A0A5K4FE77_SCHMA Loading...

Cyclic nucleotide-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 664 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	49.2	Very low	55.9	Low	194 Å²	194	132.7 Å²	132.7	96%	0.956	64%	0.643	S	S	*	*				0	-37.6	0	-144.7	176.2	55.5	0	0	109.5	D3 K4 Q5	M1-D3 PolarHBondContact O-N 3.44Å; M1-K4 PolarHBondContact O-N 2.78Å; M1-Q5 PolarHBondContact O-N 3.5Å
2	D	57.9	Low	55.2	Low	126 Å²	126	131.8 Å²	131.8	67%	0.674	64%	0.639	S	S	*	*	H	α-helix	trans	-57.8	-37.8	172.7	-57.8	-35.5	0	0	0	114.3	K4 Q5 H6	D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.36Å; D2-Q5 WeakPolarHBondContact O-CB 3.34Å; D2-Q5 PolarHBondContact O-N 3.16Å; D2-H6 PolarHBondContact O-N 2.72Å
3	D	55.1	Low	54.5	Low	139 Å²	139	132.3 Å²	132.3	74%	0.743	64%	0.636	S	S	*	*	H	α-helix	trans	-60.3	-36.9	177.8	-66.4	-28.5	0	0	0	113.6	M1 Q5 H6 E7	M1-D3 PolarHBondContact O-N 3.44Å; D3-Q5 VanDerWaalsContact C-N 3.33Å; D3-H6 PolarHBondContact O-N 3.46Å; D3-E7 PolarHBondContact O-N 3.48Å
4	K	64.7	Low	53.5	Low	168 Å²	168	126.5 Å²	126.5	73%	0.73	62%	0.616	S	S	*	*	H	α-helix	trans	-73.7	-27.2	176.7	-73.9	-163.9	174.8	-173.9	0	112.5	M1 D2 M8	M1-K4 PolarHBondContact O-N 2.78Å; D2-K4 VanDerWaalsContact C-N 3.3Å; D2-K4 PolarHBondContact O-N 3.36Å; K4-M8 WeakPolarHBondContact O-CB 3.36Å; K4-M8 PolarHBondContact O-N 2.74Å; K4-M8 VanDerWaalsContact O-N 3.11Å
5	Q	60.1	Low	52.5	Low	121 Å²	121	122.7 Å²	122.7	57%	0.565	61%	0.608	S	S	*	*	H	α-helix	trans	-73.5	-37.7	175.3	-160.2	158.5	-36.3	0	0	110.3	M1 D2 D3 M8 E9	M1-Q5 PolarHBondContact O-N 3.5Å; D2-Q5 WeakPolarHBondContact O-CB 3.34Å; D2-Q5 PolarHBondContact O-N 3.16Å; D3-Q5 VanDerWaalsContact C-N 3.33Å; Q5-M8 PolarHBondContact O-N 3.45Å; Q5-E9 PolarHBondContact O-N 3.43Å
6	H	53.9	Low	51.7	Low	132 Å²	132	119.6 Å²	119.6	61%	0.611	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-37	174.9	-146.9	-52.5	0	0	0	112.7	D2 D3 E9 H10	D2-H6 PolarHBondContact O-N 2.72Å; D3-H6 PolarHBondContact O-N 3.46Å; H6-E9 PolarHBondContact O-N 2.83Å; H6-H10 WeakPolarHBondContact O-CB 3.4Å; H6-H10 PolarHBondContact O-N 3.26Å
7	E	61.5	Low	50.8	Low	128 Å²	128	116.5 Å²	116.5	60%	0.598	59%	0.594	S	S	*	*	H	α-helix	trans	-67.5	-37.6	173.3	-161.3	-179.8	-168.8	0	0	111.6	D3 H10 L11	D3-E7 PolarHBondContact O-N 3.48Å; E7-H10 PolarHBondContact O-N 2.88Å; E7-L11 WeakPolarHBondContact O-CB 3.42Å; E7-L11 WeakPolarHBondContact O-CG 3.32Å; E7-L11 PolarHBondContact O-N 3.16Å
8	M	55.5	Low	49.9	Very low	117 Å²	117	118.5 Å²	118.5	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-70.9	-36.7	176.2	-140.6	174.4	88.3	0	0	112.3	K4 Q5 L11 M12	K4-M8 WeakPolarHBondContact O-CB 3.36Å; K4-M8 PolarHBondContact O-N 2.74Å; K4-M8 VanDerWaalsContact O-N 3.11Å; Q5-M8 PolarHBondContact O-N 3.45Å; M8-L11 PolarHBondContact O-N 3.3Å; M8-M12 HydrophobicContact CE-CE 4.06Å; M8-M12 WeakPolarHBondContact O-CB 3.2Å; M8-M12 VanDerWaalsContact O-CG 3.26Å; M8-M12 WeakPolarHBondContact O-CG 3.47Å; M8-M12 PolarHBondContact O-N 3.2Å
9	E	57.8	Low	49.1	Very low	100 Å²	100	116.2 Å²	116.2	47%	0.467	60%	0.595	S	S	.	*	H	α-helix	trans	-66.5	-38.1	171	-80.9	-170.3	177.6	0	0	112	Q5 H6 M12 K13	Q5-E9 PolarHBondContact O-N 3.43Å; H6-E9 PolarHBondContact O-N 2.83Å; E9-M12 PolarHBondContact O-N 3.43Å; E9-K13 VanDerWaalsContact O-CB 3.31Å; E9-K13 WeakPolarHBondContact O-CB 3.5Å; E9-K13 WeakPolarHBondContact O-CG 3.34Å; E9-K13 PolarHBondContact O-N 3.09Å
10	H	50.5	Low	48.2	Very low	129 Å²	129	112.7 Å²	112.7	60%	0.597	58%	0.582	S	S	*	*	H	α-helix	trans	-66.5	-38.7	175.2	-164.2	-86.4	0	0	0	111.7	H6 E7 K13 S14	H6-H10 WeakPolarHBondContact O-CB 3.4Å; H6-H10 PolarHBondContact O-N 3.26Å; E7-H10 PolarHBondContact O-N 2.88Å; H10-K13 PolarHBondContact O-N 3.27Å; H10-S14 WeakPolarHBondContact O-CB 3.41Å; H10-S14 PolarHBondContact O-N 3.17Å
11	L	48.6	Very low	47.5	Very low	106 Å²	106	113 Å²	113	56%	0.555	58%	0.584	S	S	*	*	H	α-helix	trans	-70	-35.3	173.2	-74.8	168.7	0	0	0	112.7	E7 M8 S14 S15	E7-L11 WeakPolarHBondContact O-CB 3.42Å; E7-L11 WeakPolarHBondContact O-CG 3.32Å; E7-L11 PolarHBondContact O-N 3.16Å; M8-L11 PolarHBondContact O-N 3.3Å; L11-S14 PolarHBondContact O-OG 3.45Å; L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.43Å
12	M	48	Very low	46.9	Very low	121 Å²	121	108.4 Å²	108.4	60%	0.596	57%	0.566	S	S	*	*	H	α-helix	trans	-67.5	-41.8	172.5	-74.7	-128.3	-164.4	0	0	111	M8 E9 S15 S16	M8-M12 HydrophobicContact CE-CE 4.06Å; M8-M12 WeakPolarHBondContact O-CB 3.2Å; M8-M12 VanDerWaalsContact O-CG 3.26Å; M8-M12 WeakPolarHBondContact O-CG 3.47Å; M8-M12 PolarHBondContact O-N 3.2Å; E9-M12 PolarHBondContact O-N 3.43Å; M12-S15 PolarHBondContact O-N 3.07Å; M12-S15 PolarHBondContact O-OG 3.28Å; M12-S16 PolarHBondContact O-N 2.91Å; M12-S16 PolarHBondContact O-OG 3.32Å
13	K	45.1	Very low	45.8	Very low	139 Å²	139	107.6 Å²	107.6	60%	0.604	56%	0.561	S	S	*	*	H	α-helix	trans	-66.9	-34.3	175.3	-76.1	178	-178.5	173	0	112.8	E9 H10 S16 S17	E9-K13 VanDerWaalsContact O-CB 3.31Å; E9-K13 WeakPolarHBondContact O-CB 3.5Å; E9-K13 WeakPolarHBondContact O-CG 3.34Å; E9-K13 PolarHBondContact O-N 3.09Å; H10-K13 PolarHBondContact O-N 3.27Å; K13-S16 WeakPolarHBondContact CA-OG 3.29Å; K13-S16 PolarHBondContact O-N 2.86Å; K13-S16 PolarHBondContact O-OG 2.93Å; K13-S17 PolarHBondContact O-N 3.44Å
14	S	40.8	Very low	44.8	Very low	51 Å²	51	106 Å²	106	36%	0.357	55%	0.553	S	S	.	*	H	α-helix	trans	-75.2	-28.1	173.2	83.8	0	0	0	0	112.6	H10 L11 S17 Q18	H10-S14 WeakPolarHBondContact O-CB 3.41Å; H10-S14 PolarHBondContact O-N 3.17Å; L11-S14 PolarHBondContact O-OG 3.45Å; S14-S17 WeakPolarHBondContact CA-OG 3.43Å; S14-S17 PolarHBondContact O-OG 3.4Å; S14-Q18 PolarHBondContact O-N 3.29Å
15	S	39.4	Very low	43.4	Very low	70 Å²	70	105 Å²	105	49%	0.49	56%	0.555	S	S	.	*	H	α-helix	trans	-74.7	-31.7	171.4	85.8	0	0	0	0	112.3	L11 M12 Q18 C19	L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.43Å; M12-S15 PolarHBondContact O-N 3.07Å; M12-S15 PolarHBondContact O-OG 3.28Å; S15-Q18 PolarHBondContact O-N 2.91Å; S15-C19 PolarHBondContact O-N 2.96Å
16	S	38.9	Very low	42.4	Very low	73 Å²	73	104 Å²	104	51%	0.51	56%	0.557	S	S	.	*	H	α-helix	trans	-75.8	-26.9	172.5	65.5	0	0	0	0	112	M12 K13 Q18 C19 S20	M12-S16 PolarHBondContact O-N 2.91Å; M12-S16 PolarHBondContact O-OG 3.32Å; K13-S16 WeakPolarHBondContact CA-OG 3.29Å; K13-S16 PolarHBondContact O-N 2.86Å; K13-S16 PolarHBondContact O-OG 2.93Å; S16-Q18 VanDerWaalsContact C-N 3.29Å; S16-Q18 PolarHBondContact O-N 3.12Å; S16-C19 WeakPolarHBondContact O-CB 3.37Å; S16-C19 PolarHBondContact O-N 2.93Å; S16-C19 VanDerWaalsContact O-N 3.09Å; S16-S20 PolarHBondContact O-N 2.97Å
17	S	37.3	Very low	41.4	Very low	67 Å²	67	102.6 Å²	102.6	47%	0.469	56%	0.558	S	S	.	*	H	α-helix	trans	-70.9	-20.9	169.2	74.3	0	0	0	0	113.2	K13 S14 C19 S20	K13-S17 PolarHBondContact O-N 3.44Å; S14-S17 WeakPolarHBondContact CA-OG 3.43Å; S14-S17 PolarHBondContact O-OG 3.4Å; S17-C19 VanDerWaalsContact C-N 3.32Å; S17-S20 WeakPolarHBondContact O-CB 3.38Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact O-OG 3.46Å
18	Q	34.5	Very low	40.2	Very low	152 Å²	152	103.7 Å²	103.7	71%	0.71	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-15.7	167.2	-75.7	-173.8	-9.6	0	0	113.5	S14 S15 S16 S20	S14-Q18 PolarHBondContact O-N 3.29Å; S15-Q18 PolarHBondContact O-N 2.91Å; S16-Q18 VanDerWaalsContact C-N 3.29Å; S16-Q18 PolarHBondContact O-N 3.12Å; Q18-S20 VanDerWaalsContact C-N 3.28Å
19	C	33.3	Very low	39.2	Very low	74 Å²	74	102.8 Å²	102.8	50%	0.5	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-16.9	164.4	-87.6	0	0	0	0	112.8	S15 S16 S17 I21 V22 D23	S15-C19 PolarHBondContact O-N 2.96Å; S16-C19 WeakPolarHBondContact O-CB 3.37Å; S16-C19 PolarHBondContact O-N 2.93Å; S16-C19 VanDerWaalsContact O-N 3.09Å; S17-C19 VanDerWaalsContact C-N 3.32Å; C19-I21 PolarHBondContact O-N 3.28Å; C19-V22 PolarHBondContact O-N 3.26Å; C19-D23 PolarHBondContact O-N 3.34Å; C19-D23 VanDerWaalsContact O-N 3.13Å
20	S	32.3	Very low	37.8	Very low	47 Å²	47	107.2 Å²	107.2	33%	0.329	58%	0.584	S	S	.	*	H	α-helix	trans	-66.4	-22.9	178.4	79.1	0	0	0	0	113	S16 S17 Q18 V22 D23 N24	S16-S20 PolarHBondContact O-N 2.97Å; S17-S20 WeakPolarHBondContact O-CB 3.38Å; S17-S20 PolarHBondContact O-N 3.4Å; S17-S20 PolarHBondContact O-OG 3.46Å; Q18-S20 VanDerWaalsContact C-N 3.28Å; S20-V22 PolarHBondContact O-N 3.34Å; S20-D23 PolarHBondContact O-N 3.49Å; S20-N24 WeakPolarHBondContact O-CB 3.36Å; S20-N24 PolarHBondContact O-N 3.04Å; S20-N24 PolarHBondContact O-ND2 3.39Å; S20-N24 PolarHBondContact O-OD1 2.99Å
21	I	34.1	Very low	36.9	Very low	120 Å²	120	108.2 Å²	108.2	62%	0.615	59%	0.592	S	S	*	*	H	α-helix	trans	-65.1	-29.6	174	-61.5	174	0	0	0	110.8	C19	C19-I21 PolarHBondContact O-N 3.28Å
22	V	35.9	Very low	35.9	Very low	97 Å²	97	111.4 Å²	111.4	59%	0.588	60%	0.604	S	S	*	*	H	α-helix	trans	-87.3	-34.4	178.6	-174	0	0	0	0	111.2	C19 S20 L25	C19-V22 PolarHBondContact O-N 3.26Å; S20-V22 PolarHBondContact O-N 3.34Å; V22-L25 PolarHBondContact O-N 2.92Å
23	D	35.7	Very low	35.1	Very low	108 Å²	108	111.4 Å²	111.4	58%	0.578	61%	0.613	S	S	*	*	H	α-helix	trans	-75.4	-28.9	175.8	-68.7	-28.8	0	0	0	112.7	C19 S20 L25 V26	C19-D23 PolarHBondContact O-N 3.34Å; C19-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 PolarHBondContact O-N 3.49Å; D23-L25 PolarHBondContact O-N 3.03Å; D23-L25 VanDerWaalsContact O-N 3.16Å; D23-V26 PolarHBondContact O-N 2.99Å
24	N	32.2	Very low	34.5	Very low	106 Å²	106	109.8 Å²	109.8	57%	0.567	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-13	174.1	-74.9	-6.6	0	0	0	113.4	S20 V26 T27	S20-N24 WeakPolarHBondContact O-CB 3.36Å; S20-N24 PolarHBondContact O-N 3.04Å; S20-N24 PolarHBondContact O-ND2 3.39Å; S20-N24 PolarHBondContact O-OD1 2.99Å; N24-V26 VanDerWaalsContact C-N 3.29Å; N24-T27 PolarHBondContact O-OG1 3.38Å
25	L	36.1	Very low	34	Very low	147 Å²	147	115.1 Å²	115.1	77%	0.77	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-6.6	172.7	-85.4	151.1	0	0	0	113	V22 D23	V22-L25 PolarHBondContact O-N 2.92Å; D23-L25 PolarHBondContact O-N 3.03Å; D23-L25 VanDerWaalsContact O-N 3.16Å
26	V	39.7	Very low	33.8	Very low	100 Å²	100	117.8 Å²	117.8	61%	0.606	66%	0.658	S	S	*	*	S	Bend	trans	-109.1	0.4	-175.1	-172.4	0	0	0	0	112.3	D23 N24 K28	D23-V26 PolarHBondContact O-N 2.99Å; N24-V26 VanDerWaalsContact C-N 3.29Å; V26-K28 PolarHBondContact O-N 2.76Å
27	T	33	Very low	33.5	Very low	102 Å²	102	120.2 Å²	120.2	63%	0.626	68%	0.675	S	S	*	*	S	Bend	trans	-70.7	129.5	175.7	46.8	0	0	0	0	111	N24	N24-T27 PolarHBondContact O-OG1 3.38Å
28	K	35.4	Very low	33.6	Very low	152 Å²	152	124.8 Å²	124.8	66%	0.661	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-50.7	131.1	170.4	-88.3	-176	167.8	-170.2	0	108.2	V26 E30 E53	V26-K28 PolarHBondContact O-N 2.76Å; K28-E30 PolarHBondContact O-N 3.45Å; K28-E53 IonicContact NZ-OE1 3.59Å; K28-E53 PolarHBondContact NZ-OE1 3.09Å
29	P	34.3	Very low	33.9	Very low	98 Å²	98	125.9 Å²	125.9	64%	0.636	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-62.1	127	173.5	24.1	-30	0	0	0	109.3	I31	P29-I31 PolarHBondContact O-N 2.74Å
30	E	28.3	Very low	34.2	Very low	192 Å²	192	130.3 Å²	130.3	90%	0.897	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-64.1	118.6	166.2	-83.4	176.1	155.4	0	0	108	K28 E32	K28-E30 PolarHBondContact O-N 3.45Å; E30-E32 PolarHBondContact O-N 3.09Å
31	I	31.9	Very low	34.9	Very low	150 Å²	150	132.1 Å²	132.1	77%	0.769	72%	0.719	S	S	*	*			trans	-81.1	103.5	174.7	-60.6	166.4	0	0	0	106.4	P29	P29-I31 PolarHBondContact O-N 2.74Å
32	E	28.1	Very low	35.8	Very low	174 Å²	174	131.6 Å²	131.6	81%	0.813	72%	0.724	S	S	*	*			trans	-66.4	131.7	167.3	-80.8	-174.6	159	0	0	109.5	E30 S34	E30-E32 PolarHBondContact O-N 3.09Å; E32-S34 PolarHBondContact O-N 2.78Å; E32-S34 VanDerWaalsContact O-N 3.13Å
33	P	30.7	Very low	36.7	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	73%	0.733	S	S	*	*			trans	-71.6	109.3	178.7	28.1	-30.7	0	0	0	109.3
34	S	33.1	Very low	37.4	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	73%	0.732	S	S	*	*			trans	-77.4	120.6	171.4	56.1	0	0	0	0	110.4	E32 T36	E32-S34 PolarHBondContact O-N 2.78Å; E32-S34 VanDerWaalsContact O-N 3.13Å; S34-T36 PolarHBondContact O-N 2.75Å; S34-T36 VanDerWaalsContact O-N 3.13Å
35	D	29.7	Very low	38.5	Very low	163 Å²	163	135.4 Å²	135.4	87%	0.872	73%	0.729	S	S	*	*			trans	-59.8	106.4	170.2	-74.3	-39.3	0	0	0	110.7
36	T	34.9	Very low	39.7	Very low	126 Å²	126	134 Å²	134	77%	0.773	72%	0.722	S	S	*	*			trans	-158.6	110.8	155.1	8.2	0	0	0	0	109.8	S34 E38	S34-T36 PolarHBondContact O-N 2.75Å; S34-T36 VanDerWaalsContact O-N 3.13Å; T36-E38 PolarHBondContact O-N 3.28Å
37	S	33.1	Very low	40.8	Very low	124 Å²	124	133.4 Å²	133.4	87%	0.867	72%	0.719	S	S	*	*			trans	-79	87.8	176.4	56.8	0	0	0	0	110.6
38	E	40.6	Very low	42.5	Very low	163 Å²	163	132.6 Å²	132.6	76%	0.762	71%	0.711	S	S	*	*			trans	-135.8	131	159.7	-73.7	-168.5	167.9	0	0	110	T36 Y40	T36-E38 PolarHBondContact O-N 3.28Å; E38-Y40 PolarHBondContact O-N 3.06Å
39	N	39.7	Very low	44	Very low	175 Å²	175	129.1 Å²	129.1	94%	0.936	70%	0.699	S	S	*	*			trans	-56.5	94.8	-168.3	-73.3	-38.4	0	0	0	113.5
40	Y	39.5	Very low	45.8	Very low	166 Å²	166	130.6 Å²	130.6	65%	0.651	70%	0.697	S	S	*	*			trans	-96.5	124.1	162.8	-87.8	-91.5	0	0	0	110.2	E38	E38-Y40 PolarHBondContact O-N 3.06Å
41	S	47.3	Very low	47.9	Very low	86 Å²	86	126 Å²	126	60%	0.601	68%	0.676	S	S	*	*			trans	-62.1	136.3	177.1	-57.8	0	0	0	0	111.3	E43 K44	S41-E43 PolarHBondContact O-N 3.36Å; S41-E43 VanDerWaalsContact O-N 3.12Å; S41-K44 PolarHBondContact O-N 3.47Å; S41-K44 VanDerWaalsContact O-N 3.07Å
42	P	52.9	Low	49.9	Very low	108 Å²	108	123.2 Å²	123.2	70%	0.701	66%	0.661	S	S	*	*	H	α-helix	trans	-61.5	-25.9	-169.4	20.7	-32.1	0	0	0	114.7	N46	P42-N46 PolarHBondContact O-N 3.21Å
43	E	54.5	Low	52.1	Low	167 Å²	167	119.7 Å²	119.7	78%	0.78	65%	0.645	S	S	*	*	H	α-helix	trans	-64	-38.9	175.7	-102.6	177.3	166.8	0	0	112.9	S41 N46 T47	S41-E43 PolarHBondContact O-N 3.36Å; S41-E43 VanDerWaalsContact O-N 3.12Å; E43-N46 PolarHBondContact O-N 2.97Å; E43-T47 PolarHBondContact O-N 2.89Å; E43-T47 PolarHBondContact O-OG1 2.92Å
44	K	50.6	Low	54.3	Low	129 Å²	129	116 Å²	116	56%	0.561	62%	0.62	S	S	*	*	H	α-helix	trans	-70.2	-37.4	-178.8	-126.3	179.1	-177.7	-176.7	0	111.7	S41 N46 T47 D48	S41-K44 PolarHBondContact O-N 3.47Å; S41-K44 VanDerWaalsContact O-N 3.07Å; K44-N46 VanDerWaalsContact C-N 3.34Å; K44-N46 PolarHBondContact O-N 3.35Å; K44-T47 PolarHBondContact O-N 3.22Å; K44-T47 PolarHBondContact O-OG1 3.43Å; K44-D48 WeakPolarHBondContact O-CB 3.36Å; K44-D48 VanDerWaalsContact O-CG 3.27Å; K44-D48 PolarHBondContact O-N 3.32Å
45	L	55.8	Low	56.5	Low	95 Å²	95	114.5 Å²	114.5	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-64.6	-38.9	178.1	-147.3	103.9	0	0	0	111.6	N49	L45-N49 WeakPolarHBondContact O-CB 3.42Å; L45-N49 PolarHBondContact O-N 3.45Å; L45-N49 PolarHBondContact O-ND2 3.24Å
46	N	61	Low	58.8	Low	118 Å²	118	109.9 Å²	109.9	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-69.8	-39.6	177.1	-90.3	-9.7	0	0	0	112.7	P42 E43 K44 H50	P42-N46 PolarHBondContact O-N 3.21Å; E43-N46 PolarHBondContact O-N 2.97Å; K44-N46 VanDerWaalsContact C-N 3.34Å; K44-N46 PolarHBondContact O-N 3.35Å; N46-H50 WeakPolarHBondContact O-CB 3.3Å; N46-H50 PolarHBondContact O-N 3.31Å
47	T	63.3	Low	60.9	Low	87 Å²	87	109.6 Å²	109.6	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-67.8	-40.8	176.3	49.1	0	0	0	0	112	E43 K44 H50 Q51	E43-T47 PolarHBondContact O-N 2.89Å; E43-T47 PolarHBondContact O-OG1 2.92Å; K44-T47 PolarHBondContact O-N 3.22Å; K44-T47 PolarHBondContact O-OG1 3.43Å; T47-H50 PolarHBondContact O-N 3.05Å; T47-Q51 WeakPolarHBondContact O-CB 3.41Å; T47-Q51 PolarHBondContact O-N 3.43Å
48	D	68.2	Low	63	Low	86 Å²	86	109.5 Å²	109.5	46%	0.46	55%	0.552	S	S	.	*	H	α-helix	trans	-65.8	-42.5	178	-69.8	-18.5	0	0	0	111	K44 H50 Q51 I52	K44-D48 WeakPolarHBondContact O-CB 3.36Å; K44-D48 VanDerWaalsContact O-CG 3.27Å; K44-D48 PolarHBondContact O-N 3.32Å; D48-H50 PolarHBondContact O-N 3.33Å; D48-Q51 PolarHBondContact O-N 2.89Å; D48-I52 WeakPolarHBondContact O-CD1 3.46Å; D48-I52 WeakPolarHBondContact O-CG1 3.49Å; D48-I52 PolarHBondContact O-N 3.23Å
49	N	67.7	Low	64.7	Low	79 Å²	79	104 Å²	104	42%	0.422	53%	0.532	S	S	.	.	H	α-helix	trans	-62.6	-43	175.9	-76.1	-19.6	0	0	0	112.7	L45 Q51 I52 E53	L45-N49 WeakPolarHBondContact O-CB 3.42Å; L45-N49 PolarHBondContact O-N 3.45Å; L45-N49 PolarHBondContact O-ND2 3.24Å; N49-Q51 VanDerWaalsContact C-N 3.34Å; N49-I52 PolarHBondContact O-N 3.35Å; N49-E53 PolarHBondContact O-N 3.3Å
50	H	71.7	Confident	66.6	Low	128 Å²	128	98.5 Å²	98.5	59%	0.593	50%	0.502	S	S	*	.	H	α-helix	trans	-66.6	-37.3	177.6	-168	-49.9	0	0	0	111.5	N46 T47 D48 E53 V54	N46-H50 WeakPolarHBondContact O-CB 3.3Å; N46-H50 PolarHBondContact O-N 3.31Å; T47-H50 PolarHBondContact O-N 3.05Å; D48-H50 PolarHBondContact O-N 3.33Å; H50-E53 PolarHBondContact O-N 2.94Å; H50-V54 VanDerWaalsContact O-CG2 3.31Å; H50-V54 WeakPolarHBondContact O-CG2 3.25Å; H50-V54 PolarHBondContact O-N 3.41Å; H50-V54 VanDerWaalsContact O-N 3.1Å
51	Q	71.2	Confident	68.5	Low	97 Å²	97	94.8 Å²	94.8	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-66.5	-42.3	177.2	-172.7	57.9	42.4	0	0	111.3	T47 D48 N49 E53 V54 D55	T47-Q51 WeakPolarHBondContact O-CB 3.41Å; T47-Q51 PolarHBondContact O-N 3.43Å; D48-Q51 PolarHBondContact O-N 2.89Å; N49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-E53 VanDerWaalsContact C-N 3.35Å; Q51-E53 PolarHBondContact O-N 3.41Å; Q51-V54 PolarHBondContact O-N 3.32Å; Q51-D55 PolarHBondContact NE2-OD1 3Å; Q51-D55 PolarHBondContact NE2-OD2 3.46Å; Q51-D55 WeakPolarHBondContact O-CB 3.48Å; Q51-D55 PolarHBondContact O-N 2.92Å
52	I	74.4	Confident	69.9	Low	90 Å²	90	99.1 Å²	99.1	46%	0.462	50%	0.497	S	S	.	.	H	α-helix	trans	-60.2	-44.1	175	-68.5	163.4	0	0	0	110.9	D48 N49 V54 D55 I56	D48-I52 WeakPolarHBondContact O-CD1 3.46Å; D48-I52 WeakPolarHBondContact O-CG1 3.49Å; D48-I52 PolarHBondContact O-N 3.23Å; N49-I52 PolarHBondContact O-N 3.35Å; I52-V54 PolarHBondContact O-N 3.32Å; I52-D55 PolarHBondContact O-N 2.86Å; I52-I56 HydrophobicContact CG2-CD1 3.74Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CB 3.39Å; I52-I56 VanDerWaalsContact O-CG1 3.26Å; I52-I56 WeakPolarHBondContact O-CG1 3.41Å; I52-I56 PolarHBondContact O-N 3.27Å
53	E	73.7	Confident	70.9	Confident	101 Å²	101	100.3 Å²	100.3	47%	0.472	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-39.8	-179.4	-160.8	163.5	-147.6	0	0	112	K28 N49 H50 Q51 I56 E57	K28-E53 IonicContact NZ-OE1 3.59Å; K28-E53 PolarHBondContact NZ-OE1 3.09Å; N49-E53 PolarHBondContact O-N 3.3Å; H50-E53 PolarHBondContact O-N 2.94Å; Q51-E53 VanDerWaalsContact C-N 3.35Å; Q51-E53 PolarHBondContact O-N 3.41Å; E53-I56 PolarHBondContact O-N 3.36Å; E53-E57 WeakPolarHBondContact O-CB 3.47Å; E53-E57 PolarHBondContact O-N 2.9Å
54	V	77.2	Confident	71.7	Confident	41 Å²	41	98.1 Å²	98.1	25%	0.248	48%	0.479	C	S	.	.	H	α-helix	trans	-64.5	-40.6	174.6	170.1	0	0	0	0	111.8	H50 Q51 I52 E57 K58	H50-V54 VanDerWaalsContact O-CG2 3.31Å; H50-V54 WeakPolarHBondContact O-CG2 3.25Å; H50-V54 PolarHBondContact O-N 3.41Å; H50-V54 VanDerWaalsContact O-N 3.1Å; Q51-V54 PolarHBondContact O-N 3.32Å; I52-V54 PolarHBondContact O-N 3.32Å; V54-E57 PolarHBondContact O-N 3.19Å; V54-K58 HydrophobicContact CG1-CD 4.27Å; V54-K58 WeakPolarHBondContact O-CG 3.48Å; V54-K58 PolarHBondContact O-N 3.12Å
55	D	78.6	Confident	72.5	Confident	76 Å²	76	93.6 Å²	93.6	41%	0.406	47%	0.469	S	S	.	.	H	α-helix	trans	-73.2	-34	-179.3	-70	-27.2	0	0	0	112	Q51 I52 K58 S59	Q51-D55 PolarHBondContact NE2-OD1 3Å; Q51-D55 PolarHBondContact NE2-OD2 3.46Å; Q51-D55 WeakPolarHBondContact O-CB 3.48Å; Q51-D55 PolarHBondContact O-N 2.92Å; I52-D55 PolarHBondContact O-N 2.86Å; D55-K58 IonicContact OD1-NZ 2.73Å; D55-S59 WeakPolarHBondContact O-CB 3.43Å; D55-S59 PolarHBondContact O-N 2.66Å
56	I	78.3	Confident	73	Confident	65 Å²	65	92.1 Å²	92.1	33%	0.333	46%	0.461	S	S	.	.	H	α-helix	trans	-62.4	-45.7	169	-69.7	168.6	0	0	0	110.3	I52 E53 K58 S59 I60	I52-I56 HydrophobicContact CG2-CD1 3.74Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CB 3.39Å; I52-I56 VanDerWaalsContact O-CG1 3.26Å; I52-I56 WeakPolarHBondContact O-CG1 3.41Å; I52-I56 PolarHBondContact O-N 3.27Å; E53-I56 PolarHBondContact O-N 3.36Å; I56-K58 PolarHBondContact O-N 2.88Å; I56-S59 WeakPolarHBondContact O-CB 3.2Å; I56-S59 PolarHBondContact O-N 2.7Å; I56-I60 HydrophobicContact CG2-CD1 3.76Å; I56-I60 HydrophobicContact CG2-CG1 4.41Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.48Å; I56-I60 PolarHBondContact O-N 2.97Å
57	E	79.4	Confident	72.6	Confident	120 Å²	120	91.4 Å²	91.4	56%	0.561	46%	0.456	S	S	*	.	H	α-helix	trans	-64.9	-40.8	179.9	-168.2	173.6	-166.1	0	0	112.1	E53 V54 I60 N61	E53-E57 WeakPolarHBondContact O-CB 3.47Å; E53-E57 PolarHBondContact O-N 2.9Å; V54-E57 PolarHBondContact O-N 3.19Å; E57-I60 PolarHBondContact O-N 2.85Å; E57-N61 WeakPolarHBondContact O-CB 3.49Å; E57-N61 PolarHBondContact O-N 2.73Å; E57-N61 PolarHBondContact O-ND2 3.17Å
58	K	77.5	Confident	72.2	Confident	122 Å²	122	91.9 Å²	91.9	53%	0.53	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-43.2	172	-75.7	173.6	-172.9	163.5	0	112.1	V54 D55 I56 N61 W62	V54-K58 HydrophobicContact CG1-CD 4.27Å; V54-K58 WeakPolarHBondContact O-CG 3.48Å; V54-K58 PolarHBondContact O-N 3.12Å; D55-K58 IonicContact OD1-NZ 2.73Å; I56-K58 PolarHBondContact O-N 2.88Å; K58-N61 PolarHBondContact O-N 2.81Å; K58-W62 VanDerWaalsContact O-CB 3.23Å; K58-W62 WeakPolarHBondContact O-CB 3.32Å; K58-W62 PolarHBondContact O-N 2.83Å
59	S	77.1	Confident	71.5	Confident	49 Å²	49	92 Å²	92	34%	0.343	46%	0.459	S	S	.	.	H	α-helix	trans	-59.8	-45.9	175	146.9	0	0	0	0	111.6	D55 I56 W62 K63	D55-S59 WeakPolarHBondContact O-CB 3.43Å; D55-S59 PolarHBondContact O-N 2.66Å; I56-S59 WeakPolarHBondContact O-CB 3.2Å; I56-S59 PolarHBondContact O-N 2.7Å; S59-W62 PolarHBondContact O-N 2.78Å; S59-K63 WeakPolarHBondContact O-CB 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.07Å; S59-K63 PolarHBondContact O-N 2.91Å
60	I	78.6	Confident	70.7	Confident	59 Å²	59	94.7 Å²	94.7	30%	0.303	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-44.7	177.6	-69.2	167.7	0	0	0	110.4	I56 E57 K63 K64	I56-I60 HydrophobicContact CG2-CD1 3.76Å; I56-I60 HydrophobicContact CG2-CG1 4.41Å; I56-I60 VanDerWaalsContact O-CG1 3.31Å; I56-I60 WeakPolarHBondContact O-CG1 3.48Å; I56-I60 PolarHBondContact O-N 2.97Å; E57-I60 PolarHBondContact O-N 2.85Å; I60-K63 PolarHBondContact O-N 3.28Å; I60-K64 HydrophobicContact CG2-CD 4.23Å; I60-K64 WeakPolarHBondContact O-CB 3.4Å; I60-K64 WeakPolarHBondContact O-CG 3.48Å; I60-K64 PolarHBondContact O-N 3.07Å
61	N	80.5	Confident	69.3	Low	87 Å²	87	95.2 Å²	95.2	47%	0.465	47%	0.474	S	S	.	.	H	α-helix	trans	-67.9	-37.2	179	-76.8	-25.4	0	0	0	112.2	E57 K58 K64 G65	E57-N61 WeakPolarHBondContact O-CB 3.49Å; E57-N61 PolarHBondContact O-N 2.73Å; E57-N61 PolarHBondContact O-ND2 3.17Å; K58-N61 PolarHBondContact O-N 2.81Å; N61-K64 PolarHBondContact O-N 3.3Å; N61-G65 PolarHBondContact O-N 3.47Å
62	W	76.1	Confident	67.8	Low	177 Å²	177	96.1 Å²	96.1	67%	0.67	48%	0.481	S	S	*	.	H	α-helix	trans	-64.6	-44.5	173	-176.8	72.6	0	0	0	111.6	K58 S59 G65 I66	K58-W62 VanDerWaalsContact O-CB 3.23Å; K58-W62 WeakPolarHBondContact O-CB 3.32Å; K58-W62 PolarHBondContact O-N 2.83Å; S59-W62 PolarHBondContact O-N 2.78Å; W62-G65 PolarHBondContact O-N 3.06Å; W62-I66 HydrophobicContact CD2-CD1 3.61Å; W62-I66 HydrophobicContact CE3-CD1 3.83Å; W62-I66 HydrophobicContact CG-CD1 4.33Å; W62-I66 HydrophobicContact CH2-CD1 3.64Å; W62-I66 HydrophobicContact CZ2-CD1 3.42Å; W62-I66 VanDerWaalsContact CZ2-CD1 3.42Å; W62-I66 HydrophobicContact CZ3-CD1 3.84Å; W62-I66 WeakPolarHBondContact O-CG1 3.43Å; W62-I66 PolarHBondContact O-N 3.28Å
63	K	73.9	Confident	66.4	Low	134 Å²	134	96.7 Å²	96.7	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-61.9	-42.2	173.2	-74.9	179.6	-178.6	-178	0	112.1	S59 I60 G65 I66 L67	S59-K63 WeakPolarHBondContact O-CB 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.07Å; S59-K63 PolarHBondContact O-N 2.91Å; I60-K63 PolarHBondContact O-N 3.28Å; K63-G65 VanDerWaalsContact C-N 3.35Å; K63-I66 PolarHBondContact O-N 3.11Å; K63-L67 WeakPolarHBondContact O-CB 3.38Å; K63-L67 PolarHBondContact O-N 3.22Å
64	K	70.4	Confident	65	Low	120 Å²	120	98.1 Å²	98.1	52%	0.522	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-39.9	173.4	-77.8	177.4	-178.8	172.9	0	111.8	I60 N61 L67 N68	I60-K64 HydrophobicContact CG2-CD 4.23Å; I60-K64 WeakPolarHBondContact O-CB 3.4Å; I60-K64 WeakPolarHBondContact O-CG 3.48Å; I60-K64 PolarHBondContact O-N 3.07Å; N61-K64 PolarHBondContact O-N 3.3Å; K64-L67 PolarHBondContact O-N 3.43Å; K64-N68 WeakPolarHBondContact O-CB 3.29Å; K64-N68 VanDerWaalsContact O-CG 3.31Å; K64-N68 PolarHBondContact O-N 2.97Å
65	G	67.3	Low	63.6	Low	35 Å²	35	103.6 Å²	103.6	36%	0.361	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-47.8	175.3	0	0	0	0	0	112.1	N61 W62 K63 N68 T69	N61-G65 PolarHBondContact O-N 3.47Å; W62-G65 PolarHBondContact O-N 3.06Å; K63-G65 VanDerWaalsContact C-N 3.35Å; G65-N68 PolarHBondContact O-N 3.42Å; G65-T69 PolarHBondContact O-N 3.29Å; G65-T69 PolarHBondContact O-OG1 2.88Å
66	I	67.1	Low	62.7	Low	63 Å²	63	103.8 Å²	103.8	32%	0.323	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-43.1	174.7	-71.4	166.8	0	0	0	111.3	W62 K63 N68 T69 L70	W62-I66 HydrophobicContact CD2-CD1 3.61Å; W62-I66 HydrophobicContact CE3-CD1 3.83Å; W62-I66 HydrophobicContact CG-CD1 4.33Å; W62-I66 HydrophobicContact CH2-CD1 3.64Å; W62-I66 HydrophobicContact CZ2-CD1 3.42Å; W62-I66 VanDerWaalsContact CZ2-CD1 3.42Å; W62-I66 HydrophobicContact CZ3-CD1 3.84Å; W62-I66 WeakPolarHBondContact O-CG1 3.43Å; W62-I66 PolarHBondContact O-N 3.28Å; K63-I66 PolarHBondContact O-N 3.11Å; I66-N68 PolarHBondContact O-N 3.19Å; I66-T69 WeakPolarHBondContact CA-OG1 3.29Å; I66-T69 PolarHBondContact O-N 3.13Å; I66-T69 PolarHBondContact O-OG1 3.25Å; I66-L70 HydrophobicContact CG2-CD1 3.73Å; I66-L70 WeakPolarHBondContact O-CB 3.47Å; I66-L70 WeakPolarHBondContact O-CD1 3.13Å; I66-L70 PolarHBondContact O-N 3.18Å
67	L	52.8	Low	62.6	Low	103 Å²	103	107.7 Å²	107.7	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-64.4	-32.7	177.9	-158	76	0	0	0	111.6	K63 K64 K71	K63-L67 WeakPolarHBondContact O-CB 3.38Å; K63-L67 PolarHBondContact O-N 3.22Å; K64-L67 PolarHBondContact O-N 3.43Å; L67-K71 WeakPolarHBondContact O-CG 3.34Å; L67-K71 PolarHBondContact O-N 3.48Å
68	N	54.3	Low	62.6	Low	98 Å²	98	103.4 Å²	103.4	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-77.1	-33.4	175.7	-76.8	-12	0	0	0	113	K64 G65 I66 K71	K64-N68 WeakPolarHBondContact O-CB 3.29Å; K64-N68 VanDerWaalsContact O-CG 3.31Å; K64-N68 PolarHBondContact O-N 2.97Å; G65-N68 PolarHBondContact O-N 3.42Å; I66-N68 PolarHBondContact O-N 3.19Å; N68-K71 WeakPolarHBondContact O-CB 3.25Å; N68-K71 PolarHBondContact O-N 2.77Å
69	T	53.8	Low	62.8	Low	87 Å²	87	99.4 Å²	99.4	53%	0.534	50%	0.502	S	S	.	.	H	α-helix	trans	-71.3	-34.2	171.8	53.3	0	0	0	0	111.9	G65 I66 K71 I72	G65-T69 PolarHBondContact O-N 3.29Å; G65-T69 PolarHBondContact O-OG1 2.88Å; I66-T69 WeakPolarHBondContact CA-OG1 3.29Å; I66-T69 PolarHBondContact O-N 3.13Å; I66-T69 PolarHBondContact O-OG1 3.25Å; T69-K71 PolarHBondContact O-N 2.88Å; T69-I72 WeakPolarHBondContact O-CB 3.32Å; T69-I72 VanDerWaalsContact O-CD1 3.3Å; T69-I72 WeakPolarHBondContact O-CD1 3.34Å; T69-I72 WeakPolarHBondContact O-CG1 3.26Å; T69-I72 PolarHBondContact O-N 3.36Å
70	L	50.9	Low	63	Low	136 Å²	136	99.7 Å²	99.7	71%	0.712	50%	0.498	S	S	*	.	H	α-helix	trans	-65.8	-21.7	168	-91.5	140.2	0	0	0	113.3	I66 I72	I66-L70 HydrophobicContact CG2-CD1 3.73Å; I66-L70 WeakPolarHBondContact O-CB 3.47Å; I66-L70 WeakPolarHBondContact O-CD1 3.13Å; I66-L70 PolarHBondContact O-N 3.18Å; L70-I72 VanDerWaalsContact C-N 3.33Å
71	K	42.6	Very low	63.1	Low	140 Å²	140	98.1 Å²	98.1	61%	0.609	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	0.4	173.7	-81	176.2	-176.5	174.5	0	114.1	L67 N68 T69 P73	L67-K71 WeakPolarHBondContact O-CG 3.34Å; L67-K71 PolarHBondContact O-N 3.48Å; N68-K71 WeakPolarHBondContact O-CB 3.25Å; N68-K71 PolarHBondContact O-N 2.77Å; T69-K71 PolarHBondContact O-N 2.88Å; K71-P73 WeakPolarHBondContact O-CD 3.25Å
72	I	40.3	Very low	63.2	Low	116 Å²	116	99.5 Å²	99.5	60%	0.595	50%	0.499	S	S	*	.	S	Bend	trans	-55.5	114.2	167.9	-63.9	165.1	0	0	0	105.9	T69 L70 M74	T69-I72 WeakPolarHBondContact O-CB 3.32Å; T69-I72 VanDerWaalsContact O-CD1 3.3Å; T69-I72 WeakPolarHBondContact O-CD1 3.34Å; T69-I72 WeakPolarHBondContact O-CG1 3.26Å; T69-I72 PolarHBondContact O-N 3.36Å; L70-I72 VanDerWaalsContact C-N 3.33Å; I72-M74 VanDerWaalsContact C-N 3.34Å; I72-M74 PolarHBondContact O-N 3.01Å
73	P	44.7	Very low	63.7	Low	101 Å²	101	93 Å²	93	66%	0.656	48%	0.48	S	S	*	.			trans	-63.5	104.6	179.5	25.2	-30.7	0	0	0	106.1	K71 N75	K71-P73 WeakPolarHBondContact O-CD 3.25Å; P73-N75 PolarHBondContact O-N 3.21Å
74	M	43.1	Very low	64.4	Low	132 Å²	132	90 Å²	90	65%	0.65	48%	0.477	S	S	*	.			trans	-51.8	109.8	167.6	-76.9	-103.1	-116.4	0	0	105.8	I72 F76	I72-M74 VanDerWaalsContact C-N 3.34Å; I72-M74 PolarHBondContact O-N 3.01Å; M74-F76 HydrophobicContact CB-CD2 3.68Å; M74-F76 HydrophobicContact CB-CE1 4.46Å; M74-F76 HydrophobicContact CB-CE2 3.36Å; M74-F76 HydrophobicContact CB-CG 4.36Å; M74-F76 HydrophobicContact CB-CZ 3.82Å; M74-F76 HydrophobicContact CE-CZ 4.03Å; M74-F76 HydrophobicContact CG-CE2 4.17Å; M74-F76 HydrophobicContact CG-CZ 4.28Å; M74-F76 WeakPolarHBondContact O-CD2 3.47Å; M74-F76 PolarHBondContact O-N 3.16Å; M74-F76 HydrophobicContact SD-CZ 4.41Å
75	N	48	Very low	65.4	Low	156 Å²	156	86.3 Å²	86.3	83%	0.834	47%	0.472	S	S	*	.			trans	-70.7	67.9	178.1	-81	-24.4	0	0	0	108.4	P73 F77	P73-N75 PolarHBondContact O-N 3.21Å; N75-F77 PolarHBondContact O-N 2.71Å
76	F	60.8	Low	66.5	Low	79 Å²	79	84.8 Å²	84.8	35%	0.346	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-64.1	127.3	173.9	-70	-68.2	0	0	0	108.4	M74 I78 F137 H154	M74-F76 HydrophobicContact CB-CD2 3.68Å; M74-F76 HydrophobicContact CB-CE1 4.46Å; M74-F76 HydrophobicContact CB-CE2 3.36Å; M74-F76 HydrophobicContact CB-CG 4.36Å; M74-F76 HydrophobicContact CB-CZ 3.82Å; M74-F76 HydrophobicContact CE-CZ 4.03Å; M74-F76 HydrophobicContact CG-CE2 4.17Å; M74-F76 HydrophobicContact CG-CZ 4.28Å; M74-F76 WeakPolarHBondContact O-CD2 3.47Å; M74-F76 PolarHBondContact O-N 3.16Å; M74-F76 HydrophobicContact SD-CZ 4.41Å; F76-I78 PolarHBondContact O-N 3.18Å; F76-F137 AromaticContact CD1-CE2 3.99Å; F76-F137 HydrophobicContact CD1-CE2 3.99Å; F76-F137 AromaticContact CD1-CZ 3.64Å; F76-F137 HydrophobicContact CD1-CZ 3.64Å; F76-F137 AromaticContact CE1-CE2 3.94Å; F76-F137 HydrophobicContact CE1-CE2 3.94Å; F76-F137 AromaticContact CE1-CZ 3.98Å; F76-F137 HydrophobicContact CE1-CZ 3.98Å; F76-H154 VanDerWaalsContact CB-NE2 3.34Å; F76-H154 WeakPolarHBondContact CB-NE2 3.46Å; F76-H154 PolarHBondContact O-NE2 3.1Å
77	F	75.6	Confident	67.8	Low	148 Å²	148	83 Å²	83	65%	0.649	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-59.3	118.3	178.5	-173.9	-96.6	0	0	0	110.3	N75 F79	N75-F77 PolarHBondContact O-N 2.71Å; F77-F79 HydrophobicContact CD1-CD1 4.2Å; F77-F79 HydrophobicContact CD1-CD2 4.01Å; F77-F79 AromaticContact CD1-CE1 3.94Å; F77-F79 HydrophobicContact CD1-CE1 3.94Å; F77-F79 AromaticContact CD1-CE2 3.74Å; F77-F79 HydrophobicContact CD1-CE2 3.74Å; F77-F79 HydrophobicContact CD1-CG 4.25Å; F77-F79 AromaticContact CD1-CZ 3.7Å; F77-F79 HydrophobicContact CD1-CZ 3.7Å; F77-F79 AromaticContact CE1-CD1 3.93Å; F77-F79 HydrophobicContact CE1-CD1 3.93Å; F77-F79 AromaticContact CE1-CE1 3.78Å; F77-F79 HydrophobicContact CE1-CE1 3.78Å; F77-F79 HydrophobicContact CE1-CE2 4.4Å; F77-F79 HydrophobicContact CE1-CG 4.32Å; F77-F79 HydrophobicContact CE1-CZ 4.03Å
78	I	79.7	Confident	69.7	Low	30 Å²	30	82.9 Å²	82.9	15%	0.154	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-87.3	119.6	-179.6	-61.5	170.7	0	0	0	108.7	F76 R152 H154	F76-I78 PolarHBondContact O-N 3.18Å; I78-R152 HydrophobicContact CD1-CB 3.62Å; I78-R152 HydrophobicContact CD1-CG 3.93Å; I78-R152 VanDerWaalsContact CD1-O 3.28Å; I78-R152 WeakPolarHBondContact CD1-O 3.46Å; I78-H154 WeakPolarHBondContact CG1-NE2 3.09Å
79	F	81.2	Confident	71.7	Confident	37 Å²	37	80.4 Å²	80.4	16%	0.162	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-79.1	127.1	174.6	-69.7	-92.7	0	0	0	110.1	F77 Y86 V138 N141 S143	F77-F79 HydrophobicContact CD1-CD1 4.2Å; F77-F79 HydrophobicContact CD1-CD2 4.01Å; F77-F79 AromaticContact CD1-CE1 3.94Å; F77-F79 HydrophobicContact CD1-CE1 3.94Å; F77-F79 AromaticContact CD1-CE2 3.74Å; F77-F79 HydrophobicContact CD1-CE2 3.74Å; F77-F79 HydrophobicContact CD1-CG 4.25Å; F77-F79 AromaticContact CD1-CZ 3.7Å; F77-F79 HydrophobicContact CD1-CZ 3.7Å; F77-F79 AromaticContact CE1-CD1 3.93Å; F77-F79 HydrophobicContact CE1-CD1 3.93Å; F77-F79 AromaticContact CE1-CE1 3.78Å; F77-F79 HydrophobicContact CE1-CE1 3.78Å; F77-F79 HydrophobicContact CE1-CE2 4.4Å; F77-F79 HydrophobicContact CE1-CG 4.32Å; F77-F79 HydrophobicContact CE1-CZ 4.03Å; F79-Y86 HydrophobicContact CB-CD2 4.21Å; F79-V138 HydrophobicContact CB-CG1 4.38Å; F79-V138 HydrophobicContact CD1-CG1 4.15Å; F79-V138 HydrophobicContact CD2-CB 4.35Å; F79-V138 HydrophobicContact CD2-CG1 3.72Å; F79-V138 HydrophobicContact CD2-CG2 4.4Å; F79-V138 HydrophobicContact CE1-CG1 4.36Å; F79-V138 HydrophobicContact CE2-CB 4.23Å; F79-V138 HydrophobicContact CE2-CG1 3.95Å; F79-V138 HydrophobicContact CE2-CG2 3.8Å; F79-V138 HydrophobicContact CG-CG1 3.82Å; F79-V138 HydrophobicContact CZ-CG1 4.26Å; F79-V138 HydrophobicContact CZ-CG2 3.92Å; F79-N141 HydrophobicContact CD2-CB 4.45Å; F79-N141 PolarHBondContact N-O 3.38Å; F79-S143 PolarHBondContact O-N 3.13Å; F79-S143 PolarHBondContact O-OG 3.14Å
80	H	81.6	Confident	73.7	Confident	56 Å²	56	76.2 Å²	76.2	26%	0.259	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-89.6	125.2	176.7	-67.1	97.6	0	0	0	109.5	N82 S83 Y86	H80-N82 PolarHBondContact O-N 3.3Å; H80-S83 PolarHBondContact O-N 2.98Å; H80-S83 PolarHBondContact O-OG 2.82Å; H80-Y86 VanDerWaalsContact O-CB 3.32Å; H80-Y86 WeakPolarHBondContact O-CB 3.38Å
81	S	80.4	Confident	75.8	Confident	26 Å²	26	72.1 Å²	72.1	18%	0.182	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24	-177.5	62.8	0	0	0	0	114.9	Y86 R207	S81-Y86 WeakPolarHBondContact O-CD1 3.45Å; S81-R207 PolarHBondContact O-NE 3.02Å; S81-R207 PolarHBondContact O-NH2 3.41Å
82	N	82	Confident	78.4	Confident	116 Å²	116	71.1 Å²	71.1	62%	0.62	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	2.4	-176.9	-61.3	10.9	0	0	0	112.8	H80 R211	H80-N82 PolarHBondContact O-N 3.3Å; N82-R211 PolarHBondContact O-NH2 2.98Å
83	S	87.7	Confident	81.1	Confident	39 Å²	39	65.6 Å²	65.6	27%	0.273	35%	0.351	S	S	.	.	S	Bend	trans	-76.1	153.1	177.5	66.9	0	0	0	0	111.5	H80 G85 Y86 L87	H80-S83 PolarHBondContact O-N 2.98Å; H80-S83 PolarHBondContact O-OG 2.82Å; S83-G85 VanDerWaalsContact C-N 3.29Å; S83-Y86 PolarHBondContact O-N 2.87Å; S83-Y86 PolarHBondContact OG-N 2.89Å; S83-L87 PolarHBondContact O-N 3.45Å
84	S	88.5	Confident	83.6	Confident	73 Å²	73	60.8 Å²	60.8	51%	0.51	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-34.6	172	-55.1	0	0	0	0	111.9	Y86 L87 I88 R211	S84-Y86 VanDerWaalsContact C-N 3.31Å; S84-Y86 PolarHBondContact O-N 3.02Å; S84-L87 WeakPolarHBondContact O-CB 3.49Å; S84-L87 PolarHBondContact O-N 2.85Å; S84-L87 VanDerWaalsContact O-N 3.1Å; S84-I88 WeakPolarHBondContact O-CG1 3.5Å; S84-I88 PolarHBondContact O-N 3.36Å; S84-R211 PolarHBondContact OG-NH1 2.74Å
85	G	89.9	Confident	86.1	Confident	41 Å²	41	60.2 Å²	60.2	42%	0.423	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-38.6	174.9	0	0	0	0	0	113.5	S83 I88 W89	S83-G85 VanDerWaalsContact C-N 3.29Å; G85-I88 PolarHBondContact O-N 2.94Å; G85-W89 PolarHBondContact O-N 2.84Å
86	Y	91.8	Very high	88.5	Confident	4 Å²	4	53 Å²	53	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-37	174.7	-179.9	-105.2	0	0	0	112.2	F79 H80 S81 S83 S84 W89 L90 T142 R200 E203	F79-Y86 HydrophobicContact CB-CD2 4.21Å; H80-Y86 VanDerWaalsContact O-CB 3.32Å; H80-Y86 WeakPolarHBondContact O-CB 3.38Å; S81-Y86 WeakPolarHBondContact O-CD1 3.45Å; S83-Y86 PolarHBondContact O-N 2.87Å; S83-Y86 PolarHBondContact OG-N 2.89Å; S84-Y86 VanDerWaalsContact C-N 3.31Å; S84-Y86 PolarHBondContact O-N 3.02Å; Y86-W89 PolarHBondContact O-N 2.87Å; Y86-L90 HydrophobicContact CD1-CD1 3.86Å; Y86-L90 HydrophobicContact CD1-CG 4.29Å; Y86-L90 HydrophobicContact CE1-CD1 3.36Å; Y86-L90 HydrophobicContact CE1-CD2 4.49Å; Y86-L90 HydrophobicContact CE1-CG 3.9Å; Y86-L90 HydrophobicContact CE2-CG 4.47Å; Y86-L90 WeakPolarHBondContact O-CB 3.49Å; Y86-L90 WeakPolarHBondContact O-CG 3.46Å; Y86-L90 PolarHBondContact O-N 2.96Å; Y86-T142 HydrophobicContact CE2-CG2 4.08Å; Y86-R200 PolarHBondContact OH-NH1 2.7Å; Y86-E203 PolarHBondContact OH-OE1 3.39Å
87	L	93.1	Very high	90.2	Very high	26 Å²	26	49.3 Å²	49.3	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-40.6	174.9	178.8	61.2	0	0	0	112.2	S83 S84 W89 L90 T91 R207 V208	S83-L87 PolarHBondContact O-N 3.45Å; S84-L87 WeakPolarHBondContact O-CB 3.49Å; S84-L87 PolarHBondContact O-N 2.85Å; S84-L87 VanDerWaalsContact O-N 3.1Å; L87-W89 VanDerWaalsContact C-N 3.34Å; L87-L90 PolarHBondContact O-N 3.08Å; L87-T91 PolarHBondContact O-N 3.34Å; L87-T91 PolarHBondContact O-OG1 2.88Å; L87-R207 HydrophobicContact CD1-CB 3.87Å; L87-V208 HydrophobicContact CD1-CG2 3.93Å
88	I	94.3	Very high	91.1	Very high	99 Å²	99	43.9 Å²	43.9	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-47.1	175	-67.9	165.2	0	0	0	109.7	S84 G85 L90 T91 F92	S84-I88 WeakPolarHBondContact O-CG1 3.5Å; S84-I88 PolarHBondContact O-N 3.36Å; G85-I88 PolarHBondContact O-N 2.94Å; I88-L90 PolarHBondContact O-N 3.32Å; I88-T91 WeakPolarHBondContact O-CA 3.18Å; I88-T91 VanDerWaalsContact O-CB 3.24Å; I88-T91 WeakPolarHBondContact O-CB 3.33Å; I88-T91 PolarHBondContact O-N 2.91Å; I88-F92 HydrophobicContact CG2-CD2 4.06Å; I88-F92 HydrophobicContact CG2-CE2 3.64Å; I88-F92 VanDerWaalsContact O-CD2 3.28Å; I88-F92 WeakPolarHBondContact O-CD2 3.39Å; I88-F92 PolarHBondContact O-N 3.36Å; I88-F92 VanDerWaalsContact O-N 3.15Å
89	W	95.7	Very high	91.9	Very high	46 Å²	46	44.2 Å²	44.2	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-47.2	174.9	177.5	-104.8	0	0	0	112.7	G85 Y86 L87 T91 F92 V93 T131 I134 D135 V138	G85-W89 PolarHBondContact O-N 2.84Å; Y86-W89 PolarHBondContact O-N 2.87Å; L87-W89 VanDerWaalsContact C-N 3.34Å; W89-T91 PolarHBondContact O-N 3.47Å; W89-F92 WeakPolarHBondContact O-CB 3.43Å; W89-F92 PolarHBondContact O-N 3.03Å; W89-F92 VanDerWaalsContact O-N 3.09Å; W89-V93 HydrophobicContact CD2-CG2 4.32Å; W89-V93 HydrophobicContact CZ2-CG2 3.85Å; W89-V93 WeakPolarHBondContact O-CG2 3.28Å; W89-V93 PolarHBondContact O-N 3.21Å; W89-T131 HydrophobicContact CH2-CG2 4.32Å; W89-I134 HydrophobicContact CH2-CB 3.81Å; W89-I134 HydrophobicContact CH2-CG2 3.36Å; W89-I134 HydrophobicContact CZ2-CB 4.14Å; W89-I134 HydrophobicContact CZ2-CG2 3.75Å; W89-I134 HydrophobicContact CZ3-CG2 4.16Å; W89-D135 HydrophobicContact CZ2-CB 3.86Å; W89-D135 PolarHBondContact NE1-OD1 2.91Å; W89-V138 HydrophobicContact CD2-CG2 4.25Å; W89-V138 HydrophobicContact CG-CG1 4.39Å; W89-V138 HydrophobicContact CZ2-CG2 4.02Å
90	L	95.9	Very high	92.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.8	-30.3	174.9	-79	-178.9	0	0	0	112.6	Y86 L87 I88 S94 E203 W204	Y86-L90 HydrophobicContact CD1-CD1 3.86Å; Y86-L90 HydrophobicContact CD1-CG 4.29Å; Y86-L90 HydrophobicContact CE1-CD1 3.36Å; Y86-L90 HydrophobicContact CE1-CD2 4.49Å; Y86-L90 HydrophobicContact CE1-CG 3.9Å; Y86-L90 HydrophobicContact CE2-CG 4.47Å; Y86-L90 WeakPolarHBondContact O-CB 3.49Å; Y86-L90 WeakPolarHBondContact O-CG 3.46Å; Y86-L90 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 3.08Å; I88-L90 PolarHBondContact O-N 3.32Å; L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.29Å; L90-S94 PolarHBondContact O-N 2.82Å; L90-S94 PolarHBondContact O-OG 2.75Å; L90-E203 HydrophobicContact CD1-CG 4.15Å; L90-W204 HydrophobicContact CB-CB 4.14Å; L90-W204 HydrophobicContact CB-CG 4.47Å
91	T	95.8	Very high	93.1	Very high	50 Å²	50	41 Å²	41	31%	0.307	23%	0.227	S	C	.	.	H	α-helix	trans	-67.7	-44.4	175.4	-53.8	0	0	0	0	110.9	L87 I88 W89 S94 M95 W204	L87-T91 PolarHBondContact O-N 3.34Å; L87-T91 PolarHBondContact O-OG1 2.88Å; I88-T91 WeakPolarHBondContact O-CA 3.18Å; I88-T91 VanDerWaalsContact O-CB 3.24Å; I88-T91 WeakPolarHBondContact O-CB 3.33Å; I88-T91 PolarHBondContact O-N 2.91Å; W89-T91 PolarHBondContact O-N 3.47Å; T91-S94 PolarHBondContact O-N 3.1Å; T91-M95 WeakPolarHBondContact O-CB 3.36Å; T91-M95 PolarHBondContact O-N 3.42Å; T91-W204 HydrophobicContact CG2-CZ2 4.42Å; T91-W204 PolarHBondContact OG1-NE1 3.49Å
92	F	96.4	Very high	93.9	Very high	118 Å²	118	43.2 Å²	43.2	52%	0.518	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-45.7	174	-74.7	-70.6	0	0	0	112.4	I88 W89 S94 M95 A96	I88-F92 HydrophobicContact CG2-CD2 4.06Å; I88-F92 HydrophobicContact CG2-CE2 3.64Å; I88-F92 VanDerWaalsContact O-CD2 3.28Å; I88-F92 WeakPolarHBondContact O-CD2 3.39Å; I88-F92 PolarHBondContact O-N 3.36Å; I88-F92 VanDerWaalsContact O-N 3.15Å; W89-F92 WeakPolarHBondContact O-CB 3.43Å; W89-F92 PolarHBondContact O-N 3.03Å; W89-F92 VanDerWaalsContact O-N 3.09Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 2.98Å; F92-M95 WeakPolarHBondContact O-CB 3.37Å; F92-M95 PolarHBondContact O-N 3.15Å; F92-A96 PolarHBondContact O-N 3.41Å
93	V	97.4	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-40.1	176.7	174.4	0	0	0	0	111.5	W89 A96 L97 T131 D135 R200	W89-V93 HydrophobicContact CD2-CG2 4.32Å; W89-V93 HydrophobicContact CZ2-CG2 3.85Å; W89-V93 WeakPolarHBondContact O-CG2 3.28Å; W89-V93 PolarHBondContact O-N 3.21Å; V93-A96 PolarHBondContact O-N 3.3Å; V93-L97 PolarHBondContact O-N 2.9Å; V93-L97 VanDerWaalsContact O-N 3.08Å; V93-T131 HydrophobicContact CG2-CG2 4.17Å; V93-D135 HydrophobicContact CG2-CB 4Å; V93-R200 HydrophobicContact CG1-CB 3.92Å; V93-R200 HydrophobicContact CG1-CG 4.2Å
94	S	96.7	Very high	94.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-68.9	-37.3	177.7	-57.5	0	0	0	0	111.4	L90 T91 F92 L97 L98 W204	L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.29Å; L90-S94 PolarHBondContact O-N 2.82Å; L90-S94 PolarHBondContact O-OG 2.75Å; T91-S94 PolarHBondContact O-N 3.1Å; F92-S94 VanDerWaalsContact C-N 3.3Å; F92-S94 PolarHBondContact O-N 2.98Å; S94-L97 WeakPolarHBondContact O-CB 3.45Å; S94-L97 PolarHBondContact O-N 2.93Å; S94-L98 WeakPolarHBondContact O-CG 3.45Å; S94-L98 PolarHBondContact O-N 3.25Å; S94-W204 WeakPolarHBondContact OG-CB 3.19Å; S94-W204 VanDerWaalsContact OG-CG 3.29Å
95	M	96.3	Very high	95.2	Very high	119 Å²	119	33 Å²	33	59%	0.586	17%	0.169	S	C	*	.	H	α-helix	trans	-62.5	-41.5	173.6	-167.3	64.2	71.1	0	0	111.8	T91 F92 L97 L98 Y99	T91-M95 WeakPolarHBondContact O-CB 3.36Å; T91-M95 PolarHBondContact O-N 3.42Å; F92-M95 WeakPolarHBondContact O-CB 3.37Å; F92-M95 PolarHBondContact O-N 3.15Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 3.43Å; M95-L98 PolarHBondContact O-N 2.96Å; M95-L98 HydrophobicContact SD-CD1 4.47Å; M95-Y99 PolarHBondContact O-N 3.19Å
96	A	97.1	Very high	95.4	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-37.4	174.3	0	0	0	0	0	112.3	F92 V93 N100 T128 T131 Y132	F92-A96 PolarHBondContact O-N 3.41Å; V93-A96 PolarHBondContact O-N 3.3Å; A96-N100 PolarHBondContact O-N 3.37Å; A96-N100 VanDerWaalsContact O-N 3.14Å; A96-N100 PolarHBondContact O-ND2 2.83Å; A96-T128 HydrophobicContact CB-CG2 3.79Å; A96-T131 HydrophobicContact CB-CG2 4.1Å; A96-Y132 HydrophobicContact CB-CD1 4.47Å; A96-Y132 HydrophobicContact CB-CE1 3.97Å
97	L	96.4	Very high	95.6	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-44.3	171.9	-178.5	76.8	0	0	0	111.4	V93 S94 M95 Y99 N100 L101 Y132 F195 K197 W198 C201	V93-L97 PolarHBondContact O-N 2.9Å; V93-L97 VanDerWaalsContact O-N 3.08Å; S94-L97 WeakPolarHBondContact O-CB 3.45Å; S94-L97 PolarHBondContact O-N 2.93Å; M95-L97 VanDerWaalsContact C-N 3.32Å; M95-L97 PolarHBondContact O-N 3.43Å; L97-Y99 VanDerWaalsContact C-N 3.31Å; L97-Y99 PolarHBondContact O-N 3.15Å; L97-N100 CarbonylContact O-C 3.41Å; L97-N100 PolarHBondContact O-N 2.97Å; L97-N100 VanDerWaalsContact O-N 3.1Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 PolarHBondContact O-N 3.14Å; L97-Y132 WeakPolarHBondContact CA-OH 3.41Å; L97-Y132 WeakPolarHBondContact CD1-OH 3.4Å; L97-F195 HydrophobicContact CD1-CD1 4.32Å; L97-K197 HydrophobicContact CD1-CB 4.3Å; L97-W198 HydrophobicContact CD2-CE3 4.13Å; L97-C201 HydrophobicContact CD2-CB 3.33Å
98	L	95.2	Very high	95.7	Very high	34 Å²	34	32.1 Å²	32.1	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-60.5	-41.2	178.2	-71.5	178.6	0	0	0	111.6	S94 M95 N100 L101 W102 H225	S94-L98 WeakPolarHBondContact O-CG 3.45Å; S94-L98 PolarHBondContact O-N 3.25Å; M95-L98 PolarHBondContact O-N 2.96Å; M95-L98 HydrophobicContact SD-CD1 4.47Å; L98-N100 PolarHBondContact O-N 3.33Å; L98-L101 HydrophobicContact CD2-CD2 4.37Å; L98-L101 WeakPolarHBondContact O-CA 3.16Å; L98-L101 WeakPolarHBondContact O-CB 3.48Å; L98-L101 PolarHBondContact O-N 3.08Å; L98-W102 VanDerWaalsContact O-CD1 3.31Å; L98-W102 PolarHBondContact O-N 3.25Å; L98-H225 VanDerWaalsContact CD2-CE1 3.42Å; L98-H225 WeakPolarHBondContact CD2-CE1 3.3Å
99	Y	96	Very high	95.7	Very high	36 Å²	36	27.4 Å²	27.4	14%	0.141	13%	0.131	C	C	.	.	H	α-helix	trans	-55.3	-52	170.3	165.2	-98	0	0	0	111.2	M95 L97 L101 W102 A103 P104 R107 W121 L124 D125 T128	M95-Y99 PolarHBondContact O-N 3.19Å; L97-Y99 VanDerWaalsContact C-N 3.31Å; L97-Y99 PolarHBondContact O-N 3.15Å; Y99-L101 PolarHBondContact O-N 2.73Å; Y99-L101 VanDerWaalsContact O-N 3.11Å; Y99-W102 PolarHBondContact O-N 3.19Å; Y99-A103 HydrophobicContact CD2-CB 3.83Å; Y99-A103 HydrophobicContact CE2-CB 3.48Å; Y99-A103 VanDerWaalsContact CE2-CB 3.48Å; Y99-A103 WeakPolarHBondContact O-CB 3.38Å; Y99-A103 PolarHBondContact O-N 3.46Å; Y99-P104 WeakPolarHBondContact O-CD 3.38Å; Y99-R107 PolarHBondContact OH-NH1 2.79Å; Y99-W121 HydrophobicContact CE2-CE3 4.16Å; Y99-W121 HydrophobicContact CE2-CZ3 4.09Å; Y99-L124 HydrophobicContact CD2-CB 4.43Å; Y99-L124 HydrophobicContact CD2-CD1 4.35Å; Y99-L124 HydrophobicContact CE1-CB 4.31Å; Y99-L124 HydrophobicContact CE2-CB 3.7Å; Y99-L124 HydrophobicContact CE2-CD1 3.75Å; Y99-L124 HydrophobicContact CE2-CG 4.33Å; Y99-D125 WeakPolarHBondContact CE1-OD1 3.42Å; Y99-D125 PolarHBondContact OH-OD1 3.28Å; Y99-T128 HydrophobicContact CD1-CG2 3.38Å; Y99-T128 HydrophobicContact CE1-CG2 4.01Å; Y99-T128 HydrophobicContact CG-CG2 4.01Å
100	N	95.2	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-18.9	178.5	-77.3	-69.3	0	0	0	112.2	A96 L97 L98 P104 T128 R191 R194 F195	A96-N100 PolarHBondContact O-N 3.37Å; A96-N100 VanDerWaalsContact O-N 3.14Å; A96-N100 PolarHBondContact O-ND2 2.83Å; L97-N100 CarbonylContact O-C 3.41Å; L97-N100 PolarHBondContact O-N 2.97Å; L97-N100 VanDerWaalsContact O-N 3.1Å; L98-N100 PolarHBondContact O-N 3.33Å; N100-P104 WeakPolarHBondContact O-CD 3.16Å; N100-P104 WeakPolarHBondContact O-CG 3.38Å; N100-T128 PolarHBondContact ND2-OG1 2.62Å; N100-R191 PolarHBondContact OD1-NE 3.04Å; N100-R194 HydrophobicContact CB-CB 4.29Å; N100-F195 HydrophobicContact CB-CE1 4.32Å; N100-F195 WeakPolarHBondContact O-CE1 2.79Å; N100-F195 WeakPolarHBondContact O-CZ 3.48Å
101	L	94.2	Very high	95.3	Very high	25 Å²	25	28.2 Å²	28.2	13%	0.131	14%	0.14	C	C	.	.	H	α-helix	trans	-88.9	-30.4	-179.5	-167	61.8	0	0	0	114	L97 L98 Y99 F195 L229 W233	L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 PolarHBondContact O-N 3.14Å; L98-L101 HydrophobicContact CD2-CD2 4.37Å; L98-L101 WeakPolarHBondContact O-CA 3.16Å; L98-L101 WeakPolarHBondContact O-CB 3.48Å; L98-L101 PolarHBondContact O-N 3.08Å; Y99-L101 PolarHBondContact O-N 2.73Å; Y99-L101 VanDerWaalsContact O-N 3.11Å; L101-F195 HydrophobicContact CB-CE1 3.72Å; L101-F195 HydrophobicContact CD1-CD1 3.85Å; L101-F195 HydrophobicContact CD1-CE1 3.42Å; L101-F195 VanDerWaalsContact CD1-CE1 3.42Å; L101-F195 HydrophobicContact CD1-CZ 3.99Å; L101-F195 HydrophobicContact CG-CE1 4.16Å; L101-L229 HydrophobicContact CD1-CD2 4.2Å; L101-L229 HydrophobicContact CD2-CD1 4.27Å; L101-L229 HydrophobicContact CD2-CD2 3.32Å; L101-L229 HydrophobicContact CD2-CG 4.44Å; L101-L229 HydrophobicContact CG-CD1 3.8Å; L101-L229 HydrophobicContact CG-CD2 3.62Å; L101-L229 HydrophobicContact CG-CG 4.32Å; L101-W233 HydrophobicContact CD1-CZ2 3.98Å; L101-W233 PolarHBondContact O-NE1 3.36Å
102	W	95.5	Very high	95	Very high	73 Å²	73	30.6 Å²	30.6	28%	0.277	15%	0.148	S	C	.	.	H	α-helix	trans	-94.9	-48.9	177.8	-78	79	0	0	0	112	L98 Y99 H225 F228 L229 H232	L98-W102 VanDerWaalsContact O-CD1 3.31Å; L98-W102 PolarHBondContact O-N 3.25Å; Y99-W102 PolarHBondContact O-N 3.19Å; W102-H225 AromaticContact CE2-NE2 3.93Å; W102-H225 AromaticContact NE1-NE2 3.24Å; W102-H225 PolarHBondContact NE1-NE2 3.46Å; W102-F228 HydrophobicContact CH2-CB 4.05Å; W102-F228 HydrophobicContact CZ2-CB 4.37Å; W102-L229 HydrophobicContact CD2-CD1 4Å; W102-L229 HydrophobicContact CG-CD1 4.08Å; W102-L229 HydrophobicContact CZ2-CB 3.96Å; W102-L229 HydrophobicContact CZ2-CD1 4.16Å; W102-H232 HydrophobicContact CE3-CB 4.15Å; W102-H232 AromaticContact CE3-CD2 3.76Å; W102-H232 AromaticContact CE3-CG 3.65Å; W102-H232 AromaticContact CE3-ND1 3.84Å; W102-H232 HydrophobicContact CH2-CB 4.19Å; W102-H232 HydrophobicContact CZ3-CB 3.7Å; W102-H232 AromaticContact CZ3-CG 3.62Å; W102-H232 AromaticContact CZ3-ND1 3.8Å; W102-H232 PolarHBondContact O-NE2 2.97Å
