; W233-F237 AromaticContact CE3-CE2 3.72Å; W233-F237 HydrophobicContact CE3-CE2 3.72Å; W233-F237 HydrophobicContact CE3-CZ 4.09Å; W233-F237 HydrophobicContact CZ3-CE2 4.33Å; W233-F237 HydrophobicContact CZ3-CZ 4.26Å; W233-F237 VanDerWaalsContact O-CD2 3.24Å; W233-F237 WeakPolarHBondContact O-CD2 3.23Å; W233-F237 PolarHBondContact O-N 3.31Å; F234-F237 PolarHBondContact O-N 3.15Å; F237-Y239 VanDerWaalsContact C-N 3.32Å; F237-Y239 PolarHBondContact O-N 3.19Å; F237-L240 HydrophobicContact CD1-CD1 4.35Å; F237-L240 PolarHBondContact O-N 2.94Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.1Å; F237-F296 HydrophobicContact CB-CE2 3.69Å; F237-F296 HydrophobicContact CB-CZ 3.75Å; F237-F296 HydrophobicContact CG-CE2 4.47Å
238	Y	96	Very high	94.5	Very high	17 Å²	17	49.2 Å²	49.2	7%	0.067	23%	0.231	C	C	.	.	H	α-helix	trans	-56.1	-47.4	174.5	165.5	-102.8	0	0	0	111.4	F234 A235 L241 S242 W251 Y253 W274	F234-Y238 VanDerWaalsContact O-CB 3.22Å; F234-Y238 WeakPolarHBondContact O-CB 3.23Å; F234-Y238 PolarHBondContact O-N 3Å; A235-Y238 PolarHBondContact O-N 3.28Å; Y238-L241 PolarHBondContact O-N 2.79Å; Y238-S242 WeakPolarHBondContact O-CB 3.33Å; Y238-S242 PolarHBondContact O-N 3.25Å; Y238-S242 PolarHBondContact O-OG 2.63Å; Y238-W251 AromaticContact CD2-CH2 3.73Å; Y238-W251 HydrophobicContact CD2-CH2 3.73Å; Y238-W251 HydrophobicContact CD2-CZ2 4.2Å; Y238-W251 HydrophobicContact CD2-CZ3 4Å; Y238-W251 HydrophobicContact CE2-CE3 4.33Å; Y238-W251 HydrophobicContact CE2-CH2 4.18Å; Y238-W251 HydrophobicContact CE2-CZ3 4.1Å; Y238-W251 WeakPolarHBondContact CE2-O 3.34Å; Y238-W251 PolarHBondContact OH-O 2.85Å; Y238-Y253 PolarHBondContact OH-N 2.83Å; Y238-W274 HydrophobicContact CD1-CB 4.26Å; Y238-W274 HydrophobicContact CD1-CD2 4.32Å; Y238-W274 HydrophobicContact CD1-CE3 4.42Å; Y238-W274 HydrophobicContact CD1-CG 4.22Å; Y238-W274 AromaticContact CD2-CD2 3.41Å; Y238-W274 HydrophobicContact CD2-CD2 3.41Å; Y238-W274 VanDerWaalsContact CD2-CD2 3.41Å; Y238-W274 AromaticContact CD2-CE2 3.51Å; Y238-W274 AromaticContact CD2-CE3 3.71Å; Y238-W274 HydrophobicContact CD2-CE3 3.71Å; Y238-W274 AromaticContact CD2-CG 3.84Å; Y238-W274 HydrophobicContact CD2-CG 3.84Å; Y238-W274 HydrophobicContact CD2-CH2 4.29Å; Y238-W274 AromaticContact CD2-CZ2 3.99Å; Y238-W274 HydrophobicContact CD2-CZ2 3.99Å; Y238-W274 HydrophobicContact CD2-CZ3 4.14Å; Y238-W274 AromaticContact CD2-NE1 3.82Å; Y238-W274 HydrophobicContact CE1-CB 4.07Å; Y238-W274 HydrophobicContact CE1-CG 4.07Å; Y238-W274 AromaticContact CE2-CD1 3.49Å; Y238-W274 VanDerWaalsContact CE2-CD1 3.49Å; Y238-W274 AromaticContact CE2-CD2 3.72Å; Y238-W274 HydrophobicContact CE2-CD2 3.72Å; Y238-W274 AromaticContact CE2-CE2 3.66Å; Y238-W274 HydrophobicContact CE2-CE3 4.46Å; Y238-W274 AromaticContact CE2-CG 3.69Å; Y238-W274 HydrophobicContact CE2-CG 3.69Å; Y238-W274 HydrophobicContact CE2-CZ2 4.42Å; Y238-W274 AromaticContact CE2-NE1 3.43Å; Y238-W274 AromaticContact CG-CD2 3.73Å; Y238-W274 HydrophobicContact CG-CD2 3.73Å; Y238-W274 AromaticContact CG-CE3 3.67Å; Y238-W274 HydrophobicContact CG-CE3 3.67Å; Y238-W274 HydrophobicContact CG-CG 4.09Å; Y238-W274 HydrophobicContact CG-CZ3 4.26Å; Y238-W274 AromaticContact CZ-CD1 3.67Å; Y238-W274 AromaticContact CZ-CG 3.79Å
239	Y	96	Very high	94.2	Very high	26 Å²	26	45.8 Å²	45.8	10%	0.102	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-43.6	177.1	-176.2	-99.8	0	0	0	112.2	A109 F110 A235 A236 F237 L241 S242 K243 F247 Y253 I267	A109-Y239 HydrophobicContact CB-CD1 4.33Å; A109-Y239 VanDerWaalsContact O-CD1 3.25Å; A109-Y239 WeakPolarHBondContact O-CD1 3.47Å; A109-Y239 WeakPolarHBondContact O-CE1 3.48Å; F110-Y239 AromaticContact CD1-CD1 3.91Å; F110-Y239 HydrophobicContact CD1-CD1 3.91Å; F110-Y239 HydrophobicContact CD1-CE1 4.11Å; F110-Y239 HydrophobicContact CD1-CG 4.17Å; F110-Y239 AromaticContact CE1-CD1 3.86Å; F110-Y239 HydrophobicContact CE1-CD1 3.86Å; F110-Y239 HydrophobicContact CE1-CD2 4.13Å; F110-Y239 HydrophobicContact CE1-CE1 4.44Å; F110-Y239 AromaticContact CE1-CG 3.67Å; F110-Y239 HydrophobicContact CE1-CG 3.67Å; F110-Y239 HydrophobicContact CZ-CG 4.43Å; A235-Y239 PolarHBondContact O-N 2.91Å; A236-Y239 PolarHBondContact O-N 3.5Å; F237-Y239 VanDerWaalsContact C-N 3.32Å; F237-Y239 PolarHBondContact O-N 3.19Å; Y239-L241 VanDerWaalsContact C-N 3.33Å; Y239-L241 PolarHBondContact O-N 3.33Å; Y239-S242 PolarHBondContact O-N 2.86Å; Y239-K243 WeakPolarHBondContact O-CB 3.17Å; Y239-K243 PolarHBondContact O-N 2.86Å; Y239-F247 HydrophobicContact CE2-CE1 4.03Å; Y239-F247 HydrophobicContact CE2-CZ 4.24Å; Y239-Y253 HydrophobicContact CD2-CD1 4.41Å; Y239-Y253 HydrophobicContact CD2-CG 4.16Å; Y239-Y253 HydrophobicContact CE2-CD1 4.04Å; Y239-Y253 HydrophobicContact CE2-CE1 4.46Å; Y239-Y253 HydrophobicContact CE2-CG 4.25Å; Y239-I267 HydrophobicContact CD2-CG2 3.66Å; Y239-I267 HydrophobicContact CE2-CG2 3.28Å
240	L	95.8	Very high	94	Very high	50 Å²	50	48.7 Å²	48.7	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-42.5	175.8	-78.2	169	0	0	0	112.2	I105 A109 A236 F237 K243 Y244	I105-L240 HydrophobicContact CD1-CD1 4.49Å; A109-L240 HydrophobicContact CB-CD1 4.1Å; A109-L240 HydrophobicContact CB-CD2 4.31Å; A109-L240 HydrophobicContact CB-CG 3.78Å; A236-L240 WeakPolarHBondContact O-CB 3.37Å; A236-L240 WeakPolarHBondContact O-CG 3.44Å; A236-L240 PolarHBondContact O-N 3.06Å; F237-L240 HydrophobicContact CD1-CD1 4.35Å; F237-L240 PolarHBondContact O-N 2.94Å; L240-K243 PolarHBondContact O-N 3.37Å; L240-Y244 WeakPolarHBondContact O-CB 3.34Å; L240-Y244 PolarHBondContact O-N 2.83Å
241	L	95.5	Very high	94	Very high	23 Å²	23	48 Å²	48	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-41.2	178.8	-172.6	61.9	0	0	0	111.4	F237 Y238 Y239 K243 Y244 E245 W251 I292 E293 F296	F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.1Å; Y238-L241 PolarHBondContact O-N 2.79Å; Y239-L241 VanDerWaalsContact C-N 3.33Å; Y239-L241 PolarHBondContact O-N 3.33Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 3.02Å; L241-Y244 HydrophobicContact CD1-CD1 4.33Å; L241-Y244 WeakPolarHBondContact O-CB 3.48Å; L241-Y244 PolarHBondContact O-N 2.88Å; L241-Y244 VanDerWaalsContact O-N 3.11Å; L241-E245 PolarHBondContact O-N 3.07Å; L241-W251 HydrophobicContact CD2-CH2 3.81Å; L241-W251 HydrophobicContact CD2-CZ3 3.95Å; L241-W251 HydrophobicContact CG-CZ3 4.38Å; L241-I292 HydrophobicContact CD1-CG1 3.73Å; L241-I292 HydrophobicContact CD1-CG2 4.02Å; L241-I292 HydrophobicContact CD2-CG1 4.45Å; L241-E293 HydrophobicContact CD2-CG 4.41Å; L241-F296 HydrophobicContact CD2-CB 3.85Å; L241-F296 HydrophobicContact CD2-CD1 4.07Å; L241-F296 HydrophobicContact CD2-CG 4.01Å
242	S	94.6	Very high	93.8	Very high	1 Å²	1	48 Å²	48	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-40.3	173.7	-58.1	0	0	0	0	111.6	Y238 Y239 G246 F247 G252 Y253	Y238-S242 WeakPolarHBondContact O-CB 3.33Å; Y238-S242 PolarHBondContact O-N 3.25Å; Y238-S242 PolarHBondContact O-OG 2.63Å; Y239-S242 PolarHBondContact O-N 2.86Å; S242-G246 PolarHBondContact O-N 3.13Å; S242-F247 WeakPolarHBondContact O-CD1 3.41Å; S242-F247 PolarHBondContact O-N 3.41Å; S242-G252 WeakPolarHBondContact OG-CA 3.47Å; S242-Y253 PolarHBondContact OG-N 2.94Å
243	K	93.4	Very high	93.5	Very high	91 Å²	91	48.1 Å²	48.1	40%	0.396	23%	0.229	S	C	.	.	H	α-helix	trans	-67	-39.2	174.9	-174.3	176.3	-179.3	175.4	0	112	Y239 L240 L241 G246 F247	Y239-K243 WeakPolarHBondContact O-CB 3.17Å; Y239-K243 PolarHBondContact O-N 2.86Å; L240-K243 PolarHBondContact O-N 3.37Å; L241-K243 VanDerWaalsContact C-N 3.26Å; L241-K243 PolarHBondContact O-N 3.02Å; K243-G246 PolarHBondContact O-N 2.94Å; K243-G246 VanDerWaalsContact O-N 3.13Å; K243-F247 HydrophobicContact CB-CE1 3.97Å; K243-F247 HydrophobicContact CB-CE2 4.28Å; K243-F247 HydrophobicContact CB-CZ 3.59Å; K243-F247 HydrophobicContact CG-CE2 4.17Å; K243-F247 HydrophobicContact CG-CZ 3.85Å
244	Y	94.3	Very high	93.1	Very high	187 Å²	187	49.4 Å²	49.4	73%	0.733	24%	0.237	S	C	*	.	H	α-helix	trans	-63.5	-41.5	176.7	176.7	-96.7	0	0	0	112.3	L240 L241 G246	L240-Y244 WeakPolarHBondContact O-CB 3.34Å; L240-Y244 PolarHBondContact O-N 2.83Å; L241-Y244 HydrophobicContact CD1-CD1 4.33Å; L241-Y244 WeakPolarHBondContact O-CB 3.48Å; L241-Y244 PolarHBondContact O-N 2.88Å; L241-Y244 VanDerWaalsContact O-N 3.11Å; Y244-G246 PolarHBondContact O-N 3.38Å
245	E	92.9	Very high	92.5	Very high	50 Å²	50	50.9 Å²	50.9	23%	0.234	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.6	174.2	-69.3	-73.8	177.2	0	0	113.1	L241 F247 S290 I292	L241-E245 PolarHBondContact O-N 3.07Å; E245-F247 PolarHBondContact O-N 3.47Å; E245-S290 PolarHBondContact OE1-OG 3.26Å; E245-I292 WeakPolarHBondContact OE1-CG2 3.45Å
246	G	91.4	Very high	91.5	Very high	39 Å²	39	55.6 Å²	55.6	40%	0.402	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	25.7	175.8	0	0	0	0	0	114.8	S242 K243 Y244 K248	S242-G246 PolarHBondContact O-N 3.13Å; K243-G246 PolarHBondContact O-N 2.94Å; K243-G246 VanDerWaalsContact O-N 3.13Å; Y244-G246 PolarHBondContact O-N 3.38Å; G246-K248 WeakPolarHBondContact O-CG 3.12Å; G246-K248 PolarHBondContact O-N 3.47Å; G246-K248 VanDerWaalsContact O-N 3.17Å
247	F	91.5	Very high	90	Very high	51 Å²	51	66.4 Å²	66.4	22%	0.224	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	23.5	177.9	-50.7	-66.6	0	0	0	115.3	Y239 S242 K243 E245 Y253 Q254 P255	Y239-F247 HydrophobicContact CE2-CE1 4.03Å; Y239-F247 HydrophobicContact CE2-CZ 4.24Å; S242-F247 WeakPolarHBondContact O-CD1 3.41Å; S242-F247 PolarHBondContact O-N 3.41Å; K243-F247 HydrophobicContact CB-CE1 3.97Å; K243-F247 HydrophobicContact CB-CE2 4.28Å; K243-F247 HydrophobicContact CB-CZ 3.59Å; K243-F247 HydrophobicContact CG-CE2 4.17Å; K243-F247 HydrophobicContact CG-CZ 3.85Å; E245-F247 PolarHBondContact O-N 3.47Å; F247-Y253 HydrophobicContact CD1-CD1 4.21Å; F247-Y253 VanDerWaalsContact CD1-O 3.23Å; F247-Y253 WeakPolarHBondContact CD1-O 3.48Å; F247-Y253 HydrophobicContact CE1-CD1 4.17Å; F247-Q254 PolarHBondContact O-NE2 2.96Å; F247-Q254 PolarHBondContact O-OE1 3.46Å; F247-P255 HydrophobicContact CB-CG 3.97Å; F247-P255 HydrophobicContact CD2-CG 4.34Å; F247-P255 HydrophobicContact CG-CG 4.15Å
248	K	87.8	Confident	88.3	Confident	170 Å²	170	69.5 Å²	69.5	74%	0.739	34%	0.335	S	S	*	.			trans	-85.3	-30.3	-175.3	-60.3	178.4	-175.3	173.1	0	113.7	G246	G246-K248 WeakPolarHBondContact O-CG 3.12Å; G246-K248 PolarHBondContact O-N 3.47Å; G246-K248 VanDerWaalsContact O-N 3.17Å
249	N	88	Confident	86.4	Confident	34 Å²	34	72.5 Å²	72.5	18%	0.182	35%	0.352	C	S	.	.	S	Bend	trans	-89	138.3	-170	-61	-31.5	0	0	0	111.4	W251 G252 Q254 T289 E293	N249-W251 PolarHBondContact O-N 3.37Å; N249-G252 PolarHBondContact O-N 3.39Å; N249-Q254 PolarHBondContact O-NE2 2.96Å; N249-T289 VanDerWaalsContact CG-OG1 3.26Å; N249-T289 PolarHBondContact OD1-OG1 3.2Å; N249-E293 WeakPolarHBondContact CB-OE1 3.29Å; N249-E293 PolarHBondContact ND2-OE1 2.73Å
250	P	89.7	Confident	84.9	Confident	83 Å²	83	80.8 Å²	80.8	54%	0.539	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	-178.4	26.4	-35.1	0	0	0	113.4	G252 T289	P250-G252 VanDerWaalsContact C-N 3.33Å; P250-T289 HydrophobicContact CG-CG2 4.49Å
251	W	91.7	Very high	83.2	Confident	7 Å²	7	83 Å²	83	3%	0.027	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.6	173	175.4	94	0	0	0	112.6	Y238 L241 N249 W274 P288 E293 F296 T297	Y238-W251 AromaticContact CD2-CH2 3.73Å; Y238-W251 HydrophobicContact CD2-CH2 3.73Å; Y238-W251 HydrophobicContact CD2-CZ2 4.2Å; Y238-W251 HydrophobicContact CD2-CZ3 4Å; Y238-W251 HydrophobicContact CE2-CE3 4.33Å; Y238-W251 HydrophobicContact CE2-CH2 4.18Å; Y238-W251 HydrophobicContact CE2-CZ3 4.1Å; Y238-W251 WeakPolarHBondContact CE2-O 3.34Å; Y238-W251 PolarHBondContact OH-O 2.85Å; L241-W251 HydrophobicContact CD2-CH2 3.81Å; L241-W251 HydrophobicContact CD2-CZ3 3.95Å; L241-W251 HydrophobicContact CG-CZ3 4.38Å; N249-W251 PolarHBondContact O-N 3.37Å; W251-W274 AromaticContact CE2-CZ2 3.79Å; W251-W274 HydrophobicContact CH2-CZ2 4.2Å; W251-W274 AromaticContact CZ2-CH2 3.9Å; W251-W274 HydrophobicContact CZ2-CH2 3.9Å; W251-W274 AromaticContact CZ2-CZ2 3.34Å; W251-W274 HydrophobicContact CZ2-CZ2 3.34Å; W251-W274 AromaticContact NE1-CZ2 3.94Å; W251-P288 VanDerWaalsContact CD1-CA 3.49Å; W251-P288 HydrophobicContact CG-CB 4.14Å; W251-E293 HydrophobicContact CD2-CB 4Å; W251-E293 HydrophobicContact CD2-CG 4.1Å; W251-E293 HydrophobicContact CE3-CB 3.9Å; W251-E293 HydrophobicContact CE3-CG 3.51Å; W251-E293 HydrophobicContact CH2-CB 4.43Å; W251-E293 HydrophobicContact CH2-CG 4.43Å; W251-E293 HydrophobicContact CZ2-CB 4.46Å; W251-E293 HydrophobicContact CZ3-CB 4.14Å; W251-E293 HydrophobicContact CZ3-CG 3.72Å; W251-F296 AromaticContact CH2-CD1 3.57Å; W251-F296 HydrophobicContact CH2-CD1 3.57Å; W251-F296 HydrophobicContact CH2-CE1 4.01Å; W251-F296 AromaticContact CZ2-CD1 3.73Å; W251-F296 HydrophobicContact CZ2-CD1 3.73Å; W251-F296 HydrophobicContact CZ2-CE1 4.25Å; W251-T297 WeakPolarHBondContact CZ2-OG1 3.34Å; W251-T297 PolarHBondContact NE1-OG1 2.86Å; W251-T297 VanDerWaalsContact NE1-OG1 3.08Å
252	G	91.3	Very high	82	Confident	4 Å²	4	83.8 Å²	83.8	4%	0.041	41%	0.408	C	S	.	.	S	Bend	trans	-83.1	172.5	-176.8	0	0	0	0	0	113.4	S242 N249 P250 Q254	S242-G252 WeakPolarHBondContact OG-CA 3.47Å; N249-G252 PolarHBondContact O-N 3.39Å; P250-G252 VanDerWaalsContact C-N 3.33Å; G252-Q254 PolarHBondContact O-N 3.24Å
253	Y	91.4	Very high	81.6	Confident	9 Å²	9	86.8 Å²	86.8	4%	0.035	43%	0.427	C	S	.	.			trans	-59.1	123.4	176.6	-178.4	-90.7	0	0	0	111	Y238 Y239 S242 F247 P255 D262 I267 K270	Y238-Y253 PolarHBondContact OH-N 2.83Å; Y239-Y253 HydrophobicContact CD2-CD1 4.41Å; Y239-Y253 HydrophobicContact CD2-CG 4.16Å; Y239-Y253 HydrophobicContact CE2-CD1 4.04Å; Y239-Y253 HydrophobicContact CE2-CE1 4.46Å; Y239-Y253 HydrophobicContact CE2-CG 4.25Å; S242-Y253 PolarHBondContact OG-N 2.94Å; F247-Y253 HydrophobicContact CD1-CD1 4.21Å; F247-Y253 VanDerWaalsContact CD1-O 3.23Å; F247-Y253 WeakPolarHBondContact CD1-O 3.48Å; F247-Y253 HydrophobicContact CE1-CD1 4.17Å; Y253-P255 HydrophobicContact CE1-CB 4.07Å; Y253-P255 WeakPolarHBondContact O-CD 3.45Å; Y253-D262 PolarHBondContact OH-OD2 3.5Å; Y253-I267 HydrophobicContact CE1-CG2 4.4Å; Y253-I267 HydrophobicContact CE2-CB 4.46Å; Y253-I267 HydrophobicContact CE2-CG2 4.07Å; Y253-K270 HydrophobicContact CD2-CB 4.37Å; Y253-K270 HydrophobicContact CE2-CB 3.96Å; Y253-K270 HydrophobicContact CE2-CD 3.63Å; Y253-K270 HydrophobicContact CE2-CG 4.46Å
254	Q	87.7	Confident	81.3	Confident	78 Å²	78	84.5 Å²	84.5	36%	0.364	42%	0.418	S	S	.	.			trans	-100.2	104	177.8	-68	-62	-46.7	0	0	110.8	F247 N249 G252 H256	F247-Q254 PolarHBondContact O-NE2 2.96Å; F247-Q254 PolarHBondContact O-OE1 3.46Å; N249-Q254 PolarHBondContact O-NE2 2.96Å; G252-Q254 PolarHBondContact O-N 3.24Å; Q254-H256 PolarHBondContact O-N 3.08Å; Q254-H256 PolarHBondContact O-ND1 3.18Å; Q254-H256 VanDerWaalsContact O-ND1 3.11Å
255	P	83.9	Confident	81.1	Confident	61 Å²	61	79 Å²	79	40%	0.396	41%	0.407	S	S	.	.			trans	-67	129.7	176	27.3	-32.2	0	0	0	109.9	F247 Y253 Y257	F247-P255 HydrophobicContact CB-CG 3.97Å; F247-P255 HydrophobicContact CD2-CG 4.34Å; F247-P255 HydrophobicContact CG-CG 4.15Å; Y253-P255 HydrophobicContact CE1-CB 4.07Å; Y253-P255 WeakPolarHBondContact O-CD 3.45Å; P255-Y257 PolarHBondContact O-N 2.8Å
256	H	76.3	Confident	81	Confident	99 Å²	99	83 Å²	83	46%	0.458	42%	0.42	S	S	.	.			trans	-89.8	96.1	177	-75	56.4	0	0	0	108.9	Q254 N258 N259 D262	Q254-H256 PolarHBondContact O-N 3.08Å; Q254-H256 PolarHBondContact O-ND1 3.18Å; Q254-H256 VanDerWaalsContact O-ND1 3.11Å; H256-N258 PolarHBondContact O-N 2.91Å; H256-N259 HydrophobicContact CB-CB 4.22Å; H256-N259 PolarHBondContact O-N 3.4Å; H256-D262 PolarHBondContact N-OD2 3.37Å
257	Y	64.7	Low	81.1	Confident	227 Å²	227	81.9 Å²	81.9	89%	0.89	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.8	-173.6	-146.1	-88.9	0	0	0	114.1	P255	P255-Y257 PolarHBondContact O-N 2.8Å
258	N	59.7	Low	81.2	Confident	152 Å²	152	82.3 Å²	82.3	81%	0.813	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.6	-174	-68	-2.7	0	0	0	114.8	H256	H256-N258 PolarHBondContact O-N 2.91Å
259	N	57.4	Low	81.5	Confident	80 Å²	80	79.1 Å²	79.1	43%	0.428	40%	0.396	S	S	.	.			trans	-106.4	110.9	-178.8	-78	-15.5	0	0	0	110	H256 N261 D262	H256-N259 HydrophobicContact CB-CB 4.22Å; H256-N259 PolarHBondContact O-N 3.4Å; N259-N261 HydrophobicContact CB-CB 4.26Å; N259-N261 PolarHBondContact O-N 2.8Å; N259-D262 PolarHBondContact O-N 2.83Å
260	E	63.8	Low	81.7	Confident	201 Å²	201	81.5 Å²	81.5	94%	0.939	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-8.2	162.8	-64.8	-176.9	164.6	0	0	112.9
261	N	60.4	Low	82	Confident	95 Å²	95	77.5 Å²	77.5	51%	0.508	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.3	-178	-67.8	-33.5	0	0	0	115.6	N259 T263 R266	N259-N261 HydrophobicContact CB-CB 4.26Å; N259-N261 PolarHBondContact O-N 2.8Å; N261-T263 PolarHBondContact O-N 3.04Å; N261-R266 WeakPolarHBondContact O-CD 3.4Å; N261-R266 PolarHBondContact O-NE 3.25Å
262	D	70.7	Confident	82.2	Confident	40 Å²	40	78.9 Å²	78.9	21%	0.214	39%	0.385	C	S	.	.			trans	-74.4	70.8	178.8	-92.1	-0.4	0	0	0	110.8	Y253 H256 N259 K270	Y253-D262 PolarHBondContact OH-OD2 3.5Å; H256-D262 PolarHBondContact N-OD2 3.37Å; N259-D262 PolarHBondContact O-N 2.83Å; D262-K270 IonicContact OD1-NZ 3.67Å
263	T	86	Confident	82.3	Confident	65 Å²	65	86 Å²	86	40%	0.399	41%	0.411	S	S	.	.			trans	-68.5	151.1	170.9	66.2	0	0	0	0	110.3	N261 S265 R266 I267	N261-T263 PolarHBondContact O-N 3.04Å; T263-S265 PolarHBondContact O-N 3.41Å; T263-S265 PolarHBondContact OG1-OG 3.44Å; T263-R266 WeakPolarHBondContact O-CA 3.3Å; T263-R266 WeakPolarHBondContact O-CB 3.47Å; T263-R266 PolarHBondContact O-N 3.44Å; T263-R266 WeakPolarHBondContact OG1-CG 3.44Å; T263-R266 PolarHBondContact OG1-N 3.4Å; T263-I267 PolarHBondContact O-N 3.05Å; T263-I267 VanDerWaalsContact O-N 3.1Å
264	I	87.8	Confident	82.4	Confident	43 Å²	43	86 Å²	86	22%	0.221	41%	0.412	C	S	.	.	H	α-helix	trans	-47.7	-41	173.7	-60.7	167.4	0	0	0	111.3	E112 L113 I267 Y268	E112-I264 HydrophobicContact CB-CD1 3.63Å; E112-I264 HydrophobicContact CB-CG1 3.84Å; E112-I264 VanDerWaalsContact OE2-CG1 3.22Å; E112-I264 WeakPolarHBondContact OE2-CG1 3.4Å; L113-I264 HydrophobicContact CB-CG2 4.33Å; I264-I267 PolarHBondContact O-N 3.4Å; I264-Y268 WeakPolarHBondContact O-CB 3.27Å; I264-Y268 PolarHBondContact O-N 3.24Å
265	S	89.2	Confident	82.8	Confident	71 Å²	71	82.3 Å²	82.3	50%	0.497	39%	0.394	S	S	.	.	H	α-helix	trans	-62.2	-39.9	176.9	35.4	0	0	0	0	113	T263 L269	T263-S265 PolarHBondContact O-N 3.41Å; T263-S265 PolarHBondContact OG1-OG 3.44Å; S265-L269 WeakPolarHBondContact O-CB 3.37Å; S265-L269 WeakPolarHBondContact O-CG 3.49Å; S265-L269 PolarHBondContact O-N 3.03Å
266	R	90.5	Very high	83.2	Confident	134 Å²	134	81.6 Å²	81.6	51%	0.506	39%	0.389	S	S	.	.	H	α-helix	trans	-69.4	-39.5	175.5	-73.6	-166.1	-166.4	-99.2	-0.4	112.7	N261 T263 Y268 L269 K270	N261-R266 WeakPolarHBondContact O-CD 3.4Å; N261-R266 PolarHBondContact O-NE 3.25Å; T263-R266 WeakPolarHBondContact O-CA 3.3Å; T263-R266 WeakPolarHBondContact O-CB 3.47Å; T263-R266 PolarHBondContact O-N 3.44Å; T263-R266 WeakPolarHBondContact OG1-CG 3.44Å; T263-R266 PolarHBondContact OG1-N 3.4Å; R266-Y268 VanDerWaalsContact C-N 3.33Å; R266-L269 PolarHBondContact O-N 3.4Å; R266-K270 WeakPolarHBondContact O-CB 3.39Å; R266-K270 WeakPolarHBondContact O-CG 3.35Å; R266-K270 PolarHBondContact O-N 3.48Å
267	I	92.7	Very high	84	Confident	15 Å²	15	77.8 Å²	77.8	8%	0.077	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-47.8	176.5	-58.1	174.2	0	0	0	109.7	F110 Y239 Y253 T263 I264 S271	F110-I267 HydrophobicContact CD1-CG2 4.11Å; F110-I267 HydrophobicContact CE1-CG2 4.01Å; Y239-I267 HydrophobicContact CD2-CG2 3.66Å; Y239-I267 HydrophobicContact CE2-CG2 3.28Å; Y253-I267 HydrophobicContact CE1-CG2 4.4Å; Y253-I267 HydrophobicContact CE2-CB 4.46Å; Y253-I267 HydrophobicContact CE2-CG2 4.07Å; T263-I267 PolarHBondContact O-N 3.05Å; T263-I267 VanDerWaalsContact O-N 3.1Å; I264-I267 PolarHBondContact O-N 3.4Å; I267-S271 WeakPolarHBondContact O-CB 3.23Å; I267-S271 PolarHBondContact O-N 2.94Å; I267-S271 VanDerWaalsContact O-N 3.09Å; I267-S271 PolarHBondContact O-OG 2.88Å
268	Y	94.7	Very high	85.2	Confident	60 Å²	60	67 Å²	67	24%	0.235	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-50.4	174.4	174	-98.9	0	0	0	111.9	F110 H232 I264 R266 K270 S271 F272	F110-Y268 HydrophobicContact CD2-CD2 4.2Å; F110-Y268 AromaticContact CE2-CD2 3.56Å; F110-Y268 HydrophobicContact CE2-CD2 3.56Å; F110-Y268 HydrophobicContact CE2-CE2 4.26Å; F110-Y268 AromaticContact CZ-CD2 3.84Å; F110-Y268 HydrophobicContact CZ-CD2 3.84Å; H232-Y268 AromaticContact CE1-CE2 3.69Å; H232-Y268 AromaticContact ND1-CE2 3.41Å; H232-Y268 WeakPolarHBondContact ND1-CE2 3.29Å; H232-Y268 AromaticContact ND1-CZ 3.62Å; H232-Y268 PolarHBondContact ND1-OH 2.83Å; I264-Y268 WeakPolarHBondContact O-CB 3.27Å; I264-Y268 PolarHBondContact O-N 3.24Å; R266-Y268 VanDerWaalsContact C-N 3.33Å; Y268-K270 PolarHBondContact O-N 3.41Å; Y268-S271 WeakPolarHBondContact O-CB 3.33Å; Y268-S271 PolarHBondContact O-N 3.44Å; Y268-F272 HydrophobicContact CE1-CB 4.43Å; Y268-F272 HydrophobicContact CE1-CD2 4.36Å; Y268-F272 AromaticContact CZ-CD2 3.92Å; Y268-F272 WeakPolarHBondContact O-CB 3.1Å; Y268-F272 PolarHBondContact O-N 3.04Å; Y268-F272 WeakPolarHBondContact OH-CD2 3.48Å
269	L	94.1	Very high	86.7	Confident	104 Å²	104	59.9 Å²	59.9	55%	0.545	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-39.7	-177.5	-73.8	171.6	0	0	0	112.9	S265 R266 S271 F272 Y273	S265-L269 WeakPolarHBondContact O-CB 3.37Å; S265-L269 WeakPolarHBondContact O-CG 3.49Å; S265-L269 PolarHBondContact O-N 3.03Å; R266-L269 PolarHBondContact O-N 3.4Å; L269-S271 VanDerWaalsContact C-N 3.33Å; L269-F272 PolarHBondContact O-N 2.92Å; L269-Y273 VanDerWaalsContact O-CB 3.29Å; L269-Y273 WeakPolarHBondContact O-CB 3.35Å; L269-Y273 PolarHBondContact O-N 3.49Å
270	K	92.9	Very high	88.3	Confident	83 Å²	83	57.2 Å²	57.2	36%	0.361	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-42.5	173.3	-79.9	176.5	172.5	174	0	111.2	Y253 D262 R266 Y268 Y273 W274	Y253-K270 HydrophobicContact CD2-CB 4.37Å; Y253-K270 HydrophobicContact CE2-CB 3.96Å; Y253-K270 HydrophobicContact CE2-CD 3.63Å; Y253-K270 HydrophobicContact CE2-CG 4.46Å; D262-K270 IonicContact OD1-NZ 3.67Å; R266-K270 WeakPolarHBondContact O-CB 3.39Å; R266-K270 WeakPolarHBondContact O-CG 3.35Å; R266-K270 PolarHBondContact O-N 3.48Å; Y268-K270 PolarHBondContact O-N 3.41Å; K270-Y273 WeakPolarHBondContact O-CB 3.11Å; K270-Y273 PolarHBondContact O-N 2.83Å; K270-W274 PolarHBondContact O-N 3.14Å
271	S	95.2	Very high	89.3	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-39.8	176.8	-53.6	0	0	0	0	111.7	A235 I267 Y268 L269 W274 A275	A235-S271 VanDerWaalsContact CB-C 3.45Å; A235-S271 WeakPolarHBondContact CB-O 3.45Å; I267-S271 WeakPolarHBondContact O-CB 3.23Å; I267-S271 PolarHBondContact O-N 2.94Å; I267-S271 VanDerWaalsContact O-N 3.09Å; I267-S271 PolarHBondContact O-OG 2.88Å; Y268-S271 WeakPolarHBondContact O-CB 3.33Å; Y268-S271 PolarHBondContact O-N 3.44Å; L269-S271 VanDerWaalsContact C-N 3.33Å; S271-W274 PolarHBondContact O-N 3.48Å; S271-A275 PolarHBondContact O-N 2.8Å
272	F	95.5	Very high	90.6	Very high	36 Å²	36	52.4 Å²	52.4	16%	0.158	26%	0.26	C	S	.	.	H	α-helix	trans	-67	-36.9	176	-165.1	-86.8	0	0	0	112.2	F228 C231 H232 A235 Y268 L269 A275 T276	F228-F272 HydrophobicContact CD1-CZ 4.11Å; C231-F272 HydrophobicContact CB-CD2 4.21Å; C231-F272 HydrophobicContact CB-CE1 4.19Å; C231-F272 HydrophobicContact CB-CE2 3.58Å; C231-F272 HydrophobicContact CB-CZ 3.57Å; H232-F272 HydrophobicContact CB-CE2 4.26Å; A235-F272 HydrophobicContact CB-CB 4.34Å; Y268-F272 HydrophobicContact CE1-CB 4.43Å; Y268-F272 HydrophobicContact CE1-CD2 4.36Å; Y268-F272 AromaticContact CZ-CD2 3.92Å; Y268-F272 WeakPolarHBondContact O-CB 3.1Å; Y268-F272 PolarHBondContact O-N 3.04Å; Y268-F272 WeakPolarHBondContact OH-CD2 3.48Å; L269-F272 PolarHBondContact O-N 2.92Å; F272-A275 PolarHBondContact O-N 2.75Å; F272-T276 WeakPolarHBondContact CE1-OG1 3.44Å; F272-T276 WeakPolarHBondContact O-CB 3.21Å; F272-T276 PolarHBondContact O-N 3.49Å; F272-T276 PolarHBondContact O-OG1 3.36Å
273	Y	93.5	Very high	90.6	Very high	152 Å²	152	51.8 Å²	51.8	60%	0.596	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-48.1	173	175.7	-105	0	0	0	111.3	L269 K270 A275 T276 L277	L269-Y273 VanDerWaalsContact O-CB 3.29Å; L269-Y273 WeakPolarHBondContact O-CB 3.35Å; L269-Y273 PolarHBondContact O-N 3.49Å; K270-Y273 WeakPolarHBondContact O-CB 3.11Å; K270-Y273 PolarHBondContact O-N 2.83Å; Y273-A275 VanDerWaalsContact C-N 3.33Å; Y273-A275 PolarHBondContact O-N 3.32Å; Y273-T276 PolarHBondContact O-N 2.98Å; Y273-T276 VanDerWaalsContact O-N 3.16Å; Y273-L277 HydrophobicContact CD1-CD1 4.01Å; Y273-L277 HydrophobicContact CE1-CD1 3.37Å; Y273-L277 HydrophobicContact CE1-CG 4.2Å; Y273-L277 HydrophobicContact CE2-CD1 4.11Å; Y273-L277 HydrophobicContact CE2-CD2 4.37Å; Y273-L277 HydrophobicContact CE2-CG 4.13Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.43Å; Y273-L277 PolarHBondContact O-N 3.06Å
274	W	93.9	Very high	90	Very high	10 Å²	10	56.1 Å²	56.1	4%	0.038	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-47.6	174.1	-178	97.8	0	0	0	111.8	Y238 W251 K270 S271 T276 L277 T278 L285 F296	Y238-W274 HydrophobicContact CD1-CB 4.26Å; Y238-W274 HydrophobicContact CD1-CD2 4.32Å; Y238-W274 HydrophobicContact CD1-CE3 4.42Å; Y238-W274 HydrophobicContact CD1-CG 4.22Å; Y238-W274 AromaticContact CD2-CD2 3.41Å; Y238-W274 HydrophobicContact CD2-CD2 3.41Å; Y238-W274 VanDerWaalsContact CD2-CD2 3.41Å; Y238-W274 AromaticContact CD2-CE2 3.51Å; Y238-W274 AromaticContact CD2-CE3 3.71Å; Y238-W274 HydrophobicContact CD2-CE3 3.71Å; Y238-W274 AromaticContact CD2-CG 3.84Å; Y238-W274 HydrophobicContact CD2-CG 3.84Å; Y238-W274 HydrophobicContact CD2-CH2 4.29Å; Y238-W274 AromaticContact CD2-CZ2 3.99Å; Y238-W274 HydrophobicContact CD2-CZ2 3.99Å; Y238-W274 HydrophobicContact CD2-CZ3 4.14Å; Y238-W274 AromaticContact CD2-NE1 3.82Å; Y238-W274 HydrophobicContact CE1-CB 4.07Å; Y238-W274 HydrophobicContact CE1-CG 4.07Å; Y238-W274 AromaticContact CE2-CD1 3.49Å; Y238-W274 VanDerWaalsContact CE2-CD1 3.49Å; Y238-W274 AromaticContact CE2-CD2 3.72Å; Y238-W274 HydrophobicContact CE2-CD2 3.72Å; Y238-W274 AromaticContact CE2-CE2 3.66Å; Y238-W274 HydrophobicContact CE2-CE3 4.46Å; Y238-W274 AromaticContact CE2-CG 3.69Å; Y238-W274 HydrophobicContact CE2-CG 3.69Å; Y238-W274 HydrophobicContact CE2-CZ2 4.42Å; Y238-W274 AromaticContact CE2-NE1 3.43Å; Y238-W274 AromaticContact CG-CD2 3.73Å; Y238-W274 HydrophobicContact CG-CD2 3.73Å; Y238-W274 AromaticContact CG-CE3 3.67Å; Y238-W274 HydrophobicContact CG-CE3 3.67Å; Y238-W274 HydrophobicContact CG-CG 4.09Å; Y238-W274 HydrophobicContact CG-CZ3 4.26Å; Y238-W274 AromaticContact CZ-CD1 3.67Å; Y238-W274 AromaticContact CZ-CG 3.79Å; W251-W274 AromaticContact CE2-CZ2 3.79Å; W251-W274 HydrophobicContact CH2-CZ2 4.2Å; W251-W274 AromaticContact CZ2-CH2 3.9Å; W251-W274 HydrophobicContact CZ2-CH2 3.9Å; W251-W274 AromaticContact CZ2-CZ2 3.34Å; W251-W274 HydrophobicContact CZ2-CZ2 3.34Å; W251-W274 AromaticContact NE1-CZ2 3.94Å; K270-W274 PolarHBondContact O-N 3.14Å; S271-W274 PolarHBondContact O-N 3.48Å; W274-T276 VanDerWaalsContact C-N 3.33Å; W274-T276 PolarHBondContact O-N 2.92Å; W274-L277 PolarHBondContact O-N 3.47Å; W274-T278 HydrophobicContact CH2-CG2 4Å; W274-T278 HydrophobicContact CZ3-CG2 4.28Å; W274-T278 WeakPolarHBondContact O-CB 3.45Å; W274-T278 PolarHBondContact O-N 3.4Å; W274-T278 PolarHBondContact O-OG1 2.83Å; W274-L285 HydrophobicContact CD2-CD1 4.48Å; W274-L285 HydrophobicContact CG-CD1 4.35Å; W274-L285 HydrophobicContact CG-CD2 4.45Å; W274-F296 AromaticContact CH2-CD1 3.98Å; W274-F296 HydrophobicContact CH2-CD1 3.98Å; W274-F296 AromaticContact CH2-CE1 3.43Å; W274-F296 HydrophobicContact CH2-CE1 3.43Å; W274-F296 VanDerWaalsContact CH2-CE1 3.43Å; W274-F296 HydrophobicContact CH2-CZ 4.37Å; W274-F296 HydrophobicContact CZ2-CE1 4.39Å; W274-F296 AromaticContact CZ3-CE1 3.65Å; W274-F296 HydrophobicContact CZ3-CE1 3.65Å; W274-F296 HydrophobicContact CZ3-CZ 4.24Å
275	A	95	Very high	89.7	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-39.9	178.4	0	0	0	0	0	111.7	C231 F234 A235 S271 F272 Y273 T278 L279	C231-A275 HydrophobicContact CB-CB 4.38Å; C231-A275 VanDerWaalsContact O-CB 3.23Å; C231-A275 WeakPolarHBondContact O-CB 3.38Å; F234-A275 HydrophobicContact CB-CB 3.95Å; A235-A275 HydrophobicContact CB-CB 3.95Å; S271-A275 PolarHBondContact O-N 2.8Å; F272-A275 PolarHBondContact O-N 2.75Å; Y273-A275 VanDerWaalsContact C-N 3.33Å; Y273-A275 PolarHBondContact O-N 3.32Å; A275-T278 PolarHBondContact O-N 2.86Å; A275-L279 HydrophobicContact CB-CD1 4.49Å; A275-L279 WeakPolarHBondContact O-CB 3.48Å; A275-L279 WeakPolarHBondContact O-CD1 3.3Å; A275-L279 PolarHBondContact O-N 3.39Å
276	T	93.3	Very high	89.6	Confident	46 Å²	46	56 Å²	56	28%	0.282	28%	0.284	S	S	.	.	H	α-helix	trans	-64	-49.2	178.4	-58	0	0	0	0	111	F272 Y273 W274 T278 L279 T280	F272-T276 WeakPolarHBondContact CE1-OG1 3.44Å; F272-T276 WeakPolarHBondContact O-CB 3.21Å; F272-T276 PolarHBondContact O-N 3.49Å; F272-T276 PolarHBondContact O-OG1 3.36Å; Y273-T276 PolarHBondContact O-N 2.98Å; Y273-T276 VanDerWaalsContact O-N 3.16Å; W274-T276 VanDerWaalsContact C-N 3.33Å; W274-T276 PolarHBondContact O-N 2.92Å; T276-T278 VanDerWaalsContact C-N 3.26Å; T276-T278 PolarHBondContact O-N 3.46Å; T276-L279 PolarHBondContact O-N 3.31Å; T276-T280 HydrophobicContact CG2-CG2 4.21Å; T276-T280 VanDerWaalsContact O-CB 3.31Å; T276-T280 WeakPolarHBondContact O-CB 3.41Å; T276-T280 WeakPolarHBondContact O-CG2 3.29Å; T276-T280 PolarHBondContact O-N 3.23Å; T276-T280 PolarHBondContact O-OG1 3.48Å
