A0A077Z3P6_TRITR Loading...

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AlphaFold DB , UniProt , Accession A0A077Z3P6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 688 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	30.1	Very low	29.7	Very low	246 Å²	246	139.6 Å²	139.6	100%	1.212	70%	0.699	S	S	*	*				0	123	0	-89.2	-177.4	-180	0	0	108.6
2	T	27	Very low	30.1	Very low	135 Å²	135	132.7 Å²	132.7	83%	0.828	66%	0.664	S	S	*	*			trans	-50.5	138	-174.4	-28.9	0	0	0	0	113.1	K4	T2-K4 PolarHBondContact O-N 2.81Å
3	Y	26.1	Very low	30.4	Very low	236 Å²	236	124.7 Å²	124.7	93%	0.925	63%	0.627	S	S	*	*			trans	-40.6	95.2	171.8	-95.2	-100.4	0	0	0	111.6	K5	Y3-K5 PolarHBondContact O-N 3.29Å; Y3-K5 VanDerWaalsContact O-N 3.16Å
4	K	28.9	Very low	30.4	Very low	190 Å²	190	126.9 Å²	126.9	83%	0.826	62%	0.624	S	S	*	*			trans	-78.4	99.8	168.9	-83.7	-177.7	178.3	174.1	0	107.3	T2 C6	T2-K4 PolarHBondContact O-N 2.81Å; K4-C6 PolarHBondContact O-N 3.14Å
5	K	27	Very low	30.6	Very low	193 Å²	193	131.5 Å²	131.5	84%	0.839	63%	0.631	S	S	*	*			trans	-35.4	131.6	168.2	-75.6	178.7	172	-178.5	0	111.2	Y3 R7	Y3-K5 PolarHBondContact O-N 3.29Å; Y3-K5 VanDerWaalsContact O-N 3.16Å; K5-R7 PolarHBondContact O-N 3.21Å
6	C	28.8	Very low	30.8	Very low	118 Å²	118	126.6 Å²	126.6	80%	0.797	61%	0.61	S	S	*	*			trans	-47.2	104.8	176	-90.7	0	0	0	0	111.7	K4 L8	K4-C6 PolarHBondContact O-N 3.14Å; C6-L8 PolarHBondContact O-N 2.94Å; C6-L8 VanDerWaalsContact O-N 3.09Å
7	R	28.7	Very low	30.8	Very low	179 Å²	179	126.6 Å²	126.6	68%	0.675	61%	0.607	S	S	*	*	H	α-helix	trans	-75.4	17.5	174.8	-72.1	-174	179.5	-179.3	-1.3	113.7	K5 D10 A11	K5-R7 PolarHBondContact O-N 3.21Å; R7-D10 HydrophobicContact CB-CB 4.39Å; R7-A11 WeakPolarHBondContact O-CB 3.13Å; R7-A11 PolarHBondContact O-N 2.95Å
8	L	36.1	Very low	30.9	Very low	59 Å²	59	123.6 Å²	123.6	31%	0.309	60%	0.597	S	S	.	*	H	α-helix	trans	-80.7	-43.4	176.3	-164.8	73.6	0	0	0	111.3	C6 D10 A11 I12	C6-L8 PolarHBondContact O-N 2.94Å; C6-L8 VanDerWaalsContact O-N 3.09Å; L8-D10 PolarHBondContact O-N 3.12Å; L8-A11 PolarHBondContact O-N 3.47Å; L8-I12 HydrophobicContact CG-CD1 4.4Å; L8-I12 PolarHBondContact O-N 2.89Å
9	A	32.5	Very low	31	Very low	55 Å²	55	120.1 Å²	120.1	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-55	-44	167.7	0	0	0	0	0	109.5	A11 V13	A9-A11 PolarHBondContact O-N 2.74Å; A9-V13 WeakPolarHBondContact O-CA 3.17Å; A9-V13 WeakPolarHBondContact O-CB 3.49Å; A9-V13 WeakPolarHBondContact O-CG2 3.28Å; A9-V13 PolarHBondContact O-N 2.98Å
10	D	29.6	Very low	31.2	Very low	74 Å²	74	118.2 Å²	118.2	40%	0.396	57%	0.574	S	S	.	*	H	α-helix	trans	-64.5	-30.9	174.6	-94.1	-13.6	0	0	0	114.4	R7 L8 R14	R7-D10 HydrophobicContact CB-CB 4.39Å; L8-D10 PolarHBondContact O-N 3.12Å; D10-R14 WeakPolarHBondContact O-CA 3.31Å; D10-R14 WeakPolarHBondContact O-CB 3.36Å; D10-R14 WeakPolarHBondContact O-CD 3.29Å; D10-R14 WeakPolarHBondContact O-CG 3.12Å; D10-R14 PolarHBondContact O-N 3.26Å
11	A	32.3	Very low	31.2	Very low	51 Å²	51	119.7 Å²	119.7	42%	0.421	58%	0.58	S	S	.	*	H	α-helix	trans	-78.4	-40.3	-179.7	0	0	0	0	0	111.9	R7 L8 A9 R14 R15	R7-A11 WeakPolarHBondContact O-CB 3.13Å; R7-A11 PolarHBondContact O-N 2.95Å; L8-A11 PolarHBondContact O-N 3.47Å; A9-A11 PolarHBondContact O-N 2.74Å; A11-R14 PolarHBondContact O-N 3.33Å; A11-R15 WeakPolarHBondContact O-CB 3.2Å; A11-R15 PolarHBondContact O-N 3.13Å
12	I	33.7	Very low	31.2	Very low	56 Å²	56	113 Å²	113	29%	0.287	55%	0.546	S	S	.	.	H	α-helix	trans	-67.8	-44.1	172.7	-63.8	172.6	0	0	0	109.3	L8 R14 R15 N16	L8-I12 HydrophobicContact CG-CD1 4.4Å; L8-I12 PolarHBondContact O-N 2.89Å; I12-R14 PolarHBondContact O-N 2.85Å; I12-R15 PolarHBondContact O-N 2.81Å; I12-N16 WeakPolarHBondContact O-CB 3.43Å; I12-N16 PolarHBondContact O-N 2.83Å
13	V	34.2	Very low	31.3	Very low	29 Å²	29	111.9 Å²	111.9	18%	0.176	53%	0.534	C	S	.	.	H	α-helix	trans	-64.6	-35.9	173.4	171.4	0	0	0	0	111.7	A9 K17	A9-V13 WeakPolarHBondContact O-CA 3.17Å; A9-V13 WeakPolarHBondContact O-CB 3.49Å; A9-V13 WeakPolarHBondContact O-CG2 3.28Å; A9-V13 PolarHBondContact O-N 2.98Å; V13-K17 HydrophobicContact CG1-CD 3.76Å; V13-K17 VanDerWaalsContact CG1-CE 3.5Å; V13-K17 HydrophobicContact CG1-CG 4Å; V13-K17 WeakPolarHBondContact O-CA 3.42Å; V13-K17 WeakPolarHBondContact O-CB 3.21Å; V13-K17 WeakPolarHBondContact O-CG 3.1Å; V13-K17 PolarHBondContact O-N 2.83Å
14	R	31.1	Very low	31.3	Very low	155 Å²	155	106.5 Å²	106.5	59%	0.585	52%	0.521	S	S	*	.	H	α-helix	trans	-69.7	-41.2	174.2	-81.9	170.6	-163.6	-150.8	2.2	111.7	D10 A11 I12 N16 K17 T18	D10-R14 WeakPolarHBondContact O-CA 3.31Å; D10-R14 WeakPolarHBondContact O-CB 3.36Å; D10-R14 WeakPolarHBondContact O-CD 3.29Å; D10-R14 WeakPolarHBondContact O-CG 3.12Å; D10-R14 PolarHBondContact O-N 3.26Å; A11-R14 PolarHBondContact O-N 3.33Å; I12-R14 PolarHBondContact O-N 2.85Å; R14-N16 VanDerWaalsContact C-N 3.3Å; R14-N16 PolarHBondContact O-N 3.44Å; R14-K17 PolarHBondContact O-N 3.21Å; R14-T18 PolarHBondContact O-N 2.89Å; R14-T18 PolarHBondContact O-OG1 3.39Å
15	R	33.4	Very low	31.5	Very low	196 Å²	196	102.1 Å²	102.1	74%	0.74	51%	0.514	S	S	*	.	H	α-helix	trans	-60.4	-43.5	175.2	-152.6	177.8	-170.4	-177.2	2.4	110.4	A11 I12 V19	A11-R15 WeakPolarHBondContact O-CB 3.2Å; A11-R15 PolarHBondContact O-N 3.13Å; I12-R15 PolarHBondContact O-N 2.81Å; R15-V19 WeakPolarHBondContact O-CG2 3.35Å; R15-V19 PolarHBondContact O-N 3.48Å
16	N	33.3	Very low	31.3	Very low	54 Å²	54	100.3 Å²	100.3	29%	0.289	51%	0.509	S	S	.	.	H	α-helix	trans	-75.6	-32	176.4	-71.6	-8.3	0	0	0	113.6	I12 R14 V19 H20	I12-N16 WeakPolarHBondContact O-CB 3.43Å; I12-N16 PolarHBondContact O-N 2.83Å; R14-N16 VanDerWaalsContact C-N 3.3Å; R14-N16 PolarHBondContact O-N 3.44Å; N16-V19 PolarHBondContact O-N 2.93Å; N16-H20 PolarHBondContact O-CD2 3.48Å; N16-H20 PolarHBondContact O-N 2.85Å
17	K	30.5	Very low	31.2	Very low	127 Å²	127	101 Å²	101	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-67.8	-34.1	174	-84.3	-179.6	178.2	178.3	0	112.4	V13 R14 V19 H20 Q21	V13-K17 HydrophobicContact CG1-CD 3.76Å; V13-K17 VanDerWaalsContact CG1-CE 3.5Å; V13-K17 HydrophobicContact CG1-CG 4Å; V13-K17 WeakPolarHBondContact O-CA 3.42Å; V13-K17 WeakPolarHBondContact O-CB 3.21Å; V13-K17 WeakPolarHBondContact O-CG 3.1Å; V13-K17 PolarHBondContact O-N 2.83Å; R14-K17 PolarHBondContact O-N 3.21Å; K17-V19 VanDerWaalsContact C-N 3.26Å; K17-V19 PolarHBondContact O-N 3.33Å; K17-H20 PolarHBondContact O-N 3.16Å; K17-Q21 PolarHBondContact O-N 3.18Å
18	T	32.4	Very low	31	Very low	72 Å²	72	100 Å²	100	44%	0.442	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-34.4	175.3	-39.5	0	0	0	0	110.4	R14	R14-T18 PolarHBondContact O-N 2.89Å; R14-T18 PolarHBondContact O-OG1 3.39Å
19	V	32.5	Very low	30.4	Very low	56 Å²	56	109 Å²	109	34%	0.339	55%	0.548	S	S	.	.	H	α-helix	trans	-71.7	-37.5	171.4	178.2	0	0	0	0	111.4	R15 N16 K17 Q22 L23	R15-V19 WeakPolarHBondContact O-CG2 3.35Å; R15-V19 PolarHBondContact O-N 3.48Å; N16-V19 PolarHBondContact O-N 2.93Å; K17-V19 VanDerWaalsContact C-N 3.26Å; K17-V19 PolarHBondContact O-N 3.33Å; V19-Q22 WeakPolarHBondContact O-CB 3.28Å; V19-Q22 PolarHBondContact O-N 3.27Å; V19-L23 HydrophobicContact CG1-CD1 4.38Å
20	H	35.2	Very low	30.2	Very low	83 Å²	83	110.9 Å²	110.9	38%	0.384	56%	0.564	S	S	.	*	H	α-helix	trans	-73	-31.7	178.9	-80.7	-59.6	0	0	0	114.8	N16 K17 Q22 L23 D24	N16-H20 PolarHBondContact O-CD2 3.48Å; N16-H20 PolarHBondContact O-N 2.85Å; K17-H20 PolarHBondContact O-N 3.16Å; H20-Q22 PolarHBondContact O-N 2.8Å; H20-Q22 VanDerWaalsContact O-N 3.1Å; H20-L23 PolarHBondContact O-N 2.9Å; H20-D24 PolarHBondContact O-N 3.5Å
21	Q	32.4	Very low	30	Very low	150 Å²	150	119.2 Å²	119.2	70%	0.701	59%	0.59	S	S	*	*	H	α-helix	trans	-59.9	-20.1	170.7	-81.1	-177.2	-26.8	0	0	112.7	K17	K17-Q21 PolarHBondContact O-N 3.18Å
22	Q	29.6	Very low	29.5	Very low	105 Å²	105	127.2 Å²	127.2	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-87.6	-19	173.7	-63.1	-175.6	-41.1	0	0	113.8	V19 H20	V19-Q22 WeakPolarHBondContact O-CB 3.28Å; V19-Q22 PolarHBondContact O-N 3.27Å; H20-Q22 PolarHBondContact O-N 2.8Å; H20-Q22 VanDerWaalsContact O-N 3.1Å
23	L	29.2	Very low	29.1	Very low	111 Å²	111	128.1 Å²	128.1	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-98	-32.1	-178.1	-76.7	162.3	0	0	0	113	V19 H20 S25	V19-L23 HydrophobicContact CG1-CD1 4.38Å; H20-L23 PolarHBondContact O-N 2.9Å; L23-S25 PolarHBondContact O-N 3.06Å
24	D	26.7	Very low	28.7	Very low	124 Å²	124	132 Å²	132	66%	0.663	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	6.4	-179.5	-77	-21.2	0	0	0	114	H20 Q26	H20-D24 PolarHBondContact O-N 3.5Å; D24-Q26 PolarHBondContact O-N 3.41Å; D24-Q26 VanDerWaalsContact O-N 3.16Å
25	S	31.3	Very low	28.7	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	9.7	170.6	66.4	0	0	0	0	113.7	L23	L23-S25 PolarHBondContact O-N 3.06Å
26	Q	24.5	Very low	28.4	Very low	156 Å²	156	127.9 Å²	127.9	73%	0.729	68%	0.683	S	S	*	*	S	Bend	trans	-95.8	124.6	169.1	-65.8	-147.1	-2.2	0	0	111	D24 I28	D24-Q26 PolarHBondContact O-N 3.41Å; D24-Q26 VanDerWaalsContact O-N 3.16Å; Q26-I28 PolarHBondContact O-N 2.75Å
27	P	25.5	Very low	28.1	Very low	132 Å²	132	134 Å²	134	86%	0.857	71%	0.71	S	S	*	*			trans	-73.2	103.7	-167	27.6	-32.9	0	0	0	111.7	R29	P27-R29 PolarHBondContact O-N 2.88Å
28	I	25.4	Very low	27.9	Very low	159 Å²	159	135.8 Å²	135.8	82%	0.815	73%	0.726	S	S	*	*			trans	-82.7	115.8	167.6	-59.5	179.1	0	0	0	108.8	Q26 A30	Q26-I28 PolarHBondContact O-N 2.75Å; I28-A30 PolarHBondContact O-N 3.5Å; I28-A30 VanDerWaalsContact O-N 3.07Å
29	R	23.1	Very low	27.8	Very low	246 Å²	246	137.2 Å²	137.2	93%	0.928	75%	0.745	S	S	*	*			trans	-64.4	96.8	-179.1	-154.2	178.7	-157.9	178	5	110.6	P27 R31	P27-R29 PolarHBondContact O-N 2.88Å; R29-R31 PolarHBondContact O-N 2.94Å
30	A	29.4	Very low	27.5	Very low	96 Å²	96	145.9 Å²	145.9	79%	0.793	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-69.3	120	177.7	0	0	0	0	0	111.5	I28	I28-A30 PolarHBondContact O-N 3.5Å; I28-A30 VanDerWaalsContact O-N 3.07Å
31	R	24.2	Very low	27.1	Very low	248 Å²	248	150.8 Å²	150.8	94%	0.936	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.9	129.7	172.4	-109.9	176.7	175.1	179.2	-2	109.9	R29 G33	R29-R31 PolarHBondContact O-N 2.94Å; R31-G33 PolarHBondContact O-N 3.29Å
32	K	22.2	Very low	27	Very low	220 Å²	220	150.9 Å²	150.9	96%	0.957	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-64.5	120.1	173.4	-69.8	177.3	174.4	-178.9	0	110.3
33	G	25.7	Very low	27	Very low	74 Å²	74	154.3 Å²	154.3	76%	0.763	82%	0.82	S	S	*	*			trans	-131.3	125.5	166	0	0	0	0	0	108.6	R31	R31-G33 PolarHBondContact O-N 3.29Å
34	S	26.1	Very low	27.2	Very low	111 Å²	111	155.2 Å²	155.2	78%	0.776	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-68.5	139.8	-172.6	49.2	0	0	0	0	113.2
35	P	30	Very low	27.6	Very low	127 Å²	127	151 Å²	151	83%	0.825	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-88.1	121	177.2	32	-26.9	0	0	0	111.1
36	T	27.5	Very low	27.9	Very low	138 Å²	138	150.4 Å²	150.4	85%	0.847	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.8	137.9	162.6	43	0	0	0	0	109.9
37	E	26.6	Very low	28.7	Very low	181 Å²	181	148.1 Å²	148.1	85%	0.846	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.7	164.8	-176.2	-68.8	164.5	136.4	0	0	114.1
38	D	26.9	Very low	29.6	Very low	166 Å²	166	149.4 Å²	149.4	89%	0.888	80%	0.796	S	S	*	*			trans	95.1	76.3	171.1	-59.8	-26.4	0	0	0	118.5
39	A	29.2	Very low	30.2	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	79%	0.79	S	S	*	*			trans	-154	109.2	139.6	0	0	0	0	0	109.9
40	R	27.1	Very low	31.2	Very low	238 Å²	238	143.3 Å²	143.3	90%	0.898	77%	0.77	S	S	*	*			trans	-57.9	140.9	176.6	-72.3	173.9	174.5	176.3	-3.1	112.2
41	E	26.6	Very low	31.7	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	77%	0.765	S	S	*	*			trans	57.3	71.5	151.5	-64.4	179.2	172.2	0	0	117.6
42	L	30.5	Very low	32.5	Very low	152 Å²	152	138.5 Å²	138.5	80%	0.796	74%	0.744	S	S	*	*			trans	-109.7	131.1	138.5	-111.6	96.4	0	0	0	108.4	I44	L42-I44 HydrophobicContact CB-CG1 4.33Å; L42-I44 PolarHBondContact O-N 3.47Å
43	N	29.9	Very low	33.5	Very low	177 Å²	177	135.7 Å²	135.7	95%	0.947	73%	0.731	S	S	*	*			trans	-65.7	68.8	178.2	-138.3	-15.9	0	0	0	109.9	G45	N43-G45 PolarHBondContact O-N 2.78Å
44	I	32.1	Very low	34.4	Very low	131 Å²	131	140 Å²	140	67%	0.672	73%	0.734	S	S	*	*			trans	-77.6	112.8	175.7	-61	171.2	0	0	0	105.3	L42 L50	L42-I44 HydrophobicContact CB-CG1 4.33Å; L42-I44 PolarHBondContact O-N 3.47Å; I44-L50 HydrophobicContact CG2-CD1 4.24Å
45	G	35.5	Very low	34.8	Very low	36 Å²	36	142 Å²	142	37%	0.371	73%	0.731	S	S	.	*			trans	-47.2	147.8	-177.9	0	0	0	0	0	112.6	N43	N43-G45 PolarHBondContact O-N 2.78Å
46	T	37.8	Very low	35.1	Very low	84 Å²	84	143 Å²	143	52%	0.515	72%	0.724	S	S	.	*			trans	-43.6	144.4	-177.1	29.3	0	0	0	0	113	E48 R49	T46-E48 PolarHBondContact O-N 3.4Å; T46-R49 WeakPolarHBondContact O-CB 3.37Å; T46-R49 PolarHBondContact O-N 3.25Å
47	P	42.3	Very low	35.3	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	72%	0.723	S	S	*	*	H	α-helix	trans	-49.1	-31.7	-178.1	-28.3	33.7	0	0	0	114.5	R49 L50 R51	P47-R49 PolarHBondContact O-N 2.91Å; P47-L50 PolarHBondContact O-N 3.38Å; P47-R51 PolarHBondContact O-N 2.71Å
48	E	42.8	Very low	35.9	Very low	160 Å²	160	142 Å²	142	75%	0.748	72%	0.716	S	S	*	*	H	α-helix	trans	-61.2	-36.8	174.7	-76.7	178.4	147.6	0	0	113.6	T46 R51 A52	T46-E48 PolarHBondContact O-N 3.4Å; E48-R51 PolarHBondContact O-N 2.81Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.76Å
49	R	39.7	Very low	36.5	Very low	180 Å²	180	138.8 Å²	138.8	68%	0.679	71%	0.705	S	S	*	*	H	α-helix	trans	-70.8	-31.7	177.5	-73.7	-175.9	173.1	-176.4	-0.3	112.6	T46 P47 K53	T46-R49 WeakPolarHBondContact O-CB 3.37Å; T46-R49 PolarHBondContact O-N 3.25Å; P47-R49 PolarHBondContact O-N 2.91Å; R49-K53 PolarHBondContact O-N 2.8Å
50	L	42.4	Very low	36.7	Very low	97 Å²	97	139.4 Å²	139.4	51%	0.508	70%	0.7	S	S	.	*	H	α-helix	trans	-71.5	-40.9	173.9	-83.9	158.4	0	0	0	110.9	I44 P47 K53 M54	I44-L50 HydrophobicContact CG2-CD1 4.24Å; P47-L50 PolarHBondContact O-N 3.38Å; L50-K53 PolarHBondContact O-N 3.38Å; L50-M54 WeakPolarHBondContact O-CG 3.41Å; L50-M54 PolarHBondContact O-N 3.45Å; L50-M54 VanDerWaalsContact O-N 3.15Å
51	R	40.4	Very low	37.2	Very low	183 Å²	183	132.4 Å²	132.4	69%	0.691	69%	0.686	S	S	*	*	H	α-helix	trans	-63.9	-43.8	175.4	-137.1	176.8	-168.8	170.9	2.1	112	P47 E48 K53 M54 E55	P47-R51 PolarHBondContact O-N 2.71Å; E48-R51 PolarHBondContact O-N 2.81Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 2.84Å; R51-M54 PolarHBondContact O-N 3.35Å; R51-E55 PolarHBondContact O-N 2.82Å
52	A	41.3	Very low	37.9	Very low	59 Å²	59	127.7 Å²	127.7	49%	0.488	67%	0.671	S	S	.	*	H	α-helix	trans	-61.6	-36.3	176	0	0	0	0	0	113	E48 M54 E55 E56	E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.76Å; A52-M54 VanDerWaalsContact C-N 3.34Å; A52-E55 PolarHBondContact O-N 3.18Å; A52-E56 PolarHBondContact O-N 3.15Å; A52-E56 VanDerWaalsContact O-N 3.17Å
53	K	43.8	Very low	38.3	Very low	161 Å²	161	126 Å²	126	70%	0.7	67%	0.669	S	S	*	*	H	α-helix	trans	-71.4	-25	174	-81.7	-173.7	174	-176	0	113.9	R49 L50 R51	R49-K53 PolarHBondContact O-N 2.8Å; L50-K53 PolarHBondContact O-N 3.38Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 2.84Å
54	M	43.3	Very low	39	Very low	166 Å²	166	123.2 Å²	123.2	82%	0.818	66%	0.663	S	S	*	*	H	α-helix	trans	-82.5	-25.9	175.8	-69.6	-179.8	72.8	0	0	112.4	L50 R51 A52	L50-M54 WeakPolarHBondContact O-CG 3.41Å; L50-M54 PolarHBondContact O-N 3.45Å; L50-M54 VanDerWaalsContact O-N 3.15Å; R51-M54 PolarHBondContact O-N 3.35Å; A52-M54 VanDerWaalsContact C-N 3.34Å
55	E	35.7	Very low	39.9	Very low	153 Å²	153	122.6 Å²	122.6	72%	0.715	67%	0.666	S	S	*	*	H	α-helix	trans	-88.8	-10.5	176.1	-72.6	177.9	174.8	0	0	113.6	R51 A52 K57	R51-E55 PolarHBondContact O-N 2.82Å; A52-E55 PolarHBondContact O-N 3.18Å; E55-K57 PolarHBondContact O-N 3.1Å
56	E	35.1	Very low	41.1	Very low	147 Å²	147	123.3 Å²	123.3	69%	0.687	67%	0.674	S	S	*	*	S	Bend	trans	-66.1	102	175.6	-158.7	172.1	-164.6	0	0	109.4	A52	A52-E56 PolarHBondContact O-N 3.15Å; A52-E56 VanDerWaalsContact O-N 3.17Å
57	K	31.5	Very low	42.6	Very low	189 Å²	189	122.7 Å²	122.7	82%	0.822	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-49.2	126.6	173.6	-147	177.3	-170.5	178.8	0	107.6	E55	E55-K57 PolarHBondContact O-N 3.1Å
58	P	40.1	Very low	44.3	Very low	108 Å²	108	120.7 Å²	120.7	70%	0.701	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-53.9	139.9	-177	19.5	-30.5	0	0	0	109.2
59	P	40.1	Very low	46.3	Very low	100 Å²	100	119.5 Å²	119.5	65%	0.649	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-53.6	141	179.4	21.8	-31.7	0	0	0	108.7
60	P	33.1	Very low	48.5	Very low	114 Å²	114	112.4 Å²	112.4	74%	0.74	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-52.7	140.6	176.1	21.8	-31.2	0	0	0	108.6
61	P	37.4	Very low	50.9	Low	92 Å²	92	109.7 Å²	109.7	60%	0.597	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-52.6	142	179.4	21.9	-31.8	0	0	0	108.7
62	P	41.7	Very low	53.5	Low	86 Å²	86	104.2 Å²	104.2	56%	0.558	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-51.4	142.6	174.2	22.4	-31.7	0	0	0	108.4	S64	P62-S64 PolarHBondContact O-N 2.72Å; P62-S64 VanDerWaalsContact O-N 3.15Å
63	P	37.5	Very low	56.1	Low	116 Å²	116	102.6 Å²	102.6	75%	0.753	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-48.4	129.5	179.1	18.2	-30	0	0	0	108.6	T65	P63-T65 PolarHBondContact O-N 3.21Å
64	S	44.6	Very low	58.4	Low	118 Å²	118	98 Å²	98	83%	0.825	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-53	117.6	-178.7	57.7	0	0	0	0	107.2	P62 G66	P62-S64 PolarHBondContact O-N 2.72Å; P62-S64 VanDerWaalsContact O-N 3.15Å; S64-G66 PolarHBondContact O-N 3.11Å
65	T	51.8	Low	60.9	Low	119 Å²	119	91.9 Å²	91.9	73%	0.73	54%	0.536	S	S	*	.			trans	-69	9.7	-175.3	49.3	0	0	0	0	112.3	P63 V67	P63-T65 PolarHBondContact O-N 3.21Å; T65-V67 PolarHBondContact O-N 3.38Å
66	G	61.4	Low	63.7	Low	51 Å²	51	90 Å²	90	53%	0.526	53%	0.526	S	S	.	.	S	Bend	trans	63.9	-2.6	-173.3	0	0	0	0	0	114.1	S64 Q491	S64-G66 PolarHBondContact O-N 3.11Å; G66-Q491 PolarHBondContact O-NE2 2.87Å
67	V	67.8	Low	66.6	Low	71 Å²	71	85.8 Å²	85.8	43%	0.43	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-87.1	117	-178.7	-178.6	0	0	0	0	109	T65 E69 P487	T65-V67 PolarHBondContact O-N 3.38Å; V67-E69 PolarHBondContact O-N 2.8Å; V67-P487 HydrophobicContact CG1-CB 3.52Å
68	T	78.9	Confident	69.7	Low	64 Å²	64	76.9 Å²	76.9	39%	0.393	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62.7	127.9	173.7	-50.2	0	0	0	0	110.1	R490	T68-R490 VanDerWaalsContact O-CD 3.28Å; T68-R490 WeakPolarHBondContact O-CD 3.42Å
69	E	84.3	Confident	72.4	Confident	136 Å²	136	71.7 Å²	71.7	64%	0.636	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64	155.5	176.4	-66.2	-170.8	163.7	0	0	111.8	V67 E71	V67-E69 PolarHBondContact O-N 2.8Å; E69-E71 PolarHBondContact O-N 3.25Å
70	K	87.3	Confident	75.1	Confident	31 Å²	31	68 Å²	68	14%	0.135	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-65.5	134.4	176.6	-172.4	168.5	-179.2	168.6	0	109	S135 S382 Y383 D484	K70-S135 WeakPolarHBondContact CD-O 3.46Å; K70-S135 PolarHBondContact NZ-O 3.48Å; K70-S382 WeakPolarHBondContact CE-OG 3.48Å; K70-S382 PolarHBondContact NZ-OG 3.33Å; K70-Y383 HydrophobicContact CD-CE1 4.36Å; K70-Y383 HydrophobicContact CG-CD1 4.15Å; K70-Y383 HydrophobicContact CG-CE1 3.86Å; K70-D484 IonicContact NZ-OD1 3.55Å; K70-D484 IonicContact NZ-OD2 3.67Å; K70-D484 PolarHBondContact NZ-OD2 3.01Å
71	E	91.7	Very high	78.1	Confident	39 Å²	39	63.6 Å²	63.6	18%	0.182	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-60.5	161.7	179.6	-49.6	178.8	-139.6	0	0	110.5	E69 V307 Y383 K495	E69-E71 PolarHBondContact O-N 3.25Å; E71-V307 HydrophobicContact CB-CG2 4.08Å; E71-Y383 HydrophobicContact CB-CD1 4.44Å; E71-Y383 HydrophobicContact CB-CE1 4.42Å; E71-Y383 VanDerWaalsContact O-CD1 3.27Å; E71-Y383 WeakPolarHBondContact O-CD1 3.4Å; E71-K495 WeakPolarHBondContact OE1-CE 3.09Å; E71-K495 IonicContact OE1-NZ 2.69Å; E71-K495 PolarHBondContact OE1-NZ 3.41Å; E71-K495 IonicContact OE2-NZ 3.66Å; E71-K495 PolarHBondContact OE2-NZ 3.02Å
72	K	94.6	Very high	80.9	Confident	69 Å²	69	59.2 Å²	59.2	30%	0.3	35%	0.354	S	S	.	.			trans	-130.5	154.1	170.1	-62.8	-66.1	176.6	-178.9	0	109	S135 S382 Y383 N384	K72-S135 PolarHBondContact NZ-OG 3.05Å; K72-S382 PolarHBondContact NZ-O 2.7Å; K72-Y383 VanDerWaalsContact CA-O 3.32Å; K72-Y383 WeakPolarHBondContact CA-O 3.27Å; K72-Y383 WeakPolarHBondContact CD-O 3.39Å; K72-N384 WeakPolarHBondContact CD-O 3.2Å; K72-N384 WeakPolarHBondContact CE-O 3.48Å; K72-N384 PolarHBondContact NZ-O 3.17Å
73	W	95.6	Very high	83.6	Confident	25 Å²	25	55.1 Å²	55.1	10%	0.095	33%	0.327	C	S	.	.			trans	-54.9	141.7	175.7	-67.2	108.1	0	0	0	111.4	S75 E78 F79 S82 V307 M310 L380 Y383	W73-S75 VanDerWaalsContact C-N 3.29Å; W73-E78 HydrophobicContact CE3-CB 4.09Å; W73-F79 HydrophobicContact CB-CB 4.38Å; W73-F79 AromaticContact CD1-CD2 3.91Å; W73-F79 HydrophobicContact CD2-CB 4.04Å; W73-F79 AromaticContact CE2-CD2 3.97Å; W73-F79 HydrophobicContact CG-CB 3.79Å; W73-F79 HydrophobicContact CZ2-CD2 4.45Å; W73-F79 AromaticContact NE1-CD2 3.38Å; W73-F79 AromaticContact NE1-CG 3.97Å; W73-S82 WeakPolarHBondContact CH2-OG 3.4Å; W73-V307 HydrophobicContact CE3-CB 4.19Å; W73-V307 HydrophobicContact CH2-CB 3.95Å; W73-V307 HydrophobicContact CH2-CG1 4.25Å; W73-V307 HydrophobicContact CZ2-CB 4.33Å; W73-V307 HydrophobicContact CZ2-CG1 4.39Å; W73-V307 HydrophobicContact CZ3-CB 3.88Å; W73-V307 VanDerWaalsContact CZ3-O 3.28Å; W73-V307 WeakPolarHBondContact CZ3-O 3.33Å; W73-M310 HydrophobicContact CH2-SD 3.92Å; W73-L380 HydrophobicContact CH2-CD2 4.02Å; W73-L380 HydrophobicContact CZ2-CB 4.42Å; W73-L380 HydrophobicContact CZ2-CD2 3.68Å; W73-L380 PolarHBondContact NE1-O 3.25Å; W73-Y383 PolarHBondContact N-O 2.87Å; W73-Y383 VanDerWaalsContact NE1-CB 3.33Å
74	A	93.5	Very high	86.3	Confident	63 Å²	63	50.4 Å²	50.4	52%	0.521	30%	0.296	S	S	.	.	S	Bend	trans	-75	-24.3	179.2	0	0	0	0	0	111.8	E78	A74-E78 VanDerWaalsContact CB-OE2 3.3Å; A74-E78 WeakPolarHBondContact CB-OE2 3.16Å; A74-E78 PolarHBondContact N-OE2 3.44Å
75	S	95.1	Very high	88.7	Confident	38 Å²	38	44.9 Å²	44.9	27%	0.266	26%	0.258	S	S	.	.			trans	-147.9	160.4	169.4	84.5	0	0	0	0	112.3	W73 T77 E78 F79 Y315	W73-S75 VanDerWaalsContact C-N 3.29Å; S75-T77 PolarHBondContact O-N 3.23Å; S75-T77 PolarHBondContact OG-N 2.97Å; S75-E78 PolarHBondContact O-N 3.36Å; S75-E78 WeakPolarHBondContact OG-CG 3.24Å; S75-E78 PolarHBondContact OG-N 3.11Å; S75-E78 VanDerWaalsContact OG-N 3.15Å; S75-F79 PolarHBondContact O-N 2.76Å; S75-Y315 PolarHBondContact OG-OH 2.95Å
76	K	95	Very high	90.8	Very high	114 Å²	114	39.4 Å²	39.4	50%	0.496	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-30.2	173.3	-61.3	-176.8	176.6	-177.5	0	112.3	M80 N388	K76-M80 WeakPolarHBondContact O-CB 3.37Å; K76-M80 PolarHBondContact O-N 3.07Å; K76-N388 WeakPolarHBondContact CD-OD1 3.26Å; K76-N388 WeakPolarHBondContact CG-OD1 3.47Å
77	T	95.2	Very high	92.4	Very high	59 Å²	59	37 Å²	37	36%	0.362	20%	0.199	S	C	.	.	H	α-helix	trans	-69.2	-38.5	178.5	-53.8	0	0	0	0	111.4	S75 M80 L81 Y315	S75-T77 PolarHBondContact O-N 3.23Å; S75-T77 PolarHBondContact OG-N 2.97Å; T77-M80 PolarHBondContact O-N 3.25Å; T77-L81 HydrophobicContact CG2-CD1 3.92Å; T77-L81 HydrophobicContact CG2-CG 4.2Å; T77-L81 WeakPolarHBondContact O-CB 3.31Å; T77-L81 WeakPolarHBondContact O-CG 3.45Å; T77-L81 PolarHBondContact O-N 2.8Å; T77-Y315 HydrophobicContact CG2-CE1 3.83Å
78	E	96.8	Very high	93.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-44.7	176.3	-68.7	177.8	-174.1	0	0	111.5	W73 A74 S75 S82 G311 K312 Y315	W73-E78 HydrophobicContact CE3-CB 4.09Å; A74-E78 VanDerWaalsContact CB-OE2 3.3Å; A74-E78 WeakPolarHBondContact CB-OE2 3.16Å; A74-E78 PolarHBondContact N-OE2 3.44Å; S75-E78 PolarHBondContact O-N 3.36Å; S75-E78 WeakPolarHBondContact OG-CG 3.24Å; S75-E78 PolarHBondContact OG-N 3.11Å; S75-E78 VanDerWaalsContact OG-N 3.15Å; E78-S82 WeakPolarHBondContact O-CB 3.36Å; E78-S82 PolarHBondContact O-N 3.44Å; E78-S82 PolarHBondContact O-OG 3.01Å; E78-G311 WeakPolarHBondContact CG-O 3.21Å; E78-K312 WeakPolarHBondContact OE1-CD 3.36Å; E78-K312 VanDerWaalsContact OE1-CE 3.28Å; E78-K312 WeakPolarHBondContact OE1-CE 3.22Å; E78-K312 IonicContact OE1-NZ 3.49Å; E78-K312 PolarHBondContact OE1-NZ 3.26Å; E78-Y315 HydrophobicContact CG-CE2 3.58Å
79	F	97.2	Very high	93.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-54	173.5	167.3	-111.9	0	0	0	111.8	W73 S75 L81 S82 C83 L128 L380 N384 D393	W73-F79 HydrophobicContact CB-CB 4.38Å; W73-F79 AromaticContact CD1-CD2 3.91Å; W73-F79 HydrophobicContact CD2-CB 4.04Å; W73-F79 AromaticContact CE2-CD2 3.97Å; W73-F79 HydrophobicContact CG-CB 3.79Å; W73-F79 HydrophobicContact CZ2-CD2 4.45Å; W73-F79 AromaticContact NE1-CD2 3.38Å; W73-F79 AromaticContact NE1-CG 3.97Å; S75-F79 PolarHBondContact O-N 2.76Å; F79-L81 VanDerWaalsContact C-N 3.33Å; F79-L81 PolarHBondContact O-N 2.81Å; F79-S82 WeakPolarHBondContact O-CB 3.3Å; F79-S82 PolarHBondContact O-N 3.28Å; F79-S82 VanDerWaalsContact O-N 3.08Å; F79-C83 WeakPolarHBondContact CE2-SG 3.4Å; F79-C83 VanDerWaalsContact CZ-SG 3.56Å; F79-C83 PolarHBondContact O-N 2.91Å; F79-L128 HydrophobicContact CE2-CD2 4.45Å; F79-L128 HydrophobicContact CZ-CD2 3.85Å; F79-L380 HydrophobicContact CD2-CB 4.4Å; F79-L380 HydrophobicContact CE2-CB 4.03Å; F79-N384 WeakPolarHBondContact CD1-OD1 3.18Å; F79-N384 VanDerWaalsContact CD2-OD1 3.25Å; F79-N384 WeakPolarHBondContact CD2-OD1 3.2Å; F79-N384 WeakPolarHBondContact CE1-ND2 3.48Å; F79-N384 WeakPolarHBondContact CE2-ND2 3.28Å; F79-N384 WeakPolarHBondContact CG-OD1 3.47Å; F79-N384 WeakPolarHBondContact CZ-ND2 3.49Å; F79-D393 HydrophobicContact CE1-CB 4.04Å; F79-D393 VanDerWaalsContact CE1-OD2 3.24Å; F79-D393 WeakPolarHBondContact CE1-OD2 2.97Å
80	M	96.5	Very high	94	Very high	22 Å²	22	24.9 Å²	24.9	11%	0.108	14%	0.135	C	C	.	.	H	α-helix	trans	-59.5	-42.9	-177.3	-176	-168	74.7	0	0	111.8	K76 T77 C83 L84 V396	K76-M80 WeakPolarHBondContact O-CB 3.37Å; K76-M80 PolarHBondContact O-N 3.07Å; T77-M80 PolarHBondContact O-N 3.25Å; M80-C83 PolarHBondContact O-N 3.49Å; M80-L84 WeakPolarHBondContact O-CB 3.49Å; M80-L84 PolarHBondContact O-N 2.96Å; M80-V396 HydrophobicContact CE-CG1 4.14Å; M80-V396 HydrophobicContact CG-CB 4.25Å; M80-V396 HydrophobicContact CG-CG1 4.02Å; M80-V396 HydrophobicContact SD-CB 4Å; M80-V396 HydrophobicContact SD-CG1 3.74Å; M80-V396 HydrophobicContact SD-CG2 3.96Å
81	L	96.2	Very high	94	Very high	21 Å²	21	23.5 Å²	23.5	11%	0.11	13%	0.13	C	C	.	.	H	α-helix	trans	-68.2	-34.7	175.3	-73.4	177.2	0	0	0	112.4	T77 F79 L84 G85 I314 Y315	T77-L81 HydrophobicContact CG2-CD1 3.92Å; T77-L81 HydrophobicContact CG2-CG 4.2Å; T77-L81 WeakPolarHBondContact O-CB 3.31Å; T77-L81 WeakPolarHBondContact O-CG 3.45Å; T77-L81 PolarHBondContact O-N 2.8Å; F79-L81 VanDerWaalsContact C-N 3.33Å; F79-L81 PolarHBondContact O-N 2.81Å; L81-L84 HydrophobicContact CD2-CD2 4.32Å; L81-L84 PolarHBondContact O-N 3.36Å; L81-G85 PolarHBondContact O-N 3.39Å; L81-I314 HydrophobicContact CB-CG1 4.24Å; L81-I314 HydrophobicContact CB-CG2 3.89Å; L81-Y315 HydrophobicContact CD1-CD1 3.55Å; L81-Y315 HydrophobicContact CD1-CE1 3.63Å; L81-Y315 HydrophobicContact CD1-CG 4.29Å
82	S	97.2	Very high	93.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-41.7	175.6	-58.2	0	0	0	0	111.5	W73 E78 F79 F86	W73-S82 WeakPolarHBondContact CH2-OG 3.4Å; E78-S82 WeakPolarHBondContact O-CB 3.36Å; E78-S82 PolarHBondContact O-N 3.44Å; E78-S82 PolarHBondContact O-OG 3.01Å; F79-S82 WeakPolarHBondContact O-CB 3.3Å; F79-S82 PolarHBondContact O-N 3.28Å; F79-S82 VanDerWaalsContact O-N 3.08Å; S82-F86 WeakPolarHBondContact O-CB 3.35Å; S82-F86 PolarHBondContact O-N 3.45Å