103	A	95.4	Very high	94.8	Very high	11 Å²	11	26.9 Å²	26.9	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-73.5	-48	-165.8	0	0	0	0	0	115	Y99 I105 A106 R107 W121	Y99-A103 HydrophobicContact CD2-CB 3.83Å; Y99-A103 HydrophobicContact CE2-CB 3.48Å; Y99-A103 VanDerWaalsContact CE2-CB 3.48Å; Y99-A103 WeakPolarHBondContact O-CB 3.38Å; Y99-A103 PolarHBondContact O-N 3.46Å; A103-I105 PolarHBondContact O-N 3.36Å; A103-A106 PolarHBondContact O-N 3.37Å; A103-R107 WeakPolarHBondContact O-CB 3.39Å; A103-R107 WeakPolarHBondContact O-CD 3.19Å; A103-R107 WeakPolarHBondContact O-CG 3.36Å; A103-R107 PolarHBondContact O-N 3.48Å; A103-W121 HydrophobicContact CB-CZ3 4.16Å
104	P	95	Very high	94.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-42	-172.8	-28.6	38.6	0	0	0	114.3	Y99 N100 R107 Q108 R191	Y99-P104 WeakPolarHBondContact O-CD 3.38Å; N100-P104 WeakPolarHBondContact O-CD 3.16Å; N100-P104 WeakPolarHBondContact O-CG 3.38Å; P104-R107 PolarHBondContact O-N 2.92Å; P104-Q108 WeakPolarHBondContact O-CB 3.16Å; P104-Q108 PolarHBondContact O-N 3.11Å; P104-R191 HydrophobicContact CG-CB 4.28Å
105	I	95.7	Very high	94.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-40.3	179.9	-170.5	60.3	0	0	0	111.5	A103 Q108 A109 M189 W233 A236 F237 L240	A103-I105 PolarHBondContact O-N 3.36Å; I105-Q108 PolarHBondContact O-N 2.83Å; I105-A109 WeakPolarHBondContact O-CB 3.43Å; I105-A109 PolarHBondContact O-N 3.45Å; I105-M189 HydrophobicContact CD1-CE 3.89Å; I105-M189 HydrophobicContact CD1-SD 4.41Å; I105-W233 HydrophobicContact CB-CD2 4.38Å; I105-W233 HydrophobicContact CB-CZ2 4.37Å; I105-W233 HydrophobicContact CD1-CE3 4.45Å; I105-W233 HydrophobicContact CG1-CD2 4.22Å; I105-W233 HydrophobicContact CG1-CE3 4.12Å; I105-W233 HydrophobicContact CG1-CZ3 4.46Å; I105-W233 HydrophobicContact CG2-CD2 4.13Å; I105-W233 HydrophobicContact CG2-CG 4.3Å; I105-W233 HydrophobicContact CG2-CZ2 4.28Å; I105-A236 HydrophobicContact CD1-CB 4.31Å; I105-A236 HydrophobicContact CG1-CB 3.62Å; I105-F237 HydrophobicContact CD1-CE1 4.41Å; I105-F237 HydrophobicContact CD1-CZ 4.36Å; I105-L240 HydrophobicContact CD1-CD1 4.26Å
106	A	95.4	Very high	94.1	Very high	9 Å²	9	31.4 Å²	31.4	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-45.7	174.2	0	0	0	0	0	111.8	A103 Q108 A109 F110 L113	A103-A106 PolarHBondContact O-N 3.37Å; A106-Q108 VanDerWaalsContact C-N 3.28Å; A106-Q108 PolarHBondContact O-N 2.81Å; A106-A109 PolarHBondContact O-N 2.84Å; A106-F110 HydrophobicContact CB-CD2 4.4Å; A106-F110 WeakPolarHBondContact O-CB 3.21Å; A106-F110 VanDerWaalsContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CD2 3.45Å; A106-F110 PolarHBondContact O-N 3.38Å; A106-L113 HydrophobicContact CB-CD2 4.19Å
107	R	94.9	Very high	93.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-34.7	178.1	-70.1	163.4	59.1	-174.3	-2.4	112	Y99 A103 P104 Q114 W121 D125 P188	Y99-R107 PolarHBondContact OH-NH1 2.79Å; A103-R107 WeakPolarHBondContact O-CB 3.39Å; A103-R107 WeakPolarHBondContact O-CD 3.19Å; A103-R107 WeakPolarHBondContact O-CG 3.36Å; A103-R107 PolarHBondContact O-N 3.48Å; P104-R107 PolarHBondContact O-N 2.92Å; R107-Q114 HydrophobicContact CB-CB 4.46Å; R107-Q114 VanDerWaalsContact CZ-OE1 3.28Å; R107-W121 HydrophobicContact CG-CD2 4.18Å; R107-W121 HydrophobicContact CG-CZ2 4.35Å; R107-D125 IonicContact CZ-OD1 3.97Å; R107-D125 IonicContact CZ-OD2 3.76Å; R107-D125 IonicContact NH1-OD1 3.69Å; R107-D125 PolarHBondContact NH1-OD1 2.7Å; R107-D125 IonicContact NH1-OD2 3.81Å; R107-D125 PolarHBondContact NH1-OD2 2.88Å; R107-D125 IonicContact NH2-OD2 2.6Å; R107-D125 PolarHBondContact NH2-OD2 3.06Å; R107-P188 HydrophobicContact CB-CB 3.84Å; R107-P188 HydrophobicContact CB-CG 3.72Å
108	Q	94.9	Very high	93.7	Very high	42 Å²	42	40.4 Å²	40.4	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-71.7	-44.3	176.3	-171.3	69.1	44.4	0	0	111.8	P104 I105 A106 P188 M189 L240	P104-Q108 WeakPolarHBondContact O-CB 3.16Å; P104-Q108 PolarHBondContact O-N 3.11Å; I105-Q108 PolarHBondContact O-N 2.83Å; A106-Q108 VanDerWaalsContact C-N 3.28Å; A106-Q108 PolarHBondContact O-N 2.81Å; Q108-P188 VanDerWaalsContact OE1-CD 3.3Å; Q108-M189 HydrophobicContact CG-CB 4.32Å; Q108-L240 HydrophobicContact CG-CD2 4.46Å
109	A	94.8	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-53.6	-179.7	0	0	0	0	0	112	I105 A106 T111 A236 Y239 L240	I105-A109 WeakPolarHBondContact O-CB 3.43Å; I105-A109 PolarHBondContact O-N 3.45Å; A106-A109 PolarHBondContact O-N 2.84Å; A109-T111 PolarHBondContact O-N 3.4Å; A109-A236 HydrophobicContact CB-CB 3.69Å; A109-Y239 HydrophobicContact CB-CD1 4.34Å; A109-Y239 VanDerWaalsContact O-CD1 3.25Å; A109-Y239 WeakPolarHBondContact O-CD1 3.12Å; A109-Y239 WeakPolarHBondContact O-CE1 3.28Å; A109-L240 HydrophobicContact CB-CD1 4.02Å; A109-L240 HydrophobicContact CB-CD2 4.29Å; A109-L240 HydrophobicContact CB-CG 3.72Å
110	F	93.8	Very high	93.6	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.035	24%	0.239	C	C	.	.			trans	-97.2	79.9	-175.1	-50.7	-72.9	0	0	0	109.4	A106 E112 L113 A236 Y239 I264 I267 Y268	A106-F110 HydrophobicContact CB-CD2 4.4Å; A106-F110 WeakPolarHBondContact O-CB 3.21Å; A106-F110 VanDerWaalsContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CD2 3.45Å; A106-F110 PolarHBondContact O-N 3.38Å; F110-E112 PolarHBondContact O-N 2.81Å; F110-E112 VanDerWaalsContact O-N 3.1Å; F110-L113 HydrophobicContact CB-CB 4.14Å; F110-L113 WeakPolarHBondContact O-CB 3.43Å; F110-L113 PolarHBondContact O-N 3.44Å; F110-A236 HydrophobicContact CE2-CB 4.47Å; F110-Y239 AromaticContact CD1-CD1 3.88Å; F110-Y239 HydrophobicContact CD1-CD1 3.88Å; F110-Y239 HydrophobicContact CD1-CE1 4.08Å; F110-Y239 HydrophobicContact CD1-CG 4.25Å; F110-Y239 AromaticContact CE1-CD1 3.84Å; F110-Y239 HydrophobicContact CE1-CD1 3.84Å; F110-Y239 HydrophobicContact CE1-CD2 4.31Å; F110-Y239 HydrophobicContact CE1-CE1 4.42Å; F110-Y239 AromaticContact CE1-CG 3.76Å; F110-Y239 HydrophobicContact CE1-CG 3.76Å; F110-I264 HydrophobicContact CB-CG2 4.47Å; F110-I267 HydrophobicContact CD1-CG2 4.14Å; F110-I267 HydrophobicContact CE1-CG2 3.97Å; F110-Y268 HydrophobicContact CD2-CD2 4.26Å; F110-Y268 AromaticContact CE2-CD2 3.55Å; F110-Y268 HydrophobicContact CE2-CD2 3.55Å; F110-Y268 HydrophobicContact CE2-CE2 4.28Å; F110-Y268 AromaticContact CZ-CD2 3.77Å; F110-Y268 HydrophobicContact CZ-CD2 3.77Å
111	T	89.5	Confident	93.6	Very high	54 Å²	54	49.9 Å²	49.9	33%	0.331	25%	0.245	S	C	.	.	H	α-helix	trans	-57	-30.1	-173.2	47.2	0	0	0	0	114.2	A109 L113 Q114 I115 K243	A109-T111 PolarHBondContact O-N 3.4Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 3.26Å; T111-Q114 WeakPolarHBondContact O-CB 3.46Å; T111-Q114 PolarHBondContact O-N 2.92Å; T111-I115 WeakPolarHBondContact O-CG1 3.27Å; T111-I115 PolarHBondContact O-N 2.91Å; T111-I115 VanDerWaalsContact O-N 3.12Å; T111-K243 PolarHBondContact OG1-NZ 2.82Å
112	E	89.1	Confident	93.6	Very high	101 Å²	101	51.8 Å²	51.8	47%	0.472	25%	0.253	S	S	.	.	H	α-helix	trans	-65.4	-32.5	174.8	-65.4	179.1	-174.8	0	0	112.8	F110 Q114 I115 T116 I264	F110-E112 PolarHBondContact O-N 2.81Å; F110-E112 VanDerWaalsContact O-N 3.1Å; E112-Q114 VanDerWaalsContact C-N 3.26Å; E112-Q114 PolarHBondContact O-N 2.8Å; E112-I115 PolarHBondContact O-N 2.82Å; E112-T116 VanDerWaalsContact O-CB 3.26Å; E112-T116 WeakPolarHBondContact O-CB 3.44Å; E112-T116 PolarHBondContact O-N 2.98Å; E112-T116 PolarHBondContact O-OG1 3.06Å; E112-I264 HydrophobicContact CB-CD1 3.57Å; E112-I264 HydrophobicContact CB-CG1 3.81Å; E112-I264 WeakPolarHBondContact OE2-CG1 3.34Å
113	L	92.1	Very high	93.6	Very high	39 Å²	39	51.9 Å²	51.9	20%	0.204	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-37.8	173.8	-175.9	69.7	0	0	0	110.9	A106 F110 T111 Y117 W121 I264	A106-L113 HydrophobicContact CB-CD2 4.19Å; F110-L113 HydrophobicContact CB-CB 4.14Å; F110-L113 WeakPolarHBondContact O-CB 3.43Å; F110-L113 PolarHBondContact O-N 3.44Å; T111-L113 VanDerWaalsContact C-N 3.3Å; T111-L113 PolarHBondContact O-N 3.26Å; L113-Y117 HydrophobicContact CD1-CD2 4.02Å; L113-Y117 HydrophobicContact CD1-CE2 4.25Å; L113-Y117 PolarHBondContact O-N 3.04Å; L113-W121 HydrophobicContact CD1-CZ2 4.18Å; L113-W121 HydrophobicContact CD2-CZ2 4.24Å; L113-W121 HydrophobicContact CG-CZ2 3.95Å; L113-W121 PolarHBondContact O-NE1 3.36Å; L113-I264 HydrophobicContact CB-CG2 4.43Å
114	Q	92.2	Very high	93.6	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-69.9	-44.2	177.8	173.6	57.9	47.6	0	0	111.7	R107 T111 E112 Q118 I186 P188	R107-Q114 HydrophobicContact CB-CB 4.46Å; R107-Q114 VanDerWaalsContact CZ-OE1 3.28Å; T111-Q114 WeakPolarHBondContact O-CB 3.46Å; T111-Q114 PolarHBondContact O-N 2.92Å; E112-Q114 VanDerWaalsContact C-N 3.26Å; E112-Q114 PolarHBondContact O-N 2.8Å; Q114-Q118 WeakPolarHBondContact O-CA 3.2Å; Q114-Q118 WeakPolarHBondContact O-CB 3.33Å; Q114-Q118 PolarHBondContact O-N 3.36Å; Q114-I186 HydrophobicContact CG-CG2 4.07Å; Q114-P188 HydrophobicContact CG-CG 4.4Å
115	I	91.3	Very high	93.6	Very high	119 Å²	119	54.2 Å²	54.2	61%	0.61	28%	0.275	S	S	*	.	H	α-helix	trans	-70.8	-45.7	-177.3	-64.5	167.4	0	0	0	110.7	T111 E112 Y117	T111-I115 WeakPolarHBondContact O-CG1 3.27Å; T111-I115 PolarHBondContact O-N 2.91Å; T111-I115 VanDerWaalsContact O-N 3.12Å; E112-I115 PolarHBondContact O-N 2.82Å; I115-Y117 PolarHBondContact O-N 3.29Å
116	T	92.3	Very high	93.5	Very high	85 Å²	85	59 Å²	59	52%	0.521	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-39.8	-175.3	-53.9	0	0	0	0	112.5	E112	E112-T116 VanDerWaalsContact O-CB 3.26Å; E112-T116 WeakPolarHBondContact O-CB 3.44Å; E112-T116 PolarHBondContact O-N 2.98Å; E112-T116 PolarHBondContact O-OG1 3.06Å
117	Y	93.4	Very high	93.6	Very high	125 Å²	125	64.1 Å²	64.1	49%	0.49	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	29.7	-174.5	-58	-74.1	0	0	0	113.2	L113 I115 M119 L120 W121	L113-Y117 HydrophobicContact CD1-CD2 4.02Å; L113-Y117 HydrophobicContact CD1-CE2 4.25Å; L113-Y117 PolarHBondContact O-N 3.04Å; I115-Y117 PolarHBondContact O-N 3.29Å; Y117-M119 VanDerWaalsContact C-N 3.34Å; Y117-M119 PolarHBondContact O-N 3.01Å; Y117-L120 WeakPolarHBondContact O-CB 3.45Å; Y117-L120 PolarHBondContact O-N 2.96Å; Y117-L120 VanDerWaalsContact O-N 3.11Å; Y117-W121 PolarHBondContact O-N 3.33Å; Y117-W121 VanDerWaalsContact O-N 3.1Å
118	Q	92.4	Very high	93.6	Very high	71 Å²	71	64.2 Å²	64.2	33%	0.332	32%	0.322	S	S	.	.	H	α-helix	trans	-51.9	-45.4	-172.4	-179	169	-33.9	0	0	114	Q114 W121 F122	Q114-Q118 WeakPolarHBondContact O-CA 3.2Å; Q114-Q118 WeakPolarHBondContact O-CB 3.33Å; Q114-Q118 PolarHBondContact O-N 3.36Å; Q118-W121 PolarHBondContact O-N 3.34Å; Q118-F122 HydrophobicContact CG-CD2 3.84Å; Q118-F122 HydrophobicContact CG-CE2 3.43Å; Q118-F122 VanDerWaalsContact CG-CE2 3.43Å; Q118-F122 HydrophobicContact CG-CZ 4.38Å; Q118-F122 VanDerWaalsContact O-CD2 3.24Å; Q118-F122 WeakPolarHBondContact O-CD2 3.5Å; Q118-F122 PolarHBondContact O-N 3.08Å; Q118-F122 VanDerWaalsContact O-N 3.09Å
119	M	93.8	Very high	93.6	Very high	145 Å²	145	63.5 Å²	63.5	71%	0.714	32%	0.319	S	S	*	.	H	α-helix	trans	-66.7	-37.4	-179.1	-65.4	-56.1	-67.7	0	0	113.2	Y117 S123	Y117-M119 VanDerWaalsContact C-N 3.34Å; Y117-M119 PolarHBondContact O-N 3.01Å; M119-S123 PolarHBondContact O-N 3.26Å; M119-S123 VanDerWaalsContact O-N 3.16Å; M119-S123 PolarHBondContact O-OG 3.01Å
120	L	95.8	Very high	93.7	Very high	90 Å²	90	67.8 Å²	67.8	47%	0.471	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-45.6	175	175.1	64.1	0	0	0	110.2	Y117 F122 S123 L124	Y117-L120 WeakPolarHBondContact O-CB 3.45Å; Y117-L120 PolarHBondContact O-N 2.96Å; Y117-L120 VanDerWaalsContact O-N 3.11Å; L120-F122 PolarHBondContact O-N 3.44Å; L120-S123 WeakPolarHBondContact O-CB 3.49Å; L120-S123 PolarHBondContact O-N 3.48Å; L120-L124 HydrophobicContact CD1-CD1 4.15Å; L120-L124 HydrophobicContact CD1-CG 4.29Å; L120-L124 HydrophobicContact CG-CD1 4.11Å; L120-L124 WeakPolarHBondContact O-CG 3.3Å; L120-L124 PolarHBondContact O-N 2.98Å
121	W	94.8	Very high	93.9	Very high	34 Å²	34	67.9 Å²	67.9	13%	0.129	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-45	-179.9	-63.4	131.7	0	0	0	112.6	Y99 A103 R107 L113 Y117 Q118 S123 L124 D125	Y99-W121 HydrophobicContact CE2-CE3 4.16Å; Y99-W121 HydrophobicContact CE2-CZ3 4.09Å; A103-W121 HydrophobicContact CB-CZ3 4.16Å; R107-W121 HydrophobicContact CG-CD2 4.18Å; R107-W121 HydrophobicContact CG-CZ2 4.35Å; L113-W121 HydrophobicContact CD1-CZ2 4.18Å; L113-W121 HydrophobicContact CD2-CZ2 4.24Å; L113-W121 HydrophobicContact CG-CZ2 3.95Å; L113-W121 PolarHBondContact O-NE1 3.36Å; Y117-W121 PolarHBondContact O-N 3.33Å; Y117-W121 VanDerWaalsContact O-N 3.1Å; Q118-W121 PolarHBondContact O-N 3.34Å; W121-S123 VanDerWaalsContact C-N 3.28Å; W121-S123 PolarHBondContact O-N 2.9Å; W121-L124 HydrophobicContact CE3-CD1 4.05Å; W121-L124 HydrophobicContact CZ3-CD1 4.04Å; W121-L124 PolarHBondContact O-N 2.84Å; W121-D125 WeakPolarHBondContact O-CB 3.41Å; W121-D125 PolarHBondContact O-N 3.23Å
122	F	92.7	Very high	94.2	Very high	66 Å²	66	65.3 Å²	65.3	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-38.4	175.5	-75.5	-54	0	0	0	112.7	Q118 L120 D125 I126 I186	Q118-F122 HydrophobicContact CG-CD2 3.84Å; Q118-F122 HydrophobicContact CG-CE2 3.43Å; Q118-F122 VanDerWaalsContact CG-CE2 3.43Å; Q118-F122 HydrophobicContact CG-CZ 4.38Å; Q118-F122 VanDerWaalsContact O-CD2 3.24Å; Q118-F122 WeakPolarHBondContact O-CD2 3.5Å; Q118-F122 PolarHBondContact O-N 3.08Å; Q118-F122 VanDerWaalsContact O-N 3.09Å; L120-F122 PolarHBondContact O-N 3.44Å; F122-D125 PolarHBondContact O-N 3.06Å; F122-I126 WeakPolarHBondContact O-CB 3.25Å; F122-I126 VanDerWaalsContact O-CG1 3.28Å; F122-I126 WeakPolarHBondContact O-CG1 3.36Å; F122-I126 PolarHBondContact O-N 3.4Å; F122-I186 HydrophobicContact CZ-CD1 4.21Å
123	S	95.7	Very high	94.5	Very high	74 Å²	74	65.1 Å²	65.1	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-45.9	177.9	-57.7	0	0	0	0	111.6	M119 L120 W121 F127	M119-S123 PolarHBondContact O-N 3.26Å; M119-S123 VanDerWaalsContact O-N 3.16Å; M119-S123 PolarHBondContact O-OG 3.01Å; L120-S123 WeakPolarHBondContact O-CB 3.49Å; L120-S123 PolarHBondContact O-N 3.48Å; W121-S123 VanDerWaalsContact C-N 3.28Å; W121-S123 PolarHBondContact O-N 2.9Å; S123-F127 VanDerWaalsContact O-CB 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.22Å; S123-F127 PolarHBondContact O-N 2.95Å
124	L	96.2	Very high	94.7	Very high	59 Å²	59	67.5 Å²	67.5	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-39.9	177.3	-68.2	174.5	0	0	0	112.1	Y99 L120 W121 F127 T128	Y99-L124 HydrophobicContact CD2-CB 4.43Å; Y99-L124 HydrophobicContact CD2-CD1 4.35Å; Y99-L124 HydrophobicContact CE1-CB 4.31Å; Y99-L124 HydrophobicContact CE2-CB 3.7Å; Y99-L124 HydrophobicContact CE2-CD1 3.75Å; Y99-L124 HydrophobicContact CE2-CG 4.33Å; L120-L124 HydrophobicContact CD1-CD1 4.15Å; L120-L124 HydrophobicContact CD1-CG 4.29Å; L120-L124 HydrophobicContact CG-CD1 4.11Å; L120-L124 WeakPolarHBondContact O-CG 3.3Å; L120-L124 PolarHBondContact O-N 2.98Å; W121-L124 HydrophobicContact CE3-CD1 4.05Å; W121-L124 HydrophobicContact CZ3-CD1 4.04Å; W121-L124 PolarHBondContact O-N 2.84Å; L124-F127 PolarHBondContact O-N 2.76Å; L124-T128 WeakPolarHBondContact O-CG2 3.13Å; L124-T128 PolarHBondContact O-N 3.15Å; L124-T128 PolarHBondContact O-OG1 3.06Å
125	D	95.2	Very high	94.9	Very high	3 Å²	3	67 Å²	67	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-56.7	-55.8	176.1	-81.2	-7.9	0	0	0	110.8	Y99 R107 W121 F122 F127 T128 D129 R191	Y99-D125 WeakPolarHBondContact CE1-OD1 3.42Å; Y99-D125 PolarHBondContact OH-OD1 3.28Å; R107-D125 IonicContact CZ-OD1 3.97Å; R107-D125 IonicContact CZ-OD2 3.76Å; R107-D125 IonicContact NH1-OD1 3.69Å; R107-D125 PolarHBondContact NH1-OD1 2.7Å; R107-D125 IonicContact NH1-OD2 3.81Å; R107-D125 PolarHBondContact NH1-OD2 2.88Å; R107-D125 IonicContact NH2-OD2 2.6Å; R107-D125 PolarHBondContact NH2-OD2 3.06Å; W121-D125 WeakPolarHBondContact O-CB 3.41Å; W121-D125 PolarHBondContact O-N 3.23Å; F122-D125 PolarHBondContact O-N 3.06Å; D125-F127 VanDerWaalsContact C-N 3.32Å; D125-F127 PolarHBondContact O-N 2.93Å; D125-T128 PolarHBondContact O-N 2.64Å; D125-T128 PolarHBondContact O-OG1 2.6Å; D125-D129 PolarHBondContact O-N 3.13Å; D125-R191 PolarHBondContact O-NH2 2.7Å; D125-R191 WeakPolarHBondContact OD1-CD 3.4Å; D125-R191 IonicContact OD1-CZ 2.76Å; D125-R191 VanDerWaalsContact OD1-CZ 3.32Å; D125-R191 IonicContact OD1-NE 3.63Å; D125-R191 PolarHBondContact OD1-NE 2.93Å; D125-R191 VanDerWaalsContact OD1-NE 3.12Å; D125-R191 IonicContact OD1-NH1 3.63Å; D125-R191 IonicContact OD1-NH2 3.09Å; D125-R191 IonicContact OD2-CZ 2.71Å; D125-R191 IonicContact OD2-NE 3.88Å; D125-R191 IonicContact OD2-NH1 2.7Å; D125-R191 PolarHBondContact OD2-NH1 3.05Å
126	I	94	Very high	95.1	Very high	101 Å²	101	62.5 Å²	62.5	52%	0.518	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-43.3	177.1	-67.3	167.1	0	0	0	110.9	F122 T128 D129 L130	F122-I126 WeakPolarHBondContact O-CB 3.25Å; F122-I126 VanDerWaalsContact O-CG1 3.28Å; F122-I126 WeakPolarHBondContact O-CG1 3.36Å; F122-I126 PolarHBondContact O-N 3.4Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.44Å; I126-D129 PolarHBondContact O-N 3.17Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.22Å; I126-L130 WeakPolarHBondContact O-CB 3.19Å; I126-L130 VanDerWaalsContact O-CG 3.31Å; I126-L130 WeakPolarHBondContact O-CG 3.36Å; I126-L130 PolarHBondContact O-N 3.39Å
127	F	96.2	Very high	95.1	Very high	117 Å²	117	63.2 Å²	63.2	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-42.8	178.8	175.5	-97.7	0	0	0	112.5	S123 L124 D125 L130 T131	S123-F127 VanDerWaalsContact O-CB 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.22Å; S123-F127 PolarHBondContact O-N 2.95Å; L124-F127 PolarHBondContact O-N 2.76Å; D125-F127 VanDerWaalsContact C-N 3.32Å; D125-F127 PolarHBondContact O-N 2.93Å; F127-L130 PolarHBondContact O-N 2.96Å; F127-T131 WeakPolarHBondContact O-CB 3.3Å; F127-T131 PolarHBondContact O-N 3.47Å; F127-T131 PolarHBondContact O-OG1 3.24Å
128	T	96	Very high	95.2	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-37.4	177.9	61.7	0	0	0	0	112.9	A96 Y99 N100 L124 D125 I126 T131 Y132	A96-T128 HydrophobicContact CB-CG2 3.79Å; Y99-T128 HydrophobicContact CD1-CG2 3.38Å; Y99-T128 HydrophobicContact CE1-CG2 4.01Å; Y99-T128 HydrophobicContact CG-CG2 4.01Å; N100-T128 PolarHBondContact ND2-OG1 2.62Å; L124-T128 WeakPolarHBondContact O-CG2 3.13Å; L124-T128 PolarHBondContact O-N 3.15Å; L124-T128 PolarHBondContact O-OG1 3.06Å; D125-T128 PolarHBondContact O-N 2.64Å; D125-T128 PolarHBondContact O-OG1 2.6Å; I126-T128 VanDerWaalsContact C-N 3.34Å; I126-T128 PolarHBondContact O-N 3.44Å; T128-T131 WeakPolarHBondContact O-CB 3.42Å; T128-T131 PolarHBondContact O-N 3.49Å; T128-Y132 PolarHBondContact O-N 3.18Å
129	D	95.3	Very high	95.2	Very high	26 Å²	26	54.5 Å²	54.5	14%	0.139	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-41.1	175.5	-68.4	-29.7	0	0	0	111.1	D125 I126 T131 Y132 L133 L174 R191 R194	D125-D129 PolarHBondContact O-N 3.13Å; I126-D129 PolarHBondContact O-N 3.17Å; D129-T131 VanDerWaalsContact C-N 3.33Å; D129-T131 PolarHBondContact O-N 3.42Å; D129-Y132 PolarHBondContact O-N 2.81Å; D129-L133 WeakPolarHBondContact O-CG 3.23Å; D129-L133 PolarHBondContact O-N 3.02Å; D129-L174 HydrophobicContact CB-CD2 4.37Å; D129-R191 IonicContact OD1-NH2 3.34Å; D129-R191 PolarHBondContact OD1-NH2 2.87Å; D129-R191 VanDerWaalsContact OD1-NH2 3.09Å; D129-R191 IonicContact OD2-CZ 2.74Å; D129-R191 IonicContact OD2-NH1 3.66Å; D129-R191 IonicContact OD2-NH2 3.08Å; D129-R191 PolarHBondContact OD2-NH2 2.96Å; D129-R194 IonicContact OD1-CZ 2.73Å; D129-R194 IonicContact OD1-NE 3.84Å; D129-R194 PolarHBondContact OD1-NE 3.24Å; D129-R194 IonicContact OD1-NH2 3.81Å; D129-R194 IonicContact OD2-NH2 3.39Å; D129-R194 PolarHBondContact OD2-NH2 2.81Å
130	L	96.3	Very high	95.2	Very high	91 Å²	91	48.8 Å²	48.8	48%	0.476	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-42.1	172	-73	176.8	0	0	0	111.8	I126 F127 Y132 L133 I134	I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.22Å; I126-L130 WeakPolarHBondContact O-CB 3.19Å; I126-L130 VanDerWaalsContact O-CG 3.31Å; I126-L130 WeakPolarHBondContact O-CG 3.36Å; I126-L130 PolarHBondContact O-N 3.39Å; F127-L130 PolarHBondContact O-N 2.96Å; L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 3.2Å; L130-L133 HydrophobicContact CD2-CD1 4.41Å; L130-L133 PolarHBondContact O-N 3.01Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.19Å; L130-I134 PolarHBondContact O-N 3.44Å
131	T	96.9	Very high	95	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-40.1	175.7	-59.9	0	0	0	0	111.1	W89 V93 A96 F127 T128 D129 D135	W89-T131 HydrophobicContact CH2-CG2 4.32Å; V93-T131 HydrophobicContact CG2-CG2 4.17Å; A96-T131 HydrophobicContact CB-CG2 4.1Å; F127-T131 WeakPolarHBondContact O-CB 3.3Å; F127-T131 PolarHBondContact O-N 3.47Å; F127-T131 PolarHBondContact O-OG1 3.24Å; T128-T131 WeakPolarHBondContact O-CB 3.42Å; T128-T131 PolarHBondContact O-N 3.49Å; D129-T131 VanDerWaalsContact C-N 3.33Å; D129-T131 PolarHBondContact O-N 3.42Å; T131-D135 WeakPolarHBondContact O-CB 3.22Å; T131-D135 PolarHBondContact O-N 2.99Å
132	Y	96.6	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-40.1	177.3	-78.7	14.4	0	0	0	112.5	A96 L97 T128 D129 L130 D135 I136 L174 R194 K197	A96-Y132 HydrophobicContact CB-CD1 4.47Å; A96-Y132 HydrophobicContact CB-CE1 3.97Å; L97-Y132 WeakPolarHBondContact CA-OH 3.41Å; L97-Y132 WeakPolarHBondContact CD1-OH 3.4Å; T128-Y132 PolarHBondContact O-N 3.18Å; D129-Y132 PolarHBondContact O-N 2.81Å; L130-Y132 VanDerWaalsContact C-N 3.27Å; L130-Y132 PolarHBondContact O-N 3.2Å; Y132-D135 WeakPolarHBondContact O-CB 3.46Å; Y132-D135 PolarHBondContact O-N 3.23Å; Y132-I136 PolarHBondContact O-N 2.94Å; Y132-I136 VanDerWaalsContact O-N 3.16Å; Y132-L174 HydrophobicContact CD2-CD2 4.47Å; Y132-R194 HydrophobicContact CD2-CG 4.44Å; Y132-R194 HydrophobicContact CE2-CB 3.85Å; Y132-R194 HydrophobicContact CE2-CG 4.03Å; Y132-R194 PolarHBondContact OH-O 3.31Å; Y132-K197 HydrophobicContact CD1-CD 3.81Å; Y132-K197 HydrophobicContact CD2-CD 3.64Å; Y132-K197 HydrophobicContact CE1-CB 4.48Å; Y132-K197 HydrophobicContact CE1-CD 3.83Å; Y132-K197 HydrophobicContact CE1-CG 4.25Å; Y132-K197 HydrophobicContact CE2-CB 3.95Å; Y132-K197 HydrophobicContact CE2-CD 3.66Å; Y132-K197 HydrophobicContact CE2-CG 4.31Å; Y132-K197 HydrophobicContact CG-CD 3.71Å
133	L	95.9	Very high	94.8	Very high	97 Å²	97	41.7 Å²	41.7	51%	0.508	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-46.5	174.6	-74.8	167.5	0	0	0	111.7	D129 L130 D135 I136 L174	D129-L133 WeakPolarHBondContact O-CG 3.23Å; D129-L133 PolarHBondContact O-N 3.02Å; L130-L133 HydrophobicContact CD2-CD1 4.41Å; L130-L133 PolarHBondContact O-N 3.01Å; L133-D135 VanDerWaalsContact C-N 3.26Å; L133-D135 PolarHBondContact O-N 2.82Å; L133-I136 PolarHBondContact O-N 3Å; L133-L174 HydrophobicContact CD2-CD1 3.74Å; L133-L174 HydrophobicContact CD2-CD2 4.46Å; L133-L174 HydrophobicContact CG-CD1 4.02Å; L133-L174 HydrophobicContact CG-CD2 4.14Å
134	I	95.9	Very high	94.4	Very high	88 Å²	88	40.4 Å²	40.4	45%	0.451	20%	0.203	S	C	.	.	H	α-helix	trans	-63.1	-36.7	175.8	-64.2	166	0	0	0	110.1	W89 L130 I136 F137 V138	W89-I134 HydrophobicContact CH2-CB 3.81Å; W89-I134 HydrophobicContact CH2-CG2 3.36Å; W89-I134 HydrophobicContact CZ2-CB 4.14Å; W89-I134 HydrophobicContact CZ2-CG2 3.75Å; W89-I134 HydrophobicContact CZ3-CG2 4.16Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.19Å; L130-I134 PolarHBondContact O-N 3.44Å; I134-I136 VanDerWaalsContact C-N 3.33Å; I134-I136 PolarHBondContact O-N 3.14Å; I134-F137 WeakPolarHBondContact O-CA 3.25Å; I134-F137 WeakPolarHBondContact O-CB 3.32Å; I134-F137 PolarHBondContact O-N 3.01Å; I134-F137 VanDerWaalsContact O-N 3.07Å; I134-V138 HydrophobicContact CG2-CG2 4.29Å; I134-V138 WeakPolarHBondContact O-CG2 3.45Å; I134-V138 PolarHBondContact O-N 3.38Å
135	D	96.2	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-36.4	179.2	-172.9	61.1	0	0	0	112.6	W89 V93 T131 Y132 L133 F137 V138 Q139 K197 R200	W89-D135 HydrophobicContact CZ2-CB 3.86Å; W89-D135 PolarHBondContact NE1-OD1 2.91Å; V93-D135 HydrophobicContact CG2-CB 4Å; T131-D135 WeakPolarHBondContact O-CB 3.22Å; T131-D135 PolarHBondContact O-N 2.99Å; Y132-D135 WeakPolarHBondContact O-CB 3.46Å; Y132-D135 PolarHBondContact O-N 3.23Å; L133-D135 VanDerWaalsContact C-N 3.26Å; L133-D135 PolarHBondContact O-N 2.82Å; D135-F137 PolarHBondContact O-N 3.43Å; D135-V138 PolarHBondContact O-N 3.29Å; D135-V138 VanDerWaalsContact O-N 3.16Å; D135-Q139 WeakPolarHBondContact O-CB 3.34Å; D135-Q139 VanDerWaalsContact O-CG 3.23Å; D135-Q139 WeakPolarHBondContact O-CG 3.26Å; D135-Q139 PolarHBondContact O-N 3.12Å; D135-Q139 PolarHBondContact OD2-NE2 3.08Å; D135-K197 VanDerWaalsContact CG-NZ 3.3Å; D135-K197 WeakPolarHBondContact OD2-CE 3.29Å; D135-K197 IonicContact OD2-NZ 3.08Å; D135-K197 PolarHBondContact OD2-NZ 3.34Å; D135-R200 IonicContact OD2-NE 2.88Å
136	I	95.4	Very high	93.7	Very high	26 Å²	26	48.3 Å²	48.3	13%	0.133	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-43.3	172.4	-68.2	-179.8	0	0	0	110.4	Y132 L133 I134 Q139 C140 Y161 D170 I171 L174	Y132-I136 PolarHBondContact O-N 2.94Å; Y132-I136 VanDerWaalsContact O-N 3.16Å; L133-I136 PolarHBondContact O-N 3Å; I134-I136 VanDerWaalsContact C-N 3.33Å; I134-I136 PolarHBondContact O-N 3.14Å; I136-Q139 PolarHBondContact O-N 3.14Å; I136-C140 PolarHBondContact O-N 3.12Å; I136-C140 PolarHBondContact O-SG 3.31Å; I136-C140 VanDerWaalsContact O-SG 3.32Å; I136-Y161 HydrophobicContact CG2-CE1 4.03Å; I136-D170 HydrophobicContact CD1-CB 4.09Å; I136-D170 HydrophobicContact CG1-CB 3.96Å; I136-I171 HydrophobicContact CD1-CD1 4.05Å; I136-L174 HydrophobicContact CD1-CD1 3.55Å; I136-L174 HydrophobicContact CG1-CD1 4.43Å
137	F	93.6	Very high	93.5	Very high	100 Å²	100	54.8 Å²	54.8	44%	0.439	26%	0.257	S	S	.	.	H	α-helix	trans	-66	-42.5	176.4	176.5	-95.4	0	0	0	112.3	F76 I134 D135 Q139 C140 N141	F76-F137 AromaticContact CD1-CE2 3.99Å; F76-F137 HydrophobicContact CD1-CE2 3.99Å; F76-F137 AromaticContact CD1-CZ 3.64Å; F76-F137 HydrophobicContact CD1-CZ 3.64Å; F76-F137 AromaticContact CE1-CE2 3.94Å; F76-F137 HydrophobicContact CE1-CE2 3.94Å; F76-F137 AromaticContact CE1-CZ 3.98Å; F76-F137 HydrophobicContact CE1-CZ 3.98Å; I134-F137 WeakPolarHBondContact O-CA 3.25Å; I134-F137 WeakPolarHBondContact O-CB 3.32Å; I134-F137 PolarHBondContact O-N 3.01Å; I134-F137 VanDerWaalsContact O-N 3.07Å; D135-F137 PolarHBondContact O-N 3.43Å; F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 3.16Å; F137-C140 WeakPolarHBondContact O-CB 3.47Å; F137-C140 PolarHBondContact O-N 3.33Å; F137-N141 VanDerWaalsContact CE1-ND2 3.28Å; F137-N141 WeakPolarHBondContact CE1-ND2 3.42Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.31Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.22Å; F137-N141 PolarHBondContact O-N 3.07Å; F137-N141 PolarHBondContact O-ND2 3.35Å
138	V	93.5	Very high	93	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.024	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-40.8	174.7	173.1	0	0	0	0	110.9	F79 W89 I134 D135 N141 T142	F79-V138 HydrophobicContact CB-CG1 4.38Å; F79-V138 HydrophobicContact CD1-CG1 4.15Å; F79-V138 HydrophobicContact CD2-CB 4.35Å; F79-V138 HydrophobicContact CD2-CG1 3.72Å; F79-V138 HydrophobicContact CD2-CG2 4.4Å; F79-V138 HydrophobicContact CE1-CG1 4.36Å; F79-V138 HydrophobicContact CE2-CB 4.23Å; F79-V138 HydrophobicContact CE2-CG1 3.95Å; F79-V138 HydrophobicContact CE2-CG2 3.8Å; F79-V138 HydrophobicContact CG-CG1 3.82Å; F79-V138 HydrophobicContact CZ-CG1 4.26Å; F79-V138 HydrophobicContact CZ-CG2 3.92Å; W89-V138 HydrophobicContact CD2-CG2 4.25Å; W89-V138 HydrophobicContact CG-CG1 4.39Å; W89-V138 HydrophobicContact CZ2-CG2 4.02Å; I134-V138 HydrophobicContact CG2-CG2 4.29Å; I134-V138 WeakPolarHBondContact O-CG2 3.45Å; I134-V138 PolarHBondContact O-N 3.38Å; D135-V138 PolarHBondContact O-N 3.29Å; D135-V138 VanDerWaalsContact O-N 3.16Å; V138-N141 CarbonylContact O-C 3.6Å; V138-N141 PolarHBondContact O-N 3.1Å; V138-N141 VanDerWaalsContact O-N 3.15Å; V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 2.99Å
139	Q	93.4	Very high	92.6	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-67.9	-40.9	178.1	-71.6	-174.2	65.1	0	0	113.3	D135 I136 F137 N141 T142 Y161 D170 Y199 R200	D135-Q139 WeakPolarHBondContact O-CB 3.34Å; D135-Q139 VanDerWaalsContact O-CG 3.23Å; D135-Q139 WeakPolarHBondContact O-CG 3.26Å; D135-Q139 PolarHBondContact O-N 3.12Å; D135-Q139 PolarHBondContact OD2-NE2 3.08Å; I136-Q139 PolarHBondContact O-N 3.14Å; F137-Q139 VanDerWaalsContact C-N 3.27Å; F137-Q139 PolarHBondContact O-N 3.16Å; Q139-N141 PolarHBondContact O-N 2.94Å; Q139-N141 VanDerWaalsContact O-N 3.17Å; Q139-T142 PolarHBondContact O-N 3.14Å; Q139-Y161 HydrophobicContact CB-CD1 4.17Å; Q139-Y161 HydrophobicContact CB-CD2 4.08Å; Q139-Y161 HydrophobicContact CB-CE1 3.93Å; Q139-Y161 HydrophobicContact CB-CE2 3.9Å; Q139-Y161 HydrophobicContact CB-CG 4.22Å; Q139-Y161 HydrophobicContact CG-CE2 4.41Å; Q139-D170 PolarHBondContact NE2-OD2 2.74Å; Q139-D170 PolarHBondContact OE1-OD2 2.85Å; Q139-Y199 PolarHBondContact NE2-OH 3.35Å; Q139-Y199 PolarHBondContact OE1-OH 3.21Å; Q139-R200 VanDerWaalsContact CG-CZ 3.46Å
140	C	93.8	Very high	92.2	Very high	26 Å²	26	62.2 Å²	62.2	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-29.6	170.9	-74.1	0	0	0	0	112.1	I136 F137 L157 A158 Y161	I136-C140 PolarHBondContact O-N 3.12Å; I136-C140 PolarHBondContact O-SG 3.31Å; I136-C140 VanDerWaalsContact O-SG 3.32Å; F137-C140 WeakPolarHBondContact O-CB 3.47Å; F137-C140 PolarHBondContact O-N 3.33Å; C140-L157 CarbonylContact O-C 3.49Å; C140-L157 WeakPolarHBondContact O-CB 3.46Å; C140-A158 HydrophobicContact CB-CB 4.2Å; C140-A158 PolarHBondContact O-N 3.45Å; C140-Y161 HydrophobicContact CB-CD1 4.49Å; C140-Y161 WeakPolarHBondContact SG-CD1 3.16Å
141	N	92.3	Very high	91.8	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.043	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	9.7	-177.1	-64.3	-30.9	0	0	0	114	F79 F137 V138 Q139 H154	F79-N141 HydrophobicContact CD2-CB 4.45Å; F79-N141 PolarHBondContact N-O 3.38Å; F137-N141 VanDerWaalsContact CE1-ND2 3.28Å; F137-N141 WeakPolarHBondContact CE1-ND2 3.42Å; F137-N141 WeakPolarHBondContact CE2-ND2 3.31Å; F137-N141 WeakPolarHBondContact CZ-ND2 3.22Å; F137-N141 PolarHBondContact O-N 3.07Å; F137-N141 PolarHBondContact O-ND2 3.35Å; V138-N141 CarbonylContact O-C 3.6Å; V138-N141 PolarHBondContact O-N 3.1Å; V138-N141 VanDerWaalsContact O-N 3.15Å; Q139-N141 PolarHBondContact O-N 2.94Å; Q139-N141 VanDerWaalsContact O-N 3.17Å; N141-H154 PolarHBondContact OD1-CD2 3.34Å
142	T	92.2	Very high	91.3	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.16	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-83.8	120.2	179.1	-64.4	0	0	0	0	110.6	Y86 V138 Q139	Y86-T142 HydrophobicContact CE2-CG2 4.08Å; V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 2.99Å; Q139-T142 PolarHBondContact O-N 3.14Å
143	S	89.8	Confident	90.9	Very high	7 Å²	7	69.9 Å²	69.9	5%	0.049	34%	0.341	C	S	.	.			trans	-68.4	152.2	-179.8	59.6	0	0	0	0	113	F79	F79-S143 PolarHBondContact O-N 3.13Å; F79-S143 PolarHBondContact O-OG 3.14Å
144	Y	88.9	Confident	90.5	Very high	46 Å²	46	67.6 Å²	67.6	18%	0.18	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160.9	172.5	68	-97.8	0	0	0	111.2	K146 V151 L157	Y144-K146 HydrophobicContact CD2-CB 4.31Å; Y144-K146 HydrophobicContact CE2-CB 3.89Å; Y144-K146 HydrophobicContact CE2-CD 4.5Å; Y144-V151 HydrophobicContact CD1-CB 4.46Å; Y144-V151 HydrophobicContact CD2-CB 4.45Å; Y144-V151 HydrophobicContact CD2-CG2 4.11Å; Y144-V151 HydrophobicContact CE1-CB 4.11Å; Y144-V151 HydrophobicContact CE1-CG1 4.23Å; Y144-V151 HydrophobicContact CE1-CG2 4.46Å; Y144-V151 HydrophobicContact CE2-CB 4.15Å; Y144-V151 HydrophobicContact CE2-CG2 3.63Å; Y144-V151 PolarHBondContact O-N 3.05Å; Y144-L157 HydrophobicContact CD1-CD2 3.42Å; Y144-L157 VanDerWaalsContact CD1-CD2 3.42Å; Y144-L157 HydrophobicContact CE1-CD2 3.56Å
145	L	88.9	Confident	90.3	Very high	101 Å²	101	70.8 Å²	70.8	53%	0.529	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.8	175.9	-67.4	165.7	0	0	0	110.5	G148 L149 K150	L145-G148 WeakPolarHBondContact CD2-O 3.38Å; L145-L149 WeakPolarHBondContact CA-O 3.46Å; L145-K150 HydrophobicContact CD2-CG 3.7Å
146	K	87.8	Confident	90.1	Very high	127 Å²	127	76.8 Å²	76.8	55%	0.552	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	120	168.5	-169.7	174.6	-179.1	177.5	0	108.1	Y144 G148 L149 V151	Y144-K146 HydrophobicContact CD2-CB 4.31Å; Y144-K146 HydrophobicContact CE2-CB 3.89Å; Y144-K146 HydrophobicContact CE2-CD 4.5Å; K146-G148 VanDerWaalsContact C-N 3.25Å; K146-G148 PolarHBondContact O-N 2.96Å; K146-L149 PolarHBondContact N-O 3.07Å; K146-L149 PolarHBondContact O-N 2.99Å; K146-V151 HydrophobicContact CB-CG2 3.66Å
147	R	88.3	Confident	90	Very high	237 Å²	237	75.8 Å²	75.8	89%	0.894	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	42.3	-174.6	-57.6	179.1	176.6	178.2	-2.7	112.4	L149	R147-L149 PolarHBondContact O-N 2.89Å
148	G	86	Confident	90	Very high	65 Å²	65	72.2 Å²	72.2	67%	0.67	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-11.8	-177	0	0	0	0	0	115.8	L145 K146	L145-G148 WeakPolarHBondContact CD2-O 3.38Å; K146-G148 VanDerWaalsContact C-N 3.25Å; K146-G148 PolarHBondContact O-N 2.96Å
149	L	88.2	Confident	90	Very high	130 Å²	130	78.5 Å²	78.5	68%	0.681	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.9	179.8	-61.5	175.2	0	0	0	111.3	L145 K146 R147 V151	L145-L149 WeakPolarHBondContact CA-O 3.46Å; K146-L149 PolarHBondContact N-O 3.07Å; K146-L149 PolarHBondContact O-N 2.99Å; R147-L149 PolarHBondContact O-N 2.89Å; L149-V151 PolarHBondContact O-N 2.95Å
150	K	86.3	Confident	90	Very high	109 Å²	109	84.8 Å²	84.8	47%	0.474	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.2	174.7	-70.6	174.8	174.9	173.7	0	109.6	L145 R152	L145-K150 HydrophobicContact CD2-CG 3.7Å; K150-R152 PolarHBondContact O-N 2.9Å
151	V	88.8	Confident	90.1	Very high	26 Å²	26	84.3 Å²	84.3	16%	0.158	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.3	174	-178.7	0	0	0	0	108.9	Y144 K146 L149 K156 L157	Y144-V151 HydrophobicContact CD1-CB 4.46Å; Y144-V151 HydrophobicContact CD2-CB 4.45Å; Y144-V151 HydrophobicContact CD2-CG2 4.11Å; Y144-V151 HydrophobicContact CE1-CB 4.11Å; Y144-V151 HydrophobicContact CE1-CG1 4.23Å; Y144-V151 HydrophobicContact CE1-CG2 4.46Å; Y144-V151 HydrophobicContact CE2-CB 4.15Å; Y144-V151 HydrophobicContact CE2-CG2 3.63Å; Y144-V151 PolarHBondContact O-N 3.05Å; K146-V151 HydrophobicContact CB-CG2 3.66Å; L149-V151 PolarHBondContact O-N 2.95Å; V151-K156 HydrophobicContact CG1-CB 4.37Å; V151-L157 HydrophobicContact CB-CD2 4.49Å; V151-L157 HydrophobicContact CG1-CD2 4.4Å
152	R	84.6	Confident	90.2	Very high	167 Å²	167	89 Å²	89	63%	0.63	42%	0.418	S	S	*	.			trans	-107.2	-10.6	-177.8	-67.7	-173.2	177.8	179.2	-0.3	115.1	I78 K150 H154	I78-R152 HydrophobicContact CD1-CB 3.62Å; I78-R152 HydrophobicContact CD1-CG 3.93Å; I78-R152 VanDerWaalsContact CD1-O 3.28Å; I78-R152 WeakPolarHBondContact CD1-O 3.46Å; K150-R152 PolarHBondContact O-N 2.9Å; R152-H154 PolarHBondContact O-N 3.18Å
153	N	88.7	Confident	90.3	Very high	70 Å²	70	95.7 Å²	95.7	37%	0.374	45%	0.445	S	S	.	.			trans	-72.9	115.1	-177.3	176.5	-45.7	0	0	0	111.3	Q155 K156 L157	N153-Q155 PolarHBondContact O-N 3.43Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.44Å; N153-Q155 PolarHBondContact OD1-N 3.42Å; N153-K156 HydrophobicContact CB-CB 4.29Å; N153-K156 HydrophobicContact CB-CD 4.17Å; N153-K156 HydrophobicContact CB-CG 4.24Å; N153-K156 WeakPolarHBondContact O-CB 3.42Å; N153-K156 PolarHBondContact O-N 3Å; N153-K156 VanDerWaalsContact O-N 3.12Å; N153-K156 PolarHBondContact OD1-N 3.35Å; N153-K156 VanDerWaalsContact OD1-N 3.13Å; N153-L157 WeakPolarHBondContact O-CG 3.34Å; N153-L157 PolarHBondContact O-N 3.28Å
154	H	88.9	Confident	90.6	Very high	48 Å²	48	97.1 Å²	97.1	22%	0.222	46%	0.455	C	S	.	.	H	α-helix	trans	-58.9	-40.4	-176.3	-55.7	90.1	0	0	0	114.3	F76 I78 N141 R152 K156 L157 A158	F76-H154 VanDerWaalsContact CB-NE2 3.34Å; F76-H154 WeakPolarHBondContact CB-NE2 3.46Å; F76-H154 PolarHBondContact O-NE2 3.1Å; I78-H154 WeakPolarHBondContact CG1-NE2 3.09Å; N141-H154 PolarHBondContact OD1-CD2 3.34Å; R152-H154 PolarHBondContact O-N 3.18Å; H154-K156 VanDerWaalsContact C-N 3.27Å; H154-K156 PolarHBondContact O-N 3.43Å; H154-L157 PolarHBondContact O-N 2.95Å; H154-L157 VanDerWaalsContact O-N 3.11Å; H154-A158 WeakPolarHBondContact O-CB 3.43Å; H154-A158 PolarHBondContact O-N 3.12Å
155	Q	91.4	Very high	90.9	Very high	156 Å²	156	101.9 Å²	101.9	73%	0.729	47%	0.474	S	S	*	.	H	α-helix	trans	-61.7	-38.9	177.7	-64.1	178.5	-14.9	0	0	111.3	N153 K159	N153-Q155 PolarHBondContact O-N 3.43Å; N153-Q155 WeakPolarHBondContact OD1-CB 3.44Å; N153-Q155 PolarHBondContact OD1-N 3.42Å; Q155-K159 WeakPolarHBondContact O-CB 3.28Å; Q155-K159 PolarHBondContact O-N 3.23Å
156	K	91.5	Very high	91.2	Very high	126 Å²	126	100 Å²	100	55%	0.548	46%	0.461	S	S	.	.	H	α-helix	trans	-70.4	-34.4	175.9	-66.8	-177	-176.7	174.8	0	112.1	V151 N153 H154 R160	V151-K156 HydrophobicContact CG1-CB 4.37Å; N153-K156 HydrophobicContact CB-CB 4.29Å; N153-K156 HydrophobicContact CB-CD 4.17Å; N153-K156 HydrophobicContact CB-CG 4.24Å; N153-K156 WeakPolarHBondContact O-CB 3.42Å; N153-K156 PolarHBondContact O-N 3Å; N153-K156 VanDerWaalsContact O-N 3.12Å; N153-K156 PolarHBondContact OD1-N 3.35Å; N153-K156 VanDerWaalsContact OD1-N 3.13Å; H154-K156 VanDerWaalsContact C-N 3.27Å; H154-K156 PolarHBondContact O-N 3.43Å; K156-R160 WeakPolarHBondContact O-CB 3.38Å; K156-R160 PolarHBondContact O-N 3.38Å
157	L	92.5	Very high	91.6	Very high	5 Å²	5	96.4 Å²	96.4	3%	0.026	45%	0.446	C	S	.	.	H	α-helix	trans	-67.9	-54.5	175.7	-61	-178.2	0	0	0	110.6	C140 Y144 V151 N153 H154 K159 R160 Y161	C140-L157 CarbonylContact O-C 3.49Å; C140-L157 WeakPolarHBondContact O-CB 3.46Å; Y144-L157 HydrophobicContact CD1-CD2 3.42Å; Y144-L157 VanDerWaalsContact CD1-CD2 3.42Å; Y144-L157 HydrophobicContact CE1-CD2 3.56Å; V151-L157 HydrophobicContact CB-CD2 4.49Å; V151-L157 HydrophobicContact CG1-CD2 4.4Å; N153-L157 WeakPolarHBondContact O-CG 3.34Å; N153-L157 PolarHBondContact O-N 3.28Å; H154-L157 PolarHBondContact O-N 2.95Å; H154-L157 VanDerWaalsContact O-N 3.11Å; L157-K159 PolarHBondContact O-N 2.91Å; L157-R160 WeakPolarHBondContact O-CB 3.34Å; L157-R160 PolarHBondContact O-N 3.21Å; L157-Y161 PolarHBondContact O-N 3.06Å
158	A	94	Very high	91.9	Very high	25 Å²	25	90.7 Å²	90.7	21%	0.207	43%	0.432	C	S	.	.	H	α-helix	trans	-59.1	-48.8	179.6	0	0	0	0	0	112	C140 H154 R160 Y161 M162	C140-A158 HydrophobicContact CB-CB 4.2Å; C140-A158 PolarHBondContact O-N 3.45Å; H154-A158 WeakPolarHBondContact O-CB 3.43Å; H154-A158 PolarHBondContact O-N 3.12Å; A158-R160 VanDerWaalsContact C-N 3.26Å; A158-R160 PolarHBondContact O-N 2.8Å; A158-Y161 PolarHBondContact O-N 3.39Å; A158-Y161 VanDerWaalsContact O-N 3.13Å; A158-M162 WeakPolarHBondContact O-CB 2.89Å; A158-M162 VanDerWaalsContact O-CG 3.32Å; A158-M162 WeakPolarHBondContact O-CG 3.21Å; A158-M162 PolarHBondContact O-N 3.47Å
159	K	94.6	Very high	92.4	Very high	135 Å²	135	89.8 Å²	89.8	59%	0.587	41%	0.412	S	S	*	.	H	α-helix	trans	-59.7	-36.3	177.8	-173.7	174.6	-173.6	171.3	0	112.5	Q155 L157 K163	Q155-K159 WeakPolarHBondContact O-CB 3.28Å; Q155-K159 PolarHBondContact O-N 3.23Å; L157-K159 PolarHBondContact O-N 2.91Å; K159-K163 WeakPolarHBondContact O-CG 3.12Å; K159-K163 PolarHBondContact O-N 3.38Å
160	R	93.2	Very high	92.8	Very high	141 Å²	141	83.6 Å²	83.6	53%	0.532	38%	0.38	S	S	.	.	H	α-helix	trans	-68	-45.3	176.4	179.5	-178	176.1	174.8	0.2	111	K156 L157 A158 S164	K156-R160 WeakPolarHBondContact O-CB 3.38Å; K156-R160 PolarHBondContact O-N 3.38Å; L157-R160 WeakPolarHBondContact O-CB 3.34Å; L157-R160 PolarHBondContact O-N 3.21Å; A158-R160 VanDerWaalsContact C-N 3.26Å; A158-R160 PolarHBondContact O-N 2.8Å; R160-S164 PolarHBondContact O-N 3.24Å
161	Y	94.5	Very high	93.3	Very high	16 Å²	16	82 Å²	82	6%	0.063	38%	0.376	C	S	.	.	H	α-helix	trans	-64.2	-47.9	178.6	165.1	-120.7	0	0	0	111.6	I136 Q139 C140 L157 A158 K163 S164 K166 F167 D170	I136-Y161 HydrophobicContact CG2-CE1 4.03Å; Q139-Y161 HydrophobicContact CB-CD1 4.17Å; Q139-Y161 HydrophobicContact CB-CD2 4.08Å; Q139-Y161 HydrophobicContact CB-CE1 3.93Å; Q139-Y161 HydrophobicContact CB-CE2 3.9Å; Q139-Y161 HydrophobicContact CB-CG 4.22Å; Q139-Y161 HydrophobicContact CG-CE2 4.41Å; C140-Y161 HydrophobicContact CB-CD1 4.49Å; C140-Y161 WeakPolarHBondContact SG-CD1 3.16Å; L157-Y161 PolarHBondContact O-N 3.06Å; A158-Y161 PolarHBondContact O-N 3.39Å; A158-Y161 VanDerWaalsContact O-N 3.13Å; Y161-K163 PolarHBondContact O-N 3.01Å; Y161-S164 WeakPolarHBondContact O-CA 3.25Å; Y161-S164 WeakPolarHBondContact O-CB 3.41Å; Y161-S164 PolarHBondContact O-N 2.88Å; Y161-K166 HydrophobicContact CD2-CB 4.41Å; Y161-K166 HydrophobicContact CE2-CB 4.11Å; Y161-F167 HydrophobicContact CD1-CD2 4.22Å; Y161-F167 HydrophobicContact CD2-CB 4.26Å; Y161-F167 HydrophobicContact CE1-CB 4.36Å; Y161-F167 AromaticContact CE1-CD2 3.54Å; Y161-F167 HydrophobicContact CE1-CD2 3.54Å; Y161-F167 HydrophobicContact CE1-CE2 4.33Å; Y161-F167 HydrophobicContact CE1-CG 4.4Å; Y161-F167 HydrophobicContact CE2-CB 3.85Å; Y161-F167 HydrophobicContact CE2-CD2 4.42Å; Y161-F167 AromaticContact CZ-CD2 3.66Å; Y161-F167 WeakPolarHBondContact O-CB 3.27Å; Y161-D170 PolarHBondContact OH-OD2 3.25Å
162	M	95.4	Very high	93.6	Very high	105 Å²	105	83 Å²	83	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-60.5	-29.4	178.9	-69.9	176.8	72.9	0	0	113.8	A158 S164 F167	A158-M162 WeakPolarHBondContact O-CB 2.89Å; A158-M162 VanDerWaalsContact O-CG 3.32Å; A158-M162 WeakPolarHBondContact O-CG 3.21Å; A158-M162 PolarHBondContact O-N 3.47Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-F167 HydrophobicContact CB-CD1 4.37Å; M162-F167 HydrophobicContact CB-CG 4.48Å; M162-F167 HydrophobicContact CE-CZ 4.47Å; M162-F167 HydrophobicContact CG-CD2 4.35Å; M162-F167 HydrophobicContact CG-CE2 4.31Å; M162-F167 HydrophobicContact CG-CG 4.47Å; M162-F167 HydrophobicContact CG-CZ 4.4Å
163	K	94.7	Very high	94.1	Very high	168 Å²	168	75.1 Å²	75.1	73%	0.73	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10	173.9	-73.6	-172.5	174.1	-157.8	0	113.8	K159 Y161	K159-K163 WeakPolarHBondContact O-CG 3.12Å; K159-K163 PolarHBondContact O-N 3.38Å; Y161-K163 PolarHBondContact O-N 3.01Å
164	S	94.4	Very high	94.4	Very high	36 Å²	36	73.3 Å²	73.3	25%	0.252	34%	0.342	S	S	.	.	S	Bend	trans	-85	147	179.8	-171.4	0	0	0	0	110.5	R160 Y161 M162 K166 F167	R160-S164 PolarHBondContact O-N 3.24Å; Y161-S164 WeakPolarHBondContact O-CA 3.25Å; Y161-S164 WeakPolarHBondContact O-CB 3.41Å; Y161-S164 PolarHBondContact O-N 2.88Å; M162-S164 VanDerWaalsContact C-N 3.33Å; S164-K166 PolarHBondContact O-N 2.98Å; S164-F167 PolarHBondContact O-N 3.43Å
165	Y	95.6	Very high	94.5	Very high	147 Å²	147	74.5 Å²	74.5	58%	0.576	35%	0.35	S	S	*	.	H	α-helix	trans	-53.6	-24.2	170.7	75.1	-88.8	0	0	0	113	F167 L168 L169	Y165-F167 VanDerWaalsContact C-N 3.33Å; Y165-F167 PolarHBondContact O-N 3Å; Y165-L168 WeakPolarHBondContact O-CB 3.47Å; Y165-L168 PolarHBondContact O-N 3.01Å; Y165-L169 HydrophobicContact CD2-CD1 3.71Å; Y165-L169 HydrophobicContact CD2-CG 4.33Å; Y165-L169 HydrophobicContact CE2-CD1 3.84Å; Y165-L169 WeakPolarHBondContact O-CG 3.35Å; Y165-L169 PolarHBondContact O-N 3.43Å
166	K	95.2	Very high	94.5	Very high	60 Å²	60	71.1 Å²	71.1	26%	0.261	34%	0.341	S	S	.	.	H	α-helix	trans	-57.8	-43.9	176.1	-63.5	-177.6	179.1	-167.2	0	112.3	Y161 S164 L168 L169 D170 Y199	Y161-K166 HydrophobicContact CD2-CB 4.41Å; Y161-K166 HydrophobicContact CE2-CB 4.11Å; S164-K166 PolarHBondContact O-N 2.98Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.49Å; K166-L169 PolarHBondContact O-N 3.49Å; K166-D170 PolarHBondContact O-N 3.45Å; K166-Y199 HydrophobicContact CB-CE2 4.25Å; K166-Y199 HydrophobicContact CD-CD2 4.45Å; K166-Y199 HydrophobicContact CD-CE2 3.89Å; K166-Y199 HydrophobicContact CG-CD2 4.39Å; K166-Y199 HydrophobicContact CG-CE2 3.96Å
167	F	96.1	Very high	94.5	Very high	52 Å²	52	67.7 Å²	67.7	23%	0.228	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-42.1	178.6	177.1	-109.1	0	0	0	111.3	Y161 M162 S164 Y165 L169 D170 I171	Y161-F167 HydrophobicContact CD1-CD2 4.22Å; Y161-F167 HydrophobicContact CD2-CB 4.26Å; Y161-F167 HydrophobicContact CE1-CB 4.36Å; Y161-F167 AromaticContact CE1-CD2 3.54Å; Y161-F167 HydrophobicContact CE1-CD2 3.54Å; Y161-F167 HydrophobicContact CE1-CE2 4.33Å; Y161-F167 HydrophobicContact CE1-CG 4.4Å; Y161-F167 HydrophobicContact CE2-CB 3.85Å; Y161-F167 HydrophobicContact CE2-CD2 4.42Å; Y161-F167 AromaticContact CZ-CD2 3.66Å; Y161-F167 WeakPolarHBondContact O-CB 3.27Å; M162-F167 HydrophobicContact CB-CD1 4.37Å; M162-F167 HydrophobicContact CB-CG 4.48Å; M162-F167 HydrophobicContact CE-CZ 4.47Å; M162-F167 HydrophobicContact CG-CD2 4.35Å; M162-F167 HydrophobicContact CG-CE2 4.31Å; M162-F167 HydrophobicContact CG-CG 4.47Å; M162-F167 HydrophobicContact CG-CZ 4.4Å; S164-F167 PolarHBondContact O-N 3.43Å; Y165-F167 VanDerWaalsContact C-N 3.33Å; Y165-F167 PolarHBondContact O-N 3Å; F167-L169 PolarHBondContact O-N 3.41Å; F167-D170 PolarHBondContact O-N 3.45Å; F167-I171 HydrophobicContact CD1-CG1 4.39Å; F167-I171 HydrophobicContact CD2-CG1 4.22Å; F167-I171 HydrophobicContact CE1-CG1 3.98Å; F167-I171 HydrophobicContact CE2-CD1 3.88Å; F167-I171 HydrophobicContact CE2-CG1 3.82Å; F167-I171 HydrophobicContact CZ-CD1 3.89Å; F167-I171 HydrophobicContact CZ-CG1 3.68Å; F167-I171 WeakPolarHBondContact O-CG1 3.27Å; F167-I171 PolarHBondContact O-N 3.43Å
168	L	96	Very high	94.2	Very high	117 Å²	117	68.8 Å²	68.8	61%	0.613	34%	0.335	S	S	*	.	H	α-helix	trans	-59.4	-47.3	174.9	-179.1	62.5	0	0	0	111.2	Y165 K166 D170 I171 T172	Y165-L168 WeakPolarHBondContact O-CB 3.47Å; Y165-L168 PolarHBondContact O-N 3.01Å; K166-L168 VanDerWaalsContact C-N 3.33Å; K166-L168 PolarHBondContact O-N 3.49Å; L168-D170 VanDerWaalsContact C-N 3.31Å; L168-D170 PolarHBondContact O-N 3.24Å; L168-I171 PolarHBondContact O-N 2.94Å; L168-T172 PolarHBondContact O-N 3.18Å; L168-T172 PolarHBondContact O-OG1 3.26Å
169	L	96.5	Very high	93.9	Very high	47 Å²	47	72.9 Å²	72.9	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-59.1	-41	176.8	-67.3	176.7	0	0	0	112.4	Y165 K166 F167 S173 L196 Y199	Y165-L169 HydrophobicContact CD2-CD1 3.71Å; Y165-L169 HydrophobicContact CD2-CG 4.33Å; Y165-L169 HydrophobicContact CE2-CD1 3.84Å; Y165-L169 WeakPolarHBondContact O-CG 3.35Å; Y165-L169 PolarHBondContact O-N 3.43Å; K166-L169 PolarHBondContact O-N 3.49Å; F167-L169 PolarHBondContact O-N 3.41Å; L169-S173 VanDerWaalsContact O-CB 3.31Å; L169-S173 WeakPolarHBondContact O-CB 3.18Å; L169-S173 PolarHBondContact O-N 2.77Å; L169-L196 HydrophobicContact CD2-CB 4.32Å; L169-L196 HydrophobicContact CD2-CD2 4.39Å; L169-Y199 HydrophobicContact CB-CD1 4.48Å; L169-Y199 HydrophobicContact CB-CE1 4.32Å; L169-Y199 HydrophobicContact CD1-CD1 3.94Å; L169-Y199 HydrophobicContact CD1-CE1 4.46Å
170	D	96.3	Very high	93.7	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-41.3	-179.6	-68.3	-37.8	0	0	0	112.1	I136 Q139 Y161 K166 F167 L168 S173 L174 K197 Y199	I136-D170 HydrophobicContact CD1-CB 4.09Å; I136-D170 HydrophobicContact CG1-CB 3.96Å; Q139-D170 PolarHBondContact NE2-OD2 2.74Å; Q139-D170 PolarHBondContact OE1-OD2 2.85Å; Y161-D170 PolarHBondContact OH-OD2 3.25Å; K166-D170 PolarHBondContact O-N 3.45Å; F167-D170 PolarHBondContact O-N 3.45Å; L168-D170 VanDerWaalsContact C-N 3.31Å; L168-D170 PolarHBondContact O-N 3.24Å; D170-S173 PolarHBondContact O-N 2.97Å; D170-S173 PolarHBondContact O-OG 3.24Å; D170-L174 PolarHBondContact O-N 3.38Å; D170-K197 WeakPolarHBondContact OD1-CD 3.47Å; D170-K197 WeakPolarHBondContact OD1-CE 3.38Å; D170-Y199 VanDerWaalsContact CG-OH 3.25Å; D170-Y199 WeakPolarHBondContact OD1-CE1 3.45Å; D170-Y199 PolarHBondContact OD1-OH 3.37Å; D170-Y199 VanDerWaalsContact OD1-OH 3.07Å; D170-Y199 PolarHBondContact OD2-OH 2.88Å