277	L	92.7	Very high	89.4	Confident	20 Å²	20	53.2 Å²	53.2	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-40.2	176.7	-74.3	178.9	0	0	0	112.3	Y273 W274 T281 I282 G283 L285	Y273-L277 HydrophobicContact CD1-CD1 4.01Å; Y273-L277 HydrophobicContact CE1-CD1 3.37Å; Y273-L277 HydrophobicContact CE1-CG 4.2Å; Y273-L277 HydrophobicContact CE2-CD1 4.11Å; Y273-L277 HydrophobicContact CE2-CD2 4.37Å; Y273-L277 HydrophobicContact CE2-CG 4.13Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.43Å; Y273-L277 PolarHBondContact O-N 3.06Å; W274-L277 PolarHBondContact O-N 3.47Å; L277-T281 PolarHBondContact O-N 3.3Å; L277-I282 HydrophobicContact CD2-CB 4.03Å; L277-I282 HydrophobicContact CD2-CG2 3.95Å; L277-I282 PolarHBondContact O-N 2.95Å; L277-I282 VanDerWaalsContact O-N 3.15Å; L277-G283 PolarHBondContact O-N 3.44Å; L277-G283 VanDerWaalsContact O-N 3.1Å; L277-L285 HydrophobicContact CB-CD1 4.2Å; L277-L285 HydrophobicContact CB-CD2 4.48Å; L277-L285 HydrophobicContact CB-CG 4.42Å; L277-L285 HydrophobicContact CD1-CD2 3.73Å; L277-L285 HydrophobicContact CD1-CG 4.31Å
278	T	91.3	Very high	89.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-50	179.5	-59.1	0	0	0	0	111.7	W274 A275 T276 T281 L285 Y301	W274-T278 HydrophobicContact CH2-CG2 4Å; W274-T278 HydrophobicContact CZ3-CG2 4.28Å; W274-T278 WeakPolarHBondContact O-CB 3.45Å; W274-T278 PolarHBondContact O-N 3.4Å; W274-T278 PolarHBondContact O-OG1 2.83Å; A275-T278 PolarHBondContact O-N 2.86Å; T276-T278 VanDerWaalsContact C-N 3.26Å; T276-T278 PolarHBondContact O-N 3.46Å; T278-T281 PolarHBondContact O-N 3.44Å; T278-L285 WeakPolarHBondContact OG1-CD1 3.45Å; T278-Y301 HydrophobicContact CG2-CD1 3.55Å; T278-Y301 HydrophobicContact CG2-CE1 3.61Å
279	L	90.9	Very high	89.2	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-27.7	-175.7	-87.2	75.2	0	0	0	113	F234 A275 T276 T281 G304	F234-L279 HydrophobicContact CB-CD1 3.86Å; F234-L279 HydrophobicContact CD1-CD1 4.34Å; F234-L279 HydrophobicContact CD2-CD1 3.77Å; F234-L279 HydrophobicContact CD2-CD2 3.94Å; F234-L279 HydrophobicContact CD2-CG 4.35Å; F234-L279 HydrophobicContact CE2-CD1 4.42Å; F234-L279 HydrophobicContact CE2-CD2 4.38Å; F234-L279 HydrophobicContact CG-CD1 3.73Å; A275-L279 HydrophobicContact CB-CD1 4.49Å; A275-L279 WeakPolarHBondContact O-CB 3.48Å; A275-L279 WeakPolarHBondContact O-CD1 3.3Å; A275-L279 PolarHBondContact O-N 3.39Å; T276-L279 PolarHBondContact O-N 3.31Å; L279-T281 VanDerWaalsContact C-N 3.31Å; L279-G304 CarbonylContact O-C 3.55Å; L279-G304 WeakPolarHBondContact O-CA 3.41Å
280	T	89.5	Confident	89.1	Confident	24 Å²	24	52.1 Å²	52.1	15%	0.147	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.3	175.2	59.8	0	0	0	0	113.3	T276 I282	T276-T280 HydrophobicContact CG2-CG2 4.21Å; T276-T280 VanDerWaalsContact O-CB 3.31Å; T276-T280 WeakPolarHBondContact O-CB 3.41Å; T276-T280 WeakPolarHBondContact O-CG2 3.29Å; T276-T280 PolarHBondContact O-N 3.23Å; T276-T280 PolarHBondContact O-OG1 3.48Å; T280-I282 PolarHBondContact O-N 3.42Å; T280-I282 WeakPolarHBondContact OG1-CD1 3.49Å; T280-I282 WeakPolarHBondContact OG1-CG1 3.33Å
281	T	86.3	Confident	89.2	Confident	71 Å²	71	52.9 Å²	52.9	44%	0.436	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	19.5	180	66.7	0	0	0	0	114.9	L277 T278 L279 V305	L277-T281 PolarHBondContact O-N 3.3Å; T278-T281 PolarHBondContact O-N 3.44Å; L279-T281 VanDerWaalsContact C-N 3.31Å; T281-V305 HydrophobicContact CG2-CG2 3.59Å
282	I	87	Confident	89.1	Confident	125 Å²	125	56.5 Å²	56.5	64%	0.641	33%	0.33	S	S	*	.			trans	-73.9	-42.1	174.1	-60.5	173.1	0	0	0	109.4	L277 T280 D284	L277-I282 HydrophobicContact CD2-CB 4.03Å; L277-I282 HydrophobicContact CD2-CG2 3.95Å; L277-I282 PolarHBondContact O-N 2.95Å; L277-I282 VanDerWaalsContact O-N 3.15Å; T280-I282 PolarHBondContact O-N 3.42Å; T280-I282 WeakPolarHBondContact OG1-CD1 3.49Å; T280-I282 WeakPolarHBondContact OG1-CG1 3.33Å; I282-D284 PolarHBondContact O-N 2.86Å
283	G	71.1	Confident	89.1	Confident	26 Å²	26	54.8 Å²	54.8	27%	0.268	32%	0.322	S	S	.	.			trans	63.9	23.3	144	0	0	0	0	0	121.2	L277 L285	L277-G283 PolarHBondContact O-N 3.44Å; L277-G283 VanDerWaalsContact O-N 3.1Å; G283-L285 VanDerWaalsContact C-N 3.26Å; G283-L285 PolarHBondContact O-N 3.05Å
284	D	73.1	Confident	89.1	Confident	157 Å²	157	51.8 Å²	51.8	84%	0.84	32%	0.316	S	S	*	.			trans	-82.2	68.7	171.1	-166.6	19.6	0	0	0	111.7	I282	I282-D284 PolarHBondContact O-N 2.86Å
285	L	81	Confident	89.2	Confident	41 Å²	41	55 Å²	55	22%	0.215	34%	0.337	C	S	.	.			trans	-113.5	148.4	-175.6	-65.5	169.3	0	0	0	110.6	W274 L277 T278 G283	W274-L285 HydrophobicContact CD2-CD1 4.48Å; W274-L285 HydrophobicContact CG-CD1 4.35Å; W274-L285 HydrophobicContact CG-CD2 4.45Å; L277-L285 HydrophobicContact CB-CD1 4.2Å; L277-L285 HydrophobicContact CB-CD2 4.48Å; L277-L285 HydrophobicContact CB-CG 4.42Å; L277-L285 HydrophobicContact CD1-CD2 3.73Å; L277-L285 HydrophobicContact CD1-CG 4.31Å; T278-L285 WeakPolarHBondContact OG1-CD1 3.45Å; G283-L285 VanDerWaalsContact C-N 3.26Å; G283-L285 PolarHBondContact O-N 3.05Å
286	S	86.9	Confident	89.2	Confident	71 Å²	71	56.6 Å²	56.6	50%	0.497	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-55.4	142.4	174.6	-56.5	0	0	0	0	110.9
287	A	87.7	Confident	89.2	Confident	75 Å²	75	54.7 Å²	54.7	62%	0.62	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-67.2	138.6	-178.8	0	0	0	0	0	111.4
288	P	90.8	Very high	89.2	Confident	34 Å²	34	57.9 Å²	57.9	22%	0.221	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-63.1	138	174.8	26.5	-33.6	0	0	0	110.6	W251 E293 L294	W251-P288 VanDerWaalsContact CD1-CA 3.49Å; W251-P288 HydrophobicContact CG-CB 4.14Å; P288-E293 HydrophobicContact CB-CB 3.58Å; P288-L294 HydrophobicContact CB-CB 4.3Å; P288-L294 HydrophobicContact CG-CB 4.15Å; P288-L294 HydrophobicContact CG-CD1 3.77Å
289	T	91.3	Very high	89.3	Confident	88 Å²	88	61.3 Å²	61.3	54%	0.54	37%	0.37	S	S	.	.			trans	-102	-34.6	-177.8	58.4	0	0	0	0	111.8	N249 P250 E293	N249-T289 VanDerWaalsContact CG-OG1 3.26Å; N249-T289 PolarHBondContact OD1-OG1 3.2Å; P250-T289 HydrophobicContact CG-CG2 4.49Å; T289-E293 PolarHBondContact N-OE2 3.37Å; T289-E293 PolarHBondContact OG1-OE2 3.36Å
290	S	92.9	Very high	89.4	Confident	34 Å²	34	61.2 Å²	61.2	24%	0.238	37%	0.369	C	S	.	.	S	Bend	trans	-91.1	151.1	179.3	-180	0	0	0	0	112.1	E245 I292 E293 L294	E245-S290 PolarHBondContact OE1-OG 3.26Å; S290-I292 PolarHBondContact O-N 3.23Å; S290-I292 WeakPolarHBondContact OG-CG2 3.44Å; S290-E293 PolarHBondContact N-OE2 3.45Å; S290-E293 WeakPolarHBondContact O-CB 3.12Å; S290-E293 PolarHBondContact O-N 2.88Å; S290-L294 PolarHBondContact O-N 3.33Å
291	S	94.2	Very high	89.6	Confident	98 Å²	98	64.1 Å²	64.1	69%	0.685	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-32.4	178.3	-53.7	0	0	0	0	112.8	T295	S291-T295 WeakPolarHBondContact O-CB 3.11Å; S291-T295 PolarHBondContact O-N 3.1Å; S291-T295 PolarHBondContact O-OG1 3.13Å
292	I	94.1	Very high	89.9	Confident	76 Å²	76	65.5 Å²	65.5	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-73.2	-39	176.7	-172.8	62.2	0	0	0	111.6	L241 E245 S290 L294 T295 F296	L241-I292 HydrophobicContact CD1-CG1 3.73Å; L241-I292 HydrophobicContact CD1-CG2 4.02Å; L241-I292 HydrophobicContact CD2-CG1 4.45Å; E245-I292 WeakPolarHBondContact OE1-CG2 3.45Å; S290-I292 PolarHBondContact O-N 3.23Å; S290-I292 WeakPolarHBondContact OG-CG2 3.44Å; I292-L294 VanDerWaalsContact C-N 3.32Å; I292-T295 PolarHBondContact O-N 3.15Å; I292-F296 WeakPolarHBondContact O-CB 3.28Å; I292-F296 PolarHBondContact O-N 2.93Å
293	E	93.9	Very high	90.1	Very high	1 Å²	1	62 Å²	62	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-41.8	174.1	-63.6	174.8	165.2	0	0	110.6	L241 N249 W251 P288 T289 S290 F296 T297	L241-E293 HydrophobicContact CD2-CG 4.41Å; N249-E293 WeakPolarHBondContact CB-OE1 3.29Å; N249-E293 PolarHBondContact ND2-OE1 2.73Å; W251-E293 HydrophobicContact CD2-CB 4Å; W251-E293 HydrophobicContact CD2-CG 4.1Å; W251-E293 HydrophobicContact CE3-CB 3.9Å; W251-E293 HydrophobicContact CE3-CG 3.51Å; W251-E293 HydrophobicContact CH2-CB 4.43Å; W251-E293 HydrophobicContact CH2-CG 4.43Å; W251-E293 HydrophobicContact CZ2-CB 4.46Å; W251-E293 HydrophobicContact CZ3-CB 4.14Å; W251-E293 HydrophobicContact CZ3-CG 3.72Å; P288-E293 HydrophobicContact CB-CB 3.58Å; T289-E293 PolarHBondContact N-OE2 3.37Å; T289-E293 PolarHBondContact OG1-OE2 3.36Å; S290-E293 PolarHBondContact N-OE2 3.45Å; S290-E293 WeakPolarHBondContact O-CB 3.12Å; S290-E293 PolarHBondContact O-N 2.88Å; E293-F296 PolarHBondContact O-N 3.4Å; E293-T297 VanDerWaalsContact O-CB 3.26Å; E293-T297 WeakPolarHBondContact O-CB 3.06Å; E293-T297 PolarHBondContact O-N 3.16Å; E293-T297 PolarHBondContact O-OG1 3.02Å
294	L	94.5	Very high	91	Very high	88 Å²	88	60.8 Å²	60.8	46%	0.461	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-47.1	175.8	-179.3	64.3	0	0	0	111	P288 S290 I292 F296 T297 I298	P288-L294 HydrophobicContact CB-CB 4.3Å; P288-L294 HydrophobicContact CG-CB 4.15Å; P288-L294 HydrophobicContact CG-CD1 3.77Å; S290-L294 PolarHBondContact O-N 3.33Å; I292-L294 VanDerWaalsContact C-N 3.32Å; L294-F296 PolarHBondContact O-N 2.99Å; L294-T297 PolarHBondContact O-N 2.81Å; L294-I298 HydrophobicContact CD1-CD1 4.21Å; L294-I298 HydrophobicContact CD1-CG1 4.5Å; L294-I298 HydrophobicContact CG-CD1 4.02Å; L294-I298 VanDerWaalsContact O-CG1 3.29Å; L294-I298 WeakPolarHBondContact O-CG1 3.18Å; L294-I298 PolarHBondContact O-N 3.3Å
295	T	95.5	Very high	91.9	Very high	79 Å²	79	57 Å²	57	49%	0.485	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-47.1	177.8	-58.1	0	0	0	0	111.3	S291 I292 T297 I298 V299	S291-T295 WeakPolarHBondContact O-CB 3.11Å; S291-T295 PolarHBondContact O-N 3.1Å; S291-T295 PolarHBondContact O-OG1 3.13Å; I292-T295 PolarHBondContact O-N 3.15Å; T295-T297 VanDerWaalsContact C-N 3.35Å; T295-T297 PolarHBondContact O-N 3.29Å; T295-I298 PolarHBondContact O-N 3.03Å; T295-V299 WeakPolarHBondContact O-CG2 3.31Å; T295-V299 PolarHBondContact O-N 2.7Å
296	F	95.1	Very high	92.3	Very high	32 Å²	32	61.9 Å²	61.9	14%	0.14	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-41.4	177.5	178.2	-106.7	0	0	0	111.8	F234 F237 L241 W251 W274 I292 E293 L294 V299 S300	F234-F296 AromaticContact CD1-CE2 4Å; F234-F296 HydrophobicContact CD1-CE2 4Å; F234-F296 AromaticContact CD1-CZ 3.84Å; F234-F296 HydrophobicContact CD1-CZ 3.84Å; F234-F296 HydrophobicContact CE1-CE2 4.28Å; F237-F296 HydrophobicContact CB-CE2 3.69Å; F237-F296 HydrophobicContact CB-CZ 3.75Å; F237-F296 HydrophobicContact CG-CE2 4.47Å; L241-F296 HydrophobicContact CD2-CB 3.85Å; L241-F296 HydrophobicContact CD2-CD1 4.07Å; L241-F296 HydrophobicContact CD2-CG 4.01Å; W251-F296 AromaticContact CH2-CD1 3.57Å; W251-F296 HydrophobicContact CH2-CD1 3.57Å; W251-F296 HydrophobicContact CH2-CE1 4.01Å; W251-F296 AromaticContact CZ2-CD1 3.73Å; W251-F296 HydrophobicContact CZ2-CD1 3.73Å; W251-F296 HydrophobicContact CZ2-CE1 4.25Å; W274-F296 AromaticContact CH2-CD1 3.98Å; W274-F296 HydrophobicContact CH2-CD1 3.98Å; W274-F296 AromaticContact CH2-CE1 3.43Å; W274-F296 HydrophobicContact CH2-CE1 3.43Å; W274-F296 VanDerWaalsContact CH2-CE1 3.43Å; W274-F296 HydrophobicContact CH2-CZ 4.37Å; W274-F296 HydrophobicContact CZ2-CE1 4.39Å; W274-F296 AromaticContact CZ3-CE1 3.65Å; W274-F296 HydrophobicContact CZ3-CE1 3.65Å; W274-F296 HydrophobicContact CZ3-CZ 4.24Å; I292-F296 WeakPolarHBondContact O-CB 3.28Å; I292-F296 PolarHBondContact O-N 2.93Å; E293-F296 PolarHBondContact O-N 3.4Å; L294-F296 PolarHBondContact O-N 2.99Å; F296-V299 PolarHBondContact O-N 2.6Å; F296-S300 VanDerWaalsContact O-CB 3.28Å; F296-S300 WeakPolarHBondContact O-CB 3.35Å; F296-S300 PolarHBondContact O-N 3.34Å; F296-S300 PolarHBondContact O-OG 2.94Å
297	T	93.4	Very high	92.3	Very high	6 Å²	6	60.2 Å²	60.2	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-45.5	176.7	-59.5	0	0	0	0	111.2	W251 E293 L294 T295 V299 S300 Y301	W251-T297 WeakPolarHBondContact CZ2-OG1 3.34Å; W251-T297 PolarHBondContact NE1-OG1 2.86Å; W251-T297 VanDerWaalsContact NE1-OG1 3.08Å; E293-T297 VanDerWaalsContact O-CB 3.26Å; E293-T297 WeakPolarHBondContact O-CB 3.06Å; E293-T297 PolarHBondContact O-N 3.16Å; E293-T297 PolarHBondContact O-OG1 3.02Å; L294-T297 PolarHBondContact O-N 2.81Å; T295-T297 VanDerWaalsContact C-N 3.35Å; T295-T297 PolarHBondContact O-N 3.29Å; T297-V299 PolarHBondContact O-N 2.75Å; T297-S300 PolarHBondContact O-N 2.87Å; T297-Y301 HydrophobicContact CG2-CD2 3.83Å; T297-Y301 HydrophobicContact CG2-CE1 4.35Å; T297-Y301 HydrophobicContact CG2-CE2 3.4Å; T297-Y301 HydrophobicContact CG2-CG 4.46Å; T297-Y301 PolarHBondContact O-N 3.01Å
298	I	93.4	Very high	92.2	Very high	87 Å²	87	60.6 Å²	60.6	45%	0.446	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-49	176.4	-68.7	164.5	0	0	0	111.1	L294 T295 S300 Y301 L302	L294-I298 HydrophobicContact CD1-CD1 4.21Å; L294-I298 HydrophobicContact CD1-CG1 4.5Å; L294-I298 HydrophobicContact CG-CD1 4.02Å; L294-I298 VanDerWaalsContact O-CG1 3.29Å; L294-I298 WeakPolarHBondContact O-CG1 3.18Å; L294-I298 PolarHBondContact O-N 3.3Å; T295-I298 PolarHBondContact O-N 3.03Å; I298-S300 VanDerWaalsContact C-N 3.28Å; I298-S300 PolarHBondContact O-N 3.48Å; I298-Y301 PolarHBondContact O-N 3.06Å; I298-L302 HydrophobicContact CG2-CD1 3.98Å; I298-L302 HydrophobicContact CG2-CG 4.48Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 WeakPolarHBondContact O-CG 3.27Å; I298-L302 PolarHBondContact O-N 3.29Å
299	V	93.8	Very high	92.2	Very high	73 Å²	73	61.8 Å²	61.8	44%	0.442	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-39.8	178	172.1	0	0	0	0	111.2	T295 F296 T297 T303	T295-V299 WeakPolarHBondContact O-CG2 3.31Å; T295-V299 PolarHBondContact O-N 2.7Å; F296-V299 PolarHBondContact O-N 2.6Å; T297-V299 PolarHBondContact O-N 2.75Å; V299-T303 VanDerWaalsContact O-CB 3.3Å; V299-T303 WeakPolarHBondContact O-CB 3.33Å; V299-T303 PolarHBondContact O-N 3.14Å; V299-T303 PolarHBondContact O-OG1 2.71Å
300	S	92.8	Very high	92	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-44.6	178.8	-56	0	0	0	0	112	F234 F296 T297 I298 T303 G304	F234-S300 VanDerWaalsContact CD1-OG 3.25Å; F234-S300 WeakPolarHBondContact CD1-OG 3.36Å; F234-S300 WeakPolarHBondContact CE1-OG 3.5Å; F296-S300 VanDerWaalsContact O-CB 3.28Å; F296-S300 WeakPolarHBondContact O-CB 3.35Å; F296-S300 PolarHBondContact O-N 3.34Å; F296-S300 PolarHBondContact O-OG 2.94Å; T297-S300 PolarHBondContact O-N 2.87Å; I298-S300 VanDerWaalsContact C-N 3.28Å; I298-S300 PolarHBondContact O-N 3.48Å; S300-T303 PolarHBondContact O-N 3.01Å; S300-G304 PolarHBondContact O-N 3.16Å
301	Y	92.2	Very high	91.6	Very high	84 Å²	84	60.6 Å²	60.6	33%	0.329	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-45.1	176.4	-72.6	-23.6	0	0	0	112.4	T278 T297 I298 T303 G304 V305	T278-Y301 HydrophobicContact CG2-CD1 3.55Å; T278-Y301 HydrophobicContact CG2-CE1 3.61Å; T297-Y301 HydrophobicContact CG2-CD2 3.83Å; T297-Y301 HydrophobicContact CG2-CE1 4.35Å; T297-Y301 HydrophobicContact CG2-CE2 3.4Å; T297-Y301 HydrophobicContact CG2-CG 4.46Å; T297-Y301 PolarHBondContact O-N 3.01Å; I298-Y301 PolarHBondContact O-N 3.06Å; Y301-T303 VanDerWaalsContact C-N 3.35Å; Y301-T303 PolarHBondContact O-N 2.9Å; Y301-G304 PolarHBondContact O-N 3.38Å; Y301-V305 VanDerWaalsContact O-CG2 3.29Å; Y301-V305 WeakPolarHBondContact O-CG2 3.34Å; Y301-V305 PolarHBondContact O-N 3.09Å
302	L	92.6	Very high	91.3	Very high	101 Å²	101	59.9 Å²	59.9	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-47.6	176.3	-71.7	174.1	0	0	0	110.7	I298 G304 F306	I298-L302 HydrophobicContact CG2-CD1 3.98Å; I298-L302 HydrophobicContact CG2-CG 4.48Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 WeakPolarHBondContact O-CG 3.27Å; I298-L302 PolarHBondContact O-N 3.29Å; L302-G304 VanDerWaalsContact C-N 3.34Å; L302-G304 PolarHBondContact O-N 2.99Å; L302-F306 WeakPolarHBondContact O-CD2 3.37Å; L302-F306 PolarHBondContact O-N 3.4Å
303	T	91.5	Very high	91	Very high	51 Å²	51	58.1 Å²	58.1	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-43.5	177.2	-54.9	0	0	0	0	111.3	F234 V299 S300 Y301 F306 V307	F234-T303 HydrophobicContact CE2-CG2 3.84Å; F234-T303 HydrophobicContact CZ-CG2 3.86Å; V299-T303 VanDerWaalsContact O-CB 3.3Å; V299-T303 WeakPolarHBondContact O-CB 3.33Å; V299-T303 PolarHBondContact O-N 3.14Å; V299-T303 PolarHBondContact O-OG1 2.71Å; S300-T303 PolarHBondContact O-N 3.01Å; Y301-T303 VanDerWaalsContact C-N 3.35Å; Y301-T303 PolarHBondContact O-N 2.9Å; T303-F306 PolarHBondContact O-N 3.36Å; T303-V307 HydrophobicContact CG2-CG2 4.18Å; T303-V307 WeakPolarHBondContact O-CB 3.37Å; T303-V307 VanDerWaalsContact O-CG2 3.27Å; T303-V307 WeakPolarHBondContact O-CG2 3.44Å; T303-V307 PolarHBondContact O-N 3.15Å
304	G	91.3	Very high	90.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-52.9	178.1	0	0	0	0	0	113	L279 S300 Y301 L302 F306 V307 F308	L279-G304 CarbonylContact O-C 3.55Å; L279-G304 WeakPolarHBondContact O-CA 3.41Å; S300-G304 PolarHBondContact O-N 3.16Å; Y301-G304 PolarHBondContact O-N 3.38Å; L302-G304 VanDerWaalsContact C-N 3.34Å; L302-G304 PolarHBondContact O-N 2.99Å; G304-F306 VanDerWaalsContact C-N 3.31Å; G304-F306 PolarHBondContact O-N 2.94Å; G304-V307 PolarHBondContact O-N 3.18Å; G304-F308 VanDerWaalsContact O-CB 3.28Å; G304-F308 WeakPolarHBondContact O-CB 3.38Å; G304-F308 PolarHBondContact O-N 3.33Å
305	V	90.7	Very high	90.1	Very high	77 Å²	77	60.3 Å²	60.3	47%	0.467	34%	0.337	S	S	.	.	H	α-helix	trans	-54.9	-46.6	177.3	171.3	0	0	0	0	110.8	T281 Y301 A309	T281-V305 HydrophobicContact CG2-CG2 3.59Å; Y301-V305 VanDerWaalsContact O-CG2 3.29Å; Y301-V305 WeakPolarHBondContact O-CG2 3.34Å; Y301-V305 PolarHBondContact O-N 3.09Å; V305-A309 WeakPolarHBondContact O-CB 3.05Å; V305-A309 PolarHBondContact O-N 3.29Å
306	F	89.7	Confident	89.6	Confident	145 Å²	145	58 Å²	58	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-65.2	-49.1	178	-77	-63.9	0	0	0	112.2	L302 T303 G304 T310	L302-F306 WeakPolarHBondContact O-CD2 3.37Å; L302-F306 PolarHBondContact O-N 3.4Å; T303-F306 PolarHBondContact O-N 3.36Å; G304-F306 VanDerWaalsContact C-N 3.31Å; G304-F306 PolarHBondContact O-N 2.94Å; F306-T310 WeakPolarHBondContact O-CG2 3.46Å; F306-T310 PolarHBondContact O-N 3.47Å; F306-T310 PolarHBondContact O-OG1 3.06Å
307	V	87	Confident	89	Confident	36 Å²	36	60.9 Å²	60.9	22%	0.218	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-48.7	-178.5	172	0	0	0	0	110.5	L227 T303 G304 T310 I311	L227-V307 HydrophobicContact CD1-CG1 3.87Å; T303-V307 HydrophobicContact CG2-CG2 4.18Å; T303-V307 WeakPolarHBondContact O-CB 3.37Å; T303-V307 VanDerWaalsContact O-CG2 3.27Å; T303-V307 WeakPolarHBondContact O-CG2 3.44Å; T303-V307 PolarHBondContact O-N 3.15Å; G304-V307 PolarHBondContact O-N 3.18Å; V307-T310 PolarHBondContact O-N 3.44Å; V307-T310 PolarHBondContact O-OG1 2.94Å; V307-I311 HydrophobicContact CG1-CD1 3.97Å; V307-I311 WeakPolarHBondContact O-CG1 3.42Å; V307-I311 PolarHBondContact O-N 2.97Å; V307-I311 VanDerWaalsContact O-N 3.13Å
308	F	86.2	Confident	88.3	Confident	83 Å²	83	61.8 Å²	61.8	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-46.2	-180	-176.9	-108.1	0	0	0	112.3	G304 T310 I311 V312	G304-F308 VanDerWaalsContact O-CB 3.28Å; G304-F308 WeakPolarHBondContact O-CB 3.38Å; G304-F308 PolarHBondContact O-N 3.33Å; F308-T310 VanDerWaalsContact C-N 3.29Å; F308-T310 PolarHBondContact O-N 3.05Å; F308-I311 PolarHBondContact O-N 3.11Å; F308-I311 VanDerWaalsContact O-N 3.11Å; F308-V312 HydrophobicContact CD1-CG2 4.35Å; F308-V312 HydrophobicContact CE1-CG2 3.91Å; F308-V312 HydrophobicContact CE2-CG2 4.12Å; F308-V312 HydrophobicContact CZ-CG2 3.78Å; F308-V312 PolarHBondContact O-N 3.05Å
309	A	90.1	Very high	87.7	Confident	58 Å²	58	62.3 Å²	62.3	48%	0.479	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-39.2	176.6	0	0	0	0	0	112.2	V305 I311 G313	V305-A309 WeakPolarHBondContact O-CB 3.05Å; V305-A309 PolarHBondContact O-N 3.29Å; A309-I311 VanDerWaalsContact C-N 3.35Å; A309-I311 PolarHBondContact O-N 3.39Å; A309-G313 PolarHBondContact O-N 3.2Å
310	T	86.7	Confident	87.2	Confident	75 Å²	75	62.2 Å²	62.2	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-37.9	176.2	62.8	0	0	0	0	112.4	F306 V307 F308 Q314	F306-T310 WeakPolarHBondContact O-CG2 3.46Å; F306-T310 PolarHBondContact O-N 3.47Å; F306-T310 PolarHBondContact O-OG1 3.06Å; V307-T310 PolarHBondContact O-N 3.44Å; V307-T310 PolarHBondContact O-OG1 2.94Å; F308-T310 VanDerWaalsContact C-N 3.29Å; F308-T310 PolarHBondContact O-N 3.05Å; T310-Q314 WeakPolarHBondContact O-CB 3.46Å; T310-Q314 WeakPolarHBondContact O-CG 3.27Å; T310-Q314 PolarHBondContact O-N 3.35Å
311	I	86	Confident	86.6	Confident	22 Å²	22	65.9 Å²	65.9	11%	0.113	38%	0.376	C	S	.	.	H	α-helix	trans	-66.3	-49.4	178.8	-65.3	163.8	0	0	0	110.2	L223 L227 V307 F308 A309 G313 Q314 V315	L223-I311 HydrophobicContact CB-CG1 4.36Å; L227-I311 HydrophobicContact CB-CD1 3.64Å; L227-I311 HydrophobicContact CD1-CD1 3.98Å; L227-I311 HydrophobicContact CD2-CD1 3.77Å; L227-I311 HydrophobicContact CG-CD1 3.99Å; V307-I311 HydrophobicContact CG1-CD1 3.97Å; V307-I311 WeakPolarHBondContact O-CG1 3.42Å; V307-I311 PolarHBondContact O-N 2.97Å; V307-I311 VanDerWaalsContact O-N 3.13Å; F308-I311 PolarHBondContact O-N 3.11Å; F308-I311 VanDerWaalsContact O-N 3.11Å; A309-I311 VanDerWaalsContact C-N 3.35Å; A309-I311 PolarHBondContact O-N 3.39Å; I311-G313 VanDerWaalsContact C-N 3.34Å; I311-G313 PolarHBondContact O-N 3.34Å; I311-Q314 PolarHBondContact O-N 3.24Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 3.49Å
312	V	86.6	Confident	85.8	Confident	83 Å²	83	71.1 Å²	71.1	50%	0.503	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-46	178	176	0	0	0	0	110.8	F308 Q314 V315 G316	F308-V312 HydrophobicContact CD1-CG2 4.35Å; F308-V312 HydrophobicContact CE1-CG2 3.91Å; F308-V312 HydrophobicContact CE2-CG2 4.12Å; F308-V312 HydrophobicContact CZ-CG2 3.78Å; F308-V312 PolarHBondContact O-N 3.05Å; V312-Q314 VanDerWaalsContact C-N 3.33Å; V312-Q314 PolarHBondContact O-N 3.09Å; V312-V315 PolarHBondContact O-N 2.95Å; V312-G316 PolarHBondContact O-N 3.36Å
313	G	87.2	Confident	85.3	Confident	39 Å²	39	69.4 Å²	69.4	40%	0.402	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-37.2	177.4	0	0	0	0	0	113.5	A309 I311 N317	A309-G313 PolarHBondContact O-N 3.2Å; I311-G313 VanDerWaalsContact C-N 3.34Å; I311-G313 PolarHBondContact O-N 3.34Å; G313-N317 PolarHBondContact O-N 3.17Å
314	Q	84.2	Confident	85	Confident	75 Å²	75	68.9 Å²	68.9	35%	0.35	39%	0.387	S	S	.	.	H	α-helix	trans	-73	-39.4	178.3	-69.3	-72.7	-37.7	0	0	112.4	L223 T310 I311 V312 G316 N317 I318	L223-Q314 HydrophobicContact CD1-CB 3.36Å; L223-Q314 HydrophobicContact CD1-CG 3.52Å; T310-Q314 WeakPolarHBondContact O-CB 3.46Å; T310-Q314 WeakPolarHBondContact O-CG 3.27Å; T310-Q314 PolarHBondContact O-N 3.35Å; I311-Q314 PolarHBondContact O-N 3.24Å; V312-Q314 VanDerWaalsContact C-N 3.33Å; V312-Q314 PolarHBondContact O-N 3.09Å; Q314-G316 VanDerWaalsContact C-N 3.32Å; Q314-G316 PolarHBondContact O-N 3.31Å; Q314-N317 PolarHBondContact O-N 3.35Å; Q314-I318 WeakPolarHBondContact O-CD1 3.29Å; Q314-I318 VanDerWaalsContact O-CG1 3.27Å; Q314-I318 WeakPolarHBondContact O-CG1 3.4Å; Q314-I318 PolarHBondContact O-N 3.4Å
315	V	85.3	Confident	84.5	Confident	60 Å²	60	73.5 Å²	73.5	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-44.6	173	172.6	0	0	0	0	110.2	I311 V312 I318 I319	I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 3.49Å; V312-V315 PolarHBondContact O-N 2.95Å; V315-I318 PolarHBondContact O-N 3.18Å; V315-I318 VanDerWaalsContact O-N 3.15Å; V315-I319 HydrophobicContact CG1-CD1 4.2Å; V315-I319 WeakPolarHBondContact O-CG1 3.48Å; V315-I319 PolarHBondContact O-N 3.31Å; V315-I319 VanDerWaalsContact O-N 3.14Å
316	G	85.5	Confident	84.3	Confident	32 Å²	32	76.2 Å²	76.2	33%	0.33	41%	0.414	S	S	.	.	H	α-helix	trans	-59.9	-45.2	174.2	0	0	0	0	0	113.6	V312 Q314 I318 I319 T320	V312-G316 PolarHBondContact O-N 3.36Å; Q314-G316 VanDerWaalsContact C-N 3.32Å; Q314-G316 PolarHBondContact O-N 3.31Å; G316-I318 PolarHBondContact O-N 2.98Å; G316-I319 PolarHBondContact O-N 3.04Å; G316-T320 WeakPolarHBondContact O-CG2 3.21Å; G316-T320 PolarHBondContact O-N 2.95Å; G316-T320 VanDerWaalsContact O-N 3.14Å; G316-T320 PolarHBondContact O-OG1 2.97Å; G316-T320 VanDerWaalsContact O-OG1 3.07Å
317	N	82	Confident	84.2	Confident	92 Å²	92	73.3 Å²	73.3	49%	0.492	40%	0.404	S	S	.	.	H	α-helix	trans	-60.4	-29.9	175.1	-84.4	-8.9	0	0	0	113	G313 Q314 T320 T321	G313-N317 PolarHBondContact O-N 3.17Å; Q314-N317 PolarHBondContact O-N 3.35Å; N317-T320 VanDerWaalsContact C-OG1 3.32Å; N317-T320 WeakPolarHBondContact CA-OG1 3.43Å; N317-T320 PolarHBondContact O-OG1 3.17Å; N317-T321 WeakPolarHBondContact O-CB 3.45Å; N317-T321 WeakPolarHBondContact O-CG2 3.37Å; N317-T321 PolarHBondContact O-N 3.33Å; N317-T321 PolarHBondContact O-OG1 3.02Å
318	I	80.5	Confident	84.1	Confident	25 Å²	25	77.4 Å²	77.4	13%	0.128	42%	0.421	C	S	.	.	H	α-helix	trans	-78	-39.9	-179.2	-72.6	168.9	0	0	0	111.7	N216 V220 Q314 V315 G316 T320 T321 R322	N216-I318 HydrophobicContact CB-CB 4.43Å; N216-I318 HydrophobicContact CB-CD1 4.17Å; N216-I318 HydrophobicContact CB-CG1 3.94Å; N216-I318 HydrophobicContact CB-CG2 3.78Å; N216-I318 WeakPolarHBondContact O-CD1 3.01Å; V220-I318 HydrophobicContact CG2-CD1 3.17Å; Q314-I318 WeakPolarHBondContact O-CD1 3.29Å; Q314-I318 VanDerWaalsContact O-CG1 3.27Å; Q314-I318 WeakPolarHBondContact O-CG1 3.4Å; Q314-I318 PolarHBondContact O-N 3.4Å; V315-I318 PolarHBondContact O-N 3.18Å; V315-I318 VanDerWaalsContact O-N 3.15Å; G316-I318 PolarHBondContact O-N 2.98Å; I318-T320 VanDerWaalsContact C-N 3.31Å; I318-T320 PolarHBondContact O-N 3.24Å; I318-T321 WeakPolarHBondContact CA-OG1 3.34Å; I318-T321 PolarHBondContact O-OG1 2.95Å; I318-R322 WeakPolarHBondContact O-CB 3.37Å; I318-R322 PolarHBondContact O-N 3Å
319	I	79.8	Confident	84.2	Confident	97 Å²	97	74.1 Å²	74.1	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-46	175.4	-66.3	167.2	0	0	0	109.7	V315 G316 N323	V315-I319 HydrophobicContact CG1-CD1 4.2Å; V315-I319 WeakPolarHBondContact O-CG1 3.48Å; V315-I319 PolarHBondContact O-N 3.31Å; V315-I319 VanDerWaalsContact O-N 3.14Å; G316-I319 PolarHBondContact O-N 3.04Å; I319-N323 WeakPolarHBondContact O-CB 3.33Å; I319-N323 PolarHBondContact O-N 3.37Å; I319-N323 VanDerWaalsContact O-N 3.11Å; I319-N323 PolarHBondContact O-ND2 2.77Å
320	T	83.2	Confident	84.2	Confident	71 Å²	71	74.8 Å²	74.8	44%	0.436	40%	0.4	S	S	.	.	H	α-helix	trans	-66.4	-45.8	179.4	51.8	0	0	0	0	112.6	G316 N317 I318 N323 A324	G316-T320 WeakPolarHBondContact O-CG2 3.21Å; G316-T320 PolarHBondContact O-N 2.95Å; G316-T320 VanDerWaalsContact O-N 3.14Å; G316-T320 PolarHBondContact O-OG1 2.97Å; G316-T320 VanDerWaalsContact O-OG1 3.07Å; N317-T320 VanDerWaalsContact C-OG1 3.32Å; N317-T320 WeakPolarHBondContact CA-OG1 3.43Å; N317-T320 PolarHBondContact O-OG1 3.17Å; I318-T320 VanDerWaalsContact C-N 3.31Å; I318-T320 PolarHBondContact O-N 3.24Å; T320-N323 CarbonylContact O-C 3.35Å; T320-N323 PolarHBondContact O-N 3.17Å; T320-A324 PolarHBondContact O-N 3.25Å
321	T	80.1	Confident	84.5	Confident	78 Å²	78	77.4 Å²	77.4	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-68.6	-36.1	179	51.8	0	0	0	0	113.2	N216 N317 I318 N323 A324	N216-T321 PolarHBondContact ND2-OG1 3.15Å; N317-T321 WeakPolarHBondContact O-CB 3.45Å; N317-T321 WeakPolarHBondContact O-CG2 3.37Å; N317-T321 PolarHBondContact O-N 3.33Å; N317-T321 PolarHBondContact O-OG1 3.02Å; I318-T321 WeakPolarHBondContact CA-OG1 3.34Å; I318-T321 PolarHBondContact O-OG1 2.95Å; T321-N323 VanDerWaalsContact C-N 3.32Å; T321-A324 VanDerWaalsContact O-CB 3.3Å; T321-A324 WeakPolarHBondContact O-CB 3.48Å; T321-A324 PolarHBondContact O-N 3.34Å
322	R	75.3	Confident	84.8	Confident	194 Å²	194	80.1 Å²	80.1	73%	0.732	42%	0.418	S	S	*	.	H	α-helix	trans	-66.6	-36.6	176	-179.2	177.5	177.3	147.2	0.1	111.8	I318 A324	I318-R322 WeakPolarHBondContact O-CB 3.37Å; I318-R322 PolarHBondContact O-N 3Å; R322-A324 VanDerWaalsContact C-N 3.32Å
323	N	82.7	Confident	85	Confident	64 Å²	64	76.9 Å²	76.9	34%	0.342	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8	179.8	-66.5	-17.8	0	0	0	112.7	I319 T320 T321 D325 R326 I327	I319-N323 WeakPolarHBondContact O-CB 3.33Å; I319-N323 PolarHBondContact O-N 3.37Å; I319-N323 VanDerWaalsContact O-N 3.11Å; I319-N323 PolarHBondContact O-ND2 2.77Å; T320-N323 CarbonylContact O-C 3.35Å; T320-N323 PolarHBondContact O-N 3.17Å; T321-N323 VanDerWaalsContact C-N 3.32Å; N323-D325 PolarHBondContact O-N 3.07Å; N323-R326 WeakPolarHBondContact O-CB 3.18Å; N323-R326 PolarHBondContact O-N 3.14Å; N323-R326 VanDerWaalsContact O-N 3.14Å; N323-I327 HydrophobicContact CB-CD1 3.82Å; N323-I327 HydrophobicContact CB-CG1 4.17Å; N323-I327 WeakPolarHBondContact O-CB 3.34Å; N323-I327 VanDerWaalsContact O-CG1 3.28Å; N323-I327 WeakPolarHBondContact O-CG1 3.48Å; N323-I327 PolarHBondContact O-N 2.92Å
324	A	84.5	Confident	85.4	Confident	41 Å²	41	78.7 Å²	78.7	34%	0.339	40%	0.399	S	S	.	.	H	α-helix	trans	-55.2	-52.1	-170.8	0	0	0	0	0	112.8	T320 T321 R322 R326 I327 E328	T320-A324 PolarHBondContact O-N 3.25Å; T321-A324 VanDerWaalsContact O-CB 3.3Å; T321-A324 WeakPolarHBondContact O-CB 3.48Å; T321-A324 PolarHBondContact O-N 3.34Å; R322-A324 VanDerWaalsContact C-N 3.32Å; A324-R326 VanDerWaalsContact C-N 3.27Å; A324-R326 PolarHBondContact O-N 3.14Å; A324-I327 PolarHBondContact O-N 3Å; A324-E328 WeakPolarHBondContact O-CB 3.27Å; A324-E328 PolarHBondContact O-N 2.91Å
325	D	82.3	Confident	85.9	Confident	97 Å²	97	80.7 Å²	80.7	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-63	-35.9	-178.8	-54.9	-21.7	0	0	0	111.9	N323 F329	N323-D325 PolarHBondContact O-N 3.07Å; D325-F329 WeakPolarHBondContact O-CB 2.79Å; D325-F329 PolarHBondContact O-N 2.81Å
326	R	85.1	Confident	86.4	Confident	133 Å²	133	78.8 Å²	78.8	50%	0.502	40%	0.398	S	S	.	.	H	α-helix	trans	-68.6	-46.2	176.4	179.4	176.3	173.1	178.4	-2.1	111.3	N323 A324 E328 F329 E330 W361	N323-R326 WeakPolarHBondContact O-CB 3.18Å; N323-R326 PolarHBondContact O-N 3.14Å; N323-R326 VanDerWaalsContact O-N 3.14Å; A324-R326 VanDerWaalsContact C-N 3.27Å; A324-R326 PolarHBondContact O-N 3.14Å; R326-E328 VanDerWaalsContact C-N 3.29Å; R326-E328 PolarHBondContact O-N 3.02Å; R326-F329 PolarHBondContact O-N 3.41Å; R326-E330 HydrophobicContact CG-CG 4.33Å; R326-E330 IonicContact CZ-OE1 3.9Å; R326-E330 IonicContact NE-OE1 2.83Å; R326-E330 PolarHBondContact NE-OE1 3.14Å; R326-E330 IonicContact NH2-OE1 3.16Å; R326-E330 PolarHBondContact NH2-OE1 3.22Å; R326-E330 VanDerWaalsContact NH2-OE1 3.09Å; R326-E330 WeakPolarHBondContact O-CB 3.23Å; R326-E330 WeakPolarHBondContact O-CG 3.41Å; R326-E330 PolarHBondContact O-N 2.73Å; R326-W361 VanDerWaalsContact CA-CH2 3.48Å; R326-W361 HydrophobicContact CB-CH2 3.7Å; R326-W361 HydrophobicContact CB-CZ2 3.96Å; R326-W361 HydrophobicContact CG-CH2 4.14Å; R326-W361 HydrophobicContact CG-CZ2 3.97Å