83	C	96.9	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.7	-37.2	173.4	-64.8	0	0	0	0	112.3	F79 M80 F86 A87 L377 I397	F79-C83 WeakPolarHBondContact CE2-SG 3.4Å; F79-C83 VanDerWaalsContact CZ-SG 3.56Å; F79-C83 PolarHBondContact O-N 2.91Å; M80-C83 PolarHBondContact O-N 3.49Å; C83-F86 PolarHBondContact O-N 3.44Å; C83-A87 PolarHBondContact O-N 2.95Å; C83-A87 VanDerWaalsContact O-N 3.07Å; C83-L377 HydrophobicContact CB-CD2 4.21Å; C83-I397 HydrophobicContact CB-CD1 3.33Å; C83-I397 HydrophobicContact CB-CG1 3.73Å
84	L	95.5	Very high	93	Very high	18 Å²	18	18.3 Å²	18.3	9%	0.094	11%	0.107	C	C	.	.	H	α-helix	trans	-65	-48.3	175.5	177.8	62.5	0	0	0	111.2	M80 L81 F86 A87 V88	M80-L84 WeakPolarHBondContact O-CB 3.49Å; M80-L84 PolarHBondContact O-N 2.96Å; L81-L84 HydrophobicContact CD2-CD2 4.32Å; L81-L84 PolarHBondContact O-N 3.36Å; L84-F86 VanDerWaalsContact C-N 3.27Å; L84-F86 PolarHBondContact O-N 3.26Å; L84-A87 PolarHBondContact O-N 3.5Å; L84-V88 HydrophobicContact CD1-CG2 3.64Å; L84-V88 HydrophobicContact CG-CG2 4.18Å; L84-V88 VanDerWaalsContact O-CB 3.26Å; L84-V88 WeakPolarHBondContact O-CB 3.24Å; L84-V88 VanDerWaalsContact O-CG2 3.24Å; L84-V88 WeakPolarHBondContact O-CG2 3.31Å; L84-V88 PolarHBondContact O-N 3.14Å
85	G	94.6	Very high	92.7	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-61.6	-35.2	175.8	0	0	0	0	0	112.3	L81 V88 D469	L81-G85 PolarHBondContact O-N 3.39Å; G85-V88 CarbonylContact O-C 3.4Å; G85-V88 PolarHBondContact O-N 2.96Å; G85-D469 WeakPolarHBondContact O-CB 3.37Å
86	F	95.6	Very high	92.5	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-48	173.6	-169	-137.4	0	0	0	112.2	S82 C83 L84 S371 L377 L380 S470 V473 L474	S82-F86 WeakPolarHBondContact O-CB 3.35Å; S82-F86 PolarHBondContact O-N 3.45Å; C83-F86 PolarHBondContact O-N 3.44Å; L84-F86 VanDerWaalsContact C-N 3.27Å; L84-F86 PolarHBondContact O-N 3.26Å; F86-S371 VanDerWaalsContact CD1-CB 3.47Å; F86-S371 WeakPolarHBondContact CE1-O 3.39Å; F86-S371 PolarHBondContact O-OG 3.46Å; F86-S371 VanDerWaalsContact O-OG 3.05Å; F86-L377 HydrophobicContact CD1-CD2 3.96Å; F86-L377 HydrophobicContact CD1-CG 4.27Å; F86-L377 HydrophobicContact CE1-CG 4.41Å; F86-L380 HydrophobicContact CB-CD1 4.37Å; F86-S470 PolarHBondContact O-OG 3.47Å; F86-V473 HydrophobicContact CB-CG2 3.97Å; F86-V473 HydrophobicContact CD1-CG1 4.02Å; F86-V473 HydrophobicContact CD2-CB 3.47Å; F86-V473 VanDerWaalsContact CD2-CB 3.47Å; F86-V473 HydrophobicContact CD2-CG1 3.56Å; F86-V473 HydrophobicContact CD2-CG2 3.79Å; F86-V473 HydrophobicContact CE1-CG1 4.06Å; F86-V473 HydrophobicContact CE2-CB 3.78Å; F86-V473 HydrophobicContact CE2-CG1 3.65Å; F86-V473 HydrophobicContact CG-CB 4.02Å; F86-V473 HydrophobicContact CG-CG1 3.78Å; F86-V473 HydrophobicContact CG-CG2 4Å; F86-V473 HydrophobicContact CZ-CG1 3.9Å; F86-L474 HydrophobicContact CE2-CD2 4.27Å; F86-L474 HydrophobicContact CE2-CG 4.28Å; F86-L474 HydrophobicContact CZ-CD2 4.46Å
87	A	93.8	Very high	92.3	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-69.7	-34.3	177	0	0	0	0	0	112.3	C83 L84 G89 N92 S369 I397 N401	C83-A87 PolarHBondContact O-N 2.95Å; C83-A87 VanDerWaalsContact O-N 3.07Å; L84-A87 PolarHBondContact O-N 3.5Å; A87-G89 PolarHBondContact O-N 2.67Å; A87-N92 PolarHBondContact O-ND2 3.36Å; A87-S369 CarbonylContact C-O 3.48Å; A87-S369 VanDerWaalsContact C-O 3.3Å; A87-S369 WeakPolarHBondContact CA-O 3.47Å; A87-S369 WeakPolarHBondContact CB-O 3.45Å; A87-I397 HydrophobicContact CB-CG2 3.79Å; A87-N401 PolarHBondContact O-OD1 3.13Å
88	V	90.1	Very high	92	Very high	9 Å²	9	10.4 Å²	10.4	6%	0.055	5%	0.049	C	C	.	.	S	Bend	trans	-85.4	61.7	-179.5	179.9	0	0	0	0	110.4	L84 G85 T404 M466	L84-V88 HydrophobicContact CD1-CG2 3.64Å; L84-V88 HydrophobicContact CG-CG2 4.18Å; L84-V88 VanDerWaalsContact O-CB 3.26Å; L84-V88 WeakPolarHBondContact O-CB 3.24Å; L84-V88 VanDerWaalsContact O-CG2 3.24Å; L84-V88 WeakPolarHBondContact O-CG2 3.31Å; L84-V88 PolarHBondContact O-N 3.14Å; G85-V88 CarbonylContact O-C 3.4Å; G85-V88 PolarHBondContact O-N 2.96Å; V88-T404 HydrophobicContact CG1-CG2 3.38Å; V88-T404 WeakPolarHBondContact CG1-OG1 3.37Å; V88-T404 WeakPolarHBondContact CG2-OG1 3.36Å; V88-M466 HydrophobicContact CG1-CE 3.81Å
89	G	87	Confident	91.6	Very high	6 Å²	6	10.9 Å²	10.9	6%	0.062	5%	0.051	C	C	.	.	S	Bend	trans	-89.3	179.9	178.6	0	0	0	0	0	114.2	A87 G91 N92 M466	A87-G89 PolarHBondContact O-N 2.67Å; G89-G91 PolarHBondContact O-N 3.43Å; G89-G91 VanDerWaalsContact O-N 3.07Å; G89-N92 PolarHBondContact O-N 3.37Å; G89-M466 VanDerWaalsContact O-CE 3.3Å; G89-M466 WeakPolarHBondContact O-CE 3.32Å
90	L	88.8	Confident	91.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.3	174.9	-63.4	177.5	0	0	0	113.2	N92 I93 W94 Y185 V188 V463 M466	L90-N92 PolarHBondContact O-N 3.06Å; L90-N92 VanDerWaalsContact O-N 3.08Å; L90-I93 PolarHBondContact O-N 3.39Å; L90-W94 VanDerWaalsContact C-CD1 3.48Å; L90-W94 PolarHBondContact O-N 3.49Å; L90-W94 VanDerWaalsContact O-N 3.12Å; L90-Y185 HydrophobicContact CD1-CD1 4.43Å; L90-Y185 HydrophobicContact CD1-CE1 3.92Å; L90-Y185 HydrophobicContact CG-CE1 4.12Å; L90-Y185 PolarHBondContact N-OH 3.33Å; L90-V188 HydrophobicContact CD1-CB 4.46Å; L90-V188 HydrophobicContact CD1-CG1 3.67Å; L90-V463 HydrophobicContact CD2-CB 4.4Å; L90-V463 HydrophobicContact CD2-CG1 3.73Å; L90-V463 WeakPolarHBondContact CD2-O 3.45Å; L90-M466 HydrophobicContact CD2-CB 4.34Å
91	G	86.1	Confident	91	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.021	5%	0.051	C	C	.	.	H	α-helix	trans	-45.8	-36.9	172.9	0	0	0	0	0	114.5	G89 R95 F96	G89-G91 PolarHBondContact O-N 3.43Å; G89-G91 VanDerWaalsContact O-N 3.07Å; G91-R95 WeakPolarHBondContact O-CA 2.9Å; G91-R95 VanDerWaalsContact O-CB 3.31Å; G91-R95 WeakPolarHBondContact O-CB 3.22Å; G91-R95 PolarHBondContact O-N 2.61Å; G91-F96 PolarHBondContact O-N 3.32Å
92	N	90.7	Very high	90.6	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-76.8	-26.5	-179.2	-68.2	-30.4	0	0	0	113.2	A87 G89 L90 P97 N401 T404 S405 S408	A87-N92 PolarHBondContact O-ND2 3.36Å; G89-N92 PolarHBondContact O-N 3.37Å; L90-N92 PolarHBondContact O-N 3.06Å; L90-N92 VanDerWaalsContact O-N 3.08Å; N92-P97 WeakPolarHBondContact O-CD 3.24Å; N92-N401 PolarHBondContact ND2-OD1 3.46Å; N92-N401 PolarHBondContact OD1-OD1 3.48Å; N92-T404 HydrophobicContact CB-CG2 4.27Å; N92-S405 PolarHBondContact OD1-OG 3.5Å; N92-S408 WeakPolarHBondContact O-CB 3.4Å
93	I	87.6	Confident	90.3	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.021	7%	0.072	C	C	.	.	H	α-helix	trans	-80	-46.6	176.1	-68.4	172.5	0	0	0	111.2	L90 P97 L438 Y442 T462 M466	L90-I93 PolarHBondContact O-N 3.39Å; I93-P97 WeakPolarHBondContact O-CD 3.46Å; I93-P97 VanDerWaalsContact O-CG 3.28Å; I93-P97 WeakPolarHBondContact O-CG 3.49Å; I93-L438 HydrophobicContact CG2-CD1 3.96Å; I93-Y442 HydrophobicContact CG2-CE2 4.26Å; I93-Y442 PolarHBondContact O-OH 3.42Å; I93-T462 HydrophobicContact CD1-CG2 4.26Å; I93-M466 HydrophobicContact CD1-CE 3.68Å; I93-M466 HydrophobicContact CD1-CG 4.49Å; I93-M466 HydrophobicContact CD1-SD 3.25Å; I93-M466 WeakPolarHBondContact CD1-SD 3.25Å; I93-M466 HydrophobicContact CG1-CE 3.74Å; I93-M466 HydrophobicContact CG1-SD 3.89Å
94	W	82.9	Confident	89.9	Confident	18 Å²	18	16.7 Å²	16.7	7%	0.068	8%	0.077	C	C	.	.	H	α-helix	trans	-106.2	-32.8	-167.1	70.5	-12.9	0	0	0	115.2	L90 Y98 V188 P435 L437 L438	L90-W94 VanDerWaalsContact C-CD1 3.48Å; L90-W94 PolarHBondContact O-N 3.49Å; L90-W94 VanDerWaalsContact O-N 3.12Å; W94-Y98 WeakPolarHBondContact O-CB 3.49Å; W94-V188 HydrophobicContact CH2-CG1 4.06Å; W94-V188 HydrophobicContact CH2-CG2 4.29Å; W94-V188 HydrophobicContact CZ3-CG1 4.14Å; W94-P435 HydrophobicContact CE3-CB 4.43Å; W94-P435 HydrophobicContact CH2-CB 4.39Å; W94-P435 HydrophobicContact CH2-CG 3.91Å; W94-P435 HydrophobicContact CZ3-CB 3.72Å; W94-P435 HydrophobicContact CZ3-CG 3.71Å; W94-L437 HydrophobicContact CB-CD2 4.46Å; W94-L437 WeakPolarHBondContact O-CD2 3.49Å; W94-L438 HydrophobicContact CB-CB 4.39Å; W94-L438 HydrophobicContact CE3-CB 3.72Å; W94-L438 HydrophobicContact CE3-CD2 3.87Å; W94-L438 HydrophobicContact CE3-CG 4.42Å; W94-L438 HydrophobicContact CZ3-CB 4.44Å; W94-L438 HydrophobicContact CZ3-CD2 4.18Å
95	R	87.8	Confident	89.7	Confident	66 Å²	66	15.9 Å²	15.9	25%	0.249	7%	0.073	C	C	.	.	H	α-helix	trans	-95.6	-45.8	-168.7	-170	179.8	179.5	171.2	6.9	109.4	G91 Y98 L99 Q365	G91-R95 WeakPolarHBondContact O-CA 2.9Å; G91-R95 VanDerWaalsContact O-CB 3.31Å; G91-R95 WeakPolarHBondContact O-CB 3.22Å; G91-R95 PolarHBondContact O-N 2.61Å; R95-Y98 PolarHBondContact O-N 2.76Å; R95-L99 HydrophobicContact CG-CD1 3.98Å; R95-L99 HydrophobicContact CG-CG 4.37Å; R95-L99 WeakPolarHBondContact O-CB 3.14Å; R95-L99 VanDerWaalsContact O-CG 3.28Å; R95-L99 WeakPolarHBondContact O-CG 3.17Å; R95-L99 PolarHBondContact O-N 3.27Å; R95-Q365 VanDerWaalsContact CG-OE1 3.24Å
96	F	91.9	Very high	89.7	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-50.6	178.2	175.7	-91.2	0	0	0	113.3	G91 Y98 L99 C100 F108 L109 F112 F345 Q365 S405 L406	G91-F96 PolarHBondContact O-N 3.32Å; F96-Y98 VanDerWaalsContact C-N 3.32Å; F96-Y98 PolarHBondContact O-N 3.3Å; F96-L99 PolarHBondContact O-N 2.85Å; F96-C100 WeakPolarHBondContact O-CB 3.2Å; F96-C100 PolarHBondContact O-N 2.86Å; F96-F108 HydrophobicContact CD2-CE1 4.45Å; F96-F108 HydrophobicContact CE2-CE1 4.38Å; F96-L109 HydrophobicContact CE1-CD2 3.97Å; F96-L109 HydrophobicContact CE2-CD2 4Å; F96-L109 HydrophobicContact CZ-CD2 3.23Å; F96-F112 HydrophobicContact CD2-CD2 4.37Å; F96-F112 HydrophobicContact CD2-CE1 4.4Å; F96-F112 HydrophobicContact CD2-CE2 4.08Å; F96-F112 HydrophobicContact CD2-CZ 4.06Å; F96-F112 AromaticContact CE2-CD1 3.75Å; F96-F112 HydrophobicContact CE2-CD1 3.75Å; F96-F112 HydrophobicContact CE2-CD2 4.07Å; F96-F112 AromaticContact CE2-CE1 3.65Å; F96-F112 HydrophobicContact CE2-CE1 3.65Å; F96-F112 HydrophobicContact CE2-CE2 4Å; F96-F112 AromaticContact CE2-CG 3.93Å; F96-F112 HydrophobicContact CE2-CG 3.93Å; F96-F112 AromaticContact CE2-CZ 3.76Å; F96-F112 HydrophobicContact CE2-CZ 3.76Å; F96-F112 HydrophobicContact CZ-CD1 4.45Å; F96-F112 HydrophobicContact CZ-CE1 4.35Å; F96-F345 HydrophobicContact CE1-CE2 4.22Å; F96-F345 HydrophobicContact CE1-CZ 4.26Å; F96-Q365 HydrophobicContact CD2-CG 4.2Å; F96-S405 WeakPolarHBondContact CD1-O 3.39Å; F96-S405 VanDerWaalsContact CE1-C 3.44Å; F96-S405 WeakPolarHBondContact CE1-O 3.17Å; F96-L406 HydrophobicContact CZ-CD2 4.45Å
97	P	90.5	Very high	89.6	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-39.4	-179.3	-27	40.5	0	0	0	112.2	N92 I93 C100 G101 V412 F413	N92-P97 WeakPolarHBondContact O-CD 3.24Å; I93-P97 WeakPolarHBondContact O-CD 3.46Å; I93-P97 VanDerWaalsContact O-CG 3.28Å; I93-P97 WeakPolarHBondContact O-CG 3.49Å; P97-C100 PolarHBondContact O-N 2.68Å; P97-G101 PolarHBondContact O-N 3.3Å; P97-V412 HydrophobicContact CB-CB 4.03Å; P97-V412 HydrophobicContact CB-CG1 3.7Å; P97-V412 HydrophobicContact CB-CG2 4.29Å; P97-V412 HydrophobicContact CG-CB 4.28Å; P97-V412 HydrophobicContact CG-CG1 4.42Å; P97-V412 HydrophobicContact CG-CG2 4.07Å; P97-F413 HydrophobicContact CB-CD2 4.45Å; P97-F413 HydrophobicContact CB-CE2 3.94Å; P97-F413 VanDerWaalsContact O-CE2 3.28Å; P97-F413 WeakPolarHBondContact O-CE2 3.12Å; P97-F413 VanDerWaalsContact O-CZ 3.3Å; P97-F413 WeakPolarHBondContact O-CZ 3.44Å
98	Y	87.4	Confident	89.6	Confident	42 Å²	42	16.5 Å²	16.5	17%	0.165	8%	0.079	C	C	.	.	H	α-helix	trans	-58.9	-52.4	173.9	172	-98.7	0	0	0	112	W94 R95 F96 C100 G101 R102 A431 T432	W94-Y98 WeakPolarHBondContact O-CB 3.49Å; R95-Y98 PolarHBondContact O-N 2.76Å; F96-Y98 VanDerWaalsContact C-N 3.32Å; F96-Y98 PolarHBondContact O-N 3.3Å; Y98-C100 VanDerWaalsContact C-N 3.3Å; Y98-C100 PolarHBondContact O-N 2.8Å; Y98-G101 PolarHBondContact O-N 2.88Å; Y98-R102 WeakPolarHBondContact O-CB 3.27Å; Y98-R102 PolarHBondContact O-N 2.94Å; Y98-R102 WeakPolarHBondContact OH-CD 3.47Å; Y98-R102 PolarHBondContact OH-NH1 2.88Å; Y98-A431 WeakPolarHBondContact CE2-O 3.38Å; Y98-T432 VanDerWaalsContact CD2-O 3.3Å; Y98-T432 WeakPolarHBondContact CD2-O 3.24Å
99	L	90	Very high	89.7	Confident	11 Å²	11	17 Å²	17	6%	0.058	8%	0.081	C	C	.	.	H	α-helix	trans	-61.9	-39.4	179.6	-70.8	177.5	0	0	0	111.6	R95 F96 N103 F108 D361 Q365	R95-L99 HydrophobicContact CG-CD1 3.98Å; R95-L99 HydrophobicContact CG-CG 4.37Å; R95-L99 WeakPolarHBondContact O-CB 3.14Å; R95-L99 VanDerWaalsContact O-CG 3.28Å; R95-L99 WeakPolarHBondContact O-CG 3.17Å; R95-L99 PolarHBondContact O-N 3.27Å; F96-L99 PolarHBondContact O-N 2.85Å; L99-N103 WeakPolarHBondContact O-CB 3.46Å; L99-N103 PolarHBondContact O-N 3.5Å; L99-N103 PolarHBondContact O-ND2 3.45Å; L99-F108 HydrophobicContact CB-CE1 4.05Å; L99-F108 HydrophobicContact CB-CE2 4.29Å; L99-F108 HydrophobicContact CB-CZ 3.74Å; L99-F108 HydrophobicContact CD1-CZ 4.36Å; L99-D361 HydrophobicContact CD2-CB 4.1Å; L99-Q365 HydrophobicContact CD1-CB 3.75Å; L99-Q365 HydrophobicContact CD1-CG 4.05Å
100	C	91.6	Very high	90	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.4	-46.8	175.9	-169.2	0	0	0	0	111.5	F96 P97 Y98 G104 G105 F108 F345	F96-C100 WeakPolarHBondContact O-CB 3.2Å; F96-C100 PolarHBondContact O-N 2.86Å; P97-C100 PolarHBondContact O-N 2.68Å; Y98-C100 VanDerWaalsContact C-N 3.3Å; Y98-C100 PolarHBondContact O-N 2.8Å; C100-G104 PolarHBondContact O-N 2.97Å; C100-G105 VanDerWaalsContact O-CA 3.25Å; C100-G105 WeakPolarHBondContact O-CA 3.37Å; C100-G105 PolarHBondContact O-N 2.98Å; C100-G105 VanDerWaalsContact SG-C 3.58Å; C100-G105 PolarHBondContact SG-O 3.38Å; C100-F108 HydrophobicContact CB-CD1 4Å; C100-F345 HydrophobicContact CB-CD2 4.27Å; C100-F345 HydrophobicContact CB-CE2 4.01Å; C100-F345 VanDerWaalsContact SG-CD2 3.58Å; C100-F345 WeakPolarHBondContact SG-CE2 3.48Å
101	G	88	Confident	90.3	Very high	10 Å²	10	21.7 Å²	21.7	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-62.6	-48	178.2	0	0	0	0	0	112.9	P97 Y98 N103 F344	P97-G101 PolarHBondContact O-N 3.3Å; Y98-G101 PolarHBondContact O-N 2.88Å; G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 2.83Å; G101-F344 VanDerWaalsContact CA-CE1 3.48Å
102	R	87.6	Confident	90.6	Very high	141 Å²	141	21.7 Å²	21.7	53%	0.532	10%	0.103	S	C	.	.	H	α-helix	trans	-63.8	-36.5	179.8	176.4	173	164.2	166.9	-3.4	113	Y98	Y98-R102 WeakPolarHBondContact O-CB 3.27Å; Y98-R102 PolarHBondContact O-N 2.94Å; Y98-R102 WeakPolarHBondContact OH-CD 3.47Å; Y98-R102 PolarHBondContact OH-NH1 2.88Å
103	N	90.8	Very high	90.8	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	23.6	-171.6	-66.6	-36.3	0	0	0	114.3	L99 G101 F108 V358 D361	L99-N103 WeakPolarHBondContact O-CB 3.46Å; L99-N103 PolarHBondContact O-N 3.5Å; L99-N103 PolarHBondContact O-ND2 3.45Å; G101-N103 VanDerWaalsContact C-N 3.34Å; G101-N103 PolarHBondContact O-N 2.83Å; N103-F108 HydrophobicContact CB-CB 3.88Å; N103-F108 HydrophobicContact CB-CD2 3.46Å; N103-F108 VanDerWaalsContact CB-CD2 3.46Å; N103-F108 HydrophobicContact CB-CE2 4.25Å; N103-F108 HydrophobicContact CB-CG 3.92Å; N103-V358 HydrophobicContact CB-CB 4.46Å; N103-V358 HydrophobicContact CB-CG1 4.15Å; N103-V358 HydrophobicContact CB-CG2 3.93Å; N103-D361 WeakPolarHBondContact ND2-CB 3.4Å; N103-D361 PolarHBondContact ND2-OD2 3.19Å
104	G	90.4	Very high	91	Very high	10 Å²	10	28.8 Å²	28.8	10%	0.103	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	31.1	170	0	0	0	0	0	115.4	C100 A106 A107 D349	C100-G104 PolarHBondContact O-N 2.97Å; G104-A106 PolarHBondContact O-N 3.01Å; G104-A107 WeakPolarHBondContact O-CB 3.1Å; G104-A107 PolarHBondContact O-N 3.22Å; G104-D349 PolarHBondContact O-N 3.49Å
105	G	91.3	Very high	91.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-126.7	173.4	0	0	0	0	0	112	C100 A107 F108 L109 F345	C100-G105 VanDerWaalsContact O-CA 3.25Å; C100-G105 WeakPolarHBondContact O-CA 3.37Å; C100-G105 PolarHBondContact O-N 2.98Å; C100-G105 VanDerWaalsContact SG-C 3.58Å; C100-G105 PolarHBondContact SG-O 3.38Å; G105-A107 PolarHBondContact O-N 3.09Å; G105-A107 VanDerWaalsContact O-N 3.08Å; G105-F108 WeakPolarHBondContact O-CB 3.47Å; G105-F108 PolarHBondContact O-N 2.98Å; G105-L109 PolarHBondContact O-N 3.37Å; G105-F345 CarbonylContact C-O 3.41Å; G105-F345 WeakPolarHBondContact CA-O 3.44Å
106	A	93.2	Very high	91.7	Very high	20 Å²	20	25 Å²	25	17%	0.165	13%	0.127	C	C	.	.	H	α-helix	trans	-61.1	-19.6	-178.1	0	0	0	0	0	114.9	G104 F108 L109 L110 F345 I346 P348	G104-A106 PolarHBondContact O-N 3.01Å; A106-F108 VanDerWaalsContact C-N 3.34Å; A106-L109 HydrophobicContact CB-CD1 4.24Å; A106-L109 WeakPolarHBondContact O-CB 3.04Å; A106-L109 PolarHBondContact O-N 3.34Å; A106-L110 PolarHBondContact O-N 3.03Å; A106-L110 VanDerWaalsContact O-N 3.13Å; A106-F345 PolarHBondContact N-O 2.96Å; A106-F345 VanDerWaalsContact N-O 3.11Å; A106-I346 WeakPolarHBondContact CB-O 3.44Å; A106-P348 HydrophobicContact CB-CB 4.09Å
107	A	94.1	Very high	91.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-43.3	172.4	0	0	0	0	0	111	G104 G105 L109 L110 V111 P348 D349 F350 L353	G104-A107 WeakPolarHBondContact O-CB 3.1Å; G104-A107 PolarHBondContact O-N 3.22Å; G105-A107 PolarHBondContact O-N 3.09Å; G105-A107 VanDerWaalsContact O-N 3.08Å; A107-L109 VanDerWaalsContact C-N 3.34Å; A107-L109 PolarHBondContact O-N 3.22Å; A107-L110 PolarHBondContact O-N 3.49Å; A107-V111 PolarHBondContact O-N 2.92Å; A107-P348 HydrophobicContact CB-CB 4.13Å; A107-D349 WeakPolarHBondContact CB-O 3.28Å; A107-F350 HydrophobicContact CB-CD1 4.5Å; A107-L353 HydrophobicContact CB-CD2 4Å; A107-L353 HydrophobicContact CB-CG 4.16Å
108	F	93.9	Very high	91.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-39.3	172.7	178.6	-96.3	0	0	0	111.8	F96 L99 C100 N103 G105 A106 L110 V111 F112 V358 D361 A362	F96-F108 HydrophobicContact CD2-CE1 4.45Å; F96-F108 HydrophobicContact CE2-CE1 4.38Å; L99-F108 HydrophobicContact CB-CE1 4.05Å; L99-F108 HydrophobicContact CB-CE2 4.29Å; L99-F108 HydrophobicContact CB-CZ 3.74Å; L99-F108 HydrophobicContact CD1-CZ 4.36Å; C100-F108 HydrophobicContact CB-CD1 4Å; N103-F108 HydrophobicContact CB-CB 3.88Å; N103-F108 HydrophobicContact CB-CD2 3.46Å; N103-F108 VanDerWaalsContact CB-CD2 3.46Å; N103-F108 HydrophobicContact CB-CE2 4.25Å; N103-F108 HydrophobicContact CB-CG 3.92Å; G105-F108 WeakPolarHBondContact O-CB 3.47Å; G105-F108 PolarHBondContact O-N 2.98Å; A106-F108 VanDerWaalsContact C-N 3.34Å; F108-L110 VanDerWaalsContact C-N 3.29Å; F108-L110 PolarHBondContact O-N 3.13Å; F108-V111 PolarHBondContact O-N 3.4Å; F108-V111 VanDerWaalsContact O-N 3.15Å; F108-F112 HydrophobicContact CD1-CB 4.47Å; F108-F112 HydrophobicContact CE1-CB 4.27Å; F108-F112 WeakPolarHBondContact O-CB 3.22Å; F108-F112 PolarHBondContact O-N 2.77Å; F108-V358 HydrophobicContact CD2-CG1 4.2Å; F108-D361 HydrophobicContact CE2-CB 4.11Å; F108-A362 HydrophobicContact CD2-CB 4.3Å; F108-A362 HydrophobicContact CE2-CB 3.68Å; F108-A362 HydrophobicContact CZ-CB 4.09Å
109	L	92.5	Very high	91.6	Very high	20 Å²	20	27.6 Å²	27.6	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-41.6	176.8	-61.6	-179.4	0	0	0	112.1	F96 G105 A106 A107 F112 L113 F345 L406	F96-L109 HydrophobicContact CE1-CD2 3.97Å; F96-L109 HydrophobicContact CE2-CD2 4Å; F96-L109 HydrophobicContact CZ-CD2 3.23Å; G105-L109 PolarHBondContact O-N 3.37Å; A106-L109 HydrophobicContact CB-CD1 4.24Å; A106-L109 WeakPolarHBondContact O-CB 3.04Å; A106-L109 PolarHBondContact O-N 3.34Å; A107-L109 VanDerWaalsContact C-N 3.34Å; A107-L109 PolarHBondContact O-N 3.22Å; L109-F112 PolarHBondContact O-N 3.36Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-F345 HydrophobicContact CD1-CE2 4.33Å; L109-F345 HydrophobicContact CD1-CZ 4.15Å; L109-F345 HydrophobicContact CD2-CE2 4.3Å; L109-F345 HydrophobicContact CD2-CZ 4.4Å; L109-L406 HydrophobicContact CD1-CD2 3.87Å; L109-L406 HydrophobicContact CD2-CD2 3.9Å
110	L	93.4	Very high	91.6	Very high	100 Å²	100	27.1 Å²	27.1	52%	0.524	14%	0.142	S	C	.	.	H	α-helix	trans	-62.8	-43	177.1	-66.9	173.9	0	0	0	111.7	A106 A107 F108 L114 F350	A106-L110 PolarHBondContact O-N 3.03Å; A106-L110 VanDerWaalsContact O-N 3.13Å; A107-L110 PolarHBondContact O-N 3.49Å; F108-L110 VanDerWaalsContact C-N 3.29Å; F108-L110 PolarHBondContact O-N 3.13Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 PolarHBondContact O-N 3.15Å; L110-F350 HydrophobicContact CD1-CE1 4.03Å
111	V	93.6	Very high	91.7	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-66.1	-45.8	176.1	-179.6	0	0	0	0	110.8	A107 F108 L113 L114 V115 L353 W359 A362	A107-V111 PolarHBondContact O-N 2.92Å; F108-V111 PolarHBondContact O-N 3.4Å; F108-V111 VanDerWaalsContact O-N 3.15Å; V111-L113 PolarHBondContact O-N 3.05Å; V111-L114 WeakPolarHBondContact O-CB 3.07Å; V111-L114 PolarHBondContact O-N 3.43Å; V111-V115 HydrophobicContact CG1-CG2 4.12Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.02Å; V111-V115 PolarHBondContact O-N 3.47Å; V111-L353 HydrophobicContact CG2-CD2 3.44Å; V111-L353 VanDerWaalsContact CG2-CD2 3.44Å; V111-W359 HydrophobicContact CG1-CD2 3.78Å; V111-W359 HydrophobicContact CG1-CE3 3.48Å; V111-W359 VanDerWaalsContact CG1-CE3 3.48Å; V111-W359 HydrophobicContact CG1-CG 4.34Å; V111-W359 HydrophobicContact CG1-CH2 4.39Å; V111-W359 HydrophobicContact CG1-CZ3 3.82Å; V111-W359 HydrophobicContact CG2-CD2 4.42Å; V111-W359 HydrophobicContact CG2-CH2 4.2Å; V111-W359 HydrophobicContact CG2-CZ2 4.06Å; V111-W359 HydrophobicContact CG2-CZ3 4.44Å; V111-A362 HydrophobicContact CB-CB 4.31Å; V111-A362 HydrophobicContact CG1-CB 3.63Å
112	F	93.5	Very high	91.8	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-55.7	-48.9	176.2	172	-100.7	0	0	0	111.7	F96 F108 L109 L114 V115 I116 Q365 V366 I402	F96-F112 HydrophobicContact CD2-CD2 4.37Å; F96-F112 HydrophobicContact CD2-CE1 4.4Å; F96-F112 HydrophobicContact CD2-CE2 4.08Å; F96-F112 HydrophobicContact CD2-CZ 4.06Å; F96-F112 AromaticContact CE2-CD1 3.75Å; F96-F112 HydrophobicContact CE2-CD1 3.75Å; F96-F112 HydrophobicContact CE2-CD2 4.07Å; F96-F112 AromaticContact CE2-CE1 3.65Å; F96-F112 HydrophobicContact CE2-CE1 3.65Å; F96-F112 HydrophobicContact CE2-CE2 4Å; F96-F112 AromaticContact CE2-CG 3.93Å; F96-F112 HydrophobicContact CE2-CG 3.93Å; F96-F112 AromaticContact CE2-CZ 3.76Å; F96-F112 HydrophobicContact CE2-CZ 3.76Å; F96-F112 HydrophobicContact CZ-CD1 4.45Å; F96-F112 HydrophobicContact CZ-CE1 4.35Å; F108-F112 HydrophobicContact CD1-CB 4.47Å; F108-F112 HydrophobicContact CE1-CB 4.27Å; F108-F112 WeakPolarHBondContact O-CB 3.22Å; F108-F112 PolarHBondContact O-N 2.77Å; L109-F112 PolarHBondContact O-N 3.36Å; F112-L114 PolarHBondContact O-N 3.33Å; F112-V115 PolarHBondContact O-N 3.25Å; F112-I116 HydrophobicContact CD1-CD1 3.98Å; F112-I116 HydrophobicContact CE1-CD1 3.37Å; F112-I116 HydrophobicContact CE1-CG1 4.38Å; F112-I116 HydrophobicContact CE2-CD1 3.96Å; F112-I116 HydrophobicContact CE2-CG1 4.38Å; F112-I116 HydrophobicContact CZ-CD1 3.38Å; F112-I116 HydrophobicContact CZ-CG1 4.27Å; F112-I116 WeakPolarHBondContact O-CG1 3.46Å; F112-I116 PolarHBondContact O-N 3.04Å; F112-Q365 HydrophobicContact CD2-CG 4.28Å; F112-Q365 HydrophobicContact CE2-CG 3.97Å; F112-V366 HydrophobicContact CD2-CG2 3.51Å; F112-V366 HydrophobicContact CE2-CG2 3.7Å; F112-V366 HydrophobicContact CG-CG2 4.34Å; F112-I402 HydrophobicContact CE1-CG1 4.43Å
113	L	94.7	Very high	92	Very high	68 Å²	68	20.9 Å²	20.9	36%	0.356	12%	0.118	S	C	.	.	H	α-helix	trans	-61.9	-41.9	177	-70	174.2	0	0	0	112.1	L109 V111 I116 V117 I402	L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 WeakPolarHBondContact O-CG 3.35Å; L109-L113 PolarHBondContact O-N 3.34Å; V111-L113 PolarHBondContact O-N 3.05Å; L113-I116 PolarHBondContact O-N 2.98Å; L113-V117 WeakPolarHBondContact O-CG2 3.36Å; L113-V117 PolarHBondContact O-N 3.01Å; L113-V117 VanDerWaalsContact O-N 3.15Å; L113-I402 HydrophobicContact CD2-CD1 3.72Å; L113-I402 HydrophobicContact CD2-CG1 3.93Å; L113-I402 HydrophobicContact CD2-CG2 3.78Å
114	L	92.6	Very high	92.2	Very high	85 Å²	85	20.7 Å²	20.7	45%	0.445	12%	0.117	S	C	.	.	H	α-helix	trans	-62.1	-47.6	176.1	-178	65.8	0	0	0	111	L110 V111 F112 I116 V117 I118 W359	L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 PolarHBondContact O-N 3.15Å; V111-L114 WeakPolarHBondContact O-CB 3.07Å; V111-L114 PolarHBondContact O-N 3.43Å; F112-L114 PolarHBondContact O-N 3.33Å; L114-I116 VanDerWaalsContact C-N 3.35Å; L114-I116 PolarHBondContact O-N 3.35Å; L114-V117 PolarHBondContact O-N 3.09Å; L114-I118 HydrophobicContact CD1-CG2 4.23Å; L114-I118 HydrophobicContact CG-CD1 4.45Å; L114-I118 WeakPolarHBondContact O-CG1 3.05Å; L114-I118 WeakPolarHBondContact O-CG2 3.36Å; L114-I118 PolarHBondContact O-N 3.04Å; L114-W359 HydrophobicContact CD2-CH2 4.12Å; L114-W359 HydrophobicContact CD2-CZ3 3.97Å
115	V	91.4	Very high	92.3	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.03	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-35.6	180	179.5	0	0	0	0	111.8	V111 F112 G119 G120 A363 V366 V593	V111-V115 HydrophobicContact CG1-CG2 4.12Å; V111-V115 VanDerWaalsContact O-CG2 3.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.02Å; V111-V115 PolarHBondContact O-N 3.47Å; F112-V115 PolarHBondContact O-N 3.25Å; V115-G119 WeakPolarHBondContact O-CA 3.37Å; V115-G119 PolarHBondContact O-N 3.36Å; V115-G120 PolarHBondContact O-N 2.75Å; V115-A363 HydrophobicContact CG1-CB 3.87Å; V115-V366 HydrophobicContact CB-CG2 4Å; V115-V366 HydrophobicContact CG1-CB 3.99Å; V115-V366 HydrophobicContact CG1-CG1 4.19Å; V115-V366 HydrophobicContact CG1-CG2 3.9Å; V115-V593 HydrophobicContact CG1-CG1 4.36Å
116	I	93	Very high	92.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-57.3	-51.4	170.5	-76.9	-174.6	0	0	0	110.6	F112 L113 L114 G120 V121 V366 M370 T398 I402	F112-I116 HydrophobicContact CD1-CD1 3.98Å; F112-I116 HydrophobicContact CE1-CD1 3.37Å; F112-I116 HydrophobicContact CE1-CG1 4.38Å; F112-I116 HydrophobicContact CE2-CD1 3.96Å; F112-I116 HydrophobicContact CE2-CG1 4.38Å; F112-I116 HydrophobicContact CZ-CD1 3.38Å; F112-I116 HydrophobicContact CZ-CG1 4.27Å; F112-I116 WeakPolarHBondContact O-CG1 3.46Å; F112-I116 PolarHBondContact O-N 3.04Å; L113-I116 PolarHBondContact O-N 2.98Å; L114-I116 VanDerWaalsContact C-N 3.35Å; L114-I116 PolarHBondContact O-N 3.35Å; I116-G120 CarbonylContact O-C 3.5Å; I116-G120 WeakPolarHBondContact O-CA 3.48Å; I116-G120 PolarHBondContact O-N 3.05Å; I116-V121 HydrophobicContact CG2-CG2 3.97Å; I116-V121 PolarHBondContact O-N 3.15Å; I116-V366 HydrophobicContact CB-CG1 4.47Å; I116-V366 HydrophobicContact CB-CG2 4.44Å; I116-V366 HydrophobicContact CD1-CG2 4.37Å; I116-V366 HydrophobicContact CG1-CB 4.22Å; I116-V366 HydrophobicContact CG1-CG1 3.81Å; I116-V366 HydrophobicContact CG1-CG2 3.44Å; I116-V366 VanDerWaalsContact CG1-CG2 3.44Å; I116-M370 HydrophobicContact CG1-SD 4.47Å; I116-M370 HydrophobicContact CG2-SD 4.28Å; I116-T398 HydrophobicContact CG2-CG2 3.41Å; I116-T398 VanDerWaalsContact CG2-CG2 3.41Å; I116-I402 HydrophobicContact CD1-CD1 4.18Å; I116-I402 HydrophobicContact CD1-CG1 3.62Å; I116-I402 HydrophobicContact CG2-CD1 4.35Å
117	V	90.8	Very high	92.4	Very high	56 Å²	56	19.8 Å²	19.8	34%	0.339	11%	0.107	S	C	.	.	I	π-helix	trans	-68.1	-39.6	-173.7	172.2	0	0	0	0	111.9	L113 L114 F572 L573	L113-V117 WeakPolarHBondContact O-CG2 3.36Å; L113-V117 PolarHBondContact O-N 3.01Å; L113-V117 VanDerWaalsContact O-N 3.15Å; L114-V117 PolarHBondContact O-N 3.09Å; V117-F572 HydrophobicContact CG1-CE1 4.03Å; V117-L573 HydrophobicContact CG1-CD2 3.93Å
118	I	87.9	Confident	92.5	Very high	42 Å²	42	19.8 Å²	19.8	22%	0.215	11%	0.107	C	C	.	.	I	π-helix	trans	-85.4	-26.3	-177.5	70.9	-173.9	0	0	0	113.5	L114 L590 V593	L114-I118 HydrophobicContact CD1-CG2 4.23Å; L114-I118 HydrophobicContact CG-CD1 4.45Å; L114-I118 WeakPolarHBondContact O-CG1 3.05Å; L114-I118 WeakPolarHBondContact O-CG2 3.36Å; L114-I118 PolarHBondContact O-N 3.04Å; I118-L590 WeakPolarHBondContact O-CD2 3.43Å; I118-V593 HydrophobicContact CD1-CG2 4.03Å; I118-V593 HydrophobicContact CG1-CG2 4.29Å