171	I	96	Very high	93.5	Very high	76 Å²	76	65.3 Å²	65.3	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-44.1	175	-64.8	-61.1	0	0	0	111	I136 F167 L168 S173 L174 L175	I136-I171 HydrophobicContact CD1-CD1 4.05Å; F167-I171 HydrophobicContact CD1-CG1 4.39Å; F167-I171 HydrophobicContact CD2-CG1 4.22Å; F167-I171 HydrophobicContact CE1-CG1 3.98Å; F167-I171 HydrophobicContact CE2-CD1 3.88Å; F167-I171 HydrophobicContact CE2-CG1 3.82Å; F167-I171 HydrophobicContact CZ-CD1 3.89Å; F167-I171 HydrophobicContact CZ-CG1 3.68Å; F167-I171 WeakPolarHBondContact O-CG1 3.27Å; F167-I171 PolarHBondContact O-N 3.43Å; L168-I171 PolarHBondContact O-N 2.94Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 3.44Å; I171-L174 PolarHBondContact O-N 3.4Å; I171-L174 VanDerWaalsContact O-N 3.17Å; I171-L175 PolarHBondContact O-N 2.9Å
172	T	95	Very high	93.1	Very high	47 Å²	47	73.2 Å²	73.2	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-63.6	-34.2	176.3	-52.2	0	0	0	0	111.7	L168 L174 L175 L196	L168-T172 PolarHBondContact O-N 3.18Å; L168-T172 PolarHBondContact O-OG1 3.26Å; T172-L174 PolarHBondContact O-N 3.45Å; T172-L175 HydrophobicContact CG2-CD1 3.96Å; T172-L175 WeakPolarHBondContact O-CG 3.21Å; T172-L175 PolarHBondContact O-N 3.02Å; T172-L196 HydrophobicContact CG2-CD1 3.35Å
173	S	95.3	Very high	92.8	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-67.1	-23.3	177.5	80.3	0	0	0	0	114	L169 D170 I171 P193 R194	L169-S173 VanDerWaalsContact O-CB 3.31Å; L169-S173 WeakPolarHBondContact O-CB 3.18Å; L169-S173 PolarHBondContact O-N 2.77Å; D170-S173 PolarHBondContact O-N 2.97Å; D170-S173 PolarHBondContact O-OG 3.24Å; I171-S173 VanDerWaalsContact C-N 3.26Å; I171-S173 PolarHBondContact O-N 3.44Å; S173-P193 WeakPolarHBondContact CA-O 3.43Å; S173-R194 WeakPolarHBondContact O-CD 3.32Å; S173-R194 WeakPolarHBondContact O-CG 3.35Å
174	L	94.3	Very high	92.5	Very high	33 Å²	33	74.3 Å²	74.3	17%	0.173	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	13.7	-178.3	-81.7	169.1	0	0	0	113.4	D129 Y132 L133 I136 D170 I171 T172	D129-L174 HydrophobicContact CB-CD2 4.37Å; Y132-L174 HydrophobicContact CD2-CD2 4.47Å; L133-L174 HydrophobicContact CD2-CD1 3.74Å; L133-L174 HydrophobicContact CD2-CD2 4.46Å; L133-L174 HydrophobicContact CG-CD1 4.02Å; L133-L174 HydrophobicContact CG-CD2 4.14Å; I136-L174 HydrophobicContact CD1-CD1 3.55Å; I136-L174 HydrophobicContact CG1-CD1 4.43Å; D170-L174 PolarHBondContact O-N 3.38Å; I171-L174 PolarHBondContact O-N 3.4Å; I171-L174 VanDerWaalsContact O-N 3.17Å; T172-L174 PolarHBondContact O-N 3.45Å
175	L	92.9	Very high	92.2	Very high	72 Å²	72	74.2 Å²	74.2	38%	0.377	38%	0.377	S	S	.	.			trans	-54.1	130.8	173.6	-75	172.4	0	0	0	109.6	I171 T172 L177	I171-L175 PolarHBondContact O-N 2.9Å; T172-L175 HydrophobicContact CG2-CD1 3.96Å; T172-L175 WeakPolarHBondContact O-CG 3.21Å; T172-L175 PolarHBondContact O-N 3.02Å; L175-L177 HydrophobicContact CB-CD2 4.34Å; L175-L177 HydrophobicContact CB-CG 4Å; L175-L177 PolarHBondContact O-N 3.1Å
176	P	91.1	Very high	91.9	Very high	85 Å²	85	70 Å²	70	55%	0.552	36%	0.364	S	S	*	.			trans	-77.8	48.4	-175.7	34.5	-38	0	0	0	111.6	D178 L179	P176-D178 PolarHBondContact O-N 3.03Å; P176-L179 HydrophobicContact CB-CD1 3.86Å; P176-L179 HydrophobicContact CB-CG 4.12Å; P176-L179 HydrophobicContact CG-CD1 4.35Å; P176-L179 WeakPolarHBondContact O-CB 3.4Å; P176-L179 WeakPolarHBondContact O-CG 3.3Å; P176-L179 PolarHBondContact O-N 2.97Å; P176-L179 VanDerWaalsContact O-N 3.12Å
177	L	90.3	Very high	91.7	Very high	54 Å²	54	70.4 Å²	70.4	28%	0.283	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.1	179	-62.1	-172.8	0	0	0	112.1	L175 L179 L180 L190 P193	L175-L177 HydrophobicContact CB-CD2 4.34Å; L175-L177 HydrophobicContact CB-CG 4Å; L175-L177 PolarHBondContact O-N 3.1Å; L177-L179 PolarHBondContact O-N 3.28Å; L177-L180 HydrophobicContact CD2-CD1 4.33Å; L177-L180 VanDerWaalsContact O-CB 3.24Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 WeakPolarHBondContact O-CG 3.01Å; L177-L180 PolarHBondContact O-N 3.05Å; L177-L190 HydrophobicContact CB-CB 4.44Å; L177-P193 HydrophobicContact CD1-CG 3.6Å
178	D	86.9	Confident	91.5	Very high	29 Å²	29	68.1 Å²	68.1	16%	0.155	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-63	-24.3	176.5	-60.7	-0.9	0	0	0	111.9	P176 L180 Q181 R191 R194	P176-D178 PolarHBondContact O-N 3.03Å; D178-L180 PolarHBondContact O-N 3Å; D178-Q181 WeakPolarHBondContact O-CB 3.18Å; D178-Q181 WeakPolarHBondContact O-CG 3.17Å; D178-Q181 PolarHBondContact O-N 3.03Å; D178-R191 IonicContact OD2-CZ 2.69Å; D178-R191 IonicContact OD2-NH1 2.99Å; D178-R191 PolarHBondContact OD2-NH1 3.34Å; D178-R194 IonicContact OD1-CZ 3.03Å; D178-R194 IonicContact OD1-NH1 3.45Å; D178-R194 PolarHBondContact OD1-NH1 2.79Å; D178-R194 IonicContact OD1-NH2 2.76Å; D178-R194 PolarHBondContact OD1-NH2 3.19Å; D178-R194 VanDerWaalsContact OD1-NH2 3.12Å; D178-R194 IonicContact OD2-CZ 3.37Å; D178-R194 IonicContact OD2-NH1 2.83Å; D178-R194 IonicContact OD2-NH2 3.12Å; D178-R194 PolarHBondContact OD2-NH2 2.91Å
179	L	88.2	Confident	91.3	Very high	110 Å²	110	65.1 Å²	65.1	58%	0.576	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.4	173.3	-61	178.9	0	0	0	112.2	P176 L177 Q181 F182	P176-L179 HydrophobicContact CB-CD1 3.86Å; P176-L179 HydrophobicContact CB-CG 4.12Å; P176-L179 HydrophobicContact CG-CD1 4.35Å; P176-L179 WeakPolarHBondContact O-CB 3.4Å; P176-L179 WeakPolarHBondContact O-CG 3.3Å; P176-L179 PolarHBondContact O-N 2.97Å; P176-L179 VanDerWaalsContact O-N 3.12Å; L177-L179 PolarHBondContact O-N 3.28Å; L179-Q181 PolarHBondContact O-N 2.92Å; L179-F182 HydrophobicContact CD2-CD2 4.42Å; L179-F182 HydrophobicContact CD2-CE2 3.88Å; L179-F182 VanDerWaalsContact O-CD2 3.31Å; L179-F182 WeakPolarHBondContact O-CD2 3.36Å; L179-F182 PolarHBondContact O-N 2.98Å
180	L	90.3	Very high	91.1	Very high	96 Å²	96	65 Å²	65	50%	0.503	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-69.2	-19.4	174.5	-60.1	172.8	0	0	0	112.2	L177 D178 F182 K183 V184 L190	L177-L180 HydrophobicContact CD2-CD1 4.33Å; L177-L180 VanDerWaalsContact O-CB 3.24Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 WeakPolarHBondContact O-CG 3.01Å; L177-L180 PolarHBondContact O-N 3.05Å; D178-L180 PolarHBondContact O-N 3Å; L180-F182 PolarHBondContact O-N 3.43Å; L180-K183 PolarHBondContact O-N 2.96Å; L180-K183 VanDerWaalsContact O-N 3.08Å; L180-V184 PolarHBondContact O-N 3.39Å; L180-L190 HydrophobicContact CB-CD1 4.25Å
181	Q	87.6	Confident	91	Very high	22 Å²	22	65.1 Å²	65.1	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-25.5	177.8	-63.2	179.7	-5	0	0	112.5	D178 L179 K183 G185 Q187 L190	D178-Q181 WeakPolarHBondContact O-CB 3.18Å; D178-Q181 WeakPolarHBondContact O-CG 3.17Å; D178-Q181 PolarHBondContact O-N 3.03Å; L179-Q181 PolarHBondContact O-N 2.92Å; Q181-K183 PolarHBondContact O-N 3.34Å; Q181-G185 VanDerWaalsContact CA-O 3.29Å; Q181-G185 WeakPolarHBondContact CA-O 3.35Å; Q181-G185 WeakPolarHBondContact CB-O 3.31Å; Q181-G185 CarbonylContact O-C 3.33Å; Q181-G185 VanDerWaalsContact O-CA 3.26Å; Q181-G185 WeakPolarHBondContact O-CA 3.37Å; Q181-G185 PolarHBondContact O-N 2.74Å; Q181-Q187 PolarHBondContact NE2-O 3.02Å; Q181-L190 HydrophobicContact CG-CD1 3.59Å
182	F	87.8	Confident	90.8	Very high	182 Å²	182	66.8 Å²	66.8	80%	0.798	35%	0.345	S	S	*	.	H	α-helix	trans	-61.9	-26.6	173.6	-68.3	-64.5	0	0	0	112.8	L179 L180	L179-F182 HydrophobicContact CD2-CD2 4.42Å; L179-F182 HydrophobicContact CD2-CE2 3.88Å; L179-F182 VanDerWaalsContact O-CD2 3.31Å; L179-F182 WeakPolarHBondContact O-CD2 3.36Å; L179-F182 PolarHBondContact O-N 2.98Å; L180-F182 PolarHBondContact O-N 3.43Å
183	K	89.3	Confident	90.8	Very high	198 Å²	198	65.7 Å²	65.7	86%	0.861	34%	0.339	S	S	*	.	H	α-helix	trans	-102.6	-40.3	-178.8	-170.6	177.8	-178.6	-179.2	0	113.3	L180 Q181	L180-K183 PolarHBondContact O-N 2.96Å; L180-K183 VanDerWaalsContact O-N 3.08Å; Q181-K183 PolarHBondContact O-N 3.34Å
184	V	88	Confident	90.8	Very high	97 Å²	97	66 Å²	66	59%	0.588	34%	0.34	S	S	*	.	H	α-helix	trans	-93.7	-9.6	-173.2	-175.7	0	0	0	0	112.2	L180 Q187	L180-V184 PolarHBondContact O-N 3.39Å; V184-Q187 HydrophobicContact CG1-CG 4.19Å
185	G	87.3	Confident	90.7	Very high	34 Å²	34	65.8 Å²	65.8	35%	0.351	34%	0.338	S	S	.	.			trans	88.9	174.4	-169.8	0	0	0	0	0	112.2	Q181 Q187	Q181-G185 VanDerWaalsContact CA-O 3.29Å; Q181-G185 WeakPolarHBondContact CA-O 3.35Å; Q181-G185 WeakPolarHBondContact CB-O 3.31Å; Q181-G185 CarbonylContact O-C 3.33Å; Q181-G185 VanDerWaalsContact O-CA 3.26Å; Q181-G185 WeakPolarHBondContact O-CA 3.37Å; Q181-G185 PolarHBondContact O-N 2.74Å; G185-Q187 PolarHBondContact O-N 2.99Å
186	I	88.5	Confident	90.8	Very high	60 Å²	60	65.7 Å²	65.7	31%	0.308	34%	0.337	S	S	.	.			trans	-69.3	105.1	-176.6	-57.8	173.9	0	0	0	109.2	Q114 F122	Q114-I186 HydrophobicContact CG-CG2 4.07Å; F122-I186 HydrophobicContact CZ-CD1 4.21Å
187	Q	91.5	Very high	91	Very high	68 Å²	68	61.7 Å²	61.7	32%	0.318	31%	0.311	S	S	.	.			trans	-119.2	92.7	177.1	-63.6	-62	-22.5	0	0	109.7	Q181 V184 G185 M189 L190	Q181-Q187 PolarHBondContact NE2-O 3.02Å; V184-Q187 HydrophobicContact CG1-CG 4.19Å; G185-Q187 PolarHBondContact O-N 2.99Å; Q187-M189 PolarHBondContact O-N 2.96Å; Q187-M189 VanDerWaalsContact O-N 3.12Å; Q187-L190 HydrophobicContact CB-CD1 4.02Å; Q187-L190 HydrophobicContact CB-CG 4.13Å; Q187-L190 WeakPolarHBondContact O-CB 3.47Å; Q187-L190 PolarHBondContact O-N 3.24Å; Q187-L190 VanDerWaalsContact O-N 3.16Å
188	P	92.8	Very high	91.2	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.019	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-53.5	-30.6	-179.4	-29	35.3	0	0	0	114.3	R107 Q108 Q114 L190 R191	R107-P188 HydrophobicContact CB-CB 3.84Å; R107-P188 HydrophobicContact CB-CG 3.72Å; Q108-P188 VanDerWaalsContact OE1-CD 3.3Å; Q114-P188 HydrophobicContact CG-CG 4.4Å; P188-L190 PolarHBondContact O-N 3.33Å; P188-R191 WeakPolarHBondContact O-CB 3.5Å; P188-R191 WeakPolarHBondContact O-CG 3.33Å; P188-R191 PolarHBondContact O-N 3.45Å; P188-R191 VanDerWaalsContact O-N 3.09Å
189	M	91.2	Very high	91.6	Very high	54 Å²	54	65.8 Å²	65.8	27%	0.266	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-70.3	-11.4	-177.3	-152.8	59.5	163	0	0	114.5	I105 Q108 Q187 R191 F192 W233	I105-M189 HydrophobicContact CD1-CE 3.89Å; I105-M189 HydrophobicContact CD1-SD 4.41Å; Q108-M189 HydrophobicContact CG-CB 4.32Å; Q187-M189 PolarHBondContact O-N 2.96Å; Q187-M189 VanDerWaalsContact O-N 3.12Å; M189-R191 PolarHBondContact O-N 2.88Å; M189-R191 VanDerWaalsContact O-N 3.07Å; M189-F192 HydrophobicContact CE-CD2 3.98Å; M189-F192 WeakPolarHBondContact O-CB 3.46Å; M189-F192 PolarHBondContact O-N 3.17Å; M189-W233 HydrophobicContact CE-CH2 4.13Å; M189-W233 HydrophobicContact CE-CZ3 4.02Å
190	L	92.8	Very high	92	Very high	44 Å²	44	61 Å²	61	23%	0.23	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.1	-14.1	167.9	-69	172	0	0	0	112.7	L177 L180 Q181 Q187 P188 F192 P193 R194	L177-L190 HydrophobicContact CB-CB 4.44Å; L180-L190 HydrophobicContact CB-CD1 4.25Å; Q181-L190 HydrophobicContact CG-CD1 3.59Å; Q187-L190 HydrophobicContact CB-CD1 4.02Å; Q187-L190 HydrophobicContact CB-CG 4.13Å; Q187-L190 WeakPolarHBondContact O-CB 3.47Å; Q187-L190 PolarHBondContact O-N 3.24Å; Q187-L190 VanDerWaalsContact O-N 3.16Å; P188-L190 PolarHBondContact O-N 3.33Å; L190-F192 VanDerWaalsContact C-N 3.26Å; L190-F192 PolarHBondContact O-N 2.96Å; L190-P193 VanDerWaalsContact O-CD 3.3Å; L190-P193 WeakPolarHBondContact O-CD 3.4Å; L190-R194 PolarHBondContact O-NH1 3.34Å
191	R	93.7	Very high	92.2	Very high	4 Å²	4	57 Å²	57	2%	0.015	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-76.8	-3.4	172	-57.1	-172.3	86.8	79	5.4	114.4	N100 P104 D125 D129 D178 P188 M189 P193 R194	N100-R191 PolarHBondContact OD1-NE 3.04Å; P104-R191 HydrophobicContact CG-CB 4.28Å; D125-R191 PolarHBondContact O-NH2 2.7Å; D125-R191 WeakPolarHBondContact OD1-CD 3.4Å; D125-R191 IonicContact OD1-CZ 2.76Å; D125-R191 VanDerWaalsContact OD1-CZ 3.32Å; D125-R191 IonicContact OD1-NE 3.63Å; D125-R191 PolarHBondContact OD1-NE 2.93Å; D125-R191 VanDerWaalsContact OD1-NE 3.12Å; D125-R191 IonicContact OD1-NH1 3.63Å; D125-R191 IonicContact OD1-NH2 3.09Å; D125-R191 IonicContact OD2-CZ 2.71Å; D125-R191 IonicContact OD2-NE 3.88Å; D125-R191 IonicContact OD2-NH1 2.7Å; D125-R191 PolarHBondContact OD2-NH1 3.05Å; D129-R191 IonicContact OD1-NH2 3.34Å; D129-R191 PolarHBondContact OD1-NH2 2.87Å; D129-R191 VanDerWaalsContact OD1-NH2 3.09Å; D129-R191 IonicContact OD2-CZ 2.74Å; D129-R191 IonicContact OD2-NH1 3.66Å; D129-R191 IonicContact OD2-NH2 3.08Å; D129-R191 PolarHBondContact OD2-NH2 2.96Å; D178-R191 IonicContact OD2-CZ 2.69Å; D178-R191 IonicContact OD2-NH1 2.99Å; D178-R191 PolarHBondContact OD2-NH1 3.34Å; P188-R191 WeakPolarHBondContact O-CB 3.5Å; P188-R191 WeakPolarHBondContact O-CG 3.33Å; P188-R191 PolarHBondContact O-N 3.45Å; P188-R191 VanDerWaalsContact O-N 3.09Å; M189-R191 PolarHBondContact O-N 2.88Å; M189-R191 VanDerWaalsContact O-N 3.07Å; R191-P193 VanDerWaalsContact C-CD 3.4Å; R191-R194 VanDerWaalsContact O-CB 3.28Å; R191-R194 WeakPolarHBondContact O-CB 3.32Å; R191-R194 WeakPolarHBondContact O-CD 3.5Å; R191-R194 PolarHBondContact O-N 2.72Å
192	F	92.2	Very high	92.5	Very high	110 Å²	110	63.7 Å²	63.7	48%	0.482	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-52.8	-38.4	-178.4	-170.3	-91.8	0	0	0	115.2	M189 L190 R194 F195 W233	M189-F192 HydrophobicContact CE-CD2 3.98Å; M189-F192 WeakPolarHBondContact O-CB 3.46Å; M189-F192 PolarHBondContact O-N 3.17Å; L190-F192 VanDerWaalsContact C-N 3.26Å; L190-F192 PolarHBondContact O-N 2.96Å; F192-R194 PolarHBondContact O-N 3.29Å; F192-F195 HydrophobicContact CB-CD2 4.34Å; F192-F195 HydrophobicContact CB-CE2 4.44Å; F192-F195 HydrophobicContact CD1-CD2 4.32Å; F192-F195 AromaticContact CD2-CD2 3.39Å; F192-F195 HydrophobicContact CD2-CD2 3.39Å; F192-F195 AromaticContact CD2-CE2 3.41Å; F192-F195 HydrophobicContact CD2-CE2 3.41Å; F192-F195 VanDerWaalsContact CD2-CE2 3.41Å; F192-F195 HydrophobicContact CE1-CD2 4.49Å; F192-F195 AromaticContact CE2-CD2 3.58Å; F192-F195 HydrophobicContact CE2-CD2 3.58Å; F192-F195 AromaticContact CE2-CE2 3.8Å; F192-F195 HydrophobicContact CE2-CE2 3.8Å; F192-F195 AromaticContact CG-CD2 3.77Å; F192-F195 HydrophobicContact CG-CD2 3.77Å; F192-F195 HydrophobicContact CG-CE2 4.08Å; F192-F195 HydrophobicContact CZ-CD2 4.15Å; F192-F195 WeakPolarHBondContact O-CB 3.27Å; F192-F195 WeakPolarHBondContact O-CD2 3.38Å; F192-F195 WeakPolarHBondContact O-CG 3.43Å; F192-F195 PolarHBondContact O-N 3.35Å; F192-W233 HydrophobicContact CE2-CH2 4.23Å
193	P	95	Very high	92.8	Very high	25 Å²	25	56.4 Å²	56.4	16%	0.162	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59.1	-22.6	177.7	-26.1	36.1	0	0	0	114.6	S173 L177 L190 R191 F195 L196	S173-P193 WeakPolarHBondContact CA-O 3.43Å; L177-P193 HydrophobicContact CD1-CG 3.6Å; L190-P193 VanDerWaalsContact O-CD 3.3Å; L190-P193 WeakPolarHBondContact O-CD 3.4Å; R191-P193 VanDerWaalsContact C-CD 3.4Å; P193-F195 PolarHBondContact O-N 3.18Å; P193-L196 WeakPolarHBondContact O-CB 3.28Å; P193-L196 WeakPolarHBondContact O-CG 3.4Å; P193-L196 PolarHBondContact O-N 3.17Å
194	R	94.7	Very high	93.1	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.019	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-60	-18.4	176.7	-74.5	74	175.9	-166.6	-12.8	112.2	N100 D129 Y132 S173 D178 L190 R191 F192 L196 K197	N100-R194 HydrophobicContact CB-CB 4.29Å; D129-R194 IonicContact OD1-CZ 2.73Å; D129-R194 IonicContact OD1-NE 3.84Å; D129-R194 PolarHBondContact OD1-NE 3.24Å; D129-R194 IonicContact OD1-NH2 3.81Å; D129-R194 IonicContact OD2-NH2 3.39Å; D129-R194 PolarHBondContact OD2-NH2 2.81Å; Y132-R194 HydrophobicContact CD2-CG 4.44Å; Y132-R194 HydrophobicContact CE2-CB 3.85Å; Y132-R194 HydrophobicContact CE2-CG 4.03Å; Y132-R194 PolarHBondContact OH-O 3.31Å; S173-R194 WeakPolarHBondContact O-CD 3.32Å; S173-R194 WeakPolarHBondContact O-CG 3.35Å; D178-R194 IonicContact OD1-CZ 3.03Å; D178-R194 IonicContact OD1-NH1 3.45Å; D178-R194 PolarHBondContact OD1-NH1 2.79Å; D178-R194 IonicContact OD1-NH2 2.76Å; D178-R194 PolarHBondContact OD1-NH2 3.19Å; D178-R194 VanDerWaalsContact OD1-NH2 3.12Å; D178-R194 IonicContact OD2-CZ 3.37Å; D178-R194 IonicContact OD2-NH1 2.83Å; D178-R194 IonicContact OD2-NH2 3.12Å; D178-R194 PolarHBondContact OD2-NH2 2.91Å; L190-R194 PolarHBondContact O-NH1 3.34Å; R191-R194 VanDerWaalsContact O-CB 3.28Å; R191-R194 WeakPolarHBondContact O-CB 3.32Å; R191-R194 WeakPolarHBondContact O-CD 3.5Å; R191-R194 PolarHBondContact O-N 2.72Å; F192-R194 PolarHBondContact O-N 3.29Å; R194-L196 VanDerWaalsContact C-N 3.29Å; R194-L196 PolarHBondContact O-N 3.31Å; R194-K197 PolarHBondContact O-N 2.92Å
195	F	92.8	Very high	93.4	Very high	29 Å²	29	47.4 Å²	47.4	13%	0.127	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-67.1	-23	173.4	-67.2	-48.3	0	0	0	115.3	L97 N100 L101 F192 P193 K197 W198 W233	L97-F195 HydrophobicContact CD1-CD1 4.32Å; N100-F195 HydrophobicContact CB-CE1 4.32Å; N100-F195 WeakPolarHBondContact O-CE1 2.79Å; N100-F195 WeakPolarHBondContact O-CZ 3.48Å; L101-F195 HydrophobicContact CB-CE1 3.72Å; L101-F195 HydrophobicContact CD1-CD1 3.85Å; L101-F195 HydrophobicContact CD1-CE1 3.42Å; L101-F195 VanDerWaalsContact CD1-CE1 3.42Å; L101-F195 HydrophobicContact CD1-CZ 3.99Å; L101-F195 HydrophobicContact CG-CE1 4.16Å; F192-F195 HydrophobicContact CB-CD2 4.34Å; F192-F195 HydrophobicContact CB-CE2 4.44Å; F192-F195 HydrophobicContact CD1-CD2 4.32Å; F192-F195 AromaticContact CD2-CD2 3.39Å; F192-F195 HydrophobicContact CD2-CD2 3.39Å; F192-F195 AromaticContact CD2-CE2 3.41Å; F192-F195 HydrophobicContact CD2-CE2 3.41Å; F192-F195 VanDerWaalsContact CD2-CE2 3.41Å; F192-F195 HydrophobicContact CE1-CD2 4.49Å; F192-F195 AromaticContact CE2-CD2 3.58Å; F192-F195 HydrophobicContact CE2-CD2 3.58Å; F192-F195 AromaticContact CE2-CE2 3.8Å; F192-F195 HydrophobicContact CE2-CE2 3.8Å; F192-F195 AromaticContact CG-CD2 3.77Å; F192-F195 HydrophobicContact CG-CD2 3.77Å; F192-F195 HydrophobicContact CG-CE2 4.08Å; F192-F195 HydrophobicContact CZ-CD2 4.15Å; F192-F195 WeakPolarHBondContact O-CB 3.27Å; F192-F195 WeakPolarHBondContact O-CD2 3.38Å; F192-F195 WeakPolarHBondContact O-CG 3.43Å; F192-F195 PolarHBondContact O-N 3.35Å; P193-F195 PolarHBondContact O-N 3.18Å; F195-K197 PolarHBondContact O-N 2.9Å; F195-W198 WeakPolarHBondContact O-CB 3.46Å; F195-W198 PolarHBondContact O-N 3.23Å; F195-W233 AromaticContact CE2-CH2 3.9Å; F195-W233 HydrophobicContact CE2-CH2 3.9Å; F195-W233 HydrophobicContact CE2-CZ2 4.11Å; F195-W233 HydrophobicContact CZ-CH2 4.07Å; F195-W233 AromaticContact CZ-CZ2 3.79Å; F195-W233 HydrophobicContact CZ-CZ2 3.79Å
196	L	95.1	Very high	93.6	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.366	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-59.6	-18.5	178.5	-65.3	174.9	0	0	0	112.3	L169 T172 P193 R194 W198	L169-L196 HydrophobicContact CD2-CB 4.32Å; L169-L196 HydrophobicContact CD2-CD2 4.39Å; T172-L196 HydrophobicContact CG2-CD1 3.35Å; P193-L196 WeakPolarHBondContact O-CB 3.28Å; P193-L196 WeakPolarHBondContact O-CG 3.4Å; P193-L196 PolarHBondContact O-N 3.17Å; R194-L196 VanDerWaalsContact C-N 3.29Å; R194-L196 PolarHBondContact O-N 3.31Å; L196-W198 PolarHBondContact O-N 2.9Å
197	K	94.9	Very high	93.8	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-73.1	3.5	172.4	-147.8	132.4	-174.1	-71.4	0	114.6	L97 Y132 D135 D170 R194 F195 Y199 R200	L97-K197 HydrophobicContact CD1-CB 4.3Å; Y132-K197 HydrophobicContact CD1-CD 3.81Å; Y132-K197 HydrophobicContact CD2-CD 3.64Å; Y132-K197 HydrophobicContact CE1-CB 4.48Å; Y132-K197 HydrophobicContact CE1-CD 3.83Å; Y132-K197 HydrophobicContact CE1-CG 4.25Å; Y132-K197 HydrophobicContact CE2-CB 3.95Å; Y132-K197 HydrophobicContact CE2-CD 3.66Å; Y132-K197 HydrophobicContact CE2-CG 4.31Å; Y132-K197 HydrophobicContact CG-CD 3.71Å; D135-K197 VanDerWaalsContact CG-NZ 3.3Å; D135-K197 WeakPolarHBondContact OD2-CE 3.29Å; D135-K197 IonicContact OD2-NZ 3.08Å; D135-K197 PolarHBondContact OD2-NZ 3.34Å; D170-K197 WeakPolarHBondContact OD1-CD 3.47Å; D170-K197 WeakPolarHBondContact OD1-CE 3.38Å; R194-K197 PolarHBondContact O-N 2.92Å; F195-K197 PolarHBondContact O-N 2.9Å; K197-Y199 PolarHBondContact O-N 3.28Å; K197-R200 HydrophobicContact CG-CB 4.23Å; K197-R200 HydrophobicContact CG-CG 3.83Å; K197-R200 WeakPolarHBondContact O-CB 3.37Å; K197-R200 PolarHBondContact O-N 2.9Å
198	W	95	Very high	93.9	Very high	143 Å²	143	47.2 Å²	47.2	54%	0.542	21%	0.21	S	C	.	.	H	α-helix	trans	-47.3	-35.6	175	169.6	-102	0	0	0	113.9	L97 F195 L196 R200 C201 R202	L97-W198 HydrophobicContact CD2-CE3 4.13Å; F195-W198 WeakPolarHBondContact O-CB 3.46Å; F195-W198 PolarHBondContact O-N 3.23Å; L196-W198 PolarHBondContact O-N 2.9Å; W198-R200 PolarHBondContact O-N 2.9Å; W198-R200 VanDerWaalsContact O-N 3.13Å; W198-C201 PolarHBondContact O-N 3.42Å; W198-R202 PolarHBondContact O-N 2.82Å
199	Y	95.8	Very high	93.8	Very high	27 Å²	27	48.8 Å²	48.8	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-29.8	179.8	84	-91.6	0	0	0	112.8	Q139 K166 L169 D170 K197 E203	Q139-Y199 PolarHBondContact NE2-OH 3.35Å; Q139-Y199 PolarHBondContact OE1-OH 3.21Å; K166-Y199 HydrophobicContact CB-CE2 4.25Å; K166-Y199 HydrophobicContact CD-CD2 4.45Å; K166-Y199 HydrophobicContact CD-CE2 3.89Å; K166-Y199 HydrophobicContact CG-CD2 4.39Å; K166-Y199 HydrophobicContact CG-CE2 3.96Å; L169-Y199 HydrophobicContact CB-CD1 4.48Å; L169-Y199 HydrophobicContact CB-CE1 4.32Å; L169-Y199 HydrophobicContact CD1-CD1 3.94Å; L169-Y199 HydrophobicContact CD1-CE1 4.46Å; D170-Y199 VanDerWaalsContact CG-OH 3.25Å; D170-Y199 WeakPolarHBondContact OD1-CE1 3.45Å; D170-Y199 PolarHBondContact OD1-OH 3.37Å; D170-Y199 VanDerWaalsContact OD1-OH 3.07Å; D170-Y199 PolarHBondContact OD2-OH 2.88Å; K197-Y199 PolarHBondContact O-N 3.28Å; Y199-E203 WeakPolarHBondContact O-CB 3.49Å; Y199-E203 PolarHBondContact O-N 3.41Å
200	R	95.2	Very high	93.7	Very high	9 Å²	9	52.2 Å²	52.2	3%	0.034	24%	0.236	C	C	.	.	H	α-helix	trans	-69.6	-42.7	174.9	-70.4	-81.3	157	-155	-18.7	111.7	Y86 V93 D135 Q139 K197 W198 E203 W204	Y86-R200 PolarHBondContact OH-NH1 2.7Å; V93-R200 HydrophobicContact CG1-CB 3.92Å; V93-R200 HydrophobicContact CG1-CG 4.2Å; D135-R200 IonicContact OD2-NE 2.88Å; Q139-R200 VanDerWaalsContact CG-CZ 3.46Å; K197-R200 HydrophobicContact CG-CB 4.23Å; K197-R200 HydrophobicContact CG-CG 3.83Å; K197-R200 WeakPolarHBondContact O-CB 3.37Å; K197-R200 PolarHBondContact O-N 2.9Å; W198-R200 PolarHBondContact O-N 2.9Å; W198-R200 VanDerWaalsContact O-N 3.13Å; R200-E203 IonicContact CZ-OE2 3.38Å; R200-E203 IonicContact NH1-OE2 2.95Å; R200-E203 WeakPolarHBondContact O-CB 3.4Å; R200-E203 PolarHBondContact O-N 2.8Å; R200-W204 WeakPolarHBondContact O-CB 3.32Å; R200-W204 PolarHBondContact O-N 2.87Å
201	C	94.6	Very high	93.5	Very high	12 Å²	12	55.4 Å²	55.4	8%	0.081	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-38.4	175.9	-176.6	0	0	0	0	111.6	L97 W198 E203 W204 K205	L97-C201 HydrophobicContact CD2-CB 3.33Å; W198-C201 PolarHBondContact O-N 3.42Å; C201-E203 VanDerWaalsContact C-N 3.33Å; C201-E203 PolarHBondContact O-N 2.89Å; C201-W204 WeakPolarHBondContact O-CB 3.45Å; C201-W204 PolarHBondContact O-N 2.95Å; C201-K205 WeakPolarHBondContact O-CB 3.35Å; C201-K205 PolarHBondContact O-N 3.33Å
202	R	94.5	Very high	93.2	Very high	162 Å²	162	57.5 Å²	57.5	61%	0.611	26%	0.259	S	S	*	.	H	α-helix	trans	-60	-44.8	170.3	178.9	-179.4	164.5	-177.8	-2.9	111.5	W198 W204 K205 I206	W198-R202 PolarHBondContact O-N 2.82Å; R202-W204 VanDerWaalsContact C-N 3.31Å; R202-W204 PolarHBondContact O-N 3.23Å; R202-K205 PolarHBondContact O-N 2.89Å; R202-I206 HydrophobicContact CG-CD1 4.03Å; R202-I206 WeakPolarHBondContact O-CG1 3.23Å; R202-I206 PolarHBondContact O-N 3.46Å; R202-I206 VanDerWaalsContact O-N 3.17Å
203	E	94.7	Very high	92.9	Very high	29 Å²	29	59.1 Å²	59.1	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-41.7	176.9	-175.1	175.2	169.3	0	0	111.9	Y86 L90 Y199 R200 C201 R207	Y86-E203 PolarHBondContact OH-OE1 3.39Å; L90-E203 HydrophobicContact CD1-CG 4.15Å; Y199-E203 WeakPolarHBondContact O-CB 3.49Å; Y199-E203 PolarHBondContact O-N 3.41Å; R200-E203 IonicContact CZ-OE2 3.38Å; R200-E203 IonicContact NH1-OE2 2.95Å; R200-E203 WeakPolarHBondContact O-CB 3.4Å; R200-E203 PolarHBondContact O-N 2.8Å; C201-E203 VanDerWaalsContact C-N 3.33Å; C201-E203 PolarHBondContact O-N 2.89Å; E203-R207 VanDerWaalsContact CD-NH1 3.28Å; E203-R207 WeakPolarHBondContact O-CG 3.44Å; E203-R207 PolarHBondContact O-N 3.37Å; E203-R207 IonicContact OE1-CZ 3.32Å; E203-R207 IonicContact OE1-NH1 3.12Å; E203-R207 PolarHBondContact OE1-NH1 2.85Å; E203-R207 IonicContact OE1-NH2 3.93Å; E203-R207 PolarHBondContact OE1-NH2 3.38Å
204	W	95.3	Very high	92.4	Very high	33 Å²	33	64.1 Å²	64.1	13%	0.125	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-52.2	174.7	169.8	77.8	0	0	0	112.1	L90 T91 S94 R200 C201 R202 I206 R207 V208 W218	L90-W204 HydrophobicContact CB-CB 4.14Å; L90-W204 HydrophobicContact CB-CG 4.47Å; T91-W204 HydrophobicContact CG2-CZ2 4.42Å; T91-W204 PolarHBondContact OG1-NE1 3.49Å; S94-W204 WeakPolarHBondContact OG-CB 3.19Å; S94-W204 VanDerWaalsContact OG-CG 3.29Å; R200-W204 WeakPolarHBondContact O-CB 3.32Å; R200-W204 PolarHBondContact O-N 2.87Å; C201-W204 WeakPolarHBondContact O-CB 3.45Å; C201-W204 PolarHBondContact O-N 2.95Å; R202-W204 VanDerWaalsContact C-N 3.31Å; R202-W204 PolarHBondContact O-N 3.23Å; W204-I206 VanDerWaalsContact C-N 3.3Å; W204-I206 PolarHBondContact O-N 3.3Å; W204-R207 PolarHBondContact O-N 2.92Å; W204-V208 HydrophobicContact CD2-CG2 4.19Å; W204-V208 HydrophobicContact CG-CG2 4.28Å; W204-V208 HydrophobicContact CZ2-CG2 4.19Å; W204-V208 WeakPolarHBondContact O-CG2 3.33Å; W204-V208 PolarHBondContact O-N 3.1Å; W204-W218 AromaticContact CH2-CH2 3.47Å; W204-W218 HydrophobicContact CH2-CH2 3.47Å; W204-W218 VanDerWaalsContact CH2-CH2 3.47Å; W204-W218 AromaticContact CH2-CZ2 3.77Å; W204-W218 HydrophobicContact CH2-CZ2 3.77Å; W204-W218 AromaticContact CZ2-CH2 3.81Å; W204-W218 HydrophobicContact CZ2-CH2 3.81Å; W204-W218 HydrophobicContact CZ2-CZ2 4.18Å; W204-W218 HydrophobicContact CZ3-CH2 4.16Å; W204-W218 HydrophobicContact CZ3-CZ2 4.01Å
205	K	93.9	Very high	92	Very high	73 Å²	73	66.1 Å²	66.1	32%	0.317	30%	0.304	S	S	.	.	H	α-helix	trans	-52.4	-48.1	-179.4	179.7	-176.3	173.8	-178.3	0	111.6	C201 R202 R207 V208 E209 W218	C201-K205 WeakPolarHBondContact O-CB 3.35Å; C201-K205 PolarHBondContact O-N 3.33Å; R202-K205 PolarHBondContact O-N 2.89Å; K205-R207 VanDerWaalsContact C-N 3.35Å; K205-R207 PolarHBondContact O-N 2.93Å; K205-V208 PolarHBondContact O-N 3.46Å; K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 PolarHBondContact O-N 3.03Å; K205-W218 PolarHBondContact O-NE1 3.17Å
206	I	92.3	Very high	91.6	Very high	75 Å²	75	66.3 Å²	66.3	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-41.5	178.9	-66.4	167.2	0	0	0	111	R202 W204 E209 N210	R202-I206 HydrophobicContact CG-CD1 4.03Å; R202-I206 WeakPolarHBondContact O-CG1 3.23Å; R202-I206 PolarHBondContact O-N 3.46Å; R202-I206 VanDerWaalsContact O-N 3.17Å; W204-I206 VanDerWaalsContact C-N 3.3Å; W204-I206 PolarHBondContact O-N 3.3Å; I206-E209 PolarHBondContact O-N 3.41Å; I206-N210 WeakPolarHBondContact O-CB 3.45Å; I206-N210 PolarHBondContact O-N 3.29Å; I206-N210 PolarHBondContact O-ND2 2.97Å; I206-N210 PolarHBondContact O-OD1 3.48Å
207	R	92.3	Very high	91.1	Very high	57 Å²	57	67.6 Å²	67.6	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-70.2	-38.8	179.8	-79.4	-177.6	164.7	78.9	-17.1	113.2	S81 L87 E203 W204 K205 E209 N210 R211	S81-R207 PolarHBondContact O-NE 3.02Å; S81-R207 PolarHBondContact O-NH2 3.41Å; L87-R207 HydrophobicContact CD1-CB 3.87Å; E203-R207 VanDerWaalsContact CD-NH1 3.28Å; E203-R207 WeakPolarHBondContact O-CG 3.44Å; E203-R207 PolarHBondContact O-N 3.37Å; E203-R207 IonicContact OE1-CZ 3.32Å; E203-R207 IonicContact OE1-NH1 3.12Å; E203-R207 PolarHBondContact OE1-NH1 2.85Å; E203-R207 IonicContact OE1-NH2 3.93Å; E203-R207 PolarHBondContact OE1-NH2 3.38Å; W204-R207 PolarHBondContact O-N 2.92Å; K205-R207 VanDerWaalsContact C-N 3.35Å; K205-R207 PolarHBondContact O-N 2.93Å; R207-E209 VanDerWaalsContact C-N 3.34Å; R207-N210 PolarHBondContact O-N 3.36Å; R207-R211 WeakPolarHBondContact O-CG 3.39Å; R207-R211 PolarHBondContact O-N 2.98Å
208	V	92.4	Very high	90.8	Very high	26 Å²	26	69.8 Å²	69.8	16%	0.158	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-45.1	174.1	175.6	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 4.19Å; W204-V208 HydrophobicContact CG-CG2 4.28Å; W204-V208 HydrophobicContact CZ2-CG2 4.19Å; W204-V208 WeakPolarHBondContact O-CG2 3.33Å; W204-V208 PolarHBondContact O-N 3.1Å; K205-V208 PolarHBondContact O-N 3.46Å; V208-N210 VanDerWaalsContact C-N 3.31Å; V208-N210 PolarHBondContact O-N 2.97Å; V208-R211 PolarHBondContact O-N 3.48Å; V208-R211 VanDerWaalsContact O-N 3.08Å; V208-T212 WeakPolarHBondContact O-CG2 3.33Å; V208-T212 PolarHBondContact O-N 3.47Å; V208-W218 HydrophobicContact CB-CH2 4.46Å; V208-W218 HydrophobicContact CB-CZ2 3.85Å; V208-W218 HydrophobicContact CG1-CD2 3.88Å; V208-W218 HydrophobicContact CG1-CE3 4.1Å; V208-W218 HydrophobicContact CG1-CH2 3.83Å; V208-W218 HydrophobicContact CG1-CZ2 3.58Å; V208-W218 HydrophobicContact CG1-CZ3 4.08Å; V208-W218 HydrophobicContact CG2-CZ2 4.38Å
209	E	90.9	Very high	90.4	Very high	37 Å²	37	67.5 Å²	67.5	17%	0.173	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-41.1	176.9	-170.1	174.2	172	0	0	112.4	K205 I206 R207 R211 T212 P215 R219	K205-E209 WeakPolarHBondContact O-CB 3.41Å; K205-E209 PolarHBondContact O-N 3.03Å; I206-E209 PolarHBondContact O-N 3.41Å; R207-E209 VanDerWaalsContact C-N 3.34Å; E209-R211 VanDerWaalsContact C-N 3.27Å; E209-R211 PolarHBondContact O-N 2.95Å; E209-T212 WeakPolarHBondContact O-CG2 3.38Å; E209-P215 HydrophobicContact CG-CB 4.28Å; E209-R219 IonicContact OE1-CZ 3.85Å; E209-R219 IonicContact OE1-NE 3.4Å; E209-R219 PolarHBondContact OE1-NE 3.31Å; E209-R219 IonicContact OE1-NH2 3.4Å; E209-R219 PolarHBondContact OE1-NH2 3.45Å
210	N	89.1	Confident	90	Very high	126 Å²	126	68.2 Å²	68.2	67%	0.674	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	178.2	-68.8	-11.7	0	0	0	114.4	I206 R207 V208	I206-N210 WeakPolarHBondContact O-CB 3.45Å; I206-N210 PolarHBondContact O-N 3.29Å; I206-N210 PolarHBondContact O-ND2 2.97Å; I206-N210 PolarHBondContact O-OD1 3.48Å; R207-N210 PolarHBondContact O-N 3.36Å; V208-N210 VanDerWaalsContact C-N 3.31Å; V208-N210 PolarHBondContact O-N 2.97Å
211	R	88.5	Confident	89.7	Confident	110 Å²	110	72 Å²	72	42%	0.415	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-21.3	-179.5	-71.1	-162.1	-169.9	-158.2	-5.6	114.1	N82 S84 R207 V208 E209	N82-R211 PolarHBondContact O-NH2 2.98Å; S84-R211 PolarHBondContact OG-NH1 2.74Å; R207-R211 WeakPolarHBondContact O-CG 3.39Å; R207-R211 PolarHBondContact O-N 2.98Å; V208-R211 PolarHBondContact O-N 3.48Å; V208-R211 VanDerWaalsContact O-N 3.08Å; E209-R211 VanDerWaalsContact C-N 3.27Å; E209-R211 PolarHBondContact O-N 2.95Å
212	T	87.8	Confident	89.6	Confident	49 Å²	49	72.4 Å²	72.4	30%	0.301	34%	0.341	S	S	.	.			trans	-70.2	144.5	178.7	-176.7	0	0	0	0	110.6	V208 E209 F214 P215 W218	V208-T212 WeakPolarHBondContact O-CG2 3.33Å; V208-T212 PolarHBondContact O-N 3.47Å; E209-T212 WeakPolarHBondContact O-CG2 3.38Å; T212-F214 PolarHBondContact O-N 3.27Å; T212-F214 PolarHBondContact OG1-N 3.01Å; T212-F214 VanDerWaalsContact OG1-N 3.14Å; T212-P215 HydrophobicContact CG2-CB 4.31Å; T212-W218 HydrophobicContact CG2-CB 4.21Å
213	I	85.9	Confident	89.4	Confident	144 Å²	144	66 Å²	66	74%	0.738	32%	0.319	S	S	*	.	S	Bend	trans	-72.3	-22.1	172.4	-56.7	162.9	0	0	0	110	P215	I213-P215 VanDerWaalsContact C-CD 3.47Å; I213-P215 VanDerWaalsContact O-CD 3.28Å; I213-P215 WeakPolarHBondContact O-CD 3.26Å
214	F	84.4	Confident	89.1	Confident	130 Å²	130	68.4 Å²	68.4	57%	0.57	33%	0.332	S	S	*	.			trans	-121.3	70.3	-174.7	-51.9	-68	0	0	0	112	T212 N216 L217 W218	T212-F214 PolarHBondContact O-N 3.27Å; T212-F214 PolarHBondContact OG1-N 3.01Å; T212-F214 VanDerWaalsContact OG1-N 3.14Å; F214-N216 VanDerWaalsContact C-N 3.31Å; F214-N216 PolarHBondContact O-N 3.32Å; F214-L217 HydrophobicContact CB-CB 3.93Å; F214-L217 HydrophobicContact CB-CD2 4.42Å; F214-L217 PolarHBondContact O-N 2.89Å; F214-W218 PolarHBondContact O-N 2.71Å; F214-W218 VanDerWaalsContact O-N 3.16Å
215	P	85.9	Confident	89	Confident	46 Å²	46	69.7 Å²	69.7	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-36.8	-176.5	23.9	-34	0	0	0	112.8	E209 T212 I213 W218 R219	E209-P215 HydrophobicContact CG-CB 4.28Å; T212-P215 HydrophobicContact CG2-CB 4.31Å; I213-P215 VanDerWaalsContact C-CD 3.47Å; I213-P215 VanDerWaalsContact O-CD 3.28Å; I213-P215 WeakPolarHBondContact O-CD 3.26Å; P215-W218 WeakPolarHBondContact O-CB 3.31Å; P215-W218 PolarHBondContact O-N 3.07Å; P215-R219 WeakPolarHBondContact O-CG 3.49Å; P215-R219 PolarHBondContact O-N 3.07Å
216	N	84.2	Confident	88.9	Confident	33 Å²	33	69.9 Å²	69.9	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-39.3	178.9	-71.6	-24	0	0	0	112.8	F214 W218 R219 V220 I330	F214-N216 VanDerWaalsContact C-N 3.31Å; F214-N216 PolarHBondContact O-N 3.32Å; N216-W218 VanDerWaalsContact C-N 3.32Å; N216-R219 PolarHBondContact O-N 3.4Å; N216-V220 WeakPolarHBondContact O-CG2 3.39Å; N216-V220 PolarHBondContact O-N 3.33Å; N216-I330 HydrophobicContact CB-CG2 3.69Å
217	L	84.6	Confident	88.8	Confident	97 Å²	97	67.9 Å²	67.9	51%	0.508	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-43.6	173.9	178	61.5	0	0	0	110.6	F214 R219 V220 L221	F214-L217 HydrophobicContact CB-CB 3.93Å; F214-L217 HydrophobicContact CB-CD2 4.42Å; F214-L217 PolarHBondContact O-N 2.89Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.87Å; L217-V220 PolarHBondContact O-N 3.35Å; L217-L221 HydrophobicContact CD1-CD1 4.34Å; L217-L221 HydrophobicContact CD1-CG 4.27Å; L217-L221 HydrophobicContact CG-CD1 4.11Å; L217-L221 HydrophobicContact CG-CG 4.46Å; L217-L221 WeakPolarHBondContact O-CG 3.21Å; L217-L221 PolarHBondContact O-N 3.36Å
218	W	88.9	Confident	88.8	Confident	47 Å²	47	70.2 Å²	70.2	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-41.1	175.5	-179	-112	0	0	0	112.6	W204 K205 V208 T212 F214 P215 N216 N222	W204-W218 AromaticContact CH2-CH2 3.47Å; W204-W218 HydrophobicContact CH2-CH2 3.47Å; W204-W218 VanDerWaalsContact CH2-CH2 3.47Å; W204-W218 AromaticContact CH2-CZ2 3.77Å; W204-W218 HydrophobicContact CH2-CZ2 3.77Å; W204-W218 AromaticContact CZ2-CH2 3.81Å; W204-W218 HydrophobicContact CZ2-CH2 3.81Å; W204-W218 HydrophobicContact CZ2-CZ2 4.18Å; W204-W218 HydrophobicContact CZ3-CH2 4.16Å; W204-W218 HydrophobicContact CZ3-CZ2 4.01Å; K205-W218 PolarHBondContact O-NE1 3.17Å; V208-W218 HydrophobicContact CB-CH2 4.46Å; V208-W218 HydrophobicContact CB-CZ2 3.85Å; V208-W218 HydrophobicContact CG1-CD2 3.88Å; V208-W218 HydrophobicContact CG1-CE3 4.1Å; V208-W218 HydrophobicContact CG1-CH2 3.83Å; V208-W218 HydrophobicContact CG1-CZ2 3.58Å; V208-W218 HydrophobicContact CG1-CZ3 4.08Å; V208-W218 HydrophobicContact CG2-CZ2 4.38Å; T212-W218 HydrophobicContact CG2-CB 4.21Å; F214-W218 PolarHBondContact O-N 2.71Å; F214-W218 VanDerWaalsContact O-N 3.16Å; P215-W218 WeakPolarHBondContact O-CB 3.31Å; P215-W218 PolarHBondContact O-N 3.07Å; N216-W218 VanDerWaalsContact C-N 3.32Å; W218-N222 VanDerWaalsContact CD1-ND2 3.35Å; W218-N222 PolarHBondContact NE1-ND2 3.02Å; W218-N222 WeakPolarHBondContact O-CB 3.44Å; W218-N222 PolarHBondContact O-N 2.89Å; W218-N222 PolarHBondContact O-ND2 3.06Å
219	R	88	Confident	88.9	Confident	95 Å²	95	70.1 Å²	70.1	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-47.9	174.9	-70.4	170.8	-177.2	178.5	-0.1	111.7	E209 P215 N216 L217 N222 L223 I330	E209-R219 IonicContact OE1-CZ 3.85Å; E209-R219 IonicContact OE1-NE 3.4Å; E209-R219 PolarHBondContact OE1-NE 3.31Å; E209-R219 IonicContact OE1-NH2 3.4Å; E209-R219 PolarHBondContact OE1-NH2 3.45Å; P215-R219 WeakPolarHBondContact O-CG 3.49Å; P215-R219 PolarHBondContact O-N 3.07Å; N216-R219 PolarHBondContact O-N 3.4Å; L217-R219 VanDerWaalsContact C-N 3.32Å; L217-R219 PolarHBondContact O-N 2.87Å; R219-N222 PolarHBondContact O-N 3.42Å; R219-L223 WeakPolarHBondContact O-CG 3.5Å; R219-L223 PolarHBondContact O-N 3Å; R219-I330 HydrophobicContact CB-CD1 3.66Å; R219-I330 HydrophobicContact CB-CG1 4.47Å
220	V	86.9	Confident	89	Confident	42 Å²	42	69.2 Å²	69.2	26%	0.255	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-46.9	178.7	173.5	0	0	0	0	111.5	N216 L217 N222 L223 I224 I330	N216-V220 WeakPolarHBondContact O-CG2 3.39Å; N216-V220 PolarHBondContact O-N 3.33Å; L217-V220 PolarHBondContact O-N 3.35Å; V220-N222 VanDerWaalsContact C-N 3.3Å; V220-N222 PolarHBondContact O-N 3.31Å; V220-L223 WeakPolarHBondContact O-CB 3.38Å; V220-L223 PolarHBondContact O-N 2.96Å; V220-L223 VanDerWaalsContact O-N 3.1Å; V220-I224 HydrophobicContact CG1-CD1 3.85Å; V220-I224 HydrophobicContact CG1-CG1 4.44Å; V220-I224 WeakPolarHBondContact O-CG1 3.45Å; V220-I224 PolarHBondContact O-N 3.19Å; V220-I330 HydrophobicContact CG2-CD1 4.01Å; V220-I330 HydrophobicContact CG2-CG2 4.35Å
221	L	89.3	Confident	89.3	Confident	89 Å²	89	63.4 Å²	63.4	47%	0.466	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-39.6	178.1	-70.1	174.5	0	0	0	112.4	L217 I224 H225	L217-L221 HydrophobicContact CD1-CD1 4.34Å; L217-L221 HydrophobicContact CD1-CG 4.27Å; L217-L221 HydrophobicContact CG-CD1 4.11Å; L217-L221 HydrophobicContact CG-CG 4.46Å; L217-L221 WeakPolarHBondContact O-CG 3.21Å; L217-L221 PolarHBondContact O-N 3.36Å; L221-I224 PolarHBondContact O-N 3.44Å; L221-H225 WeakPolarHBondContact O-CB 3.44Å; L221-H225 PolarHBondContact O-N 3.29Å
222	N	91.4	Very high	89.6	Confident	20 Å²	20	58.6 Å²	58.6	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-36.9	175	-76.3	-57.4	0	0	0	112.6	W218 R219 V220 H225 I226	W218-N222 VanDerWaalsContact CD1-ND2 3.35Å; W218-N222 PolarHBondContact NE1-ND2 3.02Å; W218-N222 WeakPolarHBondContact O-CB 3.44Å; W218-N222 PolarHBondContact O-N 2.89Å; W218-N222 PolarHBondContact O-ND2 3.06Å; R219-N222 PolarHBondContact O-N 3.42Å; V220-N222 VanDerWaalsContact C-N 3.3Å; V220-N222 PolarHBondContact O-N 3.31Å; N222-H225 PolarHBondContact O-N 3.49Å; N222-I226 WeakPolarHBondContact O-CD1 3.31Å; N222-I226 VanDerWaalsContact O-CG1 3.24Å; N222-I226 WeakPolarHBondContact O-CG1 3.32Å; N222-I226 PolarHBondContact O-N 2.89Å
223	L	90.1	Very high	90	Very high	29 Å²	29	58.3 Å²	58.3	15%	0.152	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-44.3	176.1	-70.3	169.5	0	0	0	111.3	R219 V220 H225 I226 L227 Q326 V327 I330	R219-L223 WeakPolarHBondContact O-CG 3.5Å; R219-L223 PolarHBondContact O-N 3Å; V220-L223 WeakPolarHBondContact O-CB 3.38Å; V220-L223 PolarHBondContact O-N 2.96Å; V220-L223 VanDerWaalsContact O-N 3.1Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 3.14Å; L223-I226 PolarHBondContact O-N 3.45Å; L223-L227 PolarHBondContact O-N 3.33Å; L223-Q326 HydrophobicContact CD1-CB 3.61Å; L223-Q326 HydrophobicContact CD2-CB 4.18Å; L223-Q326 HydrophobicContact CD2-CG 4.34Å; L223-V327 HydrophobicContact CD1-CG2 4.26Å; L223-I330 HydrophobicContact CD1-CD1 4Å
224	I	90.1	Very high	90.4	Very high	79 Å²	79	53 Å²	53	41%	0.405	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-45.1	174.9	-65.8	168.7	0	0	0	110.1	V220 L221 I226 L227 F228	V220-I224 HydrophobicContact CG1-CD1 3.85Å; V220-I224 HydrophobicContact CG1-CG1 4.44Å; V220-I224 WeakPolarHBondContact O-CG1 3.45Å; V220-I224 PolarHBondContact O-N 3.19Å; L221-I224 PolarHBondContact O-N 3.44Å; I224-I226 PolarHBondContact O-N 3.41Å; I224-L227 WeakPolarHBondContact O-CB 3.48Å; I224-L227 PolarHBondContact O-N 3.41Å; I224-F228 HydrophobicContact CG2-CD2 3.75Å; I224-F228 HydrophobicContact CG2-CE2 3.74Å; I224-F228 VanDerWaalsContact O-CD2 3.27Å; I224-F228 WeakPolarHBondContact O-CD2 3.32Å; I224-F228 PolarHBondContact O-N 3.02Å
225	H	92.8	Very high	90.9	Very high	60 Å²	60	46.8 Å²	46.8	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-43.8	177	175	-110.7	0	0	0	112.7	L98 W102 L221 N222 L223 L227 F228 L229	L98-H225 VanDerWaalsContact CD2-CE1 3.42Å; L98-H225 WeakPolarHBondContact CD2-CE1 3.3Å; W102-H225 AromaticContact CE2-NE2 3.93Å; W102-H225 AromaticContact NE1-NE2 3.24Å; W102-H225 PolarHBondContact NE1-NE2 3.46Å; L221-H225 WeakPolarHBondContact O-CB 3.44Å; L221-H225 PolarHBondContact O-N 3.29Å; N222-H225 PolarHBondContact O-N 3.49Å; L223-H225 VanDerWaalsContact C-N 3.33Å; L223-H225 PolarHBondContact O-N 3.14Å; H225-L227 VanDerWaalsContact C-N 3.33Å; H225-L227 PolarHBondContact O-N 3.08Å; H225-F228 PolarHBondContact O-N 3.36Å; H225-L229 VanDerWaalsContact O-CB 3.29Å; H225-L229 WeakPolarHBondContact O-CB 3.31Å; H225-L229 PolarHBondContact O-N 3.43Å
226	I	91.4	Very high	91.4	Very high	77 Å²	77	44.6 Å²	44.6	40%	0.395	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-41.9	175.7	-70.7	164.8	0	0	0	110.9	N222 L223 I224 L229 G230	N222-I226 WeakPolarHBondContact O-CD1 3.31Å; N222-I226 VanDerWaalsContact O-CG1 3.24Å; N222-I226 WeakPolarHBondContact O-CG1 3.32Å; N222-I226 PolarHBondContact O-N 2.89Å; L223-I226 PolarHBondContact O-N 3.45Å; I224-I226 PolarHBondContact O-N 3.41Å; I226-L229 PolarHBondContact O-N 2.91Å; I226-G230 PolarHBondContact O-N 3.25Å
227	L	90.1	Very high	91.9	Very high	32 Å²	32	47.1 Å²	47.1	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-49.4	176.7	178.8	60	0	0	0	111.9	L223 I224 H225 L229 G230 C231 I323	L223-L227 PolarHBondContact O-N 3.33Å; I224-L227 WeakPolarHBondContact O-CB 3.48Å; I224-L227 PolarHBondContact O-N 3.41Å; H225-L227 VanDerWaalsContact C-N 3.33Å; H225-L227 PolarHBondContact O-N 3.08Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.45Å; L227-G230 PolarHBondContact O-N 2.95Å; L227-G230 VanDerWaalsContact O-N 3.14Å; L227-C231 PolarHBondContact O-N 3.39Å; L227-C231 PolarHBondContact O-SG 3.1Å; L227-I323 HydrophobicContact CB-CD1 3.74Å; L227-I323 HydrophobicContact CD1-CD1 3.79Å; L227-I323 HydrophobicContact CD2-CD1 4.38Å; L227-I323 HydrophobicContact CG-CD1 4.16Å
228	F	93.2	Very high	92.3	Very high	106 Å²	106	43 Å²	43	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-40.7	179.4	-91.1	-110.7	0	0	0	111.6	W102 I224 H225 C231 H232 F272	W102-F228 HydrophobicContact CH2-CB 4.05Å; W102-F228 HydrophobicContact CZ2-CB 4.37Å; I224-F228 HydrophobicContact CG2-CD2 3.75Å; I224-F228 HydrophobicContact CG2-CE2 3.74Å; I224-F228 VanDerWaalsContact O-CD2 3.27Å; I224-F228 WeakPolarHBondContact O-CD2 3.32Å; I224-F228 PolarHBondContact O-N 3.02Å; H225-F228 PolarHBondContact O-N 3.36Å; F228-C231 PolarHBondContact O-N 3.42Å; F228-H232 VanDerWaalsContact O-CB 3.31Å; F228-H232 WeakPolarHBondContact O-CB 3.49Å; F228-H232 PolarHBondContact O-N 3.01Å; F228-F272 HydrophobicContact CD1-CZ 4.2Å
229	L	93.8	Very high	92.6	Very high	24 Å²	24	42 Å²	42	13%	0.126	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-42.6	173.7	179.5	70.6	0	0	0	111.3	L101 W102 H225 I226 L227 H232 W233	L101-L229 HydrophobicContact CD1-CD2 4.2Å; L101-L229 HydrophobicContact CD2-CD1 4.27Å; L101-L229 HydrophobicContact CD2-CD2 3.32Å; L101-L229 HydrophobicContact CD2-CG 4.44Å; L101-L229 HydrophobicContact CG-CD1 3.8Å; L101-L229 HydrophobicContact CG-CD2 3.62Å; L101-L229 HydrophobicContact CG-CG 4.32Å; W102-L229 HydrophobicContact CD2-CD1 4Å; W102-L229 HydrophobicContact CG-CD1 4.08Å; W102-L229 HydrophobicContact CZ2-CB 3.96Å; W102-L229 HydrophobicContact CZ2-CD1 4.16Å; H225-L229 VanDerWaalsContact O-CB 3.29Å; H225-L229 WeakPolarHBondContact O-CB 3.31Å; H225-L229 PolarHBondContact O-N 3.43Å; I226-L229 PolarHBondContact O-N 2.91Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.45Å; L229-H232 WeakPolarHBondContact O-CB 3.28Å; L229-H232 PolarHBondContact O-N 3.31Å; L229-W233 VanDerWaalsContact O-CD1 3.22Å; L229-W233 PolarHBondContact O-N 3.04Å
230	G	92.9	Very high	92.9	Very high	18 Å²	18	39.6 Å²	39.6	19%	0.186	20%	0.197	C	C	.	.	H	α-helix	trans	-57.3	-51.9	174.1	0	0	0	0	0	111.6	I226 L227 H232 W233 F234	I226-G230 PolarHBondContact O-N 3.25Å; L227-G230 PolarHBondContact O-N 2.95Å; L227-G230 VanDerWaalsContact O-N 3.14Å; G230-H232 VanDerWaalsContact C-N 3.26Å; G230-H232 PolarHBondContact O-N 3.31Å; G230-W233 PolarHBondContact O-N 3.3Å; G230-F234 WeakPolarHBondContact O-CD2 3.41Å; G230-F234 PolarHBondContact O-N 3.39Å
231	C	94.6	Very high	93.2	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-56.4	-42.4	176.3	-62.4	0	0	0	0	111.6	L227 F228 A235 F272 A275 L279	L227-C231 PolarHBondContact O-N 3.39Å; L227-C231 PolarHBondContact O-SG 3.1Å; F228-C231 PolarHBondContact O-N 3.42Å; C231-A235 WeakPolarHBondContact O-CB 3.43Å; C231-A235 PolarHBondContact O-N 2.94Å; C231-F272 HydrophobicContact CB-CD2 4.17Å; C231-F272 HydrophobicContact CB-CE1 4.24Å; C231-F272 HydrophobicContact CB-CE2 3.53Å; C231-F272 HydrophobicContact CB-CZ 3.57Å; C231-A275 VanDerWaalsContact O-CB 3.24Å; C231-A275 WeakPolarHBondContact O-CB 3.43Å; C231-L279 HydrophobicContact CB-CD1 4.28Å
232	H	95.9	Very high	93.3	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-61.1	-46	177.5	-178.8	75.6	0	0	0	113	W102 F228 L229 G230 A235 A236 Y268 F272	W102-H232 HydrophobicContact CE3-CB 4.15Å; W102-H232 AromaticContact CE3-CD2 3.76Å; W102-H232 AromaticContact CE3-CG 3.65Å; W102-H232 AromaticContact CE3-ND1 3.84Å; W102-H232 HydrophobicContact CH2-CB 4.19Å; W102-H232 HydrophobicContact CZ3-CB 3.7Å; W102-H232 AromaticContact CZ3-CG 3.62Å; W102-H232 AromaticContact CZ3-ND1 3.8Å; W102-H232 PolarHBondContact O-NE2 2.97Å; F228-H232 VanDerWaalsContact O-CB 3.31Å; F228-H232 WeakPolarHBondContact O-CB 3.49Å; F228-H232 PolarHBondContact O-N 3.01Å; L229-H232 WeakPolarHBondContact O-CB 3.28Å; L229-H232 PolarHBondContact O-N 3.31Å; G230-H232 VanDerWaalsContact C-N 3.26Å; G230-H232 PolarHBondContact O-N 3.31Å; H232-A235 PolarHBondContact O-N 2.98Å; H232-A236 WeakPolarHBondContact O-CB 3.37Å; H232-A236 PolarHBondContact O-N 2.89Å; H232-A236 VanDerWaalsContact O-N 3.09Å; H232-Y268 AromaticContact CE1-CE2 3.72Å; H232-Y268 AromaticContact ND1-CE2 3.39Å; H232-Y268 WeakPolarHBondContact ND1-CE2 3.35Å; H232-Y268 AromaticContact ND1-CZ 3.6Å; H232-Y268 PolarHBondContact ND1-OH 2.85Å; H232-F272 HydrophobicContact CB-CE2 4.27Å
233	W	95.4	Very high	93.2	Very high	43 Å²	43	37.8 Å²	37.8	16%	0.163	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-45.6	178.3	-84.6	66.2	0	0	0	112.2	L101 I105 M189 F192 F195 L229 G230 A235 A236 F237	L101-W233 HydrophobicContact CD1-CZ2 3.98Å; L101-W233 PolarHBondContact O-NE1 3.36Å; I105-W233 HydrophobicContact CB-CD2 4.38Å; I105-W233 HydrophobicContact CB-CZ2 4.37Å; I105-W233 HydrophobicContact CD1-CE3 4.45Å; I105-W233 HydrophobicContact CG1-CD2 4.22Å; I105-W233 HydrophobicContact CG1-CE3 4.12Å; I105-W233 HydrophobicContact CG1-CZ3 4.46Å; I105-W233 HydrophobicContact CG2-CD2 4.13Å; I105-W233 HydrophobicContact CG2-CG 4.3Å; I105-W233 HydrophobicContact CG2-CZ2 4.28Å; M189-W233 HydrophobicContact CE-CH2 4.13Å; M189-W233 HydrophobicContact CE-CZ3 4.02Å; F192-W233 HydrophobicContact CE2-CH2 4.23Å; F195-W233 AromaticContact CE2-CH2 3.9Å; F195-W233 HydrophobicContact CE2-CH2 3.9Å; F195-W233 HydrophobicContact CE2-CZ2 4.11Å; F195-W233 HydrophobicContact CZ-CH2 4.07Å; F195-W233 AromaticContact CZ-CZ2 3.79Å; F195-W233 HydrophobicContact CZ-CZ2 3.79Å; L229-W233 VanDerWaalsContact O-CD1 3.22Å; L229-W233 PolarHBondContact O-N 3.04Å; G230-W233 PolarHBondContact O-N 3.3Å; W233-A235 VanDerWaalsContact C-N 3.33Å; W233-A235 PolarHBondContact O-N 3.39Å; W233-A236 PolarHBondContact O-N 3.12Å; W233-F237 AromaticContact CE3-CE2 3.83Å; W233-F237 HydrophobicContact CE3-CE2 3.83Å; W233-F237 HydrophobicContact CE3-CZ 4.29Å; W233-F237 HydrophobicContact CZ3-CE2 4.45Å; W233-F237 HydrophobicContact CZ3-CZ 4.5Å; W233-F237 WeakPolarHBondContact O-CD2 3.46Å; W233-F237 PolarHBondContact O-N 3.46Å
234	F	94.2	Very high	93.3	Very high	33 Å²	33	45.1 Å²	45.1	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-35.5	177.3	-85.6	-86.5	0	0	0	112.4	G230 F237 Y238 A275 L279 F308 S312 T315	G230-F234 WeakPolarHBondContact O-CD2 3.41Å; G230-F234 PolarHBondContact O-N 3.39Å; F234-F237 PolarHBondContact O-N 2.93Å; F234-Y238 VanDerWaalsContact O-CB 3.25Å; F234-Y238 WeakPolarHBondContact O-CB 3.5Å; F234-Y238 PolarHBondContact O-N 3.18Å; F234-A275 HydrophobicContact CB-CB 3.88Å; F234-L279 HydrophobicContact CB-CD1 3.78Å; F234-L279 HydrophobicContact CD2-CD1 3.76Å; F234-L279 HydrophobicContact CD2-CD2 4.02Å; F234-L279 HydrophobicContact CD2-CG 4.25Å; F234-L279 HydrophobicContact CE2-CD2 4.12Å; F234-L279 HydrophobicContact CG-CD1 3.9Å; F234-L279 HydrophobicContact CG-CG 4.48Å; F234-F308 HydrophobicContact CD1-CE2 4.49Å; F234-F308 HydrophobicContact CD1-CZ 4.46Å; F234-S312 WeakPolarHBondContact CD1-OG 3.35Å; F234-S312 VanDerWaalsContact CE1-OG 3.3Å; F234-S312 WeakPolarHBondContact CE1-OG 3.16Å; F234-T315 HydrophobicContact CE2-CG2 3.88Å; F234-T315 HydrophobicContact CZ-CG2 3.69Å
235	A	95.8	Very high	93.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-44.8	173.6	0	0	0	0	0	111.7	C231 H232 W233 Y238 Y239 S271 F272 A275	C231-A235 WeakPolarHBondContact O-CB 3.43Å; C231-A235 PolarHBondContact O-N 2.94Å; H232-A235 PolarHBondContact O-N 2.98Å; W233-A235 VanDerWaalsContact C-N 3.33Å; W233-A235 PolarHBondContact O-N 3.39Å; A235-Y238 PolarHBondContact O-N 3.38Å; A235-Y239 PolarHBondContact O-N 3.07Å; A235-S271 VanDerWaalsContact CB-C 3.49Å; A235-S271 WeakPolarHBondContact CB-O 3.47Å; A235-S271 WeakPolarHBondContact O-CB 3.41Å; A235-F272 HydrophobicContact CB-CB 4.28Å; A235-F272 HydrophobicContact CB-CD2 4.47Å; A235-A275 HydrophobicContact CB-CB 3.94Å