327	I	87	Confident	86.8	Confident	85 Å²	85	80.5 Å²	80.5	44%	0.436	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-40.3	178.3	-69.5	165.8	0	0	0	110	N323 A324 K331	N323-I327 HydrophobicContact CB-CD1 3.82Å; N323-I327 HydrophobicContact CB-CG1 4.17Å; N323-I327 WeakPolarHBondContact O-CB 3.34Å; N323-I327 VanDerWaalsContact O-CG1 3.28Å; N323-I327 WeakPolarHBondContact O-CG1 3.48Å; N323-I327 PolarHBondContact O-N 2.92Å; A324-I327 PolarHBondContact O-N 3Å; I327-K331 WeakPolarHBondContact O-CB 3.07Å; I327-K331 PolarHBondContact O-N 3.43Å
328	E	86.5	Confident	87.5	Confident	122 Å²	122	78.7 Å²	78.7	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-63.3	-45.6	175.8	-176.9	167.3	-162.4	0	0	111.7	A324 R326 K331 I332	A324-E328 WeakPolarHBondContact O-CB 3.27Å; A324-E328 PolarHBondContact O-N 2.91Å; R326-E328 VanDerWaalsContact C-N 3.29Å; R326-E328 PolarHBondContact O-N 3.02Å; E328-K331 WeakPolarHBondContact O-CB 3.44Å; E328-K331 PolarHBondContact O-N 3.02Å; E328-I332 HydrophobicContact CG-CD1 4.42Å; E328-I332 WeakPolarHBondContact O-CG1 3.44Å; E328-I332 PolarHBondContact O-N 2.98Å; E328-I332 VanDerWaalsContact O-N 3.11Å
329	F	88.3	Confident	88.3	Confident	14 Å²	14	84.9 Å²	84.9	6%	0.061	41%	0.414	C	S	.	.	H	α-helix	trans	-63.4	-46.9	175.9	-178.3	-94.4	0	0	0	112.6	D325 R326 K331 I332 L333 Y357 W361	D325-F329 WeakPolarHBondContact O-CB 2.79Å; D325-F329 PolarHBondContact O-N 2.81Å; R326-F329 PolarHBondContact O-N 3.41Å; F329-K331 VanDerWaalsContact C-N 3.26Å; F329-K331 PolarHBondContact O-N 2.81Å; F329-I332 PolarHBondContact O-N 3.29Å; F329-I332 VanDerWaalsContact O-N 3.13Å; F329-L333 HydrophobicContact CE1-CD2 4.42Å; F329-L333 PolarHBondContact O-N 3.19Å; F329-Y357 AromaticContact CE2-CD1 3.86Å; F329-Y357 HydrophobicContact CE2-CD1 3.86Å; F329-Y357 AromaticContact CZ-CD1 3.68Å; F329-Y357 HydrophobicContact CZ-CD1 3.68Å; F329-Y357 HydrophobicContact CZ-CG 4.34Å; F329-Y357 WeakPolarHBondContact CZ-O 3.47Å; F329-W361 HydrophobicContact CB-CE3 3.8Å; F329-W361 HydrophobicContact CB-CZ3 3.67Å; F329-W361 HydrophobicContact CD1-CB 4.34Å; F329-W361 AromaticContact CD1-CD2 3.95Å; F329-W361 HydrophobicContact CD1-CD2 3.95Å; F329-W361 AromaticContact CD1-CE3 3.63Å; F329-W361 HydrophobicContact CD1-CE3 3.63Å; F329-W361 HydrophobicContact CD1-CG 4.25Å; F329-W361 HydrophobicContact CD1-CZ3 4.29Å; F329-W361 AromaticContact CD2-CE3 3.88Å; F329-W361 HydrophobicContact CD2-CE3 3.88Å; F329-W361 HydrophobicContact CD2-CZ3 4.49Å; F329-W361 HydrophobicContact CE1-CB 3.71Å; F329-W361 HydrophobicContact CE1-CD2 4.22Å; F329-W361 HydrophobicContact CE1-CE3 4.18Å; F329-W361 HydrophobicContact CE1-CG 4.03Å; F329-W361 HydrophobicContact CE2-CB 4.27Å; F329-W361 HydrophobicContact CE2-CE3 4.38Å; F329-W361 HydrophobicContact CG-CD2 4.25Å; F329-W361 AromaticContact CG-CE3 3.46Å; F329-W361 HydrophobicContact CG-CE3 3.46Å; F329-W361 VanDerWaalsContact CG-CE3 3.46Å; F329-W361 AromaticContact CG-CZ3 3.9Å; F329-W361 HydrophobicContact CG-CZ3 3.9Å; F329-W361 HydrophobicContact CZ-CB 3.67Å; F329-W361 HydrophobicContact CZ-CG 4.43Å
330	E	89.9	Confident	89.1	Confident	72 Å²	72	80.6 Å²	80.6	34%	0.336	39%	0.392	S	S	.	.	H	α-helix	trans	-58.5	-40.2	177.3	-76.8	174.9	175	0	0	110.9	R326 L333 D334	R326-E330 HydrophobicContact CG-CG 4.33Å; R326-E330 IonicContact CZ-OE1 3.9Å; R326-E330 IonicContact NE-OE1 2.83Å; R326-E330 PolarHBondContact NE-OE1 3.14Å; R326-E330 IonicContact NH2-OE1 3.16Å; R326-E330 PolarHBondContact NH2-OE1 3.22Å; R326-E330 VanDerWaalsContact NH2-OE1 3.09Å; R326-E330 WeakPolarHBondContact O-CB 3.23Å; R326-E330 WeakPolarHBondContact O-CG 3.41Å; R326-E330 PolarHBondContact O-N 2.73Å; E330-L333 PolarHBondContact O-N 3.19Å; E330-D334 WeakPolarHBondContact O-CB 3.29Å; E330-D334 VanDerWaalsContact O-CG 3.28Å; E330-D334 PolarHBondContact O-N 2.94Å
331	K	92.6	Very high	89.6	Confident	130 Å²	130	85.3 Å²	85.3	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-44.5	174.6	-174.7	-179.5	-179.9	-178	0	112.5	I327 E328 F329 D334 H335	I327-K331 WeakPolarHBondContact O-CB 3.07Å; I327-K331 PolarHBondContact O-N 3.43Å; E328-K331 WeakPolarHBondContact O-CB 3.44Å; E328-K331 PolarHBondContact O-N 3.02Å; F329-K331 VanDerWaalsContact C-N 3.26Å; F329-K331 PolarHBondContact O-N 2.81Å; K331-D334 PolarHBondContact O-N 3.29Å; K331-H335 WeakPolarHBondContact O-CB 3.24Å; K331-H335 PolarHBondContact O-CD2 3.5Å; K331-H335 VanDerWaalsContact O-CG 3.28Å; K331-H335 PolarHBondContact O-N 3.38Å
332	I	91.6	Very high	90.4	Very high	78 Å²	78	85.5 Å²	85.5	40%	0.4	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-45.1	176.7	-66.3	163.7	0	0	0	110.3	E328 F329 D334 H335 A336 Y357	E328-I332 HydrophobicContact CG-CD1 4.42Å; E328-I332 WeakPolarHBondContact O-CG1 3.44Å; E328-I332 PolarHBondContact O-N 2.98Å; E328-I332 VanDerWaalsContact O-N 3.11Å; F329-I332 PolarHBondContact O-N 3.29Å; F329-I332 VanDerWaalsContact O-N 3.13Å; I332-D334 PolarHBondContact O-N 3.41Å; I332-H335 WeakPolarHBondContact O-CB 3.42Å; I332-H335 PolarHBondContact O-N 3.06Å; I332-A336 PolarHBondContact O-N 3.5Å; I332-Y357 HydrophobicContact CG2-CE1 4.08Å
333	L	92.3	Very high	91.4	Very high	16 Å²	16	80.5 Å²	80.5	8%	0.084	40%	0.399	C	S	.	.	H	α-helix	trans	-61.9	-42.5	177.9	175.7	59.2	0	0	0	111.9	F329 E330 H335 A336 K337 L354 Y357	F329-L333 HydrophobicContact CE1-CD2 4.42Å; F329-L333 PolarHBondContact O-N 3.19Å; E330-L333 PolarHBondContact O-N 3.19Å; L333-H335 VanDerWaalsContact C-N 3.35Å; L333-A336 WeakPolarHBondContact O-CB 3.44Å; L333-A336 PolarHBondContact O-N 3.11Å; L333-K337 HydrophobicContact CD1-CG 4.41Å; L333-K337 HydrophobicContact CG-CD 4.33Å; L333-K337 WeakPolarHBondContact O-CG 3.26Å; L333-K337 PolarHBondContact O-N 3.06Å; L333-L354 HydrophobicContact CD1-CD2 3.73Å; L333-Y357 HydrophobicContact CD1-CD1 4.31Å; L333-Y357 HydrophobicContact CD1-CD2 3.73Å; L333-Y357 HydrophobicContact CD1-CE2 4.36Å; L333-Y357 HydrophobicContact CD1-CG 3.72Å
334	D	94.6	Very high	91.9	Very high	76 Å²	76	82.5 Å²	82.5	41%	0.406	42%	0.418	S	S	.	.	H	α-helix	trans	-70.4	-32.4	179.7	-74.3	-14.4	0	0	0	112.6	E330 K331 I332 K337 S338	E330-D334 WeakPolarHBondContact O-CB 3.29Å; E330-D334 VanDerWaalsContact O-CG 3.28Å; E330-D334 PolarHBondContact O-N 2.94Å; K331-D334 PolarHBondContact O-N 3.29Å; I332-D334 PolarHBondContact O-N 3.41Å; D334-K337 IonicContact OD1-NZ 3.87Å; D334-K337 PolarHBondContact OD1-NZ 3.23Å; D334-K337 VanDerWaalsContact OD1-NZ 3.13Å; D334-S338 VanDerWaalsContact O-CB 3.3Å; D334-S338 WeakPolarHBondContact O-CB 3.45Å; D334-S338 PolarHBondContact O-N 3.44Å; D334-S338 PolarHBondContact O-OG 3.17Å
335	H	95.2	Very high	92.4	Very high	118 Å²	118	82.1 Å²	82.1	55%	0.546	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-46.6	168	-74.1	-165.2	0	0	0	110.9	K331 I332 L333 S338 Y339	K331-H335 WeakPolarHBondContact O-CB 3.24Å; K331-H335 PolarHBondContact O-CD2 3.5Å; K331-H335 VanDerWaalsContact O-CG 3.28Å; K331-H335 PolarHBondContact O-N 3.38Å; I332-H335 WeakPolarHBondContact O-CB 3.42Å; I332-H335 PolarHBondContact O-N 3.06Å; L333-H335 VanDerWaalsContact C-N 3.35Å; H335-S338 PolarHBondContact O-N 3.04Å; H335-Y339 WeakPolarHBondContact O-CB 3.4Å; H335-Y339 PolarHBondContact O-N 3.24Å
336	A	95	Very high	93	Very high	19 Å²	19	82.5 Å²	82.5	16%	0.157	41%	0.413	C	S	.	.	H	α-helix	trans	-61.6	-45.3	177.3	0	0	0	0	0	111.9	I332 L333 S338 Y339 M340 Y357	I332-A336 PolarHBondContact O-N 3.5Å; L333-A336 WeakPolarHBondContact O-CB 3.44Å; L333-A336 PolarHBondContact O-N 3.11Å; A336-S338 VanDerWaalsContact C-N 3.33Å; A336-S338 PolarHBondContact O-N 2.93Å; A336-Y339 PolarHBondContact O-N 3.41Å; A336-M340 WeakPolarHBondContact O-CG 3.32Å; A336-M340 PolarHBondContact O-N 3.37Å; A336-Y357 HydrophobicContact CB-CE2 3.88Å
337	K	95.4	Very high	93.4	Very high	68 Å²	68	84.2 Å²	84.2	30%	0.296	42%	0.424	S	S	.	.	H	α-helix	trans	-58.3	-44.4	173.9	-73.5	170	-173.2	159.2	0	111.9	L333 D334 M340 R341 L354	L333-K337 HydrophobicContact CD1-CG 4.41Å; L333-K337 HydrophobicContact CG-CD 4.33Å; L333-K337 WeakPolarHBondContact O-CG 3.26Å; L333-K337 PolarHBondContact O-N 3.06Å; D334-K337 IonicContact OD1-NZ 3.87Å; D334-K337 PolarHBondContact OD1-NZ 3.23Å; D334-K337 VanDerWaalsContact OD1-NZ 3.13Å; K337-M340 HydrophobicContact CG-CE 4.45Å; K337-M340 PolarHBondContact O-N 3.32Å; K337-R341 WeakPolarHBondContact O-CB 3.3Å; K337-R341 VanDerWaalsContact O-CG 3.32Å; K337-R341 WeakPolarHBondContact O-CG 3.4Å; K337-R341 PolarHBondContact O-N 3.49Å; K337-R341 PolarHBondContact O-NE 3.46Å; K337-L354 HydrophobicContact CD-CD2 4.47Å; K337-L354 HydrophobicContact CG-CD2 3.88Å
338	S	95.8	Very high	93.7	Very high	54 Å²	54	84.9 Å²	84.9	38%	0.378	43%	0.429	S	S	.	.	H	α-helix	trans	-67.3	-39.4	179.6	-59.8	0	0	0	0	111.8	D334 H335 A336 R341 A342	D334-S338 VanDerWaalsContact O-CB 3.3Å; D334-S338 WeakPolarHBondContact O-CB 3.45Å; D334-S338 PolarHBondContact O-N 3.44Å; D334-S338 PolarHBondContact O-OG 3.17Å; H335-S338 PolarHBondContact O-N 3.04Å; A336-S338 VanDerWaalsContact C-N 3.33Å; A336-S338 PolarHBondContact O-N 2.93Å; S338-R341 PolarHBondContact O-N 2.93Å; S338-R341 PolarHBondContact OG-NH2 3.3Å; S338-R341 VanDerWaalsContact OG-NH2 3.11Å; S338-A342 WeakPolarHBondContact O-CB 3.46Å; S338-A342 PolarHBondContact O-N 2.94Å
339	Y	96.8	Very high	94	Very high	155 Å²	155	82.7 Å²	82.7	61%	0.608	42%	0.421	S	S	*	.	H	α-helix	trans	-61.9	-46	172.8	-178.8	-89.9	0	0	0	112.3	H335 A336 R341 A342 N343	H335-Y339 WeakPolarHBondContact O-CB 3.4Å; H335-Y339 PolarHBondContact O-N 3.24Å; A336-Y339 PolarHBondContact O-N 3.41Å; Y339-R341 VanDerWaalsContact C-N 3.33Å; Y339-R341 PolarHBondContact O-N 3.13Å; Y339-A342 PolarHBondContact O-N 3.45Å; Y339-N343 WeakPolarHBondContact CE2-ND2 3.16Å; Y339-N343 PolarHBondContact O-N 2.92Å; Y339-N343 PolarHBondContact O-ND2 3.08Å
340	M	96.8	Very high	94.3	Very high	8 Å²	8	84.2 Å²	84.2	4%	0.039	43%	0.428	C	S	.	.	H	α-helix	trans	-62.8	-39.8	178.4	-71.7	-172.3	-60	0	0	112.2	A336 K337 S344 V345 Q350 I353 L354	A336-M340 WeakPolarHBondContact O-CG 3.32Å; A336-M340 PolarHBondContact O-N 3.37Å; K337-M340 HydrophobicContact CG-CE 4.45Å; K337-M340 PolarHBondContact O-N 3.32Å; M340-S344 PolarHBondContact O-N 3.36Å; M340-V345 HydrophobicContact CB-CB 4.18Å; M340-V345 HydrophobicContact CB-CG2 4.17Å; M340-V345 HydrophobicContact CG-CB 4.35Å; M340-V345 HydrophobicContact CG-CG2 4.19Å; M340-V345 PolarHBondContact O-N 2.89Å; M340-V345 VanDerWaalsContact O-N 3.1Å; M340-Q350 HydrophobicContact CB-CG 4.1Å; M340-Q350 HydrophobicContact CE-CB 4.45Å; M340-Q350 HydrophobicContact CE-CG 4.45Å; M340-Q350 HydrophobicContact CG-CG 4.41Å; M340-Q350 HydrophobicContact SD-CB 4.07Å; M340-Q350 HydrophobicContact SD-CG 3.8Å; M340-I353 HydrophobicContact CE-CG2 4.33Å; M340-I353 HydrophobicContact SD-CB 4.06Å; M340-I353 HydrophobicContact SD-CD1 3.64Å; M340-I353 HydrophobicContact SD-CG1 4.46Å; M340-I353 HydrophobicContact SD-CG2 4.02Å; M340-L354 HydrophobicContact CE-CD2 4.13Å; M340-L354 HydrophobicContact CE-CG 4.31Å
341	R	93.9	Very high	94.4	Very high	170 Å²	170	83.8 Å²	83.8	64%	0.642	43%	0.433	S	S	*	.	H	α-helix	trans	-66	-44.5	174.8	-74	-176	-66.1	-175.7	1.9	112.2	K337 S338 Y339 N343 S344	K337-R341 WeakPolarHBondContact O-CB 3.3Å; K337-R341 VanDerWaalsContact O-CG 3.32Å; K337-R341 WeakPolarHBondContact O-CG 3.4Å; K337-R341 PolarHBondContact O-N 3.49Å; K337-R341 PolarHBondContact O-NE 3.46Å; S338-R341 PolarHBondContact O-N 2.93Å; S338-R341 PolarHBondContact OG-NH2 3.3Å; S338-R341 VanDerWaalsContact OG-NH2 3.11Å; Y339-R341 VanDerWaalsContact C-N 3.33Å; Y339-R341 PolarHBondContact O-N 3.13Å; R341-N343 VanDerWaalsContact C-N 3.26Å; R341-N343 PolarHBondContact O-N 2.91Å; R341-S344 PolarHBondContact O-N 3.4Å
342	A	96.3	Very high	94.4	Very high	81 Å²	81	82 Å²	82	67%	0.669	42%	0.423	S	S	*	.	H	α-helix	trans	-65.2	-29.7	-179.8	0	0	0	0	0	113.1	S338 Y339	S338-A342 WeakPolarHBondContact O-CB 3.46Å; S338-A342 PolarHBondContact O-N 2.94Å; Y339-A342 PolarHBondContact O-N 3.45Å
343	N	96.5	Very high	94.5	Very high	89 Å²	89	80.8 Å²	80.8	48%	0.476	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10.8	-178.5	-67.4	-81.9	0	0	0	113.8	Y339 R341 V345	Y339-N343 WeakPolarHBondContact CE2-ND2 3.16Å; Y339-N343 PolarHBondContact O-N 2.92Å; Y339-N343 PolarHBondContact O-ND2 3.08Å; R341-N343 VanDerWaalsContact C-N 3.26Å; R341-N343 PolarHBondContact O-N 2.91Å; N343-V345 HydrophobicContact CB-CG2 4.27Å; N343-V345 PolarHBondContact O-N 2.99Å; N343-V345 VanDerWaalsContact O-N 3.15Å
344	S	93.6	Very high	94.6	Very high	107 Å²	107	82.5 Å²	82.5	75%	0.748	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	42.8	178.7	-59.5	0	0	0	0	113.7	M340 R341	M340-S344 PolarHBondContact O-N 3.36Å; R341-S344 PolarHBondContact O-N 3.4Å
345	V	95	Very high	94.5	Very high	32 Å²	32	84.9 Å²	84.9	19%	0.194	43%	0.429	C	S	.	.			trans	-60.7	142.9	-180	177.3	0	0	0	0	109.9	M340 N343 L349 Q350	M340-V345 HydrophobicContact CB-CB 4.18Å; M340-V345 HydrophobicContact CB-CG2 4.17Å; M340-V345 HydrophobicContact CG-CB 4.35Å; M340-V345 HydrophobicContact CG-CG2 4.19Å; M340-V345 PolarHBondContact O-N 2.89Å; M340-V345 VanDerWaalsContact O-N 3.1Å; N343-V345 HydrophobicContact CB-CG2 4.27Å; N343-V345 PolarHBondContact O-N 2.99Å; N343-V345 VanDerWaalsContact O-N 3.15Å; V345-L349 HydrophobicContact CG1-CB 4.07Å; V345-L349 HydrophobicContact CG1-CD2 3.8Å; V345-L349 HydrophobicContact CG1-CG 3.98Å; V345-Q350 HydrophobicContact CB-CG 4.01Å; V345-Q350 HydrophobicContact CG1-CG 3.97Å; V345-Q350 PolarHBondContact O-NE2 3.18Å
346	D	95.9	Very high	94.3	Very high	106 Å²	106	83.4 Å²	83.4	57%	0.567	42%	0.418	S	S	*	.			trans	-57.2	142.8	179.4	179.3	62.2	0	0	0	113.1	D348 L349 Q350	D346-D348 VanDerWaalsContact C-N 3.3Å; D346-D348 PolarHBondContact O-N 2.84Å; D346-D348 WeakPolarHBondContact OD2-CB 3.46Å; D346-D348 PolarHBondContact OD2-N 3.46Å; D346-L349 PolarHBondContact O-N 3.17Å; D346-Q350 WeakPolarHBondContact O-CG 3.39Å; D346-Q350 PolarHBondContact O-N 3.02Å
347	K	93.3	Very high	94.2	Very high	168 Å²	168	84.4 Å²	84.4	73%	0.73	42%	0.418	S	S	*	.	H	α-helix	trans	-64.1	-31.8	-174.3	-72.4	-170	179.4	-179.3	0	113.2	S351	K347-S351 WeakPolarHBondContact O-CB 3.43Å; K347-S351 PolarHBondContact O-N 3.28Å; K347-S351 PolarHBondContact O-OG 3.29Å
348	D	92.4	Very high	93.9	Very high	100 Å²	100	86.2 Å²	86.2	54%	0.535	43%	0.431	S	S	.	.	H	α-helix	trans	-66.1	-48.2	175.9	-176.4	72.5	0	0	0	110	D346 Q350 S351 R352	D346-D348 VanDerWaalsContact C-N 3.3Å; D346-D348 PolarHBondContact O-N 2.84Å; D346-D348 WeakPolarHBondContact OD2-CB 3.46Å; D346-D348 PolarHBondContact OD2-N 3.46Å; D348-Q350 PolarHBondContact O-N 3.47Å; D348-S351 WeakPolarHBondContact O-CB 3.42Å; D348-S351 PolarHBondContact O-N 3.48Å; D348-R352 WeakPolarHBondContact O-CG 3.3Å; D348-R352 PolarHBondContact O-N 3.41Å
349	L	93.1	Very high	93.7	Very high	75 Å²	75	85.2 Å²	85.2	39%	0.393	42%	0.419	S	S	.	.	H	α-helix	trans	-63.3	-42	177.6	-177.3	57.2	0	0	0	112.1	V345 D346 S351 R352 I353	V345-L349 HydrophobicContact CG1-CB 4.07Å; V345-L349 HydrophobicContact CG1-CD2 3.8Å; V345-L349 HydrophobicContact CG1-CG 3.98Å; D346-L349 PolarHBondContact O-N 3.17Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 3.08Å; L349-R352 PolarHBondContact O-N 2.95Å; L349-I353 HydrophobicContact CD1-CD1 4.15Å; L349-I353 HydrophobicContact CD1-CG1 4.31Å; L349-I353 HydrophobicContact CG-CD1 3.96Å; L349-I353 WeakPolarHBondContact O-CG1 3.41Å; L349-I353 PolarHBondContact O-N 2.9Å
350	Q	94.3	Very high	93.2	Very high	46 Å²	46	77.9 Å²	77.9	22%	0.215	39%	0.391	C	S	.	.	H	α-helix	trans	-56.8	-47	173.4	-68.7	-171.8	26.5	0	0	111.4	M340 V345 D346 D348 R352 I353 L354	M340-Q350 HydrophobicContact CB-CG 4.1Å; M340-Q350 HydrophobicContact CE-CB 4.45Å; M340-Q350 HydrophobicContact CE-CG 4.45Å; M340-Q350 HydrophobicContact CG-CG 4.41Å; M340-Q350 HydrophobicContact SD-CB 4.07Å; M340-Q350 HydrophobicContact SD-CG 3.8Å; V345-Q350 HydrophobicContact CB-CG 4.01Å; V345-Q350 HydrophobicContact CG1-CG 3.97Å; V345-Q350 PolarHBondContact O-NE2 3.18Å; D346-Q350 WeakPolarHBondContact O-CG 3.39Å; D346-Q350 PolarHBondContact O-N 3.02Å; D348-Q350 PolarHBondContact O-N 3.47Å; Q350-R352 VanDerWaalsContact C-N 3.31Å; Q350-R352 PolarHBondContact O-N 3.44Å; Q350-I353 PolarHBondContact O-N 3.43Å; Q350-L354 WeakPolarHBondContact O-CG 3.46Å; Q350-L354 PolarHBondContact O-N 3.25Å
351	S	93.1	Very high	92.8	Very high	63 Å²	63	82.4 Å²	82.4	44%	0.441	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-37.6	-179.5	-58.6	0	0	0	0	112	K347 D348 L349 R355	K347-S351 WeakPolarHBondContact O-CB 3.43Å; K347-S351 PolarHBondContact O-N 3.28Å; K347-S351 PolarHBondContact O-OG 3.29Å; D348-S351 WeakPolarHBondContact O-CB 3.42Å; D348-S351 PolarHBondContact O-N 3.48Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 3.08Å; S351-R355 VanDerWaalsContact O-CB 3.23Å; S351-R355 WeakPolarHBondContact O-CB 3.32Å; S351-R355 PolarHBondContact O-N 3.46Å
352	R	92.4	Very high	92.4	Very high	93 Å²	93	78.2 Å²	78.2	35%	0.351	41%	0.405	S	S	.	.	H	α-helix	trans	-65.2	-44.2	174.2	-72	174.9	61.9	-162.5	-0.9	112.3	D348 L349 Q350 R355 W356 D425	D348-R352 WeakPolarHBondContact O-CG 3.3Å; D348-R352 PolarHBondContact O-N 3.41Å; L349-R352 PolarHBondContact O-N 2.95Å; Q350-R352 VanDerWaalsContact C-N 3.31Å; Q350-R352 PolarHBondContact O-N 3.44Å; R352-R355 PolarHBondContact O-N 2.8Å; R352-W356 PolarHBondContact O-N 3.22Å; R352-D425 IonicContact CZ-OD1 3Å; R352-D425 IonicContact NH2-OD1 2.79Å; R352-D425 PolarHBondContact NH2-OD1 3.25Å
353	I	93.2	Very high	91.7	Very high	53 Å²	53	78.2 Å²	78.2	27%	0.272	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-46.1	177.9	-68.4	165.7	0	0	0	110.8	M340 L349 Q350 R355 W356 Y357	M340-I353 HydrophobicContact CE-CG2 4.33Å; M340-I353 HydrophobicContact SD-CB 4.06Å; M340-I353 HydrophobicContact SD-CD1 3.64Å; M340-I353 HydrophobicContact SD-CG1 4.46Å; M340-I353 HydrophobicContact SD-CG2 4.02Å; L349-I353 HydrophobicContact CD1-CD1 4.15Å; L349-I353 HydrophobicContact CD1-CG1 4.31Å; L349-I353 HydrophobicContact CG-CD1 3.96Å; L349-I353 WeakPolarHBondContact O-CG1 3.41Å; L349-I353 PolarHBondContact O-N 2.9Å; Q350-I353 PolarHBondContact O-N 3.43Å; I353-R355 VanDerWaalsContact C-N 3.34Å; I353-R355 PolarHBondContact O-N 2.98Å; I353-W356 WeakPolarHBondContact O-CB 3.45Å; I353-W356 PolarHBondContact O-N 3.36Å; I353-Y357 HydrophobicContact CG2-CD2 3.84Å; I353-Y357 HydrophobicContact CG2-CE2 3.68Å; I353-Y357 VanDerWaalsContact O-CD2 3.3Å; I353-Y357 WeakPolarHBondContact O-CD2 3.48Å; I353-Y357 PolarHBondContact O-N 3.4Å
354	L	93.6	Very high	90.7	Very high	52 Å²	52	75.6 Å²	75.6	27%	0.272	38%	0.383	S	S	.	.	H	α-helix	trans	-61.6	-43.8	178.2	-68.1	176.5	0	0	0	111.7	L333 K337 M340 Q350 W356 Y357 D358	L333-L354 HydrophobicContact CD1-CD2 3.73Å; K337-L354 HydrophobicContact CD-CD2 4.47Å; K337-L354 HydrophobicContact CG-CD2 3.88Å; M340-L354 HydrophobicContact CE-CD2 4.13Å; M340-L354 HydrophobicContact CE-CG 4.31Å; Q350-L354 WeakPolarHBondContact O-CG 3.46Å; Q350-L354 PolarHBondContact O-N 3.25Å; L354-W356 VanDerWaalsContact C-N 3.28Å; L354-W356 PolarHBondContact O-N 2.98Å; L354-Y357 WeakPolarHBondContact O-CB 3.46Å; L354-Y357 PolarHBondContact O-N 2.95Å; L354-Y357 VanDerWaalsContact O-N 3.1Å; L354-D358 PolarHBondContact O-N 3.42Å
355	R	92.1	Very high	89.4	Confident	125 Å²	125	72.4 Å²	72.4	47%	0.472	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-37.6	175	-176.6	-173.9	-57.4	-179	5.6	112.6	S351 R352 I353 Y359 Y487	S351-R355 VanDerWaalsContact O-CB 3.23Å; S351-R355 WeakPolarHBondContact O-CB 3.32Å; S351-R355 PolarHBondContact O-N 3.46Å; R352-R355 PolarHBondContact O-N 2.8Å; I353-R355 VanDerWaalsContact C-N 3.34Å; I353-R355 PolarHBondContact O-N 2.98Å; R355-Y359 WeakPolarHBondContact O-CB 3.22Å; R355-Y359 PolarHBondContact O-N 2.9Å; R355-Y487 WeakPolarHBondContact CD-OH 3.24Å; R355-Y487 HydrophobicContact CG-CE1 4.24Å; R355-Y487 WeakPolarHBondContact CG-OH 3.44Å
356	W	92.2	Very high	87.4	Confident	88 Å²	88	72.2 Å²	72.2	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-48.5	172.6	179.7	91.9	0	0	0	111.3	R352 I353 L354 D358 Y359 A360 V420 T422	R352-W356 PolarHBondContact O-N 3.22Å; I353-W356 WeakPolarHBondContact O-CB 3.45Å; I353-W356 PolarHBondContact O-N 3.36Å; L354-W356 VanDerWaalsContact C-N 3.28Å; L354-W356 PolarHBondContact O-N 2.98Å; W356-D358 PolarHBondContact O-N 3.03Å; W356-Y359 PolarHBondContact O-N 3.32Å; W356-A360 HydrophobicContact CH2-CB 4.43Å; W356-A360 HydrophobicContact CZ2-CB 4.45Å; W356-A360 HydrophobicContact CZ3-CB 4.48Å; W356-A360 VanDerWaalsContact O-CB 3.26Å; W356-A360 WeakPolarHBondContact O-CB 3.22Å; W356-A360 PolarHBondContact O-N 3.33Å; W356-V420 PolarHBondContact NE1-O 3.06Å; W356-T422 HydrophobicContact CB-CG2 3.7Å; W356-T422 HydrophobicContact CG-CG2 4.19Å
357	Y	92.1	Very high	85.4	Confident	40 Å²	40	68 Å²	68	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-45.6	177.6	-83.8	-74.3	0	0	0	111.6	F329 I332 L333 A336 I353 L354 Y359 A360 W361	F329-Y357 AromaticContact CE2-CD1 3.86Å; F329-Y357 HydrophobicContact CE2-CD1 3.86Å; F329-Y357 AromaticContact CZ-CD1 3.68Å; F329-Y357 HydrophobicContact CZ-CD1 3.68Å; F329-Y357 HydrophobicContact CZ-CG 4.34Å; F329-Y357 WeakPolarHBondContact CZ-O 3.47Å; I332-Y357 HydrophobicContact CG2-CE1 4.08Å; L333-Y357 HydrophobicContact CD1-CD1 4.31Å; L333-Y357 HydrophobicContact CD1-CD2 3.73Å; L333-Y357 HydrophobicContact CD1-CE2 4.36Å; L333-Y357 HydrophobicContact CD1-CG 3.72Å; A336-Y357 HydrophobicContact CB-CE2 3.88Å; I353-Y357 HydrophobicContact CG2-CD2 3.84Å; I353-Y357 HydrophobicContact CG2-CE2 3.68Å; I353-Y357 VanDerWaalsContact O-CD2 3.3Å; I353-Y357 WeakPolarHBondContact O-CD2 3.48Å; I353-Y357 PolarHBondContact O-N 3.4Å; L354-Y357 WeakPolarHBondContact O-CB 3.46Å; L354-Y357 PolarHBondContact O-N 2.95Å; L354-Y357 VanDerWaalsContact O-N 3.1Å; Y357-Y359 VanDerWaalsContact C-N 3.34Å; Y357-Y359 PolarHBondContact O-N 3.01Å; Y357-A360 PolarHBondContact O-N 3.27Å; Y357-W361 WeakPolarHBondContact O-CB 3.21Å; Y357-W361 PolarHBondContact O-N 3.13Å
358	D	90.4	Very high	83.4	Confident	105 Å²	105	62.3 Å²	62.3	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-58.8	-45.5	178.2	-68	-27.8	0	0	0	111.5	L354 W356 S362	L354-D358 PolarHBondContact O-N 3.42Å; W356-D358 PolarHBondContact O-N 3.03Å; D358-S362 WeakPolarHBondContact O-CB 3.3Å; D358-S362 PolarHBondContact O-N 2.76Å
359	Y	90.1	Very high	81.6	Confident	33 Å²	33	60.8 Å²	60.8	13%	0.129	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-46.6	178.1	-173.7	-88.6	0	0	0	111.7	R355 W356 Y357 W361 S362 K363 V420 Y487 E489	R355-Y359 WeakPolarHBondContact O-CB 3.22Å; R355-Y359 PolarHBondContact O-N 2.9Å; W356-Y359 PolarHBondContact O-N 3.32Å; Y357-Y359 VanDerWaalsContact C-N 3.34Å; Y357-Y359 PolarHBondContact O-N 3.01Å; Y359-W361 VanDerWaalsContact C-N 3.28Å; Y359-W361 PolarHBondContact O-N 2.98Å; Y359-S362 PolarHBondContact O-N 2.81Å; Y359-S362 VanDerWaalsContact O-N 3.13Å; Y359-S362 PolarHBondContact O-OG 3.22Å; Y359-K363 HydrophobicContact CD1-CG 4.21Å; Y359-K363 HydrophobicContact CE1-CG 3.75Å; Y359-K363 HydrophobicContact CE2-CG 4.49Å; Y359-K363 PolarHBondContact O-N 3.04Å; Y359-K363 VanDerWaalsContact O-N 3.09Å; Y359-K363 WeakPolarHBondContact OH-CE 3.38Å; Y359-V420 HydrophobicContact CD1-CG1 3.56Å; Y359-V420 HydrophobicContact CE1-CG1 3.77Å; Y359-Y487 AromaticContact CD1-CD1 3.78Å; Y359-Y487 HydrophobicContact CD1-CD1 3.78Å; Y359-Y487 HydrophobicContact CD1-CE1 4.37Å; Y359-Y487 HydrophobicContact CD1-CG 4.21Å; Y359-Y487 AromaticContact CD2-CD1 3.51Å; Y359-Y487 HydrophobicContact CD2-CD1 3.51Å; Y359-Y487 AromaticContact CD2-CD2 3.74Å; Y359-Y487 HydrophobicContact CD2-CD2 3.74Å; Y359-Y487 AromaticContact CD2-CE1 3.71Å; Y359-Y487 HydrophobicContact CD2-CE1 3.71Å; Y359-Y487 AromaticContact CD2-CE2 3.92Å; Y359-Y487 HydrophobicContact CD2-CE2 3.92Å; Y359-Y487 AromaticContact CD2-CG 3.5Å; Y359-Y487 HydrophobicContact CD2-CG 3.5Å; Y359-Y487 VanDerWaalsContact CD2-CG 3.5Å; Y359-Y487 AromaticContact CD2-CZ 3.88Å; Y359-Y487 HydrophobicContact CE1-CD1 4.13Å; Y359-Y487 HydrophobicContact CE1-CG 4.15Å; Y359-Y487 AromaticContact CE2-CD1 3.89Å; Y359-Y487 HydrophobicContact CE2-CD1 3.89Å; Y359-Y487 AromaticContact CE2-CD2 3.67Å; Y359-Y487 HydrophobicContact CE2-CD2 3.67Å; Y359-Y487 HydrophobicContact CE2-CE1 4.48Å; Y359-Y487 HydrophobicContact CE2-CE2 4.28Å; Y359-Y487 AromaticContact CE2-CG 3.42Å; Y359-Y487 HydrophobicContact CE2-CG 3.42Å; Y359-Y487 VanDerWaalsContact CE2-CG 3.42Å; Y359-Y487 AromaticContact CG-CD1 3.42Å; Y359-Y487 HydrophobicContact CG-CD1 3.42Å; Y359-Y487 VanDerWaalsContact CG-CD1 3.42Å; Y359-Y487 AromaticContact CG-CE1 3.62Å; Y359-Y487 HydrophobicContact CG-CE1 3.62Å; Y359-Y487 AromaticContact CG-CG 3.89Å; Y359-Y487 HydrophobicContact CG-CG 3.89Å; Y359-Y487 AromaticContact CZ-CG 3.75Å; Y359-E489 HydrophobicContact CE1-CG 4.42Å; Y359-E489 PolarHBondContact OH-OE1 3.13Å
360	A	87.7	Confident	80	Confident	2 Å²	2	60.7 Å²	60.7	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-59.7	-37.5	178.5	0	0	0	0	0	112.3	W356 Y357 G364 C365 G366	W356-A360 HydrophobicContact CH2-CB 4.43Å; W356-A360 HydrophobicContact CZ2-CB 4.45Å; W356-A360 HydrophobicContact CZ3-CB 4.48Å; W356-A360 VanDerWaalsContact O-CB 3.26Å; W356-A360 WeakPolarHBondContact O-CB 3.22Å; W356-A360 PolarHBondContact O-N 3.33Å; Y357-A360 PolarHBondContact O-N 3.27Å; A360-G364 PolarHBondContact O-N 3.35Å; A360-C365 HydrophobicContact CB-CB 4.31Å; A360-C365 WeakPolarHBondContact O-CB 3.31Å; A360-C365 PolarHBondContact O-N 3.26Å; A360-G366 PolarHBondContact O-N 2.93Å
361	W	87.2	Confident	78.8	Confident	102 Å²	102	61 Å²	61	39%	0.386	35%	0.345	S	S	.	.	H	α-helix	trans	-67	-46.8	172.5	178.9	-110.7	0	0	0	111.9	R326 F329 Y357 Y359 K363 G364	R326-W361 VanDerWaalsContact CA-CH2 3.48Å; R326-W361 HydrophobicContact CB-CH2 3.7Å; R326-W361 HydrophobicContact CB-CZ2 3.96Å; R326-W361 HydrophobicContact CG-CH2 4.14Å; R326-W361 HydrophobicContact CG-CZ2 3.97Å; F329-W361 HydrophobicContact CB-CE3 3.8Å; F329-W361 HydrophobicContact CB-CZ3 3.67Å; F329-W361 HydrophobicContact CD1-CB 4.34Å; F329-W361 AromaticContact CD1-CD2 3.95Å; F329-W361 HydrophobicContact CD1-CD2 3.95Å; F329-W361 AromaticContact CD1-CE3 3.63Å; F329-W361 HydrophobicContact CD1-CE3 3.63Å; F329-W361 HydrophobicContact CD1-CG 4.25Å; F329-W361 HydrophobicContact CD1-CZ3 4.29Å; F329-W361 AromaticContact CD2-CE3 3.88Å; F329-W361 HydrophobicContact CD2-CE3 3.88Å; F329-W361 HydrophobicContact CD2-CZ3 4.49Å; F329-W361 HydrophobicContact CE1-CB 3.71Å; F329-W361 HydrophobicContact CE1-CD2 4.22Å; F329-W361 HydrophobicContact CE1-CE3 4.18Å; F329-W361 HydrophobicContact CE1-CG 4.03Å; F329-W361 HydrophobicContact CE2-CB 4.27Å; F329-W361 HydrophobicContact CE2-CE3 4.38Å; F329-W361 HydrophobicContact CG-CD2 4.25Å; F329-W361 AromaticContact CG-CE3 3.46Å; F329-W361 HydrophobicContact CG-CE3 3.46Å; F329-W361 VanDerWaalsContact CG-CE3 3.46Å; F329-W361 AromaticContact CG-CZ3 3.9Å; F329-W361 HydrophobicContact CG-CZ3 3.9Å; F329-W361 HydrophobicContact CZ-CB 3.67Å; F329-W361 HydrophobicContact CZ-CG 4.43Å; Y357-W361 WeakPolarHBondContact O-CB 3.21Å; Y357-W361 PolarHBondContact O-N 3.13Å; Y359-W361 VanDerWaalsContact C-N 3.28Å; Y359-W361 PolarHBondContact O-N 2.98Å; W361-K363 PolarHBondContact O-N 3.07Å; W361-K363 VanDerWaalsContact O-N 3.15Å; W361-G364 PolarHBondContact O-N 3.49Å
362	S	86.5	Confident	78	Confident	83 Å²	83	59.2 Å²	59.2	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-60	-27.7	-178.6	77.6	0	0	0	0	113.7	D358 Y359	D358-S362 WeakPolarHBondContact O-CB 3.3Å; D358-S362 PolarHBondContact O-N 2.76Å; Y359-S362 PolarHBondContact O-N 2.81Å; Y359-S362 VanDerWaalsContact O-N 3.13Å; Y359-S362 PolarHBondContact O-OG 3.22Å
363	K	82	Confident	77	Confident	80 Å²	80	58 Å²	58	35%	0.348	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.8	178.6	-69.8	-65.1	-170.8	125.9	0	114.5	Y359 W361 C365 D442 E489	Y359-K363 HydrophobicContact CD1-CG 4.21Å; Y359-K363 HydrophobicContact CE1-CG 3.75Å; Y359-K363 HydrophobicContact CE2-CG 4.49Å; Y359-K363 PolarHBondContact O-N 3.04Å; Y359-K363 VanDerWaalsContact O-N 3.09Å; Y359-K363 WeakPolarHBondContact OH-CE 3.38Å; W361-K363 PolarHBondContact O-N 3.07Å; W361-K363 VanDerWaalsContact O-N 3.15Å; K363-C365 VanDerWaalsContact C-N 3.33Å; K363-D442 IonicContact NZ-OD2 2.7Å; K363-E489 WeakPolarHBondContact CD-OE1 3.13Å; K363-E489 WeakPolarHBondContact CE-OE1 3.21Å; K363-E489 WeakPolarHBondContact CG-OE1 3.42Å; K363-E489 IonicContact NZ-OE1 3.76Å; K363-E489 PolarHBondContact NZ-OE1 2.7Å
364	G	75.2	Confident	76.1	Confident	34 Å²	34	59.7 Å²	59.7	35%	0.351	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	5.8	-178.1	0	0	0	0	0	114.9	A360 W361 G366	A360-G364 PolarHBondContact O-N 3.35Å; W361-G364 PolarHBondContact O-N 3.49Å; G364-G366 VanDerWaalsContact C-N 3.31Å; G364-G366 PolarHBondContact O-N 3.09Å
365	C	65.1	Low	75.2	Confident	40 Å²	40	60.9 Å²	60.9	27%	0.27	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-30.4	178.9	-57.2	0	0	0	0	112.4	A360 K363 Q370 V420	A360-C365 HydrophobicContact CB-CB 4.31Å; A360-C365 WeakPolarHBondContact O-CB 3.31Å; A360-C365 PolarHBondContact O-N 3.26Å; K363-C365 VanDerWaalsContact C-N 3.33Å; C365-Q370 VanDerWaalsContact CA-OE1 3.31Å; C365-Q370 PolarHBondContact SG-OE1 3.47Å; C365-V420 HydrophobicContact CB-CG2 4.4Å
366	G	54.6	Low	74.2	Confident	28 Å²	28	57.8 Å²	57.8	29%	0.289	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-19.6	-170.4	0	0	0	0	0	116.1	A360 G364	A360-G366 PolarHBondContact O-N 2.93Å; G364-G366 VanDerWaalsContact C-N 3.31Å; G364-G366 PolarHBondContact O-N 3.09Å
367	G	53	Low	73.9	Confident	19 Å²	19	62.2 Å²	62.2	20%	0.196	39%	0.386	C	S	.	.	S	Bend	trans	-115.9	55.6	-170.2	0	0	0	0	0	113.3	G369	G367-G369 PolarHBondContact O-N 3.03Å
368	G	50.8	Low	73.7	Confident	47 Å²	47	62.7 Å²	62.7	49%	0.485	39%	0.39	S	S	.	.	S	Bend	trans	58	-6.8	173.2	0	0	0	0	0	117.6
369	G	54.5	Low	73.7	Confident	69 Å²	69	61.3 Å²	61.3	71%	0.711	39%	0.387	S	S	*	.	S	Bend	trans	-85.4	-15.9	-163.9	0	0	0	0	0	114.4	G367	G367-G369 PolarHBondContact O-N 3.03Å