119	G	88.5	Confident	92.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-118.1	-64.3	-166.9	0	0	0	0	0	112.5	V115 P122 M123 L590	V115-G119 WeakPolarHBondContact O-CA 3.37Å; V115-G119 PolarHBondContact O-N 3.36Å; G119-P122 WeakPolarHBondContact O-CD 3.46Å; G119-M123 WeakPolarHBondContact O-CB 3.21Å; G119-M123 WeakPolarHBondContact O-CG 3.46Å; G119-M123 PolarHBondContact O-N 3.29Å; G119-L590 VanDerWaalsContact CA-CD2 3.49Å; G119-L590 WeakPolarHBondContact O-CD2 3.47Å
120	G	91	Very high	92.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	I	π-helix	trans	-65.3	-48.6	-173.6	0	0	0	0	0	114.3	V115 I116 M123 A124 M370	V115-G120 PolarHBondContact O-N 2.75Å; I116-G120 CarbonylContact O-C 3.5Å; I116-G120 WeakPolarHBondContact O-CA 3.48Å; I116-G120 PolarHBondContact O-N 3.05Å; G120-M123 PolarHBondContact O-N 2.78Å; G120-A124 WeakPolarHBondContact O-CB 3.16Å; G120-A124 PolarHBondContact O-N 3.44Å; G120-M370 WeakPolarHBondContact CA-SD 3.18Å
121	V	92.7	Very high	92.5	Very high	14 Å²	14	14.4 Å²	14.4	9%	0.085	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-51.5	-179.1	170.2	0	0	0	0	112	I116 M123 A124 F125 T394 T398 L573	I116-V121 HydrophobicContact CG2-CG2 3.97Å; I116-V121 PolarHBondContact O-N 3.15Å; V121-M123 VanDerWaalsContact C-N 3.31Å; V121-M123 PolarHBondContact O-N 3.38Å; V121-A124 PolarHBondContact O-N 3.1Å; V121-F125 WeakPolarHBondContact O-CB 3.5Å; V121-F125 PolarHBondContact O-N 3.48Å; V121-T394 HydrophobicContact CG1-CG2 4.1Å; V121-T398 HydrophobicContact CG2-CG2 3.58Å; V121-T398 WeakPolarHBondContact CG2-OG1 3.31Å; V121-L573 HydrophobicContact CG1-CB 4.37Å; V121-L573 HydrophobicContact CG1-CD2 4.44Å
122	P	91.5	Very high	92.5	Very high	6 Å²	6	14.3 Å²	14.3	4%	0.039	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-37.7	177.4	-24	33.1	0	0	0	113.5	G119 F125 L126 L573 V586 L590	G119-P122 WeakPolarHBondContact O-CD 3.46Å; P122-F125 PolarHBondContact O-N 2.78Å; P122-L126 WeakPolarHBondContact O-CB 3.2Å; P122-L126 PolarHBondContact O-N 3.03Å; P122-L573 WeakPolarHBondContact CG-O 3.26Å; P122-V586 HydrophobicContact CB-CG1 4.11Å; P122-L590 HydrophobicContact CB-CD1 3.88Å; P122-L590 HydrophobicContact CB-CD2 4.02Å; P122-L590 HydrophobicContact CB-CG 4.4Å; P122-L590 HydrophobicContact CG-CD2 4.23Å
123	M	91.3	Very high	92.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.9	-47.5	178.7	-78.1	-59.4	-53	0	0	112.4	G119 G120 V121 F125 L126 E127 F367 V372 C538 L542 L590	G119-M123 WeakPolarHBondContact O-CB 3.21Å; G119-M123 WeakPolarHBondContact O-CG 3.46Å; G119-M123 PolarHBondContact O-N 3.29Å; G120-M123 PolarHBondContact O-N 2.78Å; V121-M123 VanDerWaalsContact C-N 3.31Å; V121-M123 PolarHBondContact O-N 3.38Å; M123-F125 VanDerWaalsContact C-N 3.28Å; M123-F125 PolarHBondContact O-N 2.97Å; M123-L126 WeakPolarHBondContact O-CB 3.35Å; M123-L126 PolarHBondContact O-N 2.78Å; M123-L126 VanDerWaalsContact O-N 3.14Å; M123-E127 PolarHBondContact O-N 3.25Å; M123-F367 HydrophobicContact CB-CE1 4.42Å; M123-F367 HydrophobicContact CG-CE1 3.75Å; M123-F367 HydrophobicContact CG-CZ 4.15Å; M123-V372 HydrophobicContact CB-CB 4.48Å; M123-V372 HydrophobicContact CB-CG1 4.23Å; M123-C538 HydrophobicContact CE-CB 3.67Å; M123-L542 HydrophobicContact CE-CG 4.32Å; M123-L542 HydrophobicContact SD-CD1 3.57Å; M123-L542 VanDerWaalsContact SD-CD1 3.57Å; M123-L542 HydrophobicContact SD-CD2 3.68Å; M123-L542 HydrophobicContact SD-CG 3.58Å; M123-L542 VanDerWaalsContact SD-CG 3.58Å; M123-L590 HydrophobicContact CG-CD1 4.24Å; M123-L590 HydrophobicContact CG-CD2 4.12Å; M123-L590 HydrophobicContact SD-CD1 3.94Å
124	A	94.2	Very high	92.2	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-41.7	175.3	0	0	0	0	0	111.1	G120 V121 L126 E127 L128 M370 V372 L377 T394	G120-A124 WeakPolarHBondContact O-CB 3.16Å; G120-A124 PolarHBondContact O-N 3.44Å; V121-A124 PolarHBondContact O-N 3.1Å; A124-L126 VanDerWaalsContact C-N 3.3Å; A124-L126 PolarHBondContact O-N 3.27Å; A124-E127 PolarHBondContact O-N 3.05Å; A124-L128 VanDerWaalsContact O-CB 3.28Å; A124-L128 WeakPolarHBondContact O-CB 3.42Å; A124-L128 WeakPolarHBondContact O-CG 2.93Å; A124-L128 PolarHBondContact O-N 3.18Å; A124-M370 HydrophobicContact CB-CE 3.77Å; A124-V372 HydrophobicContact CB-CG1 4Å; A124-L377 HydrophobicContact CB-CD1 3.93Å; A124-T394 HydrophobicContact CB-CG2 4.29Å
125	F	93.1	Very high	92.1	Very high	4 Å²	4	11 Å²	11	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-63.4	-36.3	176.9	-169.4	-118.3	0	0	0	112.8	V121 P122 M123 G129 I390 L391 T394 Y558 L562 Y575	V121-F125 WeakPolarHBondContact O-CB 3.5Å; V121-F125 PolarHBondContact O-N 3.48Å; P122-F125 PolarHBondContact O-N 2.78Å; M123-F125 VanDerWaalsContact C-N 3.28Å; M123-F125 PolarHBondContact O-N 2.97Å; F125-G129 PolarHBondContact O-N 3.48Å; F125-G129 VanDerWaalsContact O-N 3.15Å; F125-I390 HydrophobicContact CD2-CD1 4.24Å; F125-I390 HydrophobicContact CD2-CG1 4.43Å; F125-I390 HydrophobicContact CE2-CD1 3.79Å; F125-I390 HydrophobicContact CE2-CG1 3.78Å; F125-I390 HydrophobicContact CZ-CD1 4.32Å; F125-L391 HydrophobicContact CD2-CD1 4.13Å; F125-L391 HydrophobicContact CE1-CD1 4.4Å; F125-L391 HydrophobicContact CE2-CB 3.98Å; F125-L391 HydrophobicContact CE2-CD1 3.52Å; F125-L391 HydrophobicContact CE2-CG 4.41Å; F125-L391 HydrophobicContact CZ-CD1 3.68Å; F125-T394 HydrophobicContact CB-CG2 4.28Å; F125-Y558 AromaticContact CD1-CE1 3.9Å; F125-Y558 HydrophobicContact CD1-CE1 3.9Å; F125-Y558 AromaticContact CE1-CD1 3.81Å; F125-Y558 HydrophobicContact CE1-CD1 3.81Å; F125-Y558 AromaticContact CE1-CE1 3.31Å; F125-Y558 HydrophobicContact CE1-CE1 3.31Å; F125-Y558 HydrophobicContact CE2-CE1 4.35Å; F125-Y558 AromaticContact CZ-CD1 3.99Å; F125-Y558 HydrophobicContact CZ-CD1 3.99Å; F125-Y558 AromaticContact CZ-CE1 3.58Å; F125-Y558 HydrophobicContact CZ-CE1 3.58Å; F125-Y558 PolarHBondContact O-OH 3.14Å; F125-L562 HydrophobicContact CE2-CD1 4.38Å; F125-L562 HydrophobicContact CZ-CD1 4Å; F125-Y575 HydrophobicContact CE1-CD2 4.01Å; F125-Y575 HydrophobicContact CE1-CG 4.36Å; F125-Y575 AromaticContact CZ-CD2 3.91Å; F125-Y575 HydrophobicContact CZ-CD2 3.91Å; F125-Y575 HydrophobicContact CZ-CE2 4.3Å
126	L	92.2	Very high	92	Very high	8 Å²	8	12.8 Å²	12.8	4%	0.042	7%	0.073	C	C	.	.	H	α-helix	trans	-64.2	-54.3	175.3	-179.6	153.5	0	0	0	111.2	P122 M123 A124 L128 G129 L130 E541 L542 V545 Y554 Y558	P122-L126 WeakPolarHBondContact O-CB 3.2Å; P122-L126 PolarHBondContact O-N 3.03Å; M123-L126 WeakPolarHBondContact O-CB 3.35Å; M123-L126 PolarHBondContact O-N 2.78Å; M123-L126 VanDerWaalsContact O-N 3.14Å; A124-L126 VanDerWaalsContact C-N 3.3Å; A124-L126 PolarHBondContact O-N 3.27Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.08Å; L126-G129 PolarHBondContact O-N 3.04Å; L126-L130 HydrophobicContact CD2-CD1 3.6Å; L126-L130 HydrophobicContact CD2-CG 4.23Å; L126-L130 HydrophobicContact CG-CD1 4.42Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.91Å; L126-E541 VanDerWaalsContact CD2-CD 3.47Å; L126-E541 HydrophobicContact CD2-CG 3.69Å; L126-E541 WeakPolarHBondContact CD2-OE1 3.26Å; L126-L542 HydrophobicContact CD1-CD2 3.74Å; L126-V545 HydrophobicContact CD1-CG1 4.34Å; L126-V545 HydrophobicContact CD2-CG2 4.4Å; L126-Y554 WeakPolarHBondContact CA-OH 3.48Å; L126-Y554 HydrophobicContact CG-CE2 4.32Å; L126-Y558 WeakPolarHBondContact CA-OH 3.43Å; L126-Y558 PolarHBondContact O-OH 3.42Å
127	E	94.3	Very high	91.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.2	-42.3	-179.2	-82.9	-175.3	-132.6	0	0	112.4	M123 A124 G129 L130 G131 V372 G373 L377 E541	M123-E127 PolarHBondContact O-N 3.25Å; A124-E127 PolarHBondContact O-N 3.05Å; E127-G129 VanDerWaalsContact C-N 3.34Å; E127-G129 PolarHBondContact O-N 3.35Å; E127-L130 PolarHBondContact O-N 2.83Å; E127-G131 PolarHBondContact O-N 2.97Å; E127-V372 VanDerWaalsContact OE1-CA 3.31Å; E127-V372 WeakPolarHBondContact OE1-CA 3.47Å; E127-V372 WeakPolarHBondContact OE1-CB 3.43Å; E127-G373 PolarHBondContact OE1-N 3.46Å; E127-L377 HydrophobicContact CB-CB 4.06Å; E127-E541 WeakPolarHBondContact CG-OE1 3.37Å
128	L	95.9	Very high	91.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61	-43.2	178.1	-73.9	177.8	0	0	0	111.4	F79 A124 L126 Q132 L377 S381 I390 T394 I397	F79-L128 HydrophobicContact CE2-CD2 4.45Å; F79-L128 HydrophobicContact CZ-CD2 3.85Å; A124-L128 VanDerWaalsContact O-CB 3.28Å; A124-L128 WeakPolarHBondContact O-CB 3.42Å; A124-L128 WeakPolarHBondContact O-CG 2.93Å; A124-L128 PolarHBondContact O-N 3.18Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 3.08Å; L128-Q132 VanDerWaalsContact O-CB 3.27Å; L128-Q132 WeakPolarHBondContact O-CB 3.44Å; L128-Q132 PolarHBondContact O-N 3.35Å; L128-L377 HydrophobicContact CD2-CB 4Å; L128-L377 HydrophobicContact CD2-CD2 4.28Å; L128-L377 HydrophobicContact CG-CB 4.38Å; L128-S381 WeakPolarHBondContact O-CB 3.47Å; L128-S381 PolarHBondContact O-OG 3.41Å; L128-I390 HydrophobicContact CB-CB 4.26Å; L128-I390 HydrophobicContact CB-CD1 4.37Å; L128-I390 HydrophobicContact CB-CG2 4.27Å; L128-T394 WeakPolarHBondContact CD1-OG1 3.37Å; L128-I397 HydrophobicContact CD1-CD1 4.08Å
129	G	93.3	Very high	91.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-72.9	-37.3	178.1	0	0	0	0	0	113.6	F125 L126 E127 G131 Q132 Y133 I390 Y558	F125-G129 PolarHBondContact O-N 3.48Å; F125-G129 VanDerWaalsContact O-N 3.15Å; L126-G129 PolarHBondContact O-N 3.04Å; E127-G129 VanDerWaalsContact C-N 3.34Å; E127-G129 PolarHBondContact O-N 3.35Å; G129-G131 PolarHBondContact O-N 2.9Å; G129-Q132 PolarHBondContact O-N 3.42Å; G129-Y133 VanDerWaalsContact O-CB 3.26Å; G129-Y133 WeakPolarHBondContact O-CB 3.46Å; G129-Y133 PolarHBondContact O-N 3.21Å; G129-I390 VanDerWaalsContact CA-CD1 3.46Å; G129-Y558 VanDerWaalsContact CA-OH 3.26Å; G129-Y558 WeakPolarHBondContact CA-OH 3.36Å
130	L	92.4	Very high	91.4	Very high	6 Å²	6	10.2 Å²	10.2	3%	0.031	6%	0.057	C	C	.	.	H	α-helix	trans	-61.3	-45.2	174.6	-71	-177.3	0	0	0	112.1	L126 E127 S134 L141 L145 E541 V545 Y554	L126-L130 HydrophobicContact CD2-CD1 3.6Å; L126-L130 HydrophobicContact CD2-CG 4.23Å; L126-L130 HydrophobicContact CG-CD1 4.42Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.91Å; E127-L130 PolarHBondContact O-N 2.83Å; L130-S134 VanDerWaalsContact O-CB 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.48Å; L130-S134 PolarHBondContact O-N 3.45Å; L130-S134 VanDerWaalsContact O-N 3.08Å; L130-S134 PolarHBondContact O-OG 3.33Å; L130-L141 HydrophobicContact CB-CD1 4.29Å; L130-L141 HydrophobicContact CB-CD2 3.89Å; L130-L141 HydrophobicContact CD1-CD2 4.4Å; L130-L145 HydrophobicContact CD1-CD1 4.19Å; L130-L145 HydrophobicContact CD2-CD1 4.1Å; L130-L145 HydrophobicContact CD2-CD2 4.32Å; L130-E541 HydrophobicContact CD1-CG 4.44Å; L130-E541 VanDerWaalsContact CD1-OE1 3.31Å; L130-E541 WeakPolarHBondContact CD1-OE1 3.45Å; L130-V545 HydrophobicContact CD1-CG2 3.78Å; L130-V545 HydrophobicContact CD2-CG2 4.32Å; L130-Y554 HydrophobicContact CD2-CD2 4.23Å; L130-Y554 HydrophobicContact CD2-CE2 4.08Å
131	G	94	Very high	91.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.8	-44.8	176.6	0	0	0	0	0	112.1	E127 G129 Y133 S134 S135 T378 S381 S382	E127-G131 PolarHBondContact O-N 2.97Å; G129-G131 PolarHBondContact O-N 2.9Å; G131-Y133 PolarHBondContact O-N 3.22Å; G131-S134 PolarHBondContact O-OG 2.64Å; G131-S135 WeakPolarHBondContact O-CA 3.48Å; G131-S135 PolarHBondContact O-N 3.17Å; G131-T378 WeakPolarHBondContact CA-O 3.37Å; G131-S381 WeakPolarHBondContact CA-OG 3.43Å; G131-S382 VanDerWaalsContact O-CA 3.26Å; G131-S382 WeakPolarHBondContact O-CA 3.32Å
132	Q	93.9	Very high	90.7	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.014	5%	0.054	C	C	.	.	H	α-helix	trans	-63.7	-41.3	179.2	-179.4	162.9	-64.8	0	0	113.1	L128 G129 S381 N384 L386 N388 M561	L128-Q132 VanDerWaalsContact O-CB 3.27Å; L128-Q132 WeakPolarHBondContact O-CB 3.44Å; L128-Q132 PolarHBondContact O-N 3.35Å; G129-Q132 PolarHBondContact O-N 3.42Å; Q132-S381 WeakPolarHBondContact CA-O 3.48Å; Q132-S381 PolarHBondContact N-OG 3.13Å; Q132-N384 HydrophobicContact CG-CB 4.16Å; Q132-N384 PolarHBondContact OE1-ND2 3.29Å; Q132-L386 PolarHBondContact NE2-O 3.16Å; Q132-N388 PolarHBondContact NE2-O 3.07Å; Q132-M561 HydrophobicContact CB-SD 4.24Å; Q132-M561 HydrophobicContact CG-SD 4.05Å
133	Y	91.2	Very high	89.9	Confident	25 Å²	25	12 Å²	12	10%	0.098	6%	0.063	C	C	.	.	H	α-helix	trans	-68	-49.4	179.4	-177.7	-113.3	0	0	0	111.9	G129 G131 L386 D557 F560 M561	G129-Y133 VanDerWaalsContact O-CB 3.26Å; G129-Y133 WeakPolarHBondContact O-CB 3.46Å; G129-Y133 PolarHBondContact O-N 3.21Å; G131-Y133 PolarHBondContact O-N 3.22Å; Y133-L386 HydrophobicContact CD2-CD1 4.36Å; Y133-D557 HydrophobicContact CD1-CB 4.18Å; Y133-D557 HydrophobicContact CD2-CB 3.99Å; Y133-D557 HydrophobicContact CE1-CB 4.04Å; Y133-D557 VanDerWaalsContact CE1-CG 3.43Å; Y133-D557 WeakPolarHBondContact CE1-OD1 3.13Å; Y133-D557 HydrophobicContact CE2-CB 3.86Å; Y133-D557 HydrophobicContact CG-CB 4.15Å; Y133-D557 PolarHBondContact OH-OD1 2.85Å; Y133-F560 HydrophobicContact CD2-CD1 4.4Å; Y133-F560 AromaticContact CE2-CD1 3.84Å; Y133-F560 HydrophobicContact CE2-CD1 3.84Å; Y133-F560 HydrophobicContact CE2-CE1 4.31Å; Y133-M561 VanDerWaalsContact CA-SD 3.51Å; Y133-M561 WeakPolarHBondContact CB-SD 3.19Å; Y133-M561 HydrophobicContact CD2-CE 4.4Å; Y133-M561 HydrophobicContact CD2-CG 3.92Å; Y133-M561 HydrophobicContact CD2-SD 4.04Å; Y133-M561 HydrophobicContact CG-CE 4.42Å; Y133-M561 HydrophobicContact CG-SD 4.24Å; Y133-M561 PolarHBondContact N-SD 2.94Å
134	S	90.5	Very high	89.1	Confident	25 Å²	25	13.9 Å²	13.9	18%	0.175	8%	0.079	C	C	.	.	H	α-helix	trans	-73.9	-35.8	-174.3	64.7	0	0	0	0	112	L130 G131 L136	L130-S134 VanDerWaalsContact O-CB 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.48Å; L130-S134 PolarHBondContact O-N 3.45Å; L130-S134 VanDerWaalsContact O-N 3.08Å; L130-S134 PolarHBondContact O-OG 3.33Å; G131-S134 PolarHBondContact O-OG 2.64Å; S134-L136 WeakPolarHBondContact O-CG 3.44Å; S134-L136 PolarHBondContact O-N 2.93Å; S134-L136 PolarHBondContact OG-N 3.07Å
135	S	90.5	Very high	88.1	Confident	35 Å²	35	14.3 Å²	14.3	25%	0.245	8%	0.081	C	C	.	.			trans	57.3	23.5	-167.8	-164.5	0	0	0	0	112.8	K70 K72 G131 S382	K70-S135 WeakPolarHBondContact CD-O 3.46Å; K70-S135 PolarHBondContact NZ-O 3.48Å; K72-S135 PolarHBondContact NZ-OG 3.05Å; G131-S135 WeakPolarHBondContact O-CA 3.48Å; G131-S135 PolarHBondContact O-N 3.17Å; S135-S382 PolarHBondContact OG-O 2.77Å; S135-S382 VanDerWaalsContact OG-O 3.05Å
136	L	89.5	Confident	86.6	Confident	43 Å²	43	14.5 Å²	14.5	23%	0.225	8%	0.083	C	C	.	.	S	Bend	trans	-112.7	157.3	-176.7	-61.2	176.5	0	0	0	112.2	S134 Q140 L141 A144	S134-L136 WeakPolarHBondContact O-CG 3.44Å; S134-L136 PolarHBondContact O-N 2.93Å; S134-L136 PolarHBondContact OG-N 3.07Å; L136-Q140 HydrophobicContact CB-CB 4.14Å; L136-Q140 HydrophobicContact CD1-CB 4.09Å; L136-Q140 HydrophobicContact CG-CB 4.47Å; L136-L141 HydrophobicContact CB-CB 4.48Å; L136-A144 HydrophobicContact CD1-CB 4.48Å
137	A	89.2	Confident	84.4	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.			trans	-64.3	156.8	163.1	0	0	0	0	0	111.8	H139 Q140 L141 T480 A481 D484	A137-H139 PolarHBondContact O-N 3.24Å; A137-Q140 PolarHBondContact O-N 3.14Å; A137-Q140 VanDerWaalsContact O-N 3.13Å; A137-L141 WeakPolarHBondContact O-CB 3.34Å; A137-L141 PolarHBondContact O-N 3.4Å; A137-T480 HydrophobicContact CB-CG2 4.14Å; A137-A481 HydrophobicContact CB-CB 4.32Å; A137-D484 HydrophobicContact CB-CB 4.02Å; A137-D484 PolarHBondContact N-OD2 3.5Å
138	S	89.3	Confident	81.8	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-50.2	-49.7	-176.7	54.1	0	0	0	0	114.1	Q140 L141 F142 G171	S138-Q140 PolarHBondContact O-N 3.21Å; S138-L141 WeakPolarHBondContact O-CB 3.28Å; S138-L141 PolarHBondContact O-N 3.29Å; S138-F142 VanDerWaalsContact O-CD2 3.24Å; S138-F142 WeakPolarHBondContact O-CD2 3.43Å; S138-F142 PolarHBondContact O-N 3.16Å; S138-G171 PolarHBondContact OG-O 2.82Å
139	H	85	Confident	79.1	Confident	3 Å²	3	24.4 Å²	24.4	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-56.9	-44.5	178.3	70.5	-64.3	0	0	0	113.9	A137 E143 Y172 I175 A481 Q485	A137-H139 PolarHBondContact O-N 3.24Å; H139-E143 WeakPolarHBondContact O-CB 3.32Å; H139-E143 PolarHBondContact O-N 3.5Å; H139-E143 VanDerWaalsContact O-N 3.14Å; H139-Y172 HydrophobicContact CB-CD1 4.19Å; H139-Y172 HydrophobicContact CB-CD2 4.4Å; H139-Y172 HydrophobicContact CB-CE1 4.13Å; H139-Y172 HydrophobicContact CB-CE2 4.35Å; H139-Y172 HydrophobicContact CB-CG 4.31Å; H139-I175 HydrophobicContact CB-CD1 3.77Å; H139-A481 PolarHBondContact CE1-O 3.32Å; H139-Q485 PolarHBondContact NE2-OE1 3.43Å
140	Q	84.3	Confident	76.6	Confident	42 Å²	42	26.1 Å²	26.1	20%	0.196	15%	0.149	C	C	.	.	H	α-helix	trans	-76	-32.4	177.8	-70.7	-178.1	0.6	0	0	112.6	L136 A137 S138 E143 A144 D484	L136-Q140 HydrophobicContact CB-CB 4.14Å; L136-Q140 HydrophobicContact CD1-CB 4.09Å; L136-Q140 HydrophobicContact CG-CB 4.47Å; A137-Q140 PolarHBondContact O-N 3.14Å; A137-Q140 VanDerWaalsContact O-N 3.13Å; S138-Q140 PolarHBondContact O-N 3.21Å; Q140-E143 PolarHBondContact O-N 2.99Å; Q140-A144 WeakPolarHBondContact O-CB 3.45Å; Q140-A144 PolarHBondContact O-N 3.3Å; Q140-D484 PolarHBondContact NE2-O 3.27Å
141	L	86.1	Confident	73.9	Confident	5 Å²	5	28.9 Å²	28.9	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-54.7	173.2	166.4	68.4	0	0	0	110.5	L130 L136 A137 S138 E143 A144 L145 T378	L130-L141 HydrophobicContact CB-CD1 4.29Å; L130-L141 HydrophobicContact CB-CD2 3.89Å; L130-L141 HydrophobicContact CD1-CD2 4.4Å; L136-L141 HydrophobicContact CB-CB 4.48Å; A137-L141 WeakPolarHBondContact O-CB 3.34Å; A137-L141 PolarHBondContact O-N 3.4Å; S138-L141 WeakPolarHBondContact O-CB 3.28Å; S138-L141 PolarHBondContact O-N 3.29Å; L141-E143 VanDerWaalsContact C-N 3.28Å; L141-E143 PolarHBondContact O-N 2.98Å; L141-A144 WeakPolarHBondContact O-CA 3.24Å; L141-A144 WeakPolarHBondContact O-CB 3.37Å; L141-A144 PolarHBondContact O-N 2.92Å; L141-L145 HydrophobicContact CD1-CD1 3.86Å; L141-L145 HydrophobicContact CD1-CD2 4.46Å; L141-L145 HydrophobicContact CD1-CG 3.96Å; L141-L145 HydrophobicContact CG-CD1 4.02Å; L141-L145 HydrophobicContact CG-CG 4.43Å; L141-L145 WeakPolarHBondContact O-CG 2.99Å; L141-L145 PolarHBondContact O-N 3.46Å; L141-T378 HydrophobicContact CD2-CG2 3.38Å
142	F	82.9	Confident	71.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.5	-26	-177.5	-74.1	-71.1	0	0	0	112.7	S138 A144 L145 C146 L170 M174 E541 I544	S138-F142 VanDerWaalsContact O-CD2 3.24Å; S138-F142 WeakPolarHBondContact O-CD2 3.43Å; S138-F142 PolarHBondContact O-N 3.16Å; F142-A144 VanDerWaalsContact C-N 3.34Å; F142-L145 HydrophobicContact CD1-CD1 4.08Å; F142-L145 HydrophobicContact CE1-CD1 4.13Å; F142-C146 WeakPolarHBondContact O-CB 3.46Å; F142-C146 PolarHBondContact O-N 3.41Å; F142-L170 HydrophobicContact CD1-CD2 3.9Å; F142-L170 HydrophobicContact CD2-CD2 4.41Å; F142-L170 HydrophobicContact CD2-CG 4.35Å; F142-L170 HydrophobicContact CE1-CD2 3.59Å; F142-L170 HydrophobicContact CE2-CD2 4.17Å; F142-L170 HydrophobicContact CE2-CG 4.33Å; F142-L170 HydrophobicContact CG-CB 4.39Å; F142-L170 HydrophobicContact CG-CD2 4.31Å; F142-L170 HydrophobicContact CG-CG 4.49Å; F142-L170 HydrophobicContact CZ-CD2 3.75Å; F142-L170 HydrophobicContact CZ-CG 4.39Å; F142-M174 HydrophobicContact CD2-SD 4.3Å; F142-M174 HydrophobicContact CE2-CE 3.67Å; F142-M174 HydrophobicContact CE2-SD 3.53Å; F142-M174 VanDerWaalsContact CE2-SD 3.53Å; F142-M174 HydrophobicContact CZ-CE 3.85Å; F142-M174 HydrophobicContact CZ-SD 4.32Å; F142-E541 HydrophobicContact CE1-CB 4.35Å; F142-E541 HydrophobicContact CE1-CG 4.03Å; F142-E541 HydrophobicContact CZ-CB 4.23Å; F142-E541 HydrophobicContact CZ-CG 3.83Å; F142-I544 HydrophobicContact CD1-CD1 3.95Å; F142-I544 HydrophobicContact CD1-CG2 4.08Å; F142-I544 HydrophobicContact CE1-CD1 4.32Å; F142-I544 HydrophobicContact CE1-CG2 4.35Å
143	E	75.3	Confident	68	Low	51 Å²	51	43.3 Å²	43.3	24%	0.238	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-41.8	165.3	-174.9	175.2	168	0	0	112	H139 Q140 L141 Q168	H139-E143 WeakPolarHBondContact O-CB 3.32Å; H139-E143 PolarHBondContact O-N 3.5Å; H139-E143 VanDerWaalsContact O-N 3.14Å; Q140-E143 PolarHBondContact O-N 2.99Å; L141-E143 VanDerWaalsContact C-N 3.28Å; L141-E143 PolarHBondContact O-N 2.98Å; E143-Q168 HydrophobicContact CB-CG 4.01Å; E143-Q168 HydrophobicContact CG-CG 4.07Å; E143-Q168 PolarHBondContact OE2-NE2 3.36Å
144	A	74.3	Confident	65.1	Low	41 Å²	41	51.3 Å²	51.3	34%	0.339	28%	0.282	S	S	.	.	H	α-helix	trans	-74.2	-37.2	-178	0	0	0	0	0	113.4	L136 Q140 L141 F142 C146	L136-A144 HydrophobicContact CD1-CB 4.48Å; Q140-A144 WeakPolarHBondContact O-CB 3.45Å; Q140-A144 PolarHBondContact O-N 3.3Å; L141-A144 WeakPolarHBondContact O-CA 3.24Å; L141-A144 WeakPolarHBondContact O-CB 3.37Å; L141-A144 PolarHBondContact O-N 2.92Å; F142-A144 VanDerWaalsContact C-N 3.34Å; A144-C146 PolarHBondContact O-N 2.7Å
145	L	72.9	Confident	62.2	Low	9 Å²	9	54.7 Å²	54.7	5%	0.047	31%	0.306	C	S	.	.	H	α-helix	trans	-68.7	-21.1	178.4	-69.4	176.6	0	0	0	113	L130 L141 F142 P147 I544 V545 Y549	L130-L145 HydrophobicContact CD1-CD1 4.19Å; L130-L145 HydrophobicContact CD2-CD1 4.1Å; L130-L145 HydrophobicContact CD2-CD2 4.32Å; L141-L145 HydrophobicContact CD1-CD1 3.86Å; L141-L145 HydrophobicContact CD1-CD2 4.46Å; L141-L145 HydrophobicContact CD1-CG 3.96Å; L141-L145 HydrophobicContact CG-CD1 4.02Å; L141-L145 HydrophobicContact CG-CG 4.43Å; L141-L145 WeakPolarHBondContact O-CG 2.99Å; L141-L145 PolarHBondContact O-N 3.46Å; F142-L145 HydrophobicContact CD1-CD1 4.08Å; F142-L145 HydrophobicContact CE1-CD1 4.13Å; L145-P147 WeakPolarHBondContact O-CD 3.39Å; L145-I544 HydrophobicContact CB-CG2 4.18Å; L145-I544 HydrophobicContact CD1-CG2 4.46Å; L145-V545 HydrophobicContact CD1-CG2 4.42Å; L145-Y549 HydrophobicContact CB-CD2 4.24Å; L145-Y549 HydrophobicContact CB-CG 4.41Å; L145-Y549 HydrophobicContact CD2-CD1 3.8Å; L145-Y549 HydrophobicContact CD2-CD2 3.64Å; L145-Y549 HydrophobicContact CD2-CE1 3.93Å; L145-Y549 HydrophobicContact CD2-CE2 3.79Å; L145-Y549 HydrophobicContact CD2-CG 3.65Å; L145-Y549 WeakPolarHBondContact O-CD2 3.31Å
146	C	62.3	Low	59.4	Low	9 Å²	9	57.7 Å²	57.7	6%	0.061	32%	0.324	C	S	.	.			trans	-115.5	65.3	-172.2	-67.1	0	0	0	0	113.4	F142 A144 L148 L167 I544 I548	F142-C146 WeakPolarHBondContact O-CB 3.46Å; F142-C146 PolarHBondContact O-N 3.41Å; A144-C146 PolarHBondContact O-N 2.7Å; C146-L148 PolarHBondContact O-N 2.79Å; C146-L167 HydrophobicContact CB-CB 3.61Å; C146-L167 HydrophobicContact CB-CD1 3.58Å; C146-L167 HydrophobicContact CB-CG 4.21Å; C146-L167 WeakPolarHBondContact SG-CD1 3.48Å; C146-I544 WeakPolarHBondContact SG-CG2 3.36Å; C146-I548 HydrophobicContact CB-CG2 4.35Å
147	P	46.5	Very low	56.7	Low	63 Å²	63	62.2 Å²	62.2	41%	0.409	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-10.3	177.8	30.4	-34	0	0	0	113.5	L145 F149 S150	L145-P147 WeakPolarHBondContact O-CD 3.39Å; P147-F149 PolarHBondContact O-N 2.92Å; P147-S150 PolarHBondContact O-N 2.82Å
148	L	39.5	Very low	54.2	Low	99 Å²	99	66 Å²	66	52%	0.518	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-27.4	-177.7	-163.4	80.6	0	0	0	113	C146 I548	C146-L148 PolarHBondContact O-N 2.79Å; L148-I548 HydrophobicContact CB-CG2 4.33Å
149	F	39	Very low	51.3	Low	54 Å²	54	74.6 Å²	74.6	24%	0.237	43%	0.433	C	S	.	.	S	Bend	trans	-119	-9.1	176.5	-59.3	-76.3	0	0	0	114.4	P147 G151 N164 V166 L167 K637	P147-F149 PolarHBondContact O-N 2.92Å; F149-G151 VanDerWaalsContact C-N 3.3Å; F149-G151 PolarHBondContact O-N 2.91Å; F149-N164 HydrophobicContact CB-CB 4.15Å; F149-N164 VanDerWaalsContact CB-ND2 3.31Å; F149-N164 WeakPolarHBondContact CB-ND2 3.33Å; F149-N164 VanDerWaalsContact O-CB 3.24Å; F149-N164 WeakPolarHBondContact O-CB 3.35Å; F149-N164 PolarHBondContact O-ND2 3.25Å; F149-V166 HydrophobicContact CB-CB 4.45Å; F149-V166 HydrophobicContact CB-CG2 3.63Å; F149-V166 HydrophobicContact CD1-CG2 3.93Å; F149-V166 HydrophobicContact CD2-CB 3.72Å; F149-V166 HydrophobicContact CD2-CG1 3.93Å; F149-V166 HydrophobicContact CD2-CG2 3.55Å; F149-V166 HydrophobicContact CE1-CG2 4.45Å; F149-V166 HydrophobicContact CE2-CB 4.13Å; F149-V166 HydrophobicContact CE2-CG1 3.78Å; F149-V166 HydrophobicContact CE2-CG2 4.12Å; F149-V166 HydrophobicContact CG-CB 4.14Å; F149-V166 HydrophobicContact CG-CG2 3.44Å; F149-V166 VanDerWaalsContact CG-CG2 3.44Å; F149-V166 HydrophobicContact CZ-CG1 4.33Å; F149-L167 HydrophobicContact CD2-CD1 4.35Å; F149-L167 HydrophobicContact CE2-CD1 4.42Å; F149-K637 HydrophobicContact CD1-CG 4.49Å
150	S	40.9	Very low	48.9	Very low	35 Å²	35	81 Å²	81	25%	0.245	47%	0.472	C	S	.	.			trans	-63.4	97	170.3	-168	0	0	0	0	107.5	P147 K152	P147-S150 PolarHBondContact O-N 2.82Å; S150-K152 PolarHBondContact O-N 2.93Å
151	G	34.3	Very low	46.5	Very low	64 Å²	64	87.2 Å²	87.2	66%	0.66	50%	0.499	S	S	*	.			trans	-67.2	71.5	-179.3	0	0	0	0	0	109.8	F149 Q153	F149-G151 VanDerWaalsContact C-N 3.3Å; F149-G151 PolarHBondContact O-N 2.91Å; G151-Q153 PolarHBondContact O-N 2.63Å
152	K	37.3	Very low	44.1	Very low	134 Å²	134	97.9 Å²	97.9	58%	0.583	54%	0.539	S	S	*	.			trans	-78.5	71.9	174	-74.1	-174.3	-179.6	173.2	0	108.6	S150	S150-K152 PolarHBondContact O-N 2.93Å
153	Q	28.4	Very low	41.7	Very low	173 Å²	173	102 Å²	102	81%	0.808	56%	0.563	S	S	*	*			trans	-73.7	125.4	147.1	-156.1	171.6	4.2	0	0	106.1	G151 S155	G151-Q153 PolarHBondContact O-N 2.63Å; Q153-S155 PolarHBondContact O-N 3.27Å; Q153-S155 PolarHBondContact O-OG 3.49Å
154	H	29.2	Very low	40.2	Very low	192 Å²	192	100.6 Å²	100.6	89%	0.889	56%	0.558	S	S	*	*			trans	-34.6	103.5	179.5	-85.4	45.9	0	0	0	111.5
155	S	30.7	Very low	38.8	Very low	97 Å²	97	100.8 Å²	100.8	68%	0.678	56%	0.556	S	S	*	*			trans	-108	127.6	166.4	-70.5	0	0	0	0	108.1	Q153	Q153-S155 PolarHBondContact O-N 3.27Å; Q153-S155 PolarHBondContact O-OG 3.49Å
156	P	30.4	Very low	37.6	Very low	97 Å²	97	100.6 Å²	100.6	63%	0.63	56%	0.555	S	S	*	*			trans	-65.3	161.3	-178.6	26	-32.2	0	0	0	111.6	G158	P156-G158 PolarHBondContact O-N 2.88Å
157	P	32.7	Very low	36.9	Very low	138 Å²	138	101.5 Å²	101.5	90%	0.896	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	132.4	-177.5	24.2	-33.3	0	0	0	110.8
158	G	36.9	Very low	37.4	Very low	81 Å²	81	99.4 Å²	99.4	84%	0.835	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.7	-4.9	172	0	0	0	0	0	116.7	P156	P156-G158 PolarHBondContact O-N 2.88Å
159	K	28.8	Very low	38.7	Very low	179 Å²	179	95 Å²	95	78%	0.778	52%	0.522	S	S	*	.	S	Bend	trans	-108.8	127.1	169.5	-75.5	-173.2	177.8	179.6	0	111.4	F161	K159-F161 PolarHBondContact O-N 3.31Å
160	V	33.9	Very low	40.8	Very low	138 Å²	138	92.9 Å²	92.9	84%	0.836	51%	0.513	S	S	*	.			trans	-35.7	127.7	-178.3	180	0	0	0	0	112.1	R162	V160-R162 PolarHBondContact O-N 2.92Å; V160-R162 VanDerWaalsContact O-N 3.13Å
161	F	34.9	Very low	42.9	Very low	173 Å²	173	91.2 Å²	91.2	76%	0.759	50%	0.502	S	S	*	.			trans	-46.2	116	173.1	-72.9	-101.3	0	0	0	109.9	K159 T163	K159-F161 PolarHBondContact O-N 3.31Å; F161-T163 VanDerWaalsContact C-N 3.29Å; F161-T163 PolarHBondContact O-N 2.86Å
162	R	34.9	Very low	45.3	Very low	229 Å²	229	93.3 Å²	93.3	86%	0.864	49%	0.49	S	S	*	.			trans	-72	93.8	163.9	-84.5	-172.3	174.6	-175.6	-1.8	107.2	V160	V160-R162 PolarHBondContact O-N 2.92Å; V160-R162 VanDerWaalsContact O-N 3.13Å
163	T	33.3	Very low	47.6	Very low	85 Å²	85	87.3 Å²	87.3	52%	0.521	47%	0.465	S	S	.	.			trans	-57.8	146	176.2	47.4	0	0	0	0	110.6	F161	F161-T163 VanDerWaalsContact C-N 3.29Å; F161-T163 PolarHBondContact O-N 2.86Å