236	A	96.1	Very high	92.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-42.8	177.2	0	0	0	0	0	111.8	I105 A109 F110 H232 W233 Y239 L240	I105-A236 HydrophobicContact CD1-CB 4.31Å; I105-A236 HydrophobicContact CG1-CB 3.62Å; A109-A236 HydrophobicContact CB-CB 3.69Å; F110-A236 HydrophobicContact CE2-CB 4.47Å; H232-A236 WeakPolarHBondContact O-CB 3.37Å; H232-A236 PolarHBondContact O-N 2.89Å; H232-A236 VanDerWaalsContact O-N 3.09Å; W233-A236 PolarHBondContact O-N 3.12Å; A236-Y239 PolarHBondContact O-N 3Å; A236-L240 WeakPolarHBondContact O-CB 3.4Å; A236-L240 VanDerWaalsContact O-CG 3.32Å; A236-L240 WeakPolarHBondContact O-CG 3.45Å; A236-L240 PolarHBondContact O-N 3.13Å
237	F	94.6	Very high	92.6	Very high	85 Å²	85	41.5 Å²	41.5	37%	0.373	20%	0.199	S	C	.	.	H	α-helix	trans	-64.3	-42.1	174.4	-78.9	-57.8	0	0	0	112.9	I105 W233 F234 Y239 L240 L241 F308	I105-F237 HydrophobicContact CD1-CE1 4.41Å; I105-F237 HydrophobicContact CD1-CZ 4.36Å; W233-F237 AromaticContact CE3-CE2 3.83Å; W233-F237 HydrophobicContact CE3-CE2 3.83Å; W233-F237 HydrophobicContact CE3-CZ 4.29Å; W233-F237 HydrophobicContact CZ3-CE2 4.45Å; W233-F237 HydrophobicContact CZ3-CZ 4.5Å; W233-F237 WeakPolarHBondContact O-CD2 3.46Å; W233-F237 PolarHBondContact O-N 3.46Å; F234-F237 PolarHBondContact O-N 2.93Å; F237-Y239 VanDerWaalsContact C-N 3.31Å; F237-Y239 PolarHBondContact O-N 3.4Å; F237-L240 HydrophobicContact CD1-CD1 4.48Å; F237-L240 PolarHBondContact O-N 3.45Å; F237-L241 VanDerWaalsContact O-CB 3.31Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 2.69Å; F237-F308 HydrophobicContact CB-CE2 3.8Å; F237-F308 HydrophobicContact CB-CZ 4.02Å
238	Y	93.7	Very high	92.2	Very high	12 Å²	12	47.1 Å²	47.1	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-55.8	-47.1	175.1	167.6	-104.5	0	0	0	111.2	F234 A235 S242 W251 G252 Y253 W274	F234-Y238 VanDerWaalsContact O-CB 3.25Å; F234-Y238 WeakPolarHBondContact O-CB 3.5Å; F234-Y238 PolarHBondContact O-N 3.18Å; A235-Y238 PolarHBondContact O-N 3.38Å; Y238-S242 WeakPolarHBondContact O-CB 3.39Å; Y238-S242 PolarHBondContact O-N 2.84Å; Y238-S242 PolarHBondContact O-OG 3.36Å; Y238-W251 WeakPolarHBondContact CE2-O 3.48Å; Y238-G252 PolarHBondContact OH-O 2.99Å; Y238-G252 VanDerWaalsContact OH-O 3.13Å; Y238-Y253 HydrophobicContact CE1-CD2 4.32Å; Y238-Y253 WeakPolarHBondContact OH-CA 3.32Å; Y238-Y253 PolarHBondContact OH-N 3.31Å; Y238-Y253 VanDerWaalsContact OH-N 3.13Å; Y238-W274 HydrophobicContact CD1-CB 4.4Å; Y238-W274 HydrophobicContact CD1-CD2 4.38Å; Y238-W274 HydrophobicContact CD1-CE3 4.33Å; Y238-W274 HydrophobicContact CD1-CG 4.41Å; Y238-W274 AromaticContact CD2-CD2 3.45Å; Y238-W274 HydrophobicContact CD2-CD2 3.45Å; Y238-W274 VanDerWaalsContact CD2-CD2 3.45Å; Y238-W274 AromaticContact CD2-CE2 3.64Å; Y238-W274 AromaticContact CD2-CE3 3.6Å; Y238-W274 HydrophobicContact CD2-CE3 3.6Å; Y238-W274 AromaticContact CD2-CG 3.99Å; Y238-W274 HydrophobicContact CD2-CG 3.99Å; Y238-W274 HydrophobicContact CD2-CH2 4.14Å; Y238-W274 AromaticContact CD2-CZ2 3.98Å; Y238-W274 HydrophobicContact CD2-CZ2 3.98Å; Y238-W274 AromaticContact CD2-CZ3 3.95Å; Y238-W274 HydrophobicContact CD2-CZ3 3.95Å; Y238-W274 HydrophobicContact CE1-CB 4.16Å; Y238-W274 HydrophobicContact CE1-CG 4.22Å; Y238-W274 AromaticContact CE2-CD1 3.81Å; Y238-W274 AromaticContact CE2-CD2 3.71Å; Y238-W274 HydrophobicContact CE2-CD2 3.71Å; Y238-W274 AromaticContact CE2-CE2 3.74Å; Y238-W274 HydrophobicContact CE2-CE3 4.32Å; Y238-W274 AromaticContact CE2-CG 3.79Å; Y238-W274 HydrophobicContact CE2-CG 3.79Å; Y238-W274 HydrophobicContact CE2-CZ2 4.39Å; Y238-W274 AromaticContact CE2-NE1 3.75Å; Y238-W274 AromaticContact CG-CD2 3.82Å; Y238-W274 HydrophobicContact CG-CD2 3.82Å; Y238-W274 AromaticContact CG-CE3 3.59Å; Y238-W274 HydrophobicContact CG-CE3 3.59Å; Y238-W274 HydrophobicContact CG-CG 4.29Å; Y238-W274 HydrophobicContact CG-CZ3 4.08Å; Y238-W274 AromaticContact CZ-CG 3.9Å
239	Y	94.7	Very high	91.6	Very high	24 Å²	24	42.5 Å²	42.5	9%	0.094	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-44.6	176.5	-174.2	-104.6	0	0	0	112.6	A109 F110 A235 A236 F237 L241 S242 K243 F247 Y253 I267	A109-Y239 HydrophobicContact CB-CD1 4.34Å; A109-Y239 VanDerWaalsContact O-CD1 3.25Å; A109-Y239 WeakPolarHBondContact O-CD1 3.12Å; A109-Y239 WeakPolarHBondContact O-CE1 3.28Å; F110-Y239 AromaticContact CD1-CD1 3.88Å; F110-Y239 HydrophobicContact CD1-CD1 3.88Å; F110-Y239 HydrophobicContact CD1-CE1 4.08Å; F110-Y239 HydrophobicContact CD1-CG 4.25Å; F110-Y239 AromaticContact CE1-CD1 3.84Å; F110-Y239 HydrophobicContact CE1-CD1 3.84Å; F110-Y239 HydrophobicContact CE1-CD2 4.31Å; F110-Y239 HydrophobicContact CE1-CE1 4.42Å; F110-Y239 AromaticContact CE1-CG 3.76Å; F110-Y239 HydrophobicContact CE1-CG 3.76Å; A235-Y239 PolarHBondContact O-N 3.07Å; A236-Y239 PolarHBondContact O-N 3Å; F237-Y239 VanDerWaalsContact C-N 3.31Å; F237-Y239 PolarHBondContact O-N 3.4Å; Y239-L241 PolarHBondContact O-N 3.47Å; Y239-S242 PolarHBondContact O-N 3.14Å; Y239-K243 WeakPolarHBondContact O-CB 3.43Å; Y239-K243 PolarHBondContact O-N 3.45Å; Y239-F247 HydrophobicContact CE2-CE1 4.05Å; Y239-F247 HydrophobicContact CE2-CZ 4.26Å; Y239-Y253 HydrophobicContact CD2-CD1 4.26Å; Y239-Y253 HydrophobicContact CD2-CD2 4.33Å; Y239-Y253 HydrophobicContact CD2-CG 4.03Å; Y239-Y253 HydrophobicContact CE2-CD1 4.02Å; Y239-Y253 HydrophobicContact CE2-CE1 4.31Å; Y239-Y253 HydrophobicContact CE2-CG 4.26Å; Y239-I267 HydrophobicContact CD2-CG2 3.6Å; Y239-I267 HydrophobicContact CE2-CG2 3.29Å; Y239-I267 HydrophobicContact CG-CG2 4.41Å
240	L	94.1	Very high	90.9	Very high	46 Å²	46	44 Å²	44	24%	0.241	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-45	178	-81.6	167.9	0	0	0	112.4	I105 Q108 A109 A236 F237 K243 Y244	I105-L240 HydrophobicContact CD1-CD1 4.26Å; Q108-L240 HydrophobicContact CG-CD2 4.46Å; A109-L240 HydrophobicContact CB-CD1 4.02Å; A109-L240 HydrophobicContact CB-CD2 4.29Å; A109-L240 HydrophobicContact CB-CG 3.72Å; A236-L240 WeakPolarHBondContact O-CB 3.4Å; A236-L240 VanDerWaalsContact O-CG 3.32Å; A236-L240 WeakPolarHBondContact O-CG 3.45Å; A236-L240 PolarHBondContact O-N 3.13Å; F237-L240 HydrophobicContact CD1-CD1 4.48Å; F237-L240 PolarHBondContact O-N 3.45Å; L240-K243 PolarHBondContact O-N 3.27Å; L240-Y244 WeakPolarHBondContact O-CB 3.41Å; L240-Y244 PolarHBondContact O-N 3.18Å
241	L	92.2	Very high	90.3	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-42.9	178.9	-176.7	61.9	0	0	0	111.1	F237 Y239 K243 Y244 E245 L304 W305 F308	F237-L241 VanDerWaalsContact O-CB 3.31Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 2.69Å; Y239-L241 PolarHBondContact O-N 3.47Å; L241-K243 VanDerWaalsContact C-N 3.3Å; L241-K243 PolarHBondContact O-N 2.92Å; L241-Y244 WeakPolarHBondContact O-CB 3.34Å; L241-Y244 PolarHBondContact O-N 3.4Å; L241-Y244 VanDerWaalsContact O-N 3.15Å; L241-E245 PolarHBondContact O-N 2.9Å; L241-L304 HydrophobicContact CD1-CD2 3.61Å; L241-L304 HydrophobicContact CD1-CG 3.95Å; L241-W305 HydrophobicContact CD2-CG 4.43Å; L241-F308 HydrophobicContact CD2-CB 3.58Å; L241-F308 HydrophobicContact CD2-CD1 3.52Å; L241-F308 HydrophobicContact CD2-CD2 4.29Å; L241-F308 HydrophobicContact CD2-CE1 4.26Å; L241-F308 HydrophobicContact CD2-CG 3.52Å
242	S	91.4	Very high	89.9	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-41	176.5	-56.1	0	0	0	0	111.7	Y238 Y239 E245 G246 F247 G252 Y253	Y238-S242 WeakPolarHBondContact O-CB 3.39Å; Y238-S242 PolarHBondContact O-N 2.84Å; Y238-S242 PolarHBondContact O-OG 3.36Å; Y239-S242 PolarHBondContact O-N 3.14Å; S242-E245 PolarHBondContact O-N 2.97Å; S242-G246 PolarHBondContact O-N 3.38Å; S242-F247 PolarHBondContact O-N 3.07Å; S242-G252 VanDerWaalsContact OG-CA 3.29Å; S242-G252 WeakPolarHBondContact OG-CA 3.49Å; S242-Y253 PolarHBondContact OG-N 3.23Å
243	K	91.1	Very high	89.5	Confident	87 Å²	87	45.4 Å²	45.4	38%	0.378	21%	0.214	S	C	.	.	H	α-helix	trans	-66.2	-39.9	174.8	-174.6	177.2	-179.5	177.5	0	112	T111 Y239 L240 L241 E245 G246 F247	T111-K243 PolarHBondContact OG1-NZ 2.82Å; Y239-K243 WeakPolarHBondContact O-CB 3.43Å; Y239-K243 PolarHBondContact O-N 3.45Å; L240-K243 PolarHBondContact O-N 3.27Å; L241-K243 VanDerWaalsContact C-N 3.3Å; L241-K243 PolarHBondContact O-N 2.92Å; K243-E245 VanDerWaalsContact C-N 3.32Å; K243-E245 PolarHBondContact O-N 3.31Å; K243-G246 PolarHBondContact O-N 3.47Å; K243-G246 VanDerWaalsContact O-N 3.1Å; K243-F247 HydrophobicContact CB-CE1 4.1Å; K243-F247 HydrophobicContact CB-CZ 3.83Å; K243-F247 HydrophobicContact CG-CE2 4.44Å; K243-F247 HydrophobicContact CG-CZ 4.05Å
244	Y	90.5	Very high	89	Confident	184 Å²	184	48.5 Å²	48.5	72%	0.722	23%	0.23	S	C	*	.	H	α-helix	trans	-62.4	-38.1	177.2	177.2	-98.6	0	0	0	112.3	L240 L241 G246 L304	L240-Y244 WeakPolarHBondContact O-CB 3.41Å; L240-Y244 PolarHBondContact O-N 3.18Å; L241-Y244 WeakPolarHBondContact O-CB 3.34Å; L241-Y244 PolarHBondContact O-N 3.4Å; L241-Y244 VanDerWaalsContact O-N 3.15Å; Y244-G246 PolarHBondContact O-N 2.89Å; Y244-L304 HydrophobicContact CD1-CD2 4.25Å; Y244-L304 HydrophobicContact CE1-CD2 4.06Å
245	E	87.1	Confident	88.5	Confident	34 Å²	34	50 Å²	50	16%	0.159	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.9	175.3	-62	-170.1	159.9	0	0	113.8	L241 S242 K243 F247 N249 S302	L241-E245 PolarHBondContact O-N 2.9Å; S242-E245 PolarHBondContact O-N 2.97Å; K243-E245 VanDerWaalsContact C-N 3.32Å; K243-E245 PolarHBondContact O-N 3.31Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 3.44Å; E245-N249 VanDerWaalsContact OE2-CB 3.28Å; E245-N249 WeakPolarHBondContact OE2-CB 3.5Å; E245-N249 PolarHBondContact OE2-ND2 2.96Å; E245-S302 VanDerWaalsContact OE1-CB 3.23Å; E245-S302 WeakPolarHBondContact OE1-CB 3.24Å; E245-S302 PolarHBondContact OE1-OG 2.68Å
246	G	86.2	Confident	87.6	Confident	43 Å²	43	55.9 Å²	55.9	44%	0.443	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	29.1	180	0	0	0	0	0	113.9	S242 K243 Y244 K248	S242-G246 PolarHBondContact O-N 3.38Å; K243-G246 PolarHBondContact O-N 3.47Å; K243-G246 VanDerWaalsContact O-N 3.1Å; Y244-G246 PolarHBondContact O-N 2.89Å; G246-K248 PolarHBondContact O-N 3.46Å; G246-K248 VanDerWaalsContact O-N 3.1Å
247	F	88.1	Confident	86.1	Confident	63 Å²	63	66.6 Å²	66.6	28%	0.276	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	20.3	178.6	-49.6	-69.6	0	0	0	115.4	Y239 S242 K243 E245 Y253 P255	Y239-F247 HydrophobicContact CE2-CE1 4.05Å; Y239-F247 HydrophobicContact CE2-CZ 4.26Å; S242-F247 PolarHBondContact O-N 3.07Å; K243-F247 HydrophobicContact CB-CE1 4.1Å; K243-F247 HydrophobicContact CB-CZ 3.83Å; K243-F247 HydrophobicContact CG-CE2 4.44Å; K243-F247 HydrophobicContact CG-CZ 4.05Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 3.44Å; F247-Y253 HydrophobicContact CD1-CD1 4.2Å; F247-Y253 WeakPolarHBondContact CD1-O 3.39Å; F247-Y253 HydrophobicContact CE1-CD1 4.04Å; F247-P255 HydrophobicContact CB-CG 4.02Å; F247-P255 HydrophobicContact CD2-CG 4.19Å; F247-P255 HydrophobicContact CG-CG 4.02Å
248	K	81.6	Confident	84.3	Confident	150 Å²	150	67.9 Å²	67.9	65%	0.652	32%	0.323	S	S	*	.			trans	-78.1	-30.5	179.7	-58.7	-174.9	179.2	-169.1	0	113	G246	G246-K248 PolarHBondContact O-N 3.46Å; G246-K248 VanDerWaalsContact O-N 3.1Å
249	N	79.2	Confident	82.4	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.043	35%	0.346	C	S	.	.	S	Bend	trans	-71.8	124.2	-174.9	-169.2	-34.6	0	0	0	110.4	E245 W251 G252 W305	E245-N249 VanDerWaalsContact OE2-CB 3.28Å; E245-N249 WeakPolarHBondContact OE2-CB 3.5Å; E245-N249 PolarHBondContact OE2-ND2 2.96Å; N249-W251 PolarHBondContact O-N 3.29Å; N249-W251 VanDerWaalsContact O-N 3.13Å; N249-W251 WeakPolarHBondContact OD1-CB 3.27Å; N249-W251 PolarHBondContact OD1-N 3.34Å; N249-G252 PolarHBondContact O-N 2.9Å; N249-W305 VanDerWaalsContact ND2-CB 3.32Å; N249-W305 WeakPolarHBondContact ND2-CB 3.46Å; N249-W305 VanDerWaalsContact ND2-CD1 3.33Å; N249-W305 VanDerWaalsContact ND2-CG 3.27Å
250	P	80	Confident	80.8	Confident	56 Å²	56	80.5 Å²	80.5	36%	0.364	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.6	-179	25.5	-35.4	0	0	0	113.2
251	W	80.4	Confident	79.3	Confident	50 Å²	50	83 Å²	83	19%	0.189	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-16.9	178.7	-59.9	-19.3	0	0	0	113.6	Y238 N249 P288 V301 W305 L306	Y238-W251 WeakPolarHBondContact CE2-O 3.48Å; N249-W251 PolarHBondContact O-N 3.29Å; N249-W251 VanDerWaalsContact O-N 3.13Å; N249-W251 WeakPolarHBondContact OD1-CB 3.27Å; N249-W251 PolarHBondContact OD1-N 3.34Å; W251-P288 HydrophobicContact CH2-CB 3.61Å; W251-P288 HydrophobicContact CH2-CG 3.73Å; W251-P288 HydrophobicContact CZ2-CB 4.13Å; W251-P288 HydrophobicContact CZ2-CG 4.38Å; W251-V301 HydrophobicContact CD2-CG1 4.33Å; W251-V301 HydrophobicContact CD2-CG2 4.19Å; W251-V301 HydrophobicContact CE3-CB 4.37Å; W251-V301 HydrophobicContact CE3-CG1 3.39Å; W251-V301 HydrophobicContact CE3-CG2 4.02Å; W251-V301 HydrophobicContact CH2-CG1 4.42Å; W251-V301 HydrophobicContact CZ3-CG1 3.51Å; W251-V301 HydrophobicContact CZ3-CG2 4.36Å; W251-W305 HydrophobicContact CB-CD2 3.94Å; W251-W305 HydrophobicContact CB-CE3 4.02Å; W251-W305 HydrophobicContact CB-CH2 3.27Å; W251-W305 HydrophobicContact CB-CZ2 3.22Å; W251-W305 HydrophobicContact CB-CZ3 3.63Å; W251-W305 AromaticContact CD2-CE3 3.9Å; W251-W305 HydrophobicContact CD2-CE3 3.9Å; W251-W305 HydrophobicContact CD2-CH2 4.02Å; W251-W305 AromaticContact CD2-CZ3 3.5Å; W251-W305 HydrophobicContact CD2-CZ3 3.5Å; W251-W305 VanDerWaalsContact CD2-CZ3 3.5Å; W251-W305 AromaticContact CE3-CD2 3.83Å; W251-W305 HydrophobicContact CE3-CD2 3.83Å; W251-W305 AromaticContact CE3-CE3 2.98Å; W251-W305 HydrophobicContact CE3-CE3 2.98Å; W251-W305 AromaticContact CE3-CH2 3.89Å; W251-W305 HydrophobicContact CE3-CH2 3.89Å; W251-W305 AromaticContact CE3-CZ3 2.94Å; W251-W305 HydrophobicContact CE3-CZ3 2.94Å; W251-W305 HydrophobicContact CG-CE3 4.38Å; W251-W305 AromaticContact CG-CH2 3.92Å; W251-W305 HydrophobicContact CG-CH2 3.92Å; W251-W305 HydrophobicContact CG-CZ2 4.32Å; W251-W305 AromaticContact CG-CZ3 3.9Å; W251-W305 HydrophobicContact CG-CZ3 3.9Å; W251-W305 HydrophobicContact CH2-CZ3 4.45Å; W251-W305 AromaticContact CZ3-CE3 3.54Å; W251-W305 HydrophobicContact CZ3-CE3 3.54Å; W251-W305 AromaticContact CZ3-CZ3 3.47Å; W251-W305 HydrophobicContact CZ3-CZ3 3.47Å; W251-W305 VanDerWaalsContact CZ3-CZ3 3.47Å; W251-W305 WeakPolarHBondContact O-CZ2 3.36Å; W251-L306 HydrophobicContact CZ3-CD1 4.48Å
252	G	85.6	Confident	78.4	Confident	4 Å²	4	84.4 Å²	84.4	4%	0.041	41%	0.408	C	S	.	.	S	Bend	trans	-74.2	-179.8	173.9	0	0	0	0	0	113.1	Y238 S242 N249 Q254	Y238-G252 PolarHBondContact OH-O 2.99Å; Y238-G252 VanDerWaalsContact OH-O 3.13Å; S242-G252 VanDerWaalsContact OG-CA 3.29Å; S242-G252 WeakPolarHBondContact OG-CA 3.49Å; N249-G252 PolarHBondContact O-N 2.9Å; G252-Q254 PolarHBondContact O-N 2.91Å
253	Y	88.4	Confident	78.1	Confident	6 Å²	6	87.7 Å²	87.7	2%	0.024	43%	0.428	C	S	.	.			trans	-63.2	117.7	170.6	-179.2	-87.9	0	0	0	109.1	Y238 Y239 S242 F247 P255 D262 I267 K270	Y238-Y253 HydrophobicContact CE1-CD2 4.32Å; Y238-Y253 WeakPolarHBondContact OH-CA 3.32Å; Y238-Y253 PolarHBondContact OH-N 3.31Å; Y238-Y253 VanDerWaalsContact OH-N 3.13Å; Y239-Y253 HydrophobicContact CD2-CD1 4.26Å; Y239-Y253 HydrophobicContact CD2-CD2 4.33Å; Y239-Y253 HydrophobicContact CD2-CG 4.03Å; Y239-Y253 HydrophobicContact CE2-CD1 4.02Å; Y239-Y253 HydrophobicContact CE2-CE1 4.31Å; Y239-Y253 HydrophobicContact CE2-CG 4.26Å; S242-Y253 PolarHBondContact OG-N 3.23Å; F247-Y253 HydrophobicContact CD1-CD1 4.2Å; F247-Y253 WeakPolarHBondContact CD1-O 3.39Å; F247-Y253 HydrophobicContact CE1-CD1 4.04Å; Y253-P255 HydrophobicContact CE1-CB 4.08Å; Y253-P255 WeakPolarHBondContact O-CD 3.27Å; Y253-D262 PolarHBondContact OH-OD2 3.48Å; Y253-I267 HydrophobicContact CD2-CG2 4.48Å; Y253-I267 HydrophobicContact CE1-CG2 4.38Å; Y253-I267 HydrophobicContact CE2-CB 4.39Å; Y253-I267 HydrophobicContact CE2-CG2 3.87Å; Y253-K270 HydrophobicContact CD2-CD 4.11Å; Y253-K270 HydrophobicContact CD2-CG 4.34Å; Y253-K270 HydrophobicContact CE2-CB 4.09Å; Y253-K270 HydrophobicContact CE2-CD 3.62Å; Y253-K270 HydrophobicContact CE2-CG 4.07Å
254	Q	85.1	Confident	78	Confident	108 Å²	108	85.4 Å²	85.4	51%	0.505	42%	0.42	S	S	.	.			trans	-93.2	113.2	171.7	-66.8	-177.6	-27.5	0	0	109.9	G252 K270	G252-Q254 PolarHBondContact O-N 2.91Å; Q254-K270 PolarHBondContact O-NZ 3.36Å
255	P	82.9	Confident	78	Confident	65 Å²	65	80.3 Å²	80.3	42%	0.422	41%	0.411	S	S	.	.			trans	-68.7	142.6	170.6	28.9	-32.3	0	0	0	109.7	F247 Y253 Y257	F247-P255 HydrophobicContact CB-CG 4.02Å; F247-P255 HydrophobicContact CD2-CG 4.19Å; F247-P255 HydrophobicContact CG-CG 4.02Å; Y253-P255 HydrophobicContact CE1-CB 4.08Å; Y253-P255 WeakPolarHBondContact O-CD 3.27Å; P255-Y257 PolarHBondContact O-N 3.08Å
256	H	76.7	Confident	78.1	Confident	124 Å²	124	86.3 Å²	86.3	57%	0.574	43%	0.432	S	S	*	.			trans	-79.8	114.3	176.2	-155	62.2	0	0	0	109	N258	H256-N258 PolarHBondContact CD2-O 3.29Å; H256-N258 PolarHBondContact O-N 3.32Å
257	Y	64.4	Low	78.4	Confident	224 Å²	224	84.9 Å²	84.9	88%	0.878	41%	0.414	S	S	*	.	S	Bend	trans	-58.6	-34	-176	-175.6	-100.3	0	0	0	112.7	P255	P255-Y257 PolarHBondContact O-N 3.08Å
258	N	56.2	Low	78.7	Confident	112 Å²	112	84.6 Å²	84.6	60%	0.599	41%	0.412	S	S	*	.	S	Bend	trans	-109.3	81.6	178.6	-70	-13.7	0	0	0	110.1	H256	H256-N258 PolarHBondContact CD2-O 3.29Å; H256-N258 PolarHBondContact O-N 3.32Å
259	N	53.8	Low	79.3	Confident	97 Å²	97	82.4 Å²	82.4	52%	0.519	41%	0.406	S	S	.	.			trans	177.9	127.9	146.6	-89.7	-23.6	0	0	0	111.1	N261	N259-N261 HydrophobicContact CB-CB 4Å; N259-N261 PolarHBondContact O-N 2.84Å
260	E	62.9	Low	79.9	Confident	205 Å²	205	86.5 Å²	86.5	96%	0.958	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	5.4	161.4	-59.4	174.7	167.8	0	0	113.3
261	N	62.1	Low	80.6	Confident	99 Å²	99	83.8 Å²	83.8	53%	0.529	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.6	-171.9	-63.8	-31.5	0	0	0	114.8	N259 T263	N259-N261 HydrophobicContact CB-CB 4Å; N259-N261 PolarHBondContact O-N 2.84Å; N261-T263 PolarHBondContact O-N 2.86Å
262	D	72.6	Confident	81.3	Confident	52 Å²	52	83.1 Å²	83.1	28%	0.278	41%	0.405	S	S	.	.			trans	-72.5	73.6	172.5	-92.2	6.9	0	0	0	109.9	Y253 I267	Y253-D262 PolarHBondContact OH-OD2 3.48Å; D262-I267 HydrophobicContact CB-CG1 4.44Å
263	T	86.2	Confident	81.6	Confident	71 Å²	71	90.2 Å²	90.2	44%	0.436	43%	0.431	S	S	.	.			trans	-57.8	145.2	171.6	59.9	0	0	0	0	109.8	N261 S265 R266 I267	N261-T263 PolarHBondContact O-N 2.86Å; T263-S265 PolarHBondContact O-N 2.92Å; T263-R266 WeakPolarHBondContact O-CA 3.5Å; T263-R266 WeakPolarHBondContact O-CB 3.37Å; T263-R266 PolarHBondContact O-N 2.98Å; T263-R266 VanDerWaalsContact OG1-CG 3.3Å; T263-R266 WeakPolarHBondContact OG1-CG 3.43Å; T263-R266 PolarHBondContact OG1-N 2.87Å; T263-I267 PolarHBondContact O-N 3.23Å
264	I	88.4	Confident	81.7	Confident	39 Å²	39	90.8 Å²	90.8	20%	0.2	43%	0.434	C	S	.	.	H	α-helix	trans	-46.7	-40	174.9	-59	166.8	0	0	0	111.6	F110 E112 L113 R266 I267 Y268	F110-I264 HydrophobicContact CB-CG2 4.47Å; E112-I264 HydrophobicContact CB-CD1 3.57Å; E112-I264 HydrophobicContact CB-CG1 3.81Å; E112-I264 WeakPolarHBondContact OE2-CG1 3.34Å; L113-I264 HydrophobicContact CB-CG2 4.43Å; I264-R266 PolarHBondContact O-N 2.78Å; I264-I267 PolarHBondContact O-N 3.24Å; I264-Y268 WeakPolarHBondContact O-CB 3.47Å; I264-Y268 PolarHBondContact O-N 3.45Å
265	S	89.5	Confident	82.1	Confident	77 Å²	77	85.7 Å²	85.7	54%	0.538	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-41.4	177.3	-54.7	0	0	0	0	113	T263 L269	T263-S265 PolarHBondContact O-N 2.92Å; S265-L269 VanDerWaalsContact O-CB 3.27Å; S265-L269 WeakPolarHBondContact O-CB 3.3Å; S265-L269 WeakPolarHBondContact O-CG 3.39Å; S265-L269 PolarHBondContact O-N 3.49Å
266	R	90.6	Very high	82.5	Confident	159 Å²	159	84.6 Å²	84.6	60%	0.6	40%	0.402	S	S	*	.	H	α-helix	trans	-66.4	-43	177.2	-75.7	178.1	-170.3	-74.8	-1	111.7	T263 I264 L269 K270	T263-R266 WeakPolarHBondContact O-CA 3.5Å; T263-R266 WeakPolarHBondContact O-CB 3.37Å; T263-R266 PolarHBondContact O-N 2.98Å; T263-R266 VanDerWaalsContact OG1-CG 3.3Å; T263-R266 WeakPolarHBondContact OG1-CG 3.43Å; T263-R266 PolarHBondContact OG1-N 2.87Å; I264-R266 PolarHBondContact O-N 2.78Å; R266-L269 PolarHBondContact O-N 2.75Å; R266-K270 WeakPolarHBondContact O-CB 3.42Å; R266-K270 PolarHBondContact O-N 3.03Å
267	I	92.2	Very high	83.2	Confident	13 Å²	13	80.3 Å²	80.3	7%	0.067	38%	0.383	C	S	.	.	H	α-helix	trans	-58.5	-52.9	176.5	-55	179.2	0	0	0	109.2	F110 Y239 Y253 D262 T263 I264 L269 K270 S271	F110-I267 HydrophobicContact CD1-CG2 4.14Å; F110-I267 HydrophobicContact CE1-CG2 3.97Å; Y239-I267 HydrophobicContact CD2-CG2 3.6Å; Y239-I267 HydrophobicContact CE2-CG2 3.29Å; Y239-I267 HydrophobicContact CG-CG2 4.41Å; Y253-I267 HydrophobicContact CD2-CG2 4.48Å; Y253-I267 HydrophobicContact CE1-CG2 4.38Å; Y253-I267 HydrophobicContact CE2-CB 4.39Å; Y253-I267 HydrophobicContact CE2-CG2 3.87Å; D262-I267 HydrophobicContact CB-CG1 4.44Å; T263-I267 PolarHBondContact O-N 3.23Å; I264-I267 PolarHBondContact O-N 3.24Å; I267-L269 PolarHBondContact O-N 3.15Å; I267-K270 PolarHBondContact O-N 2.9Å; I267-S271 PolarHBondContact O-N 2.87Å; I267-S271 PolarHBondContact O-OG 2.76Å; I267-S271 VanDerWaalsContact O-OG 3.12Å
268	Y	94.7	Very high	84.3	Confident	58 Å²	58	69.7 Å²	69.7	23%	0.227	34%	0.341	C	S	.	.	H	α-helix	trans	-56.5	-49	177.2	173.4	-100.3	0	0	0	112.3	F110 H232 I264 K270 S271 F272	F110-Y268 HydrophobicContact CD2-CD2 4.26Å; F110-Y268 AromaticContact CE2-CD2 3.55Å; F110-Y268 HydrophobicContact CE2-CD2 3.55Å; F110-Y268 HydrophobicContact CE2-CE2 4.28Å; F110-Y268 AromaticContact CZ-CD2 3.77Å; F110-Y268 HydrophobicContact CZ-CD2 3.77Å; H232-Y268 AromaticContact CE1-CE2 3.72Å; H232-Y268 AromaticContact ND1-CE2 3.39Å; H232-Y268 WeakPolarHBondContact ND1-CE2 3.35Å; H232-Y268 AromaticContact ND1-CZ 3.6Å; H232-Y268 PolarHBondContact ND1-OH 2.85Å; I264-Y268 WeakPolarHBondContact O-CB 3.47Å; I264-Y268 PolarHBondContact O-N 3.45Å; Y268-K270 PolarHBondContact O-N 3.37Å; Y268-S271 PolarHBondContact O-N 3.15Å; Y268-F272 HydrophobicContact CE1-CB 4.4Å; Y268-F272 HydrophobicContact CE1-CD2 4.38Å; Y268-F272 AromaticContact CZ-CD2 3.87Å; Y268-F272 VanDerWaalsContact O-CB 3.27Å; Y268-F272 WeakPolarHBondContact O-CB 3.34Å; Y268-F272 PolarHBondContact O-N 3.41Å; Y268-F272 WeakPolarHBondContact OH-CD2 3.37Å
269	L	93.9	Very high	85.8	Confident	104 Å²	104	64.4 Å²	64.4	55%	0.545	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-37.9	-177.6	-73.1	171.6	0	0	0	112.4	S265 R266 I267 F272 Y273	S265-L269 VanDerWaalsContact O-CB 3.27Å; S265-L269 WeakPolarHBondContact O-CB 3.3Å; S265-L269 WeakPolarHBondContact O-CG 3.39Å; S265-L269 PolarHBondContact O-N 3.49Å; R266-L269 PolarHBondContact O-N 2.75Å; I267-L269 PolarHBondContact O-N 3.15Å; L269-F272 PolarHBondContact O-N 3.14Å; L269-Y273 VanDerWaalsContact O-CB 3.28Å; L269-Y273 WeakPolarHBondContact O-CB 3.45Å; L269-Y273 PolarHBondContact O-N 3.27Å
270	K	91.9	Very high	87.5	Confident	93 Å²	93	60.5 Å²	60.5	40%	0.404	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-42.7	175	-176.7	173.1	172.5	-170.9	0	111	Y253 Q254 R266 I267 Y268 Y273 W274	Y253-K270 HydrophobicContact CD2-CD 4.11Å; Y253-K270 HydrophobicContact CD2-CG 4.34Å; Y253-K270 HydrophobicContact CE2-CB 4.09Å; Y253-K270 HydrophobicContact CE2-CD 3.62Å; Y253-K270 HydrophobicContact CE2-CG 4.07Å; Q254-K270 PolarHBondContact O-NZ 3.36Å; R266-K270 WeakPolarHBondContact O-CB 3.42Å; R266-K270 PolarHBondContact O-N 3.03Å; I267-K270 PolarHBondContact O-N 2.9Å; Y268-K270 PolarHBondContact O-N 3.37Å; K270-Y273 PolarHBondContact O-N 3.37Å; K270-W274 PolarHBondContact O-N 3.01Å
271	S	94	Very high	88.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-39.4	173.6	-60.1	0	0	0	0	112.5	A235 I267 Y268 W274 A275	A235-S271 VanDerWaalsContact CB-C 3.49Å; A235-S271 WeakPolarHBondContact CB-O 3.47Å; A235-S271 WeakPolarHBondContact O-CB 3.41Å; I267-S271 PolarHBondContact O-N 2.87Å; I267-S271 PolarHBondContact O-OG 2.76Å; I267-S271 VanDerWaalsContact O-OG 3.12Å; Y268-S271 PolarHBondContact O-N 3.15Å; S271-W274 PolarHBondContact O-N 3.34Å; S271-A275 WeakPolarHBondContact O-CB 3.31Å; S271-A275 PolarHBondContact O-N 3.04Å
272	F	94.9	Very high	89.6	Confident	36 Å²	36	55.6 Å²	55.6	16%	0.158	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-37.9	177.3	-167.8	-87.6	0	0	0	111.9	F228 C231 H232 A235 Y268 L269 A275 T276	F228-F272 HydrophobicContact CD1-CZ 4.2Å; C231-F272 HydrophobicContact CB-CD2 4.17Å; C231-F272 HydrophobicContact CB-CE1 4.24Å; C231-F272 HydrophobicContact CB-CE2 3.53Å; C231-F272 HydrophobicContact CB-CZ 3.57Å; H232-F272 HydrophobicContact CB-CE2 4.27Å; A235-F272 HydrophobicContact CB-CB 4.28Å; A235-F272 HydrophobicContact CB-CD2 4.47Å; Y268-F272 HydrophobicContact CE1-CB 4.4Å; Y268-F272 HydrophobicContact CE1-CD2 4.38Å; Y268-F272 AromaticContact CZ-CD2 3.87Å; Y268-F272 VanDerWaalsContact O-CB 3.27Å; Y268-F272 WeakPolarHBondContact O-CB 3.34Å; Y268-F272 PolarHBondContact O-N 3.41Å; Y268-F272 WeakPolarHBondContact OH-CD2 3.37Å; L269-F272 PolarHBondContact O-N 3.14Å; F272-A275 PolarHBondContact O-N 2.92Å; F272-T276 WeakPolarHBondContact CE1-OG1 3.41Å; F272-T276 WeakPolarHBondContact O-CB 3.34Å; F272-T276 PolarHBondContact O-N 3.05Å; F272-T276 PolarHBondContact O-OG1 3.08Å
273	Y	92.5	Very high	89.6	Confident	152 Å²	152	54.2 Å²	54.2	60%	0.596	27%	0.272	S	S	*	.	H	α-helix	trans	-61.3	-49.4	173.1	176.7	-106.2	0	0	0	111.2	L269 K270 A275 T276 L277	L269-Y273 VanDerWaalsContact O-CB 3.28Å; L269-Y273 WeakPolarHBondContact O-CB 3.45Å; L269-Y273 PolarHBondContact O-N 3.27Å; K270-Y273 PolarHBondContact O-N 3.37Å; Y273-A275 VanDerWaalsContact C-N 3.35Å; Y273-A275 PolarHBondContact O-N 3.28Å; Y273-T276 PolarHBondContact O-N 3.3Å; Y273-L277 HydrophobicContact CD1-CD1 3.97Å; Y273-L277 HydrophobicContact CE1-CD1 3.37Å; Y273-L277 HydrophobicContact CE1-CG 4.21Å; Y273-L277 HydrophobicContact CE2-CD1 4.15Å; Y273-L277 HydrophobicContact CE2-CD2 4.34Å; Y273-L277 HydrophobicContact CE2-CG 4.18Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.48Å; Y273-L277 WeakPolarHBondContact O-CG 3.35Å; Y273-L277 PolarHBondContact O-N 3.45Å
274	W	90.8	Very high	88.6	Confident	19 Å²	19	58.7 Å²	58.7	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-49.3	174.4	-179.7	91.1	0	0	0	111.5	Y238 K270 S271 T276 L277 T278 W305 F308	Y238-W274 HydrophobicContact CD1-CB 4.4Å; Y238-W274 HydrophobicContact CD1-CD2 4.38Å; Y238-W274 HydrophobicContact CD1-CE3 4.33Å; Y238-W274 HydrophobicContact CD1-CG 4.41Å; Y238-W274 AromaticContact CD2-CD2 3.45Å; Y238-W274 HydrophobicContact CD2-CD2 3.45Å; Y238-W274 VanDerWaalsContact CD2-CD2 3.45Å; Y238-W274 AromaticContact CD2-CE2 3.64Å; Y238-W274 AromaticContact CD2-CE3 3.6Å; Y238-W274 HydrophobicContact CD2-CE3 3.6Å; Y238-W274 AromaticContact CD2-CG 3.99Å; Y238-W274 HydrophobicContact CD2-CG 3.99Å; Y238-W274 HydrophobicContact CD2-CH2 4.14Å; Y238-W274 AromaticContact CD2-CZ2 3.98Å; Y238-W274 HydrophobicContact CD2-CZ2 3.98Å; Y238-W274 AromaticContact CD2-CZ3 3.95Å; Y238-W274 HydrophobicContact CD2-CZ3 3.95Å; Y238-W274 HydrophobicContact CE1-CB 4.16Å; Y238-W274 HydrophobicContact CE1-CG 4.22Å; Y238-W274 AromaticContact CE2-CD1 3.81Å; Y238-W274 AromaticContact CE2-CD2 3.71Å; Y238-W274 HydrophobicContact CE2-CD2 3.71Å; Y238-W274 AromaticContact CE2-CE2 3.74Å; Y238-W274 HydrophobicContact CE2-CE3 4.32Å; Y238-W274 AromaticContact CE2-CG 3.79Å; Y238-W274 HydrophobicContact CE2-CG 3.79Å; Y238-W274 HydrophobicContact CE2-CZ2 4.39Å; Y238-W274 AromaticContact CE2-NE1 3.75Å; Y238-W274 AromaticContact CG-CD2 3.82Å; Y238-W274 HydrophobicContact CG-CD2 3.82Å; Y238-W274 AromaticContact CG-CE3 3.59Å; Y238-W274 HydrophobicContact CG-CE3 3.59Å; Y238-W274 HydrophobicContact CG-CG 4.29Å; Y238-W274 HydrophobicContact CG-CZ3 4.08Å; Y238-W274 AromaticContact CZ-CG 3.9Å; K270-W274 PolarHBondContact O-N 3.01Å; S271-W274 PolarHBondContact O-N 3.34Å; W274-T276 VanDerWaalsContact C-N 3.32Å; W274-T276 PolarHBondContact O-N 3.16Å; W274-L277 PolarHBondContact O-N 2.95Å; W274-T278 HydrophobicContact CH2-CG2 4.13Å; W274-T278 HydrophobicContact CZ2-CG2 4.48Å; W274-T278 HydrophobicContact CZ3-CG2 4.48Å; W274-T278 WeakPolarHBondContact O-CB 3.46Å; W274-T278 PolarHBondContact O-N 3.46Å; W274-T278 PolarHBondContact O-OG1 3.43Å; W274-W305 HydrophobicContact CZ2-CH2 4.38Å; W274-W305 HydrophobicContact CZ2-CZ2 4.23Å; W274-F308 HydrophobicContact CH2-CD1 4.38Å; W274-F308 AromaticContact CH2-CE1 3.5Å; W274-F308 HydrophobicContact CH2-CE1 3.5Å; W274-F308 VanDerWaalsContact CH2-CE1 3.5Å; W274-F308 HydrophobicContact CH2-CZ 4.07Å; W274-F308 HydrophobicContact CZ2-CE1 4.34Å; W274-F308 AromaticContact CZ3-CE1 3.97Å; W274-F308 HydrophobicContact CZ3-CE1 3.97Å; W274-F308 HydrophobicContact CZ3-CZ 4.16Å
275	A	93	Very high	87.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-41.7	179.3	0	0	0	0	0	111.9	C231 F234 A235 S271 F272 Y273 T278 L279	C231-A275 VanDerWaalsContact O-CB 3.24Å; C231-A275 WeakPolarHBondContact O-CB 3.43Å; F234-A275 HydrophobicContact CB-CB 3.88Å; A235-A275 HydrophobicContact CB-CB 3.94Å; S271-A275 WeakPolarHBondContact O-CB 3.31Å; S271-A275 PolarHBondContact O-N 3.04Å; F272-A275 PolarHBondContact O-N 2.92Å; Y273-A275 VanDerWaalsContact C-N 3.35Å; Y273-A275 PolarHBondContact O-N 3.28Å; A275-T278 PolarHBondContact O-N 3.35Å; A275-L279 HydrophobicContact CB-CD1 4.28Å; A275-L279 VanDerWaalsContact O-CB 3.28Å; A275-L279 WeakPolarHBondContact O-CB 3.32Å; A275-L279 VanDerWaalsContact O-CD1 3.31Å; A275-L279 WeakPolarHBondContact O-CD1 3.48Å; A275-L279 PolarHBondContact O-N 2.94Å
276	T	91.9	Very high	85.8	Confident	43 Å²	43	59.9 Å²	59.9	26%	0.264	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-48.9	177.8	-57.4	0	0	0	0	110.7	F272 Y273 W274 T278 L279 T280	F272-T276 WeakPolarHBondContact CE1-OG1 3.41Å; F272-T276 WeakPolarHBondContact O-CB 3.34Å; F272-T276 PolarHBondContact O-N 3.05Å; F272-T276 PolarHBondContact O-OG1 3.08Å; Y273-T276 PolarHBondContact O-N 3.3Å; W274-T276 VanDerWaalsContact C-N 3.32Å; W274-T276 PolarHBondContact O-N 3.16Å; T276-T278 VanDerWaalsContact C-N 3.33Å; T276-T278 PolarHBondContact O-N 3.28Å; T276-L279 PolarHBondContact O-N 3.33Å; T276-T280 HydrophobicContact CG2-CG2 4.19Å; T276-T280 VanDerWaalsContact O-CB 3.29Å; T276-T280 WeakPolarHBondContact O-CB 3.35Å; T276-T280 VanDerWaalsContact O-CG2 3.3Å; T276-T280 WeakPolarHBondContact O-CG2 3.42Å; T276-T280 PolarHBondContact O-N 2.96Å; T276-T280 PolarHBondContact O-OG1 2.86Å
277	L	90.1	Very high	84.2	Confident	34 Å²	34	55.4 Å²	55.4	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-44.1	177.5	-73	-179.9	0	0	0	112.5	Y273 W274 T281 I282 G283 L285	Y273-L277 HydrophobicContact CD1-CD1 3.97Å; Y273-L277 HydrophobicContact CE1-CD1 3.37Å; Y273-L277 HydrophobicContact CE1-CG 4.21Å; Y273-L277 HydrophobicContact CE2-CD1 4.15Å; Y273-L277 HydrophobicContact CE2-CD2 4.34Å; Y273-L277 HydrophobicContact CE2-CG 4.18Å; Y273-L277 VanDerWaalsContact CZ-CD1 3.48Å; Y273-L277 WeakPolarHBondContact O-CG 3.35Å; Y273-L277 PolarHBondContact O-N 3.45Å; W274-L277 PolarHBondContact O-N 2.95Å; L277-T281 PolarHBondContact O-N 3.42Å; L277-T281 VanDerWaalsContact O-N 3.13Å; L277-I282 HydrophobicContact CD2-CB 4.36Å; L277-I282 HydrophobicContact CD2-CG2 4.27Å; L277-I282 PolarHBondContact O-N 2.99Å; L277-G283 PolarHBondContact O-N 2.97Å; L277-L285 HydrophobicContact CB-CD1 4.44Å
278	T	88.1	Confident	82.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-48	179.4	-61.1	0	0	0	0	112	W274 A275 T276 T281 Y313	W274-T278 HydrophobicContact CH2-CG2 4.13Å; W274-T278 HydrophobicContact CZ2-CG2 4.48Å; W274-T278 HydrophobicContact CZ3-CG2 4.48Å; W274-T278 WeakPolarHBondContact O-CB 3.46Å; W274-T278 PolarHBondContact O-N 3.46Å; W274-T278 PolarHBondContact O-OG1 3.43Å; A275-T278 PolarHBondContact O-N 3.35Å; T276-T278 VanDerWaalsContact C-N 3.33Å; T276-T278 PolarHBondContact O-N 3.28Å; T278-T281 PolarHBondContact O-N 3.45Å; T278-Y313 HydrophobicContact CG2-CD1 3.73Å; T278-Y313 HydrophobicContact CG2-CE1 3.76Å
279	L	88.8	Confident	80.3	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-71.9	-32.6	-177.7	-83.7	141.4	0	0	0	112.9	C231 F234 A275 T276 T281 G316 F320	C231-L279 HydrophobicContact CB-CD1 4.28Å; F234-L279 HydrophobicContact CB-CD1 3.78Å; F234-L279 HydrophobicContact CD2-CD1 3.76Å; F234-L279 HydrophobicContact CD2-CD2 4.02Å; F234-L279 HydrophobicContact CD2-CG 4.25Å; F234-L279 HydrophobicContact CE2-CD2 4.12Å; F234-L279 HydrophobicContact CG-CD1 3.9Å; F234-L279 HydrophobicContact CG-CG 4.48Å; A275-L279 HydrophobicContact CB-CD1 4.28Å; A275-L279 VanDerWaalsContact O-CB 3.28Å; A275-L279 WeakPolarHBondContact O-CB 3.32Å; A275-L279 VanDerWaalsContact O-CD1 3.31Å; A275-L279 WeakPolarHBondContact O-CD1 3.48Å; A275-L279 PolarHBondContact O-N 2.94Å; T276-L279 PolarHBondContact O-N 3.33Å; L279-T281 VanDerWaalsContact C-N 3.33Å; L279-G316 CarbonylContact O-C 3.57Å; L279-F320 WeakPolarHBondContact O-CB 3.14Å
280	T	88.8	Confident	78.2	Confident	15 Å²	15	60.5 Å²	60.5	9%	0.092	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.3	178	60.7	0	0	0	0	113.3	T276 I282 F320	T276-T280 HydrophobicContact CG2-CG2 4.19Å; T276-T280 VanDerWaalsContact O-CB 3.29Å; T276-T280 WeakPolarHBondContact O-CB 3.35Å; T276-T280 VanDerWaalsContact O-CG2 3.3Å; T276-T280 WeakPolarHBondContact O-CG2 3.42Å; T276-T280 PolarHBondContact O-N 2.96Å; T276-T280 PolarHBondContact O-OG1 2.86Å; T280-I282 PolarHBondContact O-N 3.36Å; T280-I282 WeakPolarHBondContact OG1-CD1 3.35Å; T280-I282 WeakPolarHBondContact OG1-CG1 3.46Å; T280-F320 HydrophobicContact CG2-CD2 4.38Å
281	T	84.8	Confident	75.9	Confident	74 Å²	74	59.1 Å²	59.1	45%	0.454	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	21.1	-176.6	66.4	0	0	0	0	114.1	L277 T278 L279 V317	L277-T281 PolarHBondContact O-N 3.42Å; L277-T281 VanDerWaalsContact O-N 3.13Å; T278-T281 PolarHBondContact O-N 3.45Å; L279-T281 VanDerWaalsContact C-N 3.33Å; T281-V317 HydrophobicContact CG2-CG2 3.68Å
282	I	84.5	Confident	73.6	Confident	127 Å²	127	66 Å²	66	65%	0.651	39%	0.385	S	S	*	.			trans	-80.7	-32.3	176.7	-63.9	172.1	0	0	0	110.4	L277 T280 D284	L277-I282 HydrophobicContact CD2-CB 4.36Å; L277-I282 HydrophobicContact CD2-CG2 4.27Å; L277-I282 PolarHBondContact O-N 2.99Å; T280-I282 PolarHBondContact O-N 3.36Å; T280-I282 WeakPolarHBondContact OG1-CD1 3.35Å; T280-I282 WeakPolarHBondContact OG1-CG1 3.46Å; I282-D284 PolarHBondContact O-N 3.46Å
283	G	72.8	Confident	71	Confident	22 Å²	22	69.6 Å²	69.6	23%	0.227	41%	0.406	C	S	.	.			trans	-64	120.6	-172.7	0	0	0	0	0	112.6	L277 L285	L277-G283 PolarHBondContact O-N 2.97Å; G283-L285 PolarHBondContact O-N 3.44Å
284	D	64.1	Low	68.7	Low	166 Å²	166	67.4 Å²	67.4	89%	0.888	41%	0.408	S	S	*	.			trans	-73.4	71.2	158.8	-166.6	13	0	0	0	108	I282	I282-D284 PolarHBondContact O-N 3.46Å
285	L	61.4	Low	66.5	Low	42 Å²	42	74.7 Å²	74.7	22%	0.22	44%	0.443	C	S	.	.			trans	-79.6	123.7	176.7	-76.9	119.1	0	0	0	107.5	L277 G283 A287 Y313	L277-L285 HydrophobicContact CB-CD1 4.44Å; G283-L285 PolarHBondContact O-N 3.44Å; L285-A287 PolarHBondContact O-N 3.48Å; L285-A287 VanDerWaalsContact O-N 3.09Å; L285-Y313 WeakPolarHBondContact CB-OH 3.28Å; L285-Y313 HydrophobicContact CD1-CE1 4.09Å; L285-Y313 WeakPolarHBondContact CD1-OH 3.26Å
286	S	57.9	Low	64.3	Low	98 Å²	98	81.2 Å²	81.2	69%	0.685	48%	0.478	S	S	*	.			trans	-41.7	119.8	178.7	-50.8	0	0	0	0	110.2
287	A	57.6	Low	62.1	Low	65 Å²	65	89.2 Å²	89.2	54%	0.537	51%	0.512	S	S	.	.			trans	-51.9	153.7	175.5	0	0	0	0	0	109.8	L285 T289	L285-A287 PolarHBondContact O-N 3.48Å; L285-A287 VanDerWaalsContact O-N 3.09Å; A287-T289 PolarHBondContact O-N 3.15Å
288	P	52.3	Low	60.4	Low	84 Å²	84	95.5 Å²	95.5	55%	0.545	54%	0.54	S	S	.	.			trans	-51.8	86.2	159.6	-14.1	24.7	0	0	0	109.1	W251 S290 L306	W251-P288 HydrophobicContact CH2-CB 3.61Å; W251-P288 HydrophobicContact CH2-CG 3.73Å; W251-P288 HydrophobicContact CZ2-CB 4.13Å; W251-P288 HydrophobicContact CZ2-CG 4.38Å; P288-S290 PolarHBondContact O-N 3.49Å; P288-L306 HydrophobicContact CG-CD1 4.4Å
289	T	51.5	Low	58.9	Low	76 Å²	76	99.7 Å²	99.7	47%	0.466	56%	0.563	S	S	.	*			trans	-65.7	97.3	161.8	49.7	0	0	0	0	103.7	A287 S291 I292	A287-T289 PolarHBondContact O-N 3.15Å; T289-S291 PolarHBondContact O-N 3.09Å; T289-I292 PolarHBondContact O-N 3.29Å
290	S	51.6	Low	57.6	Low	123 Å²	123	105.1 Å²	105.1	86%	0.86	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	-20.7	162.4	50.6	0	0	0	0	110.9	P288	P288-S290 PolarHBondContact O-N 3.49Å
291	S	42.8	Very low	56.7	Low	63 Å²	63	106.5 Å²	106.5	44%	0.441	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.5	51.3	179.9	60	0	0	0	0	112.6	T289 D293	T289-S291 PolarHBondContact O-N 3.09Å; S291-D293 WeakPolarHBondContact CB-OD2 3.45Å; S291-D293 WeakPolarHBondContact O-CB 3.5Å; S291-D293 PolarHBondContact O-N 2.86Å
292	I	45.5	Very low	56.4	Low	144 Å²	144	104.7 Å²	104.7	74%	0.738	60%	0.599	S	S	*	*				-81.5	51.8	128.9	-119.6	164.5	0	0	0	105	T289	T289-I292 PolarHBondContact O-N 3.29Å
293	D	40.2	Very low	56.4	Low	112 Å²	112	105 Å²	105	60%	0.599	60%	0.602	S	S	*	*				7.4	105.1	98.9	-74.5	-3.9	0	0	0	114.6	S291	S291-D293 WeakPolarHBondContact CB-OD2 3.45Å; S291-D293 WeakPolarHBondContact O-CB 3.5Å; S291-D293 PolarHBondContact O-N 2.86Å
294	V	45.6	Very low	57	Low	107 Å²	107	108 Å²	108	65%	0.648	61%	0.613	S	S	*	*	S	Bend	trans	79.6	77.2	130.8	-173.3	0	0	0	0	115.4
295	H	44.4	Very low	58	Low	171 Å²	171	100.4 Å²	100.4	79%	0.792	57%	0.572	S	S	*	*	S	Bend		-179.3	-10.8	104.9	-99.8	-63	0	0	0	116.1
296	D	46.7	Very low	59.1	Low	138 Å²	138	101.4 Å²	101.4	74%	0.738	58%	0.577	S	S	*	*			trans	-112.2	105.3	174.8	-72.4	-30.4	0	0	0	111.4	E298	D296-E298 PolarHBondContact O-N 3.45Å
297	H	44.8	Very low	60.6	Low	211 Å²	211	100.6 Å²	100.6	98%	0.977	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	7.8	-175.7	-115.4	-73.9	0	0	0	115.9
298	E	55.2	Low	62.1	Low	166 Å²	166	99 Å²	99	78%	0.776	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-13.8	-170.1	-124	-177	160.5	0	0	115.4	D296 S300	D296-E298 PolarHBondContact O-N 3.45Å; E298-S300 PolarHBondContact O-N 2.84Å
299	N	55.6	Low	63.7	Low	88 Å²	88	95.4 Å²	95.4	47%	0.471	53%	0.525	S	S	.	.			trans	-103.6	47.6	-172.5	-68.2	-22	0	0	0	114	V301	N299-V301 PolarHBondContact O-N 3.03Å
300	S	62.7	Low	65.5	Low	115 Å²	115	95.8 Å²	95.8	80%	0.804	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-66.2	122.7	170.8	-173.7	0	0	0	0	110.4	E298 S302	E298-S300 PolarHBondContact O-N 2.84Å; S300-S302 PolarHBondContact O-N 2.94Å
301	V	68.5	Low	67.3	Low	45 Å²	45	93.5 Å²	93.5	27%	0.273	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-64.5	127.4	173.2	175.2	0	0	0	0	108.8	W251 N299	W251-V301 HydrophobicContact CD2-CG1 4.33Å; W251-V301 HydrophobicContact CD2-CG2 4.19Å; W251-V301 HydrophobicContact CE3-CB 4.37Å; W251-V301 HydrophobicContact CE3-CG1 3.39Å; W251-V301 HydrophobicContact CE3-CG2 4.02Å; W251-V301 HydrophobicContact CH2-CG1 4.42Å; W251-V301 HydrophobicContact CZ3-CG1 3.51Å; W251-V301 HydrophobicContact CZ3-CG2 4.36Å; N299-V301 PolarHBondContact O-N 3.03Å
302	S	78.8	Confident	69.5	Low	35 Å²	35	90.5 Å²	90.5	25%	0.245	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-69.2	144.1	178.7	87.8	0	0	0	0	111.7	E245 S300 L304 W305 L306	E245-S302 VanDerWaalsContact OE1-CB 3.23Å; E245-S302 WeakPolarHBondContact OE1-CB 3.24Å; E245-S302 PolarHBondContact OE1-OG 2.68Å; S300-S302 PolarHBondContact O-N 2.94Å; S302-L304 PolarHBondContact O-N 3.2Å; S302-L304 PolarHBondContact OG-N 2.9Å; S302-W305 PolarHBondContact O-N 2.99Å; S302-W305 VanDerWaalsContact O-N 3.13Å; S302-W305 WeakPolarHBondContact OG-CB 3.27Å; S302-W305 PolarHBondContact OG-N 3.26Å; S302-L306 PolarHBondContact O-N 3.02Å; S302-L306 VanDerWaalsContact O-N 3.15Å
303	N	84.2	Confident	71.6	Confident	133 Å²	133	87.3 Å²	87.3	71%	0.711	46%	0.462	S	S	*	.	H	α-helix	trans	-59.7	-28.2	171.5	-70.7	-24	0	0	0	112.3	T307	N303-T307 WeakPolarHBondContact O-CB 3.28Å; N303-T307 PolarHBondContact O-N 3.05Å; N303-T307 PolarHBondContact O-OG1 3.4Å
304	L	85.1	Confident	74	Confident	87 Å²	87	86.6 Å²	86.6	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-64.8	-43.9	176	-179.5	64.6	0	0	0	111	L241 Y244 S302 T307 F308	L241-L304 HydrophobicContact CD1-CD2 3.61Å; L241-L304 HydrophobicContact CD1-CG 3.95Å; Y244-L304 HydrophobicContact CD1-CD2 4.25Å; Y244-L304 HydrophobicContact CE1-CD2 4.06Å; S302-L304 PolarHBondContact O-N 3.2Å; S302-L304 PolarHBondContact OG-N 2.9Å; L304-T307 PolarHBondContact O-N 3.32Å; L304-F308 WeakPolarHBondContact O-CB 3.49Å; L304-F308 PolarHBondContact O-N 2.92Å
305	W	85.2	Confident	76.1	Confident	6 Å²	6	84 Å²	84	2%	0.023	44%	0.442	C	S	.	.	H	α-helix	trans	-66.9	-43.6	178.1	-158.7	104.1	0	0	0	111.2	L241 N249 W251 W274 S302 T307 F308 T309	L241-W305 HydrophobicContact CD2-CG 4.43Å; N249-W305 VanDerWaalsContact ND2-CB 3.32Å; N249-W305 WeakPolarHBondContact ND2-CB 3.46Å; N249-W305 VanDerWaalsContact ND2-CD1 3.33Å; N249-W305 VanDerWaalsContact ND2-CG 3.27Å; W251-W305 HydrophobicContact CB-CD2 3.94Å; W251-W305 HydrophobicContact CB-CE3 4.02Å; W251-W305 HydrophobicContact CB-CH2 3.27Å; W251-W305 HydrophobicContact CB-CZ2 3.22Å; W251-W305 HydrophobicContact CB-CZ3 3.63Å; W251-W305 AromaticContact CD2-CE3 3.9Å; W251-W305 HydrophobicContact CD2-CE3 3.9Å; W251-W305 HydrophobicContact CD2-CH2 4.02Å; W251-W305 AromaticContact CD2-CZ3 3.5Å; W251-W305 HydrophobicContact CD2-CZ3 3.5Å; W251-W305 VanDerWaalsContact CD2-CZ3 3.5Å; W251-W305 AromaticContact CE3-CD2 3.83Å; W251-W305 HydrophobicContact CE3-CD2 3.83Å; W251-W305 AromaticContact CE3-CE3 2.98Å; W251-W305 HydrophobicContact CE3-CE3 2.98Å; W251-W305 AromaticContact CE3-CH2 3.89Å; W251-W305 HydrophobicContact CE3-CH2 3.89Å; W251-W305 AromaticContact CE3-CZ3 2.94Å; W251-W305 HydrophobicContact CE3-CZ3 2.94Å; W251-W305 HydrophobicContact CG-CE3 4.38Å; W251-W305 AromaticContact CG-CH2 3.92Å; W251-W305 HydrophobicContact CG-CH2 3.92Å; W251-W305 HydrophobicContact CG-CZ2 4.32Å; W251-W305 AromaticContact CG-CZ3 3.9Å; W251-W305 HydrophobicContact CG-CZ3 3.9Å; W251-W305 HydrophobicContact CH2-CZ3 4.45Å; W251-W305 AromaticContact CZ3-CE3 3.54Å; W251-W305 HydrophobicContact CZ3-CE3 3.54Å; W251-W305 AromaticContact CZ3-CZ3 3.47Å; W251-W305 HydrophobicContact CZ3-CZ3 3.47Å; W251-W305 VanDerWaalsContact CZ3-CZ3 3.47Å; W251-W305 WeakPolarHBondContact O-CZ2 3.36Å; W274-W305 HydrophobicContact CZ2-CH2 4.38Å; W274-W305 HydrophobicContact CZ2-CZ2 4.23Å; S302-W305 PolarHBondContact O-N 2.99Å; S302-W305 VanDerWaalsContact O-N 3.13Å; S302-W305 WeakPolarHBondContact OG-CB 3.27Å; S302-W305 PolarHBondContact OG-N 3.26Å; W305-T307 VanDerWaalsContact C-N 3.28Å; W305-T307 PolarHBondContact O-N 2.78Å; W305-F308 PolarHBondContact O-N 2.77Å; W305-T309 HydrophobicContact CE3-CG2 4.4Å; W305-T309 HydrophobicContact CH2-CG2 4.06Å; W305-T309 WeakPolarHBondContact CH2-OG1 3.48Å; W305-T309 VanDerWaalsContact CZ3-CB 3.44Å; W305-T309 HydrophobicContact CZ3-CG2 3.65Å; W305-T309 WeakPolarHBondContact CZ3-OG1 3.45Å; W305-T309 WeakPolarHBondContact O-CB 3.47Å; W305-T309 PolarHBondContact O-N 3.15Å; W305-T309 PolarHBondContact O-OG1 2.98Å
306	L	86	Confident	78.2	Confident	63 Å²	63	75.8 Å²	75.8	33%	0.33	41%	0.405	S	S	.	.	H	α-helix	trans	-57.5	-44	174.6	-177.5	62.9	0	0	0	111.1	W251 P288 S302 T309 I310	W251-L306 HydrophobicContact CZ3-CD1 4.48Å; P288-L306 HydrophobicContact CG-CD1 4.4Å; S302-L306 PolarHBondContact O-N 3.02Å; S302-L306 VanDerWaalsContact O-N 3.15Å; L306-T309 PolarHBondContact O-N 3.21Å; L306-I310 HydrophobicContact CD1-CD1 4.15Å; L306-I310 HydrophobicContact CD1-CG1 4.47Å; L306-I310 HydrophobicContact CG-CD1 3.94Å; L306-I310 VanDerWaalsContact O-CG1 3.24Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 2.77Å
307	T	88.4	Confident	80.2	Confident	80 Å²	80	73 Å²	73	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-47.3	176.6	-57	0	0	0	0	111.5	N303 L304 W305 T309 I310 V311	N303-T307 WeakPolarHBondContact O-CB 3.28Å; N303-T307 PolarHBondContact O-N 3.05Å; N303-T307 PolarHBondContact O-OG1 3.4Å; L304-T307 PolarHBondContact O-N 3.32Å; W305-T307 VanDerWaalsContact C-N 3.28Å; W305-T307 PolarHBondContact O-N 2.78Å; T307-T309 VanDerWaalsContact C-N 3.3Å; T307-T309 PolarHBondContact O-N 3.17Å; T307-I310 PolarHBondContact O-N 3.38Å; T307-V311 HydrophobicContact CG2-CG2 4.49Å; T307-V311 WeakPolarHBondContact O-CB 3.48Å; T307-V311 VanDerWaalsContact O-CG2 3.29Å; T307-V311 WeakPolarHBondContact O-CG2 3.37Å; T307-V311 PolarHBondContact O-N 3.48Å
308	F	89	Confident	82.4	Confident	32 Å²	32	69.8 Å²	69.8	14%	0.14	38%	0.376	C	S	.	.	H	α-helix	trans	-58.3	-42.8	177.1	170.4	-107.7	0	0	0	111.8	F234 F237 L241 W274 L304 W305 V311 S312	F234-F308 HydrophobicContact CD1-CE2 4.49Å; F234-F308 HydrophobicContact CD1-CZ 4.46Å; F237-F308 HydrophobicContact CB-CE2 3.8Å; F237-F308 HydrophobicContact CB-CZ 4.02Å; L241-F308 HydrophobicContact CD2-CB 3.58Å; L241-F308 HydrophobicContact CD2-CD1 3.52Å; L241-F308 HydrophobicContact CD2-CD2 4.29Å; L241-F308 HydrophobicContact CD2-CE1 4.26Å; L241-F308 HydrophobicContact CD2-CG 3.52Å; W274-F308 HydrophobicContact CH2-CD1 4.38Å; W274-F308 AromaticContact CH2-CE1 3.5Å; W274-F308 HydrophobicContact CH2-CE1 3.5Å; W274-F308 VanDerWaalsContact CH2-CE1 3.5Å; W274-F308 HydrophobicContact CH2-CZ 4.07Å; W274-F308 HydrophobicContact CZ2-CE1 4.34Å; W274-F308 AromaticContact CZ3-CE1 3.97Å; W274-F308 HydrophobicContact CZ3-CE1 3.97Å; W274-F308 HydrophobicContact CZ3-CZ 4.16Å; L304-F308 WeakPolarHBondContact O-CB 3.49Å; L304-F308 PolarHBondContact O-N 2.92Å; W305-F308 PolarHBondContact O-N 2.77Å; F308-V311 PolarHBondContact O-N 3.07Å; F308-S312 VanDerWaalsContact O-CB 3.28Å; F308-S312 WeakPolarHBondContact O-CB 3.09Å; F308-S312 PolarHBondContact O-N 2.73Å; F308-S312 PolarHBondContact O-OG 2.99Å
309	T	86.6	Confident	83.9	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.055	35%	0.349	C	S	.	.	H	α-helix	trans	-70.6	-40.6	-178.8	-70.2	0	0	0	0	112.2	W305 L306 T307 S312 Y313	W305-T309 HydrophobicContact CE3-CG2 4.4Å; W305-T309 HydrophobicContact CH2-CG2 4.06Å; W305-T309 WeakPolarHBondContact CH2-OG1 3.48Å; W305-T309 VanDerWaalsContact CZ3-CB 3.44Å; W305-T309 HydrophobicContact CZ3-CG2 3.65Å; W305-T309 WeakPolarHBondContact CZ3-OG1 3.45Å; W305-T309 WeakPolarHBondContact O-CB 3.47Å; W305-T309 PolarHBondContact O-N 3.15Å; W305-T309 PolarHBondContact O-OG1 2.98Å; L306-T309 PolarHBondContact O-N 3.21Å; T307-T309 VanDerWaalsContact C-N 3.3Å; T307-T309 PolarHBondContact O-N 3.17Å; T309-S312 PolarHBondContact O-N 3.32Å; T309-Y313 HydrophobicContact CG2-CD2 3.65Å; T309-Y313 HydrophobicContact CG2-CE2 3.2Å; T309-Y313 VanDerWaalsContact O-CD2 3.25Å; T309-Y313 WeakPolarHBondContact O-CD2 3.4Å; T309-Y313 PolarHBondContact O-N 2.84Å
310	I	88.6	Confident	85.4	Confident	84 Å²	84	62.8 Å²	62.8	43%	0.431	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-47.9	171.8	-68.4	165.5	0	0	0	110.6	L306 T307 S312 Y313 L314	L306-I310 HydrophobicContact CD1-CD1 4.15Å; L306-I310 HydrophobicContact CD1-CG1 4.47Å; L306-I310 HydrophobicContact CG-CD1 3.94Å; L306-I310 VanDerWaalsContact O-CG1 3.24Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 2.77Å; T307-I310 PolarHBondContact O-N 3.38Å; I310-S312 VanDerWaalsContact C-N 3.29Å; I310-S312 PolarHBondContact O-N 3.34Å; I310-Y313 PolarHBondContact O-N 3.33Å; I310-L314 HydrophobicContact CG2-CD1 3.92Å; I310-L314 HydrophobicContact CG2-CG 4.41Å; I310-L314 WeakPolarHBondContact O-CB 3.47Å; I310-L314 WeakPolarHBondContact O-CG 3.41Å; I310-L314 PolarHBondContact O-N 3Å
311	V	90.5	Very high	86.7	Confident	75 Å²	75	60 Å²	60	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-39.7	177.7	170.5	0	0	0	0	111.1	T307 F308 T315	T307-V311 HydrophobicContact CG2-CG2 4.49Å; T307-V311 WeakPolarHBondContact O-CB 3.48Å; T307-V311 VanDerWaalsContact O-CG2 3.29Å; T307-V311 WeakPolarHBondContact O-CG2 3.37Å; T307-V311 PolarHBondContact O-N 3.48Å; F308-V311 PolarHBondContact O-N 3.07Å; V311-T315 VanDerWaalsContact O-CB 3.26Å; V311-T315 WeakPolarHBondContact O-CB 3.46Å; V311-T315 PolarHBondContact O-N 3.18Å; V311-T315 PolarHBondContact O-OG1 3.28Å
312	S	88.6	Confident	87.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-43.3	178	-59.1	0	0	0	0	111.9	F234 F308 T309 I310 G316	F234-S312 WeakPolarHBondContact CD1-OG 3.35Å; F234-S312 VanDerWaalsContact CE1-OG 3.3Å; F234-S312 WeakPolarHBondContact CE1-OG 3.16Å; F308-S312 VanDerWaalsContact O-CB 3.28Å; F308-S312 WeakPolarHBondContact O-CB 3.09Å; F308-S312 PolarHBondContact O-N 2.73Å; F308-S312 PolarHBondContact O-OG 2.99Å; T309-S312 PolarHBondContact O-N 3.32Å; I310-S312 VanDerWaalsContact C-N 3.29Å; I310-S312 PolarHBondContact O-N 3.34Å; S312-G316 WeakPolarHBondContact O-CA 3.35Å; S312-G316 PolarHBondContact O-N 2.88Å