370	Q	60.4	Low	73.7	Confident	72 Å²	72	64.9 Å²	64.9	34%	0.336	41%	0.409	S	S	.	.	S	Bend	trans	-102.3	-23.5	-176.5	-142.2	148.7	7.9	0	0	113.3	C365 I372 P418	C365-Q370 VanDerWaalsContact CA-OE1 3.31Å; C365-Q370 PolarHBondContact SG-OE1 3.47Å; Q370-I372 PolarHBondContact O-N 3.42Å; Q370-P418 HydrophobicContact CB-CG 4.36Å; Q370-P418 HydrophobicContact CG-CG 4.48Å
371	D	69.5	Low	73.9	Confident	54 Å²	54	73.2 Å²	73.2	29%	0.289	44%	0.444	S	S	.	.			trans	-85.6	99.3	171	-170.6	-0.2	0	0	0	109.6	N373 T374	D371-N373 PolarHBondContact O-N 3.14Å; D371-N373 VanDerWaalsContact O-N 3.08Å; D371-N373 WeakPolarHBondContact OD1-CB 3.5Å; D371-N373 PolarHBondContact OD1-N 3.22Å; D371-N373 PolarHBondContact OD1-ND2 2.91Å; D371-T374 WeakPolarHBondContact O-CB 3.31Å; D371-T374 PolarHBondContact O-N 3Å; D371-T374 PolarHBondContact O-OG1 3.07Å
372	I	74.6	Confident	74.1	Confident	25 Å²	25	72.5 Å²	72.5	13%	0.128	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-57.6	-22.4	177.2	-161	174.2	0	0	0	112.8	Q370 T374 I375 K383 L386 A387 L414	Q370-I372 PolarHBondContact O-N 3.42Å; I372-T374 PolarHBondContact O-N 3.31Å; I372-I375 HydrophobicContact CG1-CD1 3.78Å; I372-I375 HydrophobicContact CG1-CG1 4.37Å; I372-I375 WeakPolarHBondContact O-CB 3.39Å; I372-I375 WeakPolarHBondContact O-CG1 3.27Å; I372-I375 PolarHBondContact O-N 3.44Å; I372-K383 HydrophobicContact CD1-CB 4.26Å; I372-K383 WeakPolarHBondContact CD1-O 3.42Å; I372-L386 HydrophobicContact CD1-CB 3.93Å; I372-L386 HydrophobicContact CD1-CD2 4.04Å; I372-L386 HydrophobicContact CD1-CG 3.94Å; I372-A387 HydrophobicContact CD1-CB 3.65Å; I372-A387 HydrophobicContact CG2-CB 4.29Å; I372-L414 HydrophobicContact CG2-CD2 3.62Å
373	N	73.2	Confident	74.3	Confident	68 Å²	68	69.5 Å²	69.5	36%	0.364	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-66.1	-20.3	176.3	-61.6	-56.7	0	0	0	112.4	D371 I375 L414	D371-N373 PolarHBondContact O-N 3.14Å; D371-N373 VanDerWaalsContact O-N 3.08Å; D371-N373 WeakPolarHBondContact OD1-CB 3.5Å; D371-N373 PolarHBondContact OD1-N 3.22Å; D371-N373 PolarHBondContact OD1-ND2 2.91Å; N373-I375 PolarHBondContact O-N 3.44Å; N373-L414 PolarHBondContact ND2-O 3.41Å; N373-L414 PolarHBondContact OD1-O 3.19Å
374	T	72.8	Confident	74.7	Confident	88 Å²	88	66.4 Å²	66.4	54%	0.54	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-69.3	-21.8	172.9	-44.1	0	0	0	0	112.2	D371 I372 G376	D371-T374 WeakPolarHBondContact O-CB 3.31Å; D371-T374 PolarHBondContact O-N 3Å; D371-T374 PolarHBondContact O-OG1 3.07Å; I372-T374 PolarHBondContact O-N 3.31Å; T374-G376 PolarHBondContact O-N 3.45Å
375	I	74.8	Confident	75.5	Confident	77 Å²	77	70.3 Å²	70.3	40%	0.395	42%	0.421	S	S	.	.			trans	-72	94.6	177.9	-53.8	-177.4	0	0	0	108.8	I372 N373 L378 K383 L386	I372-I375 HydrophobicContact CG1-CD1 3.78Å; I372-I375 HydrophobicContact CG1-CG1 4.37Å; I372-I375 WeakPolarHBondContact O-CB 3.39Å; I372-I375 WeakPolarHBondContact O-CG1 3.27Å; I372-I375 PolarHBondContact O-N 3.44Å; N373-I375 PolarHBondContact O-N 3.44Å; I375-L378 HydrophobicContact CG2-CB 3.9Å; I375-L378 HydrophobicContact CG2-CD2 4.35Å; I375-K383 WeakPolarHBondContact O-CE 3.5Å; I375-K383 PolarHBondContact O-NZ 3.5Å; I375-L386 HydrophobicContact CD1-CD2 4.05Å
376	G	72.3	Confident	76.7	Confident	60 Å²	60	71.8 Å²	71.8	62%	0.619	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-81.4	-170	0	0	0	0	0	115.5	T374 L378 K383	T374-G376 PolarHBondContact O-N 3.45Å; G376-L378 PolarHBondContact O-N 2.94Å; G376-K383 PolarHBondContact O-NZ 3.43Å
377	L	84.2	Confident	78.3	Confident	181 Å²	181	70.7 Å²	70.7	95%	0.948	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-6.1	-166.7	-80.1	134.7	0	0	0	116.2	P379	L377-P379 WeakPolarHBondContact O-CD 3.39Å
378	L	89	Confident	79.9	Confident	49 Å²	49	70.8 Å²	70.8	26%	0.257	41%	0.41	S	S	.	.	S	Bend	trans	-77.9	126.2	-175.9	-167.1	66.7	0	0	0	110.2	I375 G376 L382 K383 L386	I375-L378 HydrophobicContact CG2-CB 3.9Å; I375-L378 HydrophobicContact CG2-CD2 4.35Å; G376-L378 PolarHBondContact O-N 2.94Å; L378-L382 HydrophobicContact CD1-CB 3.78Å; L378-L382 HydrophobicContact CD1-CD1 4Å; L378-L382 HydrophobicContact CD2-CB 4.32Å; L378-L382 HydrophobicContact CG-CB 3.92Å; L378-K383 HydrophobicContact CB-CG 3.89Å; L378-K383 HydrophobicContact CD2-CB 4.46Å; L378-K383 HydrophobicContact CD2-CG 3.75Å; L378-K383 HydrophobicContact CG-CG 3.88Å; L378-K383 WeakPolarHBondContact O-CD 3.33Å; L378-K383 WeakPolarHBondContact O-CE 3.42Å; L378-K383 PolarHBondContact O-NZ 2.89Å; L378-L386 HydrophobicContact CD2-CD2 4.1Å
379	P	90.9	Very high	81.6	Confident	77 Å²	77	74.1 Å²	74.1	50%	0.5	42%	0.417	S	S	.	.			trans	-61.8	147.7	175.1	-22.7	33.3	0	0	0	112.5	L377 K381 L382 K383	L377-P379 WeakPolarHBondContact O-CD 3.39Å; P379-K381 VanDerWaalsContact C-N 3.28Å; P379-K381 PolarHBondContact O-N 2.9Å; P379-K381 VanDerWaalsContact O-N 3.17Å; P379-L382 PolarHBondContact O-N 3.29Å; P379-K383 PolarHBondContact O-N 3.38Å
380	D	90.1	Very high	83	Confident	108 Å²	108	76 Å²	76	58%	0.578	41%	0.414	S	S	*	.	H	α-helix	trans	-54.9	-39.5	-175	-63.4	-15.2	0	0	0	113.5	L382 K383 T384 L414	D380-L382 VanDerWaalsContact C-N 3.32Å; D380-L382 PolarHBondContact O-N 2.88Å; D380-K383 WeakPolarHBondContact O-CB 3.39Å; D380-K383 PolarHBondContact O-N 2.89Å; D380-T384 PolarHBondContact O-N 3.41Å; D380-T384 PolarHBondContact O-OG1 3.2Å; D380-L414 HydrophobicContact CB-CD1 4.32Å
381	K	90.6	Very high	84.1	Confident	176 Å²	176	74.3 Å²	74.3	77%	0.765	41%	0.407	S	S	*	.	H	α-helix	trans	-56.9	-44.7	176.4	-65.5	-175.3	177.5	-174.3	0	112.6	P379 E385	P379-K381 VanDerWaalsContact C-N 3.28Å; P379-K381 PolarHBondContact O-N 2.9Å; P379-K381 VanDerWaalsContact O-N 3.17Å; K381-E385 PolarHBondContact O-N 3.38Å
382	L	91.9	Very high	84.7	Confident	87 Å²	87	74.8 Å²	74.8	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-76.1	-32.2	178.8	-68.8	177	0	0	0	111.8	L378 P379 D380 L386	L378-L382 HydrophobicContact CD1-CB 3.78Å; L378-L382 HydrophobicContact CD1-CD1 4Å; L378-L382 HydrophobicContact CD2-CB 4.32Å; L378-L382 HydrophobicContact CG-CB 3.92Å; P379-L382 PolarHBondContact O-N 3.29Å; D380-L382 VanDerWaalsContact C-N 3.32Å; D380-L382 PolarHBondContact O-N 2.88Å; L382-L386 WeakPolarHBondContact O-CB 3.18Å; L382-L386 PolarHBondContact O-N 3.16Å
383	K	91	Very high	85	Confident	20 Å²	20	79.3 Å²	79.3	9%	0.087	43%	0.43	C	S	.	.	H	α-helix	trans	-59.7	-49.5	169.9	-73.2	175.8	167.3	166.5	0	110.4	I372 I375 G376 L378 P379 D380 E385 L386 A387 L414	I372-K383 HydrophobicContact CD1-CB 4.26Å; I372-K383 WeakPolarHBondContact CD1-O 3.42Å; I375-K383 WeakPolarHBondContact O-CE 3.5Å; I375-K383 PolarHBondContact O-NZ 3.5Å; G376-K383 PolarHBondContact O-NZ 3.43Å; L378-K383 HydrophobicContact CB-CG 3.89Å; L378-K383 HydrophobicContact CD2-CB 4.46Å; L378-K383 HydrophobicContact CD2-CG 3.75Å; L378-K383 HydrophobicContact CG-CG 3.88Å; L378-K383 WeakPolarHBondContact O-CD 3.33Å; L378-K383 WeakPolarHBondContact O-CE 3.42Å; L378-K383 PolarHBondContact O-NZ 2.89Å; P379-K383 PolarHBondContact O-N 3.38Å; D380-K383 WeakPolarHBondContact O-CB 3.39Å; D380-K383 PolarHBondContact O-N 2.89Å; K383-E385 PolarHBondContact O-N 3.47Å; K383-L386 PolarHBondContact O-N 2.9Å; K383-A387 WeakPolarHBondContact O-CB 3.18Å; K383-A387 PolarHBondContact O-N 3.26Å; K383-L414 HydrophobicContact CB-CD1 4.03Å; K383-L414 HydrophobicContact CB-CD2 3.83Å
384	T	90.7	Very high	85.5	Confident	16 Å²	16	77.6 Å²	77.6	10%	0.098	42%	0.422	C	S	.	.	H	α-helix	trans	-56.3	-49.9	178.7	-60.1	0	0	0	0	110.9	D380 L386 A387 L388 H410 V413 L414	D380-T384 PolarHBondContact O-N 3.41Å; D380-T384 PolarHBondContact O-OG1 3.2Å; T384-L386 VanDerWaalsContact C-N 3.34Å; T384-L386 PolarHBondContact O-N 3.44Å; T384-A387 PolarHBondContact O-N 2.93Å; T384-L388 HydrophobicContact CG2-CD1 4.04Å; T384-L388 VanDerWaalsContact O-CG 3.24Å; T384-L388 WeakPolarHBondContact O-CG 3.17Å; T384-L388 PolarHBondContact O-N 3.39Å; T384-H410 HydrophobicContact CG2-CB 3.95Å; T384-H410 VanDerWaalsContact CG2-ND1 3.29Å; T384-H410 WeakPolarHBondContact CG2-ND1 3.36Å; T384-H410 WeakPolarHBondContact CG2-O 3.4Å; T384-V413 HydrophobicContact CG2-CG1 3.73Å; T384-L414 VanDerWaalsContact OG1-CD1 3.23Å; T384-L414 WeakPolarHBondContact OG1-CD1 3.2Å
385	E	91.4	Very high	86.1	Confident	116 Å²	116	73.7 Å²	73.7	54%	0.542	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-42.6	177.7	-73	179.8	-172.9	0	0	112.7	K381 K383 N389	K381-E385 PolarHBondContact O-N 3.38Å; K383-E385 PolarHBondContact O-N 3.47Å; E385-N389 WeakPolarHBondContact O-CB 3.24Å; E385-N389 PolarHBondContact O-N 3.22Å
386	L	89.7	Confident	86.5	Confident	71 Å²	71	75.2 Å²	75.2	37%	0.372	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-44.3	177.1	178.1	62.3	0	0	0	111.8	I372 I375 L378 L382 K383 T384 L388 N389 V390	I372-L386 HydrophobicContact CD1-CB 3.93Å; I372-L386 HydrophobicContact CD1-CD2 4.04Å; I372-L386 HydrophobicContact CD1-CG 3.94Å; I375-L386 HydrophobicContact CD1-CD2 4.05Å; L378-L386 HydrophobicContact CD2-CD2 4.1Å; L382-L386 WeakPolarHBondContact O-CB 3.18Å; L382-L386 PolarHBondContact O-N 3.16Å; K383-L386 PolarHBondContact O-N 2.9Å; T384-L386 VanDerWaalsContact C-N 3.34Å; T384-L386 PolarHBondContact O-N 3.44Å; L386-L388 VanDerWaalsContact C-N 3.32Å; L386-L388 PolarHBondContact O-N 2.95Å; L386-N389 PolarHBondContact O-N 2.87Å; L386-V390 HydrophobicContact CD1-CG2 4.09Å; L386-V390 HydrophobicContact CG-CG2 4.44Å; L386-V390 VanDerWaalsContact O-CG2 3.32Å; L386-V390 WeakPolarHBondContact O-CG2 3.21Å; L386-V390 PolarHBondContact O-N 2.88Å
387	A	88	Confident	87.1	Confident	4 Å²	4	78.2 Å²	78.2	3%	0.033	40%	0.398	C	S	.	.	H	α-helix	trans	-60.3	-43.5	178.3	0	0	0	0	0	111.7	I372 K383 T384 N389 V390 N391 V413 L414	I372-A387 HydrophobicContact CD1-CB 3.65Å; I372-A387 HydrophobicContact CG2-CB 4.29Å; K383-A387 WeakPolarHBondContact O-CB 3.18Å; K383-A387 PolarHBondContact O-N 3.26Å; T384-A387 PolarHBondContact O-N 2.93Å; A387-N389 VanDerWaalsContact C-N 3.33Å; A387-V390 PolarHBondContact O-N 3.37Å; A387-N391 PolarHBondContact O-N 3.34Å; A387-V413 HydrophobicContact CB-CG1 4.35Å; A387-V413 HydrophobicContact CB-CG2 3.79Å; A387-L414 HydrophobicContact CB-CD2 4.11Å
388	L	87.8	Confident	87.1	Confident	22 Å²	22	69.6 Å²	69.6	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-63.7	-40.1	176.6	-69.5	171.5	0	0	0	111.7	T384 L386 L392 L395 L409 H410 V413	T384-L388 HydrophobicContact CG2-CD1 4.04Å; T384-L388 VanDerWaalsContact O-CG 3.24Å; T384-L388 WeakPolarHBondContact O-CG 3.17Å; T384-L388 PolarHBondContact O-N 3.39Å; L386-L388 VanDerWaalsContact C-N 3.32Å; L386-L388 PolarHBondContact O-N 2.95Å; L388-L392 WeakPolarHBondContact O-CA 3.5Å; L388-L392 WeakPolarHBondContact O-CB 3.33Å; L388-L392 PolarHBondContact O-N 2.65Å; L388-L395 HydrophobicContact CD2-CD1 4.11Å; L388-L409 HydrophobicContact CD2-CD2 3.66Å; L388-L409 HydrophobicContact CD2-CG 3.66Å; L388-H410 WeakPolarHBondContact CD1-CE1 3.42Å; L388-H410 WeakPolarHBondContact CD1-NE2 3.25Å; L388-V413 HydrophobicContact CD2-CB 4.18Å; L388-V413 HydrophobicContact CD2-CG1 4.21Å; L388-V413 HydrophobicContact CD2-CG2 4.05Å; L388-V413 HydrophobicContact CG-CG1 4.26Å; L388-V413 HydrophobicContact CG-CG2 4.49Å
389	N	87.2	Confident	86.7	Confident	117 Å²	117	70.1 Å²	70.1	63%	0.626	36%	0.358	S	S	*	.	H	α-helix	trans	-69.9	-40.6	179.9	-161.4	-0.1	0	0	0	112	E385 L386 A387	E385-N389 WeakPolarHBondContact O-CB 3.24Å; E385-N389 PolarHBondContact O-N 3.22Å; L386-N389 PolarHBondContact O-N 2.87Å; A387-N389 VanDerWaalsContact C-N 3.33Å
390	V	84.1	Confident	86.3	Confident	107 Å²	107	66.8 Å²	66.8	65%	0.648	34%	0.336	S	S	*	.	H	α-helix	trans	-66	-44.4	178.3	172.4	0	0	0	0	111.6	L386 A387	L386-V390 HydrophobicContact CD1-CG2 4.09Å; L386-V390 HydrophobicContact CG-CG2 4.44Å; L386-V390 VanDerWaalsContact O-CG2 3.32Å; L386-V390 WeakPolarHBondContact O-CG2 3.21Å; L386-V390 PolarHBondContact O-N 2.88Å; A387-V390 PolarHBondContact O-N 3.37Å
391	N	81.5	Confident	86	Confident	37 Å²	37	63 Å²	63	20%	0.198	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	14.4	-175.6	-65.1	-43.5	0	0	0	113.5	A387 E393 T394 L395	A387-N391 PolarHBondContact O-N 3.34Å; N391-E393 VanDerWaalsContact C-N 3.3Å; N391-E393 PolarHBondContact O-N 3.2Å; N391-T394 PolarHBondContact O-N 2.85Å; N391-T394 VanDerWaalsContact O-N 3.09Å; N391-L395 HydrophobicContact CB-CD1 3.85Å; N391-L395 HydrophobicContact CB-CG 4.05Å; N391-L395 WeakPolarHBondContact O-CG 3.41Å; N391-L395 PolarHBondContact O-N 2.95Å
392	L	82.7	Confident	85.6	Confident	64 Å²	64	60.6 Å²	60.6	34%	0.335	31%	0.306	S	S	.	.	H	α-helix	trans	-56.2	-43.5	-169.1	-169	61.4	0	0	0	112.5	L388 T394 K396	L388-L392 WeakPolarHBondContact O-CA 3.5Å; L388-L392 WeakPolarHBondContact O-CB 3.33Å; L388-L392 PolarHBondContact O-N 2.65Å; L392-T394 VanDerWaalsContact C-N 3.32Å; L392-T394 PolarHBondContact O-N 3.44Å; L392-K396 HydrophobicContact CD1-CD 4.28Å; L392-K396 HydrophobicContact CD1-CG 4.23Å; L392-K396 HydrophobicContact CG-CD 3.97Å; L392-K396 HydrophobicContact CG-CG 4.33Å; L392-K396 WeakPolarHBondContact O-CB 3.38Å; L392-K396 WeakPolarHBondContact O-CG 3.5Å; L392-K396 PolarHBondContact O-N 2.85Å
393	E	82	Confident	85.3	Confident	120 Å²	120	61.1 Å²	61.1	56%	0.561	31%	0.306	S	S	*	.	H	α-helix	trans	-68.2	-30.7	-177.6	-65.1	-54	122.6	0	0	113.2	N391 K397	N391-E393 VanDerWaalsContact C-N 3.3Å; N391-E393 PolarHBondContact O-N 3.2Å; E393-K397 WeakPolarHBondContact O-CD 3.37Å; E393-K397 WeakPolarHBondContact O-CE 3.29Å; E393-K397 WeakPolarHBondContact O-CG 3.2Å
394	T	83.1	Confident	85.1	Confident	32 Å²	32	60.8 Å²	60.8	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-79.9	-48.6	176.8	-57.2	0	0	0	0	110.3	N391 L392 K396 K397 V398 A441 F491	N391-T394 PolarHBondContact O-N 2.85Å; N391-T394 VanDerWaalsContact O-N 3.09Å; L392-T394 VanDerWaalsContact C-N 3.32Å; L392-T394 PolarHBondContact O-N 3.44Å; T394-K396 VanDerWaalsContact C-N 3.31Å; T394-K396 PolarHBondContact O-N 3.45Å; T394-K397 PolarHBondContact O-N 3.33Å; T394-V398 WeakPolarHBondContact O-CG2 3.48Å; T394-A441 HydrophobicContact CG2-CB 3.69Å; T394-F491 HydrophobicContact CG2-CE2 4.09Å
395	L	84.8	Confident	85	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-65.7	-34.2	-177.8	-64	173.9	0	0	0	111.9	L388 N391 K397 V398 F401 L409 V413 M416	L388-L395 HydrophobicContact CD2-CD1 4.11Å; N391-L395 HydrophobicContact CB-CD1 3.85Å; N391-L395 HydrophobicContact CB-CG 4.05Å; N391-L395 WeakPolarHBondContact O-CG 3.41Å; N391-L395 PolarHBondContact O-N 2.95Å; L395-K397 PolarHBondContact O-N 3.46Å; L395-V398 PolarHBondContact O-N 2.83Å; L395-F401 HydrophobicContact CB-CD2 4.45Å; L395-F401 HydrophobicContact CD2-CD2 4.26Å; L395-F401 HydrophobicContact CD2-CE2 3.77Å; L395-L409 HydrophobicContact CB-CD2 4.26Å; L395-L409 HydrophobicContact CD1-CD1 4.23Å; L395-L409 HydrophobicContact CD1-CD2 4.29Å; L395-L409 HydrophobicContact CD2-CD1 4.19Å; L395-V413 HydrophobicContact CD1-CG2 4.08Å; L395-M416 HydrophobicContact CD2-SD 4.43Å
396	K	83	Confident	84.9	Confident	109 Å²	109	66.5 Å²	66.5	47%	0.474	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.2	172.3	-81.4	178.8	179	168.2	0	114.6	L392 T394 H402	L392-K396 HydrophobicContact CD1-CD 4.28Å; L392-K396 HydrophobicContact CD1-CG 4.23Å; L392-K396 HydrophobicContact CG-CD 3.97Å; L392-K396 HydrophobicContact CG-CG 4.33Å; L392-K396 WeakPolarHBondContact O-CB 3.38Å; L392-K396 WeakPolarHBondContact O-CG 3.5Å; L392-K396 PolarHBondContact O-N 2.85Å; T394-K396 VanDerWaalsContact C-N 3.31Å; T394-K396 PolarHBondContact O-N 3.45Å; K396-H402 PolarHBondContact O-CE1 3.46Å; K396-H402 PolarHBondContact O-NE2 3.21Å
397	K	85.2	Confident	84.9	Confident	124 Å²	124	68 Å²	68	54%	0.539	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.4	175.7	-69.2	169.8	-172.8	173.9	0	111.9	E393 T394 L395 T399	E393-K397 WeakPolarHBondContact O-CD 3.37Å; E393-K397 WeakPolarHBondContact O-CE 3.29Å; E393-K397 WeakPolarHBondContact O-CG 3.2Å; T394-K397 PolarHBondContact O-N 3.33Å; L395-K397 PolarHBondContact O-N 3.46Å; K397-T399 PolarHBondContact O-N 2.91Å
398	V	85.5	Confident	85.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.336	C	S	.	.			trans	-78.4	113.2	-173.3	-162.3	0	0	0	0	109.8	T394 L395 I400 F401 I439 G461 F463	T394-V398 WeakPolarHBondContact O-CG2 3.48Å; L395-V398 PolarHBondContact O-N 2.83Å; V398-I400 HydrophobicContact CB-CG2 4.25Å; V398-I400 HydrophobicContact CG1-CG2 3.41Å; V398-I400 VanDerWaalsContact CG1-CG2 3.41Å; V398-I400 PolarHBondContact O-N 3.34Å; V398-I400 VanDerWaalsContact O-N 3.1Å; V398-F401 HydrophobicContact CB-CD2 3.58Å; V398-F401 HydrophobicContact CB-CE2 3.91Å; V398-F401 HydrophobicContact CB-CG 4.39Å; V398-F401 HydrophobicContact CG1-CD2 4.14Å; V398-F401 HydrophobicContact CG1-CE2 4.11Å; V398-F401 HydrophobicContact CG2-CD2 3.96Å; V398-F401 HydrophobicContact CG2-CE2 3.98Å; V398-F401 PolarHBondContact O-N 3.42Å; V398-I439 HydrophobicContact CG1-CG2 4Å; V398-I439 HydrophobicContact CG2-CG2 3.63Å; V398-G461 VanDerWaalsContact CA-O 3.28Å; V398-G461 WeakPolarHBondContact CA-O 3.49Å; V398-G461 WeakPolarHBondContact CG1-O 3.42Å; V398-F463 HydrophobicContact CG1-CD1 4.3Å
399	T	79.8	Confident	85.3	Confident	59 Å²	59	68.1 Å²	68.1	36%	0.362	34%	0.337	S	S	.	.	H	α-helix	trans	-51.9	-37.3	-175.3	49.9	0	0	0	0	113.8	K397 F401 H402	K397-T399 PolarHBondContact O-N 2.91Å; T399-F401 VanDerWaalsContact C-N 3.35Å; T399-F401 PolarHBondContact O-N 3.43Å; T399-H402 PolarHBondContact O-N 2.87Å
400	I	81.9	Confident	85.5	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-39.8	177.9	-167.2	173.2	0	0	0	113.3	V398 H402 E403 C404 F463 V511 I512	V398-I400 HydrophobicContact CB-CG2 4.25Å; V398-I400 HydrophobicContact CG1-CG2 3.41Å; V398-I400 VanDerWaalsContact CG1-CG2 3.41Å; V398-I400 PolarHBondContact O-N 3.34Å; V398-I400 VanDerWaalsContact O-N 3.1Å; I400-H402 VanDerWaalsContact C-N 3.25Å; I400-H402 PolarHBondContact O-N 2.87Å; I400-E403 PolarHBondContact O-N 2.84Å; I400-C404 PolarHBondContact O-N 3.32Å; I400-C404 PolarHBondContact O-SG 2.87Å; I400-F463 HydrophobicContact CB-CD1 4.05Å; I400-F463 HydrophobicContact CB-CE1 3.69Å; I400-F463 HydrophobicContact CB-CZ 4.16Å; I400-F463 HydrophobicContact CD1-CD2 4.42Å; I400-F463 HydrophobicContact CD1-CE1 4.22Å; I400-F463 HydrophobicContact CD1-CE2 4.01Å; I400-F463 HydrophobicContact CD1-CZ 3.9Å; I400-F463 HydrophobicContact CG1-CE1 4.37Å; I400-F463 HydrophobicContact CG1-CZ 4.35Å; I400-F463 HydrophobicContact CG2-CD1 4.16Å; I400-F463 HydrophobicContact CG2-CE1 4.31Å; I400-V511 HydrophobicContact CG1-CG1 4.5Å; I400-I512 HydrophobicContact CD1-CB 4.4Å; I400-I512 HydrophobicContact CD1-CD1 3.46Å; I400-I512 VanDerWaalsContact CD1-CD1 3.46Å; I400-I512 HydrophobicContact CD1-CG1 3.39Å; I400-I512 HydrophobicContact CD1-CG2 4.46Å; I400-I512 HydrophobicContact CG1-CG1 4.11Å
401	F	84	Confident	85.8	Confident	27 Å²	27	64.5 Å²	64.5	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-78.6	-11.8	-176.1	-59.2	-38.7	0	0	0	112.4	L395 V398 T399 F408 L409 I412 M416 I439	L395-F401 HydrophobicContact CB-CD2 4.45Å; L395-F401 HydrophobicContact CD2-CD2 4.26Å; L395-F401 HydrophobicContact CD2-CE2 3.77Å; V398-F401 HydrophobicContact CB-CD2 3.58Å; V398-F401 HydrophobicContact CB-CE2 3.91Å; V398-F401 HydrophobicContact CB-CG 4.39Å; V398-F401 HydrophobicContact CG1-CD2 4.14Å; V398-F401 HydrophobicContact CG1-CE2 4.11Å; V398-F401 HydrophobicContact CG2-CD2 3.96Å; V398-F401 HydrophobicContact CG2-CE2 3.98Å; V398-F401 PolarHBondContact O-N 3.42Å; T399-F401 VanDerWaalsContact C-N 3.35Å; T399-F401 PolarHBondContact O-N 3.43Å; F401-F408 HydrophobicContact CD1-CD1 4.28Å; F401-F408 HydrophobicContact CD1-CE1 4.23Å; F401-F408 HydrophobicContact CE1-CD1 4.31Å; F401-F408 AromaticContact CE1-CE1 3.91Å; F401-F408 HydrophobicContact CE1-CE1 3.91Å; F401-L409 HydrophobicContact CD1-CD1 4.01Å; F401-L409 HydrophobicContact CD2-CD1 3.89Å; F401-L409 HydrophobicContact CE1-CD1 3.91Å; F401-L409 HydrophobicContact CE2-CD1 3.78Å; F401-L409 HydrophobicContact CG-CD1 4.05Å; F401-L409 HydrophobicContact CZ-CD1 3.8Å; F401-I412 HydrophobicContact CE1-CD1 3.55Å; F401-I412 HydrophobicContact CZ-CD1 3.87Å; F401-M416 HydrophobicContact CE2-CE 4.33Å; F401-M416 HydrophobicContact CZ-CE 3.66Å; F401-I439 HydrophobicContact CE2-CD1 3.95Å; F401-I439 HydrophobicContact CZ-CD1 3.61Å
402	H	83.6	Confident	86.3	Confident	127 Å²	127	62.8 Å²	62.8	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-80	-32.5	170.5	-67.2	-49.3	0	0	0	113.3	K396 T399 I400	K396-H402 PolarHBondContact O-CE1 3.46Å; K396-H402 PolarHBondContact O-NE2 3.21Å; T399-H402 PolarHBondContact O-N 2.87Å; I400-H402 VanDerWaalsContact C-N 3.25Å; I400-H402 PolarHBondContact O-N 2.87Å
403	E	84.1	Confident	86.6	Confident	98 Å²	98	60.2 Å²	60.2	46%	0.458	29%	0.289	S	S	.	.	H	α-helix	trans	-87.3	-16.5	179.2	-68	-169.1	-157.8	0	0	112.4	I400 V511 K514 H515	I400-E403 PolarHBondContact O-N 2.84Å; E403-V511 HydrophobicContact CB-CG1 3.76Å; E403-V511 HydrophobicContact CB-CG2 3.94Å; E403-K514 IonicContact OE2-NZ 4Å; E403-H515 IonicContact OE1-NE2 2.73Å
404	C	87.4	Confident	87	Confident	13 Å²	13	55.7 Å²	55.7	9%	0.088	27%	0.268	C	S	.	.	S	Bend	trans	-96.5	157.2	179.2	-59.1	0	0	0	0	112.3	I400 F408 A508	I400-C404 PolarHBondContact O-N 3.32Å; I400-C404 PolarHBondContact O-SG 2.87Å; C404-F408 HydrophobicContact CB-CB 4.4Å; C404-F408 HydrophobicContact CB-CD1 3.9Å; C404-F408 HydrophobicContact CB-CG 4.49Å; C404-A508 HydrophobicContact CB-CB 4.31Å
405	R	89.2	Confident	87.4	Confident	165 Å²	165	57.7 Å²	57.7	62%	0.623	27%	0.274	S	S	*	.			trans	-65.7	147.4	171	-68.5	-179.9	177.6	177	1.4	112	E407 F408 D507	R405-E407 VanDerWaalsContact CB-OE2 3.3Å; R405-E407 WeakPolarHBondContact CB-OE2 3.46Å; R405-E407 PolarHBondContact O-N 3.42Å; R405-F408 WeakPolarHBondContact O-CB 3.48Å; R405-F408 PolarHBondContact O-N 3.01Å; R405-F408 VanDerWaalsContact O-N 3.14Å; R405-D507 WeakPolarHBondContact CG-OD2 3.43Å
406	P	88.5	Confident	87.6	Confident	86 Å²	86	58 Å²	58	56%	0.558	28%	0.276	S	S	*	.	H	α-helix	trans	-55.4	-35	179.7	-25.4	34.5	0	0	0	113.5	F408 L409 H410	P406-F408 PolarHBondContact O-N 3.46Å; P406-L409 WeakPolarHBondContact O-CB 3.28Å; P406-L409 PolarHBondContact O-N 2.91Å; P406-H410 PolarHBondContact O-CD2 3.35Å; P406-H410 VanDerWaalsContact O-CD2 3.29Å; P406-H410 PolarHBondContact O-N 3.11Å; P406-H410 VanDerWaalsContact O-N 3.13Å
407	E	90.1	Very high	87.9	Confident	104 Å²	104	59.2 Å²	59.2	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-34.5	-179.2	-64	76.9	-169.9	0	0	112.4	R405 L409 H410 D411	R405-E407 VanDerWaalsContact CB-OE2 3.3Å; R405-E407 WeakPolarHBondContact CB-OE2 3.46Å; R405-E407 PolarHBondContact O-N 3.42Å; E407-L409 VanDerWaalsContact C-N 3.32Å; E407-L409 PolarHBondContact O-N 2.96Å; E407-H410 WeakPolarHBondContact O-CB 3.35Å; E407-H410 PolarHBondContact O-N 2.8Å; E407-D411 PolarHBondContact O-N 3.36Å; E407-D411 VanDerWaalsContact O-N 3.14Å
408	F	92	Very high	88	Confident	1 Å²	1	55.4 Å²	55.4	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174.7	172.7	-115.6	0	0	0	111.3	F401 C404 R405 P406 H410 D411 I412 I498 A501 L502 H505 A508 I512	F401-F408 HydrophobicContact CD1-CD1 4.28Å; F401-F408 HydrophobicContact CD1-CE1 4.23Å; F401-F408 HydrophobicContact CE1-CD1 4.31Å; F401-F408 AromaticContact CE1-CE1 3.91Å; F401-F408 HydrophobicContact CE1-CE1 3.91Å; C404-F408 HydrophobicContact CB-CB 4.4Å; C404-F408 HydrophobicContact CB-CD1 3.9Å; C404-F408 HydrophobicContact CB-CG 4.49Å; R405-F408 WeakPolarHBondContact O-CB 3.48Å; R405-F408 PolarHBondContact O-N 3.01Å; R405-F408 VanDerWaalsContact O-N 3.14Å; P406-F408 PolarHBondContact O-N 3.46Å; F408-H410 VanDerWaalsContact C-N 3.35Å; F408-D411 PolarHBondContact O-N 3.14Å; F408-I412 HydrophobicContact CD1-CD1 4.26Å; F408-I412 HydrophobicContact CE1-CD1 3.75Å; F408-I412 HydrophobicContact CE2-CD1 4.4Å; F408-I412 HydrophobicContact CE2-CG2 4.07Å; F408-I412 HydrophobicContact CZ-CD1 3.83Å; F408-I412 HydrophobicContact CZ-CG2 4.41Å; F408-I412 WeakPolarHBondContact O-CG1 3.28Å; F408-I412 PolarHBondContact O-N 3.22Å; F408-I498 HydrophobicContact CE2-CD1 4.13Å; F408-I498 HydrophobicContact CZ-CD1 3.76Å; F408-A501 HydrophobicContact CD2-CB 4.46Å; F408-A501 HydrophobicContact CE2-CB 4.06Å; F408-L502 HydrophobicContact CE2-CD2 3.9Å; F408-L502 HydrophobicContact CZ-CD2 4.09Å; F408-H505 HydrophobicContact CB-CB 4.3Å; F408-H505 HydrophobicContact CD2-CB 3.97Å; F408-A508 HydrophobicContact CB-CB 4.4Å; F408-A508 HydrophobicContact CD1-CB 3.9Å; F408-A508 HydrophobicContact CD2-CB 3.76Å; F408-A508 HydrophobicContact CE1-CB 4.04Å; F408-A508 HydrophobicContact CE2-CB 3.92Å; F408-A508 HydrophobicContact CG-CB 3.74Å; F408-A508 HydrophobicContact CZ-CB 4.05Å; F408-I512 HydrophobicContact CZ-CD1 4.3Å
409	L	91.3	Very high	88.2	Confident	26 Å²	26	58.6 Å²	58.6	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-38.6	177.8	-177	60.5	0	0	0	111.5	L388 L395 F401 P406 E407 D411 I412 V413 M416	L388-L409 HydrophobicContact CD2-CD2 3.66Å; L388-L409 HydrophobicContact CD2-CG 3.66Å; L395-L409 HydrophobicContact CB-CD2 4.26Å; L395-L409 HydrophobicContact CD1-CD1 4.23Å; L395-L409 HydrophobicContact CD1-CD2 4.29Å; L395-L409 HydrophobicContact CD2-CD1 4.19Å; F401-L409 HydrophobicContact CD1-CD1 4.01Å; F401-L409 HydrophobicContact CD2-CD1 3.89Å; F401-L409 HydrophobicContact CE1-CD1 3.91Å; F401-L409 HydrophobicContact CE2-CD1 3.78Å; F401-L409 HydrophobicContact CG-CD1 4.05Å; F401-L409 HydrophobicContact CZ-CD1 3.8Å; P406-L409 WeakPolarHBondContact O-CB 3.28Å; P406-L409 PolarHBondContact O-N 2.91Å; E407-L409 VanDerWaalsContact C-N 3.32Å; E407-L409 PolarHBondContact O-N 2.96Å; L409-D411 VanDerWaalsContact C-N 3.26Å; L409-D411 PolarHBondContact O-N 3.1Å; L409-I412 HydrophobicContact CD1-CD1 4.42Å; L409-I412 HydrophobicContact CD1-CG1 4.34Å; L409-I412 PolarHBondContact O-N 2.62Å; L409-V413 WeakPolarHBondContact O-CB 3.5Å; L409-V413 PolarHBondContact O-N 3.46Å; L409-M416 HydrophobicContact CD1-CE 4.49Å
410	H	91	Very high	88.7	Confident	80 Å²	80	56.2 Å²	56.2	37%	0.37	27%	0.268	S	S	.	.	H	α-helix	trans	-58.9	-35.7	175	-82	-98.7	0	0	0	112.7	T384 L388 P406 E407 F408	T384-H410 HydrophobicContact CG2-CB 3.95Å; T384-H410 VanDerWaalsContact CG2-ND1 3.29Å; T384-H410 WeakPolarHBondContact CG2-ND1 3.36Å; T384-H410 WeakPolarHBondContact CG2-O 3.4Å; L388-H410 WeakPolarHBondContact CD1-CE1 3.42Å; L388-H410 WeakPolarHBondContact CD1-NE2 3.25Å; P406-H410 PolarHBondContact O-CD2 3.35Å; P406-H410 VanDerWaalsContact O-CD2 3.29Å; P406-H410 PolarHBondContact O-N 3.11Å; P406-H410 VanDerWaalsContact O-N 3.13Å; E407-H410 WeakPolarHBondContact O-CB 3.35Å; E407-H410 PolarHBondContact O-N 2.8Å; F408-H410 VanDerWaalsContact C-N 3.35Å
411	D	90.6	Very high	89.2	Confident	68 Å²	68	57.4 Å²	57.4	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-80.6	-19.1	-176.9	-76.7	-10.9	0	0	0	114.6	E407 F408 L409 K415 H505	E407-D411 PolarHBondContact O-N 3.36Å; E407-D411 VanDerWaalsContact O-N 3.14Å; F408-D411 PolarHBondContact O-N 3.14Å; L409-D411 VanDerWaalsContact C-N 3.26Å; L409-D411 PolarHBondContact O-N 3.1Å; D411-K415 VanDerWaalsContact O-CE 3.22Å; D411-K415 WeakPolarHBondContact O-CE 3.45Å; D411-K415 PolarHBondContact O-NZ 2.83Å; D411-K415 VanDerWaalsContact O-NZ 3.08Å; D411-H505 IonicContact OD2-CD2 3.98Å; D411-H505 IonicContact OD2-CE1 3.53Å; D411-H505 IonicContact OD2-NE2 3.93Å; D411-H505 PolarHBondContact OD2-NE2 3.17Å
412	I	92.1	Very high	89.6	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-109.1	-23.5	-178	64.1	175	0	0	0	113.8	F401 F408 L409 L414 K415 M416 L493 A501	F401-I412 HydrophobicContact CE1-CD1 3.55Å; F401-I412 HydrophobicContact CZ-CD1 3.87Å; F408-I412 HydrophobicContact CD1-CD1 4.26Å; F408-I412 HydrophobicContact CE1-CD1 3.75Å; F408-I412 HydrophobicContact CE2-CD1 4.4Å; F408-I412 HydrophobicContact CE2-CG2 4.07Å; F408-I412 HydrophobicContact CZ-CD1 3.83Å; F408-I412 HydrophobicContact CZ-CG2 4.41Å; F408-I412 WeakPolarHBondContact O-CG1 3.28Å; F408-I412 PolarHBondContact O-N 3.22Å; L409-I412 HydrophobicContact CD1-CD1 4.42Å; L409-I412 HydrophobicContact CD1-CG1 4.34Å; L409-I412 PolarHBondContact O-N 2.62Å; I412-L414 VanDerWaalsContact C-N 3.31Å; I412-L414 PolarHBondContact O-N 3.13Å; I412-K415 WeakPolarHBondContact O-CA 3.43Å; I412-K415 WeakPolarHBondContact O-CB 3.2Å; I412-K415 PolarHBondContact O-N 3.06Å; I412-M416 HydrophobicContact CB-CE 4.28Å; I412-M416 HydrophobicContact CD1-CE 3.38Å; I412-M416 HydrophobicContact CG1-CE 3.62Å; I412-M416 PolarHBondContact O-N 2.64Å; I412-L493 HydrophobicContact CB-CD1 4.47Å; I412-L493 HydrophobicContact CB-CD2 4.1Å; I412-L493 HydrophobicContact CD1-CD2 4.41Å; I412-L493 HydrophobicContact CG2-CD2 4.15Å; I412-A501 HydrophobicContact CG2-CB 3.4Å; I412-A501 VanDerWaalsContact CG2-CB 3.4Å
413	V	90.2	Very high	90.1	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.055	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-58.9	-38.8	-171.6	68.6	0	0	0	0	113.2	T384 A387 L388 L395 L409 K415 M416	T384-V413 HydrophobicContact CG2-CG1 3.73Å; A387-V413 HydrophobicContact CB-CG1 4.35Å; A387-V413 HydrophobicContact CB-CG2 3.79Å; L388-V413 HydrophobicContact CD2-CB 4.18Å; L388-V413 HydrophobicContact CD2-CG1 4.21Å; L388-V413 HydrophobicContact CD2-CG2 4.05Å; L388-V413 HydrophobicContact CG-CG1 4.26Å; L388-V413 HydrophobicContact CG-CG2 4.49Å; L395-V413 HydrophobicContact CD1-CG2 4.08Å; L409-V413 WeakPolarHBondContact O-CB 3.5Å; L409-V413 PolarHBondContact O-N 3.46Å; V413-K415 VanDerWaalsContact C-N 3.27Å; V413-K415 PolarHBondContact O-N 3.41Å; V413-M416 PolarHBondContact O-N 2.87Å
414	L	90.1	Very high	90.4	Very high	26 Å²	26	50.3 Å²	50.3	14%	0.136	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-74.1	-18.2	176.8	-64.5	-175	0	0	0	113.4	I372 N373 D380 K383 T384 A387 I412	I372-L414 HydrophobicContact CG2-CD2 3.62Å; N373-L414 PolarHBondContact ND2-O 3.41Å; N373-L414 PolarHBondContact OD1-O 3.19Å; D380-L414 HydrophobicContact CB-CD1 4.32Å; K383-L414 HydrophobicContact CB-CD1 4.03Å; K383-L414 HydrophobicContact CB-CD2 3.83Å; T384-L414 VanDerWaalsContact OG1-CD1 3.23Å; T384-L414 WeakPolarHBondContact OG1-CD1 3.2Å; A387-L414 HydrophobicContact CB-CD2 4.11Å; I412-L414 VanDerWaalsContact C-N 3.31Å; I412-L414 PolarHBondContact O-N 3.13Å