164	N	43.9	Very low	50.4	Low	22 Å²	22	79 Å²	79	12%	0.118	43%	0.426	C	S	.	.			trans	-117.5	118.7	168	-165.3	-52.6	0	0	0	110.5	F149 V166 Q168 W633	F149-N164 HydrophobicContact CB-CB 4.15Å; F149-N164 VanDerWaalsContact CB-ND2 3.31Å; F149-N164 WeakPolarHBondContact CB-ND2 3.33Å; F149-N164 VanDerWaalsContact O-CB 3.24Å; F149-N164 WeakPolarHBondContact O-CB 3.35Å; F149-N164 PolarHBondContact O-ND2 3.25Å; N164-V166 PolarHBondContact O-N 2.52Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.34Å; N164-V166 PolarHBondContact OD1-N 2.93Å; N164-V166 VanDerWaalsContact OD1-N 3.15Å; N164-Q168 WeakPolarHBondContact O-CG 3.22Å; N164-W633 PolarHBondContact OD1-NE1 3.12Å
165	P	44.4	Very low	53.4	Low	46 Å²	46	70.8 Å²	70.8	30%	0.299	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.2	-171.8	28.8	-34.4	0	0	0	116.4	L167 Q168 W633	P165-L167 PolarHBondContact O-N 3.38Å; P165-Q168 PolarHBondContact O-N 3.44Å; P165-W633 HydrophobicContact CG-CD2 3.71Å; P165-W633 HydrophobicContact CG-CE3 4.13Å; P165-W633 HydrophobicContact CG-CG 4.05Å; P165-W633 HydrophobicContact CG-CH2 4.43Å; P165-W633 HydrophobicContact CG-CZ2 4.04Å; P165-W633 HydrophobicContact CG-CZ3 4.48Å
166	V	47.7	Very low	56.1	Low	4 Å²	4	69.1 Å²	69.1	2%	0.024	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.9	-167.8	-163	0	0	0	0	113.1	F149 N164 A630 W633 A634	F149-V166 HydrophobicContact CB-CB 4.45Å; F149-V166 HydrophobicContact CB-CG2 3.63Å; F149-V166 HydrophobicContact CD1-CG2 3.93Å; F149-V166 HydrophobicContact CD2-CB 3.72Å; F149-V166 HydrophobicContact CD2-CG1 3.93Å; F149-V166 HydrophobicContact CD2-CG2 3.55Å; F149-V166 HydrophobicContact CE1-CG2 4.45Å; F149-V166 HydrophobicContact CE2-CB 4.13Å; F149-V166 HydrophobicContact CE2-CG1 3.78Å; F149-V166 HydrophobicContact CE2-CG2 4.12Å; F149-V166 HydrophobicContact CG-CB 4.14Å; F149-V166 HydrophobicContact CG-CG2 3.44Å; F149-V166 VanDerWaalsContact CG-CG2 3.44Å; F149-V166 HydrophobicContact CZ-CG1 4.33Å; N164-V166 PolarHBondContact O-N 2.52Å; N164-V166 WeakPolarHBondContact OD1-CG2 3.34Å; N164-V166 PolarHBondContact OD1-N 2.93Å; N164-V166 VanDerWaalsContact OD1-N 3.15Å; V166-A630 WeakPolarHBondContact O-CA 3.41Å; V166-A630 VanDerWaalsContact O-CB 3.27Å; V166-A630 WeakPolarHBondContact O-CB 3.34Å; V166-W633 HydrophobicContact CG2-CG 4.27Å; V166-A634 HydrophobicContact CG1-CB 4.08Å
167	L	48.1	Very low	58.9	Low	28 Å²	28	64.9 Å²	64.9	15%	0.147	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	1.4	-174.2	-66.9	164.6	0	0	0	113.4	C146 F149 P165 G169 I544 I548	C146-L167 HydrophobicContact CB-CB 3.61Å; C146-L167 HydrophobicContact CB-CD1 3.58Å; C146-L167 HydrophobicContact CB-CG 4.21Å; C146-L167 WeakPolarHBondContact SG-CD1 3.48Å; F149-L167 HydrophobicContact CD2-CD1 4.35Å; F149-L167 HydrophobicContact CE2-CD1 4.42Å; P165-L167 PolarHBondContact O-N 3.38Å; L167-G169 PolarHBondContact O-N 3.27Å; L167-I544 HydrophobicContact CD2-CD1 4.16Å; L167-I544 HydrophobicContact CD2-CG1 4.24Å; L167-I548 HydrophobicContact CD1-CD1 3.58Å; L167-I548 HydrophobicContact CD1-CG2 4.17Å; L167-I548 HydrophobicContact CD2-CD1 4.36Å
168	Q	55.3	Low	61.8	Low	19 Å²	19	58.3 Å²	58.3	9%	0.089	30%	0.302	C	S	.	.	H	α-helix	trans	-57	-28.4	158.9	-75.5	-180	-26.9	0	0	110.9	E143 N164 P165 L170 G171 Y172	E143-Q168 HydrophobicContact CB-CG 4.01Å; E143-Q168 HydrophobicContact CG-CG 4.07Å; E143-Q168 PolarHBondContact OE2-NE2 3.36Å; N164-Q168 WeakPolarHBondContact O-CG 3.22Å; P165-Q168 PolarHBondContact O-N 3.44Å; Q168-L170 PolarHBondContact O-N 3.12Å; Q168-G171 PolarHBondContact O-N 3.39Å; Q168-Y172 HydrophobicContact CB-CD2 3.98Å; Q168-Y172 HydrophobicContact CB-CE2 3.89Å; Q168-Y172 VanDerWaalsContact O-CD2 3.25Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.42Å; Q168-Y172 PolarHBondContact O-N 3.01Å; Q168-Y172 VanDerWaalsContact O-N 3.16Å
169	G	68.4	Low	64.4	Low	7 Å²	7	57 Å²	57	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-46.4	-54.4	-179.8	0	0	0	0	0	113.2	L167 G171 Y172 V173	L167-G169 PolarHBondContact O-N 3.27Å; G169-G171 VanDerWaalsContact C-N 3.32Å; G169-G171 PolarHBondContact O-N 3.03Å; G169-Y172 PolarHBondContact O-N 3.3Å; G169-Y172 VanDerWaalsContact O-N 3.15Å; G169-V173 WeakPolarHBondContact O-CB 3.43Å; G169-V173 WeakPolarHBondContact O-CG2 3.48Å; G169-V173 PolarHBondContact O-N 2.87Å
170	L	82	Confident	67.4	Low	10 Å²	10	49.4 Å²	49.4	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-41.4	-174.7	-178.1	61.7	0	0	0	112.9	F142 Q168 V173 M174 Q537 L540 E541 I544	F142-L170 HydrophobicContact CD1-CD2 3.9Å; F142-L170 HydrophobicContact CD2-CD2 4.41Å; F142-L170 HydrophobicContact CD2-CG 4.35Å; F142-L170 HydrophobicContact CE1-CD2 3.59Å; F142-L170 HydrophobicContact CE2-CD2 4.17Å; F142-L170 HydrophobicContact CE2-CG 4.33Å; F142-L170 HydrophobicContact CG-CB 4.39Å; F142-L170 HydrophobicContact CG-CD2 4.31Å; F142-L170 HydrophobicContact CG-CG 4.49Å; F142-L170 HydrophobicContact CZ-CD2 3.75Å; F142-L170 HydrophobicContact CZ-CG 4.39Å; Q168-L170 PolarHBondContact O-N 3.12Å; L170-V173 VanDerWaalsContact O-CB 3.29Å; L170-V173 WeakPolarHBondContact O-CB 3.34Å; L170-V173 PolarHBondContact O-N 2.92Å; L170-M174 HydrophobicContact CD1-CE 4.37Å; L170-M174 HydrophobicContact CD2-CE 4.34Å; L170-M174 HydrophobicContact CG-CE 4.19Å; L170-M174 WeakPolarHBondContact O-CG 3.29Å; L170-M174 PolarHBondContact O-N 2.92Å; L170-Q537 HydrophobicContact CD1-CB 4.02Å; L170-Q537 HydrophobicContact CD1-CG 4.1Å; L170-L540 HydrophobicContact CD1-CB 4.15Å; L170-L540 HydrophobicContact CD1-CD1 4.32Å; L170-L540 HydrophobicContact CD2-CB 4.07Å; L170-E541 HydrophobicContact CD2-CB 4.02Å; L170-I544 HydrophobicContact CB-CD1 4.22Å; L170-I544 HydrophobicContact CD2-CD1 3.58Å
171	G	86	Confident	70.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72.3	-36	179.3	0	0	0	0	0	113.2	S138 Q168 G169 V173 M174 I175	S138-G171 PolarHBondContact OG-O 2.82Å; Q168-G171 PolarHBondContact O-N 3.39Å; G169-G171 VanDerWaalsContact C-N 3.32Å; G169-G171 PolarHBondContact O-N 3.03Å; G171-V173 PolarHBondContact O-N 3.41Å; G171-M174 PolarHBondContact O-N 3.13Å; G171-I175 WeakPolarHBondContact O-CD1 3.46Å; G171-I175 WeakPolarHBondContact O-CG1 3.21Å; G171-I175 PolarHBondContact O-N 3.49Å
172	Y	84.8	Confident	73.1	Confident	107 Å²	107	35.4 Å²	35.4	42%	0.42	17%	0.172	S	C	.	.	H	α-helix	trans	-63.7	-29.6	169.8	-78.1	-64.6	0	0	0	112.6	H139 Q168 G169 I175 L176	H139-Y172 HydrophobicContact CB-CD1 4.19Å; H139-Y172 HydrophobicContact CB-CD2 4.4Å; H139-Y172 HydrophobicContact CB-CE1 4.13Å; H139-Y172 HydrophobicContact CB-CE2 4.35Å; H139-Y172 HydrophobicContact CB-CG 4.31Å; Q168-Y172 HydrophobicContact CB-CD2 3.98Å; Q168-Y172 HydrophobicContact CB-CE2 3.89Å; Q168-Y172 VanDerWaalsContact O-CD2 3.25Å; Q168-Y172 WeakPolarHBondContact O-CD2 3.42Å; Q168-Y172 PolarHBondContact O-N 3.01Å; Q168-Y172 VanDerWaalsContact O-N 3.16Å; G169-Y172 PolarHBondContact O-N 3.3Å; G169-Y172 VanDerWaalsContact O-N 3.15Å; Y172-I175 HydrophobicContact CD1-CD1 4.4Å; Y172-I175 WeakPolarHBondContact O-CB 3.12Å; Y172-I175 PolarHBondContact O-N 2.93Å; Y172-L176 WeakPolarHBondContact O-CB 3.29Å; Y172-L176 PolarHBondContact O-N 3.5Å
173	V	84.1	Confident	76	Confident	8 Å²	8	24.8 Å²	24.8	5%	0.048	13%	0.132	C	C	.	.	H	α-helix	trans	-71.9	-46.5	178	166.8	0	0	0	0	111.5	G169 L170 G171 I175 L176 T177 Q537 A626	G169-V173 WeakPolarHBondContact O-CB 3.43Å; G169-V173 WeakPolarHBondContact O-CG2 3.48Å; G169-V173 PolarHBondContact O-N 2.87Å; L170-V173 VanDerWaalsContact O-CB 3.29Å; L170-V173 WeakPolarHBondContact O-CB 3.34Å; L170-V173 PolarHBondContact O-N 2.92Å; G171-V173 PolarHBondContact O-N 3.41Å; V173-I175 PolarHBondContact O-N 3.28Å; V173-L176 PolarHBondContact O-N 2.81Å; V173-T177 WeakPolarHBondContact O-CB 3.25Å; V173-T177 PolarHBondContact O-N 3.23Å; V173-T177 PolarHBondContact O-OG1 3.39Å; V173-Q537 HydrophobicContact CG1-CG 3.87Å; V173-A626 HydrophobicContact CB-CB 3.73Å; V173-A626 HydrophobicContact CG1-CB 3.29Å; V173-A626 HydrophobicContact CG2-CB 3.04Å
174	M	88.7	Confident	78.9	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-55.3	-38.2	173.2	-70.4	179.5	168.9	0	0	111	F142 L170 G171 S178 G373	F142-M174 HydrophobicContact CD2-SD 4.3Å; F142-M174 HydrophobicContact CE2-CE 3.67Å; F142-M174 HydrophobicContact CE2-SD 3.53Å; F142-M174 VanDerWaalsContact CE2-SD 3.53Å; F142-M174 HydrophobicContact CZ-CE 3.85Å; F142-M174 HydrophobicContact CZ-SD 4.32Å; L170-M174 HydrophobicContact CD1-CE 4.37Å; L170-M174 HydrophobicContact CD2-CE 4.34Å; L170-M174 HydrophobicContact CG-CE 4.19Å; L170-M174 WeakPolarHBondContact O-CG 3.29Å; L170-M174 PolarHBondContact O-N 2.92Å; G171-M174 PolarHBondContact O-N 3.13Å; M174-S178 VanDerWaalsContact O-CB 3.24Å; M174-S178 WeakPolarHBondContact O-CB 3.24Å; M174-S178 PolarHBondContact O-N 3.42Å; M174-S178 PolarHBondContact O-OG 3.29Å; M174-G373 WeakPolarHBondContact CE-O 3.28Å; M174-G373 WeakPolarHBondContact CG-O 3.5Å
175	I	90.5	Very high	81.3	Confident	18 Å²	18	20.4 Å²	20.4	9%	0.092	11%	0.105	C	C	.	.	H	α-helix	trans	-67.1	-47.3	174.4	-63.5	160.7	0	0	0	111.3	H139 G171 Y172 V173 S178 I179 V477 V478 A481	H139-I175 HydrophobicContact CB-CD1 3.77Å; G171-I175 WeakPolarHBondContact O-CD1 3.46Å; G171-I175 WeakPolarHBondContact O-CG1 3.21Å; G171-I175 PolarHBondContact O-N 3.49Å; Y172-I175 HydrophobicContact CD1-CD1 4.4Å; Y172-I175 WeakPolarHBondContact O-CB 3.12Å; Y172-I175 PolarHBondContact O-N 2.93Å; V173-I175 PolarHBondContact O-N 3.28Å; I175-S178 WeakPolarHBondContact O-CB 3.47Å; I175-S178 PolarHBondContact O-N 3.44Å; I175-I179 HydrophobicContact CG2-CD1 4.03Å; I175-I179 WeakPolarHBondContact O-CG1 3.43Å; I175-I179 PolarHBondContact O-N 3.29Å; I175-V477 HydrophobicContact CG1-CG1 4.22Å; I175-V478 HydrophobicContact CG2-CG2 4.49Å; I175-A481 HydrophobicContact CD1-CB 3.39Å; I175-A481 HydrophobicContact CG1-CB 3.9Å
176	L	88.7	Confident	83.8	Confident	62 Å²	62	18.2 Å²	18.2	33%	0.325	9%	0.09	S	C	.	.	H	α-helix	trans	-62.1	-47.8	179	178.5	62.1	0	0	0	111.6	Y172 V173 S178 I179 L180 S625	Y172-L176 WeakPolarHBondContact O-CB 3.29Å; Y172-L176 PolarHBondContact O-N 3.5Å; V173-L176 PolarHBondContact O-N 2.81Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.36Å; L176-I179 PolarHBondContact O-N 2.82Å; L176-I179 VanDerWaalsContact O-N 3.16Å; L176-L180 HydrophobicContact CD1-CD1 4.18Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CG-CD1 4.06Å; L176-L180 HydrophobicContact CG-CG 4.42Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.23Å; L176-S625 VanDerWaalsContact CD2-OG 3.28Å; L176-S625 WeakPolarHBondContact CD2-OG 3.46Å
177	T	88.8	Confident	86.2	Confident	9 Å²	9	18 Å²	18	6%	0.055	9%	0.089	C	C	.	.	H	α-helix	trans	-57.1	-45.4	173.3	-66.8	0	0	0	0	110.5	V173 I179 L180 T181 A529 L534 Q537	V173-T177 WeakPolarHBondContact O-CB 3.25Å; V173-T177 PolarHBondContact O-N 3.23Å; V173-T177 PolarHBondContact O-OG1 3.39Å; T177-I179 VanDerWaalsContact C-N 3.33Å; T177-I179 PolarHBondContact O-N 3.15Å; T177-L180 PolarHBondContact O-N 3.28Å; T177-T181 WeakPolarHBondContact O-CB 3Å; T177-T181 PolarHBondContact O-N 3.45Å; T177-T181 PolarHBondContact O-OG1 3.05Å; T177-T181 VanDerWaalsContact O-OG1 3.05Å; T177-A529 WeakPolarHBondContact CG2-O 3.49Å; T177-L534 HydrophobicContact CG2-CD2 3.73Å; T177-Q537 PolarHBondContact OG1-NE2 2.99Å
178	S	92.6	Very high	88.4	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60	-40.6	176.2	-67.5	0	0	0	0	112.8	M174 I175 L176 A182 A374	M174-S178 VanDerWaalsContact O-CB 3.24Å; M174-S178 WeakPolarHBondContact O-CB 3.24Å; M174-S178 PolarHBondContact O-N 3.42Å; M174-S178 PolarHBondContact O-OG 3.29Å; I175-S178 WeakPolarHBondContact O-CB 3.47Å; I175-S178 PolarHBondContact O-N 3.44Å; L176-S178 VanDerWaalsContact C-N 3.3Å; L176-S178 PolarHBondContact O-N 3.36Å; S178-A182 WeakPolarHBondContact O-CB 3.35Å; S178-A182 PolarHBondContact O-N 2.9Å; S178-A374 PolarHBondContact OG-O 2.91Å
179	I	92.7	Very high	90.4	Very high	52 Å²	52	15.9 Å²	15.9	27%	0.267	8%	0.079	S	C	.	.	H	α-helix	trans	-64.7	-51.6	175.5	-68.1	165.7	0	0	0	110.4	I175 L176 T177 T181 A182 L183 V478	I175-I179 HydrophobicContact CG2-CD1 4.03Å; I175-I179 WeakPolarHBondContact O-CG1 3.43Å; I175-I179 PolarHBondContact O-N 3.29Å; L176-I179 PolarHBondContact O-N 2.82Å; L176-I179 VanDerWaalsContact O-N 3.16Å; T177-I179 VanDerWaalsContact C-N 3.33Å; T177-I179 PolarHBondContact O-N 3.15Å; I179-T181 PolarHBondContact O-N 2.77Å; I179-A182 PolarHBondContact O-N 3.34Å; I179-L183 HydrophobicContact CG2-CD1 4.31Å; I179-L183 HydrophobicContact CG2-CG 4.48Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.1Å; I179-V478 HydrophobicContact CD1-CG1 3.97Å; I179-V478 HydrophobicContact CD1-CG2 4.1Å; I179-V478 HydrophobicContact CG1-CB 4.34Å; I179-V478 HydrophobicContact CG1-CG1 4.03Å; I179-V478 HydrophobicContact CG1-CG2 3.34Å
180	L	92.5	Very high	91.8	Very high	21 Å²	21	15.5 Å²	15.5	11%	0.11	8%	0.075	C	C	.	.	H	α-helix	trans	-61.7	-44.3	-177.5	-67.3	176.4	0	0	0	111.4	L176 T177 L183 Y184 L525 A529 L622	L176-L180 HydrophobicContact CD1-CD1 4.18Å; L176-L180 HydrophobicContact CD1-CG 4.17Å; L176-L180 HydrophobicContact CG-CD1 4.06Å; L176-L180 HydrophobicContact CG-CG 4.42Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.23Å; T177-L180 PolarHBondContact O-N 3.28Å; L180-L183 HydrophobicContact CD2-CD1 4.32Å; L180-L183 WeakPolarHBondContact O-CB 3.27Å; L180-L183 PolarHBondContact O-N 3.48Å; L180-Y184 WeakPolarHBondContact O-CD1 3.24Å; L180-Y184 PolarHBondContact O-N 3.23Å; L180-L525 HydrophobicContact CD2-CD2 4.34Å; L180-A529 HydrophobicContact CB-CB 3.82Å; L180-A529 HydrophobicContact CD1-CB 3.89Å; L180-L622 HydrophobicContact CD1-CD2 4.15Å
181	T	92.5	Very high	92.6	Very high	13 Å²	13	15.1 Å²	15.1	8%	0.08	7%	0.073	C	C	.	.	H	α-helix	trans	-61.5	-48.3	173.1	-57.6	0	0	0	0	111.1	T177 I179 L183 Y184 Y185 L474	T177-T181 WeakPolarHBondContact O-CB 3Å; T177-T181 PolarHBondContact O-N 3.45Å; T177-T181 PolarHBondContact O-OG1 3.05Å; T177-T181 VanDerWaalsContact O-OG1 3.05Å; I179-T181 PolarHBondContact O-N 2.77Å; T181-L183 PolarHBondContact O-N 2.94Å; T181-L183 VanDerWaalsContact O-N 3.16Å; T181-Y184 HydrophobicContact CG2-CE1 4.16Å; T181-Y184 PolarHBondContact O-N 3.49Å; T181-Y185 HydrophobicContact CG2-CD2 4.42Å; T181-Y185 WeakPolarHBondContact O-CB 3.49Å; T181-Y185 PolarHBondContact O-N 3.05Å; T181-L474 HydrophobicContact CG2-CD1 3.57Å; T181-L474 HydrophobicContact CG2-CD2 4.29Å
182	A	95.6	Very high	93.1	Very high	3 Å²	3	15.1 Å²	15.1	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-58.9	-30.3	178	0	0	0	0	0	113.4	S178 I179 N186 W296 Q471 L474 V475	S178-A182 WeakPolarHBondContact O-CB 3.35Å; S178-A182 PolarHBondContact O-N 2.9Å; I179-A182 PolarHBondContact O-N 3.34Å; A182-N186 WeakPolarHBondContact O-CB 3.43Å; A182-N186 PolarHBondContact O-N 2.91Å; A182-W296 HydrophobicContact CB-CH2 4.49Å; A182-Q471 PolarHBondContact O-NE2 2.74Å; A182-Q471 PolarHBondContact O-OE1 3.22Å; A182-L474 HydrophobicContact CB-CB 3.96Å; A182-V475 HydrophobicContact CB-CG2 3.99Å
183	L	95.7	Very high	93.8	Very high	7 Å²	7	10.4 Å²	10.4	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-64.7	-59.1	176.4	-71	171	0	0	0	110.7	I179 L180 T181 V187 S506 I509 M513	I179-L183 HydrophobicContact CG2-CD1 4.31Å; I179-L183 HydrophobicContact CG2-CG 4.48Å; I179-L183 VanDerWaalsContact O-CG 3.3Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.1Å; L180-L183 HydrophobicContact CD2-CD1 4.32Å; L180-L183 WeakPolarHBondContact O-CB 3.27Å; L180-L183 PolarHBondContact O-N 3.48Å; T181-L183 PolarHBondContact O-N 2.94Å; T181-L183 VanDerWaalsContact O-N 3.16Å; L183-V187 PolarHBondContact O-N 3.28Å; L183-S506 WeakPolarHBondContact CD2-O 3.33Å; L183-I509 HydrophobicContact CD1-CB 4.45Å; L183-I509 HydrophobicContact CD1-CG2 3.66Å; L183-I509 HydrophobicContact CD2-CB 3.93Å; L183-I509 HydrophobicContact CD2-CG2 3.98Å; L183-I509 HydrophobicContact CG-CG2 4.48Å; L183-M513 HydrophobicContact CB-CE 3.73Å
184	Y	93.8	Very high	94.5	Very high	3 Å²	3	10.9 Å²	10.9	1%	0.012	6%	0.056	C	C	.	.	H	α-helix	trans	-76.8	-31.8	-172.9	76.2	-107.7	0	0	0	112.7	L180 T181 N186 V187 V188 L522 L525 D526 G530	L180-Y184 WeakPolarHBondContact O-CD1 3.24Å; L180-Y184 PolarHBondContact O-N 3.23Å; T181-Y184 HydrophobicContact CG2-CE1 4.16Å; T181-Y184 PolarHBondContact O-N 3.49Å; Y184-N186 VanDerWaalsContact C-N 3.29Å; Y184-N186 PolarHBondContact O-N 3.47Å; Y184-V187 WeakPolarHBondContact O-CB 3.37Å; Y184-V187 PolarHBondContact O-N 3.35Å; Y184-V187 VanDerWaalsContact O-N 3.08Å; Y184-V188 PolarHBondContact O-N 2.97Å; Y184-L522 HydrophobicContact CD2-CG 4.44Å; Y184-L525 HydrophobicContact CD1-CB 3.88Å; Y184-L525 HydrophobicContact CE1-CB 4.49Å; Y184-D526 HydrophobicContact CD2-CB 4.37Å; Y184-D526 HydrophobicContact CE1-CB 4.33Å; Y184-D526 HydrophobicContact CE2-CB 3.9Å; Y184-D526 WeakPolarHBondContact CE2-OD1 3.29Å; Y184-D526 PolarHBondContact OH-OD1 3.15Å; Y184-G530 WeakPolarHBondContact OH-CA 3.38Å
185	Y	94	Very high	94.9	Very high	11 Å²	11	10.9 Å²	10.9	4%	0.043	6%	0.056	C	C	.	.	H	α-helix	trans	-64.1	-36.6	177.7	-137.7	-108.6	0	0	0	111.3	L90 T181 V187 V188 I189	L90-Y185 HydrophobicContact CD1-CD1 4.43Å; L90-Y185 HydrophobicContact CD1-CE1 3.92Å; L90-Y185 HydrophobicContact CG-CE1 4.12Å; L90-Y185 PolarHBondContact N-OH 3.33Å; T181-Y185 HydrophobicContact CG2-CD2 4.42Å; T181-Y185 WeakPolarHBondContact O-CB 3.49Å; T181-Y185 PolarHBondContact O-N 3.05Å; Y185-V187 VanDerWaalsContact C-N 3.28Å; Y185-V187 PolarHBondContact O-N 2.87Å; Y185-V188 WeakPolarHBondContact O-CB 3.46Å; Y185-V188 PolarHBondContact O-N 3.49Å; Y185-I189 WeakPolarHBondContact O-CG1 3.41Å; Y185-I189 PolarHBondContact O-N 2.9Å
186	N	97.3	Very high	95.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-70.3	-25.8	175.3	-147.1	40	0	0	0	113	A182 Y184 I189 S190 L292 A295 W296	A182-N186 WeakPolarHBondContact O-CB 3.43Å; A182-N186 PolarHBondContact O-N 2.91Å; Y184-N186 VanDerWaalsContact C-N 3.29Å; Y184-N186 PolarHBondContact O-N 3.47Å; N186-I189 PolarHBondContact O-N 3.48Å; N186-S190 PolarHBondContact O-N 2.88Å; N186-L292 HydrophobicContact CB-CD1 4.21Å; N186-A295 WeakPolarHBondContact OD1-CB 3.29Å; N186-W296 HydrophobicContact CB-CZ2 4Å; N186-W296 PolarHBondContact ND2-N 3.16Å; N186-W296 PolarHBondContact ND2-NE1 3.02Å; N186-W296 VanDerWaalsContact ND2-NE1 3.11Å
187	V	97.2	Very high	95.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.9	-41.5	170.6	176.8	0	0	0	0	110.2	L183 Y184 Y185 I189 S190 W191 L292 M513 L522	L183-V187 PolarHBondContact O-N 3.28Å; Y184-V187 WeakPolarHBondContact O-CB 3.37Å; Y184-V187 PolarHBondContact O-N 3.35Å; Y184-V187 VanDerWaalsContact O-N 3.08Å; Y185-V187 VanDerWaalsContact C-N 3.28Å; Y185-V187 PolarHBondContact O-N 2.87Å; V187-I189 VanDerWaalsContact C-N 3.31Å; V187-I189 PolarHBondContact O-N 2.89Å; V187-S190 WeakPolarHBondContact O-CA 3.36Å; V187-S190 WeakPolarHBondContact O-CB 3.4Å; V187-S190 PolarHBondContact O-N 2.71Å; V187-S190 PolarHBondContact O-OG 3.22Å; V187-W191 HydrophobicContact CG1-CZ2 3.92Å; V187-W191 PolarHBondContact O-N 2.86Å; V187-L292 HydrophobicContact CG2-CD1 3.94Å; V187-L292 HydrophobicContact CG2-CD2 4.37Å; V187-M513 HydrophobicContact CG1-CB 4.27Å; V187-M513 HydrophobicContact CG2-CB 3.87Å; V187-M513 HydrophobicContact CG2-CE 3.86Å; V187-M513 HydrophobicContact CG2-SD 4.33Å; V187-L522 HydrophobicContact CB-CD1 4.09Å; V187-L522 HydrophobicContact CG1-CD1 3.96Å
188	V	95.6	Very high	96.1	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-59.2	-42.6	172.2	179.2	0	0	0	0	111.2	L90 W94 Y184 Y185 S190 W191 A192 F439 L522	L90-V188 HydrophobicContact CD1-CB 4.46Å; L90-V188 HydrophobicContact CD1-CG1 3.67Å; W94-V188 HydrophobicContact CH2-CG1 4.06Å; W94-V188 HydrophobicContact CH2-CG2 4.29Å; W94-V188 HydrophobicContact CZ3-CG1 4.14Å; Y184-V188 PolarHBondContact O-N 2.97Å; Y185-V188 WeakPolarHBondContact O-CB 3.46Å; Y185-V188 PolarHBondContact O-N 3.49Å; V188-S190 VanDerWaalsContact C-N 3.3Å; V188-S190 PolarHBondContact O-N 3.23Å; V188-W191 HydrophobicContact CG2-CE3 4.4Å; V188-W191 HydrophobicContact CG2-CZ3 4.27Å; V188-W191 PolarHBondContact O-N 3.46Å; V188-A192 PolarHBondContact O-N 3.38Å; V188-A192 VanDerWaalsContact O-N 3.15Å; V188-F439 HydrophobicContact CG1-CE2 3.94Å; V188-F439 HydrophobicContact CG1-CZ 4.07Å; V188-L522 HydrophobicContact CG2-CD1 3.99Å
189	I	97.2	Very high	96.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-39.5	173.2	-63.5	167	0	0	0	110.7	Y185 N186 V187 W191 A192 V193 A295 I464 G467 I468 Q471	Y185-I189 WeakPolarHBondContact O-CG1 3.41Å; Y185-I189 PolarHBondContact O-N 2.9Å; N186-I189 PolarHBondContact O-N 3.48Å; V187-I189 VanDerWaalsContact C-N 3.31Å; V187-I189 PolarHBondContact O-N 2.89Å; I189-W191 VanDerWaalsContact C-N 3.32Å; I189-W191 PolarHBondContact O-N 3.16Å; I189-A192 WeakPolarHBondContact O-CB 3.09Å; I189-A192 PolarHBondContact O-N 2.98Å; I189-A192 VanDerWaalsContact O-N 3.11Å; I189-V193 HydrophobicContact CG2-CG2 4.44Å; I189-V193 WeakPolarHBondContact O-CG2 3.39Å; I189-V193 PolarHBondContact O-N 2.89Å; I189-A295 HydrophobicContact CG2-CB 4.08Å; I189-I464 HydrophobicContact CG2-CG2 4.4Å; I189-G467 WeakPolarHBondContact CD1-O 3.34Å; I189-I468 HydrophobicContact CD1-CG1 4.38Å; I189-Q471 HydrophobicContact CD1-CB 3.9Å; I189-Q471 HydrophobicContact CD1-CG 4.24Å
190	S	98.1	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-36.7	177.1	84.1	0	0	0	0	112.8	N186 V187 V188 V193 Y194 C291	N186-S190 PolarHBondContact O-N 2.88Å; V187-S190 WeakPolarHBondContact O-CA 3.36Å; V187-S190 WeakPolarHBondContact O-CB 3.4Å; V187-S190 PolarHBondContact O-N 2.71Å; V187-S190 PolarHBondContact O-OG 3.22Å; V188-S190 VanDerWaalsContact C-N 3.3Å; V188-S190 PolarHBondContact O-N 3.23Å; S190-V193 WeakPolarHBondContact O-CB 3.35Å; S190-V193 PolarHBondContact O-N 3.15Å; S190-Y194 PolarHBondContact O-N 2.88Å; S190-C291 WeakPolarHBondContact O-CB 3.47Å
191	W	97.8	Very high	96.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-43.3	172.1	-59	-18.9	0	0	0	110.4	V187 V188 I189 V193 Y194 Y195 F267 L272 P435 F439 L522	V187-W191 HydrophobicContact CG1-CZ2 3.92Å; V187-W191 PolarHBondContact O-N 2.86Å; V188-W191 HydrophobicContact CG2-CE3 4.4Å; V188-W191 HydrophobicContact CG2-CZ3 4.27Å; V188-W191 PolarHBondContact O-N 3.46Å; I189-W191 VanDerWaalsContact C-N 3.32Å; I189-W191 PolarHBondContact O-N 3.16Å; W191-V193 VanDerWaalsContact C-N 3.33Å; W191-V193 PolarHBondContact O-N 3.25Å; W191-Y194 WeakPolarHBondContact O-CB 3.26Å; W191-Y194 PolarHBondContact O-N 2.9Å; W191-Y194 VanDerWaalsContact O-N 3.15Å; W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.14Å; W191-Y195 PolarHBondContact O-N 3.28Å; W191-F267 HydrophobicContact CD2-CE2 4.2Å; W191-F267 HydrophobicContact CD2-CZ 4.34Å; W191-F267 HydrophobicContact CE3-CE2 4.06Å; W191-F267 AromaticContact CE3-CZ 3.88Å; W191-F267 HydrophobicContact CE3-CZ 3.88Å; W191-F267 HydrophobicContact CH2-CZ 4.31Å; W191-F267 HydrophobicContact CZ3-CE2 4.5Å; W191-F267 AromaticContact CZ3-CZ 3.87Å; W191-F267 HydrophobicContact CZ3-CZ 3.87Å; W191-L272 HydrophobicContact CD2-CD2 4.31Å; W191-L272 VanDerWaalsContact CE2-CD2 3.49Å; W191-L272 HydrophobicContact CH2-CD2 4.25Å; W191-L272 HydrophobicContact CZ2-CD2 3.46Å; W191-L272 VanDerWaalsContact CZ2-CD2 3.46Å; W191-P435 HydrophobicContact CZ3-CB 4.14Å; W191-F439 HydrophobicContact CB-CD1 4.19Å; W191-F439 HydrophobicContact CB-CE1 3.64Å; W191-F439 HydrophobicContact CB-CE2 4.23Å; W191-F439 HydrophobicContact CB-CZ 3.65Å; W191-F439 AromaticContact CE3-CD2 3.93Å; W191-F439 HydrophobicContact CE3-CD2 3.93Å; W191-F439 AromaticContact CE3-CE2 3.63Å; W191-F439 HydrophobicContact CE3-CE2 3.63Å; W191-F439 HydrophobicContact CE3-CZ 4.21Å; W191-F439 HydrophobicContact CZ3-CE2 4.44Å; W191-L522 HydrophobicContact CH2-CD1 3.57Å; W191-L522 HydrophobicContact CH2-CD2 4.04Å; W191-L522 HydrophobicContact CH2-CG 4.33Å; W191-L522 HydrophobicContact CZ2-CD1 3.88Å; W191-L522 HydrophobicContact CZ3-CD1 4.22Å
192	A	97.6	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-38.1	175.8	0	0	0	0	0	112.8	V188 I189 Y195 L196 F439 F460 V463 I464	V188-A192 PolarHBondContact O-N 3.38Å; V188-A192 VanDerWaalsContact O-N 3.15Å; I189-A192 WeakPolarHBondContact O-CB 3.09Å; I189-A192 PolarHBondContact O-N 2.98Å; I189-A192 VanDerWaalsContact O-N 3.11Å; A192-Y195 PolarHBondContact O-N 3.25Å; A192-L196 WeakPolarHBondContact O-CB 3.31Å; A192-L196 PolarHBondContact O-N 3.38Å; A192-F439 HydrophobicContact CB-CE1 4.17Å; A192-F439 HydrophobicContact CB-CZ 4.36Å; A192-F460 HydrophobicContact CB-CD1 4.29Å; A192-V463 HydrophobicContact CB-CB 4.17Å; A192-V463 HydrophobicContact CB-CG1 3.48Å; A192-V463 VanDerWaalsContact CB-CG1 3.48Å; A192-I464 HydrophobicContact CB-CD1 4.44Å; A192-I464 HydrophobicContact CB-CG1 3.7Å
193	V	98.4	Very high	96.4	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-46.6	171.5	169.8	0	0	0	0	110.6	I189 S190 W191 Y195 L196 T197 C291 L294 I464	I189-V193 HydrophobicContact CG2-CG2 4.44Å; I189-V193 WeakPolarHBondContact O-CG2 3.39Å; I189-V193 PolarHBondContact O-N 2.89Å; S190-V193 WeakPolarHBondContact O-CB 3.35Å; S190-V193 PolarHBondContact O-N 3.15Å; W191-V193 VanDerWaalsContact C-N 3.33Å; W191-V193 PolarHBondContact O-N 3.25Å; V193-Y195 PolarHBondContact O-N 3.13Å; V193-L196 PolarHBondContact O-N 3.25Å; V193-T197 WeakPolarHBondContact O-CG2 3.45Å; V193-T197 PolarHBondContact O-N 3.22Å; V193-T197 PolarHBondContact O-OG1 3.02Å; V193-C291 HydrophobicContact CB-CB 4.22Å; V193-C291 HydrophobicContact CG1-CB 3.98Å; V193-L294 HydrophobicContact CG1-CD2 3.93Å; V193-I464 HydrophobicContact CG2-CD1 3.88Å; V193-I464 HydrophobicContact CG2-CG1 4.15Å
194	Y	98.3	Very high	96.4	Very high	17 Å²	17	28.1 Å²	28.1	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-51.4	177.8	-173.8	-78.9	0	0	0	111	S190 W191 L196 T197 A198 Y266 R270 V271 E287 L288	S190-Y194 PolarHBondContact O-N 2.88Å; W191-Y194 WeakPolarHBondContact O-CB 3.26Å; W191-Y194 PolarHBondContact O-N 2.9Å; W191-Y194 VanDerWaalsContact O-N 3.15Å; Y194-L196 PolarHBondContact O-N 3.16Å; Y194-T197 PolarHBondContact O-N 3.44Å; Y194-T197 PolarHBondContact O-OG1 3.19Å; Y194-A198 WeakPolarHBondContact O-CB 3.3Å; Y194-A198 PolarHBondContact O-N 3.44Å; Y194-Y266 HydrophobicContact CE1-CE1 4.28Å; Y194-Y266 AromaticContact CE1-CZ 3.96Å; Y194-Y266 WeakPolarHBondContact CE1-OH 3.48Å; Y194-R270 PolarHBondContact OH-NE 3.04Å; Y194-R270 PolarHBondContact OH-NH1 3.07Å; Y194-R270 PolarHBondContact OH-NH2 3.34Å; Y194-V271 HydrophobicContact CD1-CG1 4.17Å; Y194-V271 HydrophobicContact CD1-CG2 3.87Å; Y194-V271 HydrophobicContact CE1-CB 4.45Å; Y194-V271 HydrophobicContact CE1-CG1 4.49Å; Y194-V271 HydrophobicContact CE1-CG2 3.64Å; Y194-V271 HydrophobicContact CG-CG1 4.41Å; Y194-E287 HydrophobicContact CD2-CB 4.19Å; Y194-E287 HydrophobicContact CE2-CB 3.69Å; Y194-E287 HydrophobicContact CE2-CG 4.44Å; Y194-L288 HydrophobicContact CD2-CD2 4.03Å; Y194-L288 HydrophobicContact CG-CD2 4.28Å