313	Y	88.3	Confident	88.1	Confident	76 Å²	76	61.1 Å²	61.1	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-66.9	-45.9	176.2	-73.9	-44.4	0	0	0	112.4	T278 L285 T309 I310 T315 G316 V317	T278-Y313 HydrophobicContact CG2-CD1 3.73Å; T278-Y313 HydrophobicContact CG2-CE1 3.76Å; L285-Y313 WeakPolarHBondContact CB-OH 3.28Å; L285-Y313 HydrophobicContact CD1-CE1 4.09Å; L285-Y313 WeakPolarHBondContact CD1-OH 3.26Å; T309-Y313 HydrophobicContact CG2-CD2 3.65Å; T309-Y313 HydrophobicContact CG2-CE2 3.2Å; T309-Y313 VanDerWaalsContact O-CD2 3.25Å; T309-Y313 WeakPolarHBondContact O-CD2 3.4Å; T309-Y313 PolarHBondContact O-N 2.84Å; I310-Y313 PolarHBondContact O-N 3.33Å; Y313-T315 VanDerWaalsContact C-N 3.33Å; Y313-T315 PolarHBondContact O-N 3.34Å; Y313-G316 PolarHBondContact O-N 3.45Å; Y313-V317 VanDerWaalsContact O-CG2 3.29Å; Y313-V317 WeakPolarHBondContact O-CG2 3.33Å; Y313-V317 PolarHBondContact O-N 3.45Å
314	L	90.7	Very high	88.3	Confident	98 Å²	98	58.7 Å²	58.7	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-48.1	176.6	-72	174.2	0	0	0	110.3	I310 G316 V317 F318	I310-L314 HydrophobicContact CG2-CD1 3.92Å; I310-L314 HydrophobicContact CG2-CG 4.41Å; I310-L314 WeakPolarHBondContact O-CB 3.47Å; I310-L314 WeakPolarHBondContact O-CG 3.41Å; I310-L314 PolarHBondContact O-N 3Å; L314-G316 VanDerWaalsContact C-N 3.32Å; L314-G316 PolarHBondContact O-N 2.84Å; L314-V317 PolarHBondContact O-N 3.42Å; L314-F318 WeakPolarHBondContact O-CD2 3.41Å; L314-F318 PolarHBondContact O-N 3.29Å; L314-F318 VanDerWaalsContact O-N 3.12Å
315	T	89.6	Confident	88.5	Confident	51 Å²	51	56.6 Å²	56.6	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.5	-54.2	0	0	0	0	111.3	F234 V311 Y313 F318 V319	F234-T315 HydrophobicContact CE2-CG2 3.88Å; F234-T315 HydrophobicContact CZ-CG2 3.69Å; V311-T315 VanDerWaalsContact O-CB 3.26Å; V311-T315 WeakPolarHBondContact O-CB 3.46Å; V311-T315 PolarHBondContact O-N 3.18Å; V311-T315 PolarHBondContact O-OG1 3.28Å; Y313-T315 VanDerWaalsContact C-N 3.33Å; Y313-T315 PolarHBondContact O-N 3.34Å; T315-F318 PolarHBondContact O-N 3.11Å; T315-V319 HydrophobicContact CG2-CG2 4.02Å; T315-V319 WeakPolarHBondContact O-CB 3.31Å; T315-V319 WeakPolarHBondContact O-CG2 3.43Å; T315-V319 PolarHBondContact O-N 3.49Å
316	G	89.3	Confident	88.5	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-55.4	176.9	0	0	0	0	0	113	L279 S312 Y313 L314 F318 V319 F320	L279-G316 CarbonylContact O-C 3.57Å; S312-G316 WeakPolarHBondContact O-CA 3.35Å; S312-G316 PolarHBondContact O-N 2.88Å; Y313-G316 PolarHBondContact O-N 3.45Å; L314-G316 VanDerWaalsContact C-N 3.32Å; L314-G316 PolarHBondContact O-N 2.84Å; G316-F318 VanDerWaalsContact C-N 3.3Å; G316-F318 PolarHBondContact O-N 3.03Å; G316-V319 PolarHBondContact O-N 3.09Å; G316-F320 WeakPolarHBondContact O-CB 3.38Å; G316-F320 PolarHBondContact O-N 3.35Å
317	V	89.6	Confident	88.6	Confident	78 Å²	78	60.3 Å²	60.3	47%	0.473	34%	0.339	S	S	.	.	H	α-helix	trans	-54.4	-46.5	177.4	172.6	0	0	0	0	110.7	T281 Y313 L314 A321	T281-V317 HydrophobicContact CG2-CG2 3.68Å; Y313-V317 VanDerWaalsContact O-CG2 3.29Å; Y313-V317 WeakPolarHBondContact O-CG2 3.33Å; Y313-V317 PolarHBondContact O-N 3.45Å; L314-V317 PolarHBondContact O-N 3.42Å; V317-A321 WeakPolarHBondContact O-CB 3.41Å; V317-A321 PolarHBondContact O-N 2.88Å
318	F	90	Very high	88.6	Confident	144 Å²	144	58.1 Å²	58.1	63%	0.632	33%	0.332	S	S	*	.	H	α-helix	trans	-67.1	-46	178.3	-75.9	-64	0	0	0	112.9	L314 T315 G316 T322	L314-F318 WeakPolarHBondContact O-CD2 3.41Å; L314-F318 PolarHBondContact O-N 3.29Å; L314-F318 VanDerWaalsContact O-N 3.12Å; T315-F318 PolarHBondContact O-N 3.11Å; G316-F318 VanDerWaalsContact C-N 3.3Å; G316-F318 PolarHBondContact O-N 3.03Å; F318-T322 WeakPolarHBondContact O-CB 3.5Å; F318-T322 WeakPolarHBondContact O-CG2 3.33Å; F318-T322 PolarHBondContact O-N 3.48Å; F318-T322 PolarHBondContact O-OG1 3.45Å
319	V	86.7	Confident	88.4	Confident	37 Å²	37	60.6 Å²	60.6	22%	0.224	35%	0.347	C	S	.	.	H	α-helix	trans	-65.1	-45.9	-179.1	169.7	0	0	0	0	110.7	T315 G316 T322 I323	T315-V319 HydrophobicContact CG2-CG2 4.02Å; T315-V319 WeakPolarHBondContact O-CB 3.31Å; T315-V319 WeakPolarHBondContact O-CG2 3.43Å; T315-V319 PolarHBondContact O-N 3.49Å; G316-V319 PolarHBondContact O-N 3.09Å; V319-T322 PolarHBondContact O-N 3.26Å; V319-T322 PolarHBondContact O-OG1 3.35Å; V319-I323 HydrophobicContact CG1-CD1 3.77Å; V319-I323 WeakPolarHBondContact O-CD1 3.32Å; V319-I323 VanDerWaalsContact O-CG1 3.25Å; V319-I323 WeakPolarHBondContact O-CG1 3.43Å; V319-I323 PolarHBondContact O-N 2.89Å
320	F	87.1	Confident	88.3	Confident	71 Å²	71	60.8 Å²	60.8	31%	0.311	35%	0.347	S	S	.	.	H	α-helix	trans	-68.1	-45.5	179.6	-176.8	-109.4	0	0	0	112.2	L279 T280 G316 T322 I323 V324	L279-F320 WeakPolarHBondContact O-CB 3.14Å; T280-F320 HydrophobicContact CG2-CD2 4.38Å; G316-F320 WeakPolarHBondContact O-CB 3.38Å; G316-F320 PolarHBondContact O-N 3.35Å; F320-T322 VanDerWaalsContact C-N 3.3Å; F320-T322 PolarHBondContact O-N 3.38Å; F320-I323 PolarHBondContact O-N 2.97Å; F320-I323 VanDerWaalsContact O-N 3.15Å; F320-V324 HydrophobicContact CD1-CG2 4.27Å; F320-V324 HydrophobicContact CD2-CG2 4.32Å; F320-V324 HydrophobicContact CE1-CG2 3.86Å; F320-V324 HydrophobicContact CE2-CG2 3.91Å; F320-V324 HydrophobicContact CG-CG2 4.49Å; F320-V324 HydrophobicContact CZ-CG2 3.66Å; F320-V324 WeakPolarHBondContact O-CG2 3.42Å; F320-V324 PolarHBondContact O-N 3.47Å
321	A	91	Very high	88.1	Confident	56 Å²	56	61.2 Å²	61.2	46%	0.463	35%	0.349	S	S	.	.	H	α-helix	trans	-59.9	-40.3	176.6	0	0	0	0	0	112.1	V317 G325	V317-A321 WeakPolarHBondContact O-CB 3.41Å; V317-A321 PolarHBondContact O-N 2.88Å; A321-G325 PolarHBondContact O-N 3.38Å
322	T	88.4	Confident	87.9	Confident	84 Å²	84	61.1 Å²	61.1	52%	0.515	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-40.8	175.6	54.5	0	0	0	0	112	F318 V319 F320 G325 Q326	F318-T322 WeakPolarHBondContact O-CB 3.5Å; F318-T322 WeakPolarHBondContact O-CG2 3.33Å; F318-T322 PolarHBondContact O-N 3.48Å; F318-T322 PolarHBondContact O-OG1 3.45Å; V319-T322 PolarHBondContact O-N 3.26Å; V319-T322 PolarHBondContact O-OG1 3.35Å; F320-T322 VanDerWaalsContact C-N 3.3Å; F320-T322 PolarHBondContact O-N 3.38Å; T322-G325 PolarHBondContact O-N 3.13Å; T322-Q326 WeakPolarHBondContact O-CB 3.37Å; T322-Q326 WeakPolarHBondContact O-CG 3.38Å; T322-Q326 PolarHBondContact O-N 2.81Å
323	I	87.1	Confident	87.6	Confident	19 Å²	19	64.7 Å²	64.7	10%	0.097	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-50.6	176.3	-68.7	159.4	0	0	0	110.9	L227 V319 F320 G325 Q326 V327	L227-I323 HydrophobicContact CB-CD1 3.74Å; L227-I323 HydrophobicContact CD1-CD1 3.79Å; L227-I323 HydrophobicContact CD2-CD1 4.38Å; L227-I323 HydrophobicContact CG-CD1 4.16Å; V319-I323 HydrophobicContact CG1-CD1 3.77Å; V319-I323 WeakPolarHBondContact O-CD1 3.32Å; V319-I323 VanDerWaalsContact O-CG1 3.25Å; V319-I323 WeakPolarHBondContact O-CG1 3.43Å; V319-I323 PolarHBondContact O-N 2.89Å; F320-I323 PolarHBondContact O-N 2.97Å; F320-I323 VanDerWaalsContact O-N 3.15Å; I323-G325 VanDerWaalsContact C-N 3.33Å; I323-G325 PolarHBondContact O-N 3.5Å; I323-Q326 PolarHBondContact O-N 2.95Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.32Å
324	V	87.8	Confident	87.1	Confident	82 Å²	82	69.8 Å²	69.8	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-59.8	-44.9	179.2	174.6	0	0	0	0	110.7	F320 Q326 V327 G328	F320-V324 HydrophobicContact CD1-CG2 4.27Å; F320-V324 HydrophobicContact CD2-CG2 4.32Å; F320-V324 HydrophobicContact CE1-CG2 3.86Å; F320-V324 HydrophobicContact CE2-CG2 3.91Å; F320-V324 HydrophobicContact CG-CG2 4.49Å; F320-V324 HydrophobicContact CZ-CG2 3.66Å; F320-V324 WeakPolarHBondContact O-CG2 3.42Å; F320-V324 PolarHBondContact O-N 3.47Å; V324-Q326 PolarHBondContact O-N 2.81Å; V324-V327 PolarHBondContact O-N 3.02Å; V324-G328 PolarHBondContact O-N 3.36Å
325	G	89.1	Confident	86.8	Confident	43 Å²	43	68.1 Å²	68.1	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-61.8	-40.5	176.4	0	0	0	0	0	113.4	A321 T322 I323 G328 N329	A321-G325 PolarHBondContact O-N 3.38Å; T322-G325 PolarHBondContact O-N 3.13Å; I323-G325 VanDerWaalsContact C-N 3.33Å; I323-G325 PolarHBondContact O-N 3.5Å; G325-G328 PolarHBondContact O-N 3.29Å; G325-N329 WeakPolarHBondContact O-CB 3.36Å; G325-N329 PolarHBondContact O-N 3.24Å
326	Q	86.8	Confident	86.6	Confident	97 Å²	97	67.8 Å²	67.8	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-68.5	-41.7	176.7	-70.3	-64.8	-46.2	0	0	112.2	L223 T322 I323 V324 G328 N329 I330	L223-Q326 HydrophobicContact CD1-CB 3.61Å; L223-Q326 HydrophobicContact CD2-CB 4.18Å; L223-Q326 HydrophobicContact CD2-CG 4.34Å; T322-Q326 WeakPolarHBondContact O-CB 3.37Å; T322-Q326 WeakPolarHBondContact O-CG 3.38Å; T322-Q326 PolarHBondContact O-N 2.81Å; I323-Q326 PolarHBondContact O-N 2.95Å; V324-Q326 PolarHBondContact O-N 2.81Å; Q326-G328 VanDerWaalsContact C-N 3.34Å; Q326-N329 PolarHBondContact O-N 3.47Å; Q326-I330 WeakPolarHBondContact O-CD1 3.48Å; Q326-I330 VanDerWaalsContact O-CG1 3.24Å; Q326-I330 WeakPolarHBondContact O-CG1 3.39Å; Q326-I330 PolarHBondContact O-N 3.3Å
327	V	87.6	Confident	86.3	Confident	51 Å²	51	72.7 Å²	72.7	31%	0.309	41%	0.41	S	S	.	.	H	α-helix	trans	-61	-45.4	175.2	171.9	0	0	0	0	110.3	L223 I323 V324 N329 I330 I331	L223-V327 HydrophobicContact CD1-CG2 4.26Å; I323-V327 HydrophobicContact CG2-CG2 4.39Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.32Å; V324-V327 PolarHBondContact O-N 3.02Å; V327-N329 PolarHBondContact O-N 3.25Å; V327-I330 PolarHBondContact O-N 3.31Å; V327-I331 HydrophobicContact CG1-CD1 4.01Å; V327-I331 WeakPolarHBondContact O-CG1 3.46Å; V327-I331 PolarHBondContact O-N 3.2Å; V327-I331 VanDerWaalsContact O-N 3.09Å
328	G	87.4	Confident	86.1	Confident	33 Å²	33	75.4 Å²	75.4	34%	0.34	41%	0.411	S	S	.	.	H	α-helix	trans	-56.9	-47.8	174.1	0	0	0	0	0	112.4	V324 G325 Q326 I330 I331 T332	V324-G328 PolarHBondContact O-N 3.36Å; G325-G328 PolarHBondContact O-N 3.29Å; Q326-G328 VanDerWaalsContact C-N 3.34Å; G328-I330 VanDerWaalsContact C-N 3.32Å; G328-I330 PolarHBondContact O-N 3.33Å; G328-I331 PolarHBondContact O-N 3.1Å; G328-T332 WeakPolarHBondContact O-CG2 3.24Å; G328-T332 PolarHBondContact O-N 3.38Å; G328-T332 PolarHBondContact O-OG1 3.2Å
329	N	86.7	Confident	86	Confident	85 Å²	85	71.6 Å²	71.6	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-35.4	178.1	-171.8	27	0	0	0	113.4	G325 Q326 V327 T332 T333	G325-N329 WeakPolarHBondContact O-CB 3.36Å; G325-N329 PolarHBondContact O-N 3.24Å; Q326-N329 PolarHBondContact O-N 3.47Å; V327-N329 PolarHBondContact O-N 3.25Å; N329-T332 WeakPolarHBondContact CA-OG1 3.18Å; N329-T332 PolarHBondContact O-OG1 3Å; N329-T333 VanDerWaalsContact O-CB 3.32Å; N329-T333 WeakPolarHBondContact O-CB 3.5Å; N329-T333 PolarHBondContact O-N 3.16Å; N329-T333 PolarHBondContact O-OG1 3.25Å
330	I	84.7	Confident	86	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.062	41%	0.409	C	S	.	.	H	α-helix	trans	-68.1	-40.2	176.6	-68.6	161.8	0	0	0	110.7	N216 R219 V220 L223 Q326 V327 G328 R334	N216-I330 HydrophobicContact CB-CG2 3.69Å; R219-I330 HydrophobicContact CB-CD1 3.66Å; R219-I330 HydrophobicContact CB-CG1 4.47Å; V220-I330 HydrophobicContact CG2-CD1 4.01Å; V220-I330 HydrophobicContact CG2-CG2 4.35Å; L223-I330 HydrophobicContact CD1-CD1 4Å; Q326-I330 WeakPolarHBondContact O-CD1 3.48Å; Q326-I330 VanDerWaalsContact O-CG1 3.24Å; Q326-I330 WeakPolarHBondContact O-CG1 3.39Å; Q326-I330 PolarHBondContact O-N 3.3Å; V327-I330 PolarHBondContact O-N 3.31Å; G328-I330 VanDerWaalsContact C-N 3.32Å; G328-I330 PolarHBondContact O-N 3.33Å; I330-R334 WeakPolarHBondContact O-CB 3.45Å; I330-R334 PolarHBondContact O-N 3.37Å
331	I	83.5	Confident	86.1	Confident	93 Å²	93	72 Å²	72	48%	0.477	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-46.4	178.1	-66.9	166.1	0	0	0	110.5	V327 G328 R334 N335	V327-I331 HydrophobicContact CG1-CD1 4.01Å; V327-I331 WeakPolarHBondContact O-CG1 3.46Å; V327-I331 PolarHBondContact O-N 3.2Å; V327-I331 VanDerWaalsContact O-N 3.09Å; G328-I331 PolarHBondContact O-N 3.1Å; I331-R334 PolarHBondContact O-N 3.42Å; I331-N335 PolarHBondContact O-N 3.15Å
332	T	85.4	Confident	86	Confident	74 Å²	74	72.8 Å²	72.8	45%	0.454	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-43.3	178.2	57	0	0	0	0	111.6	G328 N329 R334 N335 A336	G328-T332 WeakPolarHBondContact O-CG2 3.24Å; G328-T332 PolarHBondContact O-N 3.38Å; G328-T332 PolarHBondContact O-OG1 3.2Å; N329-T332 WeakPolarHBondContact CA-OG1 3.18Å; N329-T332 PolarHBondContact O-OG1 3Å; T332-R334 VanDerWaalsContact C-N 3.34Å; T332-R334 PolarHBondContact O-N 3.28Å; T332-N335 CarbonylContact O-C 3.5Å; T332-N335 PolarHBondContact O-N 3.43Å; T332-A336 PolarHBondContact O-N 3.06Å
333	T	82.6	Confident	86.2	Confident	75 Å²	75	73.9 Å²	73.9	46%	0.46	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-39	177.4	-57.1	0	0	0	0	111.8	N329 N335 A336	N329-T333 VanDerWaalsContact O-CB 3.32Å; N329-T333 WeakPolarHBondContact O-CB 3.5Å; N329-T333 PolarHBondContact O-N 3.16Å; N329-T333 PolarHBondContact O-OG1 3.25Å; T333-N335 VanDerWaalsContact C-N 3.34Å; T333-A336 WeakPolarHBondContact O-CB 3.38Å; T333-A336 PolarHBondContact O-N 3.38Å
334	R	78.4	Confident	86.4	Confident	182 Å²	182	76.7 Å²	76.7	69%	0.687	40%	0.403	S	S	*	.	H	α-helix	trans	-65.1	-39.3	176.8	-179.6	-177	175.9	124.8	3.6	112	I330 I331 T332 A336	I330-R334 WeakPolarHBondContact O-CB 3.45Å; I330-R334 PolarHBondContact O-N 3.37Å; I331-R334 PolarHBondContact O-N 3.42Å; T332-R334 VanDerWaalsContact C-N 3.34Å; T332-R334 PolarHBondContact O-N 3.28Å; R334-A336 VanDerWaalsContact C-N 3.31Å
335	N	84.1	Confident	86.6	Confident	64 Å²	64	73.6 Å²	73.6	34%	0.342	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	8.2	-177.6	-67.5	-14.6	0	0	0	112.8	I331 T332 T333 D337 R338 I339	I331-N335 PolarHBondContact O-N 3.15Å; T332-N335 CarbonylContact O-C 3.5Å; T332-N335 PolarHBondContact O-N 3.43Å; T333-N335 VanDerWaalsContact C-N 3.34Å; N335-D337 PolarHBondContact O-N 3.18Å; N335-R338 PolarHBondContact O-N 3.49Å; N335-R338 VanDerWaalsContact O-N 3.15Å; N335-I339 HydrophobicContact CB-CD1 3.93Å; N335-I339 HydrophobicContact CB-CG1 4.27Å; N335-I339 VanDerWaalsContact O-CG1 3.31Å; N335-I339 WeakPolarHBondContact O-CG1 3.47Å; N335-I339 PolarHBondContact O-N 3.03Å
336	A	85.2	Confident	86.9	Confident	44 Å²	44	75.4 Å²	75.4	36%	0.364	38%	0.383	S	S	.	.	H	α-helix	trans	-55.5	-49.9	-171.6	0	0	0	0	0	112.9	T332 T333 R334 R338 I339 E340	T332-A336 PolarHBondContact O-N 3.06Å; T333-A336 WeakPolarHBondContact O-CB 3.38Å; T333-A336 PolarHBondContact O-N 3.38Å; R334-A336 VanDerWaalsContact C-N 3.31Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 2.95Å; A336-I339 PolarHBondContact O-N 3.41Å; A336-E340 WeakPolarHBondContact O-CB 3.3Å; A336-E340 PolarHBondContact O-N 2.89Å
337	D	83	Confident	87.3	Confident	102 Å²	102	77.6 Å²	77.6	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-36.4	-178.8	-56.9	-25.9	0	0	0	112.1	N335 F341	N335-D337 PolarHBondContact O-N 3.18Å; D337-F341 WeakPolarHBondContact O-CB 3.49Å; D337-F341 PolarHBondContact O-N 2.92Å
338	R	85.7	Confident	87.6	Confident	135 Å²	135	76.1 Å²	76.1	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-68.4	-46.5	176.5	179.4	176.5	172.5	-177.6	-2.8	111.2	N335 A336 E340 F341 E342 W373	N335-R338 PolarHBondContact O-N 3.49Å; N335-R338 VanDerWaalsContact O-N 3.15Å; A336-R338 VanDerWaalsContact C-N 3.3Å; A336-R338 PolarHBondContact O-N 2.95Å; R338-E340 VanDerWaalsContact C-N 3.26Å; R338-E340 PolarHBondContact O-N 3.11Å; R338-F341 PolarHBondContact O-N 3.32Å; R338-E342 HydrophobicContact CG-CG 4.36Å; R338-E342 IonicContact CZ-OE1 3.41Å; R338-E342 IonicContact NE-OE1 2.81Å; R338-E342 PolarHBondContact NE-OE1 2.96Å; R338-E342 IonicContact NH2-OE1 3.95Å; R338-E342 PolarHBondContact NH2-OE1 2.76Å; R338-E342 WeakPolarHBondContact O-CB 3.42Å; R338-E342 WeakPolarHBondContact O-CG 3.34Å; R338-E342 PolarHBondContact O-N 3.36Å; R338-W373 HydrophobicContact CB-CH2 3.74Å; R338-W373 HydrophobicContact CB-CZ2 3.97Å; R338-W373 HydrophobicContact CG-CH2 4.2Å; R338-W373 HydrophobicContact CG-CZ2 4.01Å
339	I	87.8	Confident	88	Confident	64 Å²	64	77.8 Å²	77.8	33%	0.328	38%	0.384	S	S	.	.	H	α-helix	trans	-60.7	-40.9	178.1	-70.6	166.2	0	0	0	109.9	N335 A336 E342 K343	N335-I339 HydrophobicContact CB-CD1 3.93Å; N335-I339 HydrophobicContact CB-CG1 4.27Å; N335-I339 VanDerWaalsContact O-CG1 3.31Å; N335-I339 WeakPolarHBondContact O-CG1 3.47Å; N335-I339 PolarHBondContact O-N 3.03Å; A336-I339 PolarHBondContact O-N 3.41Å; I339-E342 PolarHBondContact O-N 3.23Å; I339-K343 VanDerWaalsContact O-CG 3.32Å; I339-K343 WeakPolarHBondContact O-CG 3.34Å; I339-K343 PolarHBondContact O-N 3Å
340	E	86.9	Confident	88.4	Confident	100 Å²	100	76.3 Å²	76.3	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-67	-42.3	178.3	-168.2	59.9	-166.1	0	0	112.2	A336 R338 K343 I344	A336-E340 WeakPolarHBondContact O-CB 3.3Å; A336-E340 PolarHBondContact O-N 2.89Å; R338-E340 VanDerWaalsContact C-N 3.26Å; R338-E340 PolarHBondContact O-N 3.11Å; E340-K343 PolarHBondContact O-N 2.92Å; E340-K343 IonicContact OE2-NZ 3.66Å; E340-K343 PolarHBondContact OE2-NZ 3.31Å; E340-I344 WeakPolarHBondContact O-CG1 3.31Å; E340-I344 PolarHBondContact O-N 3.31Å; E340-I344 VanDerWaalsContact O-N 3.15Å
341	F	88.5	Confident	88.9	Confident	16 Å²	16	83.2 Å²	83.2	7%	0.07	41%	0.407	C	S	.	.	H	α-helix	trans	-62.3	-44.9	173.7	-178.3	-94.5	0	0	0	112.4	D337 R338 K343 I344 L345 Y369 W373	D337-F341 WeakPolarHBondContact O-CB 3.49Å; D337-F341 PolarHBondContact O-N 2.92Å; R338-F341 PolarHBondContact O-N 3.32Å; F341-K343 VanDerWaalsContact C-N 3.31Å; F341-K343 PolarHBondContact O-N 3.19Å; F341-I344 PolarHBondContact O-N 3.09Å; F341-L345 HydrophobicContact CE1-CD2 4.47Å; F341-L345 PolarHBondContact O-N 3.06Å; F341-Y369 AromaticContact CE2-CD1 3.87Å; F341-Y369 HydrophobicContact CE2-CD1 3.87Å; F341-Y369 AromaticContact CZ-CD1 3.67Å; F341-Y369 HydrophobicContact CZ-CD1 3.67Å; F341-Y369 HydrophobicContact CZ-CG 4.34Å; F341-Y369 WeakPolarHBondContact CZ-O 3.48Å; F341-W373 HydrophobicContact CB-CE3 3.89Å; F341-W373 HydrophobicContact CB-CZ3 3.79Å; F341-W373 HydrophobicContact CD1-CB 4.36Å; F341-W373 HydrophobicContact CD1-CD2 4.02Å; F341-W373 AromaticContact CD1-CE3 3.74Å; F341-W373 HydrophobicContact CD1-CE3 3.74Å; F341-W373 HydrophobicContact CD1-CG 4.29Å; F341-W373 HydrophobicContact CD1-CZ3 4.41Å; F341-W373 AromaticContact CD2-CE3 3.93Å; F341-W373 HydrophobicContact CD2-CE3 3.93Å; F341-W373 HydrophobicContact CE1-CB 3.73Å; F341-W373 HydrophobicContact CE1-CD2 4.27Å; F341-W373 HydrophobicContact CE1-CE3 4.26Å; F341-W373 HydrophobicContact CE1-CG 4.06Å; F341-W373 HydrophobicContact CE2-CB 4.26Å; F341-W373 HydrophobicContact CE2-CE3 4.42Å; F341-W373 HydrophobicContact CG-CD2 4.3Å; F341-W373 AromaticContact CG-CE3 3.55Å; F341-W373 HydrophobicContact CG-CE3 3.55Å; F341-W373 HydrophobicContact CG-CZ3 4Å; F341-W373 HydrophobicContact CZ-CB 3.67Å; F341-W373 HydrophobicContact CZ-CG 4.43Å
342	E	89.9	Confident	89.5	Confident	73 Å²	73	79.2 Å²	79.2	34%	0.341	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-40.3	177.6	-76.6	174	174.9	0	0	111.3	R338 I339 L345 D346	R338-E342 HydrophobicContact CG-CG 4.36Å; R338-E342 IonicContact CZ-OE1 3.41Å; R338-E342 IonicContact NE-OE1 2.81Å; R338-E342 PolarHBondContact NE-OE1 2.96Å; R338-E342 IonicContact NH2-OE1 3.95Å; R338-E342 PolarHBondContact NH2-OE1 2.76Å; R338-E342 WeakPolarHBondContact O-CB 3.42Å; R338-E342 WeakPolarHBondContact O-CG 3.34Å; R338-E342 PolarHBondContact O-N 3.36Å; I339-E342 PolarHBondContact O-N 3.23Å; E342-L345 PolarHBondContact O-N 2.94Å; E342-D346 WeakPolarHBondContact O-CB 3.44Å; E342-D346 VanDerWaalsContact O-CG 3.28Å; E342-D346 PolarHBondContact O-N 3.06Å
343	K	92.7	Very high	89.9	Confident	108 Å²	108	83.3 Å²	83.3	47%	0.47	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-46.4	173.4	-73.5	171.8	-172.8	169	0	112.7	I339 E340 F341 L345 D346 H347	I339-K343 VanDerWaalsContact O-CG 3.32Å; I339-K343 WeakPolarHBondContact O-CG 3.34Å; I339-K343 PolarHBondContact O-N 3Å; E340-K343 PolarHBondContact O-N 2.92Å; E340-K343 IonicContact OE2-NZ 3.66Å; E340-K343 PolarHBondContact OE2-NZ 3.31Å; F341-K343 VanDerWaalsContact C-N 3.31Å; F341-K343 PolarHBondContact O-N 3.19Å; K343-L345 VanDerWaalsContact C-N 3.3Å; K343-L345 PolarHBondContact O-N 3.02Å; K343-D346 PolarHBondContact O-N 3.28Å; K343-H347 WeakPolarHBondContact O-CB 3.41Å; K343-H347 PolarHBondContact O-CD2 3.02Å; K343-H347 PolarHBondContact O-N 3.37Å
344	I	91.4	Very high	90.5	Very high	77 Å²	77	83.6 Å²	83.6	40%	0.395	40%	0.404	S	S	.	.	H	α-helix	trans	-60.8	-44.1	178.1	-66.1	167.9	0	0	0	110.1	E340 F341 H347 A348 Y369	E340-I344 WeakPolarHBondContact O-CG1 3.31Å; E340-I344 PolarHBondContact O-N 3.31Å; E340-I344 VanDerWaalsContact O-N 3.15Å; F341-I344 PolarHBondContact O-N 3.09Å; I344-H347 PolarHBondContact O-N 3.35Å; I344-A348 PolarHBondContact O-N 2.73Å; I344-Y369 HydrophobicContact CG2-CE1 4.02Å
345	L	92.1	Very high	91.4	Very high	18 Å²	18	79.2 Å²	79.2	9%	0.094	39%	0.394	C	S	.	.	H	α-helix	trans	-63.3	-42.9	177.4	175.9	59.5	0	0	0	111.8	F341 E342 K343 H347 A348 K349 L366 Y369	F341-L345 HydrophobicContact CE1-CD2 4.47Å; F341-L345 PolarHBondContact O-N 3.06Å; E342-L345 PolarHBondContact O-N 2.94Å; K343-L345 VanDerWaalsContact C-N 3.3Å; K343-L345 PolarHBondContact O-N 3.02Å; L345-H347 VanDerWaalsContact C-N 3.34Å; L345-A348 WeakPolarHBondContact O-CB 3.38Å; L345-A348 PolarHBondContact O-N 3.25Å; L345-K349 HydrophobicContact CD1-CG 4.43Å; L345-K349 HydrophobicContact CG-CD 4.36Å; L345-K349 WeakPolarHBondContact O-CG 3.23Å; L345-K349 PolarHBondContact O-N 3.41Å; L345-L366 HydrophobicContact CD1-CD2 3.74Å; L345-Y369 HydrophobicContact CD1-CD1 4.31Å; L345-Y369 HydrophobicContact CD1-CD2 3.76Å; L345-Y369 HydrophobicContact CD1-CE2 4.36Å; L345-Y369 HydrophobicContact CD1-CG 3.74Å
346	D	94.3	Very high	91.8	Very high	80 Å²	80	81.3 Å²	81.3	43%	0.428	41%	0.413	S	S	.	.	H	α-helix	trans	-70.1	-32.6	179.7	-73.3	-15.6	0	0	0	112.4	E342 K343 K349 S350	E342-D346 WeakPolarHBondContact O-CB 3.44Å; E342-D346 VanDerWaalsContact O-CG 3.28Å; E342-D346 PolarHBondContact O-N 3.06Å; K343-D346 PolarHBondContact O-N 3.28Å; D346-K349 IonicContact OD1-NZ 3.56Å; D346-K349 PolarHBondContact OD1-NZ 2.98Å; D346-K349 VanDerWaalsContact OD1-NZ 3.08Å; D346-S350 VanDerWaalsContact O-CB 3.3Å; D346-S350 WeakPolarHBondContact O-CB 3.21Å; D346-S350 PolarHBondContact O-N 3.2Å; D346-S350 PolarHBondContact O-OG 2.81Å
347	H	94.8	Very high	92.2	Very high	144 Å²	144	80.8 Å²	80.8	67%	0.667	41%	0.405	S	S	*	.	H	α-helix	trans	-62.6	-47.2	168.1	-78.9	-148.6	0	0	0	111	K343 I344 L345 K349 S350 Y351	K343-H347 WeakPolarHBondContact O-CB 3.41Å; K343-H347 PolarHBondContact O-CD2 3.02Å; K343-H347 PolarHBondContact O-N 3.37Å; I344-H347 PolarHBondContact O-N 3.35Å; L345-H347 VanDerWaalsContact C-N 3.34Å; H347-K349 PolarHBondContact O-N 3.17Å; H347-S350 PolarHBondContact O-N 3.45Å; H347-Y351 WeakPolarHBondContact O-CB 3.49Å; H347-Y351 PolarHBondContact O-N 2.81Å
348	A	94.7	Very high	92.8	Very high	19 Å²	19	80.5 Å²	80.5	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-61	-45.3	176.9	0	0	0	0	0	111.8	I344 L345 S350 Y351 M352 Y369	I344-A348 PolarHBondContact O-N 2.73Å; L345-A348 WeakPolarHBondContact O-CB 3.38Å; L345-A348 PolarHBondContact O-N 3.25Å; A348-S350 VanDerWaalsContact C-N 3.33Å; A348-S350 PolarHBondContact O-N 2.81Å; A348-Y351 PolarHBondContact O-N 3.42Å; A348-M352 VanDerWaalsContact O-CG 3.31Å; A348-M352 WeakPolarHBondContact O-CG 3.45Å; A348-M352 PolarHBondContact O-N 3.22Å; A348-Y369 HydrophobicContact CB-CE2 3.88Å
349	K	95.1	Very high	93.2	Very high	68 Å²	68	80.9 Å²	80.9	30%	0.296	41%	0.409	S	S	.	.	H	α-helix	trans	-58.3	-44.4	174.2	-73.4	170.7	-172.1	158.4	0	111.8	L345 D346 H347 M352 R353 L366	L345-K349 HydrophobicContact CD1-CG 4.43Å; L345-K349 HydrophobicContact CG-CD 4.36Å; L345-K349 WeakPolarHBondContact O-CG 3.23Å; L345-K349 PolarHBondContact O-N 3.41Å; D346-K349 IonicContact OD1-NZ 3.56Å; D346-K349 PolarHBondContact OD1-NZ 2.98Å; D346-K349 VanDerWaalsContact OD1-NZ 3.08Å; H347-K349 PolarHBondContact O-N 3.17Å; K349-M352 HydrophobicContact CG-CE 4.36Å; K349-M352 PolarHBondContact O-N 3.27Å; K349-R353 WeakPolarHBondContact O-CB 3.48Å; K349-R353 WeakPolarHBondContact O-CG 3.35Å; K349-R353 PolarHBondContact O-N 3.39Å; K349-L366 HydrophobicContact CG-CD2 3.92Å
350	S	95.2	Very high	93.4	Very high	55 Å²	55	83.9 Å²	83.9	39%	0.385	43%	0.426	S	S	.	.	H	α-helix	trans	-67.5	-39.1	-179.7	-59.4	0	0	0	0	111.6	D346 H347 A348 R353 A354	D346-S350 VanDerWaalsContact O-CB 3.3Å; D346-S350 WeakPolarHBondContact O-CB 3.21Å; D346-S350 PolarHBondContact O-N 3.2Å; D346-S350 PolarHBondContact O-OG 2.81Å; H347-S350 PolarHBondContact O-N 3.45Å; A348-S350 VanDerWaalsContact C-N 3.33Å; A348-S350 PolarHBondContact O-N 2.81Å; S350-R353 PolarHBondContact O-N 3.08Å; S350-R353 PolarHBondContact OG-NH2 3.27Å; S350-A354 WeakPolarHBondContact O-CB 3.19Å; S350-A354 PolarHBondContact O-N 2.88Å
351	Y	96.3	Very high	93.7	Very high	157 Å²	157	82.9 Å²	82.9	62%	0.616	42%	0.424	S	S	*	.	H	α-helix	trans	-62.4	-44.7	172.4	-177.5	-91.6	0	0	0	112.4	H347 A348 R353 A354 N355	H347-Y351 WeakPolarHBondContact O-CB 3.49Å; H347-Y351 PolarHBondContact O-N 2.81Å; A348-Y351 PolarHBondContact O-N 3.42Å; Y351-R353 VanDerWaalsContact C-N 3.33Å; Y351-R353 PolarHBondContact O-N 3Å; Y351-A354 PolarHBondContact O-N 3.47Å; Y351-N355 WeakPolarHBondContact CE2-ND2 3.48Å; Y351-N355 PolarHBondContact O-N 3.23Å; Y351-N355 PolarHBondContact O-ND2 2.87Å
352	M	96.1	Very high	94	Very high	9 Å²	9	83.4 Å²	83.4	4%	0.044	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-39.3	177.7	-72.1	-173.1	-61.9	0	0	112.2	A348 K349 S356 V357 Q362 I365 L366	A348-M352 VanDerWaalsContact O-CG 3.31Å; A348-M352 WeakPolarHBondContact O-CG 3.45Å; A348-M352 PolarHBondContact O-N 3.22Å; K349-M352 HydrophobicContact CG-CE 4.36Å; K349-M352 PolarHBondContact O-N 3.27Å; M352-S356 PolarHBondContact O-N 3.46Å; M352-V357 HydrophobicContact CB-CB 4.19Å; M352-V357 HydrophobicContact CB-CG2 4.2Å; M352-V357 HydrophobicContact CG-CB 4.34Å; M352-V357 HydrophobicContact CG-CG2 4.21Å; M352-V357 PolarHBondContact O-N 3Å; M352-V357 VanDerWaalsContact O-N 3.07Å; M352-Q362 HydrophobicContact CB-CG 4.1Å; M352-Q362 HydrophobicContact CG-CG 4.4Å; M352-Q362 HydrophobicContact SD-CB 4.09Å; M352-Q362 HydrophobicContact SD-CG 3.81Å; M352-I365 HydrophobicContact CE-CG2 4.35Å; M352-I365 HydrophobicContact SD-CB 4.08Å; M352-I365 HydrophobicContact SD-CD1 3.69Å; M352-I365 HydrophobicContact SD-CG1 4.49Å; M352-I365 HydrophobicContact SD-CG2 4.05Å; M352-L366 HydrophobicContact CE-CD2 4.15Å; M352-L366 HydrophobicContact CE-CG 4.34Å
353	R	93.3	Very high	94.1	Very high	160 Å²	160	82.9 Å²	82.9	60%	0.604	43%	0.431	S	S	*	.	H	α-helix	trans	-65.6	-47.2	174.6	-74.1	-174.7	-66.8	-170.2	2.1	111.8	K349 S350 Y351 N355 S356	K349-R353 WeakPolarHBondContact O-CB 3.48Å; K349-R353 WeakPolarHBondContact O-CG 3.35Å; K349-R353 PolarHBondContact O-N 3.39Å; S350-R353 PolarHBondContact O-N 3.08Å; S350-R353 PolarHBondContact OG-NH2 3.27Å; Y351-R353 VanDerWaalsContact C-N 3.33Å; Y351-R353 PolarHBondContact O-N 3Å; R353-N355 VanDerWaalsContact C-N 3.26Å; R353-N355 PolarHBondContact O-N 3.41Å; R353-S356 PolarHBondContact O-N 3.23Å
354	A	96	Very high	94.1	Very high	81 Å²	81	83 Å²	83	67%	0.669	43%	0.428	S	S	*	.	H	α-helix	trans	-62.1	-32.9	-179.5	0	0	0	0	0	112.9	S350 Y351	S350-A354 WeakPolarHBondContact O-CB 3.19Å; S350-A354 PolarHBondContact O-N 2.88Å; Y351-A354 PolarHBondContact O-N 3.47Å
355	N	96.1	Very high	94.2	Very high	90 Å²	90	81.8 Å²	81.8	48%	0.481	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	9	-178.6	-66.3	-78.3	0	0	0	114	Y351 R353 V357	Y351-N355 WeakPolarHBondContact CE2-ND2 3.48Å; Y351-N355 PolarHBondContact O-N 3.23Å; Y351-N355 PolarHBondContact O-ND2 2.87Å; R353-N355 VanDerWaalsContact C-N 3.26Å; R353-N355 PolarHBondContact O-N 3.41Å; N355-V357 HydrophobicContact CB-CG2 4.23Å; N355-V357 PolarHBondContact O-N 3.02Å
356	S	93	Very high	94.3	Very high	107 Å²	107	83.4 Å²	83.4	75%	0.748	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	43.6	-180	-57.8	0	0	0	0	113.3	M352 R353	M352-S356 PolarHBondContact O-N 3.46Å; R353-S356 PolarHBondContact O-N 3.23Å
357	V	94.2	Very high	94.2	Very high	33 Å²	33	85.9 Å²	85.9	20%	0.2	43%	0.434	C	S	.	.			trans	-60.5	142.5	-180	176.8	0	0	0	0	109.8	M352 N355 L361 Q362	M352-V357 HydrophobicContact CB-CB 4.19Å; M352-V357 HydrophobicContact CB-CG2 4.2Å; M352-V357 HydrophobicContact CG-CB 4.34Å; M352-V357 HydrophobicContact CG-CG2 4.21Å; M352-V357 PolarHBondContact O-N 3Å; M352-V357 VanDerWaalsContact O-N 3.07Å; N355-V357 HydrophobicContact CB-CG2 4.23Å; N355-V357 PolarHBondContact O-N 3.02Å; V357-L361 HydrophobicContact CG1-CB 4.04Å; V357-L361 HydrophobicContact CG1-CD2 3.79Å; V357-L361 HydrophobicContact CG1-CG 4.03Å; V357-Q362 HydrophobicContact CB-CG 4.07Å; V357-Q362 HydrophobicContact CG1-CG 4.04Å; V357-Q362 PolarHBondContact O-NE2 3.27Å
358	D	95.5	Very high	94.1	Very high	97 Å²	97	83.1 Å²	83.1	52%	0.519	42%	0.418	S	S	.	.			trans	-54.4	143.2	178.3	177.3	67	0	0	0	113.2	D360 L361 Q362	D358-D360 VanDerWaalsContact C-N 3.33Å; D358-D360 PolarHBondContact O-N 3.01Å; D358-D360 WeakPolarHBondContact OD2-CA 3.47Å; D358-D360 VanDerWaalsContact OD2-CB 3.27Å; D358-D360 WeakPolarHBondContact OD2-CB 3.35Å; D358-D360 PolarHBondContact OD2-N 2.84Å; D358-L361 HydrophobicContact CB-CB 4.45Å; D358-L361 PolarHBondContact O-N 2.68Å; D358-L361 PolarHBondContact OD2-N 3.46Å; D358-Q362 WeakPolarHBondContact O-CG 3.32Å; D358-Q362 PolarHBondContact O-N 3.38Å
359	K	92.8	Very high	94	Very high	142 Å²	142	84 Å²	84	62%	0.617	42%	0.417	S	S	*	.	H	α-helix	trans	-66.2	-31.9	-173.8	-71	-65.9	-177.4	-177.5	0	113.3	S363	K359-S363 WeakPolarHBondContact O-CB 3.45Å; K359-S363 PolarHBondContact O-N 3.31Å; K359-S363 PolarHBondContact O-OG 2.88Å
360	D	92.4	Very high	93.8	Very high	128 Å²	128	85.7 Å²	85.7	68%	0.684	43%	0.429	S	S	*	.	H	α-helix	trans	-70.1	-41.9	176.6	-64.7	-39.9	0	0	0	110.1	D358 S363 R364	D358-D360 VanDerWaalsContact C-N 3.33Å; D358-D360 PolarHBondContact O-N 3.01Å; D358-D360 WeakPolarHBondContact OD2-CA 3.47Å; D358-D360 VanDerWaalsContact OD2-CB 3.27Å; D358-D360 WeakPolarHBondContact OD2-CB 3.35Å; D358-D360 PolarHBondContact OD2-N 2.84Å; D360-S363 PolarHBondContact O-N 2.96Å; D360-R364 PolarHBondContact O-N 3.5Å
361	L	93	Very high	93.6	Very high	79 Å²	79	84.6 Å²	84.6	41%	0.414	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-42.7	175.4	-174	58.9	0	0	0	112	V357 D358 S363 R364 I365	V357-L361 HydrophobicContact CG1-CB 4.04Å; V357-L361 HydrophobicContact CG1-CD2 3.79Å; V357-L361 HydrophobicContact CG1-CG 4.03Å; D358-L361 HydrophobicContact CB-CB 4.45Å; D358-L361 PolarHBondContact O-N 2.68Å; D358-L361 PolarHBondContact OD2-N 3.46Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-S363 PolarHBondContact O-N 3.37Å; L361-R364 PolarHBondContact O-N 3.22Å; L361-I365 HydrophobicContact CD1-CD1 4.31Å; L361-I365 HydrophobicContact CD1-CG1 4.43Å; L361-I365 HydrophobicContact CG-CD1 3.99Å; L361-I365 WeakPolarHBondContact O-CG1 3.38Å; L361-I365 PolarHBondContact O-N 3.16Å
362	Q	94.1	Very high	93.2	Very high	26 Å²	26	77.2 Å²	77.2	12%	0.121	39%	0.388	C	S	.	.	H	α-helix	trans	-55.6	-49.1	173.8	-70.8	-175.9	15.4	0	0	111	M352 V357 D358 R364 I365 L366	M352-Q362 HydrophobicContact CB-CG 4.1Å; M352-Q362 HydrophobicContact CG-CG 4.4Å; M352-Q362 HydrophobicContact SD-CB 4.09Å; M352-Q362 HydrophobicContact SD-CG 3.81Å; V357-Q362 HydrophobicContact CB-CG 4.07Å; V357-Q362 HydrophobicContact CG1-CG 4.04Å; V357-Q362 PolarHBondContact O-NE2 3.27Å; D358-Q362 WeakPolarHBondContact O-CG 3.32Å; D358-Q362 PolarHBondContact O-N 3.38Å; Q362-R364 VanDerWaalsContact C-N 3.3Å; Q362-R364 PolarHBondContact O-N 2.97Å; Q362-I365 PolarHBondContact O-N 3.18Å; Q362-L366 WeakPolarHBondContact O-CG 3.48Å; Q362-L366 PolarHBondContact O-N 2.92Å
363	S	93.2	Very high	92.8	Very high	62 Å²	62	81.6 Å²	81.6	43%	0.434	41%	0.405	S	S	.	.	H	α-helix	trans	-62	-38	-179.6	-59.3	0	0	0	0	112.3	K359 D360 L361 R367	K359-S363 WeakPolarHBondContact O-CB 3.45Å; K359-S363 PolarHBondContact O-N 3.31Å; K359-S363 PolarHBondContact O-OG 2.88Å; D360-S363 PolarHBondContact O-N 2.96Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-S363 PolarHBondContact O-N 3.37Å; S363-R367 WeakPolarHBondContact O-CB 3.47Å; S363-R367 PolarHBondContact O-N 2.84Å
364	R	92.8	Very high	92.5	Very high	110 Å²	110	78 Å²	78	42%	0.415	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-42.5	175.5	-178.1	172.1	160.4	-148.7	-9.5	112.3	D360 L361 Q362 R367 W368 T434 D437	D360-R364 PolarHBondContact O-N 3.5Å; L361-R364 PolarHBondContact O-N 3.22Å; Q362-R364 VanDerWaalsContact C-N 3.3Å; Q362-R364 PolarHBondContact O-N 2.97Å; R364-R367 PolarHBondContact O-N 2.72Å; R364-W368 PolarHBondContact O-N 3.3Å; R364-T434 PolarHBondContact NE-OG1 3.4Å; R364-D437 IonicContact CZ-OD1 3.87Å; R364-D437 IonicContact NE-OD1 3.93Å; R364-D437 PolarHBondContact NE-OD1 2.92Å; R364-D437 IonicContact NH2-OD1 4Å; R364-D437 PolarHBondContact NH2-OD1 3.36Å; R364-D437 IonicContact NH2-OD2 3.47Å
365	I	93.6	Very high	91.9	Very high	53 Å²	53	78 Å²	78	27%	0.272	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-46.4	176.7	-68.3	166.6	0	0	0	110.7	M352 L361 Q362 R367 W368 Y369	M352-I365 HydrophobicContact CE-CG2 4.35Å; M352-I365 HydrophobicContact SD-CB 4.08Å; M352-I365 HydrophobicContact SD-CD1 3.69Å; M352-I365 HydrophobicContact SD-CG1 4.49Å; M352-I365 HydrophobicContact SD-CG2 4.05Å; L361-I365 HydrophobicContact CD1-CD1 4.31Å; L361-I365 HydrophobicContact CD1-CG1 4.43Å; L361-I365 HydrophobicContact CG-CD1 3.99Å; L361-I365 WeakPolarHBondContact O-CG1 3.38Å; L361-I365 PolarHBondContact O-N 3.16Å; Q362-I365 PolarHBondContact O-N 3.18Å; I365-R367 VanDerWaalsContact C-N 3.34Å; I365-R367 PolarHBondContact O-N 3.03Å; I365-W368 WeakPolarHBondContact O-CB 3.39Å; I365-W368 PolarHBondContact O-N 2.84Å; I365-W368 VanDerWaalsContact O-N 3.14Å; I365-Y369 HydrophobicContact CG2-CD2 3.83Å; I365-Y369 HydrophobicContact CG2-CE2 3.67Å; I365-Y369 VanDerWaalsContact O-CD2 3.32Å; I365-Y369 WeakPolarHBondContact O-CD2 3.42Å; I365-Y369 PolarHBondContact O-N 3.34Å
366	L	93.7	Very high	90.9	Very high	52 Å²	52	75.2 Å²	75.2	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-60.9	-44.4	177.8	-67.8	175.8	0	0	0	111.5	L345 K349 M352 Q362 W368 Y369 D370	L345-L366 HydrophobicContact CD1-CD2 3.74Å; K349-L366 HydrophobicContact CG-CD2 3.92Å; M352-L366 HydrophobicContact CE-CD2 4.15Å; M352-L366 HydrophobicContact CE-CG 4.34Å; Q362-L366 WeakPolarHBondContact O-CG 3.48Å; Q362-L366 PolarHBondContact O-N 2.92Å; L366-W368 VanDerWaalsContact C-N 3.25Å; L366-W368 PolarHBondContact O-N 3.16Å; L366-Y369 WeakPolarHBondContact O-CB 3.47Å; L366-Y369 PolarHBondContact O-N 2.98Å; L366-Y369 VanDerWaalsContact O-N 3.1Å; L366-D370 PolarHBondContact O-N 2.64Å
367	R	92.5	Very high	89.6	Confident	131 Å²	131	72 Å²	72	49%	0.494	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-35.4	175.1	-177.8	-175.4	-57.4	178.4	5	112.7	S363 R364 I365 Y371 Y499	S363-R367 WeakPolarHBondContact O-CB 3.47Å; S363-R367 PolarHBondContact O-N 2.84Å; R364-R367 PolarHBondContact O-N 2.72Å; I365-R367 VanDerWaalsContact C-N 3.34Å; I365-R367 PolarHBondContact O-N 3.03Å; R367-Y371 WeakPolarHBondContact O-CB 3.4Å; R367-Y371 PolarHBondContact O-N 3.22Å; R367-Y371 VanDerWaalsContact O-N 3.12Å; R367-Y499 WeakPolarHBondContact CD-OH 3.36Å; R367-Y499 HydrophobicContact CG-CE1 4.3Å; R367-Y499 WeakPolarHBondContact CG-OH 3.42Å
368	W	93	Very high	87.7	Confident	86 Å²	86	71.8 Å²	71.8	33%	0.326	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-48.1	173.1	178.3	90.1	0	0	0	111.1	R364 I365 L366 D370 Y371 A372 V432 T434	R364-W368 PolarHBondContact O-N 3.3Å; I365-W368 WeakPolarHBondContact O-CB 3.39Å; I365-W368 PolarHBondContact O-N 2.84Å; I365-W368 VanDerWaalsContact O-N 3.14Å; L366-W368 VanDerWaalsContact C-N 3.25Å; L366-W368 PolarHBondContact O-N 3.16Å; W368-D370 PolarHBondContact O-N 3.07Å; W368-Y371 PolarHBondContact O-N 3.32Å; W368-A372 HydrophobicContact CH2-CB 4.43Å; W368-A372 HydrophobicContact CZ2-CB 4.42Å; W368-A372 VanDerWaalsContact O-CB 3.27Å; W368-A372 WeakPolarHBondContact O-CB 3.35Å; W368-A372 PolarHBondContact O-N 3.13Å; W368-V432 PolarHBondContact NE1-O 3.26Å; W368-T434 HydrophobicContact CB-CG2 3.62Å; W368-T434 HydrophobicContact CG-CG2 4.17Å
369	Y	92.3	Very high	85.7	Confident	38 Å²	38	68.4 Å²	68.4	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-59.4	-45.2	177.2	-84	-75.4	0	0	0	111.6	F341 I344 L345 A348 I365 L366 Y371 A372 W373	F341-Y369 AromaticContact CE2-CD1 3.87Å; F341-Y369 HydrophobicContact CE2-CD1 3.87Å; F341-Y369 AromaticContact CZ-CD1 3.67Å; F341-Y369 HydrophobicContact CZ-CD1 3.67Å; F341-Y369 HydrophobicContact CZ-CG 4.34Å; F341-Y369 WeakPolarHBondContact CZ-O 3.48Å; I344-Y369 HydrophobicContact CG2-CE1 4.02Å; L345-Y369 HydrophobicContact CD1-CD1 4.31Å; L345-Y369 HydrophobicContact CD1-CD2 3.76Å; L345-Y369 HydrophobicContact CD1-CE2 4.36Å; L345-Y369 HydrophobicContact CD1-CG 3.74Å; A348-Y369 HydrophobicContact CB-CE2 3.88Å; I365-Y369 HydrophobicContact CG2-CD2 3.83Å; I365-Y369 HydrophobicContact CG2-CE2 3.67Å; I365-Y369 VanDerWaalsContact O-CD2 3.32Å; I365-Y369 WeakPolarHBondContact O-CD2 3.42Å; I365-Y369 PolarHBondContact O-N 3.34Å; L366-Y369 WeakPolarHBondContact O-CB 3.47Å; L366-Y369 PolarHBondContact O-N 2.98Å; L366-Y369 VanDerWaalsContact O-N 3.1Å; Y369-Y371 VanDerWaalsContact C-N 3.35Å; Y369-Y371 PolarHBondContact O-N 2.87Å; Y369-A372 PolarHBondContact O-N 3.26Å; Y369-W373 WeakPolarHBondContact O-CB 3.46Å; Y369-W373 PolarHBondContact O-N 2.96Å
370	D	90.8	Very high	83.8	Confident	103 Å²	103	63.5 Å²	63.5	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-59.2	-45.5	178.1	-68.1	-28	0	0	0	111.6	L366 W368 S374	L366-D370 PolarHBondContact O-N 2.64Å; W368-D370 PolarHBondContact O-N 3.07Å; D370-S374 WeakPolarHBondContact O-CB 3.43Å; D370-S374 PolarHBondContact O-N 3.29Å
371	Y	90.7	Very high	82	Confident	32 Å²	32	60.7 Å²	60.7	13%	0.125	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-47.4	177.9	-173.3	-87.4	0	0	0	111.6	R367 W368 Y369 W373 S374 K375 V432 Y499 E501	R367-Y371 WeakPolarHBondContact O-CB 3.4Å; R367-Y371 PolarHBondContact O-N 3.22Å; R367-Y371 VanDerWaalsContact O-N 3.12Å; W368-Y371 PolarHBondContact O-N 3.32Å; Y369-Y371 VanDerWaalsContact C-N 3.35Å; Y369-Y371 PolarHBondContact O-N 2.87Å; Y371-W373 VanDerWaalsContact C-N 3.28Å; Y371-W373 PolarHBondContact O-N 3.21Å; Y371-S374 PolarHBondContact O-N 2.83Å; Y371-S374 VanDerWaalsContact O-N 3.12Å; Y371-S374 PolarHBondContact O-OG 3.11Å; Y371-K375 HydrophobicContact CD1-CG 4.2Å; Y371-K375 HydrophobicContact CE1-CG 3.69Å; Y371-K375 HydrophobicContact CE2-CG 4.45Å; Y371-K375 PolarHBondContact O-N 3.37Å; Y371-K375 VanDerWaalsContact O-N 3.08Å; Y371-K375 VanDerWaalsContact OH-CE 3.31Å; Y371-K375 WeakPolarHBondContact OH-CE 3.43Å; Y371-K375 PolarHBondContact OH-NZ 3.27Å; Y371-V432 HydrophobicContact CD1-CG1 3.53Å; Y371-V432 HydrophobicContact CE1-CG1 3.82Å; Y371-Y499 VanDerWaalsContact CB-CE1 3.5Å; Y371-Y499 AromaticContact CD1-CD1 3.79Å; Y371-Y499 HydrophobicContact CD1-CD1 3.79Å; Y371-Y499 HydrophobicContact CD1-CE1 4.31Å; Y371-Y499 HydrophobicContact CD1-CG 4.34Å; Y371-Y499 AromaticContact CD2-CD1 3.42Å; Y371-Y499 HydrophobicContact CD2-CD1 3.42Å; Y371-Y499 VanDerWaalsContact CD2-CD1 3.42Å; Y371-Y499 AromaticContact CD2-CD2 3.86Å; Y371-Y499 HydrophobicContact CD2-CD2 3.86Å; Y371-Y499 AromaticContact CD2-CE1 3.58Å; Y371-Y499 HydrophobicContact CD2-CE1 3.58Å; Y371-Y499 HydrophobicContact CD2-CE2 4.03Å; Y371-Y499 AromaticContact CD2-CG 3.53Å; Y371-Y499 HydrophobicContact CD2-CG 3.53Å; Y371-Y499 AromaticContact CD2-CZ 3.84Å; Y371-Y499 HydrophobicContact CE1-CD1 4.17Å; Y371-Y499 HydrophobicContact CE1-CG 4.31Å; Y371-Y499 AromaticContact CE2-CD1 3.84Å; Y371-Y499 HydrophobicContact CE2-CD1 3.84Å; Y371-Y499 AromaticContact CE2-CD2 3.85Å; Y371-Y499 HydrophobicContact CE2-CD2 3.85Å; Y371-Y499 HydrophobicContact CE2-CE1 4.4Å; Y371-Y499 HydrophobicContact CE2-CE2 4.43Å; Y371-Y499 AromaticContact CE2-CG 3.49Å; Y371-Y499 HydrophobicContact CE2-CG 3.49Å; Y371-Y499 VanDerWaalsContact CE2-CG 3.49Å; Y371-Y499 AromaticContact CG-CD1 3.39Å; Y371-Y499 HydrophobicContact CG-CD1 3.39Å; Y371-Y499 AromaticContact CG-CE1 3.52Å; Y371-Y499 HydrophobicContact CG-CE1 3.52Å; Y371-Y499 AromaticContact CG-CG 3.97Å; Y371-Y499 HydrophobicContact CG-CG 3.97Å; Y371-Y499 AromaticContact CZ-CG 3.91Å; Y371-E501 HydrophobicContact CE1-CG 4.28Å; Y371-E501 PolarHBondContact OH-OE1 3.37Å
372	A	88.5	Confident	80.4	Confident	2 Å²	2	60.6 Å²	60.6	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-36.4	179.5	0	0	0	0	0	112.4	W368 Y369 G376 C377 G378	W368-A372 HydrophobicContact CH2-CB 4.43Å; W368-A372 HydrophobicContact CZ2-CB 4.42Å; W368-A372 VanDerWaalsContact O-CB 3.27Å; W368-A372 WeakPolarHBondContact O-CB 3.35Å; W368-A372 PolarHBondContact O-N 3.13Å; Y369-A372 PolarHBondContact O-N 3.26Å; A372-G376 PolarHBondContact O-N 3.05Å; A372-C377 HydrophobicContact CB-CB 4.4Å; A372-C377 PolarHBondContact O-N 3.46Å; A372-G378 PolarHBondContact O-N 3.27Å
373	W	87.6	Confident	79.2	Confident	101 Å²	101	61.8 Å²	61.8	38%	0.383	35%	0.347	S	S	.	.	H	α-helix	trans	-67.8	-47.7	172.2	178.4	-111.3	0	0	0	111.9	R338 F341 Y369 Y371 K375 G376	R338-W373 HydrophobicContact CB-CH2 3.74Å; R338-W373 HydrophobicContact CB-CZ2 3.97Å; R338-W373 HydrophobicContact CG-CH2 4.2Å; R338-W373 HydrophobicContact CG-CZ2 4.01Å; F341-W373 HydrophobicContact CB-CE3 3.89Å; F341-W373 HydrophobicContact CB-CZ3 3.79Å; F341-W373 HydrophobicContact CD1-CB 4.36Å; F341-W373 HydrophobicContact CD1-CD2 4.02Å; F341-W373 AromaticContact CD1-CE3 3.74Å; F341-W373 HydrophobicContact CD1-CE3 3.74Å; F341-W373 HydrophobicContact CD1-CG 4.29Å; F341-W373 HydrophobicContact CD1-CZ3 4.41Å; F341-W373 AromaticContact CD2-CE3 3.93Å; F341-W373 HydrophobicContact CD2-CE3 3.93Å; F341-W373 HydrophobicContact CE1-CB 3.73Å; F341-W373 HydrophobicContact CE1-CD2 4.27Å; F341-W373 HydrophobicContact CE1-CE3 4.26Å; F341-W373 HydrophobicContact CE1-CG 4.06Å; F341-W373 HydrophobicContact CE2-CB 4.26Å; F341-W373 HydrophobicContact CE2-CE3 4.42Å; F341-W373 HydrophobicContact CG-CD2 4.3Å; F341-W373 AromaticContact CG-CE3 3.55Å; F341-W373 HydrophobicContact CG-CE3 3.55Å; F341-W373 HydrophobicContact CG-CZ3 4Å; F341-W373 HydrophobicContact CZ-CB 3.67Å; F341-W373 HydrophobicContact CZ-CG 4.43Å; Y369-W373 WeakPolarHBondContact O-CB 3.46Å; Y369-W373 PolarHBondContact O-N 2.96Å; Y371-W373 VanDerWaalsContact C-N 3.28Å; Y371-W373 PolarHBondContact O-N 3.21Å; W373-K375 PolarHBondContact O-N 2.93Å; W373-K375 VanDerWaalsContact O-N 3.16Å; W373-G376 PolarHBondContact O-N 3.26Å
374	S	87.2	Confident	78.3	Confident	85 Å²	85	59.9 Å²	59.9	59%	0.594	33%	0.332	S	S	*	.	H	α-helix	trans	-59.6	-29.4	-178.5	76.8	0	0	0	0	113.7	D370 Y371	D370-S374 WeakPolarHBondContact O-CB 3.43Å; D370-S374 PolarHBondContact O-N 3.29Å; Y371-S374 PolarHBondContact O-N 2.83Å; Y371-S374 VanDerWaalsContact O-N 3.12Å; Y371-S374 PolarHBondContact O-OG 3.11Å
375	K	82.7	Confident	77.3	Confident	81 Å²	81	58 Å²	58	35%	0.352	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4	177.9	-69.1	-65.7	-174.1	117.8	0	114.3	Y371 W373 C377 Q382 D454 E501	Y371-K375 HydrophobicContact CD1-CG 4.2Å; Y371-K375 HydrophobicContact CE1-CG 3.69Å; Y371-K375 HydrophobicContact CE2-CG 4.45Å; Y371-K375 PolarHBondContact O-N 3.37Å; Y371-K375 VanDerWaalsContact O-N 3.08Å; Y371-K375 VanDerWaalsContact OH-CE 3.31Å; Y371-K375 WeakPolarHBondContact OH-CE 3.43Å; Y371-K375 PolarHBondContact OH-NZ 3.27Å; W373-K375 PolarHBondContact O-N 2.93Å; W373-K375 VanDerWaalsContact O-N 3.16Å; K375-C377 VanDerWaalsContact C-N 3.34Å; K375-Q382 PolarHBondContact O-NE2 2.84Å; K375-Q382 VanDerWaalsContact O-NE2 3.07Å; K375-D454 IonicContact NZ-OD2 3.53Å; K375-E501 WeakPolarHBondContact CD-OE1 3.27Å; K375-E501 VanDerWaalsContact CE-OE1 3.26Å; K375-E501 WeakPolarHBondContact CE-OE1 3.39Å; K375-E501 WeakPolarHBondContact CG-OE1 3.4Å; K375-E501 IonicContact NZ-OE1 2.98Å; K375-E501 PolarHBondContact NZ-OE1 3.42Å
376	G	76.1	Confident	76.2	Confident	32 Å²	32	59.6 Å²	59.6	33%	0.33	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	12.8	179.8	0	0	0	0	0	114.9	A372 W373	A372-G376 PolarHBondContact O-N 3.05Å; W373-G376 PolarHBondContact O-N 3.26Å
377	C	65.2	Low	75.2	Confident	38 Å²	38	60.9 Å²	60.9	26%	0.257	35%	0.349	S	S	.	.	S	Bend	trans	-71.8	-31.2	177.3	-55.5	0	0	0	0	112.1	A372 K375 Q382 V432	A372-C377 HydrophobicContact CB-CB 4.4Å; A372-C377 PolarHBondContact O-N 3.46Å; K375-C377 VanDerWaalsContact C-N 3.34Å; C377-Q382 PolarHBondContact SG-OE1 3.31Å; C377-V432 HydrophobicContact CB-CG2 4.47Å
378	G	54.8	Low	74.2	Confident	30 Å²	30	57.5 Å²	57.5	31%	0.309	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-17	-173.8	0	0	0	0	0	116.1	A372	A372-G378 PolarHBondContact O-N 3.27Å
379	G	53.6	Low	73.7	Confident	25 Å²	25	62.2 Å²	62.2	26%	0.258	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	23.4	-169	0	0	0	0	0	115.8	G381	G379-G381 PolarHBondContact O-N 2.94Å
380	G	51.3	Low	73.5	Confident	39 Å²	39	62.6 Å²	62.6	40%	0.402	39%	0.389	S	S	.	.	S	Bend	trans	66.3	0.3	-174.7	0	0	0	0	0	115
381	G	55.3	Low	73.5	Confident	69 Å²	69	61.5 Å²	61.5	71%	0.711	39%	0.387	S	S	*	.	S	Bend	trans	-78.3	-24.8	-173.3	0	0	0	0	0	115.5	G379	G379-G381 PolarHBondContact O-N 2.94Å
382	Q	60.3	Low	73.5	Confident	78 Å²	78	65.1 Å²	65.1	36%	0.364	41%	0.409	S	S	.	.	S	Bend	trans	-93.6	-27.5	178.9	-83.9	-172.5	-0	0	0	114.4	K375 C377 I384 P430	K375-Q382 PolarHBondContact O-NE2 2.84Å; K375-Q382 VanDerWaalsContact O-NE2 3.07Å; C377-Q382 PolarHBondContact SG-OE1 3.31Å; Q382-I384 PolarHBondContact O-N 2.89Å; Q382-I384 VanDerWaalsContact O-N 3.14Å; Q382-P430 HydrophobicContact CB-CG 4.26Å
383	D	68.5	Low	73.6	Confident	51 Å²	51	73.6 Å²	73.6	27%	0.273	45%	0.446	S	S	.	.			trans	-82.3	99.7	178.3	-171.3	0.1	0	0	0	109.6	N385 T386	D383-N385 PolarHBondContact O-N 2.95Å; D383-N385 WeakPolarHBondContact OD1-CB 3.38Å; D383-N385 PolarHBondContact OD1-N 3.13Å; D383-N385 PolarHBondContact OD1-ND2 2.77Å; D383-T386 WeakPolarHBondContact O-CB 3.49Å; D383-T386 PolarHBondContact O-N 2.74Å; D383-T386 PolarHBondContact O-OG1 3.13Å
384	I	73	Confident	73.8	Confident	22 Å²	22	73.6 Å²	73.6	11%	0.113	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-57.3	-22.4	177.5	-166.4	160	0	0	0	112.9	Q382 T386 I387 K395 L398 A399 L426	Q382-I384 PolarHBondContact O-N 2.89Å; Q382-I384 VanDerWaalsContact O-N 3.14Å; I384-T386 PolarHBondContact O-N 3.44Å; I384-I387 HydrophobicContact CG1-CD1 3.97Å; I384-I387 HydrophobicContact CG1-CG1 4.45Å; I384-I387 WeakPolarHBondContact O-CB 3.42Å; I384-I387 PolarHBondContact O-N 3.49Å; I384-K395 HydrophobicContact CD1-CB 4.28Å; I384-K395 WeakPolarHBondContact CD1-O 3.43Å; I384-K395 HydrophobicContact CG1-CB 4.36Å; I384-K395 HydrophobicContact CG1-CG 4.45Å; I384-L398 HydrophobicContact CD1-CB 3.83Å; I384-L398 HydrophobicContact CD1-CD2 3.89Å; I384-L398 HydrophobicContact CD1-CG 3.81Å; I384-A399 HydrophobicContact CD1-CB 3.85Å; I384-A399 HydrophobicContact CG2-CB 4.3Å; I384-L426 HydrophobicContact CG2-CD2 3.68Å
385	N	71.6	Confident	73.9	Confident	71 Å²	71	70.4 Å²	70.4	38%	0.38	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-67	-20.5	175.5	-61.5	-54.9	0	0	0	112.4	D383 I387 L426	D383-N385 PolarHBondContact O-N 2.95Å; D383-N385 WeakPolarHBondContact OD1-CB 3.38Å; D383-N385 PolarHBondContact OD1-N 3.13Å; D383-N385 PolarHBondContact OD1-ND2 2.77Å; N385-I387 PolarHBondContact O-N 3.49Å; N385-L426 PolarHBondContact ND2-O 2.97Å; N385-L426 PolarHBondContact OD1-O 2.84Å
386	T	71	Confident	74.3	Confident	86 Å²	86	67.3 Å²	67.3	53%	0.528	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-69.4	-22.5	172.6	-46.4	0	0	0	0	112.1	D383 I384 G388	D383-T386 WeakPolarHBondContact O-CB 3.49Å; D383-T386 PolarHBondContact O-N 2.74Å; D383-T386 PolarHBondContact O-OG1 3.13Å; I384-T386 PolarHBondContact O-N 3.44Å; T386-G388 PolarHBondContact O-N 3.41Å
387	I	73.4	Confident	75	Confident	79 Å²	79	71 Å²	71	41%	0.405	42%	0.424	S	S	.	.			trans	-72.5	93.4	177.9	-53	-175.1	0	0	0	108.7	I384 N385 L390 K395 L398	I384-I387 HydrophobicContact CG1-CD1 3.97Å; I384-I387 HydrophobicContact CG1-CG1 4.45Å; I384-I387 WeakPolarHBondContact O-CB 3.42Å; I384-I387 PolarHBondContact O-N 3.49Å; N385-I387 PolarHBondContact O-N 3.49Å; I387-L390 HydrophobicContact CG2-CB 3.93Å; I387-L390 HydrophobicContact CG2-CD2 4.44Å; I387-K395 WeakPolarHBondContact O-CE 3.48Å; I387-K395 PolarHBondContact O-NZ 3.16Å; I387-L398 HydrophobicContact CD1-CD2 4.13Å
388	G	71.1	Confident	76.2	Confident	59 Å²	59	72.4 Å²	72.4	61%	0.608	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-75.6	-170.1	0	0	0	0	0	115	T386 L390 K395	T386-G388 PolarHBondContact O-N 3.41Å; G388-L390 PolarHBondContact O-N 3.01Å; G388-K395 PolarHBondContact O-NZ 3.29Å