415	K	91	Very high	90.6	Very high	73 Å²	73	51.1 Å²	51.1	32%	0.317	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-91.2	-10	179.5	-54.9	179	-172	155	0	112.3	D411 I412 V413 L493 D497	D411-K415 VanDerWaalsContact O-CE 3.22Å; D411-K415 WeakPolarHBondContact O-CE 3.45Å; D411-K415 PolarHBondContact O-NZ 2.83Å; D411-K415 VanDerWaalsContact O-NZ 3.08Å; I412-K415 WeakPolarHBondContact O-CA 3.43Å; I412-K415 WeakPolarHBondContact O-CB 3.2Å; I412-K415 PolarHBondContact O-N 3.06Å; V413-K415 VanDerWaalsContact C-N 3.27Å; V413-K415 PolarHBondContact O-N 3.41Å; K415-L493 HydrophobicContact CB-CD1 3.69Å; K415-D497 HydrophobicContact CB-CB 4.12Å; K415-D497 HydrophobicContact CD-CB 3.69Å; K415-D497 HydrophobicContact CG-CB 4.47Å
416	M	89.7	Confident	90.8	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.059	25%	0.248	C	C	.	.			trans	-76.5	135.2	174.5	-68.7	-178.3	-172.7	0	0	110.5	L395 F401 L409 I412 V413 I439 F491 V492 L493	L395-M416 HydrophobicContact CD2-SD 4.43Å; F401-M416 HydrophobicContact CE2-CE 4.33Å; F401-M416 HydrophobicContact CZ-CE 3.66Å; L409-M416 HydrophobicContact CD1-CE 4.49Å; I412-M416 HydrophobicContact CB-CE 4.28Å; I412-M416 HydrophobicContact CD1-CE 3.38Å; I412-M416 HydrophobicContact CG1-CE 3.62Å; I412-M416 PolarHBondContact O-N 2.64Å; V413-M416 PolarHBondContact O-N 2.87Å; M416-I439 HydrophobicContact CE-CD1 3.52Å; M416-I439 HydrophobicContact SD-CD1 4.02Å; M416-F491 HydrophobicContact CB-CB 4.25Å; M416-F491 HydrophobicContact CB-CD1 4.35Å; M416-F491 HydrophobicContact SD-CB 4.17Å; M416-F491 HydrophobicContact SD-CG 4.5Å; M416-V492 WeakPolarHBondContact CA-O 3.38Å; M416-L493 HydrophobicContact CG-CD1 4.37Å
417	R	88.3	Confident	91.1	Very high	135 Å²	135	43.2 Å²	43.2	51%	0.509	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.4	174.6	-63.1	-177.9	-62.6	175.7	2.5	110.4	F491 V492	R417-F491 WeakPolarHBondContact O-CA 3.4Å; R417-V492 PolarHBondContact N-O 3.17Å; R417-V492 PolarHBondContact O-N 3.3Å
418	P	88.3	Confident	91.2	Very high	45 Å²	45	38.4 Å²	38.4	29%	0.292	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140	172.7	29	-33.2	0	0	0	110.3	Q370 L490 F491	Q370-P418 HydrophobicContact CB-CG 4.36Å; Q370-P418 HydrophobicContact CG-CG 4.48Å; P418-L490 CarbonylContact C-O 3.52Å; P418-L490 WeakPolarHBondContact CA-O 3.46Å; P418-F491 HydrophobicContact CB-CD1 4.39Å; P418-F491 HydrophobicContact CB-CE1 4.22Å
419	L	89	Confident	91.3	Very high	66 Å²	66	45.2 Å²	45.2	35%	0.346	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	137.3	177.8	-175	59.9	0	0	0	110.2	F421 F438 L490 V492	L419-F421 HydrophobicContact CB-CE2 4.4Å; L419-F421 HydrophobicContact CD2-CE1 4.41Å; L419-F421 HydrophobicContact CD2-CE2 3.41Å; L419-F421 VanDerWaalsContact CD2-CE2 3.41Å; L419-F421 HydrophobicContact CD2-CZ 3.36Å; L419-F421 HydrophobicContact CG-CD2 4.31Å; L419-F421 HydrophobicContact CG-CE2 3.61Å; L419-F421 HydrophobicContact CG-CZ 3.93Å; L419-F438 HydrophobicContact CD2-CE1 4.5Å; L419-L490 PolarHBondContact N-O 2.81Å; L419-L490 PolarHBondContact O-N 2.92Å; L419-V492 HydrophobicContact CB-CG2 3.53Å; L419-V492 HydrophobicContact CD2-CG2 3.62Å; L419-V492 HydrophobicContact CG-CG2 4.23Å
420	V	91.1	Very high	91.2	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.7	-178.1	175.6	0	0	0	0	110.1	W356 Y359 C365 A488 E489	W356-V420 PolarHBondContact NE1-O 3.06Å; Y359-V420 HydrophobicContact CD1-CG1 3.56Å; Y359-V420 HydrophobicContact CE1-CG1 3.77Å; C365-V420 HydrophobicContact CB-CG2 4.4Å; V420-A488 WeakPolarHBondContact CA-O 3.42Å; V420-E489 HydrophobicContact CG2-CG 4.49Å
421	F	92	Very high	91.2	Very high	33 Å²	33	46 Å²	46	15%	0.145	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.8	173.5	-68.6	-85.6	0	0	0	111.5	L419 D425 I427 A484 Y487 A488 L490	L419-F421 HydrophobicContact CB-CE2 4.4Å; L419-F421 HydrophobicContact CD2-CE1 4.41Å; L419-F421 HydrophobicContact CD2-CE2 3.41Å; L419-F421 VanDerWaalsContact CD2-CE2 3.41Å; L419-F421 HydrophobicContact CD2-CZ 3.36Å; L419-F421 HydrophobicContact CG-CD2 4.31Å; L419-F421 HydrophobicContact CG-CE2 3.61Å; L419-F421 HydrophobicContact CG-CZ 3.93Å; F421-D425 HydrophobicContact CB-CB 4.36Å; F421-D425 HydrophobicContact CD1-CB 4.14Å; F421-I427 HydrophobicContact CB-CG1 4.43Å; F421-I427 HydrophobicContact CD1-CG1 3.74Å; F421-I427 HydrophobicContact CD2-CD1 4.27Å; F421-I427 HydrophobicContact CD2-CG1 3.91Å; F421-I427 HydrophobicContact CE1-CB 4.34Å; F421-I427 HydrophobicContact CE1-CG1 3.85Å; F421-I427 HydrophobicContact CE1-CG2 4.3Å; F421-I427 HydrophobicContact CE2-CG1 4.04Å; F421-I427 HydrophobicContact CE2-CG2 4.03Å; F421-I427 HydrophobicContact CG-CD1 4.32Å; F421-I427 HydrophobicContact CG-CG1 3.75Å; F421-I427 HydrophobicContact CZ-CB 4.31Å; F421-I427 HydrophobicContact CZ-CG1 3.98Å; F421-I427 HydrophobicContact CZ-CG2 3.78Å; F421-A484 HydrophobicContact CB-CB 4.3Å; F421-Y487 WeakPolarHBondContact O-CA 3.45Å; F421-A488 HydrophobicContact CB-CB 4.49Å; F421-A488 PolarHBondContact N-O 2.88Å; F421-A488 PolarHBondContact O-N 3.31Å; F421-A488 VanDerWaalsContact O-N 3.11Å; F421-L490 HydrophobicContact CD2-CD1 3.69Å; F421-L490 HydrophobicContact CD2-CG 4.08Å; F421-L490 HydrophobicContact CE2-CD1 3.55Å; F421-L490 HydrophobicContact CE2-CG 4.22Å
422	T	92.5	Very high	91.2	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.049	24%	0.242	C	C	.	.			trans	-92.7	159.3	175.4	62.6	0	0	0	0	111.7	W356 G424 D425 Y487	W356-T422 HydrophobicContact CB-CG2 3.7Å; W356-T422 HydrophobicContact CG-CG2 4.19Å; T422-G424 PolarHBondContact O-N 3.22Å; T422-D425 WeakPolarHBondContact CA-OD2 3.33Å; T422-D425 WeakPolarHBondContact CB-OD2 3.25Å; T422-D425 PolarHBondContact N-OD2 2.95Å; T422-D425 VanDerWaalsContact O-CB 3.3Å; T422-D425 WeakPolarHBondContact O-CB 3.44Å; T422-D425 PolarHBondContact O-N 3.09Å; T422-D425 VanDerWaalsContact O-N 3.08Å; T422-D425 PolarHBondContact OG1-OD1 3.38Å; T422-D425 PolarHBondContact OG1-OD2 3.06Å; T422-Y487 HydrophobicContact CG2-CD1 4.39Å; T422-Y487 HydrophobicContact CG2-CE1 4.13Å
423	P	93.1	Very high	91.3	Very high	48 Å²	48	51.3 Å²	51.3	31%	0.312	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	131	176.6	-22.7	30.1	0	0	0	112.3	D425 Y487	P423-D425 VanDerWaalsContact C-N 3.33Å; P423-Y487 HydrophobicContact CG-CD2 4.29Å; P423-Y487 HydrophobicContact CG-CE2 4.32Å
424	G	90.9	Very high	91.5	Very high	46 Å²	46	50.9 Å²	50.9	47%	0.474	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-8.2	-179	0	0	0	0	0	114.7	T422 A484	T422-G424 PolarHBondContact O-N 3.22Å; G424-A484 PolarHBondContact N-O 3.35Å
425	D	91.7	Very high	91.6	Very high	31 Å²	31	57.3 Å²	57.3	17%	0.166	29%	0.285	C	S	.	.			trans	-67.6	135.5	177.3	-71.1	-18.9	0	0	0	111.4	R352 F421 T422 P423 R483 A484	R352-D425 IonicContact CZ-OD1 3Å; R352-D425 IonicContact NH2-OD1 2.79Å; R352-D425 PolarHBondContact NH2-OD1 3.25Å; F421-D425 HydrophobicContact CB-CB 4.36Å; F421-D425 HydrophobicContact CD1-CB 4.14Å; T422-D425 WeakPolarHBondContact CA-OD2 3.33Å; T422-D425 WeakPolarHBondContact CB-OD2 3.25Å; T422-D425 PolarHBondContact N-OD2 2.95Å; T422-D425 VanDerWaalsContact O-CB 3.3Å; T422-D425 WeakPolarHBondContact O-CB 3.44Å; T422-D425 PolarHBondContact O-N 3.09Å; T422-D425 VanDerWaalsContact O-N 3.08Å; T422-D425 PolarHBondContact OG1-OD1 3.38Å; T422-D425 PolarHBondContact OG1-OD2 3.06Å; P423-D425 VanDerWaalsContact C-N 3.33Å; D425-R483 CarbonylContact O-C 3.59Å; D425-R483 WeakPolarHBondContact O-CA 3.23Å; D425-A484 PolarHBondContact O-N 3.35Å
426	L	93.1	Very high	91.8	Very high	68 Å²	68	56.6 Å²	56.6	36%	0.356	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.8	175.9	-168.9	66.5	0	0	0	108.8	R429 D481 V482 R483	L426-R429 HydrophobicContact CD2-CB 4.19Å; L426-R429 HydrophobicContact CD2-CG 3.48Å; L426-R429 VanDerWaalsContact CD2-CG 3.48Å; L426-R429 HydrophobicContact CG-CG 3.99Å; L426-D481 HydrophobicContact CD1-CB 3.97Å; L426-V482 CarbonylContact C-O 3.56Å; L426-V482 WeakPolarHBondContact CD1-O 3.48Å; L426-R483 HydrophobicContact CD1-CB 4.26Å
427	I	94.4	Very high	92	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.087	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-41.6	-174.5	-61	154.7	0	0	0	111.2	F421 F438 L445 F464 V482 A484 L490	F421-I427 HydrophobicContact CB-CG1 4.43Å; F421-I427 HydrophobicContact CD1-CG1 3.74Å; F421-I427 HydrophobicContact CD2-CD1 4.27Å; F421-I427 HydrophobicContact CD2-CG1 3.91Å; F421-I427 HydrophobicContact CE1-CB 4.34Å; F421-I427 HydrophobicContact CE1-CG1 3.85Å; F421-I427 HydrophobicContact CE1-CG2 4.3Å; F421-I427 HydrophobicContact CE2-CG1 4.04Å; F421-I427 HydrophobicContact CE2-CG2 4.03Å; F421-I427 HydrophobicContact CG-CD1 4.32Å; F421-I427 HydrophobicContact CG-CG1 3.75Å; F421-I427 HydrophobicContact CZ-CB 4.31Å; F421-I427 HydrophobicContact CZ-CG1 3.98Å; F421-I427 HydrophobicContact CZ-CG2 3.78Å; I427-F438 HydrophobicContact CG2-CD1 4.46Å; I427-F438 HydrophobicContact CG2-CD2 4.4Å; I427-F438 HydrophobicContact CG2-CE1 4.23Å; I427-F438 HydrophobicContact CG2-CE2 4.11Å; I427-F438 HydrophobicContact CG2-CZ 4.04Å; I427-L445 HydrophobicContact CD1-CD1 3.74Å; I427-L445 HydrophobicContact CD1-CD2 3.42Å; I427-L445 VanDerWaalsContact CD1-CD2 3.42Å; I427-L445 HydrophobicContact CD1-CG 4.21Å; I427-F464 HydrophobicContact CG2-CE2 4.03Å; I427-F464 HydrophobicContact CG2-CZ 3.92Å; I427-V482 HydrophobicContact CD1-CG1 4.39Å; I427-V482 PolarHBondContact N-O 3.15Å; I427-A484 HydrophobicContact CD1-CB 4.28Å; I427-L490 HydrophobicContact CD1-CD1 4.01Å; I427-L490 HydrophobicContact CG2-CD1 4.16Å
428	C	93.5	Very high	92.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134	173.4	-69.7	0	0	0	0	108.2	R478 D481 V482	C428-R478 HydrophobicContact CB-CG 4.17Å; C428-D481 WeakPolarHBondContact O-CA 3.43Å; C428-V482 HydrophobicContact CB-CB 4.09Å; C428-V482 HydrophobicContact CB-CG2 4.07Å; C428-V482 PolarHBondContact N-O 2.9Å; C428-V482 PolarHBondContact O-N 3.25Å
429	R	92.7	Very high	92.5	Very high	143 Å²	143	48.7 Å²	48.7	54%	0.54	25%	0.248	S	C	.	.			trans	-104.1	135.4	164.2	-38	-167.5	174.2	167.2	-7.1	110.4	L426 G431 E432 R478 D481	L426-R429 HydrophobicContact CD2-CB 4.19Å; L426-R429 HydrophobicContact CD2-CG 3.48Å; L426-R429 VanDerWaalsContact CD2-CG 3.48Å; L426-R429 HydrophobicContact CG-CG 3.99Å; R429-G431 PolarHBondContact O-N 3.39Å; R429-E432 HydrophobicContact CB-CG 3.85Å; R429-E432 WeakPolarHBondContact CD-OE1 3.38Å; R429-E432 VanDerWaalsContact CG-CD 3.44Å; R429-E432 HydrophobicContact CG-CG 4.41Å; R429-E432 WeakPolarHBondContact CG-OE1 3.48Å; R429-E432 WeakPolarHBondContact CG-OE2 3.41Å; R429-E432 PolarHBondContact N-OE2 3.04Å; R429-E432 IonicContact NE-OE1 4Å; R429-E432 VanDerWaalsContact O-CB 3.32Å; R429-E432 WeakPolarHBondContact O-CB 3.47Å; R429-E432 PolarHBondContact O-N 3.25Å; R429-E432 VanDerWaalsContact O-N 3.11Å; R429-R478 VanDerWaalsContact O-CB 3.25Å; R429-R478 WeakPolarHBondContact O-CB 3.43Å; R429-D481 VanDerWaalsContact CA-OD1 3.24Å; R429-D481 WeakPolarHBondContact CA-OD1 3.43Å
430	K	90.2	Very high	92.7	Very high	87 Å²	87	45.6 Å²	45.6	38%	0.378	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	133.4	176.8	-177.2	179.8	173.1	-171.6	0	110	E432 D450 D481	K430-E432 VanDerWaalsContact C-N 3.29Å; K430-E432 PolarHBondContact O-N 3.29Å; K430-D450 WeakPolarHBondContact CD-OD1 3.44Å; K430-D450 IonicContact NZ-OD1 3.13Å; K430-D450 PolarHBondContact NZ-OD1 3.41Å; K430-D450 IonicContact NZ-OD2 3.22Å; K430-D450 PolarHBondContact NZ-OD2 2.99Å; K430-D481 PolarHBondContact N-OD1 3.07Å
431	G	89.9	Confident	92.7	Very high	37 Å²	37	45.9 Å²	45.9	38%	0.381	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-10.3	-179.7	0	0	0	0	0	115.4	R429 K477 R478	R429-G431 PolarHBondContact O-N 3.39Å; G431-K477 WeakPolarHBondContact O-CD 3.47Å; G431-R478 PolarHBondContact N-O 2.95Å
432	E	92.5	Very high	92.6	Very high	82 Å²	82	47.8 Å²	47.8	38%	0.383	25%	0.247	S	C	.	.	S	Bend	trans	-67	154.6	170	-73.2	179.1	164	0	0	111.4	R429 K430 A434 K477 R478	R429-E432 HydrophobicContact CB-CG 3.85Å; R429-E432 WeakPolarHBondContact CD-OE1 3.38Å; R429-E432 VanDerWaalsContact CG-CD 3.44Å; R429-E432 HydrophobicContact CG-CG 4.41Å; R429-E432 WeakPolarHBondContact CG-OE1 3.48Å; R429-E432 WeakPolarHBondContact CG-OE2 3.41Å; R429-E432 PolarHBondContact N-OE2 3.04Å; R429-E432 IonicContact NE-OE1 4Å; R429-E432 VanDerWaalsContact O-CB 3.32Å; R429-E432 WeakPolarHBondContact O-CB 3.47Å; R429-E432 PolarHBondContact O-N 3.25Å; R429-E432 VanDerWaalsContact O-N 3.11Å; K430-E432 VanDerWaalsContact C-N 3.29Å; K430-E432 PolarHBondContact O-N 3.29Å; E432-A434 PolarHBondContact O-N 3.09Å; E432-K477 CarbonylContact O-C 3.39Å; E432-K477 WeakPolarHBondContact O-CA 3.28Å; E432-R478 HydrophobicContact CB-CG 4.19Å; E432-R478 PolarHBondContact O-N 2.93Å
433	I	93.7	Very high	92.6	Very high	98 Å²	98	48 Å²	48	50%	0.503	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-68.5	129.7	178.6	-61.9	169.1	0	0	0	109.5	R435 N476	I433-R435 HydrophobicContact CG2-CG 4.2Å; I433-R435 PolarHBondContact O-N 3.23Å; I433-N476 WeakPolarHBondContact CA-O 3.14Å
434	A	93.3	Very high	92.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.			trans	-79.7	105.5	179.3	0	0	0	0	0	111.1	E432 G468 V469 N476	E432-A434 PolarHBondContact O-N 3.09Å; A434-G468 VanDerWaalsContact CB-C 3.48Å; A434-V469 HydrophobicContact CB-CG2 4.09Å; A434-N476 PolarHBondContact N-O 2.81Å; A434-N476 PolarHBondContact O-OD1 3.01Å
435	R	93.7	Very high	93.1	Very high	162 Å²	162	46.6 Å²	46.6	61%	0.611	23%	0.232	S	C	*	.			trans	-103.7	-27	-176.8	-65	-177	-178.7	-170.9	0.1	114.2	I433 R495	I433-R435 HydrophobicContact CG2-CG 4.2Å; I433-R435 PolarHBondContact O-N 3.23Å; R435-R495 WeakPolarHBondContact O-CB 3.28Å; R435-R495 PolarHBondContact O-N 2.89Å
436	E	94.6	Very high	93.2	Very high	57 Å²	57	46 Å²	46	27%	0.266	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155	-177.6	-53.9	102.6	172.5	0	0	112.5	F438 R478 V492 L493	E436-F438 HydrophobicContact CB-CZ 4.35Å; E436-R478 VanDerWaalsContact O-CZ 3.29Å; E436-R478 PolarHBondContact O-NH1 3.34Å; E436-R478 PolarHBondContact O-NH2 3.39Å; E436-R478 IonicContact OE2-NH2 3.94Å; E436-V492 HydrophobicContact CB-CG1 3.49Å; E436-V492 VanDerWaalsContact CB-CG1 3.49Å; E436-V492 HydrophobicContact CG-CG1 3.52Å; E436-L493 CarbonylContact C-O 3.57Å; E436-L493 VanDerWaalsContact CA-O 3.22Å; E436-L493 WeakPolarHBondContact CA-O 3.21Å; E436-L493 WeakPolarHBondContact CB-O 3.38Å
437	I	94	Very high	93.2	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.1	164.2	-61.6	-174.5	0	0	0	108.2	F463 E466 V469 L493 I498	I437-F463 HydrophobicContact CG2-CD2 4.5Å; I437-E466 HydrophobicContact CD1-CB 4.26Å; I437-V469 HydrophobicContact CD1-CB 4.27Å; I437-V469 HydrophobicContact CD1-CG1 4.11Å; I437-V469 HydrophobicContact CG1-CB 3.96Å; I437-V469 HydrophobicContact CG1-CG1 4.05Å; I437-V469 HydrophobicContact CG1-CG2 3.84Å; I437-L493 PolarHBondContact N-O 3.16Å; I437-L493 PolarHBondContact O-N 2.67Å; I437-I498 HydrophobicContact CD1-CG1 3.99Å; I437-I498 HydrophobicContact CD1-CG2 4.27Å
438	F	94.5	Very high	93	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.8	179.2	-59.7	-81	0	0	0	110.7	L419 I427 E436 F463 F464 R478 L490 F491 V492	L419-F438 HydrophobicContact CD2-CE1 4.5Å; I427-F438 HydrophobicContact CG2-CD1 4.46Å; I427-F438 HydrophobicContact CG2-CD2 4.4Å; I427-F438 HydrophobicContact CG2-CE1 4.23Å; I427-F438 HydrophobicContact CG2-CE2 4.11Å; I427-F438 HydrophobicContact CG2-CZ 4.04Å; E436-F438 HydrophobicContact CB-CZ 4.35Å; F438-F463 CarbonylContact O-C 3.56Å; F438-F463 WeakPolarHBondContact O-CA 3.41Å; F438-F463 WeakPolarHBondContact O-CB 3.35Å; F438-F464 HydrophobicContact CB-CD1 3.93Å; F438-F464 HydrophobicContact CB-CD2 4.24Å; F438-F464 HydrophobicContact CB-CE1 3.43Å; F438-F464 VanDerWaalsContact CB-CE1 3.43Å; F438-F464 HydrophobicContact CB-CE2 3.8Å; F438-F464 HydrophobicContact CB-CG 4.3Å; F438-F464 HydrophobicContact CB-CZ 3.37Å; F438-F464 AromaticContact CD2-CD2 3.91Å; F438-F464 HydrophobicContact CD2-CD2 3.91Å; F438-F464 AromaticContact CD2-CE2 3.34Å; F438-F464 HydrophobicContact CD2-CE2 3.34Å; F438-F464 AromaticContact CD2-CZ 3.72Å; F438-F464 HydrophobicContact CD2-CZ 3.72Å; F438-F464 HydrophobicContact CE2-CE2 4.12Å; F438-F464 HydrophobicContact CG-CD2 4.49Å; F438-F464 HydrophobicContact CG-CE1 4.23Å; F438-F464 AromaticContact CG-CE2 3.79Å; F438-F464 HydrophobicContact CG-CE2 3.79Å; F438-F464 AromaticContact CG-CZ 3.65Å; F438-F464 HydrophobicContact CG-CZ 3.65Å; F438-F464 PolarHBondContact N-O 2.98Å; F438-F464 PolarHBondContact O-N 2.98Å; F438-R478 VanDerWaalsContact CE2-NH2 3.33Å; F438-L490 HydrophobicContact CB-CD1 4.28Å; F438-L490 HydrophobicContact CD1-CD1 3.97Å; F438-L490 HydrophobicContact CG-CD1 4.34Å; F438-F491 CarbonylContact C-O 3.4Å; F438-F491 WeakPolarHBondContact CA-O 3.49Å; F438-V492 HydrophobicContact CD1-CB 4.49Å; F438-V492 HydrophobicContact CD1-CG1 4.4Å; F438-V492 HydrophobicContact CD1-CG2 3.81Å; F438-V492 HydrophobicContact CE1-CB 4.46Å; F438-V492 HydrophobicContact CE1-CG1 4.03Å; F438-V492 HydrophobicContact CE1-CG2 3.76Å
439	I	92.6	Very high	92.5	Very high	9 Å²	9	44 Å²	44	5%	0.046	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.9	172.5	-59.1	168.2	0	0	0	107.3	V398 F401 M416 A441 F463 L490 F491	V398-I439 HydrophobicContact CG1-CG2 4Å; V398-I439 HydrophobicContact CG2-CG2 3.63Å; F401-I439 HydrophobicContact CE2-CD1 3.95Å; F401-I439 HydrophobicContact CZ-CD1 3.61Å; M416-I439 HydrophobicContact CE-CD1 3.52Å; M416-I439 HydrophobicContact SD-CD1 4.02Å; I439-A441 PolarHBondContact O-N 3.28Å; I439-F463 HydrophobicContact CG1-CB 4.01Å; I439-L490 CarbonylContact O-C 3.55Å; I439-L490 VanDerWaalsContact O-CA 3.24Å; I439-L490 WeakPolarHBondContact O-CA 3.46Å; I439-F491 HydrophobicContact CB-CB 4.25Å; I439-F491 PolarHBondContact N-O 2.82Å; I439-F491 PolarHBondContact O-N 3.39Å
440	I	93.1	Very high	91.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112.7	-176.9	-51.3	176.8	0	0	0	109	L445 M458 G461 D462 F464 L490	I440-L445 HydrophobicContact CD1-CB 4.41Å; I440-L445 HydrophobicContact CD1-CD1 3.61Å; I440-L445 HydrophobicContact CD1-CG 3.94Å; I440-L445 HydrophobicContact CG1-CD1 3.93Å; I440-M458 HydrophobicContact CD1-CB 3.56Å; I440-M458 HydrophobicContact CD1-CE 4.44Å; I440-G461 PolarHBondContact O-N 3.47Å; I440-D462 WeakPolarHBondContact CB-O 3.16Å; I440-D462 HydrophobicContact CD1-CB 4.09Å; I440-D462 WeakPolarHBondContact CG1-O 3.3Å; I440-D462 PolarHBondContact N-O 3.1Å; I440-F464 HydrophobicContact CD1-CD1 4.34Å; I440-F464 HydrophobicContact CD1-CE1 4.28Å; I440-F464 HydrophobicContact CG1-CD1 4.25Å; I440-F464 HydrophobicContact CG1-CE1 3.98Å; I440-L490 HydrophobicContact CB-CD2 4.05Å; I440-L490 HydrophobicContact CG1-CD2 3.83Å; I440-L490 HydrophobicContact CG2-CD2 4.01Å
441	A	90	Very high	91.2	Very high	17 Å²	17	41.8 Å²	41.8	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-47.8	175	0	0	0	0	0	111.5	T394 I439 A460 E489 F491	T394-A441 HydrophobicContact CG2-CB 3.69Å; I439-A441 PolarHBondContact O-N 3.28Å; A441-A460 WeakPolarHBondContact O-CB 3.49Å; A441-E489 WeakPolarHBondContact CA-O 3.5Å; A441-E489 HydrophobicContact CB-CB 4.24Å; A441-E489 VanDerWaalsContact CB-O 3.3Å; A441-E489 WeakPolarHBondContact CB-O 3.48Å; A441-E489 PolarHBondContact N-O 2.8Å; A441-F491 HydrophobicContact CB-CD2 4Å; A441-F491 HydrophobicContact CB-CE2 3.73Å
442	D	90.9	Very high	90.7	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.2	176.8	-169.3	25.4	0	0	0	110.6	K363 A488 E489	K363-D442 IonicContact NZ-OD2 2.7Å; D442-A488 WeakPolarHBondContact O-CA 3.3Å; D442-E489 HydrophobicContact CB-CB 4.1Å; D442-E489 HydrophobicContact CB-CG 4.33Å; D442-E489 PolarHBondContact N-O 3.09Å; D442-E489 VanDerWaalsContact N-O 3.13Å; D442-E489 PolarHBondContact O-N 2.77Å
443	G	93.3	Very high	90.4	Very high	14 Å²	14	46.5 Å²	46.5	14%	0.144	24%	0.244	C	C	.	.	S	Bend	trans	99	179.7	179.9	0	0	0	0	0	115.2
444	V	95.9	Very high	90	Very high	63 Å²	63	45.1 Å²	45.1	38%	0.382	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.8	-175.8	-177.8	0	0	0	0	109.6	M458 V485	V444-M458 WeakPolarHBondContact CA-O 3.26Å; V444-V485 HydrophobicContact CB-CB 4.49Å; V444-V485 HydrophobicContact CG1-CG2 4.26Å; V444-V485 WeakPolarHBondContact O-CB 3.47Å; V444-V485 PolarHBondContact O-N 2.93Å
445	L	96.8	Very high	89.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.2	178.4	-54.1	-174.6	0	0	0	110.8	I427 I440 K457 M458 F464 V482 R483 A484 A488 L490	I427-L445 HydrophobicContact CD1-CD1 3.74Å; I427-L445 HydrophobicContact CD1-CD2 3.42Å; I427-L445 VanDerWaalsContact CD1-CD2 3.42Å; I427-L445 HydrophobicContact CD1-CG 4.21Å; I440-L445 HydrophobicContact CD1-CB 4.41Å; I440-L445 HydrophobicContact CD1-CD1 3.61Å; I440-L445 HydrophobicContact CD1-CG 3.94Å; I440-L445 HydrophobicContact CG1-CD1 3.93Å; L445-K457 CarbonylContact O-C 3.56Å; L445-K457 VanDerWaalsContact O-CA 3.31Å; L445-K457 WeakPolarHBondContact O-CA 3.3Å; L445-M458 HydrophobicContact CB-CB 4.41Å; L445-M458 PolarHBondContact N-O 2.99Å; L445-M458 PolarHBondContact O-N 3.13Å; L445-F464 HydrophobicContact CD1-CD1 4.23Å; L445-F464 HydrophobicContact CD1-CE1 3.3Å; L445-F464 HydrophobicContact CD1-CZ 3.62Å; L445-V482 HydrophobicContact CB-CG1 4.13Å; L445-V482 HydrophobicContact CD1-CG1 4.06Å; L445-R483 CarbonylContact C-O 3.57Å; L445-R483 WeakPolarHBondContact CA-O 3.45Å; L445-A484 HydrophobicContact CD2-CB 3.88Å; L445-A488 HydrophobicContact CD2-CB 3.64Å; L445-L490 HydrophobicContact CD1-CD1 4.44Å; L445-L490 HydrophobicContact CD1-CD2 4.12Å
446	E	95	Very high	89.4	Confident	19 Å²	19	42.2 Å²	42.2	9%	0.089	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.5	174.2	-78.8	173.2	172.4	0	0	109.7	I448 V454 K457 V482 R483 V485	E446-I448 HydrophobicContact CB-CG1 4.45Å; E446-V454 HydrophobicContact CB-CG1 4.15Å; E446-V454 HydrophobicContact CB-CG2 4.48Å; E446-V454 HydrophobicContact CG-CG1 3.85Å; E446-V454 HydrophobicContact CG-CG2 4.3Å; E446-K457 HydrophobicContact CG-CD 4.36Å; E446-K457 HydrophobicContact CG-CG 4.06Å; E446-K457 WeakPolarHBondContact OE1-CE 3.49Å; E446-K457 IonicContact OE1-NZ 3.58Å; E446-K457 PolarHBondContact OE1-NZ 2.83Å; E446-V482 WeakPolarHBondContact O-CA 3.38Å; E446-R483 PolarHBondContact N-O 3.35Å; E446-R483 PolarHBondContact O-N 3.35Å; E446-R483 IonicContact OE2-CZ 3.59Å; E446-R483 IonicContact OE2-NH2 2.75Å; E446-R483 PolarHBondContact OE2-NH2 2.91Å; E446-V485 HydrophobicContact CB-CG2 4.21Å; E446-V485 HydrophobicContact CG-CG2 3.45Å; E446-V485 VanDerWaalsContact CG-CG2 3.45Å
447	V	92.6	Very high	89.3	Confident	18 Å²	18	45.8 Å²	45.8	11%	0.109	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.1	168.6	-175.1	0	0	0	0	107.6	L455 S456 M458 A480 D481 V482	V447-L455 HydrophobicContact CG1-CB 4.43Å; V447-L455 HydrophobicContact CG1-CD1 4.39Å; V447-L455 WeakPolarHBondContact O-CB 3.3Å; V447-L455 PolarHBondContact O-N 3.27Å; V447-S456 WeakPolarHBondContact CB-OG 3.45Å; V447-S456 WeakPolarHBondContact CG2-OG 3.38Å; V447-S456 PolarHBondContact N-O 3.36Å; V447-M458 HydrophobicContact CG2-CG 4.24Å; V447-M458 HydrophobicContact CG2-SD 3.91Å; V447-A480 HydrophobicContact CG1-CB 3.6Å; V447-D481 CarbonylContact C-O 3.2Å; V447-D481 WeakPolarHBondContact CA-O 3.22Å; V447-V482 HydrophobicContact CG2-CG2 4.4Å
448	I	90.4	Very high	89.3	Confident	10 Å²	10	46 Å²	46	5%	0.051	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.7	-171.7	-54.8	175.1	0	0	0	109.4	E446 E453 D481 R483	E446-I448 HydrophobicContact CB-CG1 4.45Å; I448-E453 WeakPolarHBondContact CA-O 3.49Å; I448-D481 HydrophobicContact CB-CB 4.05Å; I448-D481 PolarHBondContact N-O 3.04Å; I448-R483 HydrophobicContact CD1-CB 3.6Å; I448-R483 HydrophobicContact CD1-CG 4.42Å
449	S	82.1	Confident	89.2	Confident	18 Å²	18	48.7 Å²	48.7	13%	0.126	28%	0.275	C	S	.	.			trans	-81	171	173.3	68.3	0	0	0	0	112.4	S451 N452 E453	S449-S451 PolarHBondContact O-N 2.84Å; S449-S451 VanDerWaalsContact O-N 3.16Å; S449-S451 PolarHBondContact OG-N 3.29Å; S449-S451 PolarHBondContact OG-OG 3.42Å; S449-N452 PolarHBondContact O-N 2.96Å; S449-E453 PolarHBondContact N-O 2.83Å; S449-E453 WeakPolarHBondContact OG-CB 3.47Å; S449-E453 PolarHBondContact OG-N 3.21Å; S449-E453 PolarHBondContact OG-O 3.5Å
450	D	79.1	Confident	89.1	Confident	117 Å²	117	50.1 Å²	50.1	63%	0.626	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.2	170.2	-57.3	-44.1	0	0	0	112.8	K430 N452	K430-D450 WeakPolarHBondContact CD-OD1 3.44Å; K430-D450 IonicContact NZ-OD1 3.13Å; K430-D450 PolarHBondContact NZ-OD1 3.41Å; K430-D450 IonicContact NZ-OD2 3.22Å; K430-D450 PolarHBondContact NZ-OD2 2.99Å; D450-N452 VanDerWaalsContact C-N 3.25Å; D450-N452 PolarHBondContact O-N 3.08Å
451	S	78.2	Confident	88.9	Confident	66 Å²	66	50.3 Å²	50.3	46%	0.462	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	9.6	176.3	51	0	0	0	0	113.8	S449 E453	S449-S451 PolarHBondContact O-N 2.84Å; S449-S451 VanDerWaalsContact O-N 3.16Å; S449-S451 PolarHBondContact OG-N 3.29Å; S449-S451 PolarHBondContact OG-OG 3.42Å; S451-E453 PolarHBondContact O-N 3.37Å
452	N	79.2	Confident	88.9	Confident	115 Å²	115	51.7 Å²	51.7	62%	0.615	30%	0.296	S	S	*	.	S	Bend	trans	59.8	22.1	-174.5	-162.1	38	0	0	0	113.8	S449 D450	S449-N452 PolarHBondContact O-N 2.96Å; D450-N452 VanDerWaalsContact C-N 3.25Å; D450-N452 PolarHBondContact O-N 3.08Å
453	E	84.6	Confident	89	Confident	104 Å²	104	48.4 Å²	48.4	49%	0.486	28%	0.278	S	S	.	.			trans	-90.3	143.2	175.3	-63.8	-176.4	164.7	0	0	110.6	I448 S449 S451 L455 H530	I448-E453 WeakPolarHBondContact CA-O 3.49Å; S449-E453 PolarHBondContact N-O 2.83Å; S449-E453 WeakPolarHBondContact OG-CB 3.47Å; S449-E453 PolarHBondContact OG-N 3.21Å; S449-E453 PolarHBondContact OG-O 3.5Å; S451-E453 PolarHBondContact O-N 3.37Å; E453-L455 PolarHBondContact O-N 2.92Å; E453-H530 IonicContact OE2-NE2 2.71Å
454	V	87	Confident	89	Confident	68 Å²	68	48.2 Å²	48.2	41%	0.412	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	107.7	178	-179.8	0	0	0	0	109.5	E446 K457	E446-V454 HydrophobicContact CB-CG1 4.15Å; E446-V454 HydrophobicContact CB-CG2 4.48Å; E446-V454 HydrophobicContact CG-CG1 3.85Å; E446-V454 HydrophobicContact CG-CG2 4.3Å; V454-K457 HydrophobicContact CG1-CG 4.15Å
455	L	85	Confident	88.8	Confident	55 Å²	55	45.9 Å²	45.9	29%	0.288	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-37.5	179.8	-66.3	176.9	0	0	0	112.6	V447 E453 R526	V447-L455 HydrophobicContact CG1-CB 4.43Å; V447-L455 HydrophobicContact CG1-CD1 4.39Å; V447-L455 WeakPolarHBondContact O-CB 3.3Å; V447-L455 PolarHBondContact O-N 3.27Å; E453-L455 PolarHBondContact O-N 2.92Å; L455-R526 PolarHBondContact O-NH1 2.97Å
456	S	89	Confident	88.5	Confident	46 Å²	46	46 Å²	46	32%	0.322	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	153	179.5	53.3	0	0	0	0	110.6	V447	V447-S456 WeakPolarHBondContact CB-OG 3.45Å; V447-S456 WeakPolarHBondContact CG2-OG 3.38Å; V447-S456 PolarHBondContact N-O 3.36Å
457	K	92.9	Very high	88.3	Confident	133 Å²	133	45.6 Å²	45.6	58%	0.578	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	140.8	169.2	-60	-165.1	178.8	-152.9	0	109.4	L445 E446 V454	L445-K457 CarbonylContact O-C 3.56Å; L445-K457 VanDerWaalsContact O-CA 3.31Å; L445-K457 WeakPolarHBondContact O-CA 3.3Å; E446-K457 HydrophobicContact CG-CD 4.36Å; E446-K457 HydrophobicContact CG-CG 4.06Å; E446-K457 WeakPolarHBondContact OE1-CE 3.49Å; E446-K457 IonicContact OE1-NZ 3.58Å; E446-K457 PolarHBondContact OE1-NZ 2.83Å; V454-K457 HydrophobicContact CG1-CG 4.15Å
458	M	92.8	Very high	88.1	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.069	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.5	176	-55	-176.6	65.4	0	0	108.5	I440 V444 L445 V447 D462 F463 F464	I440-M458 HydrophobicContact CD1-CB 3.56Å; I440-M458 HydrophobicContact CD1-CE 4.44Å; V444-M458 WeakPolarHBondContact CA-O 3.26Å; L445-M458 HydrophobicContact CB-CB 4.41Å; L445-M458 PolarHBondContact N-O 2.99Å; L445-M458 PolarHBondContact O-N 3.13Å; V447-M458 HydrophobicContact CG2-CG 4.24Å; V447-M458 HydrophobicContact CG2-SD 3.91Å; M458-D462 WeakPolarHBondContact CA-OD2 3.44Å; M458-D462 HydrophobicContact CB-CB 4.17Å; M458-D462 HydrophobicContact CE-CB 3.63Å; M458-F463 VanDerWaalsContact CE-O 3.28Å; M458-F463 WeakPolarHBondContact CE-O 3.32Å; M458-F464 HydrophobicContact CE-CB 3.79Å; M458-F464 HydrophobicContact CE-CD1 4.13Å; M458-F464 HydrophobicContact CE-CG 4.37Å; M458-F464 HydrophobicContact SD-CB 4.06Å; M458-F464 HydrophobicContact SD-CD1 4.33Å; M458-F464 HydrophobicContact SD-CG 4.39Å
459	S	92.2	Very high	88	Confident	64 Å²	64	44.5 Å²	44.5	45%	0.448	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	175.2	-176.6	53.9	0	0	0	0	111.4	G461 D462	S459-G461 PolarHBondContact O-N 2.83Å; S459-D462 PolarHBondContact N-OD2 2.71Å; S459-D462 WeakPolarHBondContact O-CB 3.44Å; S459-D462 PolarHBondContact O-N 3.26Å
460	A	90.8	Very high	88.4	Confident	40 Å²	40	44.2 Å²	44.2	33%	0.331	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	130.9	173.2	0	0	0	0	0	112.2	A441	A441-A460 WeakPolarHBondContact O-CB 3.49Å
461	G	88.3	Confident	88.8	Confident	4 Å²	4	41.8 Å²	41.8	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	-16.3	-173.7	0	0	0	0	0	114.7	V398 I440 S459	V398-G461 VanDerWaalsContact CA-O 3.28Å; V398-G461 WeakPolarHBondContact CA-O 3.49Å; V398-G461 WeakPolarHBondContact CG1-O 3.42Å; I440-G461 PolarHBondContact O-N 3.47Å; S459-G461 PolarHBondContact O-N 2.83Å
462	D	91.4	Very high	89	Confident	46 Å²	46	40.4 Å²	40.4	25%	0.246	23%	0.228	C	C	.	.			trans	-80.5	156.8	171.3	-67.4	-43	0	0	0	111.6	I440 M458 S459	I440-D462 WeakPolarHBondContact CB-O 3.16Å; I440-D462 HydrophobicContact CD1-CB 4.09Å; I440-D462 WeakPolarHBondContact CG1-O 3.3Å; I440-D462 PolarHBondContact N-O 3.1Å; M458-D462 WeakPolarHBondContact CA-OD2 3.44Å; M458-D462 HydrophobicContact CB-CB 4.17Å; M458-D462 HydrophobicContact CE-CB 3.63Å; S459-D462 PolarHBondContact N-OD2 2.71Å; S459-D462 WeakPolarHBondContact O-CB 3.44Å; S459-D462 PolarHBondContact O-N 3.26Å