195	Y	98.3	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-37.3	177.7	-87.1	-99.4	0	0	0	113.2	W191 A192 V193 A198 S199 W206 Y266 F267 V271 F439 P443 F460	W191-Y195 VanDerWaalsContact O-CD2 3.32Å; W191-Y195 WeakPolarHBondContact O-CD2 3.14Å; W191-Y195 PolarHBondContact O-N 3.28Å; A192-Y195 PolarHBondContact O-N 3.25Å; V193-Y195 PolarHBondContact O-N 3.13Å; Y195-A198 CarbonylContact O-C 3.58Å; Y195-A198 PolarHBondContact O-N 2.88Å; Y195-S199 WeakPolarHBondContact O-CB 3.43Å; Y195-S199 PolarHBondContact O-N 2.98Å; Y195-S199 PolarHBondContact O-OG 2.76Å; Y195-W206 HydrophobicContact CD1-CD2 4.33Å; Y195-W206 AromaticContact CD1-CE3 3.94Å; Y195-W206 HydrophobicContact CD1-CE3 3.94Å; Y195-W206 AromaticContact CD1-CH2 3.5Å; Y195-W206 HydrophobicContact CD1-CH2 3.5Å; Y195-W206 AromaticContact CD1-CZ2 3.91Å; Y195-W206 HydrophobicContact CD1-CZ2 3.91Å; Y195-W206 AromaticContact CD1-CZ3 3.51Å; Y195-W206 HydrophobicContact CD1-CZ3 3.51Å; Y195-W206 HydrophobicContact CE1-CD2 4.11Å; Y195-W206 AromaticContact CE1-CE3 3.92Å; Y195-W206 HydrophobicContact CE1-CE3 3.92Å; Y195-W206 HydrophobicContact CE1-CH2 4.24Å; Y195-W206 HydrophobicContact CE1-CZ2 4.4Å; Y195-W206 AromaticContact CE1-CZ3 3.99Å; Y195-W206 HydrophobicContact CE1-CZ3 3.99Å; Y195-W206 HydrophobicContact CG-CH2 4.38Å; Y195-W206 HydrophobicContact CG-CZ3 4.35Å; Y195-Y266 HydrophobicContact CD1-CE1 4.26Å; Y195-Y266 AromaticContact CE1-CD1 3.9Å; Y195-Y266 HydrophobicContact CE1-CD1 3.9Å; Y195-Y266 AromaticContact CE1-CE1 3.79Å; Y195-Y266 HydrophobicContact CE1-CE1 3.79Å; Y195-Y266 HydrophobicContact CE2-CE1 4.28Å; Y195-Y266 AromaticContact CZ-CD1 3.77Å; Y195-Y266 AromaticContact CZ-CE1 3.8Å; Y195-F267 HydrophobicContact CE2-CD2 4Å; Y195-F267 WeakPolarHBondContact OH-CB 3.33Å; Y195-F267 WeakPolarHBondContact OH-CD2 3.4Å; Y195-V271 HydrophobicContact CE2-CG1 4.38Å; Y195-V271 HydrophobicContact CE2-CG2 3.83Å; Y195-F439 AromaticContact CD2-CD1 3.72Å; Y195-F439 HydrophobicContact CD2-CD1 3.72Å; Y195-F439 HydrophobicContact CD2-CE1 4.26Å; Y195-F439 HydrophobicContact CE2-CB 4.14Å; Y195-F439 AromaticContact CE2-CD1 3.65Å; Y195-F439 HydrophobicContact CE2-CD1 3.65Å; Y195-F439 HydrophobicContact CE2-CG 4.28Å; Y195-F439 HydrophobicContact CG-CD1 4.38Å; Y195-F439 PolarHBondContact OH-O 3.08Å; Y195-P443 HydrophobicContact CD1-CG 4.41Å; Y195-P443 HydrophobicContact CE1-CB 4.1Å; Y195-P443 HydrophobicContact CE1-CG 4.07Å; Y195-F460 VanDerWaalsContact CB-CE1 3.46Å; Y195-F460 VanDerWaalsContact CB-CE2 3.49Å; Y195-F460 AromaticContact CD1-CE1 3.92Å; Y195-F460 HydrophobicContact CD1-CE1 3.92Å; Y195-F460 AromaticContact CD1-CE2 3.55Å; Y195-F460 HydrophobicContact CD1-CE2 3.55Å; Y195-F460 AromaticContact CD1-CZ 3.14Å; Y195-F460 HydrophobicContact CD1-CZ 3.14Å; Y195-F460 HydrophobicContact CD2-CE1 4.32Å; Y195-F460 HydrophobicContact CD2-CZ 4.32Å; Y195-F460 AromaticContact CE1-CZ 3.94Å; Y195-F460 HydrophobicContact CE1-CZ 3.94Å; Y195-F460 HydrophobicContact CG-CD1 4.34Å; Y195-F460 AromaticContact CG-CE1 3.66Å; Y195-F460 HydrophobicContact CG-CE1 3.66Å; Y195-F460 AromaticContact CG-CE2 3.87Å; Y195-F460 HydrophobicContact CG-CE2 3.87Å; Y195-F460 AromaticContact CG-CZ 3.36Å; Y195-F460 HydrophobicContact CG-CZ 3.36Å
196	L	97.9	Very high	96.5	Very high	31 Å²	31	28.9 Å²	28.9	16%	0.162	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-46.7	174.3	177.7	60.3	0	0	0	110.7	A192 V193 Y194 A198 S199 F200 C457 F460 F461 I464	A192-L196 WeakPolarHBondContact O-CB 3.31Å; A192-L196 PolarHBondContact O-N 3.38Å; V193-L196 PolarHBondContact O-N 3.25Å; Y194-L196 PolarHBondContact O-N 3.16Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 2.89Å; L196-S199 WeakPolarHBondContact O-CB 3.22Å; L196-S199 PolarHBondContact O-N 2.99Å; L196-S199 VanDerWaalsContact O-N 3.13Å; L196-F200 HydrophobicContact CD1-CE2 4.14Å; L196-F200 HydrophobicContact CD1-CZ 4.49Å; L196-F200 HydrophobicContact CG-CE2 4.2Å; L196-F200 WeakPolarHBondContact O-CD2 3.37Å; L196-F200 WeakPolarHBondContact O-CE2 3.43Å; L196-C457 HydrophobicContact CD1-CB 4.11Å; L196-F460 HydrophobicContact CB-CB 3.98Å; L196-F461 HydrophobicContact CD2-CD2 4.38Å; L196-I464 HydrophobicContact CB-CD1 4.08Å; L196-I464 HydrophobicContact CD2-CD1 3.54Å; L196-I464 HydrophobicContact CG-CD1 4.45Å
197	T	97.6	Very high	96.3	Very high	84 Å²	84	32.6 Å²	32.6	52%	0.515	18%	0.181	S	C	.	.	H	α-helix	trans	-63.1	-39.6	177.3	60.9	0	0	0	0	112.3	V193 Y194 S199 F200	V193-T197 WeakPolarHBondContact O-CG2 3.45Å; V193-T197 PolarHBondContact O-N 3.22Å; V193-T197 PolarHBondContact O-OG1 3.02Å; Y194-T197 PolarHBondContact O-N 3.44Å; Y194-T197 PolarHBondContact O-OG1 3.19Å; T197-S199 PolarHBondContact O-N 3.36Å; T197-F200 PolarHBondContact O-N 3.08Å
198	A	97.4	Very high	95.9	Very high	17 Å²	17	35.3 Å²	35.3	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-72.7	-11.7	176.6	0	0	0	0	0	113.9	Y194 Y195 L196 F200 T201 P205 W206 Y266	Y194-A198 WeakPolarHBondContact O-CB 3.3Å; Y194-A198 PolarHBondContact O-N 3.44Å; Y195-A198 CarbonylContact O-C 3.58Å; Y195-A198 PolarHBondContact O-N 2.88Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 2.89Å; A198-F200 VanDerWaalsContact C-N 3.34Å; A198-T201 PolarHBondContact O-OG1 3.44Å; A198-P205 HydrophobicContact CB-CG 4.1Å; A198-P205 WeakPolarHBondContact O-CD 3.37Å; A198-W206 HydrophobicContact CB-CZ3 3.85Å; A198-Y266 VanDerWaalsContact CB-OH 3.27Å; A198-Y266 WeakPolarHBondContact CB-OH 3.46Å
199	S	97.8	Very high	95.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.9	176.5	-60.1	0	0	0	0	113	Y195 L196 T197 T201 P453 S456 C457	Y195-S199 WeakPolarHBondContact O-CB 3.43Å; Y195-S199 PolarHBondContact O-N 2.98Å; Y195-S199 PolarHBondContact O-OG 2.76Å; L196-S199 WeakPolarHBondContact O-CB 3.22Å; L196-S199 PolarHBondContact O-N 2.99Å; L196-S199 VanDerWaalsContact O-N 3.13Å; T197-S199 PolarHBondContact O-N 3.36Å; S199-T201 PolarHBondContact O-N 3.37Å; S199-P453 WeakPolarHBondContact O-CB 3.45Å; S199-S456 WeakPolarHBondContact OG-CB 3.24Å; S199-S456 PolarHBondContact OG-OG 3.38Å; S199-C457 WeakPolarHBondContact CB-SG 3.49Å
200	F	96.6	Very high	95.1	Very high	152 Å²	152	41.1 Å²	41.1	67%	0.667	23%	0.229	S	C	*	.	S	Bend	trans	-81.4	54.9	176.2	-67.1	-81.1	0	0	0	112	L196 T197 A198	L196-F200 HydrophobicContact CD1-CE2 4.14Å; L196-F200 HydrophobicContact CD1-CZ 4.49Å; L196-F200 HydrophobicContact CG-CE2 4.2Å; L196-F200 WeakPolarHBondContact O-CD2 3.37Å; L196-F200 WeakPolarHBondContact O-CE2 3.43Å; T197-F200 PolarHBondContact O-N 3.08Å; A198-F200 VanDerWaalsContact C-N 3.34Å
201	T	94.3	Very high	94.7	Very high	61 Å²	61	43.2 Å²	43.2	37%	0.374	24%	0.24	S	C	.	.	S	Bend	trans	-132.4	165.7	178.6	57.4	0	0	0	0	110.4	A198 S199 D203 P453	A198-T201 PolarHBondContact O-OG1 3.44Å; S199-T201 PolarHBondContact O-N 3.37Å; T201-D203 VanDerWaalsContact CB-O 3.32Å; T201-D203 WeakPolarHBondContact CB-O 3.35Å; T201-D203 PolarHBondContact OG1-O 3.21Å; T201-P453 WeakPolarHBondContact O-CB 3.39Å; T201-P453 WeakPolarHBondContact O-CG 3.42Å
202	S	91.9	Very high	94.4	Very high	108 Å²	108	52.8 Å²	52.8	76%	0.755	28%	0.276	S	S	*	.	S	Bend	trans	-70.8	-42.9	174.8	54.1	0	0	0	0	112	P453	S202-P453 WeakPolarHBondContact O-CG 3.3Å
203	D	91.7	Very high	94.2	Very high	90 Å²	90	54.2 Å²	54.2	48%	0.481	28%	0.282	S	S	.	.	S	Bend	trans	-119.3	137.9	172	-74.2	-77.2	0	0	0	108.7	T201 K207	T201-D203 VanDerWaalsContact CB-O 3.32Å; T201-D203 WeakPolarHBondContact CB-O 3.35Å; T201-D203 PolarHBondContact OG1-O 3.21Å; D203-K207 IonicContact OD1-NZ 3.16Å; D203-K207 PolarHBondContact OD1-NZ 3.38Å
204	L	95.9	Very high	93.9	Very high	4 Å²	4	55 Å²	55	2%	0.021	29%	0.286	C	S	.	.			trans	-64.1	132.8	177.5	-65.9	175.8	0	0	0	109.7	W206 K207 T447 A452 P453	L204-W206 HydrophobicContact CB-CD2 4.29Å; L204-W206 HydrophobicContact CB-CZ2 4.13Å; L204-W206 HydrophobicContact CD1-CZ2 3.92Å; L204-W206 HydrophobicContact CD2-CH2 4.02Å; L204-W206 HydrophobicContact CD2-CZ2 3.72Å; L204-W206 HydrophobicContact CG-CZ2 4.14Å; L204-W206 PolarHBondContact O-N 3.22Å; L204-W206 VanDerWaalsContact O-N 3.13Å; L204-K207 WeakPolarHBondContact O-CB 3.48Å; L204-K207 PolarHBondContact O-N 2.94Å; L204-T447 HydrophobicContact CB-CG2 4.4Å; L204-T447 HydrophobicContact CD1-CG2 4Å; L204-A452 HydrophobicContact CD1-CB 3.76Å; L204-A452 HydrophobicContact CG-CB 4.28Å; L204-P453 HydrophobicContact CD2-CG 4.46Å
205	P	95.3	Very high	93.5	Very high	30 Å²	30	55.7 Å²	55.7	20%	0.195	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.2	-171.9	22.4	-30.3	0	0	0	113.5	A198 K207 W213 Y266	A198-P205 HydrophobicContact CB-CG 4.1Å; A198-P205 WeakPolarHBondContact O-CD 3.37Å; P205-K207 VanDerWaalsContact C-N 3.33Å; P205-W213 HydrophobicContact CB-CH2 4.37Å; P205-Y266 HydrophobicContact CB-CE2 3.97Å; P205-Y266 HydrophobicContact CG-CE2 3.93Å
206	W	94.9	Very high	92.7	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	10.3	175.8	55.4	80.7	0	0	0	114.1	Y195 A198 L204 V263 Y266 P443 T447 S456 F460	Y195-W206 HydrophobicContact CD1-CD2 4.33Å; Y195-W206 AromaticContact CD1-CE3 3.94Å; Y195-W206 HydrophobicContact CD1-CE3 3.94Å; Y195-W206 AromaticContact CD1-CH2 3.5Å; Y195-W206 HydrophobicContact CD1-CH2 3.5Å; Y195-W206 AromaticContact CD1-CZ2 3.91Å; Y195-W206 HydrophobicContact CD1-CZ2 3.91Å; Y195-W206 AromaticContact CD1-CZ3 3.51Å; Y195-W206 HydrophobicContact CD1-CZ3 3.51Å; Y195-W206 HydrophobicContact CE1-CD2 4.11Å; Y195-W206 AromaticContact CE1-CE3 3.92Å; Y195-W206 HydrophobicContact CE1-CE3 3.92Å; Y195-W206 HydrophobicContact CE1-CH2 4.24Å; Y195-W206 HydrophobicContact CE1-CZ2 4.4Å; Y195-W206 AromaticContact CE1-CZ3 3.99Å; Y195-W206 HydrophobicContact CE1-CZ3 3.99Å; Y195-W206 HydrophobicContact CG-CH2 4.38Å; Y195-W206 HydrophobicContact CG-CZ3 4.35Å; A198-W206 HydrophobicContact CB-CZ3 3.85Å; L204-W206 HydrophobicContact CB-CD2 4.29Å; L204-W206 HydrophobicContact CB-CZ2 4.13Å; L204-W206 HydrophobicContact CD1-CZ2 3.92Å; L204-W206 HydrophobicContact CD2-CH2 4.02Å; L204-W206 HydrophobicContact CD2-CZ2 3.72Å; L204-W206 HydrophobicContact CG-CZ2 4.14Å; L204-W206 PolarHBondContact O-N 3.22Å; L204-W206 VanDerWaalsContact O-N 3.13Å; W206-V263 HydrophobicContact CB-CB 4.38Å; W206-V263 HydrophobicContact CB-CG1 4.26Å; W206-V263 HydrophobicContact CB-CG2 4.01Å; W206-V263 HydrophobicContact CG-CG1 4.19Å; W206-V263 HydrophobicContact CG-CG2 4.12Å; W206-V263 VanDerWaalsContact O-CG2 3.3Å; W206-V263 WeakPolarHBondContact O-CG2 3.22Å; W206-Y266 HydrophobicContact CB-CD1 3.9Å; W206-Y266 HydrophobicContact CB-CD2 4.07Å; W206-Y266 HydrophobicContact CB-CG 3.59Å; W206-Y266 HydrophobicContact CD2-CD1 4.3Å; W206-Y266 HydrophobicContact CD2-CE1 4.28Å; W206-Y266 AromaticContact CE3-CD1 3.74Å; W206-Y266 HydrophobicContact CE3-CD1 3.74Å; W206-Y266 AromaticContact CE3-CE1 3.31Å; W206-Y266 HydrophobicContact CE3-CE1 3.31Å; W206-Y266 HydrophobicContact CE3-CE2 4.16Å; W206-Y266 HydrophobicContact CE3-CG 4.32Å; W206-Y266 AromaticContact CE3-CZ 3.53Å; W206-Y266 HydrophobicContact CG-CD1 4.42Å; W206-Y266 AromaticContact CZ3-CE1 3.81Å; W206-Y266 HydrophobicContact CZ3-CE1 3.81Å; W206-Y266 AromaticContact CZ3-CZ 3.95Å; W206-P443 HydrophobicContact CZ2-CB 4.24Å; W206-P443 PolarHBondContact NE1-O 3.24Å; W206-T447 VanDerWaalsContact CD1-CG2 3.45Å; W206-S456 WeakPolarHBondContact CZ2-OG 3.26Å; W206-F460 HydrophobicContact CH2-CE2 4.25Å; W206-F460 HydrophobicContact CZ2-CE2 4.12Å
207	K	92.2	Very high	92	Very high	78 Å²	78	61.6 Å²	61.6	34%	0.339	32%	0.323	S	S	.	.	S	Bend	trans	-72.3	-38.7	-178	-179.6	175.9	169.6	-177	0	113	D203 L204 P205 T447	D203-K207 IonicContact OD1-NZ 3.16Å; D203-K207 PolarHBondContact OD1-NZ 3.38Å; L204-K207 WeakPolarHBondContact O-CB 3.48Å; L204-K207 PolarHBondContact O-N 2.94Å; P205-K207 VanDerWaalsContact C-N 3.33Å; K207-T447 HydrophobicContact CB-CG2 4.23Å
208	T	90.1	Very high	91.4	Very high	56 Å²	56	57.7 Å²	57.7	34%	0.344	30%	0.3	S	S	.	.			trans	-123.3	166.3	-170.8	62.9	0	0	0	0	111.9	N211 N214 P262	T208-N211 PolarHBondContact O-ND2 3.26Å; T208-N214 PolarHBondContact O-OD1 3.01Å; T208-P262 WeakPolarHBondContact O-CB 3.34Å
209	C	88.8	Confident	90.9	Very high	12 Å²	12	58.4 Å²	58.4	8%	0.081	30%	0.3	C	S	.	.	S	Bend	trans	-90.4	0	175.3	-71.6	0	0	0	0	114.6	N211 N214 C218 F219 D220	C209-N211 VanDerWaalsContact C-N 3.28Å; C209-N211 PolarHBondContact O-N 3.4Å; C209-N211 VanDerWaalsContact O-N 3.12Å; C209-N214 WeakPolarHBondContact CA-OD1 3.25Å; C209-N214 VanDerWaalsContact O-CB 3.24Å; C209-N214 WeakPolarHBondContact O-CB 3.21Å; C209-N214 PolarHBondContact O-OD1 3.02Å; C209-C218 VanDerWaalsContact CA-SG 3.51Å; C209-C218 HydrophobicContact CB-CB 3.64Å; C209-C218 WeakPolarHBondContact CB-SG 3.45Å; C209-C218 WeakPolarHBondContact SG-CB 3.35Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 2.74Å; C209-F219 PolarHBondContact SG-N 3.45Å; C209-D220 HydrophobicContact CB-CB 4.45Å
210	N	85.5	Confident	90.3	Very high	112 Å²	112	59 Å²	59	60%	0.599	30%	0.303	S	S	*	.			trans	-89.8	58.1	-176.1	-171.6	21	0	0	0	111.8
211	N	91	Very high	89.6	Confident	45 Å²	45	53.8 Å²	53.8	24%	0.241	28%	0.28	C	S	.	.	S	Bend	trans	-131	157.3	176.9	-50.6	-83.3	0	0	0	111.3	T208 C209 W213 N214	T208-N211 PolarHBondContact O-ND2 3.26Å; C209-N211 VanDerWaalsContact C-N 3.28Å; C209-N211 PolarHBondContact O-N 3.4Å; C209-N211 VanDerWaalsContact O-N 3.12Å; N211-W213 HydrophobicContact CB-CD2 3.67Å; N211-W213 HydrophobicContact CB-CE3 3.87Å; N211-W213 HydrophobicContact CB-CG 4.39Å; N211-W213 HydrophobicContact CB-CH2 3.58Å; N211-W213 HydrophobicContact CB-CZ2 3.35Å; N211-W213 HydrophobicContact CB-CZ3 3.84Å; N211-W213 PolarHBondContact O-N 2.97Å; N211-W213 VanDerWaalsContact O-N 3.17Å; N211-W213 WeakPolarHBondContact OD1-CH2 3.31Å; N211-N214 VanDerWaalsContact CB-OD1 3.26Å; N211-N214 WeakPolarHBondContact CB-OD1 3.07Å; N211-N214 PolarHBondContact N-OD1 2.71Å; N211-N214 PolarHBondContact ND2-OD1 2.85Å; N211-N214 WeakPolarHBondContact O-CB 3.36Å; N211-N214 PolarHBondContact O-N 3.23Å
212	W	92.2	Very high	89	Confident	202 Å²	202	53.7 Å²	53.7	77%	0.765	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.9	-176.6	63.4	-96.8	0	0	0	114.7
213	W	93.2	Very high	88.6	Confident	31 Å²	31	51.7 Å²	51.7	12%	0.117	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.3	176	59.9	79	0	0	0	113.2	P205 N211 Y266 R269 R270	P205-W213 HydrophobicContact CB-CH2 4.37Å; N211-W213 HydrophobicContact CB-CD2 3.67Å; N211-W213 HydrophobicContact CB-CE3 3.87Å; N211-W213 HydrophobicContact CB-CG 4.39Å; N211-W213 HydrophobicContact CB-CH2 3.58Å; N211-W213 HydrophobicContact CB-CZ2 3.35Å; N211-W213 HydrophobicContact CB-CZ3 3.84Å; N211-W213 PolarHBondContact O-N 2.97Å; N211-W213 VanDerWaalsContact O-N 3.17Å; N211-W213 WeakPolarHBondContact OD1-CH2 3.31Å; W213-Y266 AromaticContact CE2-CD2 3.81Å; W213-Y266 HydrophobicContact CH2-CE2 4.46Å; W213-Y266 AromaticContact CZ2-CD2 3.67Å; W213-Y266 HydrophobicContact CZ2-CD2 3.67Å; W213-Y266 HydrophobicContact CZ2-CE2 4.03Å; W213-Y266 AromaticContact NE1-CD2 3.9Å; W213-R269 HydrophobicContact CB-CB 4.4Å; W213-R269 VanDerWaalsContact O-CD 3.22Å; W213-R269 WeakPolarHBondContact O-CD 3.42Å; W213-R270 HydrophobicContact CB-CB 4.16Å; W213-R270 HydrophobicContact CD2-CB 3.79Å; W213-R270 HydrophobicContact CD2-CG 4.01Å; W213-R270 HydrophobicContact CE3-CB 4.29Å; W213-R270 HydrophobicContact CE3-CG 4.03Å; W213-R270 HydrophobicContact CG-CB 3.71Å; W213-R270 HydrophobicContact CG-CG 4.42Å; W213-R270 HydrophobicContact CZ3-CG 4.42Å
214	N	91.6	Very high	88.3	Confident	24 Å²	24	49.6 Å²	49.6	13%	0.128	24%	0.242	C	C	.	.			trans	-76.5	147.9	-177.2	-74	122.4	0	0	0	111.3	T208 C209 N211 C218 E265	T208-N214 PolarHBondContact O-OD1 3.01Å; C209-N214 WeakPolarHBondContact CA-OD1 3.25Å; C209-N214 VanDerWaalsContact O-CB 3.24Å; C209-N214 WeakPolarHBondContact O-CB 3.21Å; C209-N214 PolarHBondContact O-OD1 3.02Å; N211-N214 VanDerWaalsContact CB-OD1 3.26Å; N211-N214 WeakPolarHBondContact CB-OD1 3.07Å; N211-N214 PolarHBondContact N-OD1 2.71Å; N211-N214 PolarHBondContact ND2-OD1 2.85Å; N211-N214 WeakPolarHBondContact O-CB 3.36Å; N211-N214 PolarHBondContact O-N 3.23Å; N214-C218 HydrophobicContact CB-CB 4.2Å; N214-C218 PolarHBondContact ND2-SG 2.97Å; N214-C218 VanDerWaalsContact ND2-SG 3.38Å; N214-E265 WeakPolarHBondContact CA-OE2 3.37Å; N214-E265 WeakPolarHBondContact CB-OE2 3.37Å; N214-E265 PolarHBondContact ND2-OE2 3.47Å
215	T	89.1	Confident	87.7	Confident	32 Å²	32	53.8 Å²	53.8	20%	0.196	26%	0.26	C	S	.	.			trans	-95.3	170.5	174.5	74.9	0	0	0	0	112.1	N217 C218 E265 R269	T215-N217 PolarHBondContact O-N 3.24Å; T215-N217 PolarHBondContact OG1-N 3.41Å; T215-N217 VanDerWaalsContact OG1-N 3.09Å; T215-C218 WeakPolarHBondContact O-CB 3.5Å; T215-C218 PolarHBondContact O-N 3.3Å; T215-E265 PolarHBondContact N-OE2 2.97Å; T215-E265 PolarHBondContact OG1-OE1 3.43Å; T215-R269 VanDerWaalsContact CG2-NH2 3.33Å
216	D	81.8	Confident	87.3	Confident	90 Å²	90	56.1 Å²	56.1	48%	0.481	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.9	170.1	-65.6	-16.1	0	0	0	114.6	C218 K236	D216-C218 VanDerWaalsContact C-N 3.34Å; D216-K236 HydrophobicContact CB-CD 3.89Å; D216-K236 VanDerWaalsContact CB-CE 3.44Å; D216-K236 HydrophobicContact CB-CG 3.86Å; D216-K236 VanDerWaalsContact CG-CD 3.44Å; D216-K236 WeakPolarHBondContact OD1-CD 3.32Å; D216-K236 WeakPolarHBondContact OD1-CE 3.44Å; D216-K236 IonicContact OD1-NZ 2.78Å; D216-K236 PolarHBondContact OD1-NZ 3.32Å; D216-K236 WeakPolarHBondContact OD2-CE 3.36Å; D216-K236 IonicContact OD2-NZ 2.68Å; D216-K236 PolarHBondContact OD2-NZ 3.26Å
217	N	82.6	Confident	87	Confident	64 Å²	64	56.1 Å²	56.1	34%	0.342	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.3	178.8	-69.8	-16.8	0	0	0	113	T215 F219 S258 T260	T215-N217 PolarHBondContact O-N 3.24Å; T215-N217 PolarHBondContact OG1-N 3.41Å; T215-N217 VanDerWaalsContact OG1-N 3.09Å; N217-F219 PolarHBondContact O-N 3.21Å; N217-S258 WeakPolarHBondContact CB-O 3.34Å; N217-S258 PolarHBondContact ND2-OG 3.29Å; N217-T260 PolarHBondContact O-N 3.35Å; N217-T260 PolarHBondContact O-OG1 2.8Å
218	C	86.8	Confident	86.7	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.02	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-61.2	131.4	177.7	-166.7	0	0	0	0	109.8	C209 N214 T215 D216 Y234 T260 E265	C209-C218 VanDerWaalsContact CA-SG 3.51Å; C209-C218 HydrophobicContact CB-CB 3.64Å; C209-C218 WeakPolarHBondContact CB-SG 3.45Å; C209-C218 WeakPolarHBondContact SG-CB 3.35Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 2.74Å; N214-C218 HydrophobicContact CB-CB 4.2Å; N214-C218 PolarHBondContact ND2-SG 2.97Å; N214-C218 VanDerWaalsContact ND2-SG 3.38Å; T215-C218 WeakPolarHBondContact O-CB 3.5Å; T215-C218 PolarHBondContact O-N 3.3Å; D216-C218 VanDerWaalsContact C-N 3.34Å; C218-Y234 PolarHBondContact O-OH 3.03Å; C218-T260 CarbonylContact C-O 3.48Å; C218-T260 WeakPolarHBondContact CA-O 3.36Å; C218-E265 WeakPolarHBondContact CA-OE1 3.42Å; C218-E265 WeakPolarHBondContact CB-OE1 3.5Å; C218-E265 WeakPolarHBondContact CB-OE2 3.1Å; C218-E265 PolarHBondContact N-OE1 3.45Å
219	F	85.3	Confident	86.6	Confident	31 Å²	31	57 Å²	57	14%	0.136	29%	0.289	C	S	.	.			trans	-125.3	112.4	-174.9	178.6	-106.2	0	0	0	111.7	C209 N217 K221 E224 Y234 R259 T260 P262	C209-F219 PolarHBondContact SG-N 3.45Å; N217-F219 PolarHBondContact O-N 3.21Å; F219-K221 HydrophobicContact CE1-CB 3.9Å; F219-K221 HydrophobicContact CE1-CG 4.28Å; F219-K221 HydrophobicContact CZ-CB 4.25Å; F219-K221 HydrophobicContact CZ-CG 4.39Å; F219-E224 HydrophobicContact CE2-CB 3.94Å; F219-E224 VanDerWaalsContact CE2-CD 3.48Å; F219-E224 HydrophobicContact CE2-CG 4.15Å; F219-E224 WeakPolarHBondContact CE2-OE1 3.49Å; F219-E224 HydrophobicContact CZ-CB 4.15Å; F219-E224 VanDerWaalsContact CZ-CD 3.49Å; F219-E224 HydrophobicContact CZ-CG 4.4Å; F219-E224 VanDerWaalsContact CZ-OE2 3.23Å; F219-E224 WeakPolarHBondContact CZ-OE2 3.32Å; F219-Y234 AromaticContact CD2-CD1 3.78Å; F219-Y234 HydrophobicContact CD2-CD1 3.78Å; F219-Y234 AromaticContact CD2-CE1 3.62Å; F219-Y234 HydrophobicContact CD2-CE1 3.62Å; F219-Y234 AromaticContact CE2-CD1 3.96Å; F219-Y234 HydrophobicContact CE2-CD1 3.96Å; F219-Y234 HydrophobicContact CE2-CE1 4.22Å; F219-R259 HydrophobicContact CB-CB 3.83Å; F219-R259 HydrophobicContact CB-CG 4.15Å; F219-R259 HydrophobicContact CD2-CG 4.43Å; F219-R259 HydrophobicContact CG-CB 4.17Å; F219-R259 HydrophobicContact CG-CG 4.22Å; F219-T260 PolarHBondContact N-O 3.31Å; F219-P262 WeakPolarHBondContact O-CD 3.43Å
220	D	86.6	Confident	86.6	Confident	14 Å²	14	63.4 Å²	63.4	8%	0.075	32%	0.315	C	S	.	.			trans	-101.8	105.7	173.8	-172.8	-24.7	0	0	0	110.2	C209 D222 F223 E224 Y234	C209-D220 HydrophobicContact CB-CB 4.45Å; D220-D222 VanDerWaalsContact C-N 3.31Å; D220-D222 PolarHBondContact O-N 3.28Å; D220-D222 PolarHBondContact OD1-N 2.84Å; D220-F223 HydrophobicContact CB-CB 3.99Å; D220-F223 PolarHBondContact O-N 3.09Å; D220-F223 PolarHBondContact OD1-N 2.73Å; D220-E224 PolarHBondContact O-N 3.24Å; D220-Y234 PolarHBondContact N-OH 2.88Å
221	K	81.4	Confident	86.6	Confident	42 Å²	42	65.7 Å²	65.7	18%	0.183	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-32.4	-177.7	-166.9	174.3	-171.5	179.8	0	113.2	F219 E224 K225 L423	F219-K221 HydrophobicContact CE1-CB 3.9Å; F219-K221 HydrophobicContact CE1-CG 4.28Å; F219-K221 HydrophobicContact CZ-CB 4.25Å; F219-K221 HydrophobicContact CZ-CG 4.39Å; K221-E224 PolarHBondContact O-N 3.26Å; K221-K225 WeakPolarHBondContact O-CG 3.46Å; K221-K225 PolarHBondContact O-N 3.44Å; K221-K225 VanDerWaalsContact O-N 3.09Å; K221-L423 HydrophobicContact CD-CD2 3.68Å; K221-L423 PolarHBondContact NZ-O 2.85Å
222	D	80.9	Confident	86.3	Confident	59 Å²	59	64.7 Å²	64.7	32%	0.316	32%	0.323	S	S	.	.	H	α-helix	trans	-71.5	-42.5	179.9	-73.1	-7.9	0	0	0	110.3	D220 E224 K225 I226 R448	D220-D222 VanDerWaalsContact C-N 3.31Å; D220-D222 PolarHBondContact O-N 3.28Å; D220-D222 PolarHBondContact OD1-N 2.84Å; D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.39Å; D222-K225 WeakPolarHBondContact O-CB 3.39Å; D222-K225 PolarHBondContact O-N 3.48Å; D222-I226 WeakPolarHBondContact O-CG1 3.34Å; D222-I226 PolarHBondContact O-N 3.06Å; D222-R448 IonicContact OD1-CZ 3.94Å; D222-R448 IonicContact OD1-NH1 3.38Å; D222-R448 PolarHBondContact OD1-NH1 3.45Å; D222-R448 IonicContact OD1-NH2 3.05Å; D222-R448 IonicContact OD2-CZ 2.7Å; D222-R448 IonicContact OD2-NH1 2.68Å; D222-R448 PolarHBondContact OD2-NH1 3.4Å; D222-R448 IonicContact OD2-NH2 3.87Å
223	F	84	Confident	85.9	Confident	67 Å²	67	58.2 Å²	58.2	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-68.8	-32.2	178.1	-162.1	-106.2	0	0	0	111.6	D220 I226 C227 Y234 G237	D220-F223 HydrophobicContact CB-CB 3.99Å; D220-F223 PolarHBondContact O-N 3.09Å; D220-F223 PolarHBondContact OD1-N 2.73Å; F223-I226 HydrophobicContact CD2-CD1 4.4Å; F223-I226 WeakPolarHBondContact O-CB 3.5Å; F223-I226 PolarHBondContact O-N 3.37Å; F223-C227 PolarHBondContact O-N 3.16Å; F223-C227 PolarHBondContact O-SG 3.16Å; F223-Y234 HydrophobicContact CB-CE2 4.4Å; F223-Y234 AromaticContact CD1-CD2 3.43Å; F223-Y234 HydrophobicContact CD1-CD2 3.43Å; F223-Y234 VanDerWaalsContact CD1-CD2 3.43Å; F223-Y234 AromaticContact CD1-CE2 3.46Å; F223-Y234 HydrophobicContact CD1-CE2 3.46Å; F223-Y234 VanDerWaalsContact CD1-CE2 3.46Å; F223-Y234 HydrophobicContact CE1-CD2 4.04Å; F223-Y234 HydrophobicContact CE1-CE2 4.17Å; F223-Y234 HydrophobicContact CG-CD2 4.46Å; F223-Y234 HydrophobicContact CG-CE2 4.41Å; F223-G237 WeakPolarHBondContact CE1-O 3.46Å
224	E	84.5	Confident	85.2	Confident	46 Å²	46	57.4 Å²	57.4	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-44.1	168.3	-174.6	-169.4	-121.3	0	0	112.8	F219 D220 K221 D222 I226 C227 S228 Y234 R259	F219-E224 HydrophobicContact CE2-CB 3.94Å; F219-E224 VanDerWaalsContact CE2-CD 3.48Å; F219-E224 HydrophobicContact CE2-CG 4.15Å; F219-E224 WeakPolarHBondContact CE2-OE1 3.49Å; F219-E224 HydrophobicContact CZ-CB 4.15Å; F219-E224 VanDerWaalsContact CZ-CD 3.49Å; F219-E224 HydrophobicContact CZ-CG 4.4Å; F219-E224 VanDerWaalsContact CZ-OE2 3.23Å; F219-E224 WeakPolarHBondContact CZ-OE2 3.32Å; D220-E224 PolarHBondContact O-N 3.24Å; K221-E224 PolarHBondContact O-N 3.26Å; D222-E224 VanDerWaalsContact C-N 3.31Å; D222-E224 PolarHBondContact O-N 3.39Å; E224-I226 VanDerWaalsContact C-N 3.27Å; E224-I226 PolarHBondContact O-N 3.05Å; E224-C227 PolarHBondContact O-N 3.47Å; E224-S228 WeakPolarHBondContact O-CB 3.5Å; E224-S228 PolarHBondContact O-N 3.35Å; E224-S228 PolarHBondContact O-OG 3.17Å; E224-Y234 HydrophobicContact CB-CD1 4.48Å; E224-Y234 HydrophobicContact CB-CG 4.17Å; E224-R259 IonicContact OE1-CZ 3.77Å; E224-R259 IonicContact OE1-NH1 3.91Å; E224-R259 PolarHBondContact OE1-NH1 2.9Å; E224-R259 IonicContact OE1-NH2 2.88Å
225	K	85.1	Confident	84.3	Confident	91 Å²	91	57.9 Å²	57.9	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-59.4	-40.6	174.5	-72	176.2	-176.4	174.7	0	111	K221 D222 S228 S229 E422	K221-K225 WeakPolarHBondContact O-CG 3.46Å; K221-K225 PolarHBondContact O-N 3.44Å; K221-K225 VanDerWaalsContact O-N 3.09Å; D222-K225 WeakPolarHBondContact O-CB 3.39Å; D222-K225 PolarHBondContact O-N 3.48Å; K225-S228 PolarHBondContact O-N 3.43Å; K225-S229 PolarHBondContact O-N 3.12Å; K225-E422 PolarHBondContact NZ-O 3.05Å; K225-E422 IonicContact NZ-OE1 2.78Å; K225-E422 PolarHBondContact NZ-OE1 3.22Å; K225-E422 VanDerWaalsContact NZ-OE1 3.16Å
226	I	87.1	Confident	83.4	Confident	79 Å²	79	59.9 Å²	59.9	41%	0.405	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-50.4	175.6	-65.6	167.2	0	0	0	110.5	D222 F223 E224 S228 S229 F230	D222-I226 WeakPolarHBondContact O-CG1 3.34Å; D222-I226 PolarHBondContact O-N 3.06Å; F223-I226 HydrophobicContact CD2-CD1 4.4Å; F223-I226 WeakPolarHBondContact O-CB 3.5Å; F223-I226 PolarHBondContact O-N 3.37Å; E224-I226 VanDerWaalsContact C-N 3.27Å; E224-I226 PolarHBondContact O-N 3.05Å; I226-S228 VanDerWaalsContact C-N 3.29Å; I226-S228 PolarHBondContact O-N 2.97Å; I226-S229 WeakPolarHBondContact O-CB 3.24Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 PolarHBondContact O-OG 3.42Å; I226-F230 HydrophobicContact CG2-CD2 4.11Å; I226-F230 HydrophobicContact CG2-CE2 3.71Å; I226-F230 WeakPolarHBondContact O-CD2 3.39Å; I226-F230 PolarHBondContact O-N 2.83Å
227	C	87.3	Confident	83	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-43.3	177.9	-59.3	0	0	0	0	111.6	F223 E224 S229 F230 N231 T232 C239	F223-C227 PolarHBondContact O-N 3.16Å; F223-C227 PolarHBondContact O-SG 3.16Å; E224-C227 PolarHBondContact O-N 3.47Å; C227-S229 VanDerWaalsContact C-N 3.26Å; C227-S229 PolarHBondContact O-N 2.87Å; C227-F230 CarbonylContact O-C 3.53Å; C227-F230 PolarHBondContact O-N 3.4Å; C227-N231 PolarHBondContact O-N 2.96Å; C227-T232 CarbonylContact C-O 3.59Å; C227-T232 VanDerWaalsContact C-OG1 3.26Å; C227-T232 VanDerWaalsContact CA-OG1 3.23Å; C227-T232 WeakPolarHBondContact CA-OG1 3.47Å; C227-T232 WeakPolarHBondContact CB-OG1 3.36Å; C227-T232 PolarHBondContact O-N 3.33Å; C227-T232 PolarHBondContact O-OG1 2.94Å; C227-C239 WeakPolarHBondContact CA-SG 3.48Å; C227-C239 HydrophobicContact CB-CB 3.78Å; C227-C239 WeakPolarHBondContact CB-SG 3.41Å; C227-C239 WeakPolarHBondContact SG-CA 3.38Å; C227-C239 WeakPolarHBondContact SG-CB 3.28Å; C227-C239 CovalentContact SG-SG 2.03Å; C227-C239 PolarHBondContact SG-SG 3.23Å
228	S	86	Confident	82.9	Confident	68 Å²	68	59.1 Å²	59.1	48%	0.476	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-35	177.5	-56.9	0	0	0	0	111.9	E224 K225 I226 F230 N231 T232	E224-S228 WeakPolarHBondContact O-CB 3.5Å; E224-S228 PolarHBondContact O-N 3.35Å; E224-S228 PolarHBondContact O-OG 3.17Å; K225-S228 PolarHBondContact O-N 3.43Å; I226-S228 VanDerWaalsContact C-N 3.29Å; I226-S228 PolarHBondContact O-N 2.97Å; S228-F230 PolarHBondContact O-N 3.4Å; S228-N231 PolarHBondContact O-N 2.97Å; S228-N231 VanDerWaalsContact O-N 3.15Å; S228-T232 PolarHBondContact N-O 2.83Å
229	S	88.7	Confident	82.8	Confident	85 Å²	85	60.8 Å²	60.8	59%	0.594	31%	0.31	S	S	*	.	H	α-helix	trans	-66.3	-21.6	175.8	77.9	0	0	0	0	113.7	K225 I226 C227	K225-S229 PolarHBondContact O-N 3.12Å; I226-S229 WeakPolarHBondContact O-CB 3.24Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-S229 PolarHBondContact O-OG 3.42Å; C227-S229 VanDerWaalsContact C-N 3.26Å; C227-S229 PolarHBondContact O-N 2.87Å
230	F	88.5	Confident	82.7	Confident	147 Å²	147	61.1 Å²	61.1	65%	0.645	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	13.5	175	-64	-69.7	0	0	0	113.4	I226 C227 S228 T232	I226-F230 HydrophobicContact CG2-CD2 4.11Å; I226-F230 HydrophobicContact CG2-CE2 3.71Å; I226-F230 WeakPolarHBondContact O-CD2 3.39Å; I226-F230 PolarHBondContact O-N 2.83Å; C227-F230 CarbonylContact O-C 3.53Å; C227-F230 PolarHBondContact O-N 3.4Å; S228-F230 PolarHBondContact O-N 3.4Å; F230-T232 HydrophobicContact CB-CG2 4.29Å; F230-T232 PolarHBondContact O-N 3.49Å