389	L	83.1	Confident	77.8	Confident	185 Å²	185	71.2 Å²	71.2	97%	0.969	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.1	-165.7	-73	163.4	0	0	0	115.9
390	L	88.4	Confident	79.4	Confident	47 Å²	47	70.8 Å²	70.8	25%	0.246	41%	0.408	C	S	.	.	S	Bend	trans	-80.4	127.3	-175.6	-166.9	67	0	0	0	110.4	I387 G388 L394 K395 L398	I387-L390 HydrophobicContact CG2-CB 3.93Å; I387-L390 HydrophobicContact CG2-CD2 4.44Å; G388-L390 PolarHBondContact O-N 3.01Å; L390-L394 HydrophobicContact CD1-CB 3.78Å; L390-L394 HydrophobicContact CD1-CD1 3.99Å; L390-L394 HydrophobicContact CD2-CB 4.27Å; L390-L394 HydrophobicContact CG-CB 3.89Å; L390-K395 HydrophobicContact CB-CG 3.9Å; L390-K395 HydrophobicContact CD2-CB 4.47Å; L390-K395 HydrophobicContact CD2-CG 3.76Å; L390-K395 HydrophobicContact CG-CG 3.9Å; L390-K395 WeakPolarHBondContact O-CD 3.33Å; L390-K395 WeakPolarHBondContact O-CE 3.44Å; L390-K395 PolarHBondContact O-NZ 3.5Å; L390-L398 HydrophobicContact CD2-CD2 4.11Å
391	P	90.7	Very high	81.1	Confident	79 Å²	79	74.7 Å²	74.7	51%	0.513	42%	0.42	S	S	.	.			trans	-61	147	174.7	-23.2	33.4	0	0	0	112.6	K393 L394 K395	P391-K393 VanDerWaalsContact C-N 3.29Å; P391-K393 PolarHBondContact O-N 2.86Å; P391-L394 HydrophobicContact CG-CD1 4.49Å; P391-L394 PolarHBondContact O-N 2.9Å; P391-K395 PolarHBondContact O-N 3.45Å
392	D	89.5	Confident	82.5	Confident	109 Å²	109	76.4 Å²	76.4	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-54.6	-40.7	-175.3	-63	-13.7	0	0	0	113.3	L394 K395 T396 L426	D392-L394 VanDerWaalsContact C-N 3.31Å; D392-L394 PolarHBondContact O-N 3.35Å; D392-K395 WeakPolarHBondContact O-CB 3.24Å; D392-K395 PolarHBondContact O-N 3.09Å; D392-K395 VanDerWaalsContact O-N 3.14Å; D392-T396 PolarHBondContact O-N 2.95Å; D392-T396 PolarHBondContact O-OG1 2.92Å; D392-L426 HydrophobicContact CB-CD1 4.33Å
393	K	90.5	Very high	83.5	Confident	179 Å²	179	74.9 Å²	74.9	78%	0.778	41%	0.41	S	S	*	.	H	α-helix	trans	-57.5	-43.1	176.3	-64.2	-173.1	179	-173.1	0	112.6	P391 E397	P391-K393 VanDerWaalsContact C-N 3.29Å; P391-K393 PolarHBondContact O-N 2.86Å; K393-E397 WeakPolarHBondContact O-CG 3.5Å; K393-E397 PolarHBondContact O-N 3.44Å
394	L	91.6	Very high	84.2	Confident	101 Å²	101	75.3 Å²	75.3	53%	0.529	41%	0.413	S	S	.	.	H	α-helix	trans	-76.2	-31.3	178.5	-69.8	176.8	0	0	0	111.9	L390 P391 D392 L398	L390-L394 HydrophobicContact CD1-CB 3.78Å; L390-L394 HydrophobicContact CD1-CD1 3.99Å; L390-L394 HydrophobicContact CD2-CB 4.27Å; L390-L394 HydrophobicContact CG-CB 3.89Å; P391-L394 HydrophobicContact CG-CD1 4.49Å; P391-L394 PolarHBondContact O-N 2.9Å; D392-L394 VanDerWaalsContact C-N 3.31Å; D392-L394 PolarHBondContact O-N 3.35Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.49Å
395	K	90.9	Very high	84.6	Confident	19 Å²	19	80.1 Å²	80.1	8%	0.083	44%	0.435	C	S	.	.	H	α-helix	trans	-60.9	-48.3	170	-72.1	175.6	166.4	166.4	0	110.6	I384 I387 G388 L390 P391 D392 E397 L398 A399 L426	I384-K395 HydrophobicContact CD1-CB 4.28Å; I384-K395 WeakPolarHBondContact CD1-O 3.43Å; I384-K395 HydrophobicContact CG1-CB 4.36Å; I384-K395 HydrophobicContact CG1-CG 4.45Å; I387-K395 WeakPolarHBondContact O-CE 3.48Å; I387-K395 PolarHBondContact O-NZ 3.16Å; G388-K395 PolarHBondContact O-NZ 3.29Å; L390-K395 HydrophobicContact CB-CG 3.9Å; L390-K395 HydrophobicContact CD2-CB 4.47Å; L390-K395 HydrophobicContact CD2-CG 3.76Å; L390-K395 HydrophobicContact CG-CG 3.9Å; L390-K395 WeakPolarHBondContact O-CD 3.33Å; L390-K395 WeakPolarHBondContact O-CE 3.44Å; L390-K395 PolarHBondContact O-NZ 3.5Å; P391-K395 PolarHBondContact O-N 3.45Å; D392-K395 WeakPolarHBondContact O-CB 3.24Å; D392-K395 PolarHBondContact O-N 3.09Å; D392-K395 VanDerWaalsContact O-N 3.14Å; K395-E397 PolarHBondContact O-N 2.98Å; K395-L398 PolarHBondContact O-N 2.94Å; K395-A399 WeakPolarHBondContact O-CB 3.47Å; K395-A399 PolarHBondContact O-N 3.43Å; K395-L426 HydrophobicContact CB-CD1 4.07Å; K395-L426 HydrophobicContact CB-CD2 3.8Å
396	T	90.7	Very high	85.1	Confident	15 Å²	15	78.3 Å²	78.3	9%	0.092	43%	0.426	C	S	.	.	H	α-helix	trans	-56.5	-50.9	178.9	-58.4	0	0	0	0	110.8	D392 L398 A399 L400 H422 V425 L426	D392-T396 PolarHBondContact O-N 2.95Å; D392-T396 PolarHBondContact O-OG1 2.92Å; T396-L398 VanDerWaalsContact C-N 3.33Å; T396-L398 PolarHBondContact O-N 3.19Å; T396-A399 PolarHBondContact O-N 3.48Å; T396-L400 HydrophobicContact CG2-CD1 4.07Å; T396-L400 VanDerWaalsContact O-CG 3.25Å; T396-L400 WeakPolarHBondContact O-CG 3.16Å; T396-L400 PolarHBondContact O-N 2.96Å; T396-H422 HydrophobicContact CG2-CB 3.88Å; T396-H422 VanDerWaalsContact CG2-ND1 3.29Å; T396-H422 WeakPolarHBondContact CG2-ND1 3.47Å; T396-H422 WeakPolarHBondContact CG2-O 3.43Å; T396-V425 HydrophobicContact CG2-CG1 3.7Å; T396-L426 VanDerWaalsContact OG1-CD1 3.25Å; T396-L426 WeakPolarHBondContact OG1-CD1 3.36Å
397	E	91.3	Very high	85.8	Confident	110 Å²	110	74.4 Å²	74.4	51%	0.514	40%	0.402	S	S	.	.	H	α-helix	trans	-58.3	-43.3	177.4	-68.8	-64.2	153.3	0	0	112.5	K393 K395 L400 N401 H422	K393-E397 WeakPolarHBondContact O-CG 3.5Å; K393-E397 PolarHBondContact O-N 3.44Å; K395-E397 PolarHBondContact O-N 2.98Å; E397-L400 PolarHBondContact O-N 2.99Å; E397-N401 WeakPolarHBondContact O-CB 3.42Å; E397-N401 PolarHBondContact O-N 3.1Å; E397-H422 IonicContact OE1-CE1 3.79Å; E397-H422 PolarHBondContact OE1-CE1 2.88Å
398	L	89.5	Confident	86.2	Confident	67 Å²	67	75.7 Å²	75.7	35%	0.351	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-43.4	177.4	178.4	62.4	0	0	0	111.7	I384 I387 L390 L394 K395 T396 L400 N401 V402	I384-L398 HydrophobicContact CD1-CB 3.83Å; I384-L398 HydrophobicContact CD1-CD2 3.89Å; I384-L398 HydrophobicContact CD1-CG 3.81Å; I387-L398 HydrophobicContact CD1-CD2 4.13Å; L390-L398 HydrophobicContact CD2-CD2 4.11Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.49Å; K395-L398 PolarHBondContact O-N 2.94Å; T396-L398 VanDerWaalsContact C-N 3.33Å; T396-L398 PolarHBondContact O-N 3.19Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.3Å; L398-N401 PolarHBondContact O-N 3.24Å; L398-V402 HydrophobicContact CD1-CG2 4.1Å; L398-V402 HydrophobicContact CG-CG2 4.46Å; L398-V402 VanDerWaalsContact O-CG2 3.28Å; L398-V402 WeakPolarHBondContact O-CG2 3.36Å; L398-V402 PolarHBondContact O-N 2.97Å
399	A	88	Confident	86.9	Confident	5 Å²	5	78.9 Å²	78.9	4%	0.041	40%	0.402	C	S	.	.	H	α-helix	trans	-60	-44	177.6	0	0	0	0	0	111.5	I384 K395 T396 V402 N403 V425 L426	I384-A399 HydrophobicContact CD1-CB 3.85Å; I384-A399 HydrophobicContact CG2-CB 4.3Å; K395-A399 WeakPolarHBondContact O-CB 3.47Å; K395-A399 PolarHBondContact O-N 3.43Å; T396-A399 PolarHBondContact O-N 3.48Å; A399-V402 PolarHBondContact O-N 3.43Å; A399-N403 PolarHBondContact O-N 2.89Å; A399-V425 HydrophobicContact CB-CG1 4.29Å; A399-V425 HydrophobicContact CB-CG2 3.69Å; A399-L426 HydrophobicContact CB-CD2 4.15Å
400	L	87.8	Confident	86.9	Confident	17 Å²	17	70 Å²	70	9%	0.089	36%	0.355	C	S	.	.	H	α-helix	trans	-63.6	-42.5	177.5	-69.5	172.3	0	0	0	111.4	T396 E397 L398 L404 L407 L421 H422 V425	T396-L400 HydrophobicContact CG2-CD1 4.07Å; T396-L400 VanDerWaalsContact O-CG 3.25Å; T396-L400 WeakPolarHBondContact O-CG 3.16Å; T396-L400 PolarHBondContact O-N 2.96Å; E397-L400 PolarHBondContact O-N 2.99Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.3Å; L400-L404 WeakPolarHBondContact O-CA 3.28Å; L400-L404 VanDerWaalsContact O-CB 3.23Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 PolarHBondContact O-N 2.97Å; L400-L407 HydrophobicContact CD2-CD1 4.11Å; L400-L421 HydrophobicContact CD2-CD2 3.62Å; L400-L421 HydrophobicContact CD2-CG 3.65Å; L400-H422 WeakPolarHBondContact CD1-CE1 3.36Å; L400-H422 WeakPolarHBondContact CD1-ND1 3.37Å; L400-V425 HydrophobicContact CD2-CB 4.22Å; L400-V425 HydrophobicContact CD2-CG1 4.25Å; L400-V425 HydrophobicContact CD2-CG2 4.09Å; L400-V425 HydrophobicContact CG-CG1 4.31Å
401	N	87.3	Confident	86.5	Confident	120 Å²	120	70.7 Å²	70.7	64%	0.642	36%	0.361	S	S	*	.	H	α-helix	trans	-69.3	-36.3	-179.6	-164	30.8	0	0	0	112.5	E397 L398	E397-N401 WeakPolarHBondContact O-CB 3.42Å; E397-N401 PolarHBondContact O-N 3.1Å; L398-N401 PolarHBondContact O-N 3.24Å
402	V	84.1	Confident	86	Confident	105 Å²	105	67.3 Å²	67.3	64%	0.636	34%	0.339	S	S	*	.	H	α-helix	trans	-69.4	-44.9	177.7	172.1	0	0	0	0	111.4	L398 A399	L398-V402 HydrophobicContact CD1-CG2 4.1Å; L398-V402 HydrophobicContact CG-CG2 4.46Å; L398-V402 VanDerWaalsContact O-CG2 3.28Å; L398-V402 WeakPolarHBondContact O-CG2 3.36Å; L398-V402 PolarHBondContact O-N 2.97Å; A399-V402 PolarHBondContact O-N 3.43Å
403	N	81.5	Confident	85.7	Confident	46 Å²	46	63.3 Å²	63.3	25%	0.246	32%	0.316	C	S	.	.	S	Bend	trans	-97.9	14.9	-175.1	-65.1	-42.8	0	0	0	113.5	A399 E405 T406 L407	A399-N403 PolarHBondContact O-N 2.89Å; N403-E405 VanDerWaalsContact C-N 3.29Å; N403-E405 PolarHBondContact O-N 3.49Å; N403-T406 PolarHBondContact O-N 3.32Å; N403-T406 VanDerWaalsContact O-N 3.1Å; N403-L407 HydrophobicContact CB-CD1 3.84Å; N403-L407 HydrophobicContact CB-CG 4.05Å; N403-L407 WeakPolarHBondContact O-CG 3.44Å; N403-L407 PolarHBondContact O-N 3.21Å
404	L	82.7	Confident	85.3	Confident	61 Å²	61	61 Å²	61	32%	0.319	31%	0.308	S	S	.	.	H	α-helix	trans	-56.2	-43	-169.2	-169.3	61.6	0	0	0	112.4	L400 T406 K408	L400-L404 WeakPolarHBondContact O-CA 3.28Å; L400-L404 VanDerWaalsContact O-CB 3.23Å; L400-L404 WeakPolarHBondContact O-CB 3.49Å; L400-L404 PolarHBondContact O-N 2.97Å; L404-T406 VanDerWaalsContact C-N 3.34Å; L404-T406 PolarHBondContact O-N 3.1Å; L404-K408 HydrophobicContact CD1-CD 4.29Å; L404-K408 HydrophobicContact CD1-CG 4.23Å; L404-K408 HydrophobicContact CG-CD 3.96Å; L404-K408 VanDerWaalsContact CG-CE 3.49Å; L404-K408 HydrophobicContact CG-CG 4.33Å; L404-K408 WeakPolarHBondContact O-CB 3.12Å; L404-K408 WeakPolarHBondContact O-CG 3.35Å; L404-K408 PolarHBondContact O-N 3.04Å
405	E	82.4	Confident	84.9	Confident	123 Å²	123	61 Å²	61	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-69	-32	-177.5	-64.5	-53.2	126	0	0	113.3	N403 K408 K409	N403-E405 VanDerWaalsContact C-N 3.29Å; N403-E405 PolarHBondContact O-N 3.49Å; E405-K408 IonicContact OE1-NZ 3.52Å; E405-K409 WeakPolarHBondContact O-CD 3.49Å; E405-K409 WeakPolarHBondContact O-CE 3.38Å; E405-K409 WeakPolarHBondContact O-CG 3.36Å
406	T	82.4	Confident	84.7	Confident	32 Å²	32	60.6 Å²	60.6	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-77.8	-48	176.4	-57.2	0	0	0	0	110.3	N403 L404 K408 K409 V410 A453 F503	N403-T406 PolarHBondContact O-N 3.32Å; N403-T406 VanDerWaalsContact O-N 3.1Å; L404-T406 VanDerWaalsContact C-N 3.34Å; L404-T406 PolarHBondContact O-N 3.1Å; T406-K408 VanDerWaalsContact C-N 3.33Å; T406-K408 PolarHBondContact O-N 3.49Å; T406-K409 PolarHBondContact O-N 3Å; T406-K409 VanDerWaalsContact O-N 3.07Å; T406-V410 WeakPolarHBondContact O-CG2 3.44Å; T406-A453 HydrophobicContact CG2-CB 3.73Å; T406-F503 HydrophobicContact CG2-CE2 4.15Å
407	L	84.4	Confident	84.6	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-34.4	-177.8	-63.8	173.8	0	0	0	112	L400 N403 K409 V410 F413 L421 V425 M428	L400-L407 HydrophobicContact CD2-CD1 4.11Å; N403-L407 HydrophobicContact CB-CD1 3.84Å; N403-L407 HydrophobicContact CB-CG 4.05Å; N403-L407 WeakPolarHBondContact O-CG 3.44Å; N403-L407 PolarHBondContact O-N 3.21Å; L407-K409 PolarHBondContact O-N 3.11Å; L407-V410 PolarHBondContact O-N 3.16Å; L407-F413 HydrophobicContact CB-CD2 4.43Å; L407-F413 HydrophobicContact CD2-CD2 4.2Å; L407-F413 HydrophobicContact CD2-CE2 3.72Å; L407-L421 HydrophobicContact CB-CD2 4.25Å; L407-L421 HydrophobicContact CD1-CD1 4.2Å; L407-L421 HydrophobicContact CD1-CD2 4.25Å; L407-L421 HydrophobicContact CD2-CD1 4.13Å; L407-V425 HydrophobicContact CD1-CG2 4.12Å; L407-M428 HydrophobicContact CD2-SD 4.48Å
408	K	82.5	Confident	84.5	Confident	106 Å²	106	64.8 Å²	64.8	46%	0.461	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.2	172.3	-81.6	177.9	179.3	167.4	0	114.5	L404 E405 T406 H414	L404-K408 HydrophobicContact CD1-CD 4.29Å; L404-K408 HydrophobicContact CD1-CG 4.23Å; L404-K408 HydrophobicContact CG-CD 3.96Å; L404-K408 VanDerWaalsContact CG-CE 3.49Å; L404-K408 HydrophobicContact CG-CG 4.33Å; L404-K408 WeakPolarHBondContact O-CB 3.12Å; L404-K408 WeakPolarHBondContact O-CG 3.35Å; L404-K408 PolarHBondContact O-N 3.04Å; E405-K408 IonicContact OE1-NZ 3.52Å; T406-K408 VanDerWaalsContact C-N 3.33Å; T406-K408 PolarHBondContact O-N 3.49Å; K408-H414 PolarHBondContact O-CE1 2.93Å; K408-H414 PolarHBondContact O-NE2 3.13Å
409	K	84.7	Confident	84.5	Confident	125 Å²	125	65.9 Å²	65.9	54%	0.543	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-17	176.5	-70	169.9	-173.6	175.3	0	112.1	E405 T406 L407 T411	E405-K409 WeakPolarHBondContact O-CD 3.49Å; E405-K409 WeakPolarHBondContact O-CE 3.38Å; E405-K409 WeakPolarHBondContact O-CG 3.36Å; T406-K409 PolarHBondContact O-N 3Å; T406-K409 VanDerWaalsContact O-N 3.07Å; L407-K409 PolarHBondContact O-N 3.11Å; K409-T411 PolarHBondContact O-N 2.86Å
410	V	85.1	Confident	84.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.327	C	S	.	.			trans	-77.8	115.3	-173.2	-160.8	0	0	0	0	109.7	T406 L407 I412 F413 I451 G473 F475	T406-V410 WeakPolarHBondContact O-CG2 3.44Å; L407-V410 PolarHBondContact O-N 3.16Å; V410-I412 HydrophobicContact CB-CG2 4.13Å; V410-I412 HydrophobicContact CG1-CB 4.48Å; V410-I412 HydrophobicContact CG1-CG2 3.35Å; V410-I412 PolarHBondContact O-N 3.37Å; V410-I412 VanDerWaalsContact O-N 3.1Å; V410-F413 HydrophobicContact CB-CD2 3.59Å; V410-F413 HydrophobicContact CB-CE2 3.91Å; V410-F413 HydrophobicContact CB-CG 4.41Å; V410-F413 HydrophobicContact CG1-CD2 4.17Å; V410-F413 HydrophobicContact CG1-CE2 4.12Å; V410-F413 HydrophobicContact CG2-CD2 3.92Å; V410-F413 HydrophobicContact CG2-CE2 3.94Å; V410-F413 PolarHBondContact O-N 2.9Å; V410-I451 HydrophobicContact CG1-CG2 4.11Å; V410-I451 HydrophobicContact CG2-CG2 3.7Å; V410-G473 VanDerWaalsContact CA-O 3.26Å; V410-G473 WeakPolarHBondContact CA-O 3.47Å; V410-G473 VanDerWaalsContact CG1-O 3.32Å; V410-G473 WeakPolarHBondContact CG1-O 3.18Å; V410-F475 HydrophobicContact CG1-CD1 4.19Å
411	T	78.8	Confident	84.8	Confident	60 Å²	60	66.1 Å²	66.1	37%	0.368	33%	0.33	S	S	.	.	H	α-helix	trans	-56.7	-33.3	-173	62	0	0	0	0	113.2	K409 F413 H414	K409-T411 PolarHBondContact O-N 2.86Å; T411-F413 PolarHBondContact O-N 3.31Å; T411-H414 PolarHBondContact O-N 2.84Å
412	I	80.4	Confident	84.9	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.046	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-41.5	177.3	-169.7	-179.9	0	0	0	112.6	V410 H414 E415 C416 F475 I524	V410-I412 HydrophobicContact CB-CG2 4.13Å; V410-I412 HydrophobicContact CG1-CB 4.48Å; V410-I412 HydrophobicContact CG1-CG2 3.35Å; V410-I412 PolarHBondContact O-N 3.37Å; V410-I412 VanDerWaalsContact O-N 3.1Å; I412-H414 PolarHBondContact O-N 2.88Å; I412-E415 PolarHBondContact O-N 3Å; I412-C416 PolarHBondContact O-N 3.1Å; I412-C416 PolarHBondContact O-SG 3.14Å; I412-F475 HydrophobicContact CB-CD1 4.11Å; I412-F475 HydrophobicContact CB-CE1 3.72Å; I412-F475 HydrophobicContact CB-CZ 4.2Å; I412-F475 HydrophobicContact CD1-CE1 4.42Å; I412-F475 HydrophobicContact CD1-CE2 4.27Å; I412-F475 HydrophobicContact CD1-CZ 4.16Å; I412-F475 HydrophobicContact CG1-CE1 4.46Å; I412-F475 HydrophobicContact CG1-CZ 4.46Å; I412-F475 HydrophobicContact CG2-CD1 4.16Å; I412-F475 HydrophobicContact CG2-CE1 4.29Å; I412-I524 HydrophobicContact CD1-CD1 3.54Å; I412-I524 HydrophobicContact CD1-CG1 3.33Å; I412-I524 HydrophobicContact CG1-CG1 3.94Å
413	F	83.1	Confident	85.2	Confident	25 Å²	25	61.7 Å²	61.7	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-78.4	-11.2	-175.4	-58.6	-40.2	0	0	0	112.6	L407 V410 T411 F420 L421 I424 M428 I451	L407-F413 HydrophobicContact CB-CD2 4.43Å; L407-F413 HydrophobicContact CD2-CD2 4.2Å; L407-F413 HydrophobicContact CD2-CE2 3.72Å; V410-F413 HydrophobicContact CB-CD2 3.59Å; V410-F413 HydrophobicContact CB-CE2 3.91Å; V410-F413 HydrophobicContact CB-CG 4.41Å; V410-F413 HydrophobicContact CG1-CD2 4.17Å; V410-F413 HydrophobicContact CG1-CE2 4.12Å; V410-F413 HydrophobicContact CG2-CD2 3.92Å; V410-F413 HydrophobicContact CG2-CE2 3.94Å; V410-F413 PolarHBondContact O-N 2.9Å; T411-F413 PolarHBondContact O-N 3.31Å; F413-F420 HydrophobicContact CD1-CD1 4.24Å; F413-F420 HydrophobicContact CD1-CE1 4.25Å; F413-F420 HydrophobicContact CE1-CD1 4.27Å; F413-F420 AromaticContact CE1-CE1 3.91Å; F413-F420 HydrophobicContact CE1-CE1 3.91Å; F413-L421 HydrophobicContact CD1-CD1 3.97Å; F413-L421 HydrophobicContact CD2-CD1 3.9Å; F413-L421 HydrophobicContact CE1-CD1 3.89Å; F413-L421 HydrophobicContact CE2-CD1 3.8Å; F413-L421 HydrophobicContact CG-CD1 4.02Å; F413-L421 HydrophobicContact CZ-CD1 3.81Å; F413-I424 HydrophobicContact CE1-CD1 3.49Å; F413-I424 VanDerWaalsContact CE1-CD1 3.49Å; F413-I424 HydrophobicContact CZ-CD1 3.87Å; F413-M428 HydrophobicContact CE2-CE 4.43Å; F413-M428 HydrophobicContact CZ-CE 3.72Å; F413-I451 HydrophobicContact CE2-CD1 4.02Å; F413-I451 HydrophobicContact CZ-CD1 3.68Å
414	H	82.5	Confident	85.7	Confident	130 Å²	130	59.6 Å²	59.6	60%	0.602	29%	0.289	S	S	*	.	H	α-helix	trans	-80.8	-32	170.5	-68.9	-49.2	0	0	0	113.5	K408 T411 I412	K408-H414 PolarHBondContact O-CE1 2.93Å; K408-H414 PolarHBondContact O-NE2 3.13Å; T411-H414 PolarHBondContact O-N 2.84Å; I412-H414 PolarHBondContact O-N 2.88Å
415	E	83.4	Confident	86	Confident	100 Å²	100	57.1 Å²	57.1	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-87.2	-19.8	179.6	-67.8	-170.7	-155.9	0	0	112.3	I412 V523 H527	I412-E415 PolarHBondContact O-N 3Å; E415-V523 HydrophobicContact CB-CG1 3.78Å; E415-V523 HydrophobicContact CB-CG2 3.94Å; E415-H527 IonicContact OE1-NE2 3.86Å
416	C	86.6	Confident	86.4	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.081	26%	0.255	C	S	.	.	S	Bend	trans	-93	156.8	178.2	-60.4	0	0	0	0	112.6	I412 F420 A520	I412-C416 PolarHBondContact O-N 3.1Å; I412-C416 PolarHBondContact O-SG 3.14Å; C416-F420 HydrophobicContact CB-CB 4.36Å; C416-F420 HydrophobicContact CB-CD1 3.94Å; C416-F420 HydrophobicContact CB-CG 4.47Å; C416-A520 HydrophobicContact CB-CB 4.29Å; C416-A520 VanDerWaalsContact SG-CA 3.56Å; C416-A520 VanDerWaalsContact SG-CB 3.52Å
417	R	88.8	Confident	86.8	Confident	124 Å²	124	53.8 Å²	53.8	47%	0.468	26%	0.258	S	S	.	.			trans	-67.2	149.8	171.5	-52.7	-176.9	-55.6	153.2	8.6	111.5	E419 F420 H517 D519	R417-E419 WeakPolarHBondContact CB-OE2 3.31Å; R417-E419 IonicContact CZ-OE2 2.73Å; R417-E419 IonicContact NE-OE2 2.68Å; R417-E419 PolarHBondContact O-N 3.47Å; R417-E419 VanDerWaalsContact O-N 3.14Å; R417-F420 WeakPolarHBondContact O-CB 3.48Å; R417-F420 PolarHBondContact O-N 3Å; R417-F420 VanDerWaalsContact O-N 3.13Å; R417-H517 PolarHBondContact NH2-CE1 2.6Å; R417-H517 PolarHBondContact NH2-ND1 3.4Å; R417-D519 WeakPolarHBondContact CG-OD2 3.26Å; R417-D519 IonicContact NE-OD2 3.9Å
418	P	88.1	Confident	87	Confident	88 Å²	88	54.2 Å²	54.2	57%	0.571	26%	0.26	S	S	*	.	H	α-helix	trans	-54.8	-34.6	179.9	-25.9	34.9	0	0	0	113.7	F420 L421 H422	P418-F420 PolarHBondContact O-N 2.91Å; P418-L421 WeakPolarHBondContact O-CB 3.5Å; P418-L421 PolarHBondContact O-N 2.92Å; P418-H422 PolarHBondContact O-CD2 3.19Å; P418-H422 VanDerWaalsContact O-CD2 3.25Å; P418-H422 PolarHBondContact O-N 3.02Å; P418-H422 VanDerWaalsContact O-N 3.15Å
419	E	89.6	Confident	87.3	Confident	90 Å²	90	55.9 Å²	55.9	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-58.4	-33	-178.3	-61.3	77.2	-166.5	0	0	112.5	R417 L421 H422 D423	R417-E419 WeakPolarHBondContact CB-OE2 3.31Å; R417-E419 IonicContact CZ-OE2 2.73Å; R417-E419 IonicContact NE-OE2 2.68Å; R417-E419 PolarHBondContact O-N 3.47Å; R417-E419 VanDerWaalsContact O-N 3.14Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.29Å; E419-H422 PolarHBondContact O-N 3.4Å; E419-D423 PolarHBondContact O-N 3.06Å; E419-D423 VanDerWaalsContact O-N 3.15Å
420	F	91.5	Very high	87.5	Confident	1 Å²	1	52 Å²	52	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-43.8	174.7	174.1	-115.1	0	0	0	111.2	F413 C416 R417 P418 D423 I424 A513 L514 H517 A520 I524	F413-F420 HydrophobicContact CD1-CD1 4.24Å; F413-F420 HydrophobicContact CD1-CE1 4.25Å; F413-F420 HydrophobicContact CE1-CD1 4.27Å; F413-F420 AromaticContact CE1-CE1 3.91Å; F413-F420 HydrophobicContact CE1-CE1 3.91Å; C416-F420 HydrophobicContact CB-CB 4.36Å; C416-F420 HydrophobicContact CB-CD1 3.94Å; C416-F420 HydrophobicContact CB-CG 4.47Å; R417-F420 WeakPolarHBondContact O-CB 3.48Å; R417-F420 PolarHBondContact O-N 3Å; R417-F420 VanDerWaalsContact O-N 3.13Å; P418-F420 PolarHBondContact O-N 2.91Å; F420-D423 PolarHBondContact O-N 3.22Å; F420-I424 HydrophobicContact CD1-CD1 4.08Å; F420-I424 HydrophobicContact CE1-CD1 3.64Å; F420-I424 HydrophobicContact CE2-CD1 4.39Å; F420-I424 HydrophobicContact CE2-CG2 4.13Å; F420-I424 HydrophobicContact CZ-CD1 3.81Å; F420-I424 HydrophobicContact CZ-CG2 4.42Å; F420-I424 WeakPolarHBondContact O-CG1 3.24Å; F420-I424 PolarHBondContact O-N 3.37Å; F420-A513 HydrophobicContact CD2-CB 4.44Å; F420-A513 HydrophobicContact CE2-CB 4.04Å; F420-L514 HydrophobicContact CE2-CD2 3.79Å; F420-L514 HydrophobicContact CE2-CG 4.43Å; F420-L514 HydrophobicContact CZ-CD2 3.98Å; F420-H517 HydrophobicContact CB-CB 4.36Å; F420-H517 HydrophobicContact CD2-CB 4.03Å; F420-A520 HydrophobicContact CB-CB 4.43Å; F420-A520 HydrophobicContact CD1-CB 3.92Å; F420-A520 HydrophobicContact CD2-CB 3.73Å; F420-A520 HydrophobicContact CE1-CB 4.04Å; F420-A520 HydrophobicContact CE2-CB 3.87Å; F420-A520 HydrophobicContact CG-CB 3.76Å; F420-A520 HydrophobicContact CZ-CB 4.02Å; F420-I524 HydrophobicContact CZ-CD1 4.32Å
421	L	90.8	Very high	87.7	Confident	26 Å²	26	55.2 Å²	55.2	14%	0.136	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-39.2	178.2	-176.4	60.9	0	0	0	111.5	L400 L407 F413 P418 E419 D423 I424 V425	L400-L421 HydrophobicContact CD2-CD2 3.62Å; L400-L421 HydrophobicContact CD2-CG 3.65Å; L407-L421 HydrophobicContact CB-CD2 4.25Å; L407-L421 HydrophobicContact CD1-CD1 4.2Å; L407-L421 HydrophobicContact CD1-CD2 4.25Å; L407-L421 HydrophobicContact CD2-CD1 4.13Å; F413-L421 HydrophobicContact CD1-CD1 3.97Å; F413-L421 HydrophobicContact CD2-CD1 3.9Å; F413-L421 HydrophobicContact CE1-CD1 3.89Å; F413-L421 HydrophobicContact CE2-CD1 3.8Å; F413-L421 HydrophobicContact CG-CD1 4.02Å; F413-L421 HydrophobicContact CZ-CD1 3.81Å; P418-L421 WeakPolarHBondContact O-CB 3.5Å; P418-L421 PolarHBondContact O-N 2.92Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 3.29Å; L421-D423 VanDerWaalsContact C-N 3.26Å; L421-D423 PolarHBondContact O-N 3.42Å; L421-I424 HydrophobicContact CD1-CD1 4.37Å; L421-I424 HydrophobicContact CD1-CG1 4.33Å; L421-I424 PolarHBondContact O-N 3.28Å; L421-V425 WeakPolarHBondContact O-CB 3.31Å; L421-V425 PolarHBondContact O-N 3.47Å
422	H	90.7	Very high	88.3	Confident	64 Å²	64	52.8 Å²	52.8	30%	0.296	25%	0.253	S	S	.	.	H	α-helix	trans	-58.9	-35.3	175.1	-78.7	-96.7	0	0	0	112.6	T396 E397 L400 P418 E419	T396-H422 HydrophobicContact CG2-CB 3.88Å; T396-H422 VanDerWaalsContact CG2-ND1 3.29Å; T396-H422 WeakPolarHBondContact CG2-ND1 3.47Å; T396-H422 WeakPolarHBondContact CG2-O 3.43Å; E397-H422 IonicContact OE1-CE1 3.79Å; E397-H422 PolarHBondContact OE1-CE1 2.88Å; L400-H422 WeakPolarHBondContact CD1-CE1 3.36Å; L400-H422 WeakPolarHBondContact CD1-ND1 3.37Å; P418-H422 PolarHBondContact O-CD2 3.19Å; P418-H422 VanDerWaalsContact O-CD2 3.25Å; P418-H422 PolarHBondContact O-N 3.02Å; P418-H422 VanDerWaalsContact O-N 3.15Å; E419-H422 PolarHBondContact O-N 3.4Å
423	D	89.9	Confident	88.9	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-79.7	-20.8	-177.1	-75.8	-13.2	0	0	0	114.4	E419 F420 L421 K427 H517	E419-D423 PolarHBondContact O-N 3.06Å; E419-D423 VanDerWaalsContact O-N 3.15Å; F420-D423 PolarHBondContact O-N 3.22Å; L421-D423 VanDerWaalsContact C-N 3.26Å; L421-D423 PolarHBondContact O-N 3.42Å; D423-K427 WeakPolarHBondContact O-CE 3.44Å; D423-K427 PolarHBondContact O-NZ 3.2Å; D423-H517 IonicContact OD2-CD2 2.71Å; D423-H517 IonicContact OD2-CE1 2.83Å; D423-H517 IonicContact OD2-NE2 3.17Å; D423-H517 PolarHBondContact OD2-NE2 3.45Å
424	I	91.5	Very high	89.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-108.1	-24.3	-177.3	63.3	-179.6	0	0	0	113.8	F413 F420 L421 L426 K427 M428 L505 A513	F413-I424 HydrophobicContact CE1-CD1 3.49Å; F413-I424 VanDerWaalsContact CE1-CD1 3.49Å; F413-I424 HydrophobicContact CZ-CD1 3.87Å; F420-I424 HydrophobicContact CD1-CD1 4.08Å; F420-I424 HydrophobicContact CE1-CD1 3.64Å; F420-I424 HydrophobicContact CE2-CD1 4.39Å; F420-I424 HydrophobicContact CE2-CG2 4.13Å; F420-I424 HydrophobicContact CZ-CD1 3.81Å; F420-I424 HydrophobicContact CZ-CG2 4.42Å; F420-I424 WeakPolarHBondContact O-CG1 3.24Å; F420-I424 PolarHBondContact O-N 3.37Å; L421-I424 HydrophobicContact CD1-CD1 4.37Å; L421-I424 HydrophobicContact CD1-CG1 4.33Å; L421-I424 PolarHBondContact O-N 3.28Å; I424-L426 VanDerWaalsContact C-N 3.3Å; I424-L426 PolarHBondContact O-N 2.94Å; I424-K427 WeakPolarHBondContact O-CA 3.25Å; I424-K427 WeakPolarHBondContact O-CB 3.39Å; I424-K427 PolarHBondContact O-N 3.04Å; I424-M428 HydrophobicContact CB-CE 4.19Å; I424-M428 HydrophobicContact CD1-CE 3.47Å; I424-M428 VanDerWaalsContact CD1-CE 3.47Å; I424-M428 HydrophobicContact CG1-CE 3.59Å; I424-M428 PolarHBondContact O-N 3.29Å; I424-L505 HydrophobicContact CB-CD2 4.07Å; I424-L505 HydrophobicContact CG2-CD2 4.11Å; I424-A513 HydrophobicContact CG2-CB 3.43Å; I424-A513 VanDerWaalsContact CG2-CB 3.43Å
425	V	89.9	Confident	89.9	Confident	10 Å²	10	48.8 Å²	48.8	6%	0.061	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.7	-38.2	-172	68.6	0	0	0	0	113.1	T396 A399 L400 L407 L421 K427 M428	T396-V425 HydrophobicContact CG2-CG1 3.7Å; A399-V425 HydrophobicContact CB-CG1 4.29Å; A399-V425 HydrophobicContact CB-CG2 3.69Å; L400-V425 HydrophobicContact CD2-CB 4.22Å; L400-V425 HydrophobicContact CD2-CG1 4.25Å; L400-V425 HydrophobicContact CD2-CG2 4.09Å; L400-V425 HydrophobicContact CG-CG1 4.31Å; L407-V425 HydrophobicContact CD1-CG2 4.12Å; L421-V425 WeakPolarHBondContact O-CB 3.31Å; L421-V425 PolarHBondContact O-N 3.47Å; V425-K427 VanDerWaalsContact C-N 3.28Å; V425-K427 PolarHBondContact O-N 3.41Å; V425-M428 PolarHBondContact O-N 2.68Å
426	L	89.8	Confident	90.3	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.131	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-74.7	-17.9	177	-65	-174.7	0	0	0	113.5	I384 N385 D392 K395 T396 A399 I424	I384-L426 HydrophobicContact CG2-CD2 3.68Å; N385-L426 PolarHBondContact ND2-O 2.97Å; N385-L426 PolarHBondContact OD1-O 2.84Å; D392-L426 HydrophobicContact CB-CD1 4.33Å; K395-L426 HydrophobicContact CB-CD1 4.07Å; K395-L426 HydrophobicContact CB-CD2 3.8Å; T396-L426 VanDerWaalsContact OG1-CD1 3.25Å; T396-L426 WeakPolarHBondContact OG1-CD1 3.36Å; A399-L426 HydrophobicContact CB-CD2 4.15Å; I424-L426 VanDerWaalsContact C-N 3.3Å; I424-L426 PolarHBondContact O-N 2.94Å
427	K	90.5	Very high	90.6	Very high	60 Å²	60	46.4 Å²	46.4	26%	0.261	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-92.1	-10.7	179.8	-54	179.8	-172.5	164.9	0	112.5	D423 I424 V425 L505 D509	D423-K427 WeakPolarHBondContact O-CE 3.44Å; D423-K427 PolarHBondContact O-NZ 3.2Å; I424-K427 WeakPolarHBondContact O-CA 3.25Å; I424-K427 WeakPolarHBondContact O-CB 3.39Å; I424-K427 PolarHBondContact O-N 3.04Å; V425-K427 VanDerWaalsContact C-N 3.28Å; V425-K427 PolarHBondContact O-N 3.41Å; K427-L505 HydrophobicContact CB-CD1 3.67Å; K427-D509 HydrophobicContact CB-CB 4.15Å; K427-D509 HydrophobicContact CD-CB 3.67Å
428	M	89.4	Confident	90.8	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.064	24%	0.237	C	C	.	.			trans	-74.8	135.4	174.7	-70.3	178.1	-173.7	0	0	110.4	L407 F413 I424 V425 I451 F503 V504 L505	L407-M428 HydrophobicContact CD2-SD 4.48Å; F413-M428 HydrophobicContact CE2-CE 4.43Å; F413-M428 HydrophobicContact CZ-CE 3.72Å; I424-M428 HydrophobicContact CB-CE 4.19Å; I424-M428 HydrophobicContact CD1-CE 3.47Å; I424-M428 VanDerWaalsContact CD1-CE 3.47Å; I424-M428 HydrophobicContact CG1-CE 3.59Å; I424-M428 PolarHBondContact O-N 3.29Å; V425-M428 PolarHBondContact O-N 2.68Å; M428-I451 HydrophobicContact CE-CD1 3.5Å; M428-I451 HydrophobicContact SD-CD1 4.05Å; M428-F503 HydrophobicContact CB-CB 4.24Å; M428-F503 HydrophobicContact CB-CD1 4.38Å; M428-F503 HydrophobicContact CG-CB 4.47Å; M428-F503 HydrophobicContact SD-CB 4.27Å; M428-V504 WeakPolarHBondContact CA-O 3.19Å; M428-L505 HydrophobicContact CG-CD1 4.36Å
429	R	88.4	Confident	91.1	Very high	141 Å²	141	40.9 Å²	40.9	53%	0.532	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.1	174.7	-64.4	-177.8	-63.7	174.2	1.5	110.5	F503 V504	R429-F503 WeakPolarHBondContact O-CA 3.4Å; R429-V504 PolarHBondContact N-O 2.85Å; R429-V504 PolarHBondContact O-N 2.94Å
430	P	88.7	Confident	91.2	Very high	45 Å²	45	36.8 Å²	36.8	29%	0.292	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	139.8	173.4	29.1	-33.4	0	0	0	110.2	Q382 L502 F503	Q382-P430 HydrophobicContact CB-CG 4.26Å; P430-L502 CarbonylContact C-O 3.59Å; P430-L502 WeakPolarHBondContact CA-O 3.33Å; P430-F503 HydrophobicContact CB-CD1 4.37Å; P430-F503 HydrophobicContact CB-CE1 4.19Å
431	L	89.5	Confident	91.3	Very high	66 Å²	66	43.4 Å²	43.4	35%	0.346	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	136.4	177.5	-175.5	59.8	0	0	0	110.3	F433 F450 L502 V504	L431-F433 HydrophobicContact CB-CE2 4.43Å; L431-F433 HydrophobicContact CD2-CE1 4.41Å; L431-F433 HydrophobicContact CD2-CE2 3.43Å; L431-F433 VanDerWaalsContact CD2-CE2 3.43Å; L431-F433 HydrophobicContact CD2-CZ 3.37Å; L431-F433 HydrophobicContact CG-CD2 4.32Å; L431-F433 HydrophobicContact CG-CE2 3.63Å; L431-F433 HydrophobicContact CG-CZ 3.94Å; L431-F450 HydrophobicContact CD2-CE1 4.43Å; L431-L502 PolarHBondContact N-O 2.97Å; L431-L502 PolarHBondContact O-N 3.35Å; L431-V504 HydrophobicContact CB-CG2 3.52Å; L431-V504 HydrophobicContact CD2-CG2 3.63Å; L431-V504 HydrophobicContact CG-CG2 4.23Å
432	V	91.6	Very high	91.2	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.055	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	133.1	-178.2	173.2	0	0	0	0	110	W368 Y371 C377 A500 E501	W368-V432 PolarHBondContact NE1-O 3.26Å; Y371-V432 HydrophobicContact CD1-CG1 3.53Å; Y371-V432 HydrophobicContact CE1-CG1 3.82Å; C377-V432 HydrophobicContact CB-CG2 4.47Å; V432-A500 WeakPolarHBondContact CA-O 3.14Å; V432-E501 HydrophobicContact CG2-CG 4.41Å
433	F	92.8	Very high	91.1	Very high	30 Å²	30	44.8 Å²	44.8	13%	0.132	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	147	173.3	-69.4	-83.6	0	0	0	111.6	L431 D437 I439 A496 Y499 A500 L502	L431-F433 HydrophobicContact CB-CE2 4.43Å; L431-F433 HydrophobicContact CD2-CE1 4.41Å; L431-F433 HydrophobicContact CD2-CE2 3.43Å; L431-F433 VanDerWaalsContact CD2-CE2 3.43Å; L431-F433 HydrophobicContact CD2-CZ 3.37Å; L431-F433 HydrophobicContact CG-CD2 4.32Å; L431-F433 HydrophobicContact CG-CE2 3.63Å; L431-F433 HydrophobicContact CG-CZ 3.94Å; F433-D437 HydrophobicContact CB-CB 4.17Å; F433-D437 HydrophobicContact CD1-CB 4.01Å; F433-I439 HydrophobicContact CB-CG1 4.42Å; F433-I439 HydrophobicContact CD1-CG1 3.79Å; F433-I439 HydrophobicContact CD2-CD1 4.24Å; F433-I439 HydrophobicContact CD2-CG1 3.88Å; F433-I439 HydrophobicContact CE1-CB 4.4Å; F433-I439 HydrophobicContact CE1-CG1 3.91Å; F433-I439 HydrophobicContact CE1-CG2 4.34Å; F433-I439 HydrophobicContact CE2-CG1 4.01Å; F433-I439 HydrophobicContact CE2-CG2 3.97Å; F433-I439 HydrophobicContact CG-CD1 4.32Å; F433-I439 HydrophobicContact CG-CG1 3.75Å; F433-I439 HydrophobicContact CZ-CB 4.31Å; F433-I439 HydrophobicContact CZ-CG1 4.01Å; F433-I439 HydrophobicContact CZ-CG2 3.78Å; F433-A496 HydrophobicContact CB-CB 4.34Å; F433-Y499 WeakPolarHBondContact O-CA 3.39Å; F433-A500 HydrophobicContact CB-CB 4.48Å; F433-A500 PolarHBondContact N-O 3.4Å; F433-A500 PolarHBondContact O-N 3.38Å; F433-A500 VanDerWaalsContact O-N 3.15Å; F433-L502 HydrophobicContact CD2-CD1 3.7Å; F433-L502 HydrophobicContact CD2-CG 4.11Å; F433-L502 HydrophobicContact CE2-CD1 3.57Å; F433-L502 HydrophobicContact CE2-CG 4.26Å
434	T	93.3	Very high	91.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	23%	0.234	C	C	.	.			trans	-87.7	159.1	173.8	57.9	0	0	0	0	112.3	R364 W368 G436 D437 Y499	R364-T434 PolarHBondContact NE-OG1 3.4Å; W368-T434 HydrophobicContact CB-CG2 3.62Å; W368-T434 HydrophobicContact CG-CG2 4.17Å; T434-G436 PolarHBondContact O-N 2.96Å; T434-D437 PolarHBondContact N-OD2 3.26Å; T434-D437 VanDerWaalsContact O-CB 3.22Å; T434-D437 WeakPolarHBondContact O-CB 3.15Å; T434-D437 PolarHBondContact O-N 2.97Å; T434-D437 VanDerWaalsContact O-N 3.13Å; T434-D437 VanDerWaalsContact O-OD1 3.13Å; T434-D437 PolarHBondContact OG1-OD1 3.49Å; T434-D437 PolarHBondContact OG1-OD2 3.25Å; T434-D437 VanDerWaalsContact OG1-OD2 3.06Å; T434-Y499 HydrophobicContact CG2-CE1 4.18Å
435	P	93.7	Very high	91.3	Very high	48 Å²	48	49.7 Å²	49.7	31%	0.312	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	132.5	175.3	-22.4	30.1	0	0	0	112.3	D437 Y499	P435-D437 VanDerWaalsContact C-N 3.34Å; P435-Y499 HydrophobicContact CG-CD2 4.2Å; P435-Y499 HydrophobicContact CG-CE2 4.26Å; P435-Y499 HydrophobicContact CG-CG 4.5Å
436	G	91.3	Very high	91.4	Very high	44 Å²	44	49.2 Å²	49.2	45%	0.454	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-5.7	-178.4	0	0	0	0	0	114.8	T434 L438 A496	T434-G436 PolarHBondContact O-N 2.96Å; G436-L438 PolarHBondContact O-N 3.46Å; G436-A496 PolarHBondContact N-O 3.25Å
437	D	92.1	Very high	91.6	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.091	28%	0.276	C	S	.	.			trans	-65.9	130.7	177.9	-68.5	9.1	0	0	0	111.3	R364 F433 T434 P435 R495 A496	R364-D437 IonicContact CZ-OD1 3.87Å; R364-D437 IonicContact NE-OD1 3.93Å; R364-D437 PolarHBondContact NE-OD1 2.92Å; R364-D437 IonicContact NH2-OD1 4Å; R364-D437 PolarHBondContact NH2-OD1 3.36Å; R364-D437 IonicContact NH2-OD2 3.47Å; F433-D437 HydrophobicContact CB-CB 4.17Å; F433-D437 HydrophobicContact CD1-CB 4.01Å; T434-D437 PolarHBondContact N-OD2 3.26Å; T434-D437 VanDerWaalsContact O-CB 3.22Å; T434-D437 WeakPolarHBondContact O-CB 3.15Å; T434-D437 PolarHBondContact O-N 2.97Å; T434-D437 VanDerWaalsContact O-N 3.13Å; T434-D437 VanDerWaalsContact O-OD1 3.13Å; T434-D437 PolarHBondContact OG1-OD1 3.49Å; T434-D437 PolarHBondContact OG1-OD2 3.25Å; T434-D437 VanDerWaalsContact OG1-OD2 3.06Å; P435-D437 VanDerWaalsContact C-N 3.34Å; D437-R495 CarbonylContact O-C 3.35Å; D437-R495 VanDerWaalsContact O-CA 3.27Å; D437-R495 WeakPolarHBondContact O-CA 3.08Å; D437-A496 PolarHBondContact O-N 3.33Å
438	L	93	Very high	91.7	Very high	80 Å²	80	55.4 Å²	55.4	42%	0.419	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.4	166.7	-72.8	167.3	0	0	0	109	G436 R441 D493 V494 R495	G436-L438 PolarHBondContact O-N 3.46Å; L438-R441 HydrophobicContact CB-CG 4.42Å; L438-D493 HydrophobicContact CD2-CB 4.37Å; L438-V494 CarbonylContact C-O 3.17Å; L438-V494 WeakPolarHBondContact CA-O 3.33Å; L438-R495 HydrophobicContact CD2-CB 4.05Å; L438-R495 HydrophobicContact CD2-CG 4.46Å
439	I	94.3	Very high	91.9	Very high	17 Å²	17	55.2 Å²	55.2	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-38.1	-178.6	-61	155.3	0	0	0	111	F433 F450 L457 F476 V494 A496 L502	F433-I439 HydrophobicContact CB-CG1 4.42Å; F433-I439 HydrophobicContact CD1-CG1 3.79Å; F433-I439 HydrophobicContact CD2-CD1 4.24Å; F433-I439 HydrophobicContact CD2-CG1 3.88Å; F433-I439 HydrophobicContact CE1-CB 4.4Å; F433-I439 HydrophobicContact CE1-CG1 3.91Å; F433-I439 HydrophobicContact CE1-CG2 4.34Å; F433-I439 HydrophobicContact CE2-CG1 4.01Å; F433-I439 HydrophobicContact CE2-CG2 3.97Å; F433-I439 HydrophobicContact CG-CD1 4.32Å; F433-I439 HydrophobicContact CG-CG1 3.75Å; F433-I439 HydrophobicContact CZ-CB 4.31Å; F433-I439 HydrophobicContact CZ-CG1 4.01Å; F433-I439 HydrophobicContact CZ-CG2 3.78Å; I439-F450 HydrophobicContact CG2-CD1 4.46Å; I439-F450 HydrophobicContact CG2-CD2 4.41Å; I439-F450 HydrophobicContact CG2-CE1 4.25Å; I439-F450 HydrophobicContact CG2-CE2 4.17Å; I439-F450 HydrophobicContact CG2-CZ 4.1Å; I439-L457 HydrophobicContact CD1-CD1 3.77Å; I439-L457 HydrophobicContact CD1-CD2 3.41Å; I439-L457 VanDerWaalsContact CD1-CD2 3.41Å; I439-L457 HydrophobicContact CD1-CG 4.22Å; I439-F476 HydrophobicContact CG2-CE2 4.02Å; I439-F476 HydrophobicContact CG2-CZ 3.9Å; I439-V494 HydrophobicContact CD1-CG1 4.38Å; I439-V494 PolarHBondContact N-O 2.71Å; I439-A496 HydrophobicContact CD1-CB 4.26Å; I439-L502 HydrophobicContact CD1-CD1 4Å; I439-L502 HydrophobicContact CG2-CD1 4.12Å
440	C	92.9	Very high	92.2	Very high	3 Å²	3	49 Å²	49	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.4	174.1	-71.4	0	0	0	0	107.6	R490 D493 V494	C440-R490 HydrophobicContact CB-CG 4.16Å; C440-D493 WeakPolarHBondContact O-CA 3.29Å; C440-V494 HydrophobicContact CB-CB 4.12Å; C440-V494 HydrophobicContact CB-CG2 4.09Å; C440-V494 PolarHBondContact O-N 3.03Å
441	R	92.5	Very high	92.4	Very high	140 Å²	140	47.3 Å²	47.3	53%	0.528	24%	0.24	S	C	.	.			trans	-105.2	136.8	165.7	-44.3	-177.2	-176.6	167.9	-4.8	110.4	L438 G443 E444 R490 D493	L438-R441 HydrophobicContact CB-CG 4.42Å; R441-G443 PolarHBondContact O-N 3.44Å; R441-E444 HydrophobicContact CB-CG 3.85Å; R441-E444 WeakPolarHBondContact CB-OE1 3.29Å; R441-E444 WeakPolarHBondContact CD-OE1 3.46Å; R441-E444 WeakPolarHBondContact CG-OE1 3.37Å; R441-E444 PolarHBondContact N-OE2 3.04Å; R441-E444 IonicContact NE-OE1 3.96Å; R441-E444 VanDerWaalsContact O-CB 3.29Å; R441-E444 WeakPolarHBondContact O-CB 3.26Å; R441-E444 WeakPolarHBondContact O-CG 3.37Å; R441-E444 PolarHBondContact O-N 3.06Å; R441-E444 VanDerWaalsContact O-N 3.08Å; R441-R490 VanDerWaalsContact O-CB 3.28Å; R441-R490 WeakPolarHBondContact O-CB 3.37Å; R441-D493 WeakPolarHBondContact CA-OD1 3.37Å
442	K	89.6	Confident	92.5	Very high	83 Å²	83	44.1 Å²	44.1	36%	0.361	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	132.4	177.8	-177.6	178.2	173.8	179.8	0	110	E444 D462 D493	K442-E444 VanDerWaalsContact C-N 3.3Å; K442-E444 PolarHBondContact O-N 3.01Å; K442-D462 WeakPolarHBondContact CD-OD1 3.37Å; K442-D462 WeakPolarHBondContact CE-OD1 3.37Å; K442-D462 IonicContact NZ-OD1 2.81Å; K442-D462 PolarHBondContact NZ-OD1 2.94Å; K442-D462 IonicContact NZ-OD2 3.21Å; K442-D462 PolarHBondContact NZ-OD2 3.21Å; K442-D493 PolarHBondContact N-OD1 3.04Å
443	G	89.2	Confident	92.5	Very high	36 Å²	36	44.6 Å²	44.6	37%	0.371	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-10.1	-179.2	0	0	0	0	0	115.4	R441 K489 R490	R441-G443 PolarHBondContact O-N 3.44Å; G443-K489 WeakPolarHBondContact O-CD 3.24Å; G443-R490 PolarHBondContact N-O 2.98Å
444	E	91.8	Very high	92.4	Very high	80 Å²	80	46.7 Å²	46.7	37%	0.374	24%	0.241	S	C	.	.	S	Bend	trans	-65.7	153.4	169.9	-72.1	178.5	162.8	0	0	111.1	R441 K442 A446 K489 R490	R441-E444 HydrophobicContact CB-CG 3.85Å; R441-E444 WeakPolarHBondContact CB-OE1 3.29Å; R441-E444 WeakPolarHBondContact CD-OE1 3.46Å; R441-E444 WeakPolarHBondContact CG-OE1 3.37Å; R441-E444 PolarHBondContact N-OE2 3.04Å; R441-E444 IonicContact NE-OE1 3.96Å; R441-E444 VanDerWaalsContact O-CB 3.29Å; R441-E444 WeakPolarHBondContact O-CB 3.26Å; R441-E444 WeakPolarHBondContact O-CG 3.37Å; R441-E444 PolarHBondContact O-N 3.06Å; R441-E444 VanDerWaalsContact O-N 3.08Å; K442-E444 VanDerWaalsContact C-N 3.3Å; K442-E444 PolarHBondContact O-N 3.01Å; E444-A446 PolarHBondContact O-N 3.42Å; E444-K489 CarbonylContact O-C 3.55Å; E444-K489 WeakPolarHBondContact O-CA 3.49Å; E444-R490 HydrophobicContact CB-CG 4.14Å; E444-R490 WeakPolarHBondContact O-CG 3.3Å; E444-R490 PolarHBondContact O-N 3.04Å
445	I	93	Very high	92.4	Very high	94 Å²	94	47.2 Å²	47.2	48%	0.482	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-69.4	129.7	178.5	-61.5	171.4	0	0	0	109.4	R447 N488	I445-R447 HydrophobicContact CG2-CG 4.16Å; I445-R447 PolarHBondContact O-N 3.37Å; I445-N488 WeakPolarHBondContact CA-O 3.27Å
446	A	92.2	Very high	92.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.			trans	-80.1	106	179	0	0	0	0	0	111.1	E444 V481 N488	E444-A446 PolarHBondContact O-N 3.42Å; A446-V481 HydrophobicContact CB-CG2 4.15Å; A446-N488 PolarHBondContact N-O 3.09Å; A446-N488 PolarHBondContact O-OD1 3.42Å
447	R	93	Very high	92.7	Very high	159 Å²	159	45.8 Å²	45.8	60%	0.6	23%	0.229	S	C	*	.			trans	-106.2	-20.5	-177.4	-66.7	178.7	-177.9	-176.4	-0.1	113.8	I445 R507	I445-R447 HydrophobicContact CG2-CG 4.16Å; I445-R447 PolarHBondContact O-N 3.37Å; R447-R507 WeakPolarHBondContact O-CB 3.32Å; R447-R507 PolarHBondContact O-N 2.94Å
448	E	94.1	Very high	92.8	Very high	56 Å²	56	46 Å²	46	26%	0.262	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.5	-175.2	-49.8	82.8	-173.3	0	0	112.1	F450 R490 V504 L505	E448-F450 HydrophobicContact CB-CZ 4.29Å; E448-R490 VanDerWaalsContact O-CZ 3.29Å; E448-R490 PolarHBondContact O-NH1 3.47Å; E448-R490 PolarHBondContact O-NH2 3.43Å; E448-R490 IonicContact OE2-NH2 3.83Å; E448-R490 PolarHBondContact OE2-NH2 3.01Å; E448-V504 HydrophobicContact CB-CG1 3.55Å; E448-V504 HydrophobicContact CG-CG1 3.62Å; E448-L505 CarbonylContact C-O 3.55Å; E448-L505 WeakPolarHBondContact CA-O 3.17Å; E448-L505 WeakPolarHBondContact CB-O 3.14Å
449	I	93.4	Very high	92.8	Very high	8 Å²	8	43 Å²	43	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	144.1	164.4	-57.5	-164.2	0	0	0	108.4	F475 F476 E478 V481 L505 I510	I449-F475 HydrophobicContact CG2-CD2 4.44Å; I449-F476 WeakPolarHBondContact CG2-O 3.42Å; I449-E478 HydrophobicContact CD1-CB 4.07Å; I449-V481 HydrophobicContact CD1-CB 4.17Å; I449-V481 HydrophobicContact CD1-CG1 4.12Å; I449-V481 HydrophobicContact CG1-CB 3.95Å; I449-V481 HydrophobicContact CG1-CG1 4.05Å; I449-V481 HydrophobicContact CG1-CG2 3.78Å; I449-L505 PolarHBondContact N-O 3.34Å; I449-L505 PolarHBondContact O-N 3.36Å; I449-I510 HydrophobicContact CD1-CD1 3.44Å; I449-I510 VanDerWaalsContact CD1-CD1 3.44Å; I449-I510 HydrophobicContact CD1-CG1 4.45Å; I449-I510 HydrophobicContact CD1-CG2 4.44Å; I449-I510 HydrophobicContact CG1-CD1 4.22Å
450	F	94.1	Very high	92.6	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.044	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.9	178.5	-59.7	-82.3	0	0	0	110.5	L431 I439 E448 F475 F476 L502 F503 V504	L431-F450 HydrophobicContact CD2-CE1 4.43Å; I439-F450 HydrophobicContact CG2-CD1 4.46Å; I439-F450 HydrophobicContact CG2-CD2 4.41Å; I439-F450 HydrophobicContact CG2-CE1 4.25Å; I439-F450 HydrophobicContact CG2-CE2 4.17Å; I439-F450 HydrophobicContact CG2-CZ 4.1Å; E448-F450 HydrophobicContact CB-CZ 4.29Å; F450-F475 CarbonylContact O-C 3.54Å; F450-F475 WeakPolarHBondContact O-CA 3.42Å; F450-F475 WeakPolarHBondContact O-CB 3.5Å; F450-F476 HydrophobicContact CB-CD1 3.95Å; F450-F476 HydrophobicContact CB-CD2 4.24Å; F450-F476 HydrophobicContact CB-CE1 3.44Å; F450-F476 VanDerWaalsContact CB-CE1 3.44Å; F450-F476 HydrophobicContact CB-CE2 3.8Å; F450-F476 HydrophobicContact CB-CG 4.32Å; F450-F476 HydrophobicContact CB-CZ 3.37Å; F450-F476 AromaticContact CD2-CD2 3.97Å; F450-F476 HydrophobicContact CD2-CD2 3.97Å; F450-F476 AromaticContact CD2-CE2 3.39Å; F450-F476 HydrophobicContact CD2-CE2 3.39Å; F450-F476 AromaticContact CD2-CZ 3.78Å; F450-F476 HydrophobicContact CD2-CZ 3.78Å; F450-F476 HydrophobicContact CE2-CE2 4.2Å; F450-F476 HydrophobicContact CG-CE1 4.26Å; F450-F476 AromaticContact CG-CE2 3.81Å; F450-F476 HydrophobicContact CG-CE2 3.81Å; F450-F476 AromaticContact CG-CZ 3.67Å; F450-F476 HydrophobicContact CG-CZ 3.67Å; F450-F476 PolarHBondContact N-O 3.47Å; F450-F476 PolarHBondContact O-N 3.4Å; F450-L502 HydrophobicContact CB-CD1 4.25Å; F450-L502 HydrophobicContact CD1-CB 4.46Å; F450-L502 HydrophobicContact CD1-CD1 3.95Å; F450-L502 HydrophobicContact CG-CD1 4.32Å; F450-F503 CarbonylContact C-O 3.52Å; F450-F503 WeakPolarHBondContact CA-O 3.46Å; F450-V504 HydrophobicContact CD1-CB 4.47Å; F450-V504 HydrophobicContact CD1-CG1 4.39Å; F450-V504 HydrophobicContact CD1-CG2 3.78Å; F450-V504 HydrophobicContact CE1-CB 4.41Å; F450-V504 HydrophobicContact CE1-CG1 4Å; F450-V504 HydrophobicContact CE1-CG2 3.7Å
451	I	92.3	Very high	92.1	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.3	171.2	-61.4	162.6	0	0	0	107.2	V410 F413 M428 A453 F475 L502 F503	V410-I451 HydrophobicContact CG1-CG2 4.11Å; V410-I451 HydrophobicContact CG2-CG2 3.7Å; F413-I451 HydrophobicContact CE2-CD1 4.02Å; F413-I451 HydrophobicContact CZ-CD1 3.68Å; M428-I451 HydrophobicContact CE-CD1 3.5Å; M428-I451 HydrophobicContact SD-CD1 4.05Å; I451-A453 PolarHBondContact O-N 3.37Å; I451-F475 HydrophobicContact CG1-CB 3.96Å; I451-L502 CarbonylContact O-C 3.54Å; I451-L502 VanDerWaalsContact O-CA 3.25Å; I451-L502 WeakPolarHBondContact O-CA 3.24Å; I451-F503 HydrophobicContact CB-CB 4.27Å; I451-F503 PolarHBondContact N-O 3.48Å; I451-F503 PolarHBondContact O-N 3.48Å
452	I	93.1	Very high	91.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	112.5	-177.2	-51.8	176.2	0	0	0	108.8	L457 M470 G473 D474 F476 L502	I452-L457 HydrophobicContact CD1-CB 4.4Å; I452-L457 HydrophobicContact CD1-CD1 3.59Å; I452-L457 HydrophobicContact CD1-CG 3.93Å; I452-L457 HydrophobicContact CG1-CD1 3.89Å; I452-M470 HydrophobicContact CD1-CB 3.54Å; I452-M470 HydrophobicContact CD1-CE 4.43Å; I452-G473 PolarHBondContact O-N 2.9Å; I452-D474 WeakPolarHBondContact CB-O 3.28Å; I452-D474 HydrophobicContact CD1-CB 4.1Å; I452-D474 WeakPolarHBondContact CG1-O 3.47Å; I452-D474 PolarHBondContact N-O 2.87Å; I452-F476 HydrophobicContact CD1-CD1 4.32Å; I452-F476 HydrophobicContact CD1-CE1 4.27Å; I452-F476 HydrophobicContact CG1-CD1 4.22Å; I452-F476 HydrophobicContact CG1-CE1 3.95Å; I452-L502 HydrophobicContact CB-CD2 4.05Å; I452-L502 HydrophobicContact CG1-CD2 3.83Å; I452-L502 HydrophobicContact CG2-CD2 4.01Å
453	A	90	Very high	90.9	Very high	18 Å²	18	41.6 Å²	41.6	15%	0.149	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-46.9	174.8	0	0	0	0	0	111.5	T406 I451 A472 E501 F503	T406-A453 HydrophobicContact CG2-CB 3.73Å; I451-A453 PolarHBondContact O-N 3.37Å; A453-A472 WeakPolarHBondContact O-CB 3.31Å; A453-E501 WeakPolarHBondContact CA-O 3.01Å; A453-E501 HydrophobicContact CB-CB 4.33Å; A453-E501 VanDerWaalsContact CB-O 3.3Å; A453-E501 WeakPolarHBondContact CB-O 3.17Å; A453-E501 PolarHBondContact N-O 2.91Å; A453-F503 HydrophobicContact CB-CD2 4.01Å; A453-F503 HydrophobicContact CB-CE2 3.73Å
454	D	91.1	Very high	90.4	Very high	74 Å²	74	45.4 Å²	45.4	40%	0.396	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.1	176.6	-169.6	27.3	0	0	0	110.7	K375 A500 E501	K375-D454 IonicContact NZ-OD2 3.53Å; D454-A500 WeakPolarHBondContact O-CA 2.84Å; D454-E501 HydrophobicContact CB-CB 4.11Å; D454-E501 HydrophobicContact CB-CG 4.43Å; D454-E501 PolarHBondContact N-O 2.96Å; D454-E501 VanDerWaalsContact N-O 3.11Å; D454-E501 PolarHBondContact O-N 2.82Å
455	G	93.3	Very high	90.1	Very high	14 Å²	14	46.1 Å²	46.1	14%	0.144	24%	0.243	C	C	.	.	S	Bend	trans	98.8	178.7	-179.7	0	0	0	0	0	115
456	V	95.6	Very high	89.8	Confident	63 Å²	63	44.9 Å²	44.9	38%	0.382	24%	0.24	S	C	.	.			trans	-126.5	128.2	-176.2	-178.2	0	0	0	0	109.5	M470 V497	V456-M470 WeakPolarHBondContact CA-O 3Å; V456-V497 HydrophobicContact CG1-CG2 4.28Å; V456-V497 WeakPolarHBondContact O-CB 3.43Å; V456-V497 PolarHBondContact O-N 3.33Å
457	L	96.5	Very high	89.4	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.5	177.8	-53.7	-175.4	0	0	0	110.6	I439 I452 K469 M470 F476 V494 R495 A496 A500 L502	I439-L457 HydrophobicContact CD1-CD1 3.77Å; I439-L457 HydrophobicContact CD1-CD2 3.41Å; I439-L457 VanDerWaalsContact CD1-CD2 3.41Å; I439-L457 HydrophobicContact CD1-CG 4.22Å; I452-L457 HydrophobicContact CD1-CB 4.4Å; I452-L457 HydrophobicContact CD1-CD1 3.59Å; I452-L457 HydrophobicContact CD1-CG 3.93Å; I452-L457 HydrophobicContact CG1-CD1 3.89Å; L457-K469 CarbonylContact O-C 3.56Å; L457-K469 WeakPolarHBondContact O-CA 3.36Å; L457-M470 HydrophobicContact CB-CB 4.37Å; L457-M470 PolarHBondContact N-O 2.9Å; L457-M470 PolarHBondContact O-N 3.47Å; L457-F476 HydrophobicContact CD1-CD1 4.19Å; L457-F476 HydrophobicContact CD1-CE1 3.28Å; L457-F476 HydrophobicContact CD1-CZ 3.6Å; L457-V494 HydrophobicContact CB-CG1 4.08Å; L457-V494 HydrophobicContact CD1-CG1 4.03Å; L457-R495 CarbonylContact C-O 3.49Å; L457-R495 WeakPolarHBondContact CA-O 3.4Å; L457-A496 HydrophobicContact CD2-CB 3.88Å; L457-A500 HydrophobicContact CD2-CB 3.63Å; L457-L502 HydrophobicContact CD1-CD1 4.44Å; L457-L502 HydrophobicContact CD1-CD2 4.12Å
458	E	94.7	Very high	89.2	Confident	20 Å²	20	41.6 Å²	41.6	9%	0.093	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.1	174.2	-79.3	173.2	171.9	0	0	109.5	I460 V466 K469 V494 R495 V497	E458-I460 HydrophobicContact CB-CG1 4.48Å; E458-V466 HydrophobicContact CB-CG1 4.12Å; E458-V466 HydrophobicContact CB-CG2 4.49Å; E458-V466 HydrophobicContact CG-CG1 3.83Å; E458-V466 HydrophobicContact CG-CG2 4.32Å; E458-K469 HydrophobicContact CG-CD 4.42Å; E458-K469 HydrophobicContact CG-CG 3.99Å; E458-K469 WeakPolarHBondContact OE1-CE 3.36Å; E458-K469 IonicContact OE1-NZ 3.95Å; E458-K469 PolarHBondContact OE1-NZ 3.48Å; E458-V494 WeakPolarHBondContact O-CA 3.33Å; E458-R495 PolarHBondContact N-O 2.83Å; E458-R495 PolarHBondContact O-N 3.12Å; E458-R495 IonicContact OE2-CZ 2.7Å; E458-R495 IonicContact OE2-NH2 3.74Å; E458-R495 PolarHBondContact OE2-NH2 2.76Å; E458-V497 HydrophobicContact CB-CG2 4.2Å; E458-V497 HydrophobicContact CG-CG2 3.45Å; E458-V497 VanDerWaalsContact CG-CG2 3.45Å