463	F	92.1	Very high	89.1	Confident	3 Å²	3	37.6 Å²	37.6	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.9	171.9	72.1	-82.6	0	0	0	110.4	V398 I400 I437 F438 I439 M458 E466 I512 H515 R519	V398-F463 HydrophobicContact CG1-CD1 4.3Å; I400-F463 HydrophobicContact CB-CD1 4.05Å; I400-F463 HydrophobicContact CB-CE1 3.69Å; I400-F463 HydrophobicContact CB-CZ 4.16Å; I400-F463 HydrophobicContact CD1-CD2 4.42Å; I400-F463 HydrophobicContact CD1-CE1 4.22Å; I400-F463 HydrophobicContact CD1-CE2 4.01Å; I400-F463 HydrophobicContact CD1-CZ 3.9Å; I400-F463 HydrophobicContact CG1-CE1 4.37Å; I400-F463 HydrophobicContact CG1-CZ 4.35Å; I400-F463 HydrophobicContact CG2-CD1 4.16Å; I400-F463 HydrophobicContact CG2-CE1 4.31Å; I437-F463 HydrophobicContact CG2-CD2 4.5Å; F438-F463 CarbonylContact O-C 3.56Å; F438-F463 WeakPolarHBondContact O-CA 3.41Å; F438-F463 WeakPolarHBondContact O-CB 3.35Å; I439-F463 HydrophobicContact CG1-CB 4.01Å; M458-F463 VanDerWaalsContact CE-O 3.28Å; M458-F463 WeakPolarHBondContact CE-O 3.32Å; F463-E466 HydrophobicContact CE2-CB 4.14Å; F463-E466 HydrophobicContact CE2-CG 4.07Å; F463-I512 HydrophobicContact CE2-CG2 4.31Å; F463-H515 HydrophobicContact CZ-CB 4.06Å; F463-R519 VanDerWaalsContact O-CZ 3.23Å; F463-R519 PolarHBondContact O-NH1 2.84Å; F463-R519 PolarHBondContact O-NH2 2.89Å
464	F	93	Very high	88.9	Confident	9 Å²	9	35.2 Å²	35.2	4%	0.039	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	166.3	179.2	64	-81.2	0	0	0	113.1	I427 F438 I440 L445 M458 E466 V482 L490	I427-F464 HydrophobicContact CG2-CE2 4.03Å; I427-F464 HydrophobicContact CG2-CZ 3.92Å; F438-F464 HydrophobicContact CB-CD1 3.93Å; F438-F464 HydrophobicContact CB-CD2 4.24Å; F438-F464 HydrophobicContact CB-CE1 3.43Å; F438-F464 VanDerWaalsContact CB-CE1 3.43Å; F438-F464 HydrophobicContact CB-CE2 3.8Å; F438-F464 HydrophobicContact CB-CG 4.3Å; F438-F464 HydrophobicContact CB-CZ 3.37Å; F438-F464 AromaticContact CD2-CD2 3.91Å; F438-F464 HydrophobicContact CD2-CD2 3.91Å; F438-F464 AromaticContact CD2-CE2 3.34Å; F438-F464 HydrophobicContact CD2-CE2 3.34Å; F438-F464 AromaticContact CD2-CZ 3.72Å; F438-F464 HydrophobicContact CD2-CZ 3.72Å; F438-F464 HydrophobicContact CE2-CE2 4.12Å; F438-F464 HydrophobicContact CG-CD2 4.49Å; F438-F464 HydrophobicContact CG-CE1 4.23Å; F438-F464 AromaticContact CG-CE2 3.79Å; F438-F464 HydrophobicContact CG-CE2 3.79Å; F438-F464 AromaticContact CG-CZ 3.65Å; F438-F464 HydrophobicContact CG-CZ 3.65Å; F438-F464 PolarHBondContact N-O 2.98Å; F438-F464 PolarHBondContact O-N 2.98Å; I440-F464 HydrophobicContact CD1-CD1 4.34Å; I440-F464 HydrophobicContact CD1-CE1 4.28Å; I440-F464 HydrophobicContact CG1-CD1 4.25Å; I440-F464 HydrophobicContact CG1-CE1 3.98Å; L445-F464 HydrophobicContact CD1-CD1 4.23Å; L445-F464 HydrophobicContact CD1-CE1 3.3Å; L445-F464 HydrophobicContact CD1-CZ 3.62Å; M458-F464 HydrophobicContact CE-CB 3.79Å; M458-F464 HydrophobicContact CE-CD1 4.13Å; M458-F464 HydrophobicContact CE-CG 4.37Å; M458-F464 HydrophobicContact SD-CB 4.06Å; M458-F464 HydrophobicContact SD-CD1 4.33Å; M458-F464 HydrophobicContact SD-CG 4.39Å; F464-E466 VanDerWaalsContact C-OE2 3.31Å; F464-E466 VanDerWaalsContact CA-OE2 3.27Å; F464-E466 WeakPolarHBondContact CA-OE2 3.42Å; F464-V482 HydrophobicContact CD2-CG1 4.47Å; F464-V482 HydrophobicContact CD2-CG2 4.27Å; F464-V482 HydrophobicContact CE2-CB 4.33Å; F464-V482 HydrophobicContact CE2-CG1 4.01Å; F464-V482 HydrophobicContact CE2-CG2 4.36Å; F464-V482 HydrophobicContact CZ-CG1 4.14Å; F464-L490 HydrophobicContact CE1-CD1 4.3Å; F464-L490 HydrophobicContact CZ-CD1 4Å
465	G	91.8	Very high	88.8	Confident	14 Å²	14	35.3 Å²	35.3	14%	0.144	22%	0.217	C	C	.	.			trans	97.2	-1.5	179.1	0	0	0	0	0	114	I467 V469 R478	G465-I467 VanDerWaalsContact C-N 3.34Å; G465-I467 PolarHBondContact O-N 2.88Å; G465-V469 WeakPolarHBondContact O-CG2 3.38Å; G465-V469 PolarHBondContact O-N 2.92Å; G465-R478 VanDerWaalsContact CA-NH1 3.34Å
466	E	90.4	Very high	89	Confident	3 Å²	3	34.7 Å²	34.7	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-36.4	-178.9	74.4	-72	179.2	0	0	113.4	I437 F463 F464 G468 V469 L470 I512 A516 R519	I437-E466 HydrophobicContact CD1-CB 4.26Å; F463-E466 HydrophobicContact CE2-CB 4.14Å; F463-E466 HydrophobicContact CE2-CG 4.07Å; F464-E466 VanDerWaalsContact C-OE2 3.31Å; F464-E466 VanDerWaalsContact CA-OE2 3.27Å; F464-E466 WeakPolarHBondContact CA-OE2 3.42Å; E466-G468 PolarHBondContact O-N 2.92Å; E466-V469 PolarHBondContact O-N 3.13Å; E466-L470 VanDerWaalsContact O-CB 3.3Å; E466-L470 WeakPolarHBondContact O-CB 3.33Å; E466-L470 WeakPolarHBondContact O-CG 3.15Å; E466-L470 PolarHBondContact O-N 3.11Å; E466-I512 HydrophobicContact CB-CG2 3.63Å; E466-I512 HydrophobicContact CG-CG2 4.11Å; E466-A516 HydrophobicContact CG-CB 3.71Å; E466-R519 VanDerWaalsContact CD-NH1 3.29Å; E466-R519 VanDerWaalsContact OE1-CD 3.26Å; E466-R519 WeakPolarHBondContact OE1-CD 3.48Å; E466-R519 IonicContact OE1-CZ 2.68Å; E466-R519 IonicContact OE1-NE 2.67Å; E466-R519 IonicContact OE1-NH1 3.16Å; E466-R519 PolarHBondContact OE1-NH1 3.13Å; E466-R519 IonicContact OE2-NH1 2.77Å; E466-R519 PolarHBondContact OE2-NH1 3.07Å; E466-R519 VanDerWaalsContact OE2-NH1 3.16Å
467	I	90.6	Very high	89.2	Confident	11 Å²	11	37.4 Å²	37.4	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-50.5	-174.8	-61.5	169.1	0	0	0	110.7	G465 N471 V472 T479 A516 R519 L520	G465-I467 VanDerWaalsContact C-N 3.34Å; G465-I467 PolarHBondContact O-N 2.88Å; I467-N471 PolarHBondContact O-N 3.35Å; I467-V472 HydrophobicContact CG2-CB 4.39Å; I467-V472 PolarHBondContact O-N 3.37Å; I467-T479 HydrophobicContact CB-CG2 4.18Å; I467-T479 HydrophobicContact CD1-CG2 4.38Å; I467-T479 HydrophobicContact CG2-CG2 3.64Å; I467-A516 HydrophobicContact CG1-CB 3.93Å; I467-R519 HydrophobicContact CD1-CB 4.13Å; I467-L520 HydrophobicContact CD1-CB 4.35Å; I467-L520 HydrophobicContact CG2-CD1 3.96Å
468	G	88.9	Confident	89.2	Confident	3 Å²	3	32 Å²	32	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-72.2	-40.5	-179.6	0	0	0	0	0	112.5	A434 E466 N471 N476 K477	A434-G468 VanDerWaalsContact CB-C 3.48Å; E466-G468 PolarHBondContact O-N 2.92Å; G468-N471 PolarHBondContact O-N 3.29Å; G468-N471 VanDerWaalsContact O-N 3.16Å; G468-N476 PolarHBondContact O-OD1 3.01Å; G468-N476 VanDerWaalsContact O-OD1 3.07Å; G468-K477 WeakPolarHBondContact CA-O 3.35Å
469	V	89.6	Confident	89	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-42.5	-178.1	170.6	0	0	0	0	112.1	A434 I437 G465 E466 N471 R495 I498	A434-V469 HydrophobicContact CB-CG2 4.09Å; I437-V469 HydrophobicContact CD1-CB 4.27Å; I437-V469 HydrophobicContact CD1-CG1 4.11Å; I437-V469 HydrophobicContact CG1-CB 3.96Å; I437-V469 HydrophobicContact CG1-CG1 4.05Å; I437-V469 HydrophobicContact CG1-CG2 3.84Å; G465-V469 WeakPolarHBondContact O-CG2 3.38Å; G465-V469 PolarHBondContact O-N 2.92Å; E466-V469 PolarHBondContact O-N 3.13Å; V469-N471 PolarHBondContact O-N 3.01Å; V469-R495 HydrophobicContact CG1-CB 4.06Å; V469-R495 HydrophobicContact CG1-CG 3.95Å; V469-R495 PolarHBondContact O-NE 3.39Å; V469-I498 HydrophobicContact CG1-CG2 3.73Å
470	L	89.2	Confident	88.8	Confident	12 Å²	12	31.5 Å²	31.5	6%	0.063	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	0.2	176.1	-64.6	-178.6	0	0	0	113.8	E466 V472 L499 L502 I512	E466-L470 VanDerWaalsContact O-CB 3.3Å; E466-L470 WeakPolarHBondContact O-CB 3.33Å; E466-L470 WeakPolarHBondContact O-CG 3.15Å; E466-L470 PolarHBondContact O-N 3.11Å; L470-V472 VanDerWaalsContact C-N 3.29Å; L470-V472 HydrophobicContact CB-CG2 3.7Å; L470-V472 PolarHBondContact O-N 2.93Å; L470-L499 HydrophobicContact CD2-CD2 4.12Å; L470-L502 HydrophobicContact CD2-CD1 3.49Å; L470-L502 VanDerWaalsContact CD2-CD1 3.49Å; L470-I512 HydrophobicContact CD1-CB 3.87Å; L470-I512 HydrophobicContact CD1-CG2 3.47Å; L470-I512 VanDerWaalsContact CD1-CG2 3.47Å
471	N	87.7	Confident	88.9	Confident	67 Å²	67	31.6 Å²	31.6	36%	0.358	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	43.2	178.8	-161.9	28.6	0	0	0	113.2	I467 G468 V469 G474 V475 N476	I467-N471 PolarHBondContact O-N 3.35Å; G468-N471 PolarHBondContact O-N 3.29Å; G468-N471 VanDerWaalsContact O-N 3.16Å; V469-N471 PolarHBondContact O-N 3.01Å; N471-G474 PolarHBondContact O-N 2.96Å; N471-G474 WeakPolarHBondContact OD1-CA 3.29Å; N471-G474 PolarHBondContact OD1-O 2.83Å; N471-V475 VanDerWaalsContact OD1-CA 3.31Å; N471-V475 WeakPolarHBondContact OD1-CA 3.34Å; N471-V475 PolarHBondContact OD1-N 3.09Å; N471-N476 PolarHBondContact OD1-N 3.32Å
472	V	82.7	Confident	89.2	Confident	36 Å²	36	31.9 Å²	31.9	22%	0.218	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-31.4	-171.1	-177.5	0	0	0	0	112.4	I467 L470 G474 A516	I467-V472 HydrophobicContact CG2-CB 4.39Å; I467-V472 PolarHBondContact O-N 3.37Å; L470-V472 VanDerWaalsContact C-N 3.29Å; L470-V472 HydrophobicContact CB-CG2 3.7Å; L470-V472 PolarHBondContact O-N 2.93Å; V472-G474 VanDerWaalsContact C-N 3.3Å; V472-A516 HydrophobicContact CB-CB 4.46Å; V472-A516 HydrophobicContact CG1-CB 4.45Å; V472-A516 HydrophobicContact CG2-CB 3.8Å
473	D	80.2	Confident	89.4	Confident	56 Å²	56	33.4 Å²	33.4	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	6	175.2	63.7	-13.1	0	0	0	113.2	V475 L520	D473-V475 PolarHBondContact O-N 2.77Å; D473-V475 PolarHBondContact OD1-N 3.04Å; D473-L520 HydrophobicContact CB-CD1 3.7Å
474	G	82.3	Confident	89.6	Confident	55 Å²	55	33.2 Å²	33.2	57%	0.567	19%	0.19	S	C	*	.	S	Bend	trans	76.9	-0.1	-175.3	0	0	0	0	0	114.1	N471 V472	N471-G474 PolarHBondContact O-N 2.96Å; N471-G474 WeakPolarHBondContact OD1-CA 3.29Å; N471-G474 PolarHBondContact OD1-O 2.83Å; V472-G474 VanDerWaalsContact C-N 3.3Å
475	V	83.6	Confident	89.7	Confident	70 Å²	70	36.1 Å²	36.1	42%	0.424	21%	0.208	S	C	.	.	S	Bend	trans	-124.4	121.7	178.4	-169.7	0	0	0	0	110.4	N471 D473 K477	N471-V475 VanDerWaalsContact OD1-CA 3.31Å; N471-V475 WeakPolarHBondContact OD1-CA 3.34Å; N471-V475 PolarHBondContact OD1-N 3.09Å; D473-V475 PolarHBondContact O-N 2.77Å; D473-V475 PolarHBondContact OD1-N 3.04Å; V475-K477 HydrophobicContact CG1-CB 3.94Å; V475-K477 HydrophobicContact CG1-CD 3.66Å; V475-K477 HydrophobicContact CG1-CG 3.71Å; V475-K477 PolarHBondContact O-N 3.3Å
476	N	90.1	Very high	89.8	Confident	42 Å²	42	36.7 Å²	36.7	23%	0.225	21%	0.214	C	C	.	.			trans	-74.6	64.2	175.8	-176.3	11	0	0	0	112	I433 A434 G468 N471 R495	I433-N476 WeakPolarHBondContact CA-O 3.14Å; A434-N476 PolarHBondContact N-O 2.81Å; A434-N476 PolarHBondContact O-OD1 3.01Å; G468-N476 PolarHBondContact O-OD1 3.01Å; G468-N476 VanDerWaalsContact O-OD1 3.07Å; N471-N476 PolarHBondContact OD1-N 3.32Å; N476-R495 PolarHBondContact ND2-NH1 3.45Å
477	K	92.3	Very high	89.9	Confident	102 Å²	102	40 Å²	40	44%	0.443	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-136.7	156.8	-177.9	-73.3	-178.3	179.7	-175	0	112.2	G431 E432 G468 V475	G431-K477 WeakPolarHBondContact O-CD 3.47Å; E432-K477 CarbonylContact O-C 3.39Å; E432-K477 WeakPolarHBondContact O-CA 3.28Å; G468-K477 WeakPolarHBondContact CA-O 3.35Å; V475-K477 HydrophobicContact CG1-CB 3.94Å; V475-K477 HydrophobicContact CG1-CD 3.66Å; V475-K477 HydrophobicContact CG1-CG 3.71Å; V475-K477 PolarHBondContact O-N 3.3Å
478	R	92.3	Very high	90	Very high	20 Å²	20	39.5 Å²	39.5	8%	0.075	22%	0.224	C	C	.	.			trans	-69.5	134.7	171.8	-60.8	-60.4	-174.4	-172.3	1	109.7	C428 R429 G431 E432 E436 F438 G465	C428-R478 HydrophobicContact CB-CG 4.17Å; R429-R478 VanDerWaalsContact O-CB 3.25Å; R429-R478 WeakPolarHBondContact O-CB 3.43Å; G431-R478 PolarHBondContact N-O 2.95Å; E432-R478 HydrophobicContact CB-CG 4.19Å; E432-R478 PolarHBondContact O-N 2.93Å; E436-R478 VanDerWaalsContact O-CZ 3.29Å; E436-R478 PolarHBondContact O-NH1 3.34Å; E436-R478 PolarHBondContact O-NH2 3.39Å; E436-R478 IonicContact OE2-NH2 3.94Å; F438-R478 VanDerWaalsContact CE2-NH2 3.33Å; G465-R478 VanDerWaalsContact CA-NH1 3.34Å
479	T	88.5	Confident	90.2	Very high	53 Å²	53	40.8 Å²	40.8	33%	0.325	23%	0.23	S	C	.	.			trans	-86.9	-25.8	-175.4	50.1	0	0	0	0	114.2	I467	I467-T479 HydrophobicContact CB-CG2 4.18Å; I467-T479 HydrophobicContact CD1-CG2 4.38Å; I467-T479 HydrophobicContact CG2-CG2 3.64Å
480	A	89.3	Confident	90.3	Very high	15 Å²	15	40.9 Å²	40.9	12%	0.124	23%	0.23	C	C	.	.	S	Bend	trans	-149.9	161.2	-176.4	0	0	0	0	0	111.3	V447	V447-A480 HydrophobicContact CG1-CB 3.6Å
481	D	92.7	Very high	90.4	Very high	42 Å²	42	41.2 Å²	41.2	23%	0.225	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	135.1	171	-74.2	-23.5	0	0	0	109.6	L426 C428 R429 K430 V447 I448	L426-D481 HydrophobicContact CD1-CB 3.97Å; C428-D481 WeakPolarHBondContact O-CA 3.43Å; R429-D481 VanDerWaalsContact CA-OD1 3.24Å; R429-D481 WeakPolarHBondContact CA-OD1 3.43Å; K430-D481 PolarHBondContact N-OD1 3.07Å; V447-D481 CarbonylContact C-O 3.2Å; V447-D481 WeakPolarHBondContact CA-O 3.22Å; I448-D481 HydrophobicContact CB-CB 4.05Å; I448-D481 PolarHBondContact N-O 3.04Å
482	V	95.1	Very high	90.7	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.1	178.2	-177	0	0	0	0	109.4	L426 I427 C428 L445 E446 V447 F464	L426-V482 CarbonylContact C-O 3.56Å; L426-V482 WeakPolarHBondContact CD1-O 3.48Å; I427-V482 HydrophobicContact CD1-CG1 4.39Å; I427-V482 PolarHBondContact N-O 3.15Å; C428-V482 HydrophobicContact CB-CB 4.09Å; C428-V482 HydrophobicContact CB-CG2 4.07Å; C428-V482 PolarHBondContact N-O 2.9Å; C428-V482 PolarHBondContact O-N 3.25Å; L445-V482 HydrophobicContact CB-CG1 4.13Å; L445-V482 HydrophobicContact CD1-CG1 4.06Å; E446-V482 WeakPolarHBondContact O-CA 3.38Å; V447-V482 HydrophobicContact CG2-CG2 4.4Å; F464-V482 HydrophobicContact CD2-CG1 4.47Å; F464-V482 HydrophobicContact CD2-CG2 4.27Å; F464-V482 HydrophobicContact CE2-CB 4.33Å; F464-V482 HydrophobicContact CE2-CG1 4.01Å; F464-V482 HydrophobicContact CE2-CG2 4.36Å; F464-V482 HydrophobicContact CZ-CG1 4.14Å
483	R	95.1	Very high	91.2	Very high	78 Å²	78	36.9 Å²	36.9	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.1	-176.1	-174.1	-179.8	64.8	-160.9	-6.3	111.8	D425 L426 L445 E446 I448	D425-R483 CarbonylContact O-C 3.59Å; D425-R483 WeakPolarHBondContact O-CA 3.23Å; L426-R483 HydrophobicContact CD1-CB 4.26Å; L445-R483 CarbonylContact C-O 3.57Å; L445-R483 WeakPolarHBondContact CA-O 3.45Å; E446-R483 PolarHBondContact N-O 3.35Å; E446-R483 PolarHBondContact O-N 3.35Å; E446-R483 IonicContact OE2-CZ 3.59Å; E446-R483 IonicContact OE2-NH2 2.75Å; E446-R483 PolarHBondContact OE2-NH2 2.91Å; I448-R483 HydrophobicContact CD1-CB 3.6Å; I448-R483 HydrophobicContact CD1-CG 4.42Å
484	A	96	Very high	91.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.6	171.1	0	0	0	0	0	111.4	F421 G424 D425 I427 L445 G486 A488	F421-A484 HydrophobicContact CB-CB 4.3Å; G424-A484 PolarHBondContact N-O 3.35Å; D425-A484 PolarHBondContact O-N 3.35Å; I427-A484 HydrophobicContact CD1-CB 4.28Å; L445-A484 HydrophobicContact CD2-CB 3.88Å; A484-G486 WeakPolarHBondContact CB-O 3.41Å; A484-A488 HydrophobicContact CB-CB 4.22Å
485	V	94.9	Very high	92.5	Very high	69 Å²	69	37.2 Å²	37.2	42%	0.418	19%	0.191	S	C	.	.	S	Bend	trans	-78.2	-42.8	175.8	-179.1	0	0	0	0	110.7	V444 E446	V444-V485 HydrophobicContact CB-CB 4.49Å; V444-V485 HydrophobicContact CG1-CG2 4.26Å; V444-V485 WeakPolarHBondContact O-CB 3.47Å; V444-V485 PolarHBondContact O-N 2.93Å; E446-V485 HydrophobicContact CB-CG2 4.21Å; E446-V485 HydrophobicContact CG-CG2 3.45Å; E446-V485 VanDerWaalsContact CG-CG2 3.45Å
486	G	94	Very high	92.9	Very high	27 Å²	27	40.4 Å²	40.4	28%	0.278	20%	0.201	S	C	.	.	S	Bend	trans	-123.4	-159.6	175.5	0	0	0	0	0	110.5	A484 A488	A484-G486 WeakPolarHBondContact CB-O 3.41Å; G486-A488 PolarHBondContact O-N 2.81Å
487	Y	93	Very high	93.1	Very high	72 Å²	72	40.4 Å²	40.4	28%	0.282	20%	0.202	S	C	.	.			trans	-65	135.3	163.8	-61.6	-86.8	0	0	0	109.3	R355 Y359 F421 T422 P423	R355-Y487 WeakPolarHBondContact CD-OH 3.24Å; R355-Y487 HydrophobicContact CG-CE1 4.24Å; R355-Y487 WeakPolarHBondContact CG-OH 3.44Å; Y359-Y487 AromaticContact CD1-CD1 3.78Å; Y359-Y487 HydrophobicContact CD1-CD1 3.78Å; Y359-Y487 HydrophobicContact CD1-CE1 4.37Å; Y359-Y487 HydrophobicContact CD1-CG 4.21Å; Y359-Y487 AromaticContact CD2-CD1 3.51Å; Y359-Y487 HydrophobicContact CD2-CD1 3.51Å; Y359-Y487 AromaticContact CD2-CD2 3.74Å; Y359-Y487 HydrophobicContact CD2-CD2 3.74Å; Y359-Y487 AromaticContact CD2-CE1 3.71Å; Y359-Y487 HydrophobicContact CD2-CE1 3.71Å; Y359-Y487 AromaticContact CD2-CE2 3.92Å; Y359-Y487 HydrophobicContact CD2-CE2 3.92Å; Y359-Y487 AromaticContact CD2-CG 3.5Å; Y359-Y487 HydrophobicContact CD2-CG 3.5Å; Y359-Y487 VanDerWaalsContact CD2-CG 3.5Å; Y359-Y487 AromaticContact CD2-CZ 3.88Å; Y359-Y487 HydrophobicContact CE1-CD1 4.13Å; Y359-Y487 HydrophobicContact CE1-CG 4.15Å; Y359-Y487 AromaticContact CE2-CD1 3.89Å; Y359-Y487 HydrophobicContact CE2-CD1 3.89Å; Y359-Y487 AromaticContact CE2-CD2 3.67Å; Y359-Y487 HydrophobicContact CE2-CD2 3.67Å; Y359-Y487 HydrophobicContact CE2-CE1 4.48Å; Y359-Y487 HydrophobicContact CE2-CE2 4.28Å; Y359-Y487 AromaticContact CE2-CG 3.42Å; Y359-Y487 HydrophobicContact CE2-CG 3.42Å; Y359-Y487 VanDerWaalsContact CE2-CG 3.42Å; Y359-Y487 AromaticContact CG-CD1 3.42Å; Y359-Y487 HydrophobicContact CG-CD1 3.42Å; Y359-Y487 VanDerWaalsContact CG-CD1 3.42Å; Y359-Y487 AromaticContact CG-CE1 3.62Å; Y359-Y487 HydrophobicContact CG-CE1 3.62Å; Y359-Y487 AromaticContact CG-CG 3.89Å; Y359-Y487 HydrophobicContact CG-CG 3.89Å; Y359-Y487 AromaticContact CZ-CG 3.75Å; F421-Y487 WeakPolarHBondContact O-CA 3.45Å; T422-Y487 HydrophobicContact CG2-CD1 4.39Å; T422-Y487 HydrophobicContact CG2-CE1 4.13Å; P423-Y487 HydrophobicContact CG-CD2 4.29Å; P423-Y487 HydrophobicContact CG-CE2 4.32Å
488	A	93.7	Very high	93.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.7	179.2	0	0	0	0	0	110.1	V420 F421 D442 L445 A484 G486 L490	V420-A488 WeakPolarHBondContact CA-O 3.42Å; F421-A488 HydrophobicContact CB-CB 4.49Å; F421-A488 PolarHBondContact N-O 2.88Å; F421-A488 PolarHBondContact O-N 3.31Å; F421-A488 VanDerWaalsContact O-N 3.11Å; D442-A488 WeakPolarHBondContact O-CA 3.3Å; L445-A488 HydrophobicContact CD2-CB 3.64Å; A484-A488 HydrophobicContact CB-CB 4.22Å; G486-A488 PolarHBondContact O-N 2.81Å; A488-L490 HydrophobicContact CB-CD2 4.44Å
489	E	91.8	Very high	93.2	Very high	30 Å²	30	38.1 Å²	38.1	14%	0.14	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.8	175.1	-62.7	178.6	-160.6	0	0	108.1	Y359 K363 V420 A441 D442	Y359-E489 HydrophobicContact CE1-CG 4.42Å; Y359-E489 PolarHBondContact OH-OE1 3.13Å; K363-E489 WeakPolarHBondContact CD-OE1 3.13Å; K363-E489 WeakPolarHBondContact CE-OE1 3.21Å; K363-E489 WeakPolarHBondContact CG-OE1 3.42Å; K363-E489 IonicContact NZ-OE1 3.76Å; K363-E489 PolarHBondContact NZ-OE1 2.7Å; V420-E489 HydrophobicContact CG2-CG 4.49Å; A441-E489 WeakPolarHBondContact CA-O 3.5Å; A441-E489 HydrophobicContact CB-CB 4.24Å; A441-E489 VanDerWaalsContact CB-O 3.3Å; A441-E489 WeakPolarHBondContact CB-O 3.48Å; A441-E489 PolarHBondContact N-O 2.8Å; D442-E489 HydrophobicContact CB-CB 4.1Å; D442-E489 HydrophobicContact CB-CG 4.33Å; D442-E489 PolarHBondContact N-O 3.09Å; D442-E489 VanDerWaalsContact N-O 3.13Å; D442-E489 PolarHBondContact O-N 2.77Å
490	L	92.5	Very high	93.5	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.6	-177.1	-50.6	-173.9	0	0	0	110.6	P418 L419 F421 I427 F438 I439 I440 L445 F464 A488	P418-L490 CarbonylContact C-O 3.52Å; P418-L490 WeakPolarHBondContact CA-O 3.46Å; L419-L490 PolarHBondContact N-O 2.81Å; L419-L490 PolarHBondContact O-N 2.92Å; F421-L490 HydrophobicContact CD2-CD1 3.69Å; F421-L490 HydrophobicContact CD2-CG 4.08Å; F421-L490 HydrophobicContact CE2-CD1 3.55Å; F421-L490 HydrophobicContact CE2-CG 4.22Å; I427-L490 HydrophobicContact CD1-CD1 4.01Å; I427-L490 HydrophobicContact CG2-CD1 4.16Å; F438-L490 HydrophobicContact CB-CD1 4.28Å; F438-L490 HydrophobicContact CD1-CD1 3.97Å; F438-L490 HydrophobicContact CG-CD1 4.34Å; I439-L490 CarbonylContact O-C 3.55Å; I439-L490 VanDerWaalsContact O-CA 3.24Å; I439-L490 WeakPolarHBondContact O-CA 3.46Å; I440-L490 HydrophobicContact CB-CD2 4.05Å; I440-L490 HydrophobicContact CG1-CD2 3.83Å; I440-L490 HydrophobicContact CG2-CD2 4.01Å; L445-L490 HydrophobicContact CD1-CD1 4.44Å; L445-L490 HydrophobicContact CD1-CD2 4.12Å; F464-L490 HydrophobicContact CE1-CD1 4.3Å; F464-L490 HydrophobicContact CZ-CD1 4Å; A488-L490 HydrophobicContact CB-CD2 4.44Å
491	F	91.8	Very high	93.6	Very high	20 Å²	20	40.4 Å²	40.4	9%	0.088	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130	160.4	-67.4	-69	0	0	0	109.7	T394 M416 R417 P418 F438 I439 A441	T394-F491 HydrophobicContact CG2-CE2 4.09Å; M416-F491 HydrophobicContact CB-CB 4.25Å; M416-F491 HydrophobicContact CB-CD1 4.35Å; M416-F491 HydrophobicContact SD-CB 4.17Å; M416-F491 HydrophobicContact SD-CG 4.5Å; R417-F491 WeakPolarHBondContact O-CA 3.4Å; P418-F491 HydrophobicContact CB-CD1 4.39Å; P418-F491 HydrophobicContact CB-CE1 4.22Å; F438-F491 CarbonylContact C-O 3.4Å; F438-F491 WeakPolarHBondContact CA-O 3.49Å; I439-F491 HydrophobicContact CB-CB 4.25Å; I439-F491 PolarHBondContact N-O 2.82Å; I439-F491 PolarHBondContact O-N 3.39Å; A441-F491 HydrophobicContact CB-CD2 4Å; A441-F491 HydrophobicContact CB-CE2 3.73Å
492	V	92.8	Very high	93.6	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127	-177.8	-172.8	0	0	0	0	109.1	M416 R417 L419 E436 F438	M416-V492 WeakPolarHBondContact CA-O 3.38Å; R417-V492 PolarHBondContact N-O 3.17Å; R417-V492 PolarHBondContact O-N 3.3Å; L419-V492 HydrophobicContact CB-CG2 3.53Å; L419-V492 HydrophobicContact CD2-CG2 3.62Å; L419-V492 HydrophobicContact CG-CG2 4.23Å; E436-V492 HydrophobicContact CB-CG1 3.49Å; E436-V492 VanDerWaalsContact CB-CG1 3.49Å; E436-V492 HydrophobicContact CG-CG1 3.52Å; F438-V492 HydrophobicContact CD1-CB 4.49Å; F438-V492 HydrophobicContact CD1-CG1 4.4Å; F438-V492 HydrophobicContact CD1-CG2 3.81Å; F438-V492 HydrophobicContact CE1-CB 4.46Å; F438-V492 HydrophobicContact CE1-CG1 4.03Å; F438-V492 HydrophobicContact CE1-CG2 3.76Å
493	L	93.4	Very high	93.6	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126	173.8	-173.1	63.7	0	0	0	109.8	I412 K415 M416 E436 I437 D497 I498	I412-L493 HydrophobicContact CB-CD1 4.47Å; I412-L493 HydrophobicContact CB-CD2 4.1Å; I412-L493 HydrophobicContact CD1-CD2 4.41Å; I412-L493 HydrophobicContact CG2-CD2 4.15Å; K415-L493 HydrophobicContact CB-CD1 3.69Å; M416-L493 HydrophobicContact CG-CD1 4.37Å; E436-L493 CarbonylContact C-O 3.57Å; E436-L493 VanDerWaalsContact CA-O 3.22Å; E436-L493 WeakPolarHBondContact CA-O 3.21Å; E436-L493 WeakPolarHBondContact CB-O 3.38Å; I437-L493 PolarHBondContact N-O 3.16Å; I437-L493 PolarHBondContact O-N 2.67Å; L493-D497 HydrophobicContact CD1-CB 3.89Å; L493-I498 HydrophobicContact CD2-CB 3.69Å; L493-I498 HydrophobicContact CD2-CD1 3.6Å; L493-I498 HydrophobicContact CD2-CG1 4.08Å; L493-I498 HydrophobicContact CG-CB 4.07Å
494	S	95.2	Very high	93.4	Very high	28 Å²	28	48.1 Å²	48.1	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	150.7	-178.4	87.7	0	0	0	0	111.4	E496 D497 I498	S494-E496 VanDerWaalsContact C-N 3.25Å; S494-E496 PolarHBondContact O-N 3.33Å; S494-D497 PolarHBondContact O-N 3.41Å; S494-D497 WeakPolarHBondContact OG-CB 3.47Å; S494-D497 PolarHBondContact OG-N 3.44Å; S494-D497 PolarHBondContact OG-OD2 3.29Å; S494-I498 WeakPolarHBondContact O-CG2 3.42Å; S494-I498 PolarHBondContact O-N 3.49Å
495	R	94	Very high	93.3	Very high	91 Å²	91	49.2 Å²	49.2	34%	0.343	24%	0.242	S	C	.	.	H	α-helix	trans	-55.6	-40.5	175.6	172.4	164.1	-173	-112.6	1.7	112.3	R435 V469 N476 I498 L499	R435-R495 WeakPolarHBondContact O-CB 3.28Å; R435-R495 PolarHBondContact O-N 2.89Å; V469-R495 HydrophobicContact CG1-CB 4.06Å; V469-R495 HydrophobicContact CG1-CG 3.95Å; V469-R495 PolarHBondContact O-NE 3.39Å; N476-R495 PolarHBondContact ND2-NH1 3.45Å; R495-I498 WeakPolarHBondContact O-CG2 3.41Å; R495-L499 HydrophobicContact CG-CD1 3.65Å; R495-L499 HydrophobicContact CG-CG 4.23Å; R495-L499 VanDerWaalsContact O-CB 3.29Å; R495-L499 WeakPolarHBondContact O-CB 3.43Å; R495-L499 WeakPolarHBondContact O-CG 3.28Å; R495-L499 PolarHBondContact O-N 3.37Å
496	E	93.6	Very high	93.1	Very high	136 Å²	136	50.1 Å²	50.1	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-66.2	-41.2	-179.4	-63.7	-178.8	-166.9	0	0	111.6	S494 K500	S494-E496 VanDerWaalsContact C-N 3.25Å; S494-E496 PolarHBondContact O-N 3.33Å; E496-K500 WeakPolarHBondContact O-CB 3.49Å; E496-K500 WeakPolarHBondContact O-CD 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.36Å; E496-K500 PolarHBondContact O-N 2.91Å; E496-K500 VanDerWaalsContact O-N 3.1Å
497	D	94.3	Very high	93	Very high	43 Å²	43	51.3 Å²	51.3	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-71.7	-42.7	-177.7	-68.7	-39.9	0	0	0	112.4	K415 L493 S494 A501	K415-D497 HydrophobicContact CB-CB 4.12Å; K415-D497 HydrophobicContact CD-CB 3.69Å; K415-D497 HydrophobicContact CG-CB 4.47Å; L493-D497 HydrophobicContact CD1-CB 3.89Å; S494-D497 PolarHBondContact O-N 3.41Å; S494-D497 WeakPolarHBondContact OG-CB 3.47Å; S494-D497 PolarHBondContact OG-N 3.44Å; S494-D497 PolarHBondContact OG-OD2 3.29Å; D497-A501 PolarHBondContact O-N 3.19Å
498	I	92.9	Very high	92.9	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-43	176.5	-173.3	63.9	0	0	0	111.3	F408 I437 V469 L493 S494 R495 K500 A501 L502 I512	F408-I498 HydrophobicContact CE2-CD1 4.13Å; F408-I498 HydrophobicContact CZ-CD1 3.76Å; I437-I498 HydrophobicContact CD1-CG1 3.99Å; I437-I498 HydrophobicContact CD1-CG2 4.27Å; V469-I498 HydrophobicContact CG1-CG2 3.73Å; L493-I498 HydrophobicContact CD2-CB 3.69Å; L493-I498 HydrophobicContact CD2-CD1 3.6Å; L493-I498 HydrophobicContact CD2-CG1 4.08Å; L493-I498 HydrophobicContact CG-CB 4.07Å; S494-I498 WeakPolarHBondContact O-CG2 3.42Å; S494-I498 PolarHBondContact O-N 3.49Å; R495-I498 WeakPolarHBondContact O-CG2 3.41Å; I498-K500 VanDerWaalsContact C-N 3.31Å; I498-K500 PolarHBondContact O-N 3.04Å; I498-A501 PolarHBondContact O-N 3.34Å; I498-L502 HydrophobicContact CD1-CD1 4.17Å; I498-L502 HydrophobicContact CD1-CD2 4.37Å; I498-L502 HydrophobicContact CD1-CG 4.01Å; I498-L502 HydrophobicContact CG1-CD1 3.73Å; I498-L502 HydrophobicContact CG1-CG 4.04Å; I498-L502 WeakPolarHBondContact O-CB 3.49Å; I498-L502 VanDerWaalsContact O-CG 3.25Å; I498-L502 WeakPolarHBondContact O-CG 3.3Å; I498-L502 PolarHBondContact O-N 3.46Å; I498-I512 HydrophobicContact CD1-CD1 4.29Å
499	L	93	Very high	92.7	Very high	69 Å²	69	50.8 Å²	50.8	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-35.7	179.8	-70.7	177	0	0	0	112	L470 R495 K503	L470-L499 HydrophobicContact CD2-CD2 4.12Å; R495-L499 HydrophobicContact CG-CD1 3.65Å; R495-L499 HydrophobicContact CG-CG 4.23Å; R495-L499 VanDerWaalsContact O-CB 3.29Å; R495-L499 WeakPolarHBondContact O-CB 3.43Å; R495-L499 WeakPolarHBondContact O-CG 3.28Å; R495-L499 PolarHBondContact O-N 3.37Å; L499-K503 PolarHBondContact O-N 2.99Å; L499-K503 VanDerWaalsContact O-N 3.13Å
500	K	94	Very high	92.7	Very high	115 Å²	115	52.3 Å²	52.3	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-48.4	171.3	-74.1	167.8	-170	165.9	0	111.1	E496 I498 L502 K503 D504	E496-K500 WeakPolarHBondContact O-CB 3.49Å; E496-K500 WeakPolarHBondContact O-CD 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.36Å; E496-K500 PolarHBondContact O-N 2.91Å; E496-K500 VanDerWaalsContact O-N 3.1Å; I498-K500 VanDerWaalsContact C-N 3.31Å; I498-K500 PolarHBondContact O-N 3.04Å; K500-L502 PolarHBondContact O-N 3.22Å; K500-K503 WeakPolarHBondContact O-CB 3.49Å; K500-K503 PolarHBondContact O-N 3.25Å; K500-D504 PolarHBondContact O-N 2.93Å
501	A	92.8	Very high	92.6	Very high	1 Å²	1	53 Å²	53	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-40.1	179.7	0	0	0	0	0	112.7	F408 I412 D497 I498 K503 D504 H505	F408-A501 HydrophobicContact CD2-CB 4.46Å; F408-A501 HydrophobicContact CE2-CB 4.06Å; I412-A501 HydrophobicContact CG2-CB 3.4Å; I412-A501 VanDerWaalsContact CG2-CB 3.4Å; D497-A501 PolarHBondContact O-N 3.19Å; I498-A501 PolarHBondContact O-N 3.34Å; A501-K503 VanDerWaalsContact C-N 3.28Å; A501-K503 PolarHBondContact O-N 2.8Å; A501-D504 PolarHBondContact O-N 3.21Å; A501-H505 PolarHBondContact O-CD2 2.83Å; A501-H505 PolarHBondContact O-N 2.85Å
502	L	93.2	Very high	92.5	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-29.6	177.9	-69.8	172.6	0	0	0	112.9	F408 L470 I498 K500 D504 H505 A508 E509 I512	F408-L502 HydrophobicContact CE2-CD2 3.9Å; F408-L502 HydrophobicContact CZ-CD2 4.09Å; L470-L502 HydrophobicContact CD2-CD1 3.49Å; L470-L502 VanDerWaalsContact CD2-CD1 3.49Å; I498-L502 HydrophobicContact CD1-CD1 4.17Å; I498-L502 HydrophobicContact CD1-CD2 4.37Å; I498-L502 HydrophobicContact CD1-CG 4.01Å; I498-L502 HydrophobicContact CG1-CD1 3.73Å; I498-L502 HydrophobicContact CG1-CG 4.04Å; I498-L502 WeakPolarHBondContact O-CB 3.49Å; I498-L502 VanDerWaalsContact O-CG 3.25Å; I498-L502 WeakPolarHBondContact O-CG 3.3Å; I498-L502 PolarHBondContact O-N 3.46Å; K500-L502 PolarHBondContact O-N 3.22Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 2.97Å; L502-H505 CarbonylContact O-C 3.56Å; L502-H505 PolarHBondContact O-N 3.31Å; L502-A508 HydrophobicContact CD2-CB 3.93Å; L502-E509 HydrophobicContact CB-CB 4.2Å; L502-E509 HydrophobicContact CB-CG 4.43Å; L502-E509 HydrophobicContact CD1-CG 4.43Å; L502-E509 HydrophobicContact CD2-CB 3.99Å; L502-E509 HydrophobicContact CG-CB 4.5Å; L502-I512 HydrophobicContact CD1-CD1 4.27Å; L502-I512 HydrophobicContact CD2-CD1 3.66Å; L502-I512 HydrophobicContact CD2-CG1 4.33Å; L502-I512 HydrophobicContact CG-CD1 4.5Å
503	K	93	Very high	92.4	Very high	176 Å²	176	56.1 Å²	56.1	77%	0.765	28%	0.281	S	S	*	.	H	α-helix	trans	-62.4	-36.5	173.2	-173.4	-175.9	176.2	-173.3	0	111.9	L499 K500 A501	L499-K503 PolarHBondContact O-N 2.99Å; L499-K503 VanDerWaalsContact O-N 3.13Å; K500-K503 WeakPolarHBondContact O-CB 3.49Å; K500-K503 PolarHBondContact O-N 3.25Å; A501-K503 VanDerWaalsContact C-N 3.28Å; A501-K503 PolarHBondContact O-N 2.8Å
504	D	92.8	Very high	92.3	Very high	114 Å²	114	62.1 Å²	62.1	61%	0.61	31%	0.307	S	S	*	.	H	α-helix	trans	-82.9	-25.7	179.1	-61.2	-29.8	0	0	0	111.9	K500 A501 L502 P506	K500-D504 PolarHBondContact O-N 2.93Å; A501-D504 PolarHBondContact O-N 3.21Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 2.97Å; D504-P506 WeakPolarHBondContact O-CD 3.35Å
505	H	93	Very high	92	Very high	23 Å²	23	61.8 Å²	61.8	11%	0.106	30%	0.302	C	S	.	.			trans	-124.1	80.2	-179.5	-59.1	-82.7	0	0	0	112.1	F408 D411 A501 L502 D507 A508 E509	F408-H505 HydrophobicContact CB-CB 4.3Å; F408-H505 HydrophobicContact CD2-CB 3.97Å; D411-H505 IonicContact OD2-CD2 3.98Å; D411-H505 IonicContact OD2-CE1 3.53Å; D411-H505 IonicContact OD2-NE2 3.93Å; D411-H505 PolarHBondContact OD2-NE2 3.17Å; A501-H505 PolarHBondContact O-CD2 2.83Å; A501-H505 PolarHBondContact O-N 2.85Å; L502-H505 CarbonylContact O-C 3.56Å; L502-H505 PolarHBondContact O-N 3.31Å; H505-D507 VanDerWaalsContact C-N 3.28Å; H505-D507 PolarHBondContact O-N 3.47Å; H505-A508 HydrophobicContact CB-CB 4.12Å; H505-A508 WeakPolarHBondContact O-CB 3.37Å; H505-A508 PolarHBondContact O-N 3.42Å; H505-E509 PolarHBondContact O-N 3.13Å