231	N	85.5	Confident	82.6	Confident	160 Å²	160	63 Å²	63	86%	0.856	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	30.4	-171.1	-67.6	-31.9	0	0	0	113.3	C227 S228	C227-N231 PolarHBondContact O-N 2.96Å; S228-N231 PolarHBondContact O-N 2.97Å; S228-N231 VanDerWaalsContact O-N 3.15Å
232	T	85.3	Confident	82.5	Confident	24 Å²	24	68.4 Å²	68.4	15%	0.147	35%	0.346	C	S	.	.			trans	-111.2	158.4	175.7	59.2	0	0	0	0	110	C227 S228 F230 C239 W240 N241	C227-T232 CarbonylContact C-O 3.59Å; C227-T232 VanDerWaalsContact C-OG1 3.26Å; C227-T232 VanDerWaalsContact CA-OG1 3.23Å; C227-T232 WeakPolarHBondContact CA-OG1 3.47Å; C227-T232 WeakPolarHBondContact CB-OG1 3.36Å; C227-T232 PolarHBondContact O-N 3.33Å; C227-T232 PolarHBondContact O-OG1 2.94Å; S228-T232 PolarHBondContact N-O 2.83Å; F230-T232 HydrophobicContact CB-CG2 4.29Å; F230-T232 PolarHBondContact O-N 3.49Å; T232-C239 WeakPolarHBondContact OG1-CB 3.42Å; T232-W240 WeakPolarHBondContact CA-O 3.47Å; T232-W240 WeakPolarHBondContact CB-O 3.48Å; T232-N241 HydrophobicContact CG2-CB 4.25Å
233	T	82.4	Confident	82.5	Confident	65 Å²	65	69.2 Å²	69.2	40%	0.399	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.8	177.9	-55.9	0	0	0	0	110.3	W240 L253	T233-W240 PolarHBondContact N-O 3.4Å; T233-W240 PolarHBondContact O-N 3.09Å; T233-L253 VanDerWaalsContact CB-CD1 3.46Å; T233-L253 HydrophobicContact CG2-CB 4.33Å; T233-L253 HydrophobicContact CG2-CD1 3.77Å; T233-L253 HydrophobicContact CG2-CD2 3.86Å; T233-L253 HydrophobicContact CG2-CG 4.19Å; T233-L253 VanDerWaalsContact OG1-CD1 3.27Å; T233-L253 WeakPolarHBondContact OG1-CD1 3.18Å
234	Y	79.1	Confident	82.4	Confident	15 Å²	15	69.6 Å²	69.6	6%	0.059	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	129.7	172.9	172.2	-100.7	0	0	0	111.6	C218 F219 D220 F223 E224 Y238	C218-Y234 PolarHBondContact O-OH 3.03Å; F219-Y234 AromaticContact CD2-CD1 3.78Å; F219-Y234 HydrophobicContact CD2-CD1 3.78Å; F219-Y234 AromaticContact CD2-CE1 3.62Å; F219-Y234 HydrophobicContact CD2-CE1 3.62Å; F219-Y234 AromaticContact CE2-CD1 3.96Å; F219-Y234 HydrophobicContact CE2-CD1 3.96Å; F219-Y234 HydrophobicContact CE2-CE1 4.22Å; D220-Y234 PolarHBondContact N-OH 2.88Å; F223-Y234 HydrophobicContact CB-CE2 4.4Å; F223-Y234 AromaticContact CD1-CD2 3.43Å; F223-Y234 HydrophobicContact CD1-CD2 3.43Å; F223-Y234 VanDerWaalsContact CD1-CD2 3.43Å; F223-Y234 AromaticContact CD1-CE2 3.46Å; F223-Y234 HydrophobicContact CD1-CE2 3.46Å; F223-Y234 VanDerWaalsContact CD1-CE2 3.46Å; F223-Y234 HydrophobicContact CE1-CD2 4.04Å; F223-Y234 HydrophobicContact CE1-CE2 4.17Å; F223-Y234 HydrophobicContact CG-CD2 4.46Å; F223-Y234 HydrophobicContact CG-CE2 4.41Å; E224-Y234 HydrophobicContact CB-CD1 4.48Å; E224-Y234 HydrophobicContact CB-CG 4.17Å; Y234-Y238 WeakPolarHBondContact CA-O 3.43Å
235	W	72.8	Confident	81.9	Confident	33 Å²	33	67.6 Å²	67.6	13%	0.125	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	134	171.8	-170.3	82.7	0	0	0	111.8	G237 Y238 W240 W250 L253 P254	W235-G237 VanDerWaalsContact C-N 3.3Å; W235-G237 PolarHBondContact O-N 2.69Å; W235-Y238 PolarHBondContact N-O 3.1Å; W235-Y238 PolarHBondContact O-N 3.19Å; W235-Y238 VanDerWaalsContact O-O 3.11Å; W235-W240 AromaticContact CE3-NE1 3.83Å; W235-W240 PolarHBondContact O-NE1 3Å; W235-W240 VanDerWaalsContact O-NE1 3.15Å; W235-W250 HydrophobicContact CD2-CE3 4.29Å; W235-W250 HydrophobicContact CD2-CH2 4.19Å; W235-W250 AromaticContact CD2-CZ3 3.93Å; W235-W250 HydrophobicContact CD2-CZ3 3.93Å; W235-W250 HydrophobicContact CE3-CE3 4.03Å; W235-W250 AromaticContact CE3-CH2 3.19Å; W235-W250 HydrophobicContact CE3-CH2 3.19Å; W235-W250 AromaticContact CE3-CZ2 3.75Å; W235-W250 HydrophobicContact CE3-CZ2 3.75Å; W235-W250 AromaticContact CE3-CZ3 3.3Å; W235-W250 HydrophobicContact CE3-CZ3 3.3Å; W235-W250 AromaticContact CH2-CD2 3.89Å; W235-W250 HydrophobicContact CH2-CD2 3.89Å; W235-W250 AromaticContact CH2-CE2 3.24Å; W235-W250 HydrophobicContact CH2-CE3 4.21Å; W235-W250 AromaticContact CH2-CH2 3.53Å; W235-W250 HydrophobicContact CH2-CH2 3.53Å; W235-W250 AromaticContact CH2-CZ2 3.1Å; W235-W250 HydrophobicContact CH2-CZ2 3.1Å; W235-W250 HydrophobicContact CH2-CZ3 4.02Å; W235-W250 AromaticContact CH2-NE1 3.74Å; W235-W250 HydrophobicContact CZ2-CD2 4.28Å; W235-W250 HydrophobicContact CZ2-CZ2 4.21Å; W235-W250 HydrophobicContact CZ3-CD2 4.15Å; W235-W250 AromaticContact CZ3-CE2 3.55Å; W235-W250 HydrophobicContact CZ3-CE3 4.07Å; W235-W250 AromaticContact CZ3-CH2 2.83Å; W235-W250 HydrophobicContact CZ3-CH2 2.83Å; W235-W250 AromaticContact CZ3-CZ2 2.9Å; W235-W250 HydrophobicContact CZ3-CZ2 2.9Å; W235-W250 AromaticContact CZ3-CZ3 3.42Å; W235-W250 HydrophobicContact CZ3-CZ3 3.42Å; W235-W250 VanDerWaalsContact CZ3-CZ3 3.42Å; W235-L253 HydrophobicContact CB-CD2 4.45Å; W235-P254 HydrophobicContact CZ2-CG 4.45Å
236	K	69.4	Low	81.6	Confident	74 Å²	74	68.2 Å²	68.2	32%	0.322	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.3	-177.7	-66.7	-166.9	-176.2	-170	0	115.2	D216 Y238	D216-K236 HydrophobicContact CB-CD 3.89Å; D216-K236 VanDerWaalsContact CB-CE 3.44Å; D216-K236 HydrophobicContact CB-CG 3.86Å; D216-K236 VanDerWaalsContact CG-CD 3.44Å; D216-K236 WeakPolarHBondContact OD1-CD 3.32Å; D216-K236 WeakPolarHBondContact OD1-CE 3.44Å; D216-K236 IonicContact OD1-NZ 2.78Å; D216-K236 PolarHBondContact OD1-NZ 3.32Å; D216-K236 WeakPolarHBondContact OD2-CE 3.36Å; D216-K236 IonicContact OD2-NZ 2.68Å; D216-K236 PolarHBondContact OD2-NZ 3.26Å; K236-Y238 VanDerWaalsContact C-N 3.29Å; K236-Y238 WeakPolarHBondContact O-CD2 3.46Å; K236-Y238 PolarHBondContact O-N 2.96Å
237	G	73.3	Confident	81.3	Confident	11 Å²	11	72.1 Å²	72.1	11%	0.113	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	4.3	179.4	0	0	0	0	0	115.3	F223 W235	F223-G237 WeakPolarHBondContact CE1-O 3.46Å; W235-G237 VanDerWaalsContact C-N 3.3Å; W235-G237 PolarHBondContact O-N 2.69Å
238	Y	80.2	Confident	80.7	Confident	128 Å²	128	77.5 Å²	77.5	50%	0.502	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.6	179.5	-60.9	-82.7	0	0	0	111.6	Y234 W235 K236	Y234-Y238 WeakPolarHBondContact CA-O 3.43Å; W235-Y238 PolarHBondContact N-O 3.1Å; W235-Y238 PolarHBondContact O-N 3.19Å; W235-Y238 VanDerWaalsContact O-O 3.11Å; K236-Y238 VanDerWaalsContact C-N 3.29Å; K236-Y238 WeakPolarHBondContact O-CD2 3.46Å; K236-Y238 PolarHBondContact O-N 2.96Å
239	C	85.2	Confident	80.1	Confident	38 Å²	38	77.4 Å²	77.4	26%	0.257	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.7	171.4	-61.9	0	0	0	0	108.9	C227 T232	C227-C239 WeakPolarHBondContact CA-SG 3.48Å; C227-C239 HydrophobicContact CB-CB 3.78Å; C227-C239 WeakPolarHBondContact CB-SG 3.41Å; C227-C239 WeakPolarHBondContact SG-CA 3.38Å; C227-C239 WeakPolarHBondContact SG-CB 3.28Å; C227-C239 CovalentContact SG-SG 2.03Å; C227-C239 PolarHBondContact SG-SG 3.23Å; T232-C239 WeakPolarHBondContact OG1-CB 3.42Å
240	W	83.2	Confident	79.2	Confident	38 Å²	38	75.8 Å²	75.8	14%	0.144	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.4	-177.5	-67.7	84.9	0	0	0	110.7	T232 T233 W235 E244 Q248 W250 L253	T232-W240 WeakPolarHBondContact CA-O 3.47Å; T232-W240 WeakPolarHBondContact CB-O 3.48Å; T233-W240 PolarHBondContact N-O 3.4Å; T233-W240 PolarHBondContact O-N 3.09Å; W235-W240 AromaticContact CE3-NE1 3.83Å; W235-W240 PolarHBondContact O-NE1 3Å; W235-W240 VanDerWaalsContact O-NE1 3.15Å; W240-E244 HydrophobicContact CE3-CB 3.61Å; W240-E244 HydrophobicContact CZ3-CB 3.94Å; W240-Q248 HydrophobicContact CE3-CG 4.24Å; W240-Q248 HydrophobicContact CH2-CG 3.43Å; W240-Q248 VanDerWaalsContact CH2-CG 3.43Å; W240-Q248 HydrophobicContact CZ3-CB 4.41Å; W240-Q248 HydrophobicContact CZ3-CG 3.24Å; W240-W250 AromaticContact CD2-CH2 3.74Å; W240-W250 HydrophobicContact CD2-CH2 3.74Å; W240-W250 AromaticContact CD2-CZ3 3.36Å; W240-W250 HydrophobicContact CD2-CZ3 3.36Å; W240-W250 AromaticContact CE2-CH2 3.43Å; W240-W250 VanDerWaalsContact CE2-CH2 3.43Å; W240-W250 AromaticContact CE2-CZ3 3.51Å; W240-W250 AromaticContact CE3-CH2 3.88Å; W240-W250 HydrophobicContact CE3-CH2 3.88Å; W240-W250 AromaticContact CE3-CZ3 3.6Å; W240-W250 HydrophobicContact CE3-CZ3 3.6Å; W240-W250 AromaticContact CG-CZ3 3.82Å; W240-W250 HydrophobicContact CG-CZ3 3.82Å; W240-W250 AromaticContact CH2-CH2 3.58Å; W240-W250 HydrophobicContact CH2-CH2 3.58Å; W240-W250 HydrophobicContact CH2-CZ2 4.49Å; W240-W250 HydrophobicContact CH2-CZ3 4.19Å; W240-W250 AromaticContact CZ2-CH2 3.39Å; W240-W250 HydrophobicContact CZ2-CH2 3.39Å; W240-W250 HydrophobicContact CZ2-CZ2 4.48Å; W240-W250 AromaticContact CZ2-CZ3 3.96Å; W240-W250 HydrophobicContact CZ2-CZ3 3.96Å; W240-W250 AromaticContact CZ3-CH2 3.82Å; W240-W250 HydrophobicContact CZ3-CH2 3.82Å; W240-W250 HydrophobicContact CZ3-CZ3 4.02Å; W240-W250 AromaticContact NE1-CZ3 3.88Å; W240-L253 HydrophobicContact CB-CD2 4.5Å
241	N	85.1	Confident	77.9	Confident	52 Å²	52	73.9 Å²	73.9	28%	0.278	39%	0.394	S	S	.	.			trans	-79.8	163.2	162.7	78.6	40.3	0	0	0	110.2	T232 S243 E244 A245	T232-N241 HydrophobicContact CG2-CB 4.25Å; N241-S243 PolarHBondContact O-N 3.4Å; N241-S243 VanDerWaalsContact OD1-CA 3.32Å; N241-S243 WeakPolarHBondContact OD1-CA 3.45Å; N241-S243 WeakPolarHBondContact OD1-CB 3.39Å; N241-S243 PolarHBondContact OD1-N 3.37Å; N241-S243 PolarHBondContact OD1-OG 2.92Å; N241-E244 PolarHBondContact N-OE2 3.14Å; N241-E244 WeakPolarHBondContact ND2-CG 3.33Å; N241-E244 PolarHBondContact ND2-OE1 3.29Å; N241-E244 PolarHBondContact ND2-OE2 3.44Å; N241-E244 PolarHBondContact O-N 3.41Å; N241-E244 WeakPolarHBondContact OD1-CB 3.38Å; N241-E244 WeakPolarHBondContact OD1-CG 3.26Å; N241-E244 PolarHBondContact OD1-N 2.86Å; N241-A245 WeakPolarHBondContact O-CB 3.4Å; N241-A245 PolarHBondContact O-N 3.17Å; N241-A245 VanDerWaalsContact O-N 3.07Å
242	Q	78.3	Confident	76.6	Confident	157 Å²	157	72.9 Å²	72.9	73%	0.734	39%	0.388	S	S	*	.	H	α-helix	trans	-60.6	-33.9	-177.9	-171.4	175	3	0	0	112.4	L246	Q242-L246 VanDerWaalsContact O-CG 3.28Å; Q242-L246 WeakPolarHBondContact O-CG 3.41Å; Q242-L246 PolarHBondContact O-N 3.06Å
243	S	82.1	Confident	75.4	Confident	75 Å²	75	74.6 Å²	74.6	52%	0.524	40%	0.396	S	S	.	.	H	α-helix	trans	-68.3	-48.8	179.1	-32.9	0	0	0	0	112.1	N241 A245 L246 E247	N241-S243 PolarHBondContact O-N 3.4Å; N241-S243 VanDerWaalsContact OD1-CA 3.32Å; N241-S243 WeakPolarHBondContact OD1-CA 3.45Å; N241-S243 WeakPolarHBondContact OD1-CB 3.39Å; N241-S243 PolarHBondContact OD1-N 3.37Å; N241-S243 PolarHBondContact OD1-OG 2.92Å; S243-A245 VanDerWaalsContact C-N 3.33Å; S243-A245 PolarHBondContact O-N 2.76Å; S243-L246 WeakPolarHBondContact O-CB 3.19Å; S243-L246 PolarHBondContact O-N 2.89Å; S243-E247 WeakPolarHBondContact O-CG 3.33Å; S243-E247 PolarHBondContact O-N 3.39Å
244	E	80.8	Confident	74.1	Confident	75 Å²	75	74.2 Å²	74.2	35%	0.35	40%	0.395	S	S	.	.	H	α-helix	trans	-63.2	-39	178.7	-70.5	162.2	178.1	0	0	111.1	W240 N241 L246 E247 Q248	W240-E244 HydrophobicContact CE3-CB 3.61Å; W240-E244 HydrophobicContact CZ3-CB 3.94Å; N241-E244 PolarHBondContact N-OE2 3.14Å; N241-E244 WeakPolarHBondContact ND2-CG 3.33Å; N241-E244 PolarHBondContact ND2-OE1 3.29Å; N241-E244 PolarHBondContact ND2-OE2 3.44Å; N241-E244 PolarHBondContact O-N 3.41Å; N241-E244 WeakPolarHBondContact OD1-CB 3.38Å; N241-E244 WeakPolarHBondContact OD1-CG 3.26Å; N241-E244 PolarHBondContact OD1-N 2.86Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.23Å; E244-E247 WeakPolarHBondContact O-CB 3.31Å; E244-E247 PolarHBondContact O-N 2.91Å; E244-Q248 WeakPolarHBondContact O-CG 3.27Å; E244-Q248 PolarHBondContact O-N 2.81Å; E244-Q248 VanDerWaalsContact O-N 3.11Å
245	A	74.8	Confident	73	Confident	4 Å²	4	80.5 Å²	80.5	3%	0.033	43%	0.429	C	S	.	.	H	α-helix	trans	-63.1	-40.2	175.4	0	0	0	0	0	111.6	N241 S243 Q248 G249 W250 L253	N241-A245 WeakPolarHBondContact O-CB 3.4Å; N241-A245 PolarHBondContact O-N 3.17Å; N241-A245 VanDerWaalsContact O-N 3.07Å; S243-A245 VanDerWaalsContact C-N 3.33Å; S243-A245 PolarHBondContact O-N 2.76Å; A245-Q248 PolarHBondContact O-N 3.25Å; A245-G249 PolarHBondContact O-N 3.07Å; A245-W250 HydrophobicContact CB-CE3 3.9Å; A245-W250 HydrophobicContact CB-CZ3 4.46Å; A245-W250 WeakPolarHBondContact O-CB 3.26Å; A245-W250 PolarHBondContact O-N 2.88Å; A245-L253 HydrophobicContact CB-CD2 4.37Å
246	L	79.4	Confident	72.2	Confident	104 Å²	104	80.4 Å²	80.4	55%	0.545	43%	0.433	S	S	.	.	H	α-helix	trans	-67.2	-37.5	174.6	-70	167.7	0	0	0	111.9	Q242 S243 E244 Q248 G249	Q242-L246 VanDerWaalsContact O-CG 3.28Å; Q242-L246 WeakPolarHBondContact O-CG 3.41Å; Q242-L246 PolarHBondContact O-N 3.06Å; S243-L246 WeakPolarHBondContact O-CB 3.19Å; S243-L246 PolarHBondContact O-N 2.89Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-L246 PolarHBondContact O-N 3.23Å; L246-Q248 VanDerWaalsContact C-N 3.27Å; L246-Q248 PolarHBondContact O-N 3.05Å; L246-G249 PolarHBondContact O-N 3.26Å
247	E	79.5	Confident	71.8	Confident	162 Å²	162	83.6 Å²	83.6	76%	0.757	46%	0.458	S	S	*	.	H	α-helix	trans	-62	-32.3	174.8	-73.5	178.2	-177	0	0	112.7	S243 E244 G249	S243-E247 WeakPolarHBondContact O-CG 3.33Å; S243-E247 PolarHBondContact O-N 3.39Å; E244-E247 WeakPolarHBondContact O-CB 3.31Å; E244-E247 PolarHBondContact O-N 2.91Å; E247-G249 PolarHBondContact O-N 2.94Å
248	Q	75.9	Confident	71.4	Confident	113 Å²	113	86.1 Å²	86.1	53%	0.528	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1	172.6	-64.7	-68.4	-32.4	0	0	114	W240 E244 A245 L246 W250	W240-Q248 HydrophobicContact CE3-CG 4.24Å; W240-Q248 HydrophobicContact CH2-CG 3.43Å; W240-Q248 VanDerWaalsContact CH2-CG 3.43Å; W240-Q248 HydrophobicContact CZ3-CB 4.41Å; W240-Q248 HydrophobicContact CZ3-CG 3.24Å; E244-Q248 WeakPolarHBondContact O-CG 3.27Å; E244-Q248 PolarHBondContact O-N 2.81Å; E244-Q248 VanDerWaalsContact O-N 3.11Å; A245-Q248 PolarHBondContact O-N 3.25Å; L246-Q248 VanDerWaalsContact C-N 3.27Å; L246-Q248 PolarHBondContact O-N 3.05Å; Q248-W250 HydrophobicContact CB-CD2 3.93Å; Q248-W250 VanDerWaalsContact CB-CE2 3.44Å; Q248-W250 HydrophobicContact CB-CE3 4.37Å; Q248-W250 HydrophobicContact CB-CG 4.44Å; Q248-W250 HydrophobicContact CB-CH2 3.81Å; Q248-W250 HydrophobicContact CB-CZ2 3.33Å; Q248-W250 HydrophobicContact CB-CZ3 4.34Å; Q248-W250 HydrophobicContact CG-CH2 3.74Å; Q248-W250 HydrophobicContact CG-CZ2 3.67Å; Q248-W250 HydrophobicContact CG-CZ3 4.43Å; Q248-W250 PolarHBondContact O-NE1 2.8Å
249	G	73.5	Confident	71.3	Confident	65 Å²	65	85.7 Å²	85.7	67%	0.67	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	19.1	-178.5	0	0	0	0	0	114.6	A245 L246 E247	A245-G249 PolarHBondContact O-N 3.07Å; L246-G249 PolarHBondContact O-N 3.26Å; E247-G249 PolarHBondContact O-N 2.94Å
250	W	69.3	Low	71.2	Confident	52 Å²	52	86.2 Å²	86.2	20%	0.197	47%	0.474	C	S	.	.			trans	-91.1	106.7	175.5	-49.7	-24.6	0	0	0	110	W235 W240 A245 Q248 L252	W235-W250 HydrophobicContact CD2-CE3 4.29Å; W235-W250 HydrophobicContact CD2-CH2 4.19Å; W235-W250 AromaticContact CD2-CZ3 3.93Å; W235-W250 HydrophobicContact CD2-CZ3 3.93Å; W235-W250 HydrophobicContact CE3-CE3 4.03Å; W235-W250 AromaticContact CE3-CH2 3.19Å; W235-W250 HydrophobicContact CE3-CH2 3.19Å; W235-W250 AromaticContact CE3-CZ2 3.75Å; W235-W250 HydrophobicContact CE3-CZ2 3.75Å; W235-W250 AromaticContact CE3-CZ3 3.3Å; W235-W250 HydrophobicContact CE3-CZ3 3.3Å; W235-W250 AromaticContact CH2-CD2 3.89Å; W235-W250 HydrophobicContact CH2-CD2 3.89Å; W235-W250 AromaticContact CH2-CE2 3.24Å; W235-W250 HydrophobicContact CH2-CE3 4.21Å; W235-W250 AromaticContact CH2-CH2 3.53Å; W235-W250 HydrophobicContact CH2-CH2 3.53Å; W235-W250 AromaticContact CH2-CZ2 3.1Å; W235-W250 HydrophobicContact CH2-CZ2 3.1Å; W235-W250 HydrophobicContact CH2-CZ3 4.02Å; W235-W250 AromaticContact CH2-NE1 3.74Å; W235-W250 HydrophobicContact CZ2-CD2 4.28Å; W235-W250 HydrophobicContact CZ2-CZ2 4.21Å; W235-W250 HydrophobicContact CZ3-CD2 4.15Å; W235-W250 AromaticContact CZ3-CE2 3.55Å; W235-W250 HydrophobicContact CZ3-CE3 4.07Å; W235-W250 AromaticContact CZ3-CH2 2.83Å; W235-W250 HydrophobicContact CZ3-CH2 2.83Å; W235-W250 AromaticContact CZ3-CZ2 2.9Å; W235-W250 HydrophobicContact CZ3-CZ2 2.9Å; W235-W250 AromaticContact CZ3-CZ3 3.42Å; W235-W250 HydrophobicContact CZ3-CZ3 3.42Å; W235-W250 VanDerWaalsContact CZ3-CZ3 3.42Å; W240-W250 AromaticContact CD2-CH2 3.74Å; W240-W250 HydrophobicContact CD2-CH2 3.74Å; W240-W250 AromaticContact CD2-CZ3 3.36Å; W240-W250 HydrophobicContact CD2-CZ3 3.36Å; W240-W250 AromaticContact CE2-CH2 3.43Å; W240-W250 VanDerWaalsContact CE2-CH2 3.43Å; W240-W250 AromaticContact CE2-CZ3 3.51Å; W240-W250 AromaticContact CE3-CH2 3.88Å; W240-W250 HydrophobicContact CE3-CH2 3.88Å; W240-W250 AromaticContact CE3-CZ3 3.6Å; W240-W250 HydrophobicContact CE3-CZ3 3.6Å; W240-W250 AromaticContact CG-CZ3 3.82Å; W240-W250 HydrophobicContact CG-CZ3 3.82Å; W240-W250 AromaticContact CH2-CH2 3.58Å; W240-W250 HydrophobicContact CH2-CH2 3.58Å; W240-W250 HydrophobicContact CH2-CZ2 4.49Å; W240-W250 HydrophobicContact CH2-CZ3 4.19Å; W240-W250 AromaticContact CZ2-CH2 3.39Å; W240-W250 HydrophobicContact CZ2-CH2 3.39Å; W240-W250 HydrophobicContact CZ2-CZ2 4.48Å; W240-W250 AromaticContact CZ2-CZ3 3.96Å; W240-W250 HydrophobicContact CZ2-CZ3 3.96Å; W240-W250 AromaticContact CZ3-CH2 3.82Å; W240-W250 HydrophobicContact CZ3-CH2 3.82Å; W240-W250 HydrophobicContact CZ3-CZ3 4.02Å; W240-W250 AromaticContact NE1-CZ3 3.88Å; A245-W250 HydrophobicContact CB-CE3 3.9Å; A245-W250 HydrophobicContact CB-CZ3 4.46Å; A245-W250 WeakPolarHBondContact O-CB 3.26Å; A245-W250 PolarHBondContact O-N 2.88Å; Q248-W250 HydrophobicContact CB-CD2 3.93Å; Q248-W250 VanDerWaalsContact CB-CE2 3.44Å; Q248-W250 HydrophobicContact CB-CE3 4.37Å; Q248-W250 HydrophobicContact CB-CG 4.44Å; Q248-W250 HydrophobicContact CB-CH2 3.81Å; Q248-W250 HydrophobicContact CB-CZ2 3.33Å; Q248-W250 HydrophobicContact CB-CZ3 4.34Å; Q248-W250 HydrophobicContact CG-CH2 3.74Å; Q248-W250 HydrophobicContact CG-CZ2 3.67Å; Q248-W250 HydrophobicContact CG-CZ3 4.43Å; Q248-W250 PolarHBondContact O-NE1 2.8Å; W250-L252 VanDerWaalsContact C-N 3.25Å; W250-L252 PolarHBondContact O-N 2.96Å
251	S	60	Low	71.3	Confident	106 Å²	106	86.8 Å²	86.8	74%	0.741	48%	0.48	S	S	*	.	S	Bend	trans	-71.5	-23.1	176.9	59.3	0	0	0	0	112.9
252	L	58.9	Low	71.6	Confident	139 Å²	139	84.4 Å²	84.4	73%	0.728	47%	0.467	S	S	*	.	S	Bend	trans	-143.3	128.6	176.7	-67.2	169.3	0	0	0	107	W250 P254	W250-L252 VanDerWaalsContact C-N 3.25Å; W250-L252 PolarHBondContact O-N 2.96Å; L252-P254 VanDerWaalsContact O-CD 3.32Å; L252-P254 WeakPolarHBondContact O-CD 3.28Å; L252-P254 VanDerWaalsContact O-N 3.09Å
253	L	59.4	Low	72.3	Confident	60 Å²	60	76.9 Å²	76.9	31%	0.314	43%	0.432	S	S	.	.			trans	-55.1	116.9	162	-74.6	150.6	0	0	0	106.3	T233 W235 W240 A245 N255	T233-L253 VanDerWaalsContact CB-CD1 3.46Å; T233-L253 HydrophobicContact CG2-CB 4.33Å; T233-L253 HydrophobicContact CG2-CD1 3.77Å; T233-L253 HydrophobicContact CG2-CD2 3.86Å; T233-L253 HydrophobicContact CG2-CG 4.19Å; T233-L253 VanDerWaalsContact OG1-CD1 3.27Å; T233-L253 WeakPolarHBondContact OG1-CD1 3.18Å; W235-L253 HydrophobicContact CB-CD2 4.45Å; W240-L253 HydrophobicContact CB-CD2 4.5Å; A245-L253 HydrophobicContact CB-CD2 4.37Å; L253-N255 PolarHBondContact O-N 2.99Å
254	P	55.8	Low	72.8	Confident	57 Å²	57	75.4 Å²	75.4	37%	0.37	42%	0.417	S	S	.	.			trans	-64.3	131	-171	22.2	-30.6	0	0	0	109.2	W235 L252 V256	W235-P254 HydrophobicContact CZ2-CG 4.45Å; L252-P254 VanDerWaalsContact O-CD 3.32Å; L252-P254 WeakPolarHBondContact O-CD 3.28Å; L252-P254 VanDerWaalsContact O-N 3.09Å; P254-V256 HydrophobicContact CB-CG2 3.85Å; P254-V256 HydrophobicContact CG-CG2 3.74Å; P254-V256 PolarHBondContact O-N 3.23Å
255	N	56.7	Low	73.4	Confident	147 Å²	147	72.1 Å²	72.1	79%	0.786	40%	0.402	S	S	*	.			trans	-67.7	76.3	159.2	-169.3	14.5	0	0	0	106.4	L253 T257	L253-N255 PolarHBondContact O-N 2.99Å; N255-T257 PolarHBondContact O-N 2.96Å
256	V	55.1	Low	74.4	Confident	32 Å²	32	72.2 Å²	72.2	19%	0.194	40%	0.401	C	S	.	.			trans	-64.9	107.2	-176.3	-174.8	0	0	0	0	107.1	P254 S258	P254-V256 HydrophobicContact CB-CG2 3.85Å; P254-V256 HydrophobicContact CG-CG2 3.74Å; P254-V256 PolarHBondContact O-N 3.23Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 WeakPolarHBondContact CG1-O 3.39Å; V256-S258 PolarHBondContact O-N 3.16Å
257	T	61	Low	75.2	Confident	140 Å²	140	67.4 Å²	67.4	86%	0.859	38%	0.376	S	S	*	.	S	Bend	trans	-68.9	-27.6	179.1	40.1	0	0	0	0	112.1	N255	N255-T257 PolarHBondContact O-N 2.96Å
258	S	66.4	Low	75.9	Confident	65 Å²	65	61.2 Å²	61.2	46%	0.455	35%	0.348	S	S	.	.			trans	-105.5	86.2	177	65.4	0	0	0	0	111.6	N217 V256	N217-S258 WeakPolarHBondContact CB-O 3.34Å; N217-S258 PolarHBondContact ND2-OG 3.29Å; V256-S258 VanDerWaalsContact C-N 3.29Å; V256-S258 WeakPolarHBondContact CG1-O 3.39Å; V256-S258 PolarHBondContact O-N 3.16Å
259	R	77.8	Confident	76.8	Confident	119 Å²	119	62.4 Å²	62.4	45%	0.449	35%	0.347	S	S	.	.			trans	-92.1	133	170.4	-69.5	179.3	179.3	-162.3	-2.5	110	F219 E224	F219-R259 HydrophobicContact CB-CB 3.83Å; F219-R259 HydrophobicContact CB-CG 4.15Å; F219-R259 HydrophobicContact CD2-CG 4.43Å; F219-R259 HydrophobicContact CG-CB 4.17Å; F219-R259 HydrophobicContact CG-CG 4.22Å; E224-R259 IonicContact OE1-CZ 3.77Å; E224-R259 IonicContact OE1-NH1 3.91Å; E224-R259 PolarHBondContact OE1-NH1 2.9Å; E224-R259 IonicContact OE1-NH2 2.88Å
260	T	82.7	Confident	77.9	Confident	48 Å²	48	61.7 Å²	61.7	29%	0.294	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-117.7	135.1	176.5	36.2	0	0	0	0	110.7	N217 C218 F219 E265	N217-T260 PolarHBondContact O-N 3.35Å; N217-T260 PolarHBondContact O-OG1 2.8Å; C218-T260 CarbonylContact C-O 3.48Å; C218-T260 WeakPolarHBondContact CA-O 3.36Å; F219-T260 PolarHBondContact N-O 3.31Å; T260-E265 PolarHBondContact OG1-OE1 3.04Å
261	N	85.7	Confident	79.2	Confident	50 Å²	50	59.2 Å²	59.2	27%	0.267	32%	0.315	S	S	.	.			trans	-72.7	153	178.2	72.4	60.6	0	0	0	111	V263 Q264 E265 Y444	N261-V263 PolarHBondContact O-N 2.93Å; N261-V263 VanDerWaalsContact O-N 3.12Å; N261-V263 PolarHBondContact OD1-N 2.85Å; N261-V263 VanDerWaalsContact OD1-N 3.15Å; N261-Q264 PolarHBondContact O-N 2.84Å; N261-Q264 WeakPolarHBondContact OD1-CB 3.34Å; N261-Q264 PolarHBondContact OD1-N 3.42Å; N261-E265 PolarHBondContact O-N 3.07Å; N261-Y444 HydrophobicContact CB-CE2 4.42Å
262	P	91.5	Very high	80.9	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-25	-175.2	21.4	-34.1	0	0	0	114.1	T208 F219 Y266 Y444	T208-P262 WeakPolarHBondContact O-CB 3.34Å; F219-P262 WeakPolarHBondContact O-CD 3.43Å; P262-Y266 WeakPolarHBondContact O-CB 3.24Å; P262-Y266 PolarHBondContact O-N 2.9Å; P262-Y444 HydrophobicContact CG-CE2 4.46Å
263	V	93.2	Very high	82.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-79.9	-38.3	-178.5	-168.8	0	0	0	0	111.9	W206 N261 E265 Y266 F267 V440 P443 Y444	W206-V263 HydrophobicContact CB-CB 4.38Å; W206-V263 HydrophobicContact CB-CG1 4.26Å; W206-V263 HydrophobicContact CB-CG2 4.01Å; W206-V263 HydrophobicContact CG-CG1 4.19Å; W206-V263 HydrophobicContact CG-CG2 4.12Å; W206-V263 VanDerWaalsContact O-CG2 3.3Å; W206-V263 WeakPolarHBondContact O-CG2 3.22Å; N261-V263 PolarHBondContact O-N 2.93Å; N261-V263 VanDerWaalsContact O-N 3.12Å; N261-V263 PolarHBondContact OD1-N 2.85Å; N261-V263 VanDerWaalsContact OD1-N 3.15Å; V263-E265 VanDerWaalsContact C-N 3.27Å; V263-E265 PolarHBondContact O-N 3.23Å; V263-Y266 PolarHBondContact O-N 2.87Å; V263-F267 PolarHBondContact O-N 3.47Å; V263-V440 HydrophobicContact CB-CG1 4.31Å; V263-V440 HydrophobicContact CG1-CG1 4.41Å; V263-V440 WeakPolarHBondContact CG1-O 3.44Å; V263-P443 HydrophobicContact CG1-CB 3.87Å; V263-Y444 HydrophobicContact CG2-CD2 3.63Å; V263-Y444 HydrophobicContact CG2-CG 4.11Å
264	Q	91.3	Very high	84.2	Confident	43 Å²	43	50.1 Å²	50.1	20%	0.201	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-44.4	172.1	-177.1	70.6	39.2	0	0	109.7	N261 F267 N268 V440	N261-Q264 PolarHBondContact O-N 2.84Å; N261-Q264 WeakPolarHBondContact OD1-CB 3.34Å; N261-Q264 PolarHBondContact OD1-N 3.42Å; Q264-F267 PolarHBondContact O-N 2.87Å; Q264-N268 PolarHBondContact NE2-ND2 3Å; Q264-N268 PolarHBondContact NE2-OD1 3.39Å; Q264-N268 WeakPolarHBondContact O-CB 3.37Å; Q264-N268 PolarHBondContact O-N 3.2Å; Q264-V440 HydrophobicContact CB-CG1 3.87Å
265	E	93.6	Very high	86	Confident	7 Å²	7	48 Å²	48	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-38.3	176.8	-68.6	-162.4	178.4	0	0	112.8	N214 T215 C218 T260 N261 V263 F267 R269	N214-E265 WeakPolarHBondContact CA-OE2 3.37Å; N214-E265 WeakPolarHBondContact CB-OE2 3.37Å; N214-E265 PolarHBondContact ND2-OE2 3.47Å; T215-E265 PolarHBondContact N-OE2 2.97Å; T215-E265 PolarHBondContact OG1-OE1 3.43Å; C218-E265 WeakPolarHBondContact CA-OE1 3.42Å; C218-E265 WeakPolarHBondContact CB-OE1 3.5Å; C218-E265 WeakPolarHBondContact CB-OE2 3.1Å; C218-E265 PolarHBondContact N-OE1 3.45Å; T260-E265 PolarHBondContact OG1-OE1 3.04Å; N261-E265 PolarHBondContact O-N 3.07Å; V263-E265 VanDerWaalsContact C-N 3.27Å; V263-E265 PolarHBondContact O-N 3.23Å; E265-F267 VanDerWaalsContact C-N 3.33Å; E265-F267 PolarHBondContact O-N 3.5Å; E265-R269 WeakPolarHBondContact O-CA 3.43Å; E265-R269 VanDerWaalsContact O-CB 3.23Å; E265-R269 WeakPolarHBondContact O-CB 3.48Å; E265-R269 PolarHBondContact O-N 3.49Å
266	Y	96	Very high	87.6	Confident	5 Å²	5	48 Å²	48	2%	0.02	25%	0.248	C	C	.	.	I	π-helix	trans	-58.2	-47.7	172.4	-178.1	-98	0	0	0	111.1	Y194 Y195 A198 P205 W206 W213 P262 V263 R270 V271	Y194-Y266 HydrophobicContact CE1-CE1 4.28Å; Y194-Y266 AromaticContact CE1-CZ 3.96Å; Y194-Y266 WeakPolarHBondContact CE1-OH 3.48Å; Y195-Y266 HydrophobicContact CD1-CE1 4.26Å; Y195-Y266 AromaticContact CE1-CD1 3.9Å; Y195-Y266 HydrophobicContact CE1-CD1 3.9Å; Y195-Y266 AromaticContact CE1-CE1 3.79Å; Y195-Y266 HydrophobicContact CE1-CE1 3.79Å; Y195-Y266 HydrophobicContact CE2-CE1 4.28Å; Y195-Y266 AromaticContact CZ-CD1 3.77Å; Y195-Y266 AromaticContact CZ-CE1 3.8Å; A198-Y266 VanDerWaalsContact CB-OH 3.27Å; A198-Y266 WeakPolarHBondContact CB-OH 3.46Å; P205-Y266 HydrophobicContact CB-CE2 3.97Å; P205-Y266 HydrophobicContact CG-CE2 3.93Å; W206-Y266 HydrophobicContact CB-CD1 3.9Å; W206-Y266 HydrophobicContact CB-CD2 4.07Å; W206-Y266 HydrophobicContact CB-CG 3.59Å; W206-Y266 HydrophobicContact CD2-CD1 4.3Å; W206-Y266 HydrophobicContact CD2-CE1 4.28Å; W206-Y266 AromaticContact CE3-CD1 3.74Å; W206-Y266 HydrophobicContact CE3-CD1 3.74Å; W206-Y266 AromaticContact CE3-CE1 3.31Å; W206-Y266 HydrophobicContact CE3-CE1 3.31Å; W206-Y266 HydrophobicContact CE3-CE2 4.16Å; W206-Y266 HydrophobicContact CE3-CG 4.32Å; W206-Y266 AromaticContact CE3-CZ 3.53Å; W206-Y266 HydrophobicContact CG-CD1 4.42Å; W206-Y266 AromaticContact CZ3-CE1 3.81Å; W206-Y266 HydrophobicContact CZ3-CE1 3.81Å; W206-Y266 AromaticContact CZ3-CZ 3.95Å; W213-Y266 AromaticContact CE2-CD2 3.81Å; W213-Y266 HydrophobicContact CH2-CE2 4.46Å; W213-Y266 AromaticContact CZ2-CD2 3.67Å; W213-Y266 HydrophobicContact CZ2-CD2 3.67Å; W213-Y266 HydrophobicContact CZ2-CE2 4.03Å; W213-Y266 AromaticContact NE1-CD2 3.9Å; P262-Y266 WeakPolarHBondContact O-CB 3.24Å; P262-Y266 PolarHBondContact O-N 2.9Å; V263-Y266 PolarHBondContact O-N 2.87Å; Y266-R270 HydrophobicContact CD2-CB 3.89Å; Y266-R270 HydrophobicContact CD2-CG 3.93Å; Y266-R270 HydrophobicContact CE2-CB 4.2Å; Y266-R270 HydrophobicContact CE2-CG 3.71Å; Y266-R270 HydrophobicContact CG-CB 4.4Å; Y266-R270 CarbonylContact O-C 3.51Å; Y266-R270 WeakPolarHBondContact O-CA 3.23Å; Y266-R270 VanDerWaalsContact O-CB 3.26Å; Y266-R270 WeakPolarHBondContact O-CB 3.46Å; Y266-R270 PolarHBondContact O-N 3Å; Y266-V271 HydrophobicContact CD1-CG2 3.68Å; Y266-V271 HydrophobicContact CE1-CG2 3.42Å; Y266-V271 VanDerWaalsContact CE1-CG2 3.42Å; Y266-V271 WeakPolarHBondContact O-CG2 3.22Å; Y266-V271 PolarHBondContact O-N 3.22Å