459	V	92.1	Very high	89.1	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.115	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.2	168.8	-174.6	0	0	0	0	107.6	L467 S468 M470 A492 D493 V494	V459-L467 HydrophobicContact CB-CB 4.5Å; V459-L467 HydrophobicContact CG1-CB 4.44Å; V459-L467 HydrophobicContact CG1-CD1 4.38Å; V459-L467 PolarHBondContact O-N 2.89Å; V459-S468 WeakPolarHBondContact CG2-OG 3.33Å; V459-S468 PolarHBondContact N-O 3.44Å; V459-M470 HydrophobicContact CG2-CG 4.22Å; V459-M470 HydrophobicContact CG2-SD 3.9Å; V459-A492 HydrophobicContact CG1-CB 3.57Å; V459-D493 CarbonylContact C-O 3.56Å; V459-D493 WeakPolarHBondContact CA-O 3.33Å; V459-V494 HydrophobicContact CG2-CG2 4.41Å
460	I	90.3	Very high	89.1	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.2	-171.9	-57.7	172	0	0	0	109.5	E458 E465 D493 R495	E458-I460 HydrophobicContact CB-CG1 4.48Å; I460-E465 WeakPolarHBondContact CA-O 3.35Å; I460-D493 HydrophobicContact CB-CB 4.1Å; I460-D493 PolarHBondContact N-O 3.32Å; I460-R495 HydrophobicContact CD1-CB 3.54Å; I460-R495 HydrophobicContact CD1-CG 4.36Å; I460-R495 HydrophobicContact CG1-CB 4.49Å
461	S	82.1	Confident	89	Confident	26 Å²	26	48.2 Å²	48.2	18%	0.182	27%	0.274	C	S	.	.			trans	-78.8	166.4	173.1	-173.6	0	0	0	0	111.8	S463 N464 E465	S461-S463 WeakPolarHBondContact CB-OG 3.13Å; S461-S463 PolarHBondContact O-N 3.43Å; S461-S463 VanDerWaalsContact O-N 3.12Å; S461-S463 PolarHBondContact OG-OG 3.47Å; S461-S463 VanDerWaalsContact OG-OG 3.09Å; S461-N464 WeakPolarHBondContact O-CA 3.36Å; S461-N464 PolarHBondContact O-N 3.45Å; S461-E465 WeakPolarHBondContact CB-O 3.28Å; S461-E465 PolarHBondContact N-O 2.92Å
462	D	78.8	Confident	88.9	Confident	114 Å²	114	49.5 Å²	49.5	61%	0.61	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.9	169.3	-59.4	-26.4	0	0	0	112.3	K442 N464	K442-D462 WeakPolarHBondContact CD-OD1 3.37Å; K442-D462 WeakPolarHBondContact CE-OD1 3.37Å; K442-D462 IonicContact NZ-OD1 2.81Å; K442-D462 PolarHBondContact NZ-OD1 2.94Å; K442-D462 IonicContact NZ-OD2 3.21Å; K442-D462 PolarHBondContact NZ-OD2 3.21Å; D462-N464 PolarHBondContact O-N 2.95Å
463	S	78.3	Confident	88.6	Confident	66 Å²	66	49.8 Å²	49.8	46%	0.462	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	6.3	175.4	48.6	0	0	0	0	114.1	S461 E465	S461-S463 WeakPolarHBondContact CB-OG 3.13Å; S461-S463 PolarHBondContact O-N 3.43Å; S461-S463 VanDerWaalsContact O-N 3.12Å; S461-S463 PolarHBondContact OG-OG 3.47Å; S461-S463 VanDerWaalsContact OG-OG 3.09Å; S463-E465 PolarHBondContact O-N 2.93Å; S463-E465 PolarHBondContact OG-OE2 3.39Å
464	N	79.2	Confident	88.7	Confident	116 Å²	116	51 Å²	51	62%	0.62	29%	0.293	S	S	*	.	S	Bend	trans	59	18.8	-171.1	-163.2	39.1	0	0	0	113.9	S461 D462	S461-N464 WeakPolarHBondContact O-CA 3.36Å; S461-N464 PolarHBondContact O-N 3.45Å; D462-N464 PolarHBondContact O-N 2.95Å
465	E	84.4	Confident	88.7	Confident	94 Å²	94	47.7 Å²	47.7	44%	0.439	28%	0.275	S	S	.	.			trans	-87.2	142.4	175.4	-67.9	172.7	144.5	0	0	110.8	I460 S461 S463 L467 H542	I460-E465 WeakPolarHBondContact CA-O 3.35Å; S461-E465 WeakPolarHBondContact CB-O 3.28Å; S461-E465 PolarHBondContact N-O 2.92Å; S463-E465 PolarHBondContact O-N 2.93Å; S463-E465 PolarHBondContact OG-OE2 3.39Å; E465-L467 PolarHBondContact O-N 3.44Å; E465-H542 IonicContact OE2-CE1 2.77Å; E465-H542 PolarHBondContact OE2-CE1 3.25Å; E465-H542 IonicContact OE2-NE2 3.02Å
466	V	86.8	Confident	88.7	Confident	69 Å²	69	47.5 Å²	47.5	42%	0.418	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.2	178.3	-179.8	0	0	0	0	109.5	E458 K469	E458-V466 HydrophobicContact CB-CG1 4.12Å; E458-V466 HydrophobicContact CB-CG2 4.49Å; E458-V466 HydrophobicContact CG-CG1 3.83Å; E458-V466 HydrophobicContact CG-CG2 4.32Å; V466-K469 HydrophobicContact CG1-CG 4.19Å
467	L	84.8	Confident	88.4	Confident	44 Å²	44	45.1 Å²	45.1	23%	0.23	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-39.9	-179.8	-66	175.6	0	0	0	112.3	V459 E465 R538	V459-L467 HydrophobicContact CB-CB 4.5Å; V459-L467 HydrophobicContact CG1-CB 4.44Å; V459-L467 HydrophobicContact CG1-CD1 4.38Å; V459-L467 PolarHBondContact O-N 2.89Å; E465-L467 PolarHBondContact O-N 3.44Å; L467-R538 PolarHBondContact O-NH1 3.14Å
468	S	88.4	Confident	88.1	Confident	46 Å²	46	45.3 Å²	45.3	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	157.7	178	56.5	0	0	0	0	110.7	V459	V459-S468 WeakPolarHBondContact CG2-OG 3.33Å; V459-S468 PolarHBondContact N-O 3.44Å
469	K	92.5	Very high	87.8	Confident	137 Å²	137	44.8 Å²	44.8	60%	0.596	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	139	169.9	-65.7	-171	177.1	-156.3	0	108.9	L457 E458 V466	L457-K469 CarbonylContact O-C 3.56Å; L457-K469 WeakPolarHBondContact O-CA 3.36Å; E458-K469 HydrophobicContact CG-CD 4.42Å; E458-K469 HydrophobicContact CG-CG 3.99Å; E458-K469 WeakPolarHBondContact OE1-CE 3.36Å; E458-K469 IonicContact OE1-NZ 3.95Å; E458-K469 PolarHBondContact OE1-NZ 3.48Å; V466-K469 HydrophobicContact CG1-CG 4.19Å
470	M	92.4	Very high	87.6	Confident	12 Å²	12	44 Å²	44	6%	0.059	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139	176.4	-54.1	-175.6	65.2	0	0	108.4	I452 V456 L457 V459 D474 F475 F476	I452-M470 HydrophobicContact CD1-CB 3.54Å; I452-M470 HydrophobicContact CD1-CE 4.43Å; V456-M470 WeakPolarHBondContact CA-O 3Å; L457-M470 HydrophobicContact CB-CB 4.37Å; L457-M470 PolarHBondContact N-O 2.9Å; L457-M470 PolarHBondContact O-N 3.47Å; V459-M470 HydrophobicContact CG2-CG 4.22Å; V459-M470 HydrophobicContact CG2-SD 3.9Å; M470-D474 WeakPolarHBondContact CA-OD2 3.4Å; M470-D474 HydrophobicContact CB-CB 4.16Å; M470-D474 HydrophobicContact CE-CB 3.63Å; M470-F475 VanDerWaalsContact CE-O 3.29Å; M470-F475 WeakPolarHBondContact CE-O 3.29Å; M470-F476 HydrophobicContact CE-CB 3.78Å; M470-F476 HydrophobicContact CE-CD1 4.11Å; M470-F476 HydrophobicContact CE-CG 4.36Å; M470-F476 HydrophobicContact SD-CB 4.04Å; M470-F476 HydrophobicContact SD-CD1 4.32Å; M470-F476 HydrophobicContact SD-CG 4.37Å
471	S	91.9	Very high	87.5	Confident	63 Å²	63	43.7 Å²	43.7	44%	0.441	25%	0.252	S	S	.	.			trans	-123.5	175.3	-176.6	56.8	0	0	0	0	111.4	G473 D474	S471-G473 PolarHBondContact O-N 3.45Å; S471-D474 PolarHBondContact N-OD2 3.03Å; S471-D474 WeakPolarHBondContact O-CB 3.36Å; S471-D474 PolarHBondContact O-N 2.9Å
472	A	90.5	Very high	87.7	Confident	38 Å²	38	43 Å²	43	31%	0.314	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	129.7	174.9	0	0	0	0	0	112.2	A453	A453-A472 WeakPolarHBondContact O-CB 3.31Å
473	G	88	Confident	88.1	Confident	5 Å²	5	40.9 Å²	40.9	5%	0.052	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	-18.8	-173.1	0	0	0	0	0	114.2	V410 I452 S471	V410-G473 VanDerWaalsContact CA-O 3.26Å; V410-G473 WeakPolarHBondContact CA-O 3.47Å; V410-G473 VanDerWaalsContact CG1-O 3.32Å; V410-G473 WeakPolarHBondContact CG1-O 3.18Å; I452-G473 PolarHBondContact O-N 2.9Å; S471-G473 PolarHBondContact O-N 3.45Å
474	D	91	Very high	88.1	Confident	45 Å²	45	39.4 Å²	39.4	24%	0.241	22%	0.223	C	C	.	.			trans	-78.1	155.5	172.2	-66.2	-46.7	0	0	0	111.5	I452 M470 S471	I452-D474 WeakPolarHBondContact CB-O 3.28Å; I452-D474 HydrophobicContact CD1-CB 4.1Å; I452-D474 WeakPolarHBondContact CG1-O 3.47Å; I452-D474 PolarHBondContact N-O 2.87Å; M470-D474 WeakPolarHBondContact CA-OD2 3.4Å; M470-D474 HydrophobicContact CB-CB 4.16Å; M470-D474 HydrophobicContact CE-CB 3.63Å; S471-D474 PolarHBondContact N-OD2 3.03Å; S471-D474 WeakPolarHBondContact O-CB 3.36Å; S471-D474 PolarHBondContact O-N 2.9Å
475	F	91.7	Very high	88	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.6	171.6	71.6	-82.8	0	0	0	110.5	V410 I412 I449 F450 I451 M470 E478 I524 H527 R531	V410-F475 HydrophobicContact CG1-CD1 4.19Å; I412-F475 HydrophobicContact CB-CD1 4.11Å; I412-F475 HydrophobicContact CB-CE1 3.72Å; I412-F475 HydrophobicContact CB-CZ 4.2Å; I412-F475 HydrophobicContact CD1-CE1 4.42Å; I412-F475 HydrophobicContact CD1-CE2 4.27Å; I412-F475 HydrophobicContact CD1-CZ 4.16Å; I412-F475 HydrophobicContact CG1-CE1 4.46Å; I412-F475 HydrophobicContact CG1-CZ 4.46Å; I412-F475 HydrophobicContact CG2-CD1 4.16Å; I412-F475 HydrophobicContact CG2-CE1 4.29Å; I449-F475 HydrophobicContact CG2-CD2 4.44Å; F450-F475 CarbonylContact O-C 3.54Å; F450-F475 WeakPolarHBondContact O-CA 3.42Å; F450-F475 WeakPolarHBondContact O-CB 3.5Å; I451-F475 HydrophobicContact CG1-CB 3.96Å; M470-F475 VanDerWaalsContact CE-O 3.29Å; M470-F475 WeakPolarHBondContact CE-O 3.29Å; F475-E478 HydrophobicContact CE2-CB 4.11Å; F475-E478 HydrophobicContact CE2-CG 4.06Å; F475-I524 HydrophobicContact CE2-CG2 4.41Å; F475-H527 HydrophobicContact CZ-CB 4.13Å; F475-R531 VanDerWaalsContact O-CZ 3.25Å; F475-R531 PolarHBondContact O-NH1 3.4Å; F475-R531 PolarHBondContact O-NH2 3.43Å
476	F	92.2	Very high	87.7	Confident	10 Å²	10	34.4 Å²	34.4	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.7	179.2	63.9	-81.4	0	0	0	112.9	I439 I449 F450 I452 L457 M470 E478 V494 L502	I439-F476 HydrophobicContact CG2-CE2 4.02Å; I439-F476 HydrophobicContact CG2-CZ 3.9Å; I449-F476 WeakPolarHBondContact CG2-O 3.42Å; F450-F476 HydrophobicContact CB-CD1 3.95Å; F450-F476 HydrophobicContact CB-CD2 4.24Å; F450-F476 HydrophobicContact CB-CE1 3.44Å; F450-F476 VanDerWaalsContact CB-CE1 3.44Å; F450-F476 HydrophobicContact CB-CE2 3.8Å; F450-F476 HydrophobicContact CB-CG 4.32Å; F450-F476 HydrophobicContact CB-CZ 3.37Å; F450-F476 AromaticContact CD2-CD2 3.97Å; F450-F476 HydrophobicContact CD2-CD2 3.97Å; F450-F476 AromaticContact CD2-CE2 3.39Å; F450-F476 HydrophobicContact CD2-CE2 3.39Å; F450-F476 AromaticContact CD2-CZ 3.78Å; F450-F476 HydrophobicContact CD2-CZ 3.78Å; F450-F476 HydrophobicContact CE2-CE2 4.2Å; F450-F476 HydrophobicContact CG-CE1 4.26Å; F450-F476 AromaticContact CG-CE2 3.81Å; F450-F476 HydrophobicContact CG-CE2 3.81Å; F450-F476 AromaticContact CG-CZ 3.67Å; F450-F476 HydrophobicContact CG-CZ 3.67Å; F450-F476 PolarHBondContact N-O 3.47Å; F450-F476 PolarHBondContact O-N 3.4Å; I452-F476 HydrophobicContact CD1-CD1 4.32Å; I452-F476 HydrophobicContact CD1-CE1 4.27Å; I452-F476 HydrophobicContact CG1-CD1 4.22Å; I452-F476 HydrophobicContact CG1-CE1 3.95Å; L457-F476 HydrophobicContact CD1-CD1 4.19Å; L457-F476 HydrophobicContact CD1-CE1 3.28Å; L457-F476 HydrophobicContact CD1-CZ 3.6Å; M470-F476 HydrophobicContact CE-CB 3.78Å; M470-F476 HydrophobicContact CE-CD1 4.11Å; M470-F476 HydrophobicContact CE-CG 4.36Å; M470-F476 HydrophobicContact SD-CB 4.04Å; M470-F476 HydrophobicContact SD-CD1 4.32Å; M470-F476 HydrophobicContact SD-CG 4.37Å; F476-E478 VanDerWaalsContact C-OE2 3.32Å; F476-E478 VanDerWaalsContact CA-OE2 3.25Å; F476-E478 WeakPolarHBondContact CA-OE2 3.3Å; F476-V494 HydrophobicContact CD2-CG2 4.25Å; F476-V494 HydrophobicContact CE2-CB 4.36Å; F476-V494 HydrophobicContact CE2-CG1 4.06Å; F476-V494 HydrophobicContact CE2-CG2 4.35Å; F476-V494 HydrophobicContact CZ-CG1 4.19Å; F476-L502 HydrophobicContact CE1-CD1 4.28Å; F476-L502 HydrophobicContact CZ-CD1 3.96Å
477	G	90.8	Very high	87.5	Confident	14 Å²	14	34.3 Å²	34.3	14%	0.144	21%	0.21	C	C	.	.			trans	98	-0.5	179.9	0	0	0	0	0	114	I479 V481 R490	G477-I479 VanDerWaalsContact C-N 3.35Å; G477-I479 PolarHBondContact O-N 3.29Å; G477-V481 WeakPolarHBondContact O-CG2 3.44Å; G477-V481 PolarHBondContact O-N 3.09Å; G477-R490 VanDerWaalsContact CA-NH1 3.3Å
478	E	88.8	Confident	87.6	Confident	3 Å²	3	34.2 Å²	34.2	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-36.2	-178.9	73.8	-71.8	177.8	0	0	113.6	I449 F475 F476 G480 V481 L482 I524 A528 R531	I449-E478 HydrophobicContact CD1-CB 4.07Å; F475-E478 HydrophobicContact CE2-CB 4.11Å; F475-E478 HydrophobicContact CE2-CG 4.06Å; F476-E478 VanDerWaalsContact C-OE2 3.32Å; F476-E478 VanDerWaalsContact CA-OE2 3.25Å; F476-E478 WeakPolarHBondContact CA-OE2 3.3Å; E478-G480 PolarHBondContact O-N 3.25Å; E478-V481 PolarHBondContact O-N 2.94Å; E478-L482 WeakPolarHBondContact O-CB 3.41Å; E478-L482 PolarHBondContact O-N 2.86Å; E478-I524 HydrophobicContact CB-CG2 3.64Å; E478-I524 HydrophobicContact CG-CG2 4.14Å; E478-A528 HydrophobicContact CG-CB 3.77Å; E478-R531 VanDerWaalsContact CD-NH1 3.3Å; E478-R531 VanDerWaalsContact OE1-CD 3.25Å; E478-R531 WeakPolarHBondContact OE1-CD 3.31Å; E478-R531 IonicContact OE1-CZ 3.62Å; E478-R531 IonicContact OE1-NE 3.92Å; E478-R531 IonicContact OE1-NH1 2.92Å; E478-R531 PolarHBondContact OE1-NH1 2.92Å; E478-R531 IonicContact OE2-NH1 3.71Å; E478-R531 PolarHBondContact OE2-NH1 3.38Å
479	I	89.3	Confident	87.8	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-51	-175.2	-65.1	163.9	0	0	0	110.9	G477 N483 V484 T491 A528 R531 L532	G477-I479 VanDerWaalsContact C-N 3.35Å; G477-I479 PolarHBondContact O-N 3.29Å; I479-N483 PolarHBondContact O-N 2.84Å; I479-V484 PolarHBondContact O-N 3.21Å; I479-V484 VanDerWaalsContact O-N 3.11Å; I479-T491 HydrophobicContact CB-CG2 4.23Å; I479-T491 HydrophobicContact CD1-CG2 4.38Å; I479-T491 HydrophobicContact CG2-CG2 3.59Å; I479-A528 HydrophobicContact CG1-CB 3.91Å; I479-R531 HydrophobicContact CD1-CB 4.15Å; I479-L532 HydrophobicContact CD1-CD2 4.17Å; I479-L532 HydrophobicContact CD1-CG 3.92Å; I479-L532 HydrophobicContact CG1-CG 4.14Å; I479-L532 HydrophobicContact CG2-CD1 3.79Å; I479-L532 HydrophobicContact CG2-CD2 3.81Å; I479-L532 HydrophobicContact CG2-CG 3.84Å
480	G	87.2	Confident	87.7	Confident	3 Å²	3	29.9 Å²	29.9	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-71.8	-40	-179.3	0	0	0	0	0	112.4	E478 N483 N488 K489	E478-G480 PolarHBondContact O-N 3.25Å; G480-N483 PolarHBondContact O-N 2.81Å; G480-N488 PolarHBondContact O-OD1 3.01Å; G480-K489 WeakPolarHBondContact CA-O 3.28Å
481	V	88	Confident	87.5	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-42.3	-178.3	170.7	0	0	0	0	112.1	A446 I449 G477 E478 N483 R507 I510	A446-V481 HydrophobicContact CB-CG2 4.15Å; I449-V481 HydrophobicContact CD1-CB 4.17Å; I449-V481 HydrophobicContact CD1-CG1 4.12Å; I449-V481 HydrophobicContact CG1-CB 3.95Å; I449-V481 HydrophobicContact CG1-CG1 4.05Å; I449-V481 HydrophobicContact CG1-CG2 3.78Å; G477-V481 WeakPolarHBondContact O-CG2 3.44Å; G477-V481 PolarHBondContact O-N 3.09Å; E478-V481 PolarHBondContact O-N 2.94Å; V481-N483 VanDerWaalsContact C-N 3.26Å; V481-N483 PolarHBondContact O-N 2.56Å; V481-R507 HydrophobicContact CG1-CB 4.13Å; V481-R507 HydrophobicContact CG1-CG 3.99Å; V481-I510 HydrophobicContact CG1-CG2 3.74Å
482	L	87.5	Confident	87.4	Confident	12 Å²	12	29.6 Å²	29.6	6%	0.063	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.1	176.4	-66.7	-177.1	0	0	0	114	E478 V484 L511 L514 I524	E478-L482 WeakPolarHBondContact O-CB 3.41Å; E478-L482 PolarHBondContact O-N 2.86Å; L482-V484 VanDerWaalsContact C-N 3.28Å; L482-V484 HydrophobicContact CB-CG2 3.66Å; L482-V484 PolarHBondContact O-N 2.88Å; L482-L511 HydrophobicContact CD2-CD2 4.11Å; L482-L514 HydrophobicContact CD2-CD1 3.54Å; L482-I524 HydrophobicContact CD1-CB 3.91Å; L482-I524 HydrophobicContact CD1-CG2 3.4Å; L482-I524 HydrophobicContact CG-CG2 4.44Å
483	N	86	Confident	87.5	Confident	68 Å²	68	29.6 Å²	29.6	36%	0.364	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	42.8	179.2	-160.5	34.7	0	0	0	113.1	I479 G480 V481 G486 V487 N488	I479-N483 PolarHBondContact O-N 2.84Å; G480-N483 PolarHBondContact O-N 2.81Å; V481-N483 VanDerWaalsContact C-N 3.26Å; V481-N483 PolarHBondContact O-N 2.56Å; N483-G486 PolarHBondContact O-N 2.73Å; N483-G486 PolarHBondContact OD1-O 3.12Å; N483-V487 VanDerWaalsContact OD1-CA 3.29Å; N483-V487 WeakPolarHBondContact OD1-CA 3.14Å; N483-V487 PolarHBondContact OD1-N 2.95Å; N483-N488 PolarHBondContact OD1-N 3.01Å; N483-N488 VanDerWaalsContact OD1-N 3.13Å
484	V	79.4	Confident	87.8	Confident	36 Å²	36	29.8 Å²	29.8	22%	0.218	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-32.3	-170.3	-177	0	0	0	0	112.5	I479 L482 G486 A528 L532	I479-V484 PolarHBondContact O-N 3.21Å; I479-V484 VanDerWaalsContact O-N 3.11Å; L482-V484 VanDerWaalsContact C-N 3.28Å; L482-V484 HydrophobicContact CB-CG2 3.66Å; L482-V484 PolarHBondContact O-N 2.88Å; V484-G486 VanDerWaalsContact C-N 3.3Å; V484-A528 HydrophobicContact CB-CB 4.41Å; V484-A528 HydrophobicContact CG1-CB 4.39Å; V484-A528 HydrophobicContact CG2-CB 3.76Å; V484-L532 HydrophobicContact CB-CD1 4.08Å; V484-L532 HydrophobicContact CG1-CD1 3.76Å
485	D	76.5	Confident	88	Confident	55 Å²	55	31.1 Å²	31.1	29%	0.294	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	8.1	174.5	63.1	-13.6	0	0	0	113	V487 L532	D485-V487 PolarHBondContact O-N 3.11Å; D485-V487 PolarHBondContact OD1-N 3.39Å; D485-L532 HydrophobicContact CB-CD1 4.28Å
486	G	78.7	Confident	88.2	Confident	49 Å²	49	31 Å²	31	51%	0.505	18%	0.179	S	C	.	.	S	Bend	trans	75.9	0.4	-174.8	0	0	0	0	0	114.1	N483 V484	N483-G486 PolarHBondContact O-N 2.73Å; N483-G486 PolarHBondContact OD1-O 3.12Å; V484-G486 VanDerWaalsContact C-N 3.3Å
487	V	81.5	Confident	88.3	Confident	67 Å²	67	33.8 Å²	33.8	41%	0.406	20%	0.196	S	C	.	.	S	Bend	trans	-123.3	122	179.7	-169.5	0	0	0	0	110.7	N483 D485 K489	N483-V487 VanDerWaalsContact OD1-CA 3.29Å; N483-V487 WeakPolarHBondContact OD1-CA 3.14Å; N483-V487 PolarHBondContact OD1-N 2.95Å; D485-V487 PolarHBondContact O-N 3.11Å; D485-V487 PolarHBondContact OD1-N 3.39Å; V487-K489 HydrophobicContact CG1-CB 3.89Å; V487-K489 HydrophobicContact CG1-CD 3.69Å; V487-K489 HydrophobicContact CG1-CG 3.71Å; V487-K489 PolarHBondContact O-N 2.76Å
488	N	88.4	Confident	88.5	Confident	43 Å²	43	34.5 Å²	34.5	23%	0.23	20%	0.203	C	C	.	.			trans	-76.4	60.8	175.7	-175.2	13.8	0	0	0	112	I445 A446 G480 N483	I445-N488 WeakPolarHBondContact CA-O 3.27Å; A446-N488 PolarHBondContact N-O 3.09Å; A446-N488 PolarHBondContact O-OD1 3.42Å; G480-N488 PolarHBondContact O-OD1 3.01Å; N483-N488 PolarHBondContact OD1-N 3.01Å; N483-N488 VanDerWaalsContact OD1-N 3.13Å
489	K	91.4	Very high	88.7	Confident	72 Å²	72	37.7 Å²	37.7	31%	0.313	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-134.5	156.5	-178.4	-72.2	-179.1	179	-178.5	0	112.2	G443 E444 G480 V487	G443-K489 WeakPolarHBondContact O-CD 3.24Å; E444-K489 CarbonylContact O-C 3.55Å; E444-K489 WeakPolarHBondContact O-CA 3.49Å; G480-K489 WeakPolarHBondContact CA-O 3.28Å; V487-K489 HydrophobicContact CG1-CB 3.89Å; V487-K489 HydrophobicContact CG1-CD 3.69Å; V487-K489 HydrophobicContact CG1-CG 3.71Å; V487-K489 PolarHBondContact O-N 2.76Å
490	R	91.6	Very high	88.9	Confident	19 Å²	19	37.3 Å²	37.3	7%	0.072	21%	0.214	C	C	.	.			trans	-69.1	133.9	171.6	-60.3	-60.7	-176	-172.6	0.6	109.6	C440 R441 G443 E444 E448 G477	C440-R490 HydrophobicContact CB-CG 4.16Å; R441-R490 VanDerWaalsContact O-CB 3.28Å; R441-R490 WeakPolarHBondContact O-CB 3.37Å; G443-R490 PolarHBondContact N-O 2.98Å; E444-R490 HydrophobicContact CB-CG 4.14Å; E444-R490 WeakPolarHBondContact O-CG 3.3Å; E444-R490 PolarHBondContact O-N 3.04Å; E448-R490 VanDerWaalsContact O-CZ 3.29Å; E448-R490 PolarHBondContact O-NH1 3.47Å; E448-R490 PolarHBondContact O-NH2 3.43Å; E448-R490 IonicContact OE2-NH2 3.83Å; E448-R490 PolarHBondContact OE2-NH2 3.01Å; G477-R490 VanDerWaalsContact CA-NH1 3.3Å
491	T	87.9	Confident	89.2	Confident	52 Å²	52	38.7 Å²	38.7	32%	0.319	22%	0.219	S	C	.	.			trans	-86.1	-25.9	-175.4	47.8	0	0	0	0	114.2	I479 L532	I479-T491 HydrophobicContact CB-CG2 4.23Å; I479-T491 HydrophobicContact CD1-CG2 4.38Å; I479-T491 HydrophobicContact CG2-CG2 3.59Å; T491-L532 HydrophobicContact CG2-CD2 4.15Å
492	A	88.9	Confident	89.4	Confident	17 Å²	17	38.7 Å²	38.7	14%	0.14	22%	0.22	C	C	.	.	S	Bend	trans	-149.3	161.2	-176.6	0	0	0	0	0	111.2	V459	V459-A492 HydrophobicContact CG1-CB 3.57Å
493	D	92.4	Very high	89.6	Confident	39 Å²	39	39.3 Å²	39.3	21%	0.209	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.2	170.6	-68	-35.8	0	0	0	109.6	L438 C440 R441 K442 V459 I460	L438-D493 HydrophobicContact CD2-CB 4.37Å; C440-D493 WeakPolarHBondContact O-CA 3.29Å; R441-D493 WeakPolarHBondContact CA-OD1 3.37Å; K442-D493 PolarHBondContact N-OD1 3.04Å; V459-D493 CarbonylContact C-O 3.56Å; V459-D493 WeakPolarHBondContact CA-O 3.33Å; I460-D493 HydrophobicContact CB-CB 4.1Å; I460-D493 PolarHBondContact N-O 3.32Å
494	V	94.7	Very high	89.9	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.3	176.6	-177	0	0	0	0	108.9	L438 I439 C440 L457 E458 V459 F476	L438-V494 CarbonylContact C-O 3.17Å; L438-V494 WeakPolarHBondContact CA-O 3.33Å; I439-V494 HydrophobicContact CD1-CG1 4.38Å; I439-V494 PolarHBondContact N-O 2.71Å; C440-V494 HydrophobicContact CB-CB 4.12Å; C440-V494 HydrophobicContact CB-CG2 4.09Å; C440-V494 PolarHBondContact O-N 3.03Å; L457-V494 HydrophobicContact CB-CG1 4.08Å; L457-V494 HydrophobicContact CD1-CG1 4.03Å; E458-V494 WeakPolarHBondContact O-CA 3.33Å; V459-V494 HydrophobicContact CG2-CG2 4.41Å; F476-V494 HydrophobicContact CD2-CG2 4.25Å; F476-V494 HydrophobicContact CE2-CB 4.36Å; F476-V494 HydrophobicContact CE2-CG1 4.06Å; F476-V494 HydrophobicContact CE2-CG2 4.35Å; F476-V494 HydrophobicContact CZ-CG1 4.19Å
495	R	94.9	Very high	90.6	Very high	73 Å²	73	35 Å²	35	28%	0.275	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141	-177.7	-172.3	178.6	64	-160.2	-6.6	111.8	D437 L438 L457 E458 I460	D437-R495 CarbonylContact O-C 3.35Å; D437-R495 VanDerWaalsContact O-CA 3.27Å; D437-R495 WeakPolarHBondContact O-CA 3.08Å; L438-R495 HydrophobicContact CD2-CB 4.05Å; L438-R495 HydrophobicContact CD2-CG 4.46Å; L457-R495 CarbonylContact C-O 3.49Å; L457-R495 WeakPolarHBondContact CA-O 3.4Å; E458-R495 PolarHBondContact N-O 2.83Å; E458-R495 PolarHBondContact O-N 3.12Å; E458-R495 IonicContact OE2-CZ 2.7Å; E458-R495 IonicContact OE2-NH2 3.74Å; E458-R495 PolarHBondContact OE2-NH2 2.76Å; I460-R495 HydrophobicContact CD1-CB 3.54Å; I460-R495 HydrophobicContact CD1-CG 4.36Å; I460-R495 HydrophobicContact CG1-CB 4.49Å
496	A	96.1	Very high	91.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.7	170	0	0	0	0	0	111.3	F433 G436 D437 I439 L457 G498 A500	F433-A496 HydrophobicContact CB-CB 4.34Å; G436-A496 PolarHBondContact N-O 3.25Å; D437-A496 PolarHBondContact O-N 3.33Å; I439-A496 HydrophobicContact CD1-CB 4.26Å; L457-A496 HydrophobicContact CD2-CB 3.88Å; A496-G498 WeakPolarHBondContact CB-O 3.27Å; A496-A500 HydrophobicContact CB-CB 4.17Å
497	V	95	Very high	92.1	Very high	68 Å²	68	35.7 Å²	35.7	41%	0.412	19%	0.185	S	C	.	.	S	Bend	trans	-77.3	-43.1	175.7	-179	0	0	0	0	110.7	V456 E458	V456-V497 HydrophobicContact CG1-CG2 4.28Å; V456-V497 WeakPolarHBondContact O-CB 3.43Å; V456-V497 PolarHBondContact O-N 3.33Å; E458-V497 HydrophobicContact CB-CG2 4.2Å; E458-V497 HydrophobicContact CG-CG2 3.45Å; E458-V497 VanDerWaalsContact CG-CG2 3.45Å
498	G	94.2	Very high	92.6	Very high	28 Å²	28	40.4 Å²	40.4	29%	0.289	20%	0.203	S	C	.	.	S	Bend	trans	-123.2	-158.2	175.5	0	0	0	0	0	110.8	A496 A500	A496-G498 WeakPolarHBondContact CB-O 3.27Å; G498-A500 PolarHBondContact O-N 3.17Å
499	Y	93.7	Very high	92.9	Very high	71 Å²	71	41 Å²	41	28%	0.278	21%	0.205	S	C	.	.			trans	-65.1	134.4	164	-65	-87.9	0	0	0	109.1	R367 Y371 F433 T434 P435	R367-Y499 WeakPolarHBondContact CD-OH 3.36Å; R367-Y499 HydrophobicContact CG-CE1 4.3Å; R367-Y499 WeakPolarHBondContact CG-OH 3.42Å; Y371-Y499 VanDerWaalsContact CB-CE1 3.5Å; Y371-Y499 AromaticContact CD1-CD1 3.79Å; Y371-Y499 HydrophobicContact CD1-CD1 3.79Å; Y371-Y499 HydrophobicContact CD1-CE1 4.31Å; Y371-Y499 HydrophobicContact CD1-CG 4.34Å; Y371-Y499 AromaticContact CD2-CD1 3.42Å; Y371-Y499 HydrophobicContact CD2-CD1 3.42Å; Y371-Y499 VanDerWaalsContact CD2-CD1 3.42Å; Y371-Y499 AromaticContact CD2-CD2 3.86Å; Y371-Y499 HydrophobicContact CD2-CD2 3.86Å; Y371-Y499 AromaticContact CD2-CE1 3.58Å; Y371-Y499 HydrophobicContact CD2-CE1 3.58Å; Y371-Y499 HydrophobicContact CD2-CE2 4.03Å; Y371-Y499 AromaticContact CD2-CG 3.53Å; Y371-Y499 HydrophobicContact CD2-CG 3.53Å; Y371-Y499 AromaticContact CD2-CZ 3.84Å; Y371-Y499 HydrophobicContact CE1-CD1 4.17Å; Y371-Y499 HydrophobicContact CE1-CG 4.31Å; Y371-Y499 AromaticContact CE2-CD1 3.84Å; Y371-Y499 HydrophobicContact CE2-CD1 3.84Å; Y371-Y499 AromaticContact CE2-CD2 3.85Å; Y371-Y499 HydrophobicContact CE2-CD2 3.85Å; Y371-Y499 HydrophobicContact CE2-CE1 4.4Å; Y371-Y499 HydrophobicContact CE2-CE2 4.43Å; Y371-Y499 AromaticContact CE2-CG 3.49Å; Y371-Y499 HydrophobicContact CE2-CG 3.49Å; Y371-Y499 VanDerWaalsContact CE2-CG 3.49Å; Y371-Y499 AromaticContact CG-CD1 3.39Å; Y371-Y499 HydrophobicContact CG-CD1 3.39Å; Y371-Y499 AromaticContact CG-CE1 3.52Å; Y371-Y499 HydrophobicContact CG-CE1 3.52Å; Y371-Y499 AromaticContact CG-CG 3.97Å; Y371-Y499 HydrophobicContact CG-CG 3.97Å; Y371-Y499 AromaticContact CZ-CG 3.91Å; F433-Y499 WeakPolarHBondContact O-CA 3.39Å; T434-Y499 HydrophobicContact CG2-CE1 4.18Å; P435-Y499 HydrophobicContact CG-CD2 4.2Å; P435-Y499 HydrophobicContact CG-CE2 4.26Å; P435-Y499 HydrophobicContact CG-CG 4.5Å
500	A	93.8	Very high	92.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.2	179	0	0	0	0	0	109.9	V432 F433 D454 L457 A496 G498 L502	V432-A500 WeakPolarHBondContact CA-O 3.14Å; F433-A500 HydrophobicContact CB-CB 4.48Å; F433-A500 PolarHBondContact N-O 3.4Å; F433-A500 PolarHBondContact O-N 3.38Å; F433-A500 VanDerWaalsContact O-N 3.15Å; D454-A500 WeakPolarHBondContact O-CA 2.84Å; L457-A500 HydrophobicContact CD2-CB 3.63Å; A496-A500 HydrophobicContact CB-CB 4.17Å; G498-A500 PolarHBondContact O-N 3.17Å; A500-L502 HydrophobicContact CB-CD2 4.42Å
501	E	92	Very high	93	Very high	32 Å²	32	40.1 Å²	40.1	15%	0.15	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.5	176.5	-64.1	175.6	-156.7	0	0	107.8	Y371 K375 V432 A453 D454	Y371-E501 HydrophobicContact CE1-CG 4.28Å; Y371-E501 PolarHBondContact OH-OE1 3.37Å; K375-E501 WeakPolarHBondContact CD-OE1 3.27Å; K375-E501 VanDerWaalsContact CE-OE1 3.26Å; K375-E501 WeakPolarHBondContact CE-OE1 3.39Å; K375-E501 WeakPolarHBondContact CG-OE1 3.4Å; K375-E501 IonicContact NZ-OE1 2.98Å; K375-E501 PolarHBondContact NZ-OE1 3.42Å; V432-E501 HydrophobicContact CG2-CG 4.41Å; A453-E501 WeakPolarHBondContact CA-O 3.01Å; A453-E501 HydrophobicContact CB-CB 4.33Å; A453-E501 VanDerWaalsContact CB-O 3.3Å; A453-E501 WeakPolarHBondContact CB-O 3.17Å; A453-E501 PolarHBondContact N-O 2.91Å; D454-E501 HydrophobicContact CB-CB 4.11Å; D454-E501 HydrophobicContact CB-CG 4.43Å; D454-E501 PolarHBondContact N-O 2.96Å; D454-E501 VanDerWaalsContact N-O 3.11Å; D454-E501 PolarHBondContact O-N 2.82Å
502	L	92.6	Very high	93.2	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.7	-175.8	-50.3	-174.4	0	0	0	110.5	P430 L431 F433 I439 F450 I451 I452 L457 F476 A500	P430-L502 CarbonylContact C-O 3.59Å; P430-L502 WeakPolarHBondContact CA-O 3.33Å; L431-L502 PolarHBondContact N-O 2.97Å; L431-L502 PolarHBondContact O-N 3.35Å; F433-L502 HydrophobicContact CD2-CD1 3.7Å; F433-L502 HydrophobicContact CD2-CG 4.11Å; F433-L502 HydrophobicContact CE2-CD1 3.57Å; F433-L502 HydrophobicContact CE2-CG 4.26Å; I439-L502 HydrophobicContact CD1-CD1 4Å; I439-L502 HydrophobicContact CG2-CD1 4.12Å; F450-L502 HydrophobicContact CB-CD1 4.25Å; F450-L502 HydrophobicContact CD1-CB 4.46Å; F450-L502 HydrophobicContact CD1-CD1 3.95Å; F450-L502 HydrophobicContact CG-CD1 4.32Å; I451-L502 CarbonylContact O-C 3.54Å; I451-L502 VanDerWaalsContact O-CA 3.25Å; I451-L502 WeakPolarHBondContact O-CA 3.24Å; I452-L502 HydrophobicContact CB-CD2 4.05Å; I452-L502 HydrophobicContact CG1-CD2 3.83Å; I452-L502 HydrophobicContact CG2-CD2 4.01Å; L457-L502 HydrophobicContact CD1-CD1 4.44Å; L457-L502 HydrophobicContact CD1-CD2 4.12Å; F476-L502 HydrophobicContact CE1-CD1 4.28Å; F476-L502 HydrophobicContact CZ-CD1 3.96Å; A500-L502 HydrophobicContact CB-CD2 4.42Å
503	F	91.8	Very high	93.4	Very high	24 Å²	24	43.3 Å²	43.3	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.5	160.8	-67.5	-66.6	0	0	0	109.7	T406 M428 R429 P430 F450 I451 A453	T406-F503 HydrophobicContact CG2-CE2 4.15Å; M428-F503 HydrophobicContact CB-CB 4.24Å; M428-F503 HydrophobicContact CB-CD1 4.38Å; M428-F503 HydrophobicContact CG-CB 4.47Å; M428-F503 HydrophobicContact SD-CB 4.27Å; R429-F503 WeakPolarHBondContact O-CA 3.4Å; P430-F503 HydrophobicContact CB-CD1 4.37Å; P430-F503 HydrophobicContact CB-CE1 4.19Å; F450-F503 CarbonylContact C-O 3.52Å; F450-F503 WeakPolarHBondContact CA-O 3.46Å; I451-F503 HydrophobicContact CB-CB 4.27Å; I451-F503 PolarHBondContact N-O 3.48Å; I451-F503 PolarHBondContact O-N 3.48Å; A453-F503 HydrophobicContact CB-CD2 4.01Å; A453-F503 HydrophobicContact CB-CE2 3.73Å
504	V	92.7	Very high	93.4	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.055	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.3	-179	-171.7	0	0	0	0	109.1	M428 R429 L431 E448 F450	M428-V504 WeakPolarHBondContact CA-O 3.19Å; R429-V504 PolarHBondContact N-O 2.85Å; R429-V504 PolarHBondContact O-N 2.94Å; L431-V504 HydrophobicContact CB-CG2 3.52Å; L431-V504 HydrophobicContact CD2-CG2 3.63Å; L431-V504 HydrophobicContact CG-CG2 4.23Å; E448-V504 HydrophobicContact CB-CG1 3.55Å; E448-V504 HydrophobicContact CG-CG1 3.62Å; F450-V504 HydrophobicContact CD1-CB 4.47Å; F450-V504 HydrophobicContact CD1-CG1 4.39Å; F450-V504 HydrophobicContact CD1-CG2 3.78Å; F450-V504 HydrophobicContact CE1-CB 4.41Å; F450-V504 HydrophobicContact CE1-CG1 4Å; F450-V504 HydrophobicContact CE1-CG2 3.7Å
505	L	93.1	Very high	93.2	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127	172.8	-172.2	62	0	0	0	109.7	I424 K427 M428 E448 I449 D509 I510	I424-L505 HydrophobicContact CB-CD2 4.07Å; I424-L505 HydrophobicContact CG2-CD2 4.11Å; K427-L505 HydrophobicContact CB-CD1 3.67Å; M428-L505 HydrophobicContact CG-CD1 4.36Å; E448-L505 CarbonylContact C-O 3.55Å; E448-L505 WeakPolarHBondContact CA-O 3.17Å; E448-L505 WeakPolarHBondContact CB-O 3.14Å; I449-L505 PolarHBondContact N-O 3.34Å; I449-L505 PolarHBondContact O-N 3.36Å; L505-D509 HydrophobicContact CD1-CB 3.86Å; L505-D509 HydrophobicContact CG-CB 4.48Å; L505-I510 HydrophobicContact CD2-CB 3.68Å; L505-I510 HydrophobicContact CD2-CD1 3.65Å; L505-I510 HydrophobicContact CD2-CG1 3.96Å; L505-I510 HydrophobicContact CG-CB 4.04Å
506	S	94.6	Very high	93.1	Very high	26 Å²	26	50.6 Å²	50.6	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	151.5	-179.1	87.3	0	0	0	0	111.4	E508 D509 I510	S506-E508 VanDerWaalsContact C-N 3.28Å; S506-E508 PolarHBondContact O-N 2.85Å; S506-D509 PolarHBondContact O-N 3.41Å; S506-D509 WeakPolarHBondContact OG-CB 3.25Å; S506-D509 PolarHBondContact OG-N 3.41Å; S506-D509 PolarHBondContact OG-OD2 3.45Å; S506-I510 WeakPolarHBondContact O-CG2 3.5Å; S506-I510 PolarHBondContact O-N 2.65Å
507	R	93.1	Very high	92.9	Very high	94 Å²	94	51 Å²	51	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-56.1	-41.6	176	171.9	164.1	-174.7	-107.7	1.3	112.3	R447 V481 I510 L511	R447-R507 WeakPolarHBondContact O-CB 3.32Å; R447-R507 PolarHBondContact O-N 2.94Å; V481-R507 HydrophobicContact CG1-CB 4.13Å; V481-R507 HydrophobicContact CG1-CG 3.99Å; R507-I510 WeakPolarHBondContact O-CG2 3.4Å; R507-L511 HydrophobicContact CG-CD1 3.63Å; R507-L511 HydrophobicContact CG-CG 4.23Å; R507-L511 VanDerWaalsContact O-CB 3.3Å; R507-L511 WeakPolarHBondContact O-CB 3.49Å; R507-L511 WeakPolarHBondContact O-CG 3.36Å; R507-L511 PolarHBondContact O-N 2.87Å
508	E	92.6	Very high	92.7	Very high	166 Å²	166	51.9 Å²	51.9	78%	0.776	26%	0.256	S	S	*	.	H	α-helix	trans	-65.4	-43.9	-179	-64.5	177.7	-171.8	0	0	111.2	S506 K512	S506-E508 VanDerWaalsContact C-N 3.28Å; S506-E508 PolarHBondContact O-N 2.85Å; E508-K512 WeakPolarHBondContact O-CB 3.43Å; E508-K512 PolarHBondContact O-N 2.82Å
509	D	93.7	Very high	92.5	Very high	54 Å²	54	53.1 Å²	53.1	29%	0.289	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-42.5	-178.7	-71.4	-42.9	0	0	0	112.7	K427 L505 S506 A513	K427-D509 HydrophobicContact CB-CB 4.15Å; K427-D509 HydrophobicContact CD-CB 3.67Å; L505-D509 HydrophobicContact CD1-CB 3.86Å; L505-D509 HydrophobicContact CG-CB 4.48Å; S506-D509 PolarHBondContact O-N 3.41Å; S506-D509 WeakPolarHBondContact OG-CB 3.25Å; S506-D509 PolarHBondContact OG-N 3.41Å; S506-D509 PolarHBondContact OG-OD2 3.45Å; D509-A513 PolarHBondContact O-N 2.78Å; D509-A513 VanDerWaalsContact O-N 3.08Å
510	I	92	Very high	92.3	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-72.1	-42.8	178.8	-168.7	150.2	0	0	0	112	I449 V481 L505 S506 R507 K512 A513 L514 I524	I449-I510 HydrophobicContact CD1-CD1 3.44Å; I449-I510 VanDerWaalsContact CD1-CD1 3.44Å; I449-I510 HydrophobicContact CD1-CG1 4.45Å; I449-I510 HydrophobicContact CD1-CG2 4.44Å; I449-I510 HydrophobicContact CG1-CD1 4.22Å; V481-I510 HydrophobicContact CG1-CG2 3.74Å; L505-I510 HydrophobicContact CD2-CB 3.68Å; L505-I510 HydrophobicContact CD2-CD1 3.65Å; L505-I510 HydrophobicContact CD2-CG1 3.96Å; L505-I510 HydrophobicContact CG-CB 4.04Å; S506-I510 WeakPolarHBondContact O-CG2 3.5Å; S506-I510 PolarHBondContact O-N 2.65Å; R507-I510 WeakPolarHBondContact O-CG2 3.4Å; I510-K512 PolarHBondContact O-N 2.83Å; I510-A513 PolarHBondContact O-N 3.03Å; I510-A513 VanDerWaalsContact O-N 3.14Å; I510-L514 HydrophobicContact CG1-CD1 3.76Å; I510-L514 HydrophobicContact CG1-CG 4Å; I510-L514 WeakPolarHBondContact O-CB 3.37Å; I510-L514 WeakPolarHBondContact O-CG 3.4Å; I510-L514 PolarHBondContact O-N 2.82Å; I510-I524 HydrophobicContact CD1-CD1 4.43Å
511	L	92.1	Very high	92.2	Very high	67 Å²	67	52.7 Å²	52.7	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-35.6	178	-70.6	176.6	0	0	0	111.4	L482 R507 K515	L482-L511 HydrophobicContact CD2-CD2 4.11Å; R507-L511 HydrophobicContact CG-CD1 3.63Å; R507-L511 HydrophobicContact CG-CG 4.23Å; R507-L511 VanDerWaalsContact O-CB 3.3Å; R507-L511 WeakPolarHBondContact O-CB 3.49Å; R507-L511 WeakPolarHBondContact O-CG 3.36Å; R507-L511 PolarHBondContact O-N 2.87Å; L511-K515 PolarHBondContact O-N 3.34Å; L511-K515 VanDerWaalsContact O-N 3.08Å
512	K	93.2	Very high	92.1	Very high	136 Å²	136	54.2 Å²	54.2	59%	0.591	28%	0.275	S	S	*	.	H	α-helix	trans	-63.6	-46.8	172.6	-172.5	177	179.8	-179.2	0	111.7	E508 I510 K515 D516	E508-K512 WeakPolarHBondContact O-CB 3.43Å; E508-K512 PolarHBondContact O-N 2.82Å; I510-K512 PolarHBondContact O-N 2.83Å; K512-K515 WeakPolarHBondContact O-CB 3.17Å; K512-K515 PolarHBondContact O-N 3.5Å; K512-D516 PolarHBondContact O-N 3.35Å
513	A	92.3	Very high	91.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-38.8	178.4	0	0	0	0	0	112.7	F420 I424 D509 I510 K515 D516 H517	F420-A513 HydrophobicContact CD2-CB 4.44Å; F420-A513 HydrophobicContact CE2-CB 4.04Å; I424-A513 HydrophobicContact CG2-CB 3.43Å; I424-A513 VanDerWaalsContact CG2-CB 3.43Å; D509-A513 PolarHBondContact O-N 2.78Å; D509-A513 VanDerWaalsContact O-N 3.08Å; I510-A513 PolarHBondContact O-N 3.03Å; I510-A513 VanDerWaalsContact O-N 3.14Å; A513-K515 VanDerWaalsContact C-N 3.31Å; A513-K515 PolarHBondContact O-N 2.87Å; A513-D516 PolarHBondContact O-N 2.74Å; A513-H517 PolarHBondContact O-CD2 3.21Å; A513-H517 PolarHBondContact O-N 2.85Å
514	L	92.4	Very high	91.8	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-30.7	178.1	-67.3	171.9	0	0	0	112.8	F420 L482 I510 D516 H517 A520 E521 I524	F420-L514 HydrophobicContact CE2-CD2 3.79Å; F420-L514 HydrophobicContact CE2-CG 4.43Å; F420-L514 HydrophobicContact CZ-CD2 3.98Å; L482-L514 HydrophobicContact CD2-CD1 3.54Å; I510-L514 HydrophobicContact CG1-CD1 3.76Å; I510-L514 HydrophobicContact CG1-CG 4Å; I510-L514 WeakPolarHBondContact O-CB 3.37Å; I510-L514 WeakPolarHBondContact O-CG 3.4Å; I510-L514 PolarHBondContact O-N 2.82Å; L514-D516 PolarHBondContact O-N 3.44Å; L514-H517 CarbonylContact O-C 3.49Å; L514-H517 PolarHBondContact O-N 3.37Å; L514-A520 HydrophobicContact CD2-CB 3.91Å; L514-E521 HydrophobicContact CB-CB 4.22Å; L514-E521 HydrophobicContact CB-CG 4.44Å; L514-E521 HydrophobicContact CD2-CB 4.12Å; L514-I524 HydrophobicContact CD1-CD1 4.24Å; L514-I524 HydrophobicContact CD2-CD1 3.56Å; L514-I524 HydrophobicContact CG-CD1 4.47Å
515	K	92.2	Very high	91.7	Very high	173 Å²	173	57.8 Å²	57.8	75%	0.752	29%	0.289	S	S	*	.	H	α-helix	trans	-61.4	-36.2	171.9	-173.4	-177.7	177.3	-176	0	112.1	L511 K512 A513	L511-K515 PolarHBondContact O-N 3.34Å; L511-K515 VanDerWaalsContact O-N 3.08Å; K512-K515 WeakPolarHBondContact O-CB 3.17Å; K512-K515 PolarHBondContact O-N 3.5Å; A513-K515 VanDerWaalsContact C-N 3.31Å; A513-K515 PolarHBondContact O-N 2.87Å
516	D	92.2	Very high	91.6	Very high	99 Å²	99	64.4 Å²	64.4	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-82.7	-24.6	179.3	-61.8	-29.7	0	0	0	112.1	K512 A513 L514	K512-D516 PolarHBondContact O-N 3.35Å; A513-D516 PolarHBondContact O-N 2.74Å; L514-D516 PolarHBondContact O-N 3.44Å
517	H	92.3	Very high	91.2	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.046	31%	0.312	C	S	.	.			trans	-127.3	81.9	179.8	-58.6	-84	0	0	0	111.8	R417 F420 D423 A513 L514 D519 A520 E521	R417-H517 PolarHBondContact NH2-CE1 2.6Å; R417-H517 PolarHBondContact NH2-ND1 3.4Å; F420-H517 HydrophobicContact CB-CB 4.36Å; F420-H517 HydrophobicContact CD2-CB 4.03Å; D423-H517 IonicContact OD2-CD2 2.71Å; D423-H517 IonicContact OD2-CE1 2.83Å; D423-H517 IonicContact OD2-NE2 3.17Å; D423-H517 PolarHBondContact OD2-NE2 3.45Å; A513-H517 PolarHBondContact O-CD2 3.21Å; A513-H517 PolarHBondContact O-N 2.85Å; L514-H517 CarbonylContact O-C 3.49Å; L514-H517 PolarHBondContact O-N 3.37Å; H517-D519 VanDerWaalsContact C-N 3.26Å; H517-D519 PolarHBondContact O-N 2.91Å; H517-A520 HydrophobicContact CB-CB 4.18Å; H517-A520 WeakPolarHBondContact O-CB 3.33Å; H517-A520 PolarHBondContact O-N 3.15Å; H517-E521 PolarHBondContact O-N 3.02Å
518	P	90.6	Very high	91	Very high	87 Å²	87	59.3 Å²	59.3	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-68.7	-22.4	-177	27.6	-35.4	0	0	0	113.7	A520 E521 A522	P518-A520 VanDerWaalsContact C-N 3.34Å; P518-E521 PolarHBondContact O-N 3.42Å; P518-A522 PolarHBondContact O-N 3.43Å; P518-A522 VanDerWaalsContact O-N 3.09Å
519	D	90.2	Very high	90.8	Very high	54 Å²	54	53.9 Å²	53.9	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-60.3	-44.3	171.3	58.3	-52.8	0	0	0	111.2	R417 H517 A522 V523	R417-D519 WeakPolarHBondContact CG-OD2 3.26Å; R417-D519 IonicContact NE-OD2 3.9Å; H517-D519 VanDerWaalsContact C-N 3.26Å; H517-D519 PolarHBondContact O-N 2.91Å; D519-A522 PolarHBondContact O-N 2.98Å; D519-V523 WeakPolarHBondContact O-CG2 3.49Å; D519-V523 PolarHBondContact O-N 3.35Å
520	A	89.4	Confident	90.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-39.6	175.7	0	0	0	0	0	111.4	C416 F420 L514 H517 P518 A522 V523 I524	C416-A520 HydrophobicContact CB-CB 4.29Å; C416-A520 VanDerWaalsContact SG-CA 3.56Å; C416-A520 VanDerWaalsContact SG-CB 3.52Å; F420-A520 HydrophobicContact CB-CB 4.43Å; F420-A520 HydrophobicContact CD1-CB 3.92Å; F420-A520 HydrophobicContact CD2-CB 3.73Å; F420-A520 HydrophobicContact CE1-CB 4.04Å; F420-A520 HydrophobicContact CE2-CB 3.87Å; F420-A520 HydrophobicContact CG-CB 3.76Å; F420-A520 HydrophobicContact CZ-CB 4.02Å; L514-A520 HydrophobicContact CD2-CB 3.91Å; H517-A520 HydrophobicContact CB-CB 4.18Å; H517-A520 WeakPolarHBondContact O-CB 3.33Å; H517-A520 PolarHBondContact O-N 3.15Å; P518-A520 VanDerWaalsContact C-N 3.34Å; A520-A522 VanDerWaalsContact C-N 3.33Å; A520-A522 PolarHBondContact O-N 2.97Å; A520-V523 PolarHBondContact O-N 3.4Å; A520-I524 VanDerWaalsContact O-CG1 3.25Å; A520-I524 WeakPolarHBondContact O-CG1 3.33Å; A520-I524 PolarHBondContact O-N 2.78Å
521	E	90	Very high	90.3	Very high	61 Å²	61	59 Å²	59	29%	0.285	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-44	175.9	-165	-172.5	154.8	0	0	112.2	L514 H517 P518 V523 I524 R525	L514-E521 HydrophobicContact CB-CB 4.22Å; L514-E521 HydrophobicContact CB-CG 4.44Å; L514-E521 HydrophobicContact CD2-CB 4.12Å; H517-E521 PolarHBondContact O-N 3.02Å; P518-E521 PolarHBondContact O-N 3.42Å; E521-V523 PolarHBondContact O-N 3.21Å; E521-I524 PolarHBondContact O-N 3.26Å; E521-R525 WeakPolarHBondContact O-CB 2.97Å; E521-R525 PolarHBondContact O-N 2.87Å; E521-R525 IonicContact OE1-CZ 3.45Å; E521-R525 IonicContact OE1-NE 3.92Å; E521-R525 IonicContact OE1-NH2 2.66Å; E521-R525 PolarHBondContact OE1-NH2 3.47Å
522	A	90.3	Very high	89.9	Confident	64 Å²	64	56.8 Å²	56.8	53%	0.529	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-43	178.6	0	0	0	0	0	112.2	P518 D519 A520 K526	P518-A522 PolarHBondContact O-N 3.43Å; P518-A522 VanDerWaalsContact O-N 3.09Å; D519-A522 PolarHBondContact O-N 2.98Å; A520-A522 VanDerWaalsContact C-N 3.33Å; A520-A522 PolarHBondContact O-N 2.97Å; A522-K526 VanDerWaalsContact O-CB 3.3Å; A522-K526 WeakPolarHBondContact O-CB 3.17Å; A522-K526 PolarHBondContact O-N 2.99Å
523	V	90	Very high	89.6	Confident	19 Å²	19	51.2 Å²	51.2	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-49.8	177.2	170.9	0	0	0	0	111	E415 D519 A520 E521 R525 K526 H527	E415-V523 HydrophobicContact CB-CG1 3.78Å; E415-V523 HydrophobicContact CB-CG2 3.94Å; D519-V523 WeakPolarHBondContact O-CG2 3.49Å; D519-V523 PolarHBondContact O-N 3.35Å; A520-V523 PolarHBondContact O-N 3.4Å; E521-V523 PolarHBondContact O-N 3.21Å; V523-R525 VanDerWaalsContact C-N 3.34Å; V523-R525 PolarHBondContact O-N 2.83Å; V523-K526 WeakPolarHBondContact O-CB 3.47Å; V523-K526 PolarHBondContact O-N 2.82Å; V523-H527 PolarHBondContact O-CD2 2.71Å; V523-H527 PolarHBondContact O-N 3.22Å
524	I	88.9	Confident	89.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-43.6	-179.4	-58.9	175.5	0	0	0	110.5	I412 F420 F475 E478 L482 I510 L514 A520 E521 K526 H527 A528	I412-I524 HydrophobicContact CD1-CD1 3.54Å; I412-I524 HydrophobicContact CD1-CG1 3.33Å; I412-I524 HydrophobicContact CG1-CG1 3.94Å; F420-I524 HydrophobicContact CZ-CD1 4.32Å; F475-I524 HydrophobicContact CE2-CG2 4.41Å; E478-I524 HydrophobicContact CB-CG2 3.64Å; E478-I524 HydrophobicContact CG-CG2 4.14Å; L482-I524 HydrophobicContact CD1-CB 3.91Å; L482-I524 HydrophobicContact CD1-CG2 3.4Å; L482-I524 HydrophobicContact CG-CG2 4.44Å; I510-I524 HydrophobicContact CD1-CD1 4.43Å; L514-I524 HydrophobicContact CD1-CD1 4.24Å; L514-I524 HydrophobicContact CD2-CD1 3.56Å; L514-I524 HydrophobicContact CG-CD1 4.47Å; A520-I524 VanDerWaalsContact O-CG1 3.25Å; A520-I524 WeakPolarHBondContact O-CG1 3.33Å; A520-I524 PolarHBondContact O-N 2.78Å; E521-I524 PolarHBondContact O-N 3.26Å; I524-K526 VanDerWaalsContact C-N 3.32Å; I524-K526 PolarHBondContact O-N 3.3Å; I524-H527 PolarHBondContact O-N 2.86Å; I524-A528 WeakPolarHBondContact O-CB 3.3Å; I524-A528 PolarHBondContact O-N 3Å
525	R	90.3	Very high	88.6	Confident	91 Å²	91	57.2 Å²	57.2	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-39.1	177.9	-170.7	177.4	-64.1	-76.7	0.2	111.6	E521 V523 A528 T529	E521-R525 WeakPolarHBondContact O-CB 2.97Å; E521-R525 PolarHBondContact O-N 2.87Å; E521-R525 IonicContact OE1-CZ 3.45Å; E521-R525 IonicContact OE1-NE 3.92Å; E521-R525 IonicContact OE1-NH2 2.66Å; E521-R525 PolarHBondContact OE1-NH2 3.47Å; V523-R525 VanDerWaalsContact C-N 3.34Å; V523-R525 PolarHBondContact O-N 2.83Å; R525-A528 WeakPolarHBondContact O-CB 3.32Å; R525-A528 PolarHBondContact O-N 2.97Å; R525-T529 PolarHBondContact O-N 2.91Å; R525-T529 PolarHBondContact O-OG1 2.92Å
526	K	90.1	Very high	88	Confident	143 Å²	143	54.1 Å²	54.1	62%	0.622	27%	0.269	S	S	*	.	H	α-helix	trans	-60.6	-45.3	173.8	-179.8	-173.3	173.9	-165.3	0	111.7	A522 V523 I524 R530	A522-K526 VanDerWaalsContact O-CB 3.3Å; A522-K526 WeakPolarHBondContact O-CB 3.17Å; A522-K526 PolarHBondContact O-N 2.99Å; V523-K526 WeakPolarHBondContact O-CB 3.47Å; V523-K526 PolarHBondContact O-N 2.82Å; I524-K526 VanDerWaalsContact C-N 3.32Å; I524-K526 PolarHBondContact O-N 3.3Å; K526-R530 WeakPolarHBondContact O-CB 3.24Å; K526-R530 PolarHBondContact O-N 3.37Å
527	H	87.5	Confident	87.5	Confident	13 Å²	13	51.8 Å²	51.8	6%	0.06	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-41.3	175	-77.4	-71.6	0	0	0	112.6	E415 F475 V523 I524 R530 R531	E415-H527 IonicContact OE1-NE2 3.86Å; F475-H527 HydrophobicContact CZ-CB 4.13Å; V523-H527 PolarHBondContact O-CD2 2.71Å; V523-H527 PolarHBondContact O-N 3.22Å; I524-H527 PolarHBondContact O-N 2.86Å; H527-R530 PolarHBondContact ND1-NH2 3.44Å; H527-R530 PolarHBondContact O-N 3.12Å; H527-R531 PolarHBondContact O-N 2.9Å
528	A	87.9	Confident	86.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-49	177.6	0	0	0	0	0	111.6	E478 I479 V484 I524 R525 R530 R531 L532	E478-A528 HydrophobicContact CG-CB 3.77Å; I479-A528 HydrophobicContact CG1-CB 3.91Å; V484-A528 HydrophobicContact CB-CB 4.41Å; V484-A528 HydrophobicContact CG1-CB 4.39Å; V484-A528 HydrophobicContact CG2-CB 3.76Å; I524-A528 WeakPolarHBondContact O-CB 3.3Å; I524-A528 PolarHBondContact O-N 3Å; R525-A528 WeakPolarHBondContact O-CB 3.32Å; R525-A528 PolarHBondContact O-N 2.97Å; A528-R530 PolarHBondContact O-N 3.19Å; A528-R531 PolarHBondContact O-N 3.1Å; A528-L532 WeakPolarHBondContact O-CB 3.4Å; A528-L532 WeakPolarHBondContact O-CG 3.44Å; A528-L532 PolarHBondContact O-N 2.87Å
529	T	89	Confident	85.7	Confident	51 Å²	51	56.7 Å²	56.7	31%	0.313	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-42.1	177.8	-56.8	0	0	0	0	111.4	R525 R531 L532 C533	R525-T529 PolarHBondContact O-N 2.91Å; R525-T529 PolarHBondContact O-OG1 2.92Å; T529-R531 PolarHBondContact O-N 3.09Å; T529-L532 PolarHBondContact O-N 2.96Å; T529-C533 WeakPolarHBondContact O-CB 3.49Å; T529-C533 PolarHBondContact O-N 3.34Å; T529-C533 PolarHBondContact O-SG 3.27Å; T529-C533 VanDerWaalsContact O-SG 3.34Å
530	R	88.6	Confident	84.7	Confident	124 Å²	124	58.1 Å²	58.1	47%	0.468	27%	0.274	S	S	.	.	H	α-helix	trans	-57.4	-51	176.2	-176.7	-174.3	68	-178.4	0.5	111.5	K526 H527 A528 L532 C533 E534	K526-R530 WeakPolarHBondContact O-CB 3.24Å; K526-R530 PolarHBondContact O-N 3.37Å; H527-R530 PolarHBondContact ND1-NH2 3.44Å; H527-R530 PolarHBondContact O-N 3.12Å; A528-R530 PolarHBondContact O-N 3.19Å; R530-L532 PolarHBondContact O-N 3.42Å; R530-C533 PolarHBondContact O-N 3.18Å; R530-E534 WeakPolarHBondContact CG-OE1 3.25Å; R530-E534 IonicContact NE-OE1 3.13Å; R530-E534 WeakPolarHBondContact O-CG 3.49Å; R530-E534 PolarHBondContact O-N 2.97Å
531	R	86.4	Confident	83.6	Confident	45 Å²	45	61.1 Å²	61.1	17%	0.17	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-36.3	179.9	-76.2	177.2	172.8	170.3	-2.7	112.8	F475 E478 I479 H527 A528 T529 T535	F475-R531 VanDerWaalsContact O-CZ 3.25Å; F475-R531 PolarHBondContact O-NH1 3.4Å; F475-R531 PolarHBondContact O-NH2 3.43Å; E478-R531 VanDerWaalsContact CD-NH1 3.3Å; E478-R531 VanDerWaalsContact OE1-CD 3.25Å; E478-R531 WeakPolarHBondContact OE1-CD 3.31Å; E478-R531 IonicContact OE1-CZ 3.62Å; E478-R531 IonicContact OE1-NE 3.92Å; E478-R531 IonicContact OE1-NH1 2.92Å; E478-R531 PolarHBondContact OE1-NH1 2.92Å; E478-R531 IonicContact OE2-NH1 3.71Å; E478-R531 PolarHBondContact OE2-NH1 3.38Å; I479-R531 HydrophobicContact CD1-CB 4.15Å; H527-R531 PolarHBondContact O-N 2.9Å; A528-R531 PolarHBondContact O-N 3.1Å; T529-R531 PolarHBondContact O-N 3.09Å; R531-T535 WeakPolarHBondContact O-CB 3.15Å; R531-T535 PolarHBondContact O-N 3.35Å; R531-T535 PolarHBondContact O-OG1 3.16Å
532	L	84.2	Confident	82.3	Confident	19 Å²	19	63.8 Å²	63.8	10%	0.099	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-45.9	172.6	-83.4	174.9	0	0	0	112	I479 V484 D485 T491 A528 T529 R530 T535 R536	I479-L532 HydrophobicContact CD1-CD2 4.17Å; I479-L532 HydrophobicContact CD1-CG 3.92Å; I479-L532 HydrophobicContact CG1-CG 4.14Å; I479-L532 HydrophobicContact CG2-CD1 3.79Å; I479-L532 HydrophobicContact CG2-CD2 3.81Å; I479-L532 HydrophobicContact CG2-CG 3.84Å; V484-L532 HydrophobicContact CB-CD1 4.08Å; V484-L532 HydrophobicContact CG1-CD1 3.76Å; D485-L532 HydrophobicContact CB-CD1 4.28Å; T491-L532 HydrophobicContact CG2-CD2 4.15Å; A528-L532 WeakPolarHBondContact O-CB 3.4Å; A528-L532 WeakPolarHBondContact O-CG 3.44Å; A528-L532 PolarHBondContact O-N 2.87Å; T529-L532 PolarHBondContact O-N 2.96Å; R530-L532 PolarHBondContact O-N 3.42Å; L532-T535 PolarHBondContact O-N 3.12Å; L532-R536 WeakPolarHBondContact O-CG 3.38Å; L532-R536 PolarHBondContact O-N 3.07Å
533	C	85.9	Confident	80.9	Confident	19 Å²	19	68 Å²	68	13%	0.128	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-46.9	176.5	-72.7	0	0	0	0	111.7	T529 R530 T535 R536 V537	T529-C533 WeakPolarHBondContact O-CB 3.49Å; T529-C533 PolarHBondContact O-N 3.34Å; T529-C533 PolarHBondContact O-SG 3.27Å; T529-C533 VanDerWaalsContact O-SG 3.34Å; R530-C533 PolarHBondContact O-N 3.18Å; C533-T535 VanDerWaalsContact C-N 3.31Å; C533-T535 PolarHBondContact O-N 2.92Å; C533-R536 PolarHBondContact O-N 3.09Å; C533-V537 VanDerWaalsContact O-CG2 3.32Å; C533-V537 WeakPolarHBondContact O-CG2 3.36Å; C533-V537 PolarHBondContact O-N 3.2Å
534	E	84.5	Confident	79.5	Confident	86 Å²	86	72.7 Å²	72.7	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-58.8	-42.4	176.9	-73	169	-172.4	0	0	112	R530 R538	R530-E534 WeakPolarHBondContact CG-OE1 3.25Å; R530-E534 IonicContact NE-OE1 3.13Å; R530-E534 WeakPolarHBondContact O-CG 3.49Å; R530-E534 PolarHBondContact O-N 2.97Å; E534-R538 VanDerWaalsContact O-CG 3.29Å; E534-R538 WeakPolarHBondContact O-CG 3.45Å; E534-R538 PolarHBondContact O-N 3.2Å; E534-R538 VanDerWaalsContact O-N 3.12Å