506	P	91.4	Very high	91.8	Very high	88 Å²	88	57.4 Å²	57.4	57%	0.571	29%	0.286	S	S	*	.	H	α-helix	trans	-69.7	-22.6	-176.5	27.8	-35.7	0	0	0	113.8	D504 E509 A510	D504-P506 WeakPolarHBondContact O-CD 3.35Å; P506-E509 PolarHBondContact O-N 3.38Å; P506-A510 PolarHBondContact O-N 3.41Å; P506-A510 VanDerWaalsContact O-N 3.09Å
507	D	90.8	Very high	91.6	Very high	52 Å²	52	53.4 Å²	53.4	28%	0.278	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-43.7	171.8	60.1	-44.8	0	0	0	111.2	R405 H505 A510 V511	R405-D507 WeakPolarHBondContact CG-OD2 3.43Å; H505-D507 VanDerWaalsContact C-N 3.28Å; H505-D507 PolarHBondContact O-N 3.47Å; D507-A510 PolarHBondContact O-N 3.34Å; D507-V511 WeakPolarHBondContact O-CG2 3.26Å; D507-V511 PolarHBondContact O-N 3.23Å
508	A	90.7	Very high	91.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-46.9	173.3	0	0	0	0	0	110.2	C404 F408 L502 H505 A510 V511 I512	C404-A508 HydrophobicContact CB-CB 4.31Å; F408-A508 HydrophobicContact CB-CB 4.4Å; F408-A508 HydrophobicContact CD1-CB 3.9Å; F408-A508 HydrophobicContact CD2-CB 3.76Å; F408-A508 HydrophobicContact CE1-CB 4.04Å; F408-A508 HydrophobicContact CE2-CB 3.92Å; F408-A508 HydrophobicContact CG-CB 3.74Å; F408-A508 HydrophobicContact CZ-CB 4.05Å; L502-A508 HydrophobicContact CD2-CB 3.93Å; H505-A508 HydrophobicContact CB-CB 4.12Å; H505-A508 WeakPolarHBondContact O-CB 3.37Å; H505-A508 PolarHBondContact O-N 3.42Å; A508-A510 VanDerWaalsContact C-N 3.29Å; A508-A510 PolarHBondContact O-N 2.85Å; A508-V511 WeakPolarHBondContact O-CB 3.39Å; A508-V511 PolarHBondContact O-N 3.01Å; A508-I512 VanDerWaalsContact O-CG1 3.28Å; A508-I512 WeakPolarHBondContact O-CG1 3.42Å; A508-I512 PolarHBondContact O-N 3Å
509	E	91	Very high	91.1	Very high	61 Å²	61	59.2 Å²	59.2	29%	0.285	29%	0.289	S	S	.	.	H	α-helix	trans	-54.3	-44.2	178.5	-166.7	-172.3	157.1	0	0	112.5	L502 H505 P506 V511 I512 R513	L502-E509 HydrophobicContact CB-CB 4.2Å; L502-E509 HydrophobicContact CB-CG 4.43Å; L502-E509 HydrophobicContact CD1-CG 4.43Å; L502-E509 HydrophobicContact CD2-CB 3.99Å; L502-E509 HydrophobicContact CG-CB 4.5Å; H505-E509 PolarHBondContact O-N 3.13Å; P506-E509 PolarHBondContact O-N 3.38Å; E509-V511 VanDerWaalsContact C-N 3.35Å; E509-V511 PolarHBondContact O-N 3.42Å; E509-I512 PolarHBondContact O-N 3.48Å; E509-R513 WeakPolarHBondContact O-CB 3.3Å; E509-R513 PolarHBondContact O-N 3.01Å; E509-R513 IonicContact OE1-CZ 3.66Å; E509-R513 IonicContact OE1-NE 3.94Å; E509-R513 IonicContact OE1-NH2 3.19Å; E509-R513 PolarHBondContact OE1-NH2 3.16Å
510	A	91	Very high	90.8	Very high	61 Å²	61	56.8 Å²	56.8	50%	0.504	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-42.2	178.1	0	0	0	0	0	112.4	P506 D507 A508 K514	P506-A510 PolarHBondContact O-N 3.41Å; P506-A510 VanDerWaalsContact O-N 3.09Å; D507-A510 PolarHBondContact O-N 3.34Å; A508-A510 VanDerWaalsContact C-N 3.29Å; A508-A510 PolarHBondContact O-N 2.85Å; A510-K514 VanDerWaalsContact O-CB 3.28Å; A510-K514 WeakPolarHBondContact O-CB 3.27Å; A510-K514 PolarHBondContact O-N 3.21Å
511	V	90.4	Very high	90.4	Very high	18 Å²	18	52.4 Å²	52.4	11%	0.109	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-51.2	176.2	171.5	0	0	0	0	110.6	I400 E403 D507 A508 E509 R513 K514 H515	I400-V511 HydrophobicContact CG1-CG1 4.5Å; E403-V511 HydrophobicContact CB-CG1 3.76Å; E403-V511 HydrophobicContact CB-CG2 3.94Å; D507-V511 WeakPolarHBondContact O-CG2 3.26Å; D507-V511 PolarHBondContact O-N 3.23Å; A508-V511 WeakPolarHBondContact O-CB 3.39Å; A508-V511 PolarHBondContact O-N 3.01Å; E509-V511 VanDerWaalsContact C-N 3.35Å; E509-V511 PolarHBondContact O-N 3.42Å; V511-R513 VanDerWaalsContact C-N 3.31Å; V511-R513 PolarHBondContact O-N 3.47Å; V511-K514 WeakPolarHBondContact O-CB 3.35Å; V511-K514 PolarHBondContact O-N 2.95Å; V511-H515 PolarHBondContact O-CD2 3.04Å; V511-H515 PolarHBondContact O-N 3.32Å
512	I	89.9	Confident	90.1	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-44.5	-179.4	-49.1	-166.2	0	0	0	110.4	I400 F408 F463 E466 L470 I498 L502 A508 E509 K514 H515 A516	I400-I512 HydrophobicContact CD1-CB 4.4Å; I400-I512 HydrophobicContact CD1-CD1 3.46Å; I400-I512 VanDerWaalsContact CD1-CD1 3.46Å; I400-I512 HydrophobicContact CD1-CG1 3.39Å; I400-I512 HydrophobicContact CD1-CG2 4.46Å; I400-I512 HydrophobicContact CG1-CG1 4.11Å; F408-I512 HydrophobicContact CZ-CD1 4.3Å; F463-I512 HydrophobicContact CE2-CG2 4.31Å; E466-I512 HydrophobicContact CB-CG2 3.63Å; E466-I512 HydrophobicContact CG-CG2 4.11Å; L470-I512 HydrophobicContact CD1-CB 3.87Å; L470-I512 HydrophobicContact CD1-CG2 3.47Å; L470-I512 VanDerWaalsContact CD1-CG2 3.47Å; I498-I512 HydrophobicContact CD1-CD1 4.29Å; L502-I512 HydrophobicContact CD1-CD1 4.27Å; L502-I512 HydrophobicContact CD2-CD1 3.66Å; L502-I512 HydrophobicContact CD2-CG1 4.33Å; L502-I512 HydrophobicContact CG-CD1 4.5Å; A508-I512 VanDerWaalsContact O-CG1 3.28Å; A508-I512 WeakPolarHBondContact O-CG1 3.42Å; A508-I512 PolarHBondContact O-N 3Å; E509-I512 PolarHBondContact O-N 3.48Å; I512-K514 VanDerWaalsContact C-N 3.35Å; I512-K514 PolarHBondContact O-N 3.42Å; I512-H515 PolarHBondContact O-N 2.89Å; I512-A516 WeakPolarHBondContact O-CB 3.44Å; I512-A516 PolarHBondContact O-N 2.92Å
513	R	91	Very high	89.5	Confident	90 Å²	90	56.8 Å²	56.8	34%	0.34	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-40	179.2	-169.9	178.2	-65.3	-78.3	1	111.6	E509 V511 A516 T517	E509-R513 WeakPolarHBondContact O-CB 3.3Å; E509-R513 PolarHBondContact O-N 3.01Å; E509-R513 IonicContact OE1-CZ 3.66Å; E509-R513 IonicContact OE1-NE 3.94Å; E509-R513 IonicContact OE1-NH2 3.19Å; E509-R513 PolarHBondContact OE1-NH2 3.16Å; V511-R513 VanDerWaalsContact C-N 3.31Å; V511-R513 PolarHBondContact O-N 3.47Å; R513-A516 WeakPolarHBondContact O-CB 3.13Å; R513-A516 PolarHBondContact O-N 2.82Å; R513-T517 PolarHBondContact O-N 3.46Å; R513-T517 PolarHBondContact O-OG1 3.16Å; R513-T517 VanDerWaalsContact O-OG1 3.06Å
514	K	90.8	Very high	89	Confident	131 Å²	131	54.7 Å²	54.7	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-59.7	-45.1	173.8	178	-172.1	171.4	-161.3	0	111.8	E403 A510 V511 I512 R518	E403-K514 IonicContact OE2-NZ 4Å; A510-K514 VanDerWaalsContact O-CB 3.28Å; A510-K514 WeakPolarHBondContact O-CB 3.27Å; A510-K514 PolarHBondContact O-N 3.21Å; V511-K514 WeakPolarHBondContact O-CB 3.35Å; V511-K514 PolarHBondContact O-N 2.95Å; I512-K514 VanDerWaalsContact C-N 3.35Å; I512-K514 PolarHBondContact O-N 3.42Å; K514-R518 WeakPolarHBondContact O-CB 3.18Å; K514-R518 PolarHBondContact O-N 3.34Å
515	H	88.3	Confident	88.5	Confident	20 Å²	20	50.8 Å²	50.8	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-41.7	174.8	-78.4	-78.8	0	0	0	112.3	E403 F463 V511 I512 R518 R519	E403-H515 IonicContact OE1-NE2 2.73Å; F463-H515 HydrophobicContact CZ-CB 4.06Å; V511-H515 PolarHBondContact O-CD2 3.04Å; V511-H515 PolarHBondContact O-N 3.32Å; I512-H515 PolarHBondContact O-N 2.89Å; H515-R518 PolarHBondContact O-N 2.84Å; H515-R519 PolarHBondContact O-N 2.8Å
516	A	89	Confident	87.6	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-49.6	177.7	0	0	0	0	0	111.8	E466 I467 V472 I512 R513 R518 R519 L520	E466-A516 HydrophobicContact CG-CB 3.71Å; I467-A516 HydrophobicContact CG1-CB 3.93Å; V472-A516 HydrophobicContact CB-CB 4.46Å; V472-A516 HydrophobicContact CG1-CB 4.45Å; V472-A516 HydrophobicContact CG2-CB 3.8Å; I512-A516 WeakPolarHBondContact O-CB 3.44Å; I512-A516 PolarHBondContact O-N 2.92Å; R513-A516 WeakPolarHBondContact O-CB 3.13Å; R513-A516 PolarHBondContact O-N 2.82Å; A516-R518 PolarHBondContact O-N 2.72Å; A516-R519 PolarHBondContact O-N 3.3Å; A516-L520 VanDerWaalsContact O-CB 3.3Å; A516-L520 WeakPolarHBondContact O-CB 3.28Å; A516-L520 PolarHBondContact O-N 2.86Å
517	T	90.9	Very high	86.7	Confident	51 Å²	51	55 Å²	55	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-42.1	178	-56.6	0	0	0	0	111.3	R513 L520 C521	R513-T517 PolarHBondContact O-N 3.46Å; R513-T517 PolarHBondContact O-OG1 3.16Å; R513-T517 VanDerWaalsContact O-OG1 3.06Å; T517-L520 PolarHBondContact O-N 3.45Å; T517-C521 WeakPolarHBondContact O-CB 3.41Å; T517-C521 PolarHBondContact O-N 3.42Å; T517-C521 PolarHBondContact O-SG 3.25Å; T517-C521 VanDerWaalsContact O-SG 3.32Å
518	R	89.6	Confident	85.9	Confident	124 Å²	124	57 Å²	57	47%	0.468	27%	0.266	S	S	.	.	H	α-helix	trans	-57.5	-52.4	176.3	-178.7	-172.8	65	150.8	1.1	111.4	K514 H515 A516 L520 C521 E522	K514-R518 WeakPolarHBondContact O-CB 3.18Å; K514-R518 PolarHBondContact O-N 3.34Å; H515-R518 PolarHBondContact O-N 2.84Å; A516-R518 PolarHBondContact O-N 2.72Å; R518-L520 VanDerWaalsContact C-N 3.32Å; R518-L520 PolarHBondContact O-N 3.45Å; R518-C521 PolarHBondContact O-N 2.91Å; R518-E522 WeakPolarHBondContact CG-OE1 3.26Å; R518-E522 IonicContact NE-OE1 2.76Å; R518-E522 WeakPolarHBondContact O-CG 3.43Å; R518-E522 PolarHBondContact O-N 2.86Å
519	R	87.5	Confident	84.8	Confident	45 Å²	45	57.7 Å²	57.7	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-40.6	-179.8	-77.6	178	172.7	166.6	-3.1	112	F463 E466 I467 H515 A516 E522 T523	F463-R519 VanDerWaalsContact O-CZ 3.23Å; F463-R519 PolarHBondContact O-NH1 2.84Å; F463-R519 PolarHBondContact O-NH2 2.89Å; E466-R519 VanDerWaalsContact CD-NH1 3.29Å; E466-R519 VanDerWaalsContact OE1-CD 3.26Å; E466-R519 WeakPolarHBondContact OE1-CD 3.48Å; E466-R519 IonicContact OE1-CZ 2.68Å; E466-R519 IonicContact OE1-NE 2.67Å; E466-R519 IonicContact OE1-NH1 3.16Å; E466-R519 PolarHBondContact OE1-NH1 3.13Å; E466-R519 IonicContact OE2-NH1 2.77Å; E466-R519 PolarHBondContact OE2-NH1 3.07Å; E466-R519 VanDerWaalsContact OE2-NH1 3.16Å; I467-R519 HydrophobicContact CD1-CB 4.13Å; H515-R519 PolarHBondContact O-N 2.8Å; A516-R519 PolarHBondContact O-N 3.3Å; R519-E522 PolarHBondContact O-N 2.9Å; R519-T523 PolarHBondContact O-N 3.21Å; R519-T523 PolarHBondContact O-OG1 3.24Å
520	L	85.4	Confident	83.6	Confident	19 Å²	19	60.3 Å²	60.3	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-39	177.3	179.7	139.6	0	0	0	112.6	I467 D473 A516 T517 R518 R524	I467-L520 HydrophobicContact CD1-CB 4.35Å; I467-L520 HydrophobicContact CG2-CD1 3.96Å; D473-L520 HydrophobicContact CB-CD1 3.7Å; A516-L520 VanDerWaalsContact O-CB 3.3Å; A516-L520 WeakPolarHBondContact O-CB 3.28Å; A516-L520 PolarHBondContact O-N 2.86Å; T517-L520 PolarHBondContact O-N 3.45Å; R518-L520 VanDerWaalsContact C-N 3.32Å; R518-L520 PolarHBondContact O-N 3.45Å; L520-R524 WeakPolarHBondContact O-CG 3.24Å; L520-R524 PolarHBondContact O-N 3.27Å
521	C	86.9	Confident	82.2	Confident	23 Å²	23	64.5 Å²	64.5	16%	0.155	30%	0.297	C	S	.	.	H	α-helix	trans	-64	-45.2	171.6	-72.2	0	0	0	0	112	T517 R518 T523 R524 V525	T517-C521 WeakPolarHBondContact O-CB 3.41Å; T517-C521 PolarHBondContact O-N 3.42Å; T517-C521 PolarHBondContact O-SG 3.25Å; T517-C521 VanDerWaalsContact O-SG 3.32Å; R518-C521 PolarHBondContact O-N 2.91Å; C521-T523 VanDerWaalsContact C-N 3.34Å; C521-T523 PolarHBondContact O-N 2.95Å; C521-R524 PolarHBondContact O-N 3.06Å; C521-V525 VanDerWaalsContact O-CG2 3.32Å; C521-V525 WeakPolarHBondContact O-CG2 3.41Å; C521-V525 PolarHBondContact O-N 2.88Å
522	E	85.5	Confident	81	Confident	50 Å²	50	70.6 Å²	70.6	23%	0.234	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-43	176.8	-72.2	169.8	-171.6	0	0	111.9	R518 R519 R526	R518-E522 WeakPolarHBondContact CG-OE1 3.26Å; R518-E522 IonicContact NE-OE1 2.76Å; R518-E522 WeakPolarHBondContact O-CG 3.43Å; R518-E522 PolarHBondContact O-N 2.86Å; R519-E522 PolarHBondContact O-N 2.9Å; E522-R526 VanDerWaalsContact O-CG 3.26Å; E522-R526 WeakPolarHBondContact O-CG 3.46Å; E522-R526 PolarHBondContact O-N 3.46Å; E522-R526 VanDerWaalsContact O-N 3.13Å
523	T	81.4	Confident	79.4	Confident	44 Å²	44	73.9 Å²	73.9	27%	0.27	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-45.1	175.9	-55.9	0	0	0	0	111.8	R519 C521 R526 Q527	R519-T523 PolarHBondContact O-N 3.21Å; R519-T523 PolarHBondContact O-OG1 3.24Å; C521-T523 VanDerWaalsContact C-N 3.34Å; C521-T523 PolarHBondContact O-N 2.95Å; T523-R526 PolarHBondContact O-N 2.97Å; T523-Q527 WeakPolarHBondContact O-CG 3.44Å; T523-Q527 PolarHBondContact O-N 3.04Å
524	R	81.8	Confident	77.2	Confident	132 Å²	132	77.1 Å²	77.1	50%	0.498	38%	0.375	S	S	.	.	H	α-helix	trans	-63.5	-42.9	178.9	-76	177.8	179.2	169.8	0.4	112.5	L520 C521 R526 Q527 Q528	L520-R524 WeakPolarHBondContact O-CG 3.24Å; L520-R524 PolarHBondContact O-N 3.27Å; C521-R524 PolarHBondContact O-N 3.06Å; R524-R526 VanDerWaalsContact C-N 3.3Å; R524-R526 PolarHBondContact O-N 3.48Å; R524-Q527 PolarHBondContact O-N 3.4Å; R524-Q528 WeakPolarHBondContact O-CG 3.37Å; R524-Q528 PolarHBondContact O-N 2.83Å
525	V	81.8	Confident	74.7	Confident	32 Å²	32	82.5 Å²	82.5	19%	0.194	39%	0.392	C	S	.	.	H	α-helix	trans	-61.6	-40.3	176.7	170.4	0	0	0	0	110.9	C521 Q528 A529 P537	C521-V525 VanDerWaalsContact O-CG2 3.32Å; C521-V525 WeakPolarHBondContact O-CG2 3.41Å; C521-V525 PolarHBondContact O-N 2.88Å; V525-Q528 PolarHBondContact O-N 2.73Å; V525-A529 WeakPolarHBondContact O-CB 3.43Å; V525-A529 PolarHBondContact O-N 2.82Å; V525-P537 HydrophobicContact CG1-CG 4.4Å
526	R	75.6	Confident	72.6	Confident	106 Å²	106	86.6 Å²	86.6	40%	0.4	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-41.8	176.1	-71	171.3	-174.2	-172.9	0.5	112.3	L455 E522 T523 R524 A529 H530	L455-R526 PolarHBondContact O-NH1 2.97Å; E522-R526 VanDerWaalsContact O-CG 3.26Å; E522-R526 WeakPolarHBondContact O-CG 3.46Å; E522-R526 PolarHBondContact O-N 3.46Å; E522-R526 VanDerWaalsContact O-N 3.13Å; T523-R526 PolarHBondContact O-N 2.97Å; R524-R526 VanDerWaalsContact C-N 3.3Å; R524-R526 PolarHBondContact O-N 3.48Å; R526-A529 PolarHBondContact O-N 3.41Å; R526-H530 WeakPolarHBondContact O-CB 3.32Å; R526-H530 PolarHBondContact O-N 3.43Å
527	Q	71.5	Confident	70.2	Confident	95 Å²	95	90 Å²	90	44%	0.444	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-44.4	175.5	-74.1	174.3	-14.5	0	0	111.8	T523 R524 H530 L531	T523-Q527 WeakPolarHBondContact O-CG 3.44Å; T523-Q527 PolarHBondContact O-N 3.04Å; R524-Q527 PolarHBondContact O-N 3.4Å; Q527-H530 WeakPolarHBondContact O-CB 3.43Å; Q527-H530 PolarHBondContact O-N 3Å; Q527-L531 WeakPolarHBondContact O-CG 3.48Å; Q527-L531 PolarHBondContact O-N 3.03Å
528	Q	74.1	Confident	67.7	Low	94 Å²	94	95.8 Å²	95.8	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-63.1	-42.7	175.2	-73.4	177.9	-12.8	0	0	112	R524 V525 H530 L531 H532	R524-Q528 WeakPolarHBondContact O-CG 3.37Å; R524-Q528 PolarHBondContact O-N 2.83Å; V525-Q528 PolarHBondContact O-N 2.73Å; Q528-H530 PolarHBondContact O-N 3.43Å; Q528-L531 PolarHBondContact O-N 2.87Å; Q528-H532 PolarHBondContact O-CD2 2.92Å; Q528-H532 PolarHBondContact O-N 3.3Å
529	A	68.4	Low	65.3	Low	13 Å²	13	94.6 Å²	94.6	11%	0.107	47%	0.474	C	S	.	.	H	α-helix	trans	-60.2	-37.5	175.5	0	0	0	0	0	112.2	V525 R526 H532 G533 K534 P537	V525-A529 WeakPolarHBondContact O-CB 3.43Å; V525-A529 PolarHBondContact O-N 2.82Å; R526-A529 PolarHBondContact O-N 3.41Å; A529-H532 CarbonylContact O-C 3.59Å; A529-H532 PolarHBondContact O-N 3.11Å; A529-G533 PolarHBondContact O-N 3.18Å; A529-K534 PolarHBondContact O-N 3.25Å; A529-K534 VanDerWaalsContact O-N 3.12Å; A529-P537 HydrophobicContact CB-CG 3.98Å
530	H	64.7	Low	62.8	Low	116 Å²	116	95.4 Å²	95.4	54%	0.537	49%	0.487	S	S	.	.	H	α-helix	trans	-69.4	-41.8	177.6	-145.5	-44	0	0	0	112.5	E453 R526 Q527 Q528 H532 G533	E453-H530 IonicContact OE2-NE2 2.71Å; R526-H530 WeakPolarHBondContact O-CB 3.32Å; R526-H530 PolarHBondContact O-N 3.43Å; Q527-H530 WeakPolarHBondContact O-CB 3.43Å; Q527-H530 PolarHBondContact O-N 3Å; Q528-H530 PolarHBondContact O-N 3.43Å; H530-H532 VanDerWaalsContact C-N 3.28Å; H530-H532 PolarHBondContact O-N 2.94Å; H530-G533 PolarHBondContact O-N 3.47Å
531	L	61.9	Low	60.6	Low	150 Å²	150	101.1 Å²	101.1	79%	0.785	52%	0.517	S	S	*	.	H	α-helix	trans	-63	-33.7	173.5	-72.7	168.7	0	0	0	112.2	Q527 Q528	Q527-L531 WeakPolarHBondContact O-CG 3.48Å; Q527-L531 PolarHBondContact O-N 3.03Å; Q528-L531 PolarHBondContact O-N 2.87Å
532	H	65.4	Low	58.2	Low	145 Å²	145	105.5 Å²	105.5	67%	0.671	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	6.5	178.5	-72.2	-62.6	0	0	0	114.6	Q528 A529 H530 K534	Q528-H532 PolarHBondContact O-CD2 2.92Å; Q528-H532 PolarHBondContact O-N 3.3Å; A529-H532 CarbonylContact O-C 3.59Å; A529-H532 PolarHBondContact O-N 3.11Å; H530-H532 VanDerWaalsContact C-N 3.28Å; H530-H532 PolarHBondContact O-N 2.94Å; H532-K534 PolarHBondContact O-N 3.05Å
533	G	56.3	Low	56	Low	72 Å²	72	107.4 Å²	107.4	74%	0.742	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.2	19.2	175.7	0	0	0	0	0	115.4	A529 H530	A529-G533 PolarHBondContact O-N 3.18Å; H530-G533 PolarHBondContact O-N 3.47Å
534	K	43.9	Very low	53.8	Low	158 Å²	158	107.3 Å²	107.3	69%	0.687	55%	0.551	S	S	*	*			trans	-98.5	123.1	-178.9	-68.1	-176.3	-179.1	178.4	0	110.4	A529 H532 S536	A529-K534 PolarHBondContact O-N 3.25Å; A529-K534 VanDerWaalsContact O-N 3.12Å; H532-K534 PolarHBondContact O-N 3.05Å; K534-S536 PolarHBondContact O-N 3.46Å; K534-S536 VanDerWaalsContact O-N 3.1Å
535	R	39.5	Very low	51.5	Low	244 Å²	244	108.2 Å²	108.2	92%	0.921	56%	0.559	S	S	*	*	S	Bend	trans	-60.1	112.5	168.8	-83.4	-178.3	174.5	173.8	-1.5	109.3
536	S	43	Very low	49.2	Very low	105 Å²	105	110 Å²	110	73%	0.734	57%	0.572	S	S	*	*			trans	33.6	96.6	164	44.8	0	0	0	0	116.7	K534	K534-S536 PolarHBondContact O-N 3.46Å; K534-S536 VanDerWaalsContact O-N 3.1Å
537	P	39.6	Very low	47.4	Very low	72 Å²	72	110.4 Å²	110.4	47%	0.468	58%	0.577	S	S	.	*			trans	-71.6	135.7	174.2	27.4	-31.1	0	0	0	111.7	V525 A529 L539	V525-P537 HydrophobicContact CG1-CG 4.4Å; A529-P537 HydrophobicContact CB-CG 3.98Å; P537-L539 PolarHBondContact O-N 3.07Å
538	I	37.2	Very low	45.6	Very low	172 Å²	172	111.8 Å²	111.8	88%	0.882	59%	0.587	S	S	*	*			trans	-62.4	118.3	171.1	-63	158.9	0	0	0	107.9	S540	I538-S540 PolarHBondContact O-N 3.38Å; I538-S540 VanDerWaalsContact O-N 3.14Å
539	L	40.1	Very low	43.7	Very low	99 Å²	99	112.5 Å²	112.5	52%	0.518	60%	0.602	S	S	.	*			trans	-66.6	108.6	-175.2	-129.5	98.1	0	0	0	110.2	P537	P537-L539 PolarHBondContact O-N 3.07Å
540	S	35	Very low	42	Very low	63 Å²	63	115.8 Å²	115.8	44%	0.441	62%	0.624	S	S	.	*			trans	-88.9	129	165.6	163.1	0	0	0	0	109.3	I538 N542 L543	I538-S540 PolarHBondContact O-N 3.38Å; I538-S540 VanDerWaalsContact O-N 3.14Å; S540-N542 PolarHBondContact O-N 3.43Å; S540-N542 PolarHBondContact OG-N 2.62Å; S540-L543 PolarHBondContact O-N 2.82Å
541	N	38.5	Very low	40.2	Very low	138 Å²	138	113.7 Å²	113.7	74%	0.738	63%	0.634	S	S	*	*	H	α-helix	trans	-52.7	-14.7	177.5	-86.6	-15.7	0	0	0	114.5
542	N	36.2	Very low	38.5	Very low	115 Å²	115	110.5 Å²	110.5	62%	0.615	63%	0.629	S	S	*	*	H	α-helix	trans	-82	-25.3	-176.1	-67.2	-15.7	0	0	0	113.8	S540 K545	S540-N542 PolarHBondContact O-N 3.43Å; S540-N542 PolarHBondContact OG-N 2.62Å; N542-K545 PolarHBondContact O-N 3.1Å
543	L	40.2	Very low	36.5	Very low	91 Å²	91	111.6 Å²	111.6	48%	0.476	64%	0.635	S	S	.	*	H	α-helix	trans	-68	-37.1	179	-110.5	106.6	0	0	0	112	S540 K545 S546 F547	S540-L543 PolarHBondContact O-N 2.82Å; L543-K545 VanDerWaalsContact C-N 3.33Å; L543-K545 PolarHBondContact O-N 3.35Å; L543-S546 PolarHBondContact O-OG 3.43Å; L543-S546 VanDerWaalsContact O-OG 3.14Å; L543-F547 HydrophobicContact CD2-CE2 4.31Å; L543-F547 WeakPolarHBondContact O-CD2 3.32Å
544	C	34.9	Very low	35	Very low	41 Å²	41	116.3 Å²	116.3	28%	0.277	64%	0.637	S	S	.	*	H	α-helix	trans	-68	-31	178.3	-87.1	0	0	0	0	112.9	I548	C544-I548 WeakPolarHBondContact O-CD1 3.34Å; C544-I548 VanDerWaalsContact O-CG1 3.3Å; C544-I548 WeakPolarHBondContact O-CG1 3.3Å; C544-I548 PolarHBondContact O-N 3.19Å
545	K	33.4	Very low	34	Very low	151 Å²	151	116.7 Å²	116.7	66%	0.657	65%	0.647	S	S	*	*	H	α-helix	trans	-71.6	-36	-178.2	-75.7	-176.8	178.1	179.6	0	113.1	N542 L543 F547 I548	N542-K545 PolarHBondContact O-N 3.1Å; L543-K545 VanDerWaalsContact C-N 3.33Å; L543-K545 PolarHBondContact O-N 3.35Å; K545-F547 VanDerWaalsContact C-N 3.29Å; K545-F547 PolarHBondContact O-N 2.98Å; K545-I548 PolarHBondContact O-N 2.86Å
546	S	34.4	Very low	33.2	Very low	69 Å²	69	110.9 Å²	110.9	48%	0.483	64%	0.638	S	S	.	*	H	α-helix	trans	-68.8	-28.4	180	61.7	0	0	0	0	113	L543 S550	L543-S546 PolarHBondContact O-OG 3.43Å; L543-S546 VanDerWaalsContact O-OG 3.14Å; S546-S550 PolarHBondContact O-OG 3.04Å
547	F	37.1	Very low	32.1	Very low	115 Å²	115	111.9 Å²	111.9	50%	0.504	65%	0.645	S	S	.	*	H	α-helix	trans	-85.3	-23.5	178.6	-72.9	-70.4	0	0	0	114.1	L543 K545 S549 S550	L543-F547 HydrophobicContact CD2-CE2 4.31Å; L543-F547 WeakPolarHBondContact O-CD2 3.32Å; K545-F547 VanDerWaalsContact C-N 3.29Å; K545-F547 PolarHBondContact O-N 2.98Å; F547-S549 PolarHBondContact O-N 3.04Å; F547-S550 PolarHBondContact O-N 3.37Å
548	I	34.6	Very low	31.4	Very low	125 Å²	125	114.4 Å²	114.4	64%	0.641	66%	0.659	S	S	*	*	H	α-helix	trans	-64.8	-27.8	173	-67.9	163.5	0	0	0	110.9	C544 K545	C544-I548 WeakPolarHBondContact O-CD1 3.34Å; C544-I548 VanDerWaalsContact O-CG1 3.3Å; C544-I548 WeakPolarHBondContact O-CG1 3.3Å; C544-I548 PolarHBondContact O-N 3.19Å; K545-I548 PolarHBondContact O-N 2.86Å
549	S	34.6	Very low	30.5	Very low	108 Å²	108	115.9 Å²	115.9	76%	0.755	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-17.5	-178.7	-176.7	0	0	0	0	114.8	F547	F547-S549 PolarHBondContact O-N 3.04Å
550	S	31.3	Very low	29.6	Very low	82 Å²	82	119 Å²	119	57%	0.573	68%	0.676	S	S	*	*	S	Bend	trans	-113.7	6.8	-168.8	28.2	0	0	0	0	114.1	S546 F547	S546-S550 PolarHBondContact O-OG 3.04Å; F547-S550 PolarHBondContact O-N 3.37Å
551	G	27	Very low	28.9	Very low	73 Å²	73	125 Å²	125	75%	0.753	70%	0.697	S	S	*	*			trans	-82.5	-4	-179.9	0	0	0	0	0	116.1
552	A	26.7	Very low	28.1	Very low	82 Å²	82	124.9 Å²	124.9	68%	0.678	70%	0.701	S	S	*	*	S	Bend	trans	-100.7	85.7	169.6	0	0	0	0	0	107.7
553	H	23.5	Very low	27.5	Very low	169 Å²	169	124.6 Å²	124.6	78%	0.782	71%	0.705	S	S	*	*	S	Bend	trans	168.7	114.5	146.5	-90.6	-72.1	0	0	0	110.6
554	E	25.3	Very low	26.7	Very low	170 Å²	170	126.3 Å²	126.3	79%	0.794	72%	0.722	S	S	*	*			trans	57.2	121.5	145.5	-73.1	174.4	148.4	0	0	123	T556	E554-T556 PolarHBondContact O-N 3.28Å
555	N	21.9	Very low	26.1	Very low	166 Å²	166	130.2 Å²	130.2	89%	0.888	75%	0.749	S	S	*	*			trans	-20.9	100.7	153.1	-63.4	-25.3	0	0	0	116.1
556	T	22.7	Very low	25.7	Very low	122 Å²	122	126.4 Å²	126.4	75%	0.748	75%	0.753	S	S	*	*			trans	-119.9	106.9	152.9	40.9	0	0	0	0	110	E554 V558	E554-T556 PolarHBondContact O-N 3.28Å; T556-V558 PolarHBondContact O-N 2.74Å
557	S	21	Very low	25.1	Very low	126 Å²	126	130.9 Å²	130.9	88%	0.881	77%	0.77	S	S	*	*			trans	-58.5	106.6	167.7	43.7	0	0	0	0	110.7
558	V	23.8	Very low	24.5	Very low	126 Å²	126	133 Å²	133	76%	0.764	79%	0.785	S	S	*	*			trans	-88.9	116.5	172.8	178.3	0	0	0	0	108.9	T556	T556-V558 PolarHBondContact O-N 2.74Å
559	K	18	Very low	23.9	Very low	202 Å²	202	138 Å²	138	88%	0.878	80%	0.796	S	S	*	*			trans	-65.9	126.1	169.4	-96.8	174.8	170.8	177	0	109.5
560	L	22.2	Very low	23.2	Very low	165 Å²	165	140.1 Å²	140.1	86%	0.864	80%	0.798	S	S	*	*			trans	-80.9	115.3	172.7	-84.6	138.9	0	0	0	109.8
561	E	19.3	Very low	22.8	Very low	190 Å²	190	142.2 Å²	142.2	89%	0.888	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-87.4	127.3	164.2	-75.4	-179	161.5	0	0	109.6
562	V	21.8	Very low	22.5	Very low	134 Å²	134	143.9 Å²	143.9	81%	0.812	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-90.4	123.3	-177.1	-178.5	0	0	0	0	109.1
563	P	24.4	Very low	22.4	Very low	110 Å²	110	148 Å²	148	71%	0.714	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-82.6	154.9	177.2	32.6	-31.9	0	0	0	111.8
564	P	22.5	Very low	22.3	Very low	127 Å²	127	146.6 Å²	146.6	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-82.8	147.3	-166.4	31.5	-30.9	0	0	0	113.6	G566	P564-G566 PolarHBondContact O-N 3.11Å
565	S	22.2	Very low	22.1	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	82%	0.818	S	S	*	*			trans	-52.2	115	-178.6	44.8	0	0	0	0	115
566	G	25.1	Very low	22.1	Very low	71 Å²	71	144 Å²	144	73%	0.732	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-100.8	121.2	167.9	0	0	0	0	0	111.9	P564	P564-G566 PolarHBondContact O-N 3.11Å
567	I	22.7	Very low	22.3	Very low	163 Å²	163	145.9 Å²	145.9	84%	0.836	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-54.8	121.1	-173.9	-65.5	155.5	0	0	0	113.3
568	I	23.7	Very low	22.3	Very low	159 Å²	159	148.5 Å²	148.5	82%	0.815	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-86.1	118.3	169.5	-64.1	172.8	0	0	0	108.3
569	R	21.6	Very low	22.4	Very low	232 Å²	232	149.6 Å²	149.6	88%	0.875	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.1	128.3	172	-84.8	-179.8	172.7	166.7	-2.5	110.1
570	N	20.2	Very low	22.7	Very low	151 Å²	151	147.2 Å²	147.2	81%	0.807	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-55.1	138.9	167.5	-70.2	-26.4	0	0	0	111.6
571	S	23.7	Very low	23	Very low	127 Å²	127	146 Å²	146	89%	0.888	81%	0.809	S	S	*	*			trans	-142.4	90	154.7	-77.4	0	0	0	0	108.1
572	S	21.2	Very low	23.3	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	81%	0.811	S	S	*	*			trans	-80.2	123.3	158.9	50.3	0	0	0	0	109.4
573	M	23.6	Very low	23.6	Very low	167 Å²	167	144.1 Å²	144.1	82%	0.823	80%	0.801	S	S	*	*			trans	-159	108.5	149.6	-102	-157.4	167	0	0	107.4
574	L	21.7	Very low	23.7	Very low	141 Å²	141	144.7 Å²	144.7	74%	0.738	80%	0.795	S	S	*	*				70.4	96.4	109.1	-74.1	166	0	0	0	111.9
575	L	20.5	Very low	24	Very low	153 Å²	153	146.3 Å²	146.3	80%	0.801	79%	0.791	S	S	*	*				39.6	104.5	79.4	-72.9	167.2	0	0	0	112.9
576	T	22.6	Very low	24.3	Very low	129 Å²	129	146.4 Å²	146.4	79%	0.791	79%	0.787	S	S	*	*				162.2	119.7	118	46.2	0	0	0	0	110.2
577	N	26	Very low	24.5	Very low	160 Å²	160	147.7 Å²	147.7	86%	0.856	78%	0.78	S	S	*	*				-177.7	96.5	118.5	-106.8	-6.8	0	0	0	110.3
578	E	22.2	Very low	24.9	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	76%	0.764	S	S	*	*			trans	-74.5	117.2	152.6	-71	175.2	139	0	0	107.2
579	N	24.8	Very low	25.3	Very low	150 Å²	150	140.8 Å²	140.8	80%	0.802	75%	0.753	S	S	*	*			trans	170.1	86.3	150.8	-86.7	-21.2	0	0	0	107.3
580	D	25.1	Very low	26	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	74%	0.735	S	S	*	*	S	Bend	trans	-174.7	26	154	-98.9	-15.4	0	0	0	115.6
581	L	27.5	Very low	26.5	Very low	139 Å²	139	127.6 Å²	127.6	73%	0.728	71%	0.713	S	S	*	*			trans	-113.8	5	-174.6	-93.8	148.2	0	0	0	116.5
582	Q	25.7	Very low	27	Very low	197 Å²	197	126.4 Å²	126.4	92%	0.921	70%	0.695	S	S	*	*	S	Bend	trans	-94.5	2.9	178.5	-100.3	178.1	-2.2	0	0	116.2
583	S	28.3	Very low	27.8	Very low	88 Å²	88	126.3 Å²	126.3	62%	0.615	69%	0.685	S	S	*	*	S	Bend	trans	-109.5	-3.4	177.6	63.5	0	0	0	0	115.5
584	Q	27.6	Very low	28.5	Very low	122 Å²	122	122.9 Å²	122.9	57%	0.57	67%	0.674	S	S	*	*	S	Bend	trans	-103.4	-10.2	-177.7	-72.6	-169.1	0.5	0	0	115.6	T586 I588	Q584-T586 PolarHBondContact O-N 3.25Å; Q584-I588 WeakPolarHBondContact O-CG1 3.32Å
585	Q	27.4	Very low	29	Very low	161 Å²	161	122.1 Å²	122.1	75%	0.752	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-13	-173.4	-94.5	174.5	-10.4	0	0	115.7
586	T	28.7	Very low	29.7	Very low	125 Å²	125	123.3 Å²	123.3	77%	0.767	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-21	179.4	47.3	0	0	0	0	114.1	Q584	Q584-T586 PolarHBondContact O-N 3.25Å
587	T	30	Very low	30.2	Very low	97 Å²	97	123.4 Å²	123.4	60%	0.595	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-27.5	-176.7	-37.9	0	0	0	0	113.3	S590	T587-S590 PolarHBondContact O-OG 3.22Å
588	I	30.8	Very low	30.7	Very low	94 Å²	94	120 Å²	120	48%	0.482	64%	0.639	S	S	.	*	H	α-helix	trans	-73.7	-32.5	-173.8	-63.2	174.4	0	0	0	111.9	Q584 S590 I592	Q584-I588 WeakPolarHBondContact O-CG1 3.32Å; I588-S590 PolarHBondContact O-N 3.06Å; I588-I592 HydrophobicContact CG2-CD1 3.45Å; I588-I592 VanDerWaalsContact CG2-CD1 3.45Å; I588-I592 HydrophobicContact CG2-CG1 4.12Å; I588-I592 WeakPolarHBondContact O-CG1 3.5Å; I588-I592 PolarHBondContact O-N 2.73Å
589	S	32.6	Very low	31.3	Very low	84 Å²	84	119.2 Å²	119.2	59%	0.587	63%	0.632	S	S	*	*	H	α-helix	trans	-68.4	-31.1	-179.7	-95.7	0	0	0	0	113.9	I593	S589-I593 VanDerWaalsContact O-CD1 3.24Å; S589-I593 WeakPolarHBondContact O-CD1 3.45Å; S589-I593 VanDerWaalsContact O-CG1 3.23Å; S589-I593 WeakPolarHBondContact O-CG1 3.44Å
590	S	36.4	Very low	31.8	Very low	73 Å²	73	117.5 Å²	117.5	51%	0.51	62%	0.623	S	S	.	*	H	α-helix	trans	-82.8	-35.1	179.3	58.5	0	0	0	0	112.6	T587 I588 T594	T587-S590 PolarHBondContact O-OG 3.22Å; I588-S590 PolarHBondContact O-N 3.06Å; S590-T594 PolarHBondContact O-N 3.37Å; S590-T594 PolarHBondContact O-OG1 3.48Å
591	G	30.5	Very low	32.2	Very low	32 Å²	32	113.8 Å²	113.8	33%	0.33	60%	0.6	S	S	.	*	H	α-helix	trans	-70.5	-41.9	179.9	0	0	0	0	0	113.8	T594 Q595	G591-T594 PolarHBondContact O-OG1 3.4Å; G591-T594 VanDerWaalsContact O-OG1 3.09Å; G591-Q595 VanDerWaalsContact O-CB 3.24Å; G591-Q595 WeakPolarHBondContact O-CB 3.45Å; G591-Q595 PolarHBondContact O-N 3.48Å
592	I	34.4	Very low	32.7	Very low	102 Å²	102	113 Å²	113	52%	0.523	61%	0.607	S	S	.	*	H	α-helix	trans	-69.7	-40.5	-179.7	-64.9	178	0	0	0	110.7	I588 T594 Q595 W596	I588-I592 HydrophobicContact CG2-CD1 3.45Å; I588-I592 VanDerWaalsContact CG2-CD1 3.45Å; I588-I592 HydrophobicContact CG2-CG1 4.12Å; I588-I592 WeakPolarHBondContact O-CG1 3.5Å; I588-I592 PolarHBondContact O-N 2.73Å; I592-T594 VanDerWaalsContact C-N 3.35Å; I592-T594 PolarHBondContact O-N 3.44Å; I592-Q595 PolarHBondContact O-N 2.98Å; I592-W596 WeakPolarHBondContact O-CB 3.23Å; I592-W596 PolarHBondContact O-N 3.43Å
593	I	36.8	Very low	33.3	Very low	106 Å²	106	107.5 Å²	107.5	54%	0.544	60%	0.602	S	S	.	*	H	α-helix	trans	-65.7	-39.2	179.8	-65.1	173.8	0	0	0	111.1	S589 K597	S589-I593 VanDerWaalsContact O-CD1 3.24Å; S589-I593 WeakPolarHBondContact O-CD1 3.45Å; S589-I593 VanDerWaalsContact O-CG1 3.23Å; S589-I593 WeakPolarHBondContact O-CG1 3.44Å; I593-K597 WeakPolarHBondContact O-CB 3.31Å; I593-K597 WeakPolarHBondContact O-CG 3.46Å; I593-K597 PolarHBondContact O-N 2.89Å; I593-K597 VanDerWaalsContact O-N 3.16Å