267	F	95.8	Very high	89.3	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.013	24%	0.24	C	C	.	.	I	π-helix	trans	-63.5	-54.9	178.6	-172.6	-121.7	0	0	0	111.7	W191 Y195 V263 Q264 E265 V271 L272 F439 V440	W191-F267 HydrophobicContact CD2-CE2 4.2Å; W191-F267 HydrophobicContact CD2-CZ 4.34Å; W191-F267 HydrophobicContact CE3-CE2 4.06Å; W191-F267 AromaticContact CE3-CZ 3.88Å; W191-F267 HydrophobicContact CE3-CZ 3.88Å; W191-F267 HydrophobicContact CH2-CZ 4.31Å; W191-F267 HydrophobicContact CZ3-CE2 4.5Å; W191-F267 AromaticContact CZ3-CZ 3.87Å; W191-F267 HydrophobicContact CZ3-CZ 3.87Å; Y195-F267 HydrophobicContact CE2-CD2 4Å; Y195-F267 WeakPolarHBondContact OH-CB 3.33Å; Y195-F267 WeakPolarHBondContact OH-CD2 3.4Å; V263-F267 PolarHBondContact O-N 3.47Å; Q264-F267 PolarHBondContact O-N 2.87Å; E265-F267 VanDerWaalsContact C-N 3.33Å; E265-F267 PolarHBondContact O-N 3.5Å; F267-V271 HydrophobicContact CD2-CB 4.3Å; F267-V271 HydrophobicContact CD2-CG1 4.41Å; F267-V271 WeakPolarHBondContact O-CB 3.43Å; F267-V271 PolarHBondContact O-N 3.37Å; F267-L272 HydrophobicContact CD1-CD1 3.88Å; F267-L272 HydrophobicContact CD2-CD1 4.48Å; F267-L272 HydrophobicContact CD2-CG 4.35Å; F267-L272 HydrophobicContact CE1-CD1 3.49Å; F267-L272 VanDerWaalsContact CE1-CD1 3.49Å; F267-L272 HydrophobicContact CE1-CG 4.31Å; F267-L272 HydrophobicContact CE2-CD1 4.14Å; F267-L272 HydrophobicContact CE2-CD2 4.2Å; F267-L272 HydrophobicContact CE2-CG 4.08Å; F267-L272 HydrophobicContact CG-CD1 4.37Å; F267-L272 HydrophobicContact CZ-CD1 3.64Å; F267-L272 HydrophobicContact CZ-CD2 4.19Å; F267-L272 HydrophobicContact CZ-CG 4.06Å; F267-L272 WeakPolarHBondContact O-CB 3.34Å; F267-L272 WeakPolarHBondContact O-CG 3.28Å; F267-L272 PolarHBondContact O-N 3.09Å; F267-F439 HydrophobicContact CD2-CB 3.6Å; F267-F439 HydrophobicContact CD2-CG 4.28Å; F267-F439 HydrophobicContact CE1-CB 4.49Å; F267-F439 HydrophobicContact CE2-CB 3.55Å; F267-F439 HydrophobicContact CE2-CD2 4.11Å; F267-F439 AromaticContact CE2-CG 3.81Å; F267-F439 HydrophobicContact CE2-CG 3.81Å; F267-F439 HydrophobicContact CG-CB 4.11Å; F267-F439 HydrophobicContact CZ-CB 4.02Å; F267-F439 HydrophobicContact CZ-CD2 4.21Å; F267-F439 HydrophobicContact CZ-CG 4.31Å; F267-V440 HydrophobicContact CB-CG2 3.87Å; F267-V440 HydrophobicContact CD1-CG2 3.95Å; F267-V440 HydrophobicContact CG-CG2 4.12Å
268	N	94.5	Very high	90.9	Very high	32 Å²	32	40.5 Å²	40.5	17%	0.171	20%	0.202	C	C	.	.	I	π-helix	trans	-69.4	-41.7	-174.3	-74.6	2.3	0	0	0	112.6	Q264 N273 L274	Q264-N268 PolarHBondContact NE2-ND2 3Å; Q264-N268 PolarHBondContact NE2-OD1 3.39Å; Q264-N268 WeakPolarHBondContact O-CB 3.37Å; Q264-N268 PolarHBondContact O-N 3.2Å; N268-N273 WeakPolarHBondContact O-CA 3.37Å; N268-N273 PolarHBondContact O-N 3.39Å; N268-N273 VanDerWaalsContact O-N 3.12Å; N268-L274 WeakPolarHBondContact O-CB 3.44Å; N268-L274 PolarHBondContact O-N 3.44Å
269	R	95.1	Very high	92.1	Very high	138 Å²	138	41.7 Å²	41.7	52%	0.521	20%	0.203	S	C	.	.	I	π-helix	trans	-98.8	-41.5	-171.4	-60.4	-175.7	165	-106	-4.6	113.5	W213 T215 E265 N273	W213-R269 HydrophobicContact CB-CB 4.4Å; W213-R269 VanDerWaalsContact O-CD 3.22Å; W213-R269 WeakPolarHBondContact O-CD 3.42Å; T215-R269 VanDerWaalsContact CG2-NH2 3.33Å; E265-R269 WeakPolarHBondContact O-CA 3.43Å; E265-R269 VanDerWaalsContact O-CB 3.23Å; E265-R269 WeakPolarHBondContact O-CB 3.48Å; E265-R269 PolarHBondContact O-N 3.49Å; R269-N273 WeakPolarHBondContact O-CA 3.49Å
270	R	95.8	Very high	92.8	Very high	50 Å²	50	41.9 Å²	41.9	19%	0.189	21%	0.209	C	C	.	.	I	π-helix	trans	-87	-44.8	-177	177.1	59.4	-167.4	108.8	-12.4	113	Y194 W213 Y266 E287	Y194-R270 PolarHBondContact OH-NE 3.04Å; Y194-R270 PolarHBondContact OH-NH1 3.07Å; Y194-R270 PolarHBondContact OH-NH2 3.34Å; W213-R270 HydrophobicContact CB-CB 4.16Å; W213-R270 HydrophobicContact CD2-CB 3.79Å; W213-R270 HydrophobicContact CD2-CG 4.01Å; W213-R270 HydrophobicContact CE3-CB 4.29Å; W213-R270 HydrophobicContact CE3-CG 4.03Å; W213-R270 HydrophobicContact CG-CB 3.71Å; W213-R270 HydrophobicContact CG-CG 4.42Å; W213-R270 HydrophobicContact CZ3-CG 4.42Å; Y266-R270 HydrophobicContact CD2-CB 3.89Å; Y266-R270 HydrophobicContact CD2-CG 3.93Å; Y266-R270 HydrophobicContact CE2-CB 4.2Å; Y266-R270 HydrophobicContact CE2-CG 3.71Å; Y266-R270 HydrophobicContact CG-CB 4.4Å; Y266-R270 CarbonylContact O-C 3.51Å; Y266-R270 WeakPolarHBondContact O-CA 3.23Å; Y266-R270 VanDerWaalsContact O-CB 3.26Å; Y266-R270 WeakPolarHBondContact O-CB 3.46Å; Y266-R270 PolarHBondContact O-N 3Å; R270-E287 IonicContact CZ-OE1 3.6Å; R270-E287 IonicContact NH1-OE1 2.69Å; R270-E287 PolarHBondContact NH1-OE1 3.07Å; R270-E287 IonicContact NH2-OE1 3.71Å; R270-E287 PolarHBondContact NH2-OE1 3.41Å
271	V	96.7	Very high	93.3	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.216	C	C	.	.	I	π-helix	trans	-81.8	-60.7	-176.6	-177.8	0	0	0	0	110.1	Y194 Y195 Y266 F267 L288	Y194-V271 HydrophobicContact CD1-CG1 4.17Å; Y194-V271 HydrophobicContact CD1-CG2 3.87Å; Y194-V271 HydrophobicContact CE1-CB 4.45Å; Y194-V271 HydrophobicContact CE1-CG1 4.49Å; Y194-V271 HydrophobicContact CE1-CG2 3.64Å; Y194-V271 HydrophobicContact CG-CG1 4.41Å; Y195-V271 HydrophobicContact CE2-CG1 4.38Å; Y195-V271 HydrophobicContact CE2-CG2 3.83Å; Y266-V271 HydrophobicContact CD1-CG2 3.68Å; Y266-V271 HydrophobicContact CE1-CG2 3.42Å; Y266-V271 VanDerWaalsContact CE1-CG2 3.42Å; Y266-V271 WeakPolarHBondContact O-CG2 3.22Å; Y266-V271 PolarHBondContact O-N 3.22Å; F267-V271 HydrophobicContact CD2-CB 4.3Å; F267-V271 HydrophobicContact CD2-CG1 4.41Å; F267-V271 WeakPolarHBondContact O-CB 3.43Å; F267-V271 PolarHBondContact O-N 3.37Å; V271-L288 HydrophobicContact CG1-CD1 4.45Å; V271-L288 HydrophobicContact CG1-CD2 3.86Å; V271-L288 WeakPolarHBondContact O-CD1 3.35Å; V271-L288 WeakPolarHBondContact O-CG 3.38Å
272	L	95.6	Very high	93.7	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.042	23%	0.227	C	C	.	.	S	Bend	trans	-79.2	-33.4	-175.4	-62.3	179.4	0	0	0	112.8	W191 F267 L274 S285 L288 A519	W191-L272 HydrophobicContact CD2-CD2 4.31Å; W191-L272 VanDerWaalsContact CE2-CD2 3.49Å; W191-L272 HydrophobicContact CH2-CD2 4.25Å; W191-L272 HydrophobicContact CZ2-CD2 3.46Å; W191-L272 VanDerWaalsContact CZ2-CD2 3.46Å; F267-L272 HydrophobicContact CD1-CD1 3.88Å; F267-L272 HydrophobicContact CD2-CD1 4.48Å; F267-L272 HydrophobicContact CD2-CG 4.35Å; F267-L272 HydrophobicContact CE1-CD1 3.49Å; F267-L272 VanDerWaalsContact CE1-CD1 3.49Å; F267-L272 HydrophobicContact CE1-CG 4.31Å; F267-L272 HydrophobicContact CE2-CD1 4.14Å; F267-L272 HydrophobicContact CE2-CD2 4.2Å; F267-L272 HydrophobicContact CE2-CG 4.08Å; F267-L272 HydrophobicContact CG-CD1 4.37Å; F267-L272 HydrophobicContact CZ-CD1 3.64Å; F267-L272 HydrophobicContact CZ-CD2 4.19Å; F267-L272 HydrophobicContact CZ-CG 4.06Å; F267-L272 WeakPolarHBondContact O-CB 3.34Å; F267-L272 WeakPolarHBondContact O-CG 3.28Å; F267-L272 PolarHBondContact O-N 3.09Å; L272-L274 VanDerWaalsContact C-N 3.27Å; L272-L274 HydrophobicContact CB-CB 4.37Å; L272-S285 PolarHBondContact O-OG 2.87Å; L272-L288 HydrophobicContact CD2-CD1 4.42Å; L272-A519 HydrophobicContact CD1-CB 3.99Å
273	N	94.8	Very high	93.9	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	25%	0.247	S	C	.	.			trans	52.6	49.5	-166.5	-169.5	27.2	0	0	0	110.8	N268 R269 G275 Q516	N268-N273 WeakPolarHBondContact O-CA 3.37Å; N268-N273 PolarHBondContact O-N 3.39Å; N268-N273 VanDerWaalsContact O-N 3.12Å; R269-N273 WeakPolarHBondContact O-CA 3.49Å; N273-G275 PolarHBondContact O-N 3.49Å; N273-Q516 PolarHBondContact ND2-NE2 3.42Å; N273-Q516 WeakPolarHBondContact O-CA 3.46Å; N273-Q516 WeakPolarHBondContact O-CB 3.43Å; N273-Q516 WeakPolarHBondContact O-CG 3.19Å
274	L	93.4	Very high	94	Very high	44 Å²	44	50.4 Å²	50.4	23%	0.23	27%	0.268	C	S	.	.			trans	-58.5	126.7	-168.7	-169.4	68.9	0	0	0	111.6	N268 L272 A519 Y520 Y606	N268-L274 WeakPolarHBondContact O-CB 3.44Å; N268-L274 PolarHBondContact O-N 3.44Å; L272-L274 VanDerWaalsContact C-N 3.27Å; L272-L274 HydrophobicContact CB-CB 4.37Å; L274-A519 HydrophobicContact CD1-CB 3.68Å; L274-Y520 HydrophobicContact CD1-CD2 4.36Å; L274-Y520 HydrophobicContact CD1-CE2 3.75Å; L274-Y520 HydrophobicContact CG-CE2 4.23Å; L274-Y606 HydrophobicContact CD2-CE1 4.25Å
275	G	93	Very high	94.3	Very high	13 Å²	13	48.8 Å²	48.8	13%	0.134	26%	0.261	C	S	.	.			trans	-86.8	-174.8	175.3	0	0	0	0	0	112.5	N273 G277 Q516 Y520	N273-G275 PolarHBondContact O-N 3.49Å; G275-G277 VanDerWaalsContact C-N 3.33Å; G275-G277 PolarHBondContact O-N 2.69Å; G275-Q516 PolarHBondContact N-O 2.91Å; G275-Y520 WeakPolarHBondContact O-CE2 3.13Å; G275-Y520 PolarHBondContact O-OH 3.47Å
276	D	90.7	Very high	94.4	Very high	146 Å²	146	56.3 Å²	56.3	78%	0.781	29%	0.289	S	S	*	.	S	Bend	trans	-76.4	-17.8	-173.6	-60.3	-39.2	0	0	0	114.3
277	G	91.5	Very high	94.5	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.031	30%	0.297	C	S	.	.			trans	171.1	-177.4	-177.7	0	0	0	0	0	114	G275 D279	G275-G277 VanDerWaalsContact C-N 3.33Å; G275-G277 PolarHBondContact O-N 2.69Å; G277-D279 VanDerWaalsContact C-N 3.32Å; G277-D279 PolarHBondContact O-N 3.45Å
278	I	93	Very high	94.6	Very high	12 Å²	12	57.9 Å²	57.9	6%	0.062	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.4	-176.7	-161.5	172.6	0	0	0	113.4	H280 I521 L524 Y609 Y611 P612 W614 A615	I278-H280 PolarHBondContact O-N 3.45Å; I278-I521 HydrophobicContact CD1-CG1 3.98Å; I278-I521 HydrophobicContact CG1-CG1 3.91Å; I278-L524 HydrophobicContact CD1-CD2 4.09Å; I278-Y609 WeakPolarHBondContact CG2-OH 3.24Å; I278-Y609 PolarHBondContact N-OH 3Å; I278-Y611 HydrophobicContact CD1-CE1 4.29Å; I278-P612 HydrophobicContact CG2-CG 3.71Å; I278-W614 HydrophobicContact CD1-CH2 4.24Å; I278-W614 HydrophobicContact CG1-CH2 4.04Å; I278-W614 HydrophobicContact CG2-CH2 3.91Å; I278-W614 HydrophobicContact CG2-CZ2 3.63Å; I278-A615 HydrophobicContact CD1-CB 4.19Å; I278-A615 HydrophobicContact CG2-CB 4.16Å
279	D	91.8	Very high	94.8	Very high	90 Å²	90	56.7 Å²	56.7	48%	0.481	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.2	177.6	-61.5	-63.1	0	0	0	113.1	G277 W614	G277-D279 VanDerWaalsContact C-N 3.32Å; G277-D279 PolarHBondContact O-N 3.45Å; D279-W614 VanDerWaalsContact OD1-CE2 3.27Å; D279-W614 VanDerWaalsContact OD1-CZ2 3.24Å; D279-W614 WeakPolarHBondContact OD1-CZ2 3.35Å; D279-W614 PolarHBondContact OD1-NE1 3.1Å
280	H	92.3	Very high	94.9	Very high	123 Å²	123	54.6 Å²	54.6	57%	0.569	29%	0.29	S	S	*	.			trans	-124.1	95.4	-177.3	-59.4	-41.2	0	0	0	110.3	I278 G282	I278-H280 PolarHBondContact O-N 3.45Å; H280-G282 PolarHBondContact O-N 3.11Å; H280-G282 VanDerWaalsContact O-N 3.15Å
281	L	93.2	Very high	95.1	Very high	86 Å²	86	52.8 Å²	52.8	45%	0.45	29%	0.286	S	S	.	.			trans	-53.6	-38.1	179.4	-70.9	173.6	0	0	0	112.8	L512 T515 Q516 A517 I521	L281-L512 HydrophobicContact CD1-CD1 4.25Å; L281-L512 HydrophobicContact CD2-CD1 3.55Å; L281-T515 VanDerWaalsContact O-CB 3.25Å; L281-T515 WeakPolarHBondContact O-CB 3.28Å; L281-T515 PolarHBondContact O-OG1 2.92Å; L281-Q516 PolarHBondContact O-N 2.99Å; L281-Q516 VanDerWaalsContact O-N 3.16Å; L281-A517 HydrophobicContact CD2-CB 4.25Å; L281-A517 PolarHBondContact O-N 2.85Å; L281-A517 VanDerWaalsContact O-N 3.17Å; L281-I521 HydrophobicContact CD2-CD1 3.91Å
282	G	94.6	Very high	95.1	Very high	48 Å²	48	52.8 Å²	52.8	50%	0.495	29%	0.285	S	S	.	.			trans	69.9	-158.3	-178.4	0	0	0	0	0	112.9	H280 Q516	H280-G282 PolarHBondContact O-N 3.11Å; H280-G282 VanDerWaalsContact O-N 3.15Å; G282-Q516 VanDerWaalsContact CA-OE1 3.28Å
283	S	95.6	Very high	95.3	Very high	62 Å²	62	55.4 Å²	55.4	43%	0.434	30%	0.299	S	S	.	.			trans	-84.2	157.6	178.2	60.8	0	0	0	0	112.9	T515 Q516	S283-T515 VanDerWaalsContact O-CA 3.31Å; S283-T515 WeakPolarHBondContact O-CA 3.21Å; S283-Q516 PolarHBondContact O-N 3.47Å; S283-Q516 VanDerWaalsContact O-N 3.16Å
284	L	96.5	Very high	95.5	Very high	82 Å²	82	56 Å²	56	43%	0.429	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-83	125.9	172.9	-177	77.7	0	0	0	110	W286 A289 L511 C514 T515	L284-W286 PolarHBondContact O-N 3.15Å; L284-W286 VanDerWaalsContact O-N 3.14Å; L284-A289 HydrophobicContact CD2-CB 4.14Å; L284-A289 HydrophobicContact CG-CB 4.41Å; L284-L511 HydrophobicContact CD1-CB 4.27Å; L284-L511 HydrophobicContact CD1-CD2 4.35Å; L284-L511 VanDerWaalsContact CD1-O 3.31Å; L284-L511 WeakPolarHBondContact CD1-O 3.12Å; L284-C514 HydrophobicContact CD1-CB 3.75Å; L284-T515 HydrophobicContact CD1-CG2 4.14Å
285	S	96.3	Very high	95.7	Very high	9 Å²	9	54 Å²	54	6%	0.063	29%	0.291	C	S	.	.			trans	-75.1	99.2	171.3	-64.1	0	0	0	0	109.6	L272 E287 L288 A289 C514	L272-S285 PolarHBondContact O-OG 2.87Å; S285-E287 VanDerWaalsContact C-N 3.29Å; S285-E287 PolarHBondContact O-N 3.34Å; S285-L288 PolarHBondContact O-N 2.88Å; S285-L288 VanDerWaalsContact O-N 3.15Å; S285-A289 PolarHBondContact O-N 3.49Å; S285-C514 WeakPolarHBondContact CB-O 3.13Å; S285-C514 PolarHBondContact N-O 3.25Å
286	W	96.6	Very high	96	Very high	165 Å²	165	53.6 Å²	53.6	63%	0.625	29%	0.286	S	S	*	.	H	α-helix	trans	-63.4	-31.9	-171.2	70.4	-88.4	0	0	0	113	L284 A289 L290	L284-W286 PolarHBondContact O-N 3.15Å; L284-W286 VanDerWaalsContact O-N 3.14Å; W286-A289 WeakPolarHBondContact O-CB 3.11Å; W286-A289 PolarHBondContact O-N 2.96Å; W286-L290 HydrophobicContact CE3-CD1 3.6Å; W286-L290 HydrophobicContact CE3-CG 4.4Å; W286-L290 HydrophobicContact CZ3-CD1 3.51Å; W286-L290 WeakPolarHBondContact O-CG 3.49Å; W286-L290 PolarHBondContact O-N 2.9Å
287	E	97.6	Very high	96.3	Very high	39 Å²	39	51.1 Å²	51.1	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-40.5	175.7	-57.9	97.6	135.1	0	0	111.9	Y194 R270 S285 L290 C291	Y194-E287 HydrophobicContact CD2-CB 4.19Å; Y194-E287 HydrophobicContact CE2-CB 3.69Å; Y194-E287 HydrophobicContact CE2-CG 4.44Å; R270-E287 IonicContact CZ-OE1 3.6Å; R270-E287 IonicContact NH1-OE1 2.69Å; R270-E287 PolarHBondContact NH1-OE1 3.07Å; R270-E287 IonicContact NH2-OE1 3.71Å; R270-E287 PolarHBondContact NH2-OE1 3.41Å; S285-E287 VanDerWaalsContact C-N 3.29Å; S285-E287 PolarHBondContact O-N 3.34Å; E287-L290 PolarHBondContact O-N 3.13Å; E287-C291 PolarHBondContact O-N 2.96Å; E287-C291 PolarHBondContact O-SG 3.36Å
288	L	97.7	Very high	96.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-65.8	-40.1	173.5	-75.2	-172.4	0	0	0	111.3	Y194 V271 L272 S285 L290 C291 L292 C514	Y194-L288 HydrophobicContact CD2-CD2 4.03Å; Y194-L288 HydrophobicContact CG-CD2 4.28Å; V271-L288 HydrophobicContact CG1-CD1 4.45Å; V271-L288 HydrophobicContact CG1-CD2 3.86Å; V271-L288 WeakPolarHBondContact O-CD1 3.35Å; V271-L288 WeakPolarHBondContact O-CG 3.38Å; L272-L288 HydrophobicContact CD2-CD1 4.42Å; S285-L288 PolarHBondContact O-N 2.88Å; S285-L288 VanDerWaalsContact O-N 3.15Å; L288-L290 PolarHBondContact O-N 3.14Å; L288-C291 PolarHBondContact O-N 2.96Å; L288-C291 VanDerWaalsContact O-N 3.16Å; L288-L292 WeakPolarHBondContact O-CB 3.44Å; L288-L292 PolarHBondContact O-N 3.38Å; L288-C514 HydrophobicContact CB-CB 4.27Å
289	A	98.3	Very high	96.9	Very high	8 Å²	8	55.1 Å²	55.1	7%	0.066	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-35.3	175.5	0	0	0	0	0	112.2	L284 S285 W286 L293 Y507 L511	L284-A289 HydrophobicContact CD2-CB 4.14Å; L284-A289 HydrophobicContact CG-CB 4.41Å; S285-A289 PolarHBondContact O-N 3.49Å; W286-A289 WeakPolarHBondContact O-CB 3.11Å; W286-A289 PolarHBondContact O-N 2.96Å; A289-L293 WeakPolarHBondContact O-CB 3.4Å; A289-L293 PolarHBondContact O-N 3.47Å; A289-Y507 WeakPolarHBondContact O-CE2 3.4Å; A289-Y507 PolarHBondContact O-OH 3.29Å; A289-L511 HydrophobicContact CB-CD2 3.67Å
290	L	98.4	Very high	97.2	Very high	93 Å²	93	51.8 Å²	51.8	49%	0.487	27%	0.271	S	S	.	.	H	α-helix	trans	-70.9	-42.2	172.9	-71.6	176	0	0	0	112.4	W286 E287 L288 L292 L293 L294	W286-L290 HydrophobicContact CE3-CD1 3.6Å; W286-L290 HydrophobicContact CE3-CG 4.4Å; W286-L290 HydrophobicContact CZ3-CD1 3.51Å; W286-L290 WeakPolarHBondContact O-CG 3.49Å; W286-L290 PolarHBondContact O-N 2.9Å; E287-L290 PolarHBondContact O-N 3.13Å; L288-L290 PolarHBondContact O-N 3.14Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.32Å; L290-L293 WeakPolarHBondContact O-CB 3.46Å; L290-L293 PolarHBondContact O-N 3.23Å; L290-L294 PolarHBondContact O-N 2.94Å
291	C	98.6	Very high	97.5	Very high	13 Å²	13	48.6 Å²	48.6	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-39.9	175.6	-65.1	0	0	0	0	111.4	S190 V193 E287 L288 L294 A295	S190-C291 WeakPolarHBondContact O-CB 3.47Å; V193-C291 HydrophobicContact CB-CB 4.22Å; V193-C291 HydrophobicContact CG1-CB 3.98Å; E287-C291 PolarHBondContact O-N 2.96Å; E287-C291 PolarHBondContact O-SG 3.36Å; L288-C291 PolarHBondContact O-N 2.96Å; L288-C291 VanDerWaalsContact O-N 3.16Å; C291-L294 PolarHBondContact O-N 3.33Å; C291-A295 PolarHBondContact O-N 3.1Å
292	L	98.6	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-41.2	176.1	-179	64.8	0	0	0	111.2	N186 V187 L288 L290 L294 A295 W296 Y507 C514	N186-L292 HydrophobicContact CB-CD1 4.21Å; V187-L292 HydrophobicContact CG2-CD1 3.94Å; V187-L292 HydrophobicContact CG2-CD2 4.37Å; L288-L292 WeakPolarHBondContact O-CB 3.44Å; L288-L292 PolarHBondContact O-N 3.38Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.32Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.26Å; L292-A295 PolarHBondContact O-N 3.39Å; L292-W296 VanDerWaalsContact O-CD1 3.3Å; L292-W296 PolarHBondContact O-N 3.05Å; L292-Y507 HydrophobicContact CB-CE2 4.45Å; L292-Y507 HydrophobicContact CD2-CD2 4.1Å; L292-Y507 HydrophobicContact CD2-CE2 4.34Å; L292-Y507 HydrophobicContact CG-CD2 4.02Å; L292-Y507 HydrophobicContact CG-CE2 4.31Å; L292-C514 VanDerWaalsContact CD2-SG 3.59Å
293	L	98.6	Very high	97.8	Very high	63 Å²	63	42.9 Å²	42.9	33%	0.33	23%	0.225	S	C	.	.	H	α-helix	trans	-59.2	-46.3	174.1	-179.7	62.1	0	0	0	110.7	A289 L290 A295 W296 I297 Y507	A289-L293 WeakPolarHBondContact O-CB 3.4Å; A289-L293 PolarHBondContact O-N 3.47Å; L290-L293 WeakPolarHBondContact O-CB 3.46Å; L290-L293 PolarHBondContact O-N 3.23Å; L293-A295 PolarHBondContact O-N 3.19Å; L293-W296 PolarHBondContact O-N 3.35Å; L293-I297 HydrophobicContact CD1-CD1 4.34Å; L293-I297 HydrophobicContact CG-CD1 4.01Å; L293-I297 VanDerWaalsContact O-CG1 3.3Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 3.31Å; L293-Y507 HydrophobicContact CB-CD2 4.3Å; L293-Y507 HydrophobicContact CB-CE2 3.63Å; L293-Y507 HydrophobicContact CD1-CD1 4.37Å; L293-Y507 HydrophobicContact CD1-CD2 4.31Å; L293-Y507 HydrophobicContact CD1-CE1 4.15Å; L293-Y507 HydrophobicContact CD1-CE2 4.11Å; L293-Y507 HydrophobicContact CD1-CG 4.43Å; L293-Y507 HydrophobicContact CG-CE2 4.45Å
294	L	98.5	Very high	97.9	Very high	75 Å²	75	42.7 Å²	42.7	39%	0.393	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-43.9	177.7	-175.3	64	0	0	0	111.7	V193 L290 C291 L292 W296 I297 F298	V193-L294 HydrophobicContact CG1-CD2 3.93Å; L290-L294 PolarHBondContact O-N 2.94Å; C291-L294 PolarHBondContact O-N 3.33Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.26Å; L294-W296 PolarHBondContact O-N 3.14Å; L294-I297 WeakPolarHBondContact O-CB 3.37Å; L294-I297 PolarHBondContact O-N 2.99Å; L294-F298 HydrophobicContact CD1-CD2 4.32Å; L294-F298 HydrophobicContact CD1-CE2 3.83Å; L294-F298 HydrophobicContact CD1-CZ 4.44Å; L294-F298 HydrophobicContact CD2-CE2 4.08Å; L294-F298 HydrophobicContact CG-CD2 4.02Å; L294-F298 HydrophobicContact CG-CE2 3.64Å; L294-F298 WeakPolarHBondContact O-CD2 3.18Å; L294-F298 PolarHBondContact O-N 3.1Å
295	A	98.5	Very high	97.8	Very high	1 Å²	1	46 Å²	46	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-44.6	176.3	0	0	0	0	0	112	N186 I189 C291 L292 L293 I297 F298 V299	N186-A295 WeakPolarHBondContact OD1-CB 3.29Å; I189-A295 HydrophobicContact CG2-CB 4.08Å; C291-A295 PolarHBondContact O-N 3.1Å; L292-A295 PolarHBondContact O-N 3.39Å; L293-A295 PolarHBondContact O-N 3.19Å; A295-I297 PolarHBondContact O-N 3.35Å; A295-F298 WeakPolarHBondContact O-CB 3.23Å; A295-F298 PolarHBondContact O-N 2.89Å; A295-V299 WeakPolarHBondContact O-CG2 3.27Å; A295-V299 PolarHBondContact O-N 3.25Å; A295-V299 VanDerWaalsContact O-N 3.07Å
296	W	98.6	Very high	97.6	Very high	6 Å²	6	45.5 Å²	45.5	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-35	174.8	-81.8	112.1	0	0	0	113.5	A182 N186 L292 L293 L294 F298 V299 C300 Q471 V475 C503 Y507	A182-W296 HydrophobicContact CB-CH2 4.49Å; N186-W296 HydrophobicContact CB-CZ2 4Å; N186-W296 PolarHBondContact ND2-N 3.16Å; N186-W296 PolarHBondContact ND2-NE1 3.02Å; N186-W296 VanDerWaalsContact ND2-NE1 3.11Å; L292-W296 VanDerWaalsContact O-CD1 3.3Å; L292-W296 PolarHBondContact O-N 3.05Å; L293-W296 PolarHBondContact O-N 3.35Å; L294-W296 PolarHBondContact O-N 3.14Å; W296-F298 VanDerWaalsContact C-N 3.33Å; W296-V299 HydrophobicContact CE3-CB 4.39Å; W296-V299 HydrophobicContact CE3-CG1 4.39Å; W296-V299 HydrophobicContact CZ3-CG1 4.3Å; W296-V299 PolarHBondContact O-N 2.82Å; W296-C300 VanDerWaalsContact O-CB 3.22Å; W296-C300 WeakPolarHBondContact O-CB 3.04Å; W296-C300 PolarHBondContact O-N 2.9Å; W296-Q471 VanDerWaalsContact CH2-NE2 3.29Å; W296-V475 HydrophobicContact CH2-CG2 4.06Å; W296-V475 HydrophobicContact CZ3-CG2 3.81Å; W296-C503 HydrophobicContact CE3-CB 3.83Å; W296-C503 HydrophobicContact CZ3-CB 4.41Å; W296-Y507 AromaticContact CD1-CD2 3.91Å
297	I	98.4	Very high	97.5	Very high	94 Å²	94	37.7 Å²	37.7	48%	0.482	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-43.7	173	-72.1	167.3	0	0	0	110.3	L293 L294 A295 C300 A301	L293-I297 HydrophobicContact CD1-CD1 4.34Å; L293-I297 HydrophobicContact CG-CD1 4.01Å; L293-I297 VanDerWaalsContact O-CG1 3.3Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 3.31Å; L294-I297 WeakPolarHBondContact O-CB 3.37Å; L294-I297 PolarHBondContact O-N 2.99Å; A295-I297 PolarHBondContact O-N 3.35Å; I297-C300 PolarHBondContact O-N 3.33Å; I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.45Å; I297-A301 PolarHBondContact O-N 3.49Å
298	F	97.6	Very high	97.4	Very high	99 Å²	99	41.3 Å²	41.3	43%	0.434	21%	0.212	S	C	.	.	H	α-helix	trans	-60.3	-50.8	175.7	-80.5	-63.5	0	0	0	112.1	L294 A295 W296 C300 A301 I302 I468	L294-F298 HydrophobicContact CD1-CD2 4.32Å; L294-F298 HydrophobicContact CD1-CE2 3.83Å; L294-F298 HydrophobicContact CD1-CZ 4.44Å; L294-F298 HydrophobicContact CD2-CE2 4.08Å; L294-F298 HydrophobicContact CG-CD2 4.02Å; L294-F298 HydrophobicContact CG-CE2 3.64Å; L294-F298 WeakPolarHBondContact O-CD2 3.18Å; L294-F298 PolarHBondContact O-N 3.1Å; A295-F298 WeakPolarHBondContact O-CB 3.23Å; A295-F298 PolarHBondContact O-N 2.89Å; W296-F298 VanDerWaalsContact C-N 3.33Å; F298-C300 VanDerWaalsContact C-N 3.32Å; F298-C300 PolarHBondContact O-N 2.99Å; F298-A301 PolarHBondContact O-N 2.87Å; F298-I302 VanDerWaalsContact O-CG1 3.29Å; F298-I302 WeakPolarHBondContact O-CG1 3.43Å; F298-I302 PolarHBondContact O-N 3.26Å; F298-I468 HydrophobicContact CB-CD1 4.2Å
299	V	98.4	Very high	97.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-46.6	178.1	174.8	0	0	0	0	110.9	A295 W296 A301 I302 L303 Q471 V475	A295-V299 WeakPolarHBondContact O-CG2 3.27Å; A295-V299 PolarHBondContact O-N 3.25Å; A295-V299 VanDerWaalsContact O-N 3.07Å; W296-V299 HydrophobicContact CE3-CB 4.39Å; W296-V299 HydrophobicContact CE3-CG1 4.39Å; W296-V299 HydrophobicContact CZ3-CG1 4.3Å; W296-V299 PolarHBondContact O-N 2.82Å; V299-A301 PolarHBondContact O-N 3.12Å; V299-I302 PolarHBondContact O-N 3.12Å; V299-L303 HydrophobicContact CG1-CD1 3.9Å; V299-L303 WeakPolarHBondContact O-CG 3.2Å; V299-L303 PolarHBondContact O-N 3.38Å; V299-L303 VanDerWaalsContact O-N 3.08Å; V299-Q471 HydrophobicContact CG1-CG 4.41Å; V299-Q471 HydrophobicContact CG2-CB 4.38Å; V299-Q471 HydrophobicContact CG2-CG 3.47Å; V299-Q471 VanDerWaalsContact CG2-CG 3.47Å; V299-V475 HydrophobicContact CG1-CB 4.3Å; V299-V475 HydrophobicContact CG1-CG1 4.41Å; V299-V475 HydrophobicContact CG1-CG2 4.04Å
300	C	98.3	Very high	97.2	Very high	19 Å²	19	42 Å²	42	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-46.3	177.4	-175	0	0	0	0	111.4	W296 I297 F298 I302 L303 I304 C503	W296-C300 VanDerWaalsContact O-CB 3.22Å; W296-C300 WeakPolarHBondContact O-CB 3.04Å; W296-C300 PolarHBondContact O-N 2.9Å; I297-C300 PolarHBondContact O-N 3.33Å; F298-C300 VanDerWaalsContact C-N 3.32Å; F298-C300 PolarHBondContact O-N 2.99Å; C300-I302 VanDerWaalsContact C-N 3.33Å; C300-I302 PolarHBondContact O-N 3.45Å; C300-L303 PolarHBondContact O-N 3.38Å; C300-I304 VanDerWaalsContact O-CB 3.3Å; C300-I304 WeakPolarHBondContact O-CB 3.44Å; C300-I304 PolarHBondContact O-N 2.81Å; C300-C503 HydrophobicContact CB-CB 4.1Å
301	A	97.9	Very high	97.1	Very high	56 Å²	56	37.6 Å²	37.6	46%	0.463	19%	0.193	S	C	.	.	H	α-helix	trans	-62.2	-38.2	-179.9	0	0	0	0	0	112.5	I297 F298 V299 I304	I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.45Å; I297-A301 PolarHBondContact O-N 3.49Å; F298-A301 PolarHBondContact O-N 2.87Å; V299-A301 PolarHBondContact O-N 3.12Å; A301-I304 VanDerWaalsContact O-CG2 3.28Å; A301-I304 WeakPolarHBondContact O-CG2 3.44Å
302	I	98.2	Very high	97.1	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.077	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-45.2	177.2	-64.8	168.5	0	0	0	110.6	F298 V299 C300 S309 M310 V313 I468 I472	F298-I302 VanDerWaalsContact O-CG1 3.29Å; F298-I302 WeakPolarHBondContact O-CG1 3.43Å; F298-I302 PolarHBondContact O-N 3.26Å; V299-I302 PolarHBondContact O-N 3.12Å; C300-I302 VanDerWaalsContact C-N 3.33Å; C300-I302 PolarHBondContact O-N 3.45Å; I302-S309 VanDerWaalsContact O-CB 3.31Å; I302-S309 WeakPolarHBondContact O-CB 3.39Å; I302-S309 PolarHBondContact O-OG 2.79Å; I302-M310 HydrophobicContact CG2-CB 4.33Å; I302-M310 HydrophobicContact CG2-CG 4.41Å; I302-V313 HydrophobicContact CD1-CG1 4.01Å; I302-V313 HydrophobicContact CG1-CG1 4.05Å; I302-V313 HydrophobicContact CG1-CG2 4.32Å; I302-V313 HydrophobicContact CG2-CB 4.22Å; I302-V313 HydrophobicContact CG2-CG1 4.42Å; I302-V313 HydrophobicContact CG2-CG2 4.32Å; I302-I468 HydrophobicContact CD1-CG2 3.81Å; I302-I472 HydrophobicContact CB-CG2 4.21Å; I302-I472 HydrophobicContact CD1-CG2 3.97Å; I302-I472 HydrophobicContact CG2-CD1 4.45Å; I302-I472 HydrophobicContact CG2-CG2 3.97Å
303	L	97.8	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-87	-11.6	-173.5	-64.4	176.6	0	0	0	114.5	V299 C300 K305 G306 M310 I472 V475 E476 I479 V499	V299-L303 HydrophobicContact CG1-CD1 3.9Å; V299-L303 WeakPolarHBondContact O-CG 3.2Å; V299-L303 PolarHBondContact O-N 3.38Å; V299-L303 VanDerWaalsContact O-N 3.08Å; C300-L303 PolarHBondContact O-N 3.38Å; L303-K305 PolarHBondContact O-N 2.75Å; L303-G306 WeakPolarHBondContact O-CA 3.4Å; L303-G306 PolarHBondContact O-N 3.46Å; L303-M310 HydrophobicContact CD2-CB 4.35Å; L303-M310 HydrophobicContact CD2-CG 4.21Å; L303-M310 HydrophobicContact CD2-SD 4.2Å; L303-I472 HydrophobicContact CD2-CB 4.24Å; L303-I472 HydrophobicContact CG-CB 4.47Å; L303-V475 HydrophobicContact CD1-CB 3.75Å; L303-V475 HydrophobicContact CD1-CG1 3.63Å; L303-E476 HydrophobicContact CD2-CB 4.38Å; L303-I479 HydrophobicContact CB-CD1 4.29Å; L303-I479 HydrophobicContact CD1-CD1 3.86Å; L303-V499 HydrophobicContact CB-CG1 3.96Å
304	I	96	Very high	96.9	Very high	57 Å²	57	42 Å²	42	29%	0.292	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.4	-174	-160.1	166.2	0	0	0	113.1	C300 A301 V496	C300-I304 VanDerWaalsContact O-CB 3.3Å; C300-I304 WeakPolarHBondContact O-CB 3.44Å; C300-I304 PolarHBondContact O-N 2.81Å; A301-I304 VanDerWaalsContact O-CG2 3.28Å; A301-I304 WeakPolarHBondContact O-CG2 3.44Å; I304-V496 HydrophobicContact CD1-CG1 3.98Å; I304-V496 HydrophobicContact CG1-CB 4.46Å; I304-V496 HydrophobicContact CG1-CG1 3.9Å; I304-V496 HydrophobicContact CG1-CG2 4.11Å