535	T	79.8	Confident	77.7	Confident	43 Å²	43	75.6 Å²	75.6	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-66	-44.6	178.1	-54.6	0	0	0	0	111.4	R531 L532 C533 R538 Q539	R531-T535 WeakPolarHBondContact O-CB 3.15Å; R531-T535 PolarHBondContact O-N 3.35Å; R531-T535 PolarHBondContact O-OG1 3.16Å; L532-T535 PolarHBondContact O-N 3.12Å; C533-T535 VanDerWaalsContact C-N 3.31Å; C533-T535 PolarHBondContact O-N 2.92Å; T535-R538 PolarHBondContact O-N 3Å; T535-Q539 WeakPolarHBondContact O-CG 3.2Å; T535-Q539 PolarHBondContact O-N 3.22Å
536	R	80.5	Confident	75.6	Confident	108 Å²	108	81 Å²	81	41%	0.408	40%	0.399	S	S	.	.	H	α-helix	trans	-64.1	-42.1	177.9	-74.6	178.3	-177.3	166.4	2.2	112.5	L532 C533 R538 Q539 Q540	L532-R536 WeakPolarHBondContact O-CG 3.38Å; L532-R536 PolarHBondContact O-N 3.07Å; C533-R536 PolarHBondContact O-N 3.09Å; R536-R538 VanDerWaalsContact C-N 3.3Å; R536-R538 PolarHBondContact O-N 3.12Å; R536-Q539 PolarHBondContact O-N 2.94Å; R536-Q540 WeakPolarHBondContact O-CB 3.35Å; R536-Q540 WeakPolarHBondContact O-CG 3.46Å; R536-Q540 PolarHBondContact O-N 3.18Å
537	V	81	Confident	72.9	Confident	49 Å²	49	84 Å²	84	30%	0.297	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-41.4	176.1	168.5	0	0	0	0	110.7	C533 Q540 A541 S552	C533-V537 VanDerWaalsContact O-CG2 3.32Å; C533-V537 WeakPolarHBondContact O-CG2 3.36Å; C533-V537 PolarHBondContact O-N 3.2Å; V537-Q540 PolarHBondContact O-N 3.43Å; V537-A541 WeakPolarHBondContact O-CB 3.31Å; V537-A541 PolarHBondContact O-N 3.25Å; V537-S552 WeakPolarHBondContact CG1-OG 3.5Å
538	R	74	Confident	70.4	Confident	107 Å²	107	88.3 Å²	88.3	40%	0.404	44%	0.439	S	S	.	.	H	α-helix	trans	-67.9	-41.4	176.6	-70.5	172.6	-175.2	-173.1	-1.5	112.7	L467 E534 T535 R536 A541 H542	L467-R538 PolarHBondContact O-NH1 3.14Å; E534-R538 VanDerWaalsContact O-CG 3.29Å; E534-R538 WeakPolarHBondContact O-CG 3.45Å; E534-R538 PolarHBondContact O-N 3.2Å; E534-R538 VanDerWaalsContact O-N 3.12Å; T535-R538 PolarHBondContact O-N 3Å; R536-R538 VanDerWaalsContact C-N 3.3Å; R536-R538 PolarHBondContact O-N 3.12Å; R538-A541 PolarHBondContact O-N 3.41Å; R538-H542 PolarHBondContact O-CD2 3.19Å; R538-H542 PolarHBondContact O-N 3.24Å
539	Q	70.1	Confident	68.3	Low	93 Å²	93	94 Å²	94	44%	0.435	48%	0.476	S	S	.	.	H	α-helix	trans	-62.1	-43.7	174.2	-74.1	175	-11.8	0	0	111.5	T535 R536 H542 L543	T535-Q539 WeakPolarHBondContact O-CG 3.2Å; T535-Q539 PolarHBondContact O-N 3.22Å; R536-Q539 PolarHBondContact O-N 2.94Å; Q539-H542 PolarHBondContact O-N 2.91Å; Q539-L543 WeakPolarHBondContact O-CG 3.28Å; Q539-L543 PolarHBondContact O-N 2.92Å
540	Q	69.9	Low	65.9	Low	85 Å²	85	99.1 Å²	99.1	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-40.6	174	-75.6	-179.9	-13	0	0	111.5	R536 V537 H542 L543 H544	R536-Q540 WeakPolarHBondContact O-CB 3.35Å; R536-Q540 WeakPolarHBondContact O-CG 3.46Å; R536-Q540 PolarHBondContact O-N 3.18Å; V537-Q540 PolarHBondContact O-N 3.43Å; Q540-H542 VanDerWaalsContact C-N 3.31Å; Q540-H542 PolarHBondContact O-N 3.2Å; Q540-L543 PolarHBondContact O-N 2.98Å; Q540-H544 WeakPolarHBondContact O-CA 3.29Å; Q540-H544 WeakPolarHBondContact O-CB 3.49Å; Q540-H544 PolarHBondContact O-CD2 2.92Å; Q540-H544 PolarHBondContact O-N 2.9Å
541	A	67.6	Low	63.7	Low	62 Å²	62	99.9 Å²	99.9	51%	0.512	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-36.1	174.8	0	0	0	0	0	112.4	V537 R538 H544 G545	V537-A541 WeakPolarHBondContact O-CB 3.31Å; V537-A541 PolarHBondContact O-N 3.25Å; R538-A541 PolarHBondContact O-N 3.41Å; A541-H544 CarbonylContact O-C 3.4Å; A541-G545 WeakPolarHBondContact O-CA 3.48Å; A541-G545 PolarHBondContact O-N 2.88Å
542	H	62.4	Low	61.6	Low	117 Å²	117	100.2 Å²	100.2	54%	0.542	52%	0.521	S	S	.	.	H	α-helix	trans	-68	-46.3	172.1	-90.9	-78.6	0	0	0	112.3	E465 R538 Q539 Q540 H544 G545	E465-H542 IonicContact OE2-CE1 2.77Å; E465-H542 PolarHBondContact OE2-CE1 3.25Å; E465-H542 IonicContact OE2-NE2 3.02Å; R538-H542 PolarHBondContact O-CD2 3.19Å; R538-H542 PolarHBondContact O-N 3.24Å; Q539-H542 PolarHBondContact O-N 2.91Å; Q540-H542 VanDerWaalsContact C-N 3.31Å; Q540-H542 PolarHBondContact O-N 3.2Å; H542-H544 VanDerWaalsContact C-N 3.31Å; H542-H544 PolarHBondContact O-N 2.86Å; H542-G545 PolarHBondContact O-N 3.28Å; H542-G545 VanDerWaalsContact O-N 3.16Å
543	L	61.1	Low	59.3	Low	152 Å²	152	105.7 Å²	105.7	80%	0.796	55%	0.55	S	S	*	*	H	α-helix	trans	-63.3	-37.9	176.1	-70.7	168.8	0	0	0	111.9	Q539 Q540 G545	Q539-L543 WeakPolarHBondContact O-CG 3.28Å; Q539-L543 PolarHBondContact O-N 2.92Å; Q540-L543 PolarHBondContact O-N 2.98Å; L543-G545 VanDerWaalsContact C-N 3.32Å
544	H	60.7	Low	56.9	Low	119 Å²	119	111 Å²	111	55%	0.551	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	11.5	176.3	-71.3	-75.7	0	0	0	113.3	Q540 A541 H542 K546 R547	Q540-H544 WeakPolarHBondContact O-CA 3.29Å; Q540-H544 WeakPolarHBondContact O-CB 3.49Å; Q540-H544 PolarHBondContact O-CD2 2.92Å; Q540-H544 PolarHBondContact O-N 2.9Å; A541-H544 CarbonylContact O-C 3.4Å; H542-H544 VanDerWaalsContact C-N 3.31Å; H542-H544 PolarHBondContact O-N 2.86Å; H544-K546 PolarHBondContact O-N 3.24Å; H544-R547 PolarHBondContact O-N 3.25Å
545	G	49.9	Very low	54.7	Low	61 Å²	61	110 Å²	110	63%	0.629	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	14.5	176.6	0	0	0	0	0	115.3	A541 H542 L543	A541-G545 WeakPolarHBondContact O-CA 3.48Å; A541-G545 PolarHBondContact O-N 2.88Å; H542-G545 PolarHBondContact O-N 3.28Å; H542-G545 VanDerWaalsContact O-N 3.16Å; L543-G545 VanDerWaalsContact C-N 3.32Å
546	K	47.3	Very low	52.6	Low	205 Å²	205	110.5 Å²	110.5	89%	0.891	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.2	3.4	162.5	-73.1	-171.6	177.6	178.8	0	115.7	H544	H544-K546 PolarHBondContact O-N 3.24Å
547	R	31.8	Very low	50.3	Low	206 Å²	206	113.3 Å²	113.3	78%	0.777	59%	0.594	S	S	*	*	S	Bend	trans	-152.2	107	172.1	-74	-170.5	173.9	162.1	-3.5	113.9	H544	H544-R547 PolarHBondContact O-N 3.25Å
548	S	35.2	Very low	48.1	Very low	104 Å²	104	113.8 Å²	113.8	73%	0.727	60%	0.6	S	S	*	*			trans	35.2	141.5	151	54.3	0	0	0	0	123.5	I550	S548-I550 PolarHBondContact O-N 2.87Å
549	P	43.6	Very low	46.3	Very low	120 Å²	120	113.7 Å²	113.7	78%	0.779	60%	0.603	S	S	*	*	S	Bend	trans	-97.2	18.5	-157.8	2.8	20.4	0	0	0	118	L551	P549-L551 PolarHBondContact O-N 3.35Å
550	I	39	Very low	44.5	Very low	157 Å²	157	115.7 Å²	115.7	81%	0.805	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-13.5	-167.8	-60.8	168.4	0	0	0	114	S548	S548-I550 PolarHBondContact O-N 2.87Å
551	L	41.9	Very low	42.8	Very low	140 Å²	140	116.6 Å²	116.6	73%	0.733	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-5.4	-174.4	-129.2	85.8	0	0	0	115.9	P549 N553 L555	P549-L551 PolarHBondContact O-N 3.35Å; L551-N553 PolarHBondContact O-N 2.89Å; L551-L555 HydrophobicContact CD2-CD1 4.31Å
552	S	43.7	Very low	41.1	Very low	52 Å²	52	117.2 Å²	117.2	36%	0.364	63%	0.631	S	S	.	*	H	α-helix	trans	-75.5	-26.3	-165.2	-166.9	0	0	0	0	115.8	V537	V537-S552 WeakPolarHBondContact CG1-OG 3.5Å
553	N	34.7	Very low	39.4	Very low	134 Å²	134	115.4 Å²	115.4	72%	0.717	65%	0.645	S	S	*	*	H	α-helix	trans	-86.3	-23.7	-170	-86	-4.8	0	0	0	115.1	L551	L551-N553 PolarHBondContact O-N 2.89Å
554	N	35.8	Very low	37.7	Very low	132 Å²	132	111.7 Å²	111.7	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-85.2	-25.1	-174.4	-71	-16.8	0	0	0	113.4	S558	N554-S558 PolarHBondContact O-N 3.23Å
555	L	38.1	Very low	35.9	Very low	64 Å²	64	114.4 Å²	114.4	34%	0.335	65%	0.648	S	S	.	*	H	α-helix	trans	-75.8	-31.8	-179	-91.5	131.1	0	0	0	113.9	L551 K557 S558 F559	L551-L555 HydrophobicContact CD2-CD1 4.31Å; L555-K557 PolarHBondContact O-N 3.07Å; L555-S558 PolarHBondContact O-N 3.31Å; L555-S558 PolarHBondContact O-OG 3.42Å; L555-F559 HydrophobicContact CD2-CE2 4.36Å; L555-F559 PolarHBondContact O-N 3.02Å
556	C	36.3	Very low	34.7	Very low	54 Å²	54	120.3 Å²	120.3	37%	0.365	66%	0.659	S	S	.	*	H	α-helix	trans	-68.9	-26.8	179.5	-149.5	0	0	0	0	111.9	I560	C556-I560 WeakPolarHBondContact O-CD1 3.15Å; C556-I560 WeakPolarHBondContact O-CG1 3.04Å
557	K	33.4	Very low	33.4	Very low	166 Å²	166	117.6 Å²	117.6	72%	0.722	66%	0.655	S	S	*	*	H	α-helix	trans	-79.9	-35	176.6	-73.4	-177.9	178.4	178.6	0	113.2	L555	L555-K557 PolarHBondContact O-N 3.07Å
558	S	33.2	Very low	32.9	Very low	59 Å²	59	114.4 Å²	114.4	41%	0.413	66%	0.658	S	S	.	*	H	α-helix	trans	-70.2	-35.1	-179.2	67.7	0	0	0	0	112.4	N554 L555 S561 S562	N554-S558 PolarHBondContact O-N 3.23Å; L555-S558 PolarHBondContact O-N 3.31Å; L555-S558 PolarHBondContact O-OG 3.42Å; S558-S561 WeakPolarHBondContact O-CB 3.22Å; S558-S561 PolarHBondContact O-N 3.49Å; S558-S562 PolarHBondContact O-OG 3.36Å
559	F	35.8	Very low	32.2	Very low	106 Å²	106	115.3 Å²	115.3	47%	0.465	67%	0.665	S	S	.	*	H	α-helix	trans	-77.2	-27.2	-177.7	-93.9	-81.4	0	0	0	115	L555 S561 S562	L555-F559 HydrophobicContact CD2-CE2 4.36Å; L555-F559 PolarHBondContact O-N 3.02Å; F559-S561 PolarHBondContact O-N 2.98Å; F559-S561 VanDerWaalsContact O-N 3.09Å; F559-S562 PolarHBondContact O-N 3.03Å; F559-S562 VanDerWaalsContact O-N 3.07Å
560	I	34.3	Very low	31.2	Very low	134 Å²	134	116 Å²	116	69%	0.687	67%	0.666	S	S	*	*	H	α-helix	trans	-58.3	-23.7	171.1	-65.1	168.8	0	0	0	110.4	C556	C556-I560 WeakPolarHBondContact O-CD1 3.15Å; C556-I560 WeakPolarHBondContact O-CG1 3.04Å
561	S	33.4	Very low	30.2	Very low	105 Å²	105	118.4 Å²	118.4	73%	0.734	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-14.3	177.8	-171.6	0	0	0	0	115.3	S558 F559	S558-S561 WeakPolarHBondContact O-CB 3.22Å; S558-S561 PolarHBondContact O-N 3.49Å; F559-S561 PolarHBondContact O-N 2.98Å; F559-S561 VanDerWaalsContact O-N 3.09Å
562	S	31.9	Very low	29.2	Very low	74 Å²	74	118.1 Å²	118.1	52%	0.517	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.6	7.5	-163.9	-49.7	0	0	0	0	115.2	S558 F559 A564	S558-S562 PolarHBondContact O-OG 3.36Å; F559-S562 PolarHBondContact O-N 3.03Å; F559-S562 VanDerWaalsContact O-N 3.07Å; S562-A564 PolarHBondContact O-N 2.99Å
563	G	26.4	Very low	28	Very low	80 Å²	80	124.8 Å²	124.8	83%	0.825	70%	0.695	S	S	*	*			trans	-70.3	12.1	-179.2	0	0	0	0	0	116.4
564	A	25.4	Very low	27.4	Very low	73 Å²	73	124.9 Å²	124.9	60%	0.603	70%	0.7	S	S	*	*	S	Bend	trans	-103.8	115.7	171.2	0	0	0	0	0	108.4	S562	S562-A564 PolarHBondContact O-N 2.99Å
565	H	22.2	Very low	26.8	Very low	176 Å²	176	124 Å²	124	82%	0.815	70%	0.701	S	S	*	*			trans	103.9	125.2	165.8	-60.4	-82	0	0	0	118.8
566	E	24.9	Very low	26	Very low	185 Å²	185	126.8 Å²	126.8	86%	0.864	72%	0.724	S	S	*	*			trans	112.5	110	142.4	-82.5	175.7	177.1	0	0	120.5
567	N	20.3	Very low	25.3	Very low	149 Å²	149	129.8 Å²	129.8	80%	0.797	75%	0.745	S	S	*	*			trans	-65	131	167.7	-64.2	-41	0	0	0	110.8
568	T	22.3	Very low	24.8	Very low	139 Å²	139	125.9 Å²	125.9	85%	0.853	75%	0.752	S	S	*	*			trans	-144.8	120.4	151.1	23.2	0	0	0	0	111.2
569	S	20.7	Very low	24.2	Very low	123 Å²	123	130.2 Å²	130.2	86%	0.86	77%	0.769	S	S	*	*			trans	-76.2	128.4	-177.4	-24.3	0	0	0	0	110.5
570	V	21.8	Very low	23.6	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	79%	0.786	S	S	*	*			trans	-116.2	122.2	170.8	179.2	0	0	0	0	109.8
571	K	17.8	Very low	22.9	Very low	207 Å²	207	137.3 Å²	137.3	90%	0.9	79%	0.794	S	S	*	*			trans	-69.8	140.7	175.1	-91	175.4	169.2	178.7	0	111.1
572	L	20.3	Very low	22.2	Very low	135 Å²	135	139.7 Å²	139.7	71%	0.707	80%	0.799	S	S	*	*			trans	-112	127.9	176.1	-92.6	138.5	0	0	0	109.5
573	E	19	Very low	21.7	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	82%	0.817	S	S	*	*			trans	-101.8	142.3	169.6	-77.5	-178.8	163.5	0	0	110.7
574	V	21.6	Very low	21.5	Very low	137 Å²	137	143.7 Å²	143.7	83%	0.83	81%	0.814	S	S	*	*			trans	-105.4	131.2	-171.2	176.6	0	0	0	0	109.5
575	P	23.3	Very low	21.3	Very low	113 Å²	113	148.6 Å²	148.6	73%	0.734	83%	0.826	S	S	*	*			trans	-92.8	159.3	171.8	34.4	-29.7	0	0	0	112.7
576	P	22.6	Very low	21.3	Very low	123 Å²	123	147.8 Å²	147.8	80%	0.799	83%	0.827	S	S	*	*			trans	-96.7	157.5	-162.8	16	3	0	0	0	115.1
577	S	21.5	Very low	21.2	Very low	117 Å²	117	147.2 Å²	147.2	82%	0.818	83%	0.83	S	S	*	*			trans	-42.8	134.3	172.9	45.4	0	0	0	0	117.6
578	G	23	Very low	21.5	Very low	83 Å²	83	146.8 Å²	146.8	86%	0.856	83%	0.832	S	S	*	*			trans	-117.6	129.4	163.1	0	0	0	0	0	111.6
579	I	20.8	Very low	21.7	Very low	151 Å²	151	147.3 Å²	147.3	77%	0.774	83%	0.83	S	S	*	*			trans	-95.4	143.9	-179.4	-68	160.2	0	0	0	109.2
580	I	21.8	Very low	22	Very low	162 Å²	162	149.4 Å²	149.4	83%	0.831	83%	0.826	S	S	*	*			trans	-173.3	103.4	148.5	-89.8	142.3	0	0	0	106.8
581	R	19.7	Very low	22.3	Very low	226 Å²	226	149.9 Å²	149.9	85%	0.853	82%	0.824	S	S	*	*				73.3	104.9	95.2	-86.8	-170.9	179.7	172.5	0.7	116.5
582	N	19.6	Very low	22.8	Very low	156 Å²	156	145.2 Å²	145.2	83%	0.834	81%	0.809	S	S	*	*			trans	16.1	127.9	138.3	-63.2	-2.7	0	0	0	119.6
583	S	21.3	Very low	23.3	Very low	129 Å²	129	143.7 Å²	143.7	90%	0.902	80%	0.801	S	S	*	*			trans	-149.1	113	130.3	-106.5	0	0	0	0	111.1
584	S	20.7	Very low	23.8	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	80%	0.796	S	S	*	*			trans	-77.3	130.6	163.1	50.8	0	0	0	0	110.4
585	M	21.8	Very low	24.2	Very low	175 Å²	175	138.8 Å²	138.8	86%	0.862	78%	0.776	S	S	*	*			trans	166	120.1	138.1	-105.9	-154.5	174.1	0	0	110.4
586	L	22.3	Very low	24.6	Very low	159 Å²	159	139.1 Å²	139.1	83%	0.832	77%	0.767	S	S	*	*				168.4	118	115.2	-93.4	150.4	0	0	0	110.9
587	L	22.2	Very low	24.9	Very low	174 Å²	174	140.2 Å²	140.2	91%	0.911	76%	0.762	S	S	*	*			trans	-71.3	135.7	168.2	-71	142.5	0	0	0	109.6
588	T	27.3	Very low	25.5	Very low	140 Å²	140	139 Å²	139	86%	0.859	75%	0.749	S	S	*	*			trans	-134.4	133.3	165.5	53.6	0	0	0	0	111.4
589	N	26.6	Very low	25.9	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	74%	0.736	S	S	*	*			trans	-54.9	148.7	-167	-94.6	-30.8	0	0	0	117.5	N591	N589-N591 VanDerWaalsContact C-N 3.32Å; N589-N591 PolarHBondContact O-N 3.29Å
590	E	28.2	Very low	26.4	Very low	167 Å²	167	137.2 Å²	137.2	78%	0.78	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-72.7	-0.9	-178.2	-78.8	-179	138.5	0	0	116.5	D592	E590-D592 PolarHBondContact O-N 3.44Å
591	N	27.8	Very low	26.9	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-80.3	-11	-175.6	-73.1	-10.4	0	0	0	114.8	N589	N589-N591 VanDerWaalsContact C-N 3.32Å; N589-N591 PolarHBondContact O-N 3.29Å
592	D	27.3	Very low	27.7	Very low	110 Å²	110	124.8 Å²	124.8	59%	0.588	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-86.4	-9.2	177.6	-80.2	-27.1	0	0	0	114.2	E590 S595 Q596	E590-D592 PolarHBondContact O-N 3.44Å; D592-S595 PolarHBondContact O-OG 3.13Å; D592-Q596 WeakPolarHBondContact O-CG 3.32Å; D592-Q596 PolarHBondContact O-N 2.97Å
593	L	31.7	Very low	28.3	Very low	103 Å²	103	119 Å²	119	54%	0.539	66%	0.663	S	S	.	*	H	α-helix	trans	-71.4	-31	-177.7	-97	123.2	0	0	0	113.6	Q597	L593-Q597 PolarHBondContact O-N 3.12Å
594	Q	29.3	Very low	28.9	Very low	166 Å²	166	118 Å²	118	78%	0.776	65%	0.647	S	S	*	*	H	α-helix	trans	-80.1	-29.1	-179.6	-97.1	170.8	-12.4	0	0	113.6	T598	Q594-T598 PolarHBondContact O-OG1 3.5Å
595	S	30.4	Very low	29.6	Very low	59 Å²	59	117 Å²	117	41%	0.413	63%	0.632	S	S	.	*	H	α-helix	trans	-77.4	-32.3	176.6	65.9	0	0	0	0	112.3	D592 T598 T599	D592-S595 PolarHBondContact O-OG 3.13Å; S595-T598 PolarHBondContact O-OG1 2.83Å; S595-T598 VanDerWaalsContact O-OG1 3.1Å; S595-T599 PolarHBondContact O-N 3.36Å; S595-T599 PolarHBondContact O-OG1 3.48Å
596	Q	29.9	Very low	30.5	Very low	120 Å²	120	113.1 Å²	113.1	56%	0.561	62%	0.618	S	S	*	*	H	α-helix	trans	-75.3	-36.6	178.8	-71.9	-171.7	2.3	0	0	113.3	D592 T598 T599 I600	D592-Q596 WeakPolarHBondContact O-CG 3.32Å; D592-Q596 PolarHBondContact O-N 2.97Å; Q596-T598 PolarHBondContact O-N 3.42Å; Q596-T599 PolarHBondContact O-N 2.85Å; Q596-I600 WeakPolarHBondContact O-CD1 3.25Å; Q596-I600 VanDerWaalsContact O-CG1 3.27Å; Q596-I600 WeakPolarHBondContact O-CG1 3.37Å; Q596-I600 PolarHBondContact O-N 3.32Å; Q596-I600 VanDerWaalsContact O-N 3.14Å
597	Q	31	Very low	31.2	Very low	145 Å²	145	112 Å²	112	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-66.2	-35.1	179	-101.3	176	-16.2	0	0	113.3	L593 S601	L593-Q597 PolarHBondContact O-N 3.12Å; Q597-S601 PolarHBondContact O-N 2.79Å
598	T	32.5	Very low	31.9	Very low	91 Å²	91	110.7 Å²	110.7	56%	0.558	59%	0.592	S	S	*	*	H	α-helix	trans	-75.9	-33.7	178.5	46.8	0	0	0	0	112.6	Q594 S595 Q596 S601 S602	Q594-T598 PolarHBondContact O-OG1 3.5Å; S595-T598 PolarHBondContact O-OG1 2.83Å; S595-T598 VanDerWaalsContact O-OG1 3.1Å; Q596-T598 PolarHBondContact O-N 3.42Å; T598-S601 PolarHBondContact O-OG 3.47Å; T598-S602 PolarHBondContact O-OG 3.41Å
599	T	32.4	Very low	32.3	Very low	94 Å²	94	108 Å²	108	58%	0.577	57%	0.568	S	S	*	*	H	α-helix	trans	-74.5	-35.8	178.7	-50.3	0	0	0	0	112.3	S595 Q596 S602 G603	S595-T599 PolarHBondContact O-N 3.36Å; S595-T599 PolarHBondContact O-OG1 3.48Å; Q596-T599 PolarHBondContact O-N 2.85Å; T599-S602 PolarHBondContact O-OG 3.45Å; T599-G603 PolarHBondContact O-N 2.91Å
600	I	31.5	Very low	33.1	Very low	104 Å²	104	104.9 Å²	104.9	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-74.2	-36.7	-178	-65.4	168	0	0	0	111.8	Q596 I604	Q596-I600 WeakPolarHBondContact O-CD1 3.25Å; Q596-I600 VanDerWaalsContact O-CG1 3.27Å; Q596-I600 WeakPolarHBondContact O-CG1 3.37Å; Q596-I600 PolarHBondContact O-N 3.32Å; Q596-I600 VanDerWaalsContact O-N 3.14Å; I600-I604 HydrophobicContact CG2-CD1 3.93Å; I600-I604 WeakPolarHBondContact O-CG1 3.22Å; I600-I604 PolarHBondContact O-N 3.12Å
601	S	31.7	Very low	33.7	Very low	64 Å²	64	105.1 Å²	105.1	45%	0.448	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-40.7	179.3	75.6	0	0	0	0	111.9	Q597 T598 I605	Q597-S601 PolarHBondContact O-N 2.79Å; T598-S601 PolarHBondContact O-OG 3.47Å; S601-I605 WeakPolarHBondContact O-CD1 3.26Å; S601-I605 VanDerWaalsContact O-CG1 3.27Å; S601-I605 WeakPolarHBondContact O-CG1 3.46Å; S601-I605 PolarHBondContact O-N 2.84Å
602	S	36	Very low	34.2	Very low	63 Å²	63	102.8 Å²	102.8	44%	0.441	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-43.6	178.8	56.5	0	0	0	0	112.3	T598 T599 I604 I605 T606	T598-S602 PolarHBondContact O-OG 3.41Å; T599-S602 PolarHBondContact O-OG 3.45Å; S602-I604 PolarHBondContact O-N 3.2Å; S602-I605 PolarHBondContact O-N 3.42Å; S602-T606 PolarHBondContact O-N 3.4Å; S602-T606 PolarHBondContact O-OG1 3.42Å
603	G	32	Very low	34.8	Very low	33 Å²	33	101.1 Å²	101.1	34%	0.34	53%	0.532	S	S	.	.	H	α-helix	trans	-59.5	-45.7	179.9	0	0	0	0	0	113.9	T599 T606 Q607	T599-G603 PolarHBondContact O-N 2.91Å; G603-T606 WeakPolarHBondContact CA-OG1 3.29Å; G603-T606 PolarHBondContact O-N 3.29Å; G603-T606 PolarHBondContact O-OG1 3.38Å; G603-Q607 WeakPolarHBondContact O-CB 3.45Å; G603-Q607 PolarHBondContact O-N 2.96Å
604	I	34.7	Very low	35.1	Very low	108 Å²	108	101.7 Å²	101.7	55%	0.554	55%	0.545	S	S	*	.	H	α-helix	trans	-65.5	-40.5	180	-65.4	170.8	0	0	0	110.9	I600 S602 Q607 W608	I600-I604 HydrophobicContact CG2-CD1 3.93Å; I600-I604 WeakPolarHBondContact O-CG1 3.22Å; I600-I604 PolarHBondContact O-N 3.12Å; S602-I604 PolarHBondContact O-N 3.2Å; I604-Q607 PolarHBondContact O-N 2.83Å; I604-W608 VanDerWaalsContact O-CB 3.3Å; I604-W608 WeakPolarHBondContact O-CB 3.43Å; I604-W608 PolarHBondContact O-N 3.33Å
605	I	35.9	Very low	35.6	Very low	90 Å²	90	97 Å²	97	46%	0.462	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-44.2	178.7	-66.1	167.5	0	0	0	110.4	S601 S602 Q607 W608 K609	S601-I605 WeakPolarHBondContact O-CD1 3.26Å; S601-I605 VanDerWaalsContact O-CG1 3.27Å; S601-I605 WeakPolarHBondContact O-CG1 3.46Å; S601-I605 PolarHBondContact O-N 2.84Å; S602-I605 PolarHBondContact O-N 3.42Å; I605-Q607 PolarHBondContact O-N 2.71Å; I605-W608 PolarHBondContact O-N 3.01Å; I605-K609 HydrophobicContact CG2-CD 4.23Å; I605-K609 WeakPolarHBondContact O-CB 3.41Å; I605-K609 WeakPolarHBondContact O-CG 3.26Å; I605-K609 PolarHBondContact O-N 2.89Å
606	T	40.2	Very low	35.9	Very low	92 Å²	92	103.1 Å²	103.1	56%	0.564	56%	0.555	S	S	*	*	H	α-helix	trans	-63.2	-40.8	175.9	33.3	0	0	0	0	113.2	S602 G603 K609 S610	S602-T606 PolarHBondContact O-N 3.4Å; S602-T606 PolarHBondContact O-OG1 3.42Å; G603-T606 WeakPolarHBondContact CA-OG1 3.29Å; G603-T606 PolarHBondContact O-N 3.29Å; G603-T606 PolarHBondContact O-OG1 3.38Å; T606-K609 PolarHBondContact O-N 3.05Å; T606-S610 PolarHBondContact O-N 3.01Å
607	Q	35.9	Very low	36.7	Very low	137 Å²	137	104 Å²	104	64%	0.64	56%	0.563	S	S	*	*	H	α-helix	trans	-72.2	-31.9	-178.9	-158.8	174.6	20.2	0	0	112.1	G603 I604 I605 K611	G603-Q607 WeakPolarHBondContact O-CB 3.45Å; G603-Q607 PolarHBondContact O-N 2.96Å; I604-Q607 PolarHBondContact O-N 2.83Å; I605-Q607 PolarHBondContact O-N 2.71Å; Q607-K611 PolarHBondContact O-N 3.29Å
608	W	37	Very low	37.2	Very low	145 Å²	145	103.5 Å²	103.5	55%	0.549	57%	0.565	S	S	.	*	H	α-helix	trans	-71.3	-38.9	173.4	-171.5	87	0	0	0	112.3	I604 I605 S610 K611 N612 F613	I604-W608 VanDerWaalsContact O-CB 3.3Å; I604-W608 WeakPolarHBondContact O-CB 3.43Å; I604-W608 PolarHBondContact O-N 3.33Å; I605-W608 PolarHBondContact O-N 3.01Å; W608-S610 PolarHBondContact O-N 3.24Å; W608-K611 PolarHBondContact O-N 3.08Å; W608-N612 PolarHBondContact NE1-ND2 3.3Å; W608-N612 PolarHBondContact O-N 3.4Å; W608-F613 HydrophobicContact CH2-CE2 4.09Å; W608-F613 HydrophobicContact CZ3-CE2 4.04Å
609	K	37.3	Very low	37.7	Very low	83 Å²	83	101.5 Å²	101.5	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-59	-43.2	175.2	-79.6	178.3	177.9	-175.5	0	112.4	I605 T606 F613 D627	I605-K609 HydrophobicContact CG2-CD 4.23Å; I605-K609 WeakPolarHBondContact O-CB 3.41Å; I605-K609 WeakPolarHBondContact O-CG 3.26Å; I605-K609 PolarHBondContact O-N 2.89Å; T606-K609 PolarHBondContact O-N 3.05Å; K609-F613 PolarHBondContact O-N 3.33Å; K609-D627 WeakPolarHBondContact CE-OD2 3.46Å; K609-D627 IonicContact NZ-OD2 3.79Å; K609-D627 PolarHBondContact NZ-OD2 2.98Å
610	S	42.8	Very low	38.5	Very low	85 Å²	85	99.5 Å²	99.5	59%	0.594	54%	0.543	S	S	*	.	H	α-helix	trans	-70.8	-33.7	-178.6	98.7	0	0	0	0	113.3	T606 W608	T606-S610 PolarHBondContact O-N 3.01Å; W608-S610 PolarHBondContact O-N 3.24Å
611	K	40.9	Very low	39.3	Very low	172 Å²	172	100.8 Å²	100.8	75%	0.748	55%	0.546	S	S	*	.	H	α-helix	trans	-75.1	-34.8	-178.4	-101.7	-176.5	174.4	179.3	0	114	Q607 W608	Q607-K611 PolarHBondContact O-N 3.29Å; W608-K611 PolarHBondContact O-N 3.08Å
612	N	38.1	Very low	40.2	Very low	95 Å²	95	102.8 Å²	102.8	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-104.9	-13.8	-167.2	-73.4	-21	0	0	0	115.4	W608	W608-N612 PolarHBondContact NE1-ND2 3.3Å; W608-N612 PolarHBondContact O-N 3.4Å
613	F	39.4	Very low	41.2	Very low	75 Å²	75	101.9 Å²	101.9	33%	0.329	54%	0.543	S	S	.	.			trans	-124.1	17.9	-170.5	-81.5	-82.4	0	0	0	115.7	W608 K609 G615 V623	W608-F613 HydrophobicContact CH2-CE2 4.09Å; W608-F613 HydrophobicContact CZ3-CE2 4.04Å; K609-F613 PolarHBondContact O-N 3.33Å; F613-G615 PolarHBondContact O-N 3.44Å; F613-V623 HydrophobicContact CE1-CG2 4.28Å; F613-V623 HydrophobicContact CZ-CG2 4.12Å
614	S	39.2	Very low	42.5	Very low	115 Å²	115	106.1 Å²	106.1	80%	0.804	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	24.6	-176.5	70.5	0	0	0	0	116.8
615	G	39.5	Very low	43.6	Very low	67 Å²	67	104.6 Å²	104.6	69%	0.691	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.4	9.2	-174.5	0	0	0	0	0	120.2	F613	F613-G615 PolarHBondContact O-N 3.44Å
616	R	36.2	Very low	44.7	Very low	188 Å²	188	105.2 Å²	105.2	71%	0.709	55%	0.554	S	S	*	*			trans	-144.2	96.6	175.4	-80.2	-171.9	-171.8	-173.1	1.8	112.4	D618 T619 S620	R616-D618 PolarHBondContact O-N 3.29Å; R616-T619 HydrophobicContact CB-CG2 4.21Å; R616-T619 VanDerWaalsContact CB-OG1 3.27Å; R616-T619 WeakPolarHBondContact CB-OG1 3.41Å; R616-T619 PolarHBondContact O-N 2.87Å; R616-T619 PolarHBondContact O-OG1 3.44Å; R616-S620 PolarHBondContact O-N 3.1Å
617	N	46.5	Very low	45.9	Very low	138 Å²	138	103.8 Å²	103.8	74%	0.738	54%	0.543	S	S	*	.	H	α-helix	trans	-53.6	-32.8	-179.9	-71.3	-6.1	0	0	0	114.1	S620 Q621	N617-S620 PolarHBondContact O-OG 2.96Å; N617-Q621 PolarHBondContact O-N 3.28Å
618	D	41.4	Very low	47.5	Very low	134 Å²	134	103.3 Å²	103.3	72%	0.717	54%	0.54	S	S	*	.	H	α-helix	trans	-73.7	-28.7	179.4	-62.6	-16.3	0	0	0	112.7	R616	R616-D618 PolarHBondContact O-N 3.29Å
619	T	43.8	Very low	48.9	Very low	50 Å²	50	102.4 Å²	102.4	31%	0.307	54%	0.54	S	S	.	.	H	α-helix	trans	-81.7	-31.9	178.7	57.4	0	0	0	0	112.4	R616 L622 V623	R616-T619 HydrophobicContact CB-CG2 4.21Å; R616-T619 VanDerWaalsContact CB-OG1 3.27Å; R616-T619 WeakPolarHBondContact CB-OG1 3.41Å; R616-T619 PolarHBondContact O-N 2.87Å; R616-T619 PolarHBondContact O-OG1 3.44Å; T619-L622 PolarHBondContact O-N 3.23Å; T619-V623 VanDerWaalsContact O-CG2 3.31Å; T619-V623 WeakPolarHBondContact O-CG2 3.34Å; T619-V623 PolarHBondContact O-N 2.87Å
620	S	48.5	Very low	50.2	Low	51 Å²	51	100.7 Å²	100.7	36%	0.357	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-40.9	176.5	54.1	0	0	0	0	111.5	R616 N617 L622 V623 E624	R616-S620 PolarHBondContact O-N 3.1Å; N617-S620 PolarHBondContact O-OG 2.96Å; S620-L622 VanDerWaalsContact C-N 3.34Å; S620-L622 PolarHBondContact O-N 2.96Å; S620-V623 PolarHBondContact O-N 3.47Å; S620-E624 WeakPolarHBondContact O-CB 3.41Å; S620-E624 PolarHBondContact O-N 2.67Å
621	Q	49.2	Very low	51.5	Low	131 Å²	131	101.8 Å²	101.8	61%	0.612	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-39	179	-157.3	172.5	15.8	0	0	111.8	N617 E624 T625	N617-Q621 PolarHBondContact O-N 3.28Å; Q621-E624 PolarHBondContact O-N 2.87Å; Q621-T625 WeakPolarHBondContact O-CG2 3.45Å; Q621-T625 PolarHBondContact O-N 3.05Å; Q621-T625 PolarHBondContact O-OG1 2.92Å
622	L	49.2	Very low	52.7	Low	107 Å²	107	102.5 Å²	102.5	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-41.8	176.5	-137.1	162	0	0	0	111.6	T619 S620 T625 L626	T619-L622 PolarHBondContact O-N 3.23Å; S620-L622 VanDerWaalsContact C-N 3.34Å; S620-L622 PolarHBondContact O-N 2.96Å; L622-T625 WeakPolarHBondContact CA-OG1 3.28Å; L622-T625 PolarHBondContact O-N 3.33Å; L622-T625 PolarHBondContact O-OG1 3.2Å; L622-L626 HydrophobicContact CD2-CD1 3.94Å; L622-L626 HydrophobicContact CD2-CG 4.32Å; L622-L626 WeakPolarHBondContact O-CG 3.13Å; L622-L626 PolarHBondContact O-N 3.4Å
623	V	57.4	Low	54.1	Low	44 Å²	44	104 Å²	104	27%	0.267	54%	0.538	S	S	.	.	H	α-helix	trans	-62.9	-41.9	173.6	172.2	0	0	0	0	111.1	F613 T619 S620 T625 L626 D627	F613-V623 HydrophobicContact CE1-CG2 4.28Å; F613-V623 HydrophobicContact CZ-CG2 4.12Å; T619-V623 VanDerWaalsContact O-CG2 3.31Å; T619-V623 WeakPolarHBondContact O-CG2 3.34Å; T619-V623 PolarHBondContact O-N 2.87Å; S620-V623 PolarHBondContact O-N 3.47Å; V623-T625 PolarHBondContact O-N 3.13Å; V623-L626 PolarHBondContact O-N 3.13Å; V623-D627 PolarHBondContact O-N 2.83Å
624	E	59.6	Low	55.4	Low	122 Å²	122	106.5 Å²	106.5	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-62.6	-41.6	177	-131.8	169	-161	0	0	112.1	S620 Q621 L626 D627 Q628	S620-E624 WeakPolarHBondContact O-CB 3.41Å; S620-E624 PolarHBondContact O-N 2.67Å; Q621-E624 PolarHBondContact O-N 2.87Å; E624-L626 VanDerWaalsContact C-N 3.34Å; E624-L626 PolarHBondContact O-N 3.26Å; E624-D627 PolarHBondContact O-N 2.7Å; E624-Q628 WeakPolarHBondContact O-CG 3.29Å; E624-Q628 PolarHBondContact O-N 2.9Å
625	T	58.2	Low	56.9	Low	75 Å²	75	104.9 Å²	104.9	46%	0.46	54%	0.536	S	S	.	.	H	α-helix	trans	-66.2	-34.8	175.2	53.9	0	0	0	0	113	Q621 L622 V623 F629	Q621-T625 WeakPolarHBondContact O-CG2 3.45Å; Q621-T625 PolarHBondContact O-N 3.05Å; Q621-T625 PolarHBondContact O-OG1 2.92Å; L622-T625 WeakPolarHBondContact CA-OG1 3.28Å; L622-T625 PolarHBondContact O-N 3.33Å; L622-T625 PolarHBondContact O-OG1 3.2Å; V623-T625 PolarHBondContact O-N 3.13Å; T625-F629 WeakPolarHBondContact O-CB 3.25Å; T625-F629 PolarHBondContact O-N 2.85Å
626	L	58.8	Low	58.4	Low	104 Å²	104	105.4 Å²	105.4	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-71.2	-39.7	175.9	-75.9	168.6	0	0	0	111.8	L622 V623 E624 F629 A630	L622-L626 HydrophobicContact CD2-CD1 3.94Å; L622-L626 HydrophobicContact CD2-CG 4.32Å; L622-L626 WeakPolarHBondContact O-CG 3.13Å; L622-L626 PolarHBondContact O-N 3.4Å; V623-L626 PolarHBondContact O-N 3.13Å; E624-L626 VanDerWaalsContact C-N 3.34Å; E624-L626 PolarHBondContact O-N 3.26Å; L626-F629 PolarHBondContact O-N 3.43Å; L626-A630 WeakPolarHBondContact O-CB 3.25Å; L626-A630 PolarHBondContact O-N 2.84Å
627	D	65.6	Low	59.9	Low	62 Å²	62	100.9 Å²	100.9	33%	0.332	51%	0.512	S	S	.	.	H	α-helix	trans	-64.3	-45.1	174	-85.3	-0.8	0	0	0	111	K609 V623 E624 F629 A630 D631	K609-D627 WeakPolarHBondContact CE-OD2 3.46Å; K609-D627 IonicContact NZ-OD2 3.79Å; K609-D627 PolarHBondContact NZ-OD2 2.98Å; V623-D627 PolarHBondContact O-N 2.83Å; E624-D627 PolarHBondContact O-N 2.7Å; D627-F629 VanDerWaalsContact C-N 3.26Å; D627-F629 PolarHBondContact O-N 2.93Å; D627-A630 PolarHBondContact O-N 3.42Å; D627-A630 VanDerWaalsContact O-N 3.11Å; D627-D631 PolarHBondContact O-N 3.27Å
628	Q	69.6	Low	61.2	Low	127 Å²	127	100.8 Å²	100.8	59%	0.593	51%	0.508	S	S	*	.	H	α-helix	trans	-60.3	-36.1	174.9	-75.9	-179.6	2.9	0	0	112.6	E624 R632	E624-Q628 WeakPolarHBondContact O-CG 3.29Å; E624-Q628 PolarHBondContact O-N 2.9Å; Q628-R632 WeakPolarHBondContact O-CB 3.48Å; Q628-R632 WeakPolarHBondContact O-CG 3.28Å; Q628-R632 PolarHBondContact O-N 2.95Å; Q628-R632 VanDerWaalsContact O-N 3.16Å
629	F	66.6	Low	62.8	Low	125 Å²	125	99.2 Å²	99.2	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-41.7	174.5	-178.8	-97.1	0	0	0	111.6	T625 L626 D627 R632 W633	T625-F629 WeakPolarHBondContact O-CB 3.25Å; T625-F629 PolarHBondContact O-N 2.85Å; L626-F629 PolarHBondContact O-N 3.43Å; D627-F629 VanDerWaalsContact C-N 3.26Å; D627-F629 PolarHBondContact O-N 2.93Å; F629-R632 PolarHBondContact O-N 2.88Å; F629-W633 AromaticContact CD1-CD1 3.67Å; F629-W633 AromaticContact CE1-CD1 3.28Å; F629-W633 HydrophobicContact CE1-CG 4.45Å; F629-W633 AromaticContact CE1-NE1 3.37Å; F629-W633 AromaticContact CE2-CD1 3.76Å; F629-W633 AromaticContact CE2-NE1 3.44Å; F629-W633 AromaticContact CZ-CD1 3.36Å; F629-W633 AromaticContact CZ-NE1 2.96Å; F629-W633 PolarHBondContact O-N 3.29Å
630	A	63.6	Low	63.9	Low	48 Å²	48	100.7 Å²	100.7	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-47.1	177	0	0	0	0	0	112.3	L626 D627 R632 W633 E634	L626-A630 WeakPolarHBondContact O-CB 3.25Å; L626-A630 PolarHBondContact O-N 2.84Å; D627-A630 PolarHBondContact O-N 3.42Å; D627-A630 VanDerWaalsContact O-N 3.11Å; A630-R632 VanDerWaalsContact C-N 3.33Å; A630-R632 PolarHBondContact O-N 3.19Å; A630-W633 WeakPolarHBondContact O-CB 3.35Å; A630-W633 PolarHBondContact O-N 2.91Å; A630-W633 VanDerWaalsContact O-N 3.09Å; A630-E634 PolarHBondContact O-N 3.38Å
631	D	69.9	Low	65.2	Low	107 Å²	107	102.6 Å²	102.6	57%	0.572	52%	0.515	S	S	*	.	H	α-helix	trans	-60.4	-41.3	176.9	-88.8	3.1	0	0	0	111.9	D627 W633 E634 T635	D627-D631 PolarHBondContact O-N 3.27Å; D631-W633 VanDerWaalsContact C-N 3.34Å; D631-W633 PolarHBondContact O-N 3.41Å; D631-E634 PolarHBondContact O-N 3.07Å; D631-T635 WeakPolarHBondContact O-CB 3.3Å; D631-T635 PolarHBondContact O-N 2.81Å; D631-T635 PolarHBondContact O-OG1 3.4Å
632	R	66.9	Low	66.4	Low	187 Å²	187	102.4 Å²	102.4	71%	0.706	51%	0.512	S	S	*	.	H	α-helix	trans	-61.9	-42.5	173.8	-83.4	-177.8	162	-160.5	-3.8	111.6	Q628 F629 A630 T635 I636	Q628-R632 WeakPolarHBondContact O-CB 3.48Å; Q628-R632 WeakPolarHBondContact O-CG 3.28Å; Q628-R632 PolarHBondContact O-N 2.95Å; Q628-R632 VanDerWaalsContact O-N 3.16Å; F629-R632 PolarHBondContact O-N 2.88Å; A630-R632 VanDerWaalsContact C-N 3.33Å; A630-R632 PolarHBondContact O-N 3.19Å; R632-T635 PolarHBondContact O-N 3.44Å; R632-I636 WeakPolarHBondContact O-CD1 3.44Å; R632-I636 VanDerWaalsContact O-CG1 3.24Å; R632-I636 WeakPolarHBondContact O-CG1 3.42Å; R632-I636 PolarHBondContact O-N 3.39Å
633	W	66.3	Low	67.6	Low	127 Å²	127	100 Å²	100	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-40.9	177.4	-96.2	103.3	0	0	0	113.1	F629 A630 D631 T635 I636 L637	F629-W633 AromaticContact CD1-CD1 3.67Å; F629-W633 AromaticContact CE1-CD1 3.28Å; F629-W633 HydrophobicContact CE1-CG 4.45Å; F629-W633 AromaticContact CE1-NE1 3.37Å; F629-W633 AromaticContact CE2-CD1 3.76Å; F629-W633 AromaticContact CE2-NE1 3.44Å; F629-W633 AromaticContact CZ-CD1 3.36Å; F629-W633 AromaticContact CZ-NE1 2.96Å; F629-W633 PolarHBondContact O-N 3.29Å; A630-W633 WeakPolarHBondContact O-CB 3.35Å; A630-W633 PolarHBondContact O-N 2.91Å; A630-W633 VanDerWaalsContact O-N 3.09Å; D631-W633 VanDerWaalsContact C-N 3.34Å; D631-W633 PolarHBondContact O-N 3.41Å; W633-T635 VanDerWaalsContact C-N 3.32Å; W633-T635 PolarHBondContact O-N 2.96Å; W633-I636 PolarHBondContact O-N 2.99Å; W633-L637 HydrophobicContact CE3-CG 4.49Å; W633-L637 WeakPolarHBondContact O-CB 3.31Å; W633-L637 WeakPolarHBondContact O-CG 3.48Å; W633-L637 PolarHBondContact O-N 3.02Å
634	E	67.1	Low	68.2	Low	128 Å²	128	104.7 Å²	104.7	60%	0.598	52%	0.518	S	S	*	.	H	α-helix	trans	-60.9	-42.7	172.6	-85.5	-159.7	164.4	0	0	111.3	A630 D631 I636 L637 M638	A630-E634 PolarHBondContact O-N 3.38Å; D631-E634 PolarHBondContact O-N 3.07Å; E634-I636 PolarHBondContact O-N 3.13Å; E634-L637 PolarHBondContact O-N 3.25Å; E634-M638 VanDerWaalsContact O-CB 3.31Å; E634-M638 WeakPolarHBondContact O-CB 3.37Å; E634-M638 VanDerWaalsContact O-CG 3.26Å; E634-M638 WeakPolarHBondContact O-CG 3.27Å; E634-M638 PolarHBondContact O-N 3.38Å
635	T	71.6	Confident	69	Low	80 Å²	80	108.4 Å²	108.4	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-43	177.2	-52.5	0	0	0	0	111.4	D631 R632 W633 M638 N639	D631-T635 WeakPolarHBondContact O-CB 3.3Å; D631-T635 PolarHBondContact O-N 2.81Å; D631-T635 PolarHBondContact O-OG1 3.4Å; R632-T635 PolarHBondContact O-N 3.44Å; W633-T635 VanDerWaalsContact C-N 3.32Å; W633-T635 PolarHBondContact O-N 2.96Å; T635-M638 PolarHBondContact O-N 2.92Å; T635-N639 WeakPolarHBondContact O-CB 3.45Å; T635-N639 VanDerWaalsContact O-CG 3.27Å; T635-N639 PolarHBondContact O-N 3.09Å; T635-N639 PolarHBondContact O-ND2 3.36Å
636	I	70.3	Confident	69.8	Low	79 Å²	79	110.3 Å²	110.3	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-46.4	176.7	-70.1	163.8	0	0	0	110.7	R632 W633 E634 N639 L640	R632-I636 WeakPolarHBondContact O-CD1 3.44Å; R632-I636 VanDerWaalsContact O-CG1 3.24Å; R632-I636 WeakPolarHBondContact O-CG1 3.42Å; R632-I636 PolarHBondContact O-N 3.39Å; W633-I636 PolarHBondContact O-N 2.99Å; E634-I636 PolarHBondContact O-N 3.13Å; I636-N639 PolarHBondContact O-N 3.39Å; I636-L640 HydrophobicContact CG2-CD1 3.83Å; I636-L640 WeakPolarHBondContact O-CB 3.49Å; I636-L640 WeakPolarHBondContact O-CG 3.22Å; I636-L640 PolarHBondContact O-N 3.21Å
637	L	67.8	Low	70.4	Confident	93 Å²	93	110.4 Å²	110.4	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-42.4	177.9	-81.2	163.9	0	0	0	112	W633 E634 L640 T641	W633-L637 HydrophobicContact CE3-CG 4.49Å; W633-L637 WeakPolarHBondContact O-CB 3.31Å; W633-L637 WeakPolarHBondContact O-CG 3.48Å; W633-L637 PolarHBondContact O-N 3.02Å; E634-L637 PolarHBondContact O-N 3.25Å; L637-L640 PolarHBondContact O-N 3.39Å; L637-T641 VanDerWaalsContact O-CB 3.29Å; L637-T641 WeakPolarHBondContact O-CB 3.46Å; L637-T641 PolarHBondContact O-N 2.85Å; L637-T641 PolarHBondContact O-OG1 3.15Å
638	M	74.6	Confident	70.8	Confident	135 Å²	135	112.7 Å²	112.7	67%	0.665	54%	0.54	S	S	*	.	H	α-helix	trans	-61.2	-44.7	175	-78.7	-92.7	-177.8	0	0	111.3	E634 T635 T641 K642	E634-M638 VanDerWaalsContact O-CB 3.31Å; E634-M638 WeakPolarHBondContact O-CB 3.37Å; E634-M638 VanDerWaalsContact O-CG 3.26Å; E634-M638 WeakPolarHBondContact O-CG 3.27Å; E634-M638 PolarHBondContact O-N 3.38Å; T635-M638 PolarHBondContact O-N 2.92Å; M638-T641 PolarHBondContact O-N 2.88Å; M638-K642 VanDerWaalsContact O-CB 3.28Å; M638-K642 WeakPolarHBondContact O-CB 3.44Å; M638-K642 PolarHBondContact O-N 3.1Å
639	N	74.6	Confident	71	Confident	102 Å²	102	108.2 Å²	108.2	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-66.2	-43.8	177.8	-75.3	-17.9	0	0	0	112.2	T635 I636 K642 S643	T635-N639 WeakPolarHBondContact O-CB 3.45Å; T635-N639 VanDerWaalsContact O-CG 3.27Å; T635-N639 PolarHBondContact O-N 3.09Å; T635-N639 PolarHBondContact O-ND2 3.36Å; I636-N639 PolarHBondContact O-N 3.39Å; N639-K642 PolarHBondContact O-N 2.96Å; N639-S643 WeakPolarHBondContact O-CB 3.45Å; N639-S643 PolarHBondContact O-N 3.36Å
640	L	67.6	Low	71.4	Confident	81 Å²	81	106.1 Å²	106.1	42%	0.424	53%	0.525	S	S	.	.	H	α-helix	trans	-60.7	-47	174	-81.8	164.2	0	0	0	111	I636 L637 K642 S643 Y644	I636-L640 HydrophobicContact CG2-CD1 3.83Å; I636-L640 WeakPolarHBondContact O-CB 3.49Å; I636-L640 WeakPolarHBondContact O-CG 3.22Å; I636-L640 PolarHBondContact O-N 3.21Å; L637-L640 PolarHBondContact O-N 3.39Å; L640-K642 VanDerWaalsContact C-N 3.31Å; L640-K642 PolarHBondContact O-N 3.47Å; L640-S643 WeakPolarHBondContact O-CB 3.21Å; L640-S643 PolarHBondContact O-N 3.46Å; L640-Y644 HydrophobicContact CD2-CE2 4.21Å; L640-Y644 WeakPolarHBondContact O-CD2 2.99Å; L640-Y644 PolarHBondContact O-N 2.88Å
641	T	74.5	Confident	71.9	Confident	91 Å²	91	108.4 Å²	108.4	56%	0.558	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-39.9	179.4	-51.8	0	0	0	0	111	L637 M638 R645	L637-T641 VanDerWaalsContact O-CB 3.29Å; L637-T641 WeakPolarHBondContact O-CB 3.46Å; L637-T641 PolarHBondContact O-N 2.85Å; L637-T641 PolarHBondContact O-OG1 3.15Å; M638-T641 PolarHBondContact O-N 2.88Å; T641-R645 VanDerWaalsContact O-CB 3.25Å; T641-R645 WeakPolarHBondContact O-CB 3.17Å; T641-R645 PolarHBondContact O-N 3.44Å
642	K	75.1	Confident	72.3	Confident	126 Å²	126	111.1 Å²	111.1	55%	0.548	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-46.2	174.6	-171.7	-179.7	175.9	-172.6	0	111.4	M638 N639 L640 R645 E646	M638-K642 VanDerWaalsContact O-CB 3.28Å; M638-K642 WeakPolarHBondContact O-CB 3.44Å; M638-K642 PolarHBondContact O-N 3.1Å; N639-K642 PolarHBondContact O-N 2.96Å; L640-K642 VanDerWaalsContact C-N 3.31Å; L640-K642 PolarHBondContact O-N 3.47Å; K642-R645 WeakPolarHBondContact O-CB 3.42Å; K642-R645 PolarHBondContact O-N 3.39Å; K642-E646 WeakPolarHBondContact CE-OE1 3.38Å; K642-E646 WeakPolarHBondContact O-CG 3.24Å; K642-E646 PolarHBondContact O-N 3.3Å
643	S	73.3	Confident	72.7	Confident	58 Å²	58	108.3 Å²	108.3	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-58.6	-49.4	176.6	-167.4	0	0	0	0	111.6	N639 L640 R645 E646 E647	N639-S643 WeakPolarHBondContact O-CB 3.45Å; N639-S643 PolarHBondContact O-N 3.36Å; L640-S643 WeakPolarHBondContact O-CB 3.21Å; L640-S643 PolarHBondContact O-N 3.46Å; S643-R645 VanDerWaalsContact C-N 3.32Å; S643-R645 PolarHBondContact O-N 3.03Å; S643-E646 PolarHBondContact O-N 2.89Å; S643-E647 PolarHBondContact O-N 3.33Å
644	Y	70.1	Confident	73.2	Confident	141 Å²	141	107.5 Å²	107.5	55%	0.553	53%	0.528	S	S	*	.	H	α-helix	trans	-63.9	-36.2	176.5	-79.9	-62.5	0	0	0	112.4	L640 E647 I648	L640-Y644 HydrophobicContact CD2-CE2 4.21Å; L640-Y644 WeakPolarHBondContact O-CD2 2.99Å; L640-Y644 PolarHBondContact O-N 2.88Å; Y644-E647 PolarHBondContact O-N 3.28Å; Y644-I648 WeakPolarHBondContact O-CB 3.37Å; Y644-I648 WeakPolarHBondContact O-CG1 2.75Å; Y644-I648 PolarHBondContact O-N 3.44Å
645	R	76.4	Confident	73.5	Confident	201 Å²	201	106.9 Å²	106.9	76%	0.758	53%	0.528	S	S	*	.	H	α-helix	trans	-66.2	-39	176.2	-165.9	-177.7	-144.6	-163	5.6	111.8	T641 K642 S643 G649	T641-R645 VanDerWaalsContact O-CB 3.25Å; T641-R645 WeakPolarHBondContact O-CB 3.17Å; T641-R645 PolarHBondContact O-N 3.44Å; K642-R645 WeakPolarHBondContact O-CB 3.42Å; K642-R645 PolarHBondContact O-N 3.39Å; S643-R645 VanDerWaalsContact C-N 3.32Å; S643-R645 PolarHBondContact O-N 3.03Å; R645-G649 PolarHBondContact O-N 3.37Å
646	E	76.2	Confident	73.6	Confident	114 Å²	114	107.3 Å²	107.3	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-66.2	-45.4	174.2	-73.9	173.1	-172.3	0	0	110.9	K642 S643 I648 G649 V650	K642-E646 WeakPolarHBondContact CE-OE1 3.38Å; K642-E646 WeakPolarHBondContact O-CG 3.24Å; K642-E646 PolarHBondContact O-N 3.3Å; S643-E646 PolarHBondContact O-N 2.89Å; E646-I648 PolarHBondContact O-N 2.82Å; E646-G649 CarbonylContact O-C 3.58Å; E646-G649 WeakPolarHBondContact O-CA 3.5Å; E646-G649 PolarHBondContact O-N 3.45Å; E646-G649 VanDerWaalsContact O-N 3.1Å; E646-V650 WeakPolarHBondContact O-CG2 3.41Å; E646-V650 PolarHBondContact O-N 2.85Å
647	E	71.2	Confident	73.6	Confident	107 Å²	107	109.8 Å²	109.8	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-60.2	-44.6	174.5	-77.1	-177.3	174.1	0	0	112.7	S643 Y644 G649 V650 L651	S643-E647 PolarHBondContact O-N 3.33Å; Y644-E647 PolarHBondContact O-N 3.28Å; E647-G649 VanDerWaalsContact C-N 3.28Å; E647-G649 PolarHBondContact O-N 2.87Å; E647-V650 PolarHBondContact O-N 3.1Å; E647-L651 WeakPolarHBondContact O-CB 3.45Å; E647-L651 PolarHBondContact O-N 2.97Å
648	I	73.6	Confident	73.5	Confident	110 Å²	110	112 Å²	112	56%	0.564	54%	0.543	S	S	*	.	H	α-helix	trans	-63.7	-36.9	174.6	-70.2	168.2	0	0	0	110.5	Y644 E646 R652	Y644-I648 WeakPolarHBondContact O-CB 3.37Å; Y644-I648 WeakPolarHBondContact O-CG1 2.75Å; Y644-I648 PolarHBondContact O-N 3.44Å; E646-I648 PolarHBondContact O-N 2.82Å; I648-R652 VanDerWaalsContact O-CB 3.28Å; I648-R652 WeakPolarHBondContact O-CB 3.48Å; I648-R652 PolarHBondContact O-N 3.06Å
649	G	73.2	Confident	72.8	Confident	33 Å²	33	108.9 Å²	108.9	34%	0.34	53%	0.534	S	S	.	.	H	α-helix	trans	-60.5	-47.4	173.6	0	0	0	0	0	112.2	R645 E646 E647 R652 E653	R645-G649 PolarHBondContact O-N 3.37Å; E646-G649 CarbonylContact O-C 3.58Å; E646-G649 WeakPolarHBondContact O-CA 3.5Å; E646-G649 PolarHBondContact O-N 3.45Å; E646-G649 VanDerWaalsContact O-N 3.1Å; E647-G649 VanDerWaalsContact C-N 3.28Å; E647-G649 PolarHBondContact O-N 2.87Å; G649-R652 WeakPolarHBondContact O-CB 3.37Å; G649-R652 PolarHBondContact O-N 3.39Å; G649-E653 PolarHBondContact O-N 2.65Å
650	V	76.4	Confident	72.3	Confident	80 Å²	80	107.3 Å²	107.3	49%	0.485	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-46	176.4	173.4	0	0	0	0	111.1	E646 E647 R652 E653 Q654	E646-V650 WeakPolarHBondContact O-CG2 3.41Å; E646-V650 PolarHBondContact O-N 2.85Å; E647-V650 PolarHBondContact O-N 3.1Å; V650-R652 VanDerWaalsContact C-N 3.29Å; V650-R652 PolarHBondContact O-N 3.4Å; V650-E653 PolarHBondContact O-N 2.98Å; V650-Q654 HydrophobicContact CG1-CG 4.46Å; V650-Q654 WeakPolarHBondContact O-CG 3.29Å; V650-Q654 PolarHBondContact O-N 3.15Å
651	L	73.1	Confident	71.8	Confident	96 Å²	96	107.3 Å²	107.3	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-59	-41.2	174.9	-83.3	164.1	0	0	0	111.8	E647 Q654 I655	E647-L651 WeakPolarHBondContact O-CB 3.45Å; E647-L651 PolarHBondContact O-N 2.97Å; L651-Q654 PolarHBondContact O-N 3.22Å; L651-I655 WeakPolarHBondContact O-CB 3.41Å; L651-I655 WeakPolarHBondContact O-CD1 3.47Å; L651-I655 VanDerWaalsContact O-CG1 3.22Å; L651-I655 WeakPolarHBondContact O-CG1 3.49Å; L651-I655 PolarHBondContact O-N 3.39Å
652	R	77.7	Confident	70.5	Confident	165 Å²	165	108.5 Å²	108.5	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-44	175.6	-178.3	-179.5	-180	-89.7	-1.1	111.5	I648 G649 V650 I655 L656	I648-R652 VanDerWaalsContact O-CB 3.28Å; I648-R652 WeakPolarHBondContact O-CB 3.48Å; I648-R652 PolarHBondContact O-N 3.06Å; G649-R652 WeakPolarHBondContact O-CB 3.37Å; G649-R652 PolarHBondContact O-N 3.39Å; V650-R652 VanDerWaalsContact C-N 3.29Å; V650-R652 PolarHBondContact O-N 3.4Å; R652-I655 PolarHBondContact O-N 2.94Å; R652-L656 HydrophobicContact CG-CD1 4.12Å; R652-L656 WeakPolarHBondContact O-CB 3.26Å; R652-L656 VanDerWaalsContact O-CG 3.27Å; R652-L656 WeakPolarHBondContact O-CG 3.28Å; R652-L656 PolarHBondContact O-N 3.13Å
653	E	76.8	Confident	69	Low	128 Å²	128	108.2 Å²	108.2	60%	0.598	55%	0.547	S	S	*	.	H	α-helix	trans	-65	-40.7	176.2	-75.5	-166.2	172.4	0	0	112.3	G649 V650 L656 Q657	G649-E653 PolarHBondContact O-N 2.65Å; V650-E653 PolarHBondContact O-N 2.98Å; E653-L656 PolarHBondContact O-N 2.48Å; E653-Q657 WeakPolarHBondContact O-CB 3.44Å; E653-Q657 WeakPolarHBondContact O-CG 3.23Å; E653-Q657 PolarHBondContact O-N 3.4Å
654	Q	76.4	Confident	67.5	Low	109 Å²	109	112.7 Å²	112.7	51%	0.509	58%	0.578	S	S	.	*	H	α-helix	trans	-62.5	-43	175.1	-73.5	178.1	-9.2	0	0	112	V650 L651 L656 Q657 F658	V650-Q654 HydrophobicContact CG1-CG 4.46Å; V650-Q654 WeakPolarHBondContact O-CG 3.29Å; V650-Q654 PolarHBondContact O-N 3.15Å; L651-Q654 PolarHBondContact O-N 3.22Å; Q654-L656 VanDerWaalsContact C-N 3.35Å; Q654-Q657 PolarHBondContact O-N 2.77Å; Q654-F658 WeakPolarHBondContact O-CB 3.32Å; Q654-F658 PolarHBondContact O-N 2.97Å
655	I	72.9	Confident	67.4	Low	116 Å²	116	111.3 Å²	111.3	60%	0.595	58%	0.579	S	S	*	*	H	α-helix	trans	-63.8	-41.6	175.7	-69.6	165.5	0	0	0	110.7	L651 R652 F658 S659	L651-I655 WeakPolarHBondContact O-CB 3.41Å; L651-I655 WeakPolarHBondContact O-CD1 3.47Å; L651-I655 VanDerWaalsContact O-CG1 3.22Å; L651-I655 WeakPolarHBondContact O-CG1 3.49Å; L651-I655 PolarHBondContact O-N 3.39Å; R652-I655 PolarHBondContact O-N 2.94Å; I655-F658 PolarHBondContact O-N 2.71Å; I655-S659 VanDerWaalsContact O-CB 3.26Å; I655-S659 WeakPolarHBondContact O-CB 3.45Å; I655-S659 PolarHBondContact O-N 3.43Å
656	L	74.1	Confident	66.9	Low	88 Å²	88	106.5 Å²	106.5	46%	0.461	57%	0.569	S	S	.	*	H	α-helix	trans	-66	-40.6	176.6	-73.8	169.4	0	0	0	112	R652 E653 Q654 S659 S660	R652-L656 HydrophobicContact CG-CD1 4.12Å; R652-L656 WeakPolarHBondContact O-CB 3.26Å; R652-L656 VanDerWaalsContact O-CG 3.27Å; R652-L656 WeakPolarHBondContact O-CG 3.28Å; R652-L656 PolarHBondContact O-N 3.13Å; E653-L656 PolarHBondContact O-N 2.48Å; Q654-L656 VanDerWaalsContact C-N 3.35Å; L656-S659 PolarHBondContact O-N 2.89Å; L656-S660 WeakPolarHBondContact O-CB 3.34Å; L656-S660 PolarHBondContact O-N 3.28Å; L656-S660 PolarHBondContact O-OG 3.27Å
657	Q	69.7	Low	66.4	Low	131 Å²	131	106.1 Å²	106.1	61%	0.612	57%	0.571	S	S	*	*	H	α-helix	trans	-62.2	-48.2	173.5	-80.9	-175.9	-15.1	0	0	111.2	E653 Q654 S659 S660 T661	E653-Q657 WeakPolarHBondContact O-CB 3.44Å; E653-Q657 WeakPolarHBondContact O-CG 3.23Å; E653-Q657 PolarHBondContact O-N 3.4Å; Q654-Q657 PolarHBondContact O-N 2.77Å; Q657-S659 VanDerWaalsContact C-N 3.31Å; Q657-S659 PolarHBondContact O-N 3.45Å; Q657-S660 PolarHBondContact O-N 3.06Å; Q657-S660 PolarHBondContact O-OG 3.24Å; Q657-T661 PolarHBondContact O-N 3.46Å; Q657-T661 PolarHBondContact O-OG1 3.03Å
658	F	65.3	Low	66.1	Low	140 Å²	140	106.1 Å²	106.1	61%	0.614	58%	0.575	S	S	*	*	H	α-helix	trans	-62.3	-38.4	178.4	-164.6	-96	0	0	0	112.5	Q654 I655 S660 T661 N662	Q654-F658 WeakPolarHBondContact O-CB 3.32Å; Q654-F658 PolarHBondContact O-N 2.97Å; I655-F658 PolarHBondContact O-N 2.71Å; F658-S660 VanDerWaalsContact C-N 3.34Å; F658-T661 WeakPolarHBondContact CA-OG1 3.46Å; F658-T661 PolarHBondContact O-OG1 3.32Å; F658-T661 VanDerWaalsContact O-OG1 3.06Å; F658-N662 VanDerWaalsContact CE1-ND2 3.34Å; F658-N662 WeakPolarHBondContact CE1-ND2 3.21Å; F658-N662 PolarHBondContact O-N 3.44Å
659	S	61	Low	65.6	Low	70 Å²	70	105.8 Å²	105.8	49%	0.49	58%	0.576	S	S	.	*	H	α-helix	trans	-62	-40.1	172.2	170.1	0	0	0	0	112	I655 L656 Q657 T663	I655-S659 VanDerWaalsContact O-CB 3.26Å; I655-S659 WeakPolarHBondContact O-CB 3.45Å; I655-S659 PolarHBondContact O-N 3.43Å; L656-S659 PolarHBondContact O-N 2.89Å; Q657-S659 VanDerWaalsContact C-N 3.31Å; Q657-S659 PolarHBondContact O-N 3.45Å; S659-T663 PolarHBondContact O-OG1 3.25Å
660	S	62.8	Low	65.1	Low	68 Å²	68	110.7 Å²	110.7	48%	0.476	59%	0.592	S	S	.	*	H	α-helix	trans	-73.9	-34.1	-178.8	69.4	0	0	0	0	112.9	L656 Q657 F658 T663	L656-S660 WeakPolarHBondContact O-CB 3.34Å; L656-S660 PolarHBondContact O-N 3.28Å; L656-S660 PolarHBondContact O-OG 3.27Å; Q657-S660 PolarHBondContact O-N 3.06Å; Q657-S660 PolarHBondContact O-OG 3.24Å; F658-S660 VanDerWaalsContact C-N 3.34Å; S660-T663 PolarHBondContact O-N 3.17Å; S660-T663 PolarHBondContact O-OG1 3Å
661	T	57.4	Low	64.3	Low	81 Å²	81	112.9 Å²	112.9	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-75.8	-24.3	178.9	48.1	0	0	0	0	113.9	Q657 F658 T663 S664	Q657-T661 PolarHBondContact O-N 3.46Å; Q657-T661 PolarHBondContact O-OG1 3.03Å; F658-T661 WeakPolarHBondContact CA-OG1 3.46Å; F658-T661 PolarHBondContact O-OG1 3.32Å; F658-T661 VanDerWaalsContact O-OG1 3.06Å; T661-T663 VanDerWaalsContact C-N 3.32Å; T661-S664 PolarHBondContact O-OG 2.84Å
662	N	47	Very low	63.7	Low	117 Å²	117	114.2 Å²	114.2	63%	0.626	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-4.3	175	-87.1	-16	0	0	0	113.7	F658	F658-N662 VanDerWaalsContact CE1-ND2 3.34Å; F658-N662 WeakPolarHBondContact CE1-ND2 3.21Å; F658-N662 PolarHBondContact O-N 3.44Å
663	T	45.3	Very low	62.5	Low	120 Å²	120	109.9 Å²	109.9	74%	0.736	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-2	175.8	45.8	0	0	0	0	114.1	S659 S660 T661	S659-T663 PolarHBondContact O-OG1 3.25Å; S660-T663 PolarHBondContact O-N 3.17Å; S660-T663 PolarHBondContact O-OG1 3Å; T661-T663 VanDerWaalsContact C-N 3.32Å
664	S	41.2	Very low	61.2	Low	151 Å²	151	108.3 Å²	108.3	100%	1.056	61%	0.606	S	S	*	*			trans	-107.1	0	169.3	60.8	0	0	0	0	110.2	T661	T661-S664 PolarHBondContact O-OG 2.84Å

Retrieved 664 of 664 residues in 251.5 ms (Link to these results)

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