594	T	38.8	Very low	33.7	Very low	95 Å²	95	111.4 Å²	111.4	58%	0.583	60%	0.604	S	S	*	*	H	α-helix	trans	-73.4	-39.2	178	43	0	0	0	0	112.6	S590 G591 I592 K597 S598	S590-T594 PolarHBondContact O-N 3.37Å; S590-T594 PolarHBondContact O-OG1 3.48Å; G591-T594 PolarHBondContact O-OG1 3.4Å; G591-T594 VanDerWaalsContact O-OG1 3.09Å; I592-T594 VanDerWaalsContact C-N 3.35Å; I592-T594 PolarHBondContact O-N 3.44Å; T594-K597 PolarHBondContact O-N 3.09Å; T594-S598 PolarHBondContact O-N 3.42Å
595	Q	32.9	Very low	34.5	Very low	126 Å²	126	109.5 Å²	109.5	59%	0.589	60%	0.597	S	S	*	*	H	α-helix	trans	-74.1	-30.6	178.9	-157.4	173.5	24.7	0	0	112.8	G591 I592 S598 K599	G591-Q595 VanDerWaalsContact O-CB 3.24Å; G591-Q595 WeakPolarHBondContact O-CB 3.45Å; G591-Q595 PolarHBondContact O-N 3.48Å; I592-Q595 PolarHBondContact O-N 2.98Å; Q595-S598 PolarHBondContact O-N 3.48Å; Q595-S598 PolarHBondContact O-OG 2.99Å; Q595-K599 PolarHBondContact O-N 3.38Å
596	W	34.2	Very low	35.5	Very low	178 Å²	178	108 Å²	108	67%	0.674	60%	0.595	S	S	*	*	H	α-helix	trans	-72.6	-35.8	174.2	-156.5	85	0	0	0	111.9	I592 S598	I592-W596 WeakPolarHBondContact O-CB 3.23Å; I592-W596 PolarHBondContact O-N 3.43Å; W596-S598 VanDerWaalsContact C-N 3.32Å; W596-S598 PolarHBondContact O-N 2.83Å
597	K	33.7	Very low	36.4	Very low	131 Å²	131	106 Å²	106	57%	0.57	58%	0.582	S	S	*	*	H	α-helix	trans	-63.7	-32.5	172	-81.2	-169.1	176.6	-159.1	0	113	I593 T594 E612	I593-K597 WeakPolarHBondContact O-CB 3.31Å; I593-K597 WeakPolarHBondContact O-CG 3.46Å; I593-K597 PolarHBondContact O-N 2.89Å; I593-K597 VanDerWaalsContact O-N 3.16Å; T594-K597 PolarHBondContact O-N 3.09Å; K597-E612 IonicContact NZ-OE1 3.13Å
598	S	37.5	Very low	37.8	Very low	88 Å²	88	103 Å²	103	62%	0.615	57%	0.565	S	S	*	*	H	α-helix	trans	-85	-30.3	-174.9	87	0	0	0	0	115	T594 Q595 W596	T594-S598 PolarHBondContact O-N 3.42Å; Q595-S598 PolarHBondContact O-N 3.48Å; Q595-S598 PolarHBondContact O-OG 2.99Å; W596-S598 VanDerWaalsContact C-N 3.32Å; W596-S598 PolarHBondContact O-N 2.83Å
599	K	33.7	Very low	39	Very low	164 Å²	164	104.2 Å²	104.2	71%	0.713	57%	0.569	S	S	*	*	H	α-helix	trans	-83.2	-24.5	-170.8	-99.3	-175.9	174.7	-180	0	115.9	Q595	Q595-K599 PolarHBondContact O-N 3.38Å
600	N	35.8	Very low	40.2	Very low	114 Å²	114	105.4 Å²	105.4	61%	0.61	57%	0.568	S	S	*	*	S	Bend	trans	-113.5	10.8	-169.9	-80.4	-14	0	0	0	115.6
601	F	33.1	Very low	41.5	Very low	73 Å²	73	105.1 Å²	105.1	32%	0.32	56%	0.563	S	S	.	*			trans	-132.6	75.4	-178.5	-88.2	-95.9	0	0	0	111.1	R604 N605	F601-R604 HydrophobicContact CD1-CB 3.47Å; F601-R604 VanDerWaalsContact CD1-CB 3.47Å; F601-R604 HydrophobicContact CE1-CB 3.47Å; F601-R604 VanDerWaalsContact CE1-CB 3.47Å; F601-R604 HydrophobicContact CE1-CG 4.32Å; F601-N605 PolarHBondContact O-OD1 2.92Å
602	S	37.4	Very low	43.4	Very low	124 Å²	124	108.3 Å²	108.3	87%	0.867	57%	0.57	S	S	*	*	S	Bend	trans	-113	2.8	166.3	102.5	0	0	0	0	113.9
603	G	38.2	Very low	45.1	Very low	81 Å²	81	106.9 Å²	106.9	84%	0.835	57%	0.565	S	S	*	*	S	Bend	trans	-139.8	6	178.6	0	0	0	0	0	115.4
604	R	37.4	Very low	46.5	Very low	169 Å²	169	106.7 Å²	106.7	64%	0.638	57%	0.565	S	S	*	*			trans	-121	5.1	-177.3	-107.9	-175.1	-175.8	179.7	2.1	114	F601 D606 T607 S608	F601-R604 HydrophobicContact CD1-CB 3.47Å; F601-R604 VanDerWaalsContact CD1-CB 3.47Å; F601-R604 HydrophobicContact CE1-CB 3.47Å; F601-R604 VanDerWaalsContact CE1-CB 3.47Å; F601-R604 HydrophobicContact CE1-CG 4.32Å; R604-D606 VanDerWaalsContact C-N 3.34Å; R604-D606 PolarHBondContact O-N 3.35Å; R604-T607 PolarHBondContact O-N 3.32Å; R604-T607 VanDerWaalsContact O-N 3.09Å; R604-T607 PolarHBondContact O-OG1 3.43Å; R604-S608 PolarHBondContact O-N 2.97Å; R604-S608 PolarHBondContact O-OG 3.26Å
605	N	45.1	Very low	48.2	Very low	82 Å²	82	106.8 Å²	106.8	44%	0.439	56%	0.562	S	S	.	*	H	α-helix	trans	-57.7	-40.6	-167.4	-72.1	-0.9	0	0	0	113.4	F601 T607 S608 Q609	F601-N605 PolarHBondContact O-OD1 2.92Å; N605-T607 PolarHBondContact O-N 3.42Å; N605-S608 WeakPolarHBondContact CA-OG 2.89Å; N605-S608 PolarHBondContact O-N 3.4Å; N605-S608 PolarHBondContact O-OG 2.88Å; N605-Q609 WeakPolarHBondContact O-CB 3.34Å; N605-Q609 PolarHBondContact O-N 3.37Å
606	D	47.4	Very low	50.3	Low	130 Å²	130	106.6 Å²	106.6	70%	0.695	56%	0.561	S	S	*	*	H	α-helix	trans	-66.4	-38.4	-179.9	-63.8	-7.1	0	0	0	112.2	R604 L610	R604-D606 VanDerWaalsContact C-N 3.34Å; R604-D606 PolarHBondContact O-N 3.35Å; D606-L610 WeakPolarHBondContact O-CB 3.24Å; D606-L610 PolarHBondContact O-N 3.06Å
607	T	48.7	Very low	52.2	Low	82 Å²	82	104 Å²	104	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-75.1	-38.1	179.3	58.2	0	0	0	0	112.8	R604 N605 Q609 L610 V611	R604-T607 PolarHBondContact O-N 3.32Å; R604-T607 VanDerWaalsContact O-N 3.09Å; R604-T607 PolarHBondContact O-OG1 3.43Å; N605-T607 PolarHBondContact O-N 3.42Å; T607-Q609 VanDerWaalsContact C-N 3.35Å; T607-L610 PolarHBondContact O-N 3.32Å; T607-V611 VanDerWaalsContact O-CG2 3.31Å; T607-V611 WeakPolarHBondContact O-CG2 3.23Å; T607-V611 PolarHBondContact O-N 3.45Å
608	S	57.5	Low	54	Low	34 Å²	34	100 Å²	100	24%	0.238	55%	0.546	C	S	.	.	H	α-helix	trans	-68.4	-36.9	174.7	46.6	0	0	0	0	111.8	R604 N605 L610 V611 E612	R604-S608 PolarHBondContact O-N 2.97Å; R604-S608 PolarHBondContact O-OG 3.26Å; N605-S608 WeakPolarHBondContact CA-OG 2.89Å; N605-S608 PolarHBondContact O-N 3.4Å; N605-S608 PolarHBondContact O-OG 2.88Å; S608-L610 VanDerWaalsContact C-N 3.33Å; S608-V611 PolarHBondContact O-N 3.1Å; S608-E612 WeakPolarHBondContact O-CB 3.37Å; S608-E612 PolarHBondContact O-N 3.24Å
609	Q	56.1	Low	55.9	Low	120 Å²	120	100.8 Å²	100.8	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-68.4	-36	176.7	-155.7	172.7	20.8	0	0	111	N605 T607 T613	N605-Q609 WeakPolarHBondContact O-CB 3.34Å; N605-Q609 PolarHBondContact O-N 3.37Å; T607-Q609 VanDerWaalsContact C-N 3.35Å; Q609-T613 WeakPolarHBondContact O-CB 3.46Å; Q609-T613 VanDerWaalsContact O-CG2 3.31Å; Q609-T613 WeakPolarHBondContact O-CG2 3.45Å; Q609-T613 PolarHBondContact O-N 2.98Å; Q609-T613 PolarHBondContact O-OG1 3.43Å
610	L	58.2	Low	57.8	Low	109 Å²	109	101.8 Å²	101.8	57%	0.571	54%	0.543	S	S	*	.	H	α-helix	trans	-63.6	-39.6	169.7	-116.2	163.7	0	0	0	112.7	D606 T607 S608 T613 L614	D606-L610 WeakPolarHBondContact O-CB 3.24Å; D606-L610 PolarHBondContact O-N 3.06Å; T607-L610 PolarHBondContact O-N 3.32Å; S608-L610 VanDerWaalsContact C-N 3.33Å; L610-T613 VanDerWaalsContact CA-OG1 3.27Å; L610-T613 WeakPolarHBondContact CA-OG1 3.09Å; L610-T613 PolarHBondContact O-OG1 3.39Å; L610-L614 HydrophobicContact CD2-CD1 4.46Å; L610-L614 WeakPolarHBondContact O-CB 3.3Å; L610-L614 VanDerWaalsContact O-CG 3.27Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.18Å
611	V	65.1	Low	59.5	Low	68 Å²	68	103 Å²	103	41%	0.412	54%	0.539	S	S	.	.	H	α-helix	trans	-69.6	-45.5	176.3	172.7	0	0	0	0	111.1	T607 S608 T613 L614 D615	T607-V611 VanDerWaalsContact O-CG2 3.31Å; T607-V611 WeakPolarHBondContact O-CG2 3.23Å; T607-V611 PolarHBondContact O-N 3.45Å; S608-V611 PolarHBondContact O-N 3.1Å; V611-T613 VanDerWaalsContact C-N 3.31Å; V611-T613 PolarHBondContact O-N 3.18Å; V611-L614 PolarHBondContact O-N 2.9Å; V611-L614 VanDerWaalsContact O-N 3.17Å; V611-D615 PolarHBondContact O-N 3.41Å
612	E	68.8	Low	61.3	Low	99 Å²	99	105.7 Å²	105.7	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-61.7	-38.5	175.7	-84.2	-176.1	162.6	0	0	111.8	K597 S608 D615 Q616	K597-E612 IonicContact NZ-OE1 3.13Å; S608-E612 WeakPolarHBondContact O-CB 3.37Å; S608-E612 PolarHBondContact O-N 3.24Å; E612-D615 PolarHBondContact O-N 3.45Å; E612-Q616 WeakPolarHBondContact O-CB 3.48Å; E612-Q616 VanDerWaalsContact O-CG 3.23Å; E612-Q616 WeakPolarHBondContact O-CG 3.4Å; E612-Q616 PolarHBondContact O-N 3.28Å
613	T	70.3	Confident	63.2	Low	71 Å²	71	103.6 Å²	103.6	44%	0.436	54%	0.535	S	S	.	.	H	α-helix	trans	-68.9	-35	175.1	46.3	0	0	0	0	112.5	Q609 L610 V611 F617	Q609-T613 WeakPolarHBondContact O-CB 3.46Å; Q609-T613 VanDerWaalsContact O-CG2 3.31Å; Q609-T613 WeakPolarHBondContact O-CG2 3.45Å; Q609-T613 PolarHBondContact O-N 2.98Å; Q609-T613 PolarHBondContact O-OG1 3.43Å; L610-T613 VanDerWaalsContact CA-OG1 3.27Å; L610-T613 WeakPolarHBondContact CA-OG1 3.09Å; L610-T613 PolarHBondContact O-OG1 3.39Å; V611-T613 VanDerWaalsContact C-N 3.31Å; V611-T613 PolarHBondContact O-N 3.18Å; T613-F617 VanDerWaalsContact O-CB 3.3Å; T613-F617 WeakPolarHBondContact O-CB 3.4Å; T613-F617 PolarHBondContact O-N 3.43Å
614	L	67.2	Low	65	Low	102 Å²	102	103.1 Å²	103.1	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-68.5	-41.2	172.7	-77	169.5	0	0	0	112.3	L610 V611 F617 A618	L610-L614 HydrophobicContact CD2-CD1 4.46Å; L610-L614 WeakPolarHBondContact O-CB 3.3Å; L610-L614 VanDerWaalsContact O-CG 3.27Å; L610-L614 WeakPolarHBondContact O-CG 3.43Å; L610-L614 PolarHBondContact O-N 3.18Å; V611-L614 PolarHBondContact O-N 2.9Å; V611-L614 VanDerWaalsContact O-N 3.17Å; L614-F617 WeakPolarHBondContact O-CB 3.49Å; L614-F617 PolarHBondContact O-N 3.02Å; L614-A618 PolarHBondContact O-N 3.2Å
615	D	75.1	Confident	66.7	Low	97 Å²	97	99.7 Å²	99.7	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-43.9	176.1	-77.9	-10.2	0	0	0	110.8	V611 E612 F617 A618 D619	V611-D615 PolarHBondContact O-N 3.41Å; E612-D615 PolarHBondContact O-N 3.45Å; D615-F617 VanDerWaalsContact C-N 3.28Å; D615-F617 PolarHBondContact O-N 2.89Å; D615-A618 WeakPolarHBondContact O-CB 3.43Å; D615-A618 PolarHBondContact O-N 3.16Å; D615-A618 VanDerWaalsContact O-N 3.13Å; D615-D619 PolarHBondContact O-N 2.93Å
616	Q	75.6	Confident	68.4	Low	123 Å²	123	102.2 Å²	102.2	58%	0.575	52%	0.517	S	S	*	.	H	α-helix	trans	-61	-36.6	172.9	-76.1	176.6	7.4	0	0	112.5	E612 R620	E612-Q616 WeakPolarHBondContact O-CB 3.48Å; E612-Q616 VanDerWaalsContact O-CG 3.23Å; E612-Q616 WeakPolarHBondContact O-CG 3.4Å; E612-Q616 PolarHBondContact O-N 3.28Å; Q616-R620 WeakPolarHBondContact O-CB 3.46Å; Q616-R620 WeakPolarHBondContact O-CG 3.3Å; Q616-R620 PolarHBondContact O-N 2.74Å; Q616-R620 VanDerWaalsContact O-N 3.11Å
617	F	74	Confident	70	Confident	122 Å²	122	100.7 Å²	100.7	54%	0.535	51%	0.509	S	S	.	.	H	α-helix	trans	-66.1	-43.5	174.1	-178.1	-93.8	0	0	0	110.9	T613 L614 D615 R620 W621	T613-F617 VanDerWaalsContact O-CB 3.3Å; T613-F617 WeakPolarHBondContact O-CB 3.4Å; T613-F617 PolarHBondContact O-N 3.43Å; L614-F617 WeakPolarHBondContact O-CB 3.49Å; L614-F617 PolarHBondContact O-N 3.02Å; D615-F617 VanDerWaalsContact C-N 3.28Å; D615-F617 PolarHBondContact O-N 2.89Å; F617-R620 PolarHBondContact O-N 3.11Å; F617-W621 HydrophobicContact CE1-CG 4.48Å; F617-W621 WeakPolarHBondContact O-CB 3.35Å; F617-W621 PolarHBondContact O-N 3.38Å
618	A	71.6	Confident	71.2	Confident	48 Å²	48	100.7 Å²	100.7	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-47.1	176.8	0	0	0	0	0	112.3	L614 D615 R620 W621 E622	L614-A618 PolarHBondContact O-N 3.2Å; D615-A618 WeakPolarHBondContact O-CB 3.43Å; D615-A618 PolarHBondContact O-N 3.16Å; D615-A618 VanDerWaalsContact O-N 3.13Å; A618-R620 VanDerWaalsContact C-N 3.34Å; A618-R620 PolarHBondContact O-N 2.77Å; A618-W621 CarbonylContact O-C 3.6Å; A618-W621 WeakPolarHBondContact O-CA 3.35Å; A618-W621 WeakPolarHBondContact O-CB 3.33Å; A618-W621 PolarHBondContact O-N 2.7Å; A618-E622 PolarHBondContact O-N 2.92Å
619	D	76.7	Confident	72.3	Confident	105 Å²	105	103.4 Å²	103.4	56%	0.561	52%	0.521	S	S	*	.	H	α-helix	trans	-61.2	-41.4	177.1	-81.1	-8.9	0	0	0	112.2	D615 W621 E622 T623	D615-D619 PolarHBondContact O-N 2.93Å; D619-W621 VanDerWaalsContact C-N 3.29Å; D619-W621 PolarHBondContact O-N 2.98Å; D619-E622 PolarHBondContact O-N 3.08Å; D619-T623 PolarHBondContact O-N 2.85Å; D619-T623 PolarHBondContact O-OG1 2.87Å
620	R	74.6	Confident	73.5	Confident	185 Å²	185	103.7 Å²	103.7	70%	0.698	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-39	173.1	-81.4	-178.7	160.7	-161	-4.2	111.5	Q616 F617 A618 T623 I624	Q616-R620 WeakPolarHBondContact O-CB 3.46Å; Q616-R620 WeakPolarHBondContact O-CG 3.3Å; Q616-R620 PolarHBondContact O-N 2.74Å; Q616-R620 VanDerWaalsContact O-N 3.11Å; F617-R620 PolarHBondContact O-N 3.11Å; A618-R620 VanDerWaalsContact C-N 3.34Å; A618-R620 PolarHBondContact O-N 2.77Å; R620-T623 PolarHBondContact O-N 3.2Å; R620-I624 WeakPolarHBondContact O-CG1 3.49Å; R620-I624 PolarHBondContact O-N 3.01Å
621	W	70.6	Confident	74.6	Confident	139 Å²	139	101.1 Å²	101.1	53%	0.527	51%	0.511	S	S	.	.	H	α-helix	trans	-69.6	-39.9	179.5	-136.6	-141.1	0	0	0	112.5	F617 A618 D619 T623 I624 L625	F617-W621 HydrophobicContact CE1-CG 4.48Å; F617-W621 WeakPolarHBondContact O-CB 3.35Å; F617-W621 PolarHBondContact O-N 3.38Å; A618-W621 CarbonylContact O-C 3.6Å; A618-W621 WeakPolarHBondContact O-CA 3.35Å; A618-W621 WeakPolarHBondContact O-CB 3.33Å; A618-W621 PolarHBondContact O-N 2.7Å; D619-W621 VanDerWaalsContact C-N 3.29Å; D619-W621 PolarHBondContact O-N 2.98Å; W621-T623 VanDerWaalsContact C-N 3.33Å; W621-T623 PolarHBondContact O-N 3.46Å; W621-I624 HydrophobicContact CE3-CB 4.18Å; W621-I624 HydrophobicContact CE3-CD1 3.64Å; W621-I624 HydrophobicContact CE3-CG1 4.47Å; W621-I624 HydrophobicContact CE3-CG2 4.36Å; W621-I624 HydrophobicContact CZ3-CB 4.31Å; W621-I624 HydrophobicContact CZ3-CD1 3.53Å; W621-I624 HydrophobicContact CZ3-CG1 4.5Å; W621-I624 HydrophobicContact CZ3-CG2 4.05Å; W621-I624 PolarHBondContact O-N 2.76Å; W621-L625 WeakPolarHBondContact O-CB 3.21Å; W621-L625 WeakPolarHBondContact O-CG 3.2Å; W621-L625 PolarHBondContact O-N 3.27Å
622	E	72.4	Confident	75.3	Confident	130 Å²	130	104.6 Å²	104.6	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-60.4	-43.3	170	-80.3	-157.5	161.3	0	0	111.8	A618 D619 I624 L625 M626	A618-E622 PolarHBondContact O-N 2.92Å; D619-E622 PolarHBondContact O-N 3.08Å; E622-I624 VanDerWaalsContact C-N 3.33Å; E622-I624 PolarHBondContact O-N 3.33Å; E622-L625 PolarHBondContact O-N 3.03Å; E622-M626 WeakPolarHBondContact O-CB 3.32Å; E622-M626 VanDerWaalsContact O-CG 3.28Å; E622-M626 WeakPolarHBondContact O-CG 3.15Å; E622-M626 PolarHBondContact O-N 2.87Å
623	T	77.5	Confident	75.9	Confident	79 Å²	79	109.4 Å²	109.4	49%	0.485	53%	0.532	S	S	.	.	H	α-helix	trans	-61.8	-42	177.9	-52.6	0	0	0	0	111.4	D619 R620 W621 M626 N627	D619-T623 PolarHBondContact O-N 2.85Å; D619-T623 PolarHBondContact O-OG1 2.87Å; R620-T623 PolarHBondContact O-N 3.2Å; W621-T623 VanDerWaalsContact C-N 3.33Å; W621-T623 PolarHBondContact O-N 3.46Å; T623-M626 PolarHBondContact O-N 3.15Å; T623-N627 WeakPolarHBondContact O-CB 3.32Å; T623-N627 VanDerWaalsContact O-CG 3.28Å; T623-N627 PolarHBondContact O-N 3.44Å; T623-N627 PolarHBondContact O-ND2 2.81Å
624	I	76.3	Confident	76.6	Confident	72 Å²	72	111.4 Å²	111.4	37%	0.369	54%	0.536	S	S	.	.	H	α-helix	trans	-67.6	-43.5	178.3	-72.5	165.8	0	0	0	111.1	R620 W621 E622 N627 L628	R620-I624 WeakPolarHBondContact O-CG1 3.49Å; R620-I624 PolarHBondContact O-N 3.01Å; W621-I624 HydrophobicContact CE3-CB 4.18Å; W621-I624 HydrophobicContact CE3-CD1 3.64Å; W621-I624 HydrophobicContact CE3-CG1 4.47Å; W621-I624 HydrophobicContact CE3-CG2 4.36Å; W621-I624 HydrophobicContact CZ3-CB 4.31Å; W621-I624 HydrophobicContact CZ3-CD1 3.53Å; W621-I624 HydrophobicContact CZ3-CG1 4.5Å; W621-I624 HydrophobicContact CZ3-CG2 4.05Å; W621-I624 PolarHBondContact O-N 2.76Å; E622-I624 VanDerWaalsContact C-N 3.33Å; E622-I624 PolarHBondContact O-N 3.33Å; I624-N627 PolarHBondContact O-N 2.92Å; I624-L628 HydrophobicContact CG2-CD1 3.83Å; I624-L628 HydrophobicContact CG2-CG 4.47Å; I624-L628 WeakPolarHBondContact O-CB 3.25Å; I624-L628 WeakPolarHBondContact O-CG 3.24Å; I624-L628 PolarHBondContact O-N 2.84Å
625	L	72.9	Confident	77.3	Confident	96 Å²	96	111.5 Å²	111.5	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-62.6	-42.6	175	-77.1	167.9	0	0	0	111.8	W621 E622 L628 T629	W621-L625 WeakPolarHBondContact O-CB 3.21Å; W621-L625 WeakPolarHBondContact O-CG 3.2Å; W621-L625 PolarHBondContact O-N 3.27Å; E622-L625 PolarHBondContact O-N 3.03Å; L625-L628 PolarHBondContact O-N 3.01Å; L625-T629 VanDerWaalsContact O-CB 3.29Å; L625-T629 WeakPolarHBondContact O-CB 3.36Å; L625-T629 PolarHBondContact O-N 3.28Å; L625-T629 PolarHBondContact O-OG1 3.28Å
626	M	79.4	Confident	77.6	Confident	136 Å²	136	112.2 Å²	112.2	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-60.4	-45.3	174.8	-78.4	-87.5	-179.3	0	0	111.4	E622 T623 T629 K630	E622-M626 WeakPolarHBondContact O-CB 3.32Å; E622-M626 VanDerWaalsContact O-CG 3.28Å; E622-M626 WeakPolarHBondContact O-CG 3.15Å; E622-M626 PolarHBondContact O-N 2.87Å; T623-M626 PolarHBondContact O-N 3.15Å; M626-T629 PolarHBondContact O-N 2.95Å; M626-K630 VanDerWaalsContact O-CB 3.3Å; M626-K630 WeakPolarHBondContact O-CB 3.47Å; M626-K630 PolarHBondContact O-N 3.13Å
627	N	80.6	Confident	77.9	Confident	98 Å²	98	107.9 Å²	107.9	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-43.3	178.3	-75	-19.4	0	0	0	112.4	T623 I624 K630 S631	T623-N627 WeakPolarHBondContact O-CB 3.32Å; T623-N627 VanDerWaalsContact O-CG 3.28Å; T623-N627 PolarHBondContact O-N 3.44Å; T623-N627 PolarHBondContact O-ND2 2.81Å; I624-N627 PolarHBondContact O-N 2.92Å; N627-K630 PolarHBondContact O-N 2.77Å; N627-S631 WeakPolarHBondContact O-CB 3.33Å; N627-S631 PolarHBondContact O-N 3.23Å
628	L	75.3	Confident	78.4	Confident	82 Å²	82	105.7 Å²	105.7	43%	0.429	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-47.3	174.6	-80	165.4	0	0	0	110.9	I624 L625 K630 S631 Y632	I624-L628 HydrophobicContact CG2-CD1 3.83Å; I624-L628 HydrophobicContact CG2-CG 4.47Å; I624-L628 WeakPolarHBondContact O-CB 3.25Å; I624-L628 WeakPolarHBondContact O-CG 3.24Å; I624-L628 PolarHBondContact O-N 2.84Å; L625-L628 PolarHBondContact O-N 3.01Å; L628-K630 VanDerWaalsContact C-N 3.28Å; L628-K630 PolarHBondContact O-N 3.14Å; L628-S631 WeakPolarHBondContact O-CB 3.3Å; L628-S631 PolarHBondContact O-N 3.44Å; L628-Y632 HydrophobicContact CD2-CE2 4.3Å; L628-Y632 WeakPolarHBondContact O-CD2 3.39Å; L628-Y632 PolarHBondContact O-N 3.14Å
629	T	79.9	Confident	78.8	Confident	91 Å²	91	108 Å²	108	56%	0.558	53%	0.526	S	S	*	.	H	α-helix	trans	-61.3	-40	178.4	-52	0	0	0	0	111	L625 M626 R633	L625-T629 VanDerWaalsContact O-CB 3.29Å; L625-T629 WeakPolarHBondContact O-CB 3.36Å; L625-T629 PolarHBondContact O-N 3.28Å; L625-T629 PolarHBondContact O-OG1 3.28Å; M626-T629 PolarHBondContact O-N 2.95Å; T629-R633 VanDerWaalsContact O-CB 3.26Å; T629-R633 WeakPolarHBondContact O-CB 3.42Å; T629-R633 PolarHBondContact O-N 3.26Å
630	K	81.4	Confident	79.3	Confident	126 Å²	126	110.7 Å²	110.7	55%	0.548	53%	0.528	S	S	.	.	H	α-helix	trans	-64.5	-46.2	174.8	-171.8	-179.1	175.4	-171.1	0	111.7	M626 N627 L628 R633 E634	M626-K630 VanDerWaalsContact O-CB 3.3Å; M626-K630 WeakPolarHBondContact O-CB 3.47Å; M626-K630 PolarHBondContact O-N 3.13Å; N627-K630 PolarHBondContact O-N 2.77Å; L628-K630 VanDerWaalsContact C-N 3.28Å; L628-K630 PolarHBondContact O-N 3.14Å; K630-R633 WeakPolarHBondContact O-CB 3.4Å; K630-R633 PolarHBondContact O-N 3.15Å; K630-E634 WeakPolarHBondContact CE-OE1 3.35Å; K630-E634 WeakPolarHBondContact O-CG 3.49Å; K630-E634 PolarHBondContact O-N 3.2Å
631	S	81.9	Confident	79.7	Confident	55 Å²	55	107.9 Å²	107.9	39%	0.385	52%	0.523	S	S	.	.	H	α-helix	trans	-58.4	-49.7	176.9	-167.1	0	0	0	0	111.6	N627 L628 R633 E634 E635	N627-S631 WeakPolarHBondContact O-CB 3.33Å; N627-S631 PolarHBondContact O-N 3.23Å; L628-S631 WeakPolarHBondContact O-CB 3.3Å; L628-S631 PolarHBondContact O-N 3.44Å; S631-R633 VanDerWaalsContact C-N 3.31Å; S631-R633 PolarHBondContact O-N 2.72Å; S631-E634 PolarHBondContact O-N 2.88Å; S631-E635 PolarHBondContact O-N 2.97Å
632	Y	79.1	Confident	80.4	Confident	140 Å²	140	106.4 Å²	106.4	55%	0.549	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-36.4	176.9	-78.4	-62.7	0	0	0	112.4	L628 E634 E635 I636	L628-Y632 HydrophobicContact CD2-CE2 4.3Å; L628-Y632 WeakPolarHBondContact O-CD2 3.39Å; L628-Y632 PolarHBondContact O-N 3.14Å; Y632-E634 VanDerWaalsContact C-N 3.35Å; Y632-E635 PolarHBondContact O-N 3.32Å; Y632-I636 WeakPolarHBondContact O-CB 3.38Å; Y632-I636 WeakPolarHBondContact O-CD1 3.31Å; Y632-I636 WeakPolarHBondContact O-CG1 3.45Å; Y632-I636 PolarHBondContact O-N 3.48Å
633	R	82.4	Confident	80.7	Confident	200 Å²	200	105.9 Å²	105.9	76%	0.755	52%	0.522	S	S	*	.	H	α-helix	trans	-65.7	-39	176	-168.5	-177.8	-131.3	-167.7	3.6	111.8	T629 K630 S631 G637	T629-R633 VanDerWaalsContact O-CB 3.26Å; T629-R633 WeakPolarHBondContact O-CB 3.42Å; T629-R633 PolarHBondContact O-N 3.26Å; K630-R633 WeakPolarHBondContact O-CB 3.4Å; K630-R633 PolarHBondContact O-N 3.15Å; S631-R633 VanDerWaalsContact C-N 3.31Å; S631-R633 PolarHBondContact O-N 2.72Å; R633-G637 PolarHBondContact O-N 2.67Å
634	E	83.8	Confident	80.9	Confident	113 Å²	113	106.1 Å²	106.1	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-45.4	174.4	-73.9	172.8	-173.4	0	0	111	K630 S631 Y632 I636 G637 V638	K630-E634 WeakPolarHBondContact CE-OE1 3.35Å; K630-E634 WeakPolarHBondContact O-CG 3.49Å; K630-E634 PolarHBondContact O-N 3.2Å; S631-E634 PolarHBondContact O-N 2.88Å; Y632-E634 VanDerWaalsContact C-N 3.35Å; E634-I636 PolarHBondContact O-N 3.2Å; E634-G637 CarbonylContact O-C 3.6Å; E634-G637 WeakPolarHBondContact O-CA 3.32Å; E634-G637 PolarHBondContact O-N 2.68Å; E634-V638 WeakPolarHBondContact O-CG2 3.21Å; E634-V638 PolarHBondContact O-N 3Å
635	E	81.9	Confident	81	Confident	105 Å²	105	108.7 Å²	108.7	49%	0.491	53%	0.53	S	S	.	.	H	α-helix	trans	-60.2	-45.1	174.9	-76.1	-179	176.8	0	0	112.6	S631 Y632 G637 V638 L639	S631-E635 PolarHBondContact O-N 2.97Å; Y632-E635 PolarHBondContact O-N 3.32Å; E635-G637 VanDerWaalsContact C-N 3.25Å; E635-G637 PolarHBondContact O-N 2.96Å; E635-V638 PolarHBondContact O-N 2.76Å; E635-L639 PolarHBondContact O-N 2.89Å
636	I	81.6	Confident	81.1	Confident	112 Å²	112	110.8 Å²	110.8	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-62.5	-36.7	174.2	-70	167.5	0	0	0	110.5	Y632 E634 R640	Y632-I636 WeakPolarHBondContact O-CB 3.38Å; Y632-I636 WeakPolarHBondContact O-CD1 3.31Å; Y632-I636 WeakPolarHBondContact O-CG1 3.45Å; Y632-I636 PolarHBondContact O-N 3.48Å; E634-I636 PolarHBondContact O-N 3.2Å; I636-R640 VanDerWaalsContact O-CB 3.3Å; I636-R640 WeakPolarHBondContact O-CB 3.42Å; I636-R640 PolarHBondContact O-N 2.79Å
637	G	82	Confident	80.8	Confident	31 Å²	31	107.3 Å²	107.3	32%	0.32	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-48	173.7	0	0	0	0	0	112.3	R633 E634 E635 R640 E641	R633-G637 PolarHBondContact O-N 2.67Å; E634-G637 CarbonylContact O-C 3.6Å; E634-G637 WeakPolarHBondContact O-CA 3.32Å; E634-G637 PolarHBondContact O-N 2.68Å; E635-G637 VanDerWaalsContact C-N 3.25Å; E635-G637 PolarHBondContact O-N 2.96Å; G637-R640 WeakPolarHBondContact O-CB 3.49Å; G637-R640 PolarHBondContact O-N 3.27Å; G637-E641 PolarHBondContact O-N 3.43Å
638	V	83.9	Confident	80.5	Confident	77 Å²	77	105.6 Å²	105.6	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-63.2	-45.9	176.6	176.1	0	0	0	0	111	E634 E635 R640 E641 Q642	E634-V638 WeakPolarHBondContact O-CG2 3.21Å; E634-V638 PolarHBondContact O-N 3Å; E635-V638 PolarHBondContact O-N 2.76Å; V638-R640 VanDerWaalsContact C-N 3.29Å; V638-R640 PolarHBondContact O-N 2.96Å; V638-E641 PolarHBondContact O-N 3.22Å; V638-E641 VanDerWaalsContact O-N 3.16Å; V638-Q642 HydrophobicContact CG1-CG 4.41Å; V638-Q642 WeakPolarHBondContact O-CG 3.26Å; V638-Q642 PolarHBondContact O-N 2.78Å
639	L	81.7	Confident	80.2	Confident	95 Å²	95	105.6 Å²	105.6	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-59.1	-41.3	175.7	-81.4	165.5	0	0	0	111.7	E635 Q642 I643	E635-L639 PolarHBondContact O-N 2.89Å; L639-Q642 PolarHBondContact O-N 3.3Å; L639-I643 WeakPolarHBondContact O-CB 3.39Å; L639-I643 VanDerWaalsContact O-CG1 3.24Å; L639-I643 WeakPolarHBondContact O-CG1 3.18Å; L639-I643 PolarHBondContact O-N 3.47Å
640	R	85.6	Confident	79	Confident	163 Å²	163	106.9 Å²	106.9	62%	0.615	53%	0.527	S	S	*	.	H	α-helix	trans	-62.1	-43.6	175.3	-178.4	-179.7	-180	-87.4	-1.7	111.6	I636 G637 V638 I643 L644	I636-R640 VanDerWaalsContact O-CB 3.3Å; I636-R640 WeakPolarHBondContact O-CB 3.42Å; I636-R640 PolarHBondContact O-N 2.79Å; G637-R640 WeakPolarHBondContact O-CB 3.49Å; G637-R640 PolarHBondContact O-N 3.27Å; V638-R640 VanDerWaalsContact C-N 3.29Å; V638-R640 PolarHBondContact O-N 2.96Å; R640-I643 PolarHBondContact O-N 2.95Å; R640-L644 HydrophobicContact CG-CD1 4.2Å; R640-L644 WeakPolarHBondContact O-CB 3.43Å; R640-L644 VanDerWaalsContact O-CG 3.3Å; R640-L644 WeakPolarHBondContact O-CG 3.39Å; R640-L644 PolarHBondContact O-N 3.16Å
641	E	83.6	Confident	77.6	Confident	126 Å²	126	106.6 Å²	106.6	59%	0.589	54%	0.536	S	S	*	.	H	α-helix	trans	-65.4	-40.9	176.5	-75.1	-168.9	173.4	0	0	112.4	G637 V638 I643 L644 Q645	G637-E641 PolarHBondContact O-N 3.43Å; V638-E641 PolarHBondContact O-N 3.22Å; V638-E641 VanDerWaalsContact O-N 3.16Å; E641-I643 PolarHBondContact O-N 3.45Å; E641-L644 PolarHBondContact O-N 3.21Å; E641-Q645 WeakPolarHBondContact O-CB 3.49Å; E641-Q645 WeakPolarHBondContact O-CG 3.15Å; E641-Q645 PolarHBondContact O-N 2.74Å
642	Q	84.4	Confident	75.9	Confident	108 Å²	108	111 Å²	111	51%	0.505	57%	0.568	S	S	.	*	H	α-helix	trans	-61.7	-43.5	175	-73.2	177.6	-9.6	0	0	111.9	V638 L639 L644 Q645 F646	V638-Q642 HydrophobicContact CG1-CG 4.41Å; V638-Q642 WeakPolarHBondContact O-CG 3.26Å; V638-Q642 PolarHBondContact O-N 2.78Å; L639-Q642 PolarHBondContact O-N 3.3Å; Q642-L644 VanDerWaalsContact C-N 3.35Å; Q642-Q645 PolarHBondContact O-N 3.29Å; Q642-F646 WeakPolarHBondContact O-CB 3.2Å; Q642-F646 PolarHBondContact O-N 2.94Å
643	I	80.6	Confident	75.7	Confident	118 Å²	118	109.6 Å²	109.6	61%	0.605	57%	0.569	S	S	*	*	H	α-helix	trans	-63.1	-42.3	175.7	-69.3	165.6	0	0	0	110.7	L639 R640 E641 F646 S647	L639-I643 WeakPolarHBondContact O-CB 3.39Å; L639-I643 VanDerWaalsContact O-CG1 3.24Å; L639-I643 WeakPolarHBondContact O-CG1 3.18Å; L639-I643 PolarHBondContact O-N 3.47Å; R640-I643 PolarHBondContact O-N 2.95Å; E641-I643 PolarHBondContact O-N 3.45Å; I643-F646 PolarHBondContact O-N 2.97Å; I643-S647 WeakPolarHBondContact O-CB 3.42Å; I643-S647 PolarHBondContact O-N 3.35Å
644	L	81.3	Confident	75.4	Confident	84 Å²	84	104.8 Å²	104.8	44%	0.44	56%	0.559	S	S	.	*	H	α-helix	trans	-64.8	-45.1	177.5	-74.5	169.8	0	0	0	111.7	R640 E641 Q642 S647 S648	R640-L644 HydrophobicContact CG-CD1 4.2Å; R640-L644 WeakPolarHBondContact O-CB 3.43Å; R640-L644 VanDerWaalsContact O-CG 3.3Å; R640-L644 WeakPolarHBondContact O-CG 3.39Å; R640-L644 PolarHBondContact O-N 3.16Å; E641-L644 PolarHBondContact O-N 3.21Å; Q642-L644 VanDerWaalsContact C-N 3.35Å; L644-S647 PolarHBondContact O-N 3.25Å; L644-S647 PolarHBondContact O-OG 3Å; L644-S648 PolarHBondContact O-N 3.3Å; L644-S648 PolarHBondContact O-OG 2.98Å
645	Q	77.4	Confident	74.9	Confident	126 Å²	126	104.4 Å²	104.4	59%	0.589	56%	0.561	S	S	*	*	H	α-helix	trans	-58.5	-48.4	174.3	-80.3	-176	-12.5	0	0	111.1	E641 Q642 S647 S648 T649	E641-Q645 WeakPolarHBondContact O-CB 3.49Å; E641-Q645 WeakPolarHBondContact O-CG 3.15Å; E641-Q645 PolarHBondContact O-N 2.74Å; Q642-Q645 PolarHBondContact O-N 3.29Å; Q645-S647 VanDerWaalsContact C-N 3.3Å; Q645-S647 PolarHBondContact O-N 2.98Å; Q645-S648 WeakPolarHBondContact CA-OG 3.45Å; Q645-S648 PolarHBondContact O-N 3.15Å; Q645-S648 VanDerWaalsContact O-N 3.08Å; Q645-S648 PolarHBondContact O-OG 3.1Å; Q645-T649 PolarHBondContact O-N 3.4Å; Q645-T649 PolarHBondContact O-OG1 3.44Å; Q645-T649 VanDerWaalsContact O-OG1 3.13Å
646	F	75.9	Confident	74.5	Confident	141 Å²	141	104.4 Å²	104.4	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-61.2	-38	178.2	-164.4	-95.8	0	0	0	112.4	Q642 I643 T649 N650	Q642-F646 WeakPolarHBondContact O-CB 3.2Å; Q642-F646 PolarHBondContact O-N 2.94Å; I643-F646 PolarHBondContact O-N 2.97Å; F646-T649 WeakPolarHBondContact CA-OG1 3.46Å; F646-T649 PolarHBondContact O-OG1 3.24Å; F646-T649 VanDerWaalsContact O-OG1 3.07Å; F646-N650 VanDerWaalsContact CE1-ND2 3.25Å; F646-N650 WeakPolarHBondContact CE1-ND2 3.48Å; F646-N650 PolarHBondContact O-N 3.01Å
647	S	73.6	Confident	74	Confident	62 Å²	62	103.9 Å²	103.9	43%	0.434	56%	0.564	S	S	.	*	H	α-helix	trans	-65.7	-39.4	174.1	85.1	0	0	0	0	112	I643 L644 Q645 N650 T651	I643-S647 WeakPolarHBondContact O-CB 3.42Å; I643-S647 PolarHBondContact O-N 3.35Å; L644-S647 PolarHBondContact O-N 3.25Å; L644-S647 PolarHBondContact O-OG 3Å; Q645-S647 VanDerWaalsContact C-N 3.3Å; Q645-S647 PolarHBondContact O-N 2.98Å; S647-N650 PolarHBondContact O-N 3.33Å; S647-T651 WeakPolarHBondContact O-CG2 3.46Å; S647-T651 PolarHBondContact O-N 3.28Å; S647-T651 PolarHBondContact O-OG1 3.19Å
648	S	72.6	Confident	73.5	Confident	63 Å²	63	108.7 Å²	108.7	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-71.1	-36.4	-178.7	68.1	0	0	0	0	113.1	L644 Q645 T651	L644-S648 PolarHBondContact O-N 3.3Å; L644-S648 PolarHBondContact O-OG 2.98Å; Q645-S648 WeakPolarHBondContact CA-OG 3.45Å; Q645-S648 PolarHBondContact O-N 3.15Å; Q645-S648 VanDerWaalsContact O-N 3.08Å; Q645-S648 PolarHBondContact O-OG 3.1Å; S648-T651 WeakPolarHBondContact CA-OG1 3.45Å; S648-T651 PolarHBondContact O-N 3.21Å; S648-T651 PolarHBondContact O-OG1 3.12Å
649	T	69.1	Low	72.8	Confident	82 Å²	82	111 Å²	111	50%	0.503	59%	0.589	S	S	.	*	H	α-helix	trans	-74.2	-24.3	177.7	49	0	0	0	0	113.5	Q645 F646 T651 S652	Q645-T649 PolarHBondContact O-N 3.4Å; Q645-T649 PolarHBondContact O-OG1 3.44Å; Q645-T649 VanDerWaalsContact O-OG1 3.13Å; F646-T649 WeakPolarHBondContact CA-OG1 3.46Å; F646-T649 PolarHBondContact O-OG1 3.24Å; F646-T649 VanDerWaalsContact O-OG1 3.07Å; T649-T651 VanDerWaalsContact C-N 3.34Å; T649-S652 PolarHBondContact O-OG 3.44Å
650	N	55.2	Low	72.1	Confident	117 Å²	117	112.2 Å²	112.2	63%	0.626	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-9.2	174.4	-84.2	-21.9	0	0	0	113.2	F646 S647	F646-N650 VanDerWaalsContact CE1-ND2 3.25Å; F646-N650 WeakPolarHBondContact CE1-ND2 3.48Å; F646-N650 PolarHBondContact O-N 3.01Å; S647-N650 PolarHBondContact O-N 3.33Å
651	T	52.4	Low	71	Confident	120 Å²	120	108 Å²	108	74%	0.736	59%	0.594	S	S	*	*			trans	-96.9	-7.7	176.2	47.9	0	0	0	0	114.3	S647 S648 T649	S647-T651 WeakPolarHBondContact O-CG2 3.46Å; S647-T651 PolarHBondContact O-N 3.28Å; S647-T651 PolarHBondContact O-OG1 3.19Å; S648-T651 WeakPolarHBondContact CA-OG1 3.45Å; S648-T651 PolarHBondContact O-N 3.21Å; S648-T651 PolarHBondContact O-OG1 3.12Å; T649-T651 VanDerWaalsContact C-N 3.34Å
652	S	45.4	Very low	69.8	Low	149 Å²	149	106.4 Å²	106.4	100%	1.042	59%	0.594	S	S	*	*			trans	-101.7	0	170.2	61.4	0	0	0	0	110.5	T649	T649-S652 PolarHBondContact O-OG 3.44Å

Retrieved 652 of 652 residues in 907.1 ms (Link to these results)

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