305	K	94.3	Very high	96.8	Very high	151 Å²	151	42.6 Å²	42.6	66%	0.657	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	10.3	177.4	-78.3	175.4	-172.8	178.2	0	113	L303 S309 K495	L303-K305 PolarHBondContact O-N 2.75Å; K305-S309 VanDerWaalsContact CB-CB 3.48Å; K305-K495 WeakPolarHBondContact O-CE 3.26Å; K305-K495 PolarHBondContact O-NZ 2.91Å
306	G	93.9	Very high	96.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.231	C	C	.	.			trans	71.7	-162.9	178.9	0	0	0	0	0	113.7	L303 K308 S309 M310	L303-G306 WeakPolarHBondContact O-CA 3.4Å; L303-G306 PolarHBondContact O-N 3.46Å; G306-K308 PolarHBondContact O-N 3.45Å; G306-S309 PolarHBondContact O-N 2.82Å; G306-M310 PolarHBondContact O-N 2.88Å
307	V	94.5	Very high	96.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-26.8	-173.3	-61.4	0	0	0	0	114.2	E71 W73 S309 G311 Y383 E476	E71-V307 HydrophobicContact CB-CG2 4.08Å; W73-V307 HydrophobicContact CE3-CB 4.19Å; W73-V307 HydrophobicContact CH2-CB 3.95Å; W73-V307 HydrophobicContact CH2-CG1 4.25Å; W73-V307 HydrophobicContact CZ2-CB 4.33Å; W73-V307 HydrophobicContact CZ2-CG1 4.39Å; W73-V307 HydrophobicContact CZ3-CB 3.88Å; W73-V307 VanDerWaalsContact CZ3-O 3.28Å; W73-V307 WeakPolarHBondContact CZ3-O 3.33Å; V307-S309 VanDerWaalsContact C-N 3.34Å; V307-S309 PolarHBondContact O-N 3.29Å; V307-G311 PolarHBondContact O-N 3.44Å; V307-Y383 HydrophobicContact CG1-CD1 4.07Å; V307-Y383 HydrophobicContact CG1-CD2 3.79Å; V307-Y383 HydrophobicContact CG1-CE1 3.99Å; V307-Y383 HydrophobicContact CG1-CE2 3.67Å; V307-Y383 HydrophobicContact CG1-CG 3.98Å; V307-Y383 HydrophobicContact CG2-CD1 3.93Å; V307-Y383 HydrophobicContact CG2-CE1 4.25Å; V307-Y383 HydrophobicContact CG2-CG 4.29Å; V307-E476 HydrophobicContact CG1-CG 4.24Å
308	K	93.5	Very high	96.4	Very high	115 Å²	115	43.4 Å²	43.4	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-68	-31.3	176	-69.1	-175	178.4	-179.6	0	113.4	G306 K312	G306-K308 PolarHBondContact O-N 3.45Å; K308-K312 WeakPolarHBondContact O-CG 3.32Å
309	S	95.5	Very high	96.2	Very high	25 Å²	25	41.7 Å²	41.7	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-82.2	-45.2	176.2	175.4	0	0	0	0	110.7	I302 K305 G306 V307 G311 K312 V313	I302-S309 VanDerWaalsContact O-CB 3.31Å; I302-S309 WeakPolarHBondContact O-CB 3.39Å; I302-S309 PolarHBondContact O-OG 2.79Å; K305-S309 VanDerWaalsContact CB-CB 3.48Å; G306-S309 PolarHBondContact O-N 2.82Å; V307-S309 VanDerWaalsContact C-N 3.34Å; V307-S309 PolarHBondContact O-N 3.29Å; S309-G311 VanDerWaalsContact C-N 3.28Å; S309-G311 PolarHBondContact O-N 2.92Å; S309-K312 PolarHBondContact O-N 3.37Å; S309-V313 PolarHBondContact O-N 3.42Å
310	M	97.2	Very high	96.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-47.7	-51	170.1	-169.7	-166.2	-170.2	0	0	111.6	W73 I302 L303 G306 K312 V313 I314 L380 I472 V473	W73-M310 HydrophobicContact CH2-SD 3.92Å; I302-M310 HydrophobicContact CG2-CB 4.33Å; I302-M310 HydrophobicContact CG2-CG 4.41Å; L303-M310 HydrophobicContact CD2-CB 4.35Å; L303-M310 HydrophobicContact CD2-CG 4.21Å; L303-M310 HydrophobicContact CD2-SD 4.2Å; G306-M310 PolarHBondContact O-N 2.88Å; M310-K312 VanDerWaalsContact C-N 3.26Å; M310-K312 PolarHBondContact O-N 2.87Å; M310-V313 PolarHBondContact O-N 3.41Å; M310-I314 PolarHBondContact O-N 3.16Å; M310-L380 HydrophobicContact CE-CD2 4.18Å; M310-I472 HydrophobicContact CE-CB 3.93Å; M310-I472 HydrophobicContact CE-CD1 3.71Å; M310-I472 HydrophobicContact CE-CG1 3.5Å; M310-I472 HydrophobicContact CG-CD1 3.8Å; M310-I472 HydrophobicContact CG-CG1 4.43Å; M310-V473 HydrophobicContact CE-CB 4.27Å; M310-V473 HydrophobicContact CE-CG2 3.48Å; M310-V473 VanDerWaalsContact CE-CG2 3.48Å
311	G	96.3	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-21.6	178.2	0	0	0	0	0	114.9	E78 V307 S309 I314 Y315	E78-G311 WeakPolarHBondContact CG-O 3.21Å; V307-G311 PolarHBondContact O-N 3.44Å; S309-G311 VanDerWaalsContact C-N 3.28Å; S309-G311 PolarHBondContact O-N 2.92Å; G311-I314 VanDerWaalsContact O-CG2 3.3Å; G311-I314 WeakPolarHBondContact O-CG2 3.25Å; G311-Y315 VanDerWaalsContact O-CD2 3.28Å; G311-Y315 WeakPolarHBondContact O-CD2 3.13Å; G311-Y315 WeakPolarHBondContact O-CE2 3.5Å
312	K	97.6	Very high	95.7	Very high	124 Å²	124	42.1 Å²	42.1	54%	0.539	20%	0.2	S	C	.	.	H	α-helix	trans	-81.4	-41.7	172.2	-65.4	-53.8	-178.5	-164.6	0	111.9	E78 K308 S309 M310 I314	E78-K312 WeakPolarHBondContact OE1-CD 3.36Å; E78-K312 VanDerWaalsContact OE1-CE 3.28Å; E78-K312 WeakPolarHBondContact OE1-CE 3.22Å; E78-K312 IonicContact OE1-NZ 3.49Å; E78-K312 PolarHBondContact OE1-NZ 3.26Å; K308-K312 WeakPolarHBondContact O-CG 3.32Å; S309-K312 PolarHBondContact O-N 3.37Å; M310-K312 VanDerWaalsContact C-N 3.26Å; M310-K312 PolarHBondContact O-N 2.87Å; K312-I314 VanDerWaalsContact C-N 3.3Å; K312-I314 PolarHBondContact O-N 2.66Å
313	V	97.3	Very high	95.6	Very high	44 Å²	44	46.2 Å²	46.2	27%	0.267	23%	0.226	S	C	.	.	H	α-helix	trans	-66.6	-34.8	179.4	177.1	0	0	0	0	111.1	I302 S309 M310 Y315 F316 T317	I302-V313 HydrophobicContact CD1-CG1 4.01Å; I302-V313 HydrophobicContact CG1-CG1 4.05Å; I302-V313 HydrophobicContact CG1-CG2 4.32Å; I302-V313 HydrophobicContact CG2-CB 4.22Å; I302-V313 HydrophobicContact CG2-CG1 4.42Å; I302-V313 HydrophobicContact CG2-CG2 4.32Å; S309-V313 PolarHBondContact O-N 3.42Å; M310-V313 PolarHBondContact O-N 3.41Å; V313-Y315 PolarHBondContact O-N 2.96Å; V313-Y315 VanDerWaalsContact O-N 3.13Å; V313-F316 WeakPolarHBondContact O-CB 3.38Å; V313-F316 PolarHBondContact O-N 2.67Å; V313-T317 HydrophobicContact CG1-CG2 3.67Å; V313-T317 PolarHBondContact O-N 2.79Å; V313-T317 VanDerWaalsContact O-N 3.09Å; V313-T317 PolarHBondContact O-OG1 2.96Å
314	I	96.5	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-27.7	-178.3	-153.9	74.2	0	0	0	113.8	L81 M310 G311 K312 F316 T317 A318 D469 I472	L81-I314 HydrophobicContact CB-CG1 4.24Å; L81-I314 HydrophobicContact CB-CG2 3.89Å; M310-I314 PolarHBondContact O-N 3.16Å; G311-I314 VanDerWaalsContact O-CG2 3.3Å; G311-I314 WeakPolarHBondContact O-CG2 3.25Å; K312-I314 VanDerWaalsContact C-N 3.3Å; K312-I314 PolarHBondContact O-N 2.66Å; I314-F316 PolarHBondContact O-N 3.25Å; I314-T317 WeakPolarHBondContact CA-OG1 3.37Å; I314-A318 HydrophobicContact CD1-CB 4.23Å; I314-A318 HydrophobicContact CG1-CB 3.93Å; I314-A318 VanDerWaalsContact O-CB 3.26Å; I314-A318 WeakPolarHBondContact O-CB 3.48Å; I314-A318 PolarHBondContact O-N 2.97Å; I314-D469 HydrophobicContact CD1-CB 4.37Å; I314-D469 VanDerWaalsContact CD1-OD1 3.32Å; I314-D469 WeakPolarHBondContact CD1-OD1 3.49Å; I314-I472 HydrophobicContact CD1-CD1 4.08Å
315	Y	97.1	Very high	95.3	Very high	88 Å²	88	44.6 Å²	44.6	35%	0.345	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-30.2	174.9	-78.1	-75.9	0	0	0	112.2	S75 T77 E78 L81 G311 V313 T319	S75-Y315 PolarHBondContact OG-OH 2.95Å; T77-Y315 HydrophobicContact CG2-CE1 3.83Å; E78-Y315 HydrophobicContact CG-CE2 3.58Å; L81-Y315 HydrophobicContact CD1-CD1 3.55Å; L81-Y315 HydrophobicContact CD1-CE1 3.63Å; L81-Y315 HydrophobicContact CD1-CG 4.29Å; G311-Y315 VanDerWaalsContact O-CD2 3.28Å; G311-Y315 WeakPolarHBondContact O-CD2 3.13Å; G311-Y315 WeakPolarHBondContact O-CE2 3.5Å; V313-Y315 PolarHBondContact O-N 2.96Å; V313-Y315 VanDerWaalsContact O-N 3.13Å; Y315-T319 WeakPolarHBondContact O-CB 3.18Å; Y315-T319 WeakPolarHBondContact O-CG2 3.5Å; Y315-T319 PolarHBondContact O-OG1 3.49Å
316	F	97.1	Very high	95.4	Very high	106 Å²	106	41.6 Å²	41.6	47%	0.465	21%	0.208	S	C	.	.	H	α-helix	trans	-87.2	-56.4	175.1	179	-96.4	0	0	0	110.5	V313 I314 A318 T319 V320 F461 L465	V313-F316 WeakPolarHBondContact O-CB 3.38Å; V313-F316 PolarHBondContact O-N 2.67Å; I314-F316 PolarHBondContact O-N 3.25Å; F316-A318 VanDerWaalsContact C-N 3.35Å; F316-A318 PolarHBondContact O-N 3.39Å; F316-T319 PolarHBondContact O-N 2.83Å; F316-V320 HydrophobicContact CD2-CG2 3.6Å; F316-V320 HydrophobicContact CE2-CG2 3.59Å; F316-V320 HydrophobicContact CG-CG2 4.11Å; F316-V320 HydrophobicContact CZ-CG2 4.07Å; F316-V320 WeakPolarHBondContact O-CB 3.34Å; F316-V320 VanDerWaalsContact O-CG2 3.29Å; F316-V320 WeakPolarHBondContact O-CG2 3.14Å; F316-V320 PolarHBondContact O-N 3.45Å; F316-F461 HydrophobicContact CE1-CZ 4.12Å; F316-F461 HydrophobicContact CZ-CE1 4.4Å; F316-F461 HydrophobicContact CZ-CZ 4.01Å; F316-L465 HydrophobicContact CD1-CD2 4.24Å; F316-L465 HydrophobicContact CE1-CD1 4.31Å; F316-L465 HydrophobicContact CE1-CD2 3.82Å
317	T	95.9	Very high	95.4	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-65.7	-33.7	-169.8	56.3	0	0	0	0	113.3	V313 I314 P321 L465 I468 D469	V313-T317 HydrophobicContact CG1-CG2 3.67Å; V313-T317 PolarHBondContact O-N 2.79Å; V313-T317 VanDerWaalsContact O-N 3.09Å; V313-T317 PolarHBondContact O-OG1 2.96Å; I314-T317 WeakPolarHBondContact CA-OG1 3.37Å; T317-P321 WeakPolarHBondContact O-CD 3.41Å; T317-P321 WeakPolarHBondContact O-CG 3.45Å; T317-L465 HydrophobicContact CG2-CD2 3.99Å; T317-I468 HydrophobicContact CG2-CG2 4.3Å; T317-D469 WeakPolarHBondContact CB-OD1 3.11Å; T317-D469 PolarHBondContact OG1-OD1 2.96Å
318	A	93.6	Very high	95.3	Very high	7 Å²	7	43.3 Å²	43.3	6%	0.058	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-20.5	178.2	0	0	0	0	0	114	I314 F316 Y322 D469	I314-A318 HydrophobicContact CD1-CB 4.23Å; I314-A318 HydrophobicContact CG1-CB 3.93Å; I314-A318 VanDerWaalsContact O-CB 3.26Å; I314-A318 WeakPolarHBondContact O-CB 3.48Å; I314-A318 PolarHBondContact O-N 2.97Å; F316-A318 VanDerWaalsContact C-N 3.35Å; F316-A318 PolarHBondContact O-N 3.39Å; A318-Y322 WeakPolarHBondContact O-CD2 3.48Å; A318-Y322 WeakPolarHBondContact O-CE2 3.24Å; A318-D469 VanDerWaalsContact CA-OD2 3.27Å; A318-D469 WeakPolarHBondContact CA-OD2 3.47Å; A318-D469 WeakPolarHBondContact CB-OD2 3.47Å; A318-D469 PolarHBondContact N-OD2 3.48Å
319	T	93.5	Very high	95.3	Very high	63 Å²	63	39.5 Å²	39.5	39%	0.387	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-37.3	-175	69.4	0	0	0	0	113.4	Y315 F316 P321 Y322	Y315-T319 WeakPolarHBondContact O-CB 3.18Å; Y315-T319 WeakPolarHBondContact O-CG2 3.5Å; Y315-T319 PolarHBondContact O-OG1 3.49Å; F316-T319 PolarHBondContact O-N 2.83Å; T319-P321 VanDerWaalsContact C-CD 3.47Å; T319-Y322 PolarHBondContact O-N 2.97Å
320	V	95.7	Very high	95.3	Very high	29 Å²	29	43.2 Å²	43.2	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-37.6	-179.8	171.1	0	0	0	0	113.3	F316 Y322 V323 L324 F461 L465	F316-V320 HydrophobicContact CD2-CG2 3.6Å; F316-V320 HydrophobicContact CE2-CG2 3.59Å; F316-V320 HydrophobicContact CG-CG2 4.11Å; F316-V320 HydrophobicContact CZ-CG2 4.07Å; F316-V320 WeakPolarHBondContact O-CB 3.34Å; F316-V320 VanDerWaalsContact O-CG2 3.29Å; F316-V320 WeakPolarHBondContact O-CG2 3.14Å; F316-V320 PolarHBondContact O-N 3.45Å; V320-Y322 PolarHBondContact O-N 2.9Å; V320-Y322 VanDerWaalsContact O-N 3.13Å; V320-V323 WeakPolarHBondContact O-CB 3.43Å; V320-V323 PolarHBondContact O-N 3.13Å; V320-L324 HydrophobicContact CG1-CD1 3.75Å; V320-L324 HydrophobicContact CG1-CG 4Å; V320-L324 WeakPolarHBondContact O-CG 3.45Å; V320-L324 PolarHBondContact O-N 3.05Å; V320-L324 VanDerWaalsContact O-N 3.08Å; V320-F461 HydrophobicContact CG1-CE1 4.29Å; V320-L465 HydrophobicContact CB-CD1 3.92Å; V320-L465 HydrophobicContact CG1-CD1 3.63Å
321	P	94.2	Very high	95.1	Very high	4 Å²	4	46 Å²	46	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-53.1	-34.4	175.2	-30.8	37.8	0	0	0	113.9	T317 T319 V323 L324 L325 T462 L465 M466	T317-P321 WeakPolarHBondContact O-CD 3.41Å; T317-P321 WeakPolarHBondContact O-CG 3.45Å; T319-P321 VanDerWaalsContact C-CD 3.47Å; P321-V323 PolarHBondContact O-N 3.01Å; P321-L324 PolarHBondContact O-N 3.38Å; P321-L325 VanDerWaalsContact O-CB 3.25Å; P321-L325 WeakPolarHBondContact O-CB 3.1Å; P321-L325 WeakPolarHBondContact O-CG 3.42Å; P321-L325 PolarHBondContact O-N 3.45Å; P321-T462 HydrophobicContact CB-CG2 4.1Å; P321-L465 HydrophobicContact CG-CB 3.92Å; P321-L465 HydrophobicContact CG-CD1 4.37Å; P321-M466 HydrophobicContact CB-CG 3.75Å; P321-M466 HydrophobicContact CB-SD 3.98Å; P321-M466 HydrophobicContact CG-CG 3.79Å
322	Y	94.4	Very high	94.9	Very high	50 Å²	50	46 Å²	46	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-38.7	177.1	-66.3	-71.4	0	0	0	112.8	A318 T319 V320 L326 F403 T404 L407	A318-Y322 WeakPolarHBondContact O-CD2 3.48Å; A318-Y322 WeakPolarHBondContact O-CE2 3.24Å; T319-Y322 PolarHBondContact O-N 2.97Å; V320-Y322 PolarHBondContact O-N 2.9Å; V320-Y322 VanDerWaalsContact O-N 3.13Å; Y322-L326 VanDerWaalsContact O-CB 3.24Å; Y322-L326 WeakPolarHBondContact O-CB 3.29Å; Y322-L326 PolarHBondContact O-N 3.38Å; Y322-F403 HydrophobicContact CD1-CD1 4.18Å; Y322-F403 AromaticContact CD1-CE1 3.76Å; Y322-F403 HydrophobicContact CD1-CE1 3.76Å; Y322-F403 AromaticContact CE1-CD1 3.74Å; Y322-F403 HydrophobicContact CE1-CD1 3.74Å; Y322-F403 AromaticContact CE1-CE1 3.83Å; Y322-F403 HydrophobicContact CE1-CE1 3.83Å; Y322-T404 WeakPolarHBondContact CE1-OG1 3.42Å; Y322-T404 PolarHBondContact OH-OG1 3.16Å; Y322-L407 HydrophobicContact CD1-CD2 4.13Å
323	V	95.7	Very high	94.8	Very high	102 Å²	102	42.7 Å²	42.7	62%	0.618	23%	0.23	S	C	*	.	H	α-helix	trans	-65.3	-43.6	175.7	179.3	0	0	0	0	110.1	V320 P321 L326 A327	V320-V323 WeakPolarHBondContact O-CB 3.43Å; V320-V323 PolarHBondContact O-N 3.13Å; P321-V323 PolarHBondContact O-N 3.01Å; V323-L326 PolarHBondContact O-N 3.41Å; V323-A327 PolarHBondContact O-N 3.14Å
324	L	94.6	Very high	94.7	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-43.7	-179.2	-60.2	174.7	0	0	0	112.3	V320 P321 L326 A327 L328 L458 F461 T462 L465	V320-L324 HydrophobicContact CG1-CD1 3.75Å; V320-L324 HydrophobicContact CG1-CG 4Å; V320-L324 WeakPolarHBondContact O-CG 3.45Å; V320-L324 PolarHBondContact O-N 3.05Å; V320-L324 VanDerWaalsContact O-N 3.08Å; P321-L324 PolarHBondContact O-N 3.38Å; L324-L326 VanDerWaalsContact C-N 3.32Å; L324-L326 PolarHBondContact O-N 3.41Å; L324-A327 PolarHBondContact O-N 3.13Å; L324-L328 WeakPolarHBondContact O-CG 3.18Å; L324-L328 PolarHBondContact O-N 3.32Å; L324-L458 HydrophobicContact CD2-CD2 3.67Å; L324-F461 HydrophobicContact CD1-CD1 3.64Å; L324-F461 HydrophobicContact CD1-CE1 4.25Å; L324-T462 HydrophobicContact CB-CG2 4.44Å; L324-T462 WeakPolarHBondContact CB-OG1 3.22Å; L324-T462 VanDerWaalsContact CD1-OG1 3.23Å; L324-T462 WeakPolarHBondContact CD1-OG1 3.13Å; L324-L465 HydrophobicContact CD1-CD1 4.32Å
325	L	93.5	Very high	94.5	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-40.4	173.8	-73.7	172.9	0	0	0	111.2	P321 L328 L329 T404 L407 V411 T462 M466	P321-L325 VanDerWaalsContact O-CB 3.25Å; P321-L325 WeakPolarHBondContact O-CB 3.1Å; P321-L325 WeakPolarHBondContact O-CG 3.42Å; P321-L325 PolarHBondContact O-N 3.45Å; L325-L328 PolarHBondContact O-N 3.04Å; L325-L329 WeakPolarHBondContact O-CB 3.33Å; L325-L329 PolarHBondContact O-N 3.46Å; L325-T404 HydrophobicContact CD1-CG2 4.22Å; L325-L407 HydrophobicContact CB-CD2 3.74Å; L325-L407 HydrophobicContact CB-CG 4.02Å; L325-L407 HydrophobicContact CD1-CD2 4.05Å; L325-L407 HydrophobicContact CD1-CG 4.39Å; L325-V411 HydrophobicContact CB-CG2 4.37Å; L325-V411 HydrophobicContact CD2-CG2 4.22Å; L325-V411 WeakPolarHBondContact O-CG2 3.45Å; L325-T462 HydrophobicContact CD2-CG2 4.23Å; L325-T462 HydrophobicContact CG-CG2 4.11Å; L325-M466 HydrophobicContact CD1-SD 4.37Å
326	L	95.6	Very high	94.3	Very high	89 Å²	89	45.3 Å²	45.3	47%	0.466	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-41.3	175.4	-177.8	61.8	0	0	0	112	Y322 V323 L324 L328 L329 I330	Y322-L326 VanDerWaalsContact O-CB 3.24Å; Y322-L326 WeakPolarHBondContact O-CB 3.29Å; Y322-L326 PolarHBondContact O-N 3.38Å; V323-L326 PolarHBondContact O-N 3.41Å; L324-L326 VanDerWaalsContact C-N 3.32Å; L324-L326 PolarHBondContact O-N 3.41Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L326-L329 PolarHBondContact O-N 2.8Å; L326-I330 HydrophobicContact CD1-CD1 4.33Å; L326-I330 HydrophobicContact CD1-CG1 4.37Å; L326-I330 HydrophobicContact CG-CD1 4.07Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.39Å; L326-I330 PolarHBondContact O-N 2.9Å
327	A	93.8	Very high	94.2	Very high	35 Å²	35	43.9 Å²	43.9	29%	0.289	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-43	175.4	0	0	0	0	0	111.8	V323 L324 I330 R331	V323-A327 PolarHBondContact O-N 3.14Å; L324-A327 PolarHBondContact O-N 3.13Å; A327-I330 PolarHBondContact O-N 2.96Å; A327-R331 PolarHBondContact O-N 2.92Å
328	L	92.5	Very high	94.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-38.5	174.4	-70.5	167.9	0	0	0	111.9	L324 L325 L326 R331 G332 V411 W455 F459	L324-L328 WeakPolarHBondContact O-CG 3.18Å; L324-L328 PolarHBondContact O-N 3.32Å; L325-L328 PolarHBondContact O-N 3.04Å; L326-L328 VanDerWaalsContact C-N 3.35Å; L328-R331 PolarHBondContact O-N 3.12Å; L328-G332 PolarHBondContact O-N 3.5Å; L328-V411 HydrophobicContact CB-CG1 3.73Å; L328-V411 HydrophobicContact CB-CG2 4.4Å; L328-V411 HydrophobicContact CD1-CG1 4.45Å; L328-W455 HydrophobicContact CD2-CE3 4.05Å; L328-F459 HydrophobicContact CD1-CB 4.46Å; L328-F459 HydrophobicContact CD1-CD2 4.07Å
329	L	94.2	Very high	94.2	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.188	27%	0.271	C	S	.	.	H	α-helix	trans	-65.4	-47.4	176.4	176.1	59	0	0	0	111.3	L325 L326 R331 G332 A333 L407 F410 V411	L325-L329 WeakPolarHBondContact O-CB 3.33Å; L325-L329 PolarHBondContact O-N 3.46Å; L326-L329 PolarHBondContact O-N 2.8Å; L329-R331 VanDerWaalsContact C-N 3.29Å; L329-R331 PolarHBondContact O-N 2.85Å; L329-G332 PolarHBondContact O-N 2.76Å; L329-A333 HydrophobicContact CD1-CB 4.5Å; L329-A333 WeakPolarHBondContact O-CB 3.26Å; L329-A333 PolarHBondContact O-N 3.46Å; L329-L407 HydrophobicContact CD2-CD1 3.73Å; L329-F410 HydrophobicContact CD1-CB 3.66Å; L329-F410 HydrophobicContact CD2-CB 4.44Å; L329-V411 HydrophobicContact CB-CG2 3.72Å
330	I	95.6	Very high	94.1	Very high	103 Å²	103	48 Å²	48	53%	0.528	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-48.5	178.2	-69.5	165.3	0	0	0	108.9	L326 A327 T334	L326-I330 HydrophobicContact CD1-CD1 4.33Å; L326-I330 HydrophobicContact CD1-CG1 4.37Å; L326-I330 HydrophobicContact CG-CD1 4.07Å; L326-I330 VanDerWaalsContact O-CG1 3.29Å; L326-I330 WeakPolarHBondContact O-CG1 3.39Å; L326-I330 PolarHBondContact O-N 2.9Å; A327-I330 PolarHBondContact O-N 2.96Å; I330-T334 VanDerWaalsContact O-CG2 3.23Å; I330-T334 WeakPolarHBondContact O-CG2 3.37Å; I330-T334 PolarHBondContact O-N 2.96Å; I330-T334 VanDerWaalsContact O-N 3.15Å; I330-T334 PolarHBondContact O-OG1 3.19Å
331	R	92.6	Very high	94	Very high	59 Å²	59	46.7 Å²	46.7	22%	0.223	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-50.8	177	177.9	60.2	-167.4	159.4	11.5	111.5	A327 L328 L329 A333 T334 L335 L449 W455	A327-R331 PolarHBondContact O-N 2.92Å; L328-R331 PolarHBondContact O-N 3.12Å; L329-R331 VanDerWaalsContact C-N 3.29Å; L329-R331 PolarHBondContact O-N 2.85Å; R331-A333 PolarHBondContact O-N 3.46Å; R331-T334 PolarHBondContact O-N 3.05Å; R331-T334 PolarHBondContact O-OG1 3.31Å; R331-L335 VanDerWaalsContact NH2-CD2 3.27Å; R331-L335 WeakPolarHBondContact O-CG 3.37Å; R331-L335 PolarHBondContact O-N 3.22Å; R331-L449 HydrophobicContact CG-CD1 4.35Å; R331-W455 HydrophobicContact CB-CE3 4.16Å; R331-W455 HydrophobicContact CB-CH2 3.52Å; R331-W455 HydrophobicContact CB-CZ2 3.95Å; R331-W455 HydrophobicContact CB-CZ3 3.63Å; R331-W455 HydrophobicContact CG-CD2 4.03Å; R331-W455 HydrophobicContact CG-CE3 4.14Å; R331-W455 HydrophobicContact CG-CH2 3.7Å; R331-W455 HydrophobicContact CG-CZ2 3.56Å; R331-W455 HydrophobicContact CG-CZ3 3.98Å
332	G	92.6	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-45.6	-178.6	0	0	0	0	0	112.7	L328 L329 T334 L335 A338 S414	L328-G332 PolarHBondContact O-N 3.5Å; L329-G332 PolarHBondContact O-N 2.76Å; G332-T334 VanDerWaalsContact C-N 3.31Å; G332-T334 PolarHBondContact O-N 2.91Å; G332-L335 WeakPolarHBondContact O-CB 3.41Å; G332-L335 PolarHBondContact O-N 3.06Å; G332-A338 WeakPolarHBondContact O-CB 3.42Å; G332-S414 WeakPolarHBondContact CA-OG 3.47Å
333	A	95.3	Very high	94.1	Very high	53 Å²	53	49.8 Å²	49.8	44%	0.438	28%	0.278	S	S	.	.	H	α-helix	trans	-70.5	-24	-179.7	0	0	0	0	0	113.5	L329 R331 L335	L329-A333 HydrophobicContact CD1-CB 4.5Å; L329-A333 WeakPolarHBondContact O-CB 3.26Å; L329-A333 PolarHBondContact O-N 3.46Å; R331-A333 PolarHBondContact O-N 3.46Å; A333-L335 VanDerWaalsContact C-N 3.31Å
334	T	94.9	Very high	93.9	Very high	96 Å²	96	48.1 Å²	48.1	59%	0.589	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.3	175.2	59.1	0	0	0	0	114.4	I330 R331 G332	I330-T334 VanDerWaalsContact O-CG2 3.23Å; I330-T334 WeakPolarHBondContact O-CG2 3.37Å; I330-T334 PolarHBondContact O-N 2.96Å; I330-T334 VanDerWaalsContact O-N 3.15Å; I330-T334 PolarHBondContact O-OG1 3.19Å; R331-T334 PolarHBondContact O-N 3.05Å; R331-T334 PolarHBondContact O-OG1 3.31Å; G332-T334 VanDerWaalsContact C-N 3.31Å; G332-T334 PolarHBondContact O-N 2.91Å
335	L	92.8	Very high	93.8	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	26%	0.259	C	S	.	.	S	Bend	trans	-75.1	150.3	177.3	-68.8	163.4	0	0	0	111.3	R331 G332 A333 A338 Y418 L449	R331-L335 VanDerWaalsContact NH2-CD2 3.27Å; R331-L335 WeakPolarHBondContact O-CG 3.37Å; R331-L335 PolarHBondContact O-N 3.22Å; G332-L335 WeakPolarHBondContact O-CB 3.41Å; G332-L335 PolarHBondContact O-N 3.06Å; A333-L335 VanDerWaalsContact C-N 3.31Å; L335-A338 HydrophobicContact CB-CB 4.26Å; L335-A338 WeakPolarHBondContact O-CB 3.29Å; L335-A338 PolarHBondContact O-N 3.28Å; L335-Y418 HydrophobicContact CB-CD1 4.4Å; L335-Y418 HydrophobicContact CB-CD2 4.16Å; L335-Y418 HydrophobicContact CB-CG 3.83Å; L335-Y418 HydrophobicContact CD1-CD1 3.76Å; L335-Y418 HydrophobicContact CD1-CG 3.96Å; L335-Y418 HydrophobicContact CD2-CD1 4.08Å; L335-Y418 HydrophobicContact CD2-CE1 4.19Å; L335-Y418 HydrophobicContact CD2-CG 4.25Å; L335-Y418 HydrophobicContact CG-CD1 4.29Å; L335-Y418 HydrophobicContact CG-CG 4.23Å; L335-L449 HydrophobicContact CD1-CD2 3.39Å; L335-L449 HydrophobicContact CD2-CD2 3.61Å; L335-L449 HydrophobicContact CG-CD2 4.09Å
336	P	93.1	Very high	93.8	Very high	80 Å²	80	50.7 Å²	50.7	52%	0.519	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	141.1	174.1	27	-32.3	0	0	0	109.8	A338 Y418	P336-A338 PolarHBondContact O-N 2.98Å; P336-Y418 HydrophobicContact CG-CD2 3.67Å; P336-Y418 HydrophobicContact CG-CE2 3.64Å; P336-Y418 WeakPolarHBondContact O-CD2 3.47Å
337	N	93.3	Very high	93.7	Very high	76 Å²	76	51.3 Å²	51.3	41%	0.406	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	11.6	178.5	-54.4	-32.4	0	0	0	115.8	I339 D340 G417 S421	N337-I339 PolarHBondContact O-N 3.29Å; N337-D340 PolarHBondContact O-N 2.68Å; N337-G417 CarbonylContact O-C 3.56Å; N337-S421 PolarHBondContact ND2-OG 2.99Å
338	A	94.4	Very high	93.8	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-55.3	-28.6	172	0	0	0	0	0	112.7	G332 L335 P336 D340 G341 I342 S414	G332-A338 WeakPolarHBondContact O-CB 3.42Å; L335-A338 HydrophobicContact CB-CB 4.26Å; L335-A338 WeakPolarHBondContact O-CB 3.29Å; L335-A338 PolarHBondContact O-N 3.28Å; P336-A338 PolarHBondContact O-N 2.98Å; A338-D340 PolarHBondContact O-N 2.86Å; A338-G341 PolarHBondContact O-N 3.47Å; A338-I342 WeakPolarHBondContact O-CG1 3.27Å; A338-I342 PolarHBondContact O-N 3.08Å; A338-I342 VanDerWaalsContact O-N 3.13Å; A338-S414 WeakPolarHBondContact CA-O 3.22Å; A338-S414 WeakPolarHBondContact CB-O 3.3Å
339	I	95.4	Very high	93.8	Very high	86 Å²	86	55 Å²	55	44%	0.441	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-28.4	177.6	-169	57.5	0	0	0	113.1	N337 I342 K343	N337-I339 PolarHBondContact O-N 3.29Å; I339-I342 HydrophobicContact CD1-CB 4.34Å; I339-I342 HydrophobicContact CD1-CG2 4.37Å; I339-I342 PolarHBondContact O-N 3.12Å; I339-K343 HydrophobicContact CG1-CD 4.4Å; I339-K343 HydrophobicContact CG1-CG 4.35Å; I339-K343 WeakPolarHBondContact O-CB 3.25Å; I339-K343 VanDerWaalsContact O-CG 3.28Å; I339-K343 WeakPolarHBondContact O-CG 3.4Å; I339-K343 PolarHBondContact O-N 3.16Å
340	D	93	Very high	93.8	Very high	74 Å²	74	59 Å²	59	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-71.1	-39.1	-177.7	-66.2	-29.2	0	0	0	111.5	N337 A338 K343 F344	N337-D340 PolarHBondContact O-N 2.68Å; A338-D340 PolarHBondContact O-N 2.86Å; D340-K343 PolarHBondContact O-N 3.46Å; D340-F344 PolarHBondContact O-N 3.19Å
341	G	93.7	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.8	-40.6	170.4	0	0	0	0	0	112.2	A338 K343 F344 F345 F413	A338-G341 PolarHBondContact O-N 3.47Å; G341-K343 VanDerWaalsContact C-N 3.29Å; G341-K343 PolarHBondContact O-N 3.34Å; G341-F344 WeakPolarHBondContact O-CB 3.44Å; G341-F344 PolarHBondContact O-N 3.36Å; G341-F344 VanDerWaalsContact O-N 3.1Å; G341-F345 PolarHBondContact O-N 3.39Å; G341-F413 CarbonylContact C-O 3.3Å; G341-F413 VanDerWaalsContact CA-O 3.24Å; G341-F413 WeakPolarHBondContact CA-O 3.38Å; G341-F413 WeakPolarHBondContact O-CB 3.49Å
342	I	95.1	Very high	93.7	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.128	32%	0.319	C	S	.	.	H	α-helix	trans	-59	-42.2	174.4	-66.5	169.5	0	0	0	110.9	A338 I339 F345 I346 F410	A338-I342 WeakPolarHBondContact O-CG1 3.27Å; A338-I342 PolarHBondContact O-N 3.08Å; A338-I342 VanDerWaalsContact O-N 3.13Å; I339-I342 HydrophobicContact CD1-CB 4.34Å; I339-I342 HydrophobicContact CD1-CG2 4.37Å; I339-I342 PolarHBondContact O-N 3.12Å; I342-F345 WeakPolarHBondContact O-CB 3.47Å; I342-F345 PolarHBondContact O-N 2.93Å; I342-F345 VanDerWaalsContact O-N 3.14Å; I342-I346 HydrophobicContact CG2-CD1 4.07Å; I342-I346 HydrophobicContact CG2-CG2 4.43Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 3.07Å; I342-F410 HydrophobicContact CG2-CD1 4.26Å; I342-F410 HydrophobicContact CG2-CE1 4.08Å
343	K	94.5	Very high	93.7	Very high	95 Å²	95	63 Å²	63	41%	0.413	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-45	173.5	-80.9	174.7	-178.4	168.9	0	111.5	I339 D340 G341 F345 I346 I347	I339-K343 HydrophobicContact CG1-CD 4.4Å; I339-K343 HydrophobicContact CG1-CG 4.35Å; I339-K343 WeakPolarHBondContact O-CB 3.25Å; I339-K343 VanDerWaalsContact O-CG 3.28Å; I339-K343 WeakPolarHBondContact O-CG 3.4Å; I339-K343 PolarHBondContact O-N 3.16Å; D340-K343 PolarHBondContact O-N 3.46Å; G341-K343 VanDerWaalsContact C-N 3.29Å; G341-K343 PolarHBondContact O-N 3.34Å; K343-F345 PolarHBondContact O-N 2.89Å; K343-I346 PolarHBondContact O-N 3.2Å; K343-I347 HydrophobicContact CB-CD1 3.72Å; K343-I347 HydrophobicContact CB-CG1 4.28Å; K343-I347 HydrophobicContact CD-CD1 4.39Å; K343-I347 HydrophobicContact CG-CD1 3.96Å; K343-I347 VanDerWaalsContact O-CB 3.23Å; K343-I347 WeakPolarHBondContact O-CB 3.39Å; K343-I347 VanDerWaalsContact O-CG1 3.23Å; K343-I347 WeakPolarHBondContact O-CG1 3.44Å; K343-I347 PolarHBondContact O-N 2.89Å
344	F	91.6	Very high	93.6	Very high	67 Å²	67	68.6 Å²	68.6	29%	0.294	35%	0.346	S	S	.	.	H	α-helix	trans	-57.7	-33.3	175.2	-174.2	-93	0	0	0	112.4	G101 D340 G341 F413 V427 D428	G101-F344 VanDerWaalsContact CA-CE1 3.48Å; D340-F344 PolarHBondContact O-N 3.19Å; G341-F344 WeakPolarHBondContact O-CB 3.44Å; G341-F344 PolarHBondContact O-N 3.36Å; G341-F344 VanDerWaalsContact O-N 3.1Å; F344-F413 AromaticContact CD1-CD1 3.86Å; F344-F413 HydrophobicContact CD1-CD1 3.86Å; F344-F413 AromaticContact CD1-CE1 3.32Å; F344-F413 HydrophobicContact CD1-CE1 3.32Å; F344-F413 AromaticContact CD1-CZ 3.95Å; F344-F413 HydrophobicContact CD1-CZ 3.95Å; F344-F413 AromaticContact CE1-CE1 3.64Å; F344-F413 HydrophobicContact CE1-CE1 3.64Å; F344-F413 HydrophobicContact CE1-CZ 4.05Å; F344-V427 HydrophobicContact CB-CB 4.46Å; F344-V427 HydrophobicContact CB-CG1 4.33Å; F344-V427 HydrophobicContact CD1-CB 4.41Å; F344-V427 HydrophobicContact CD1-CG1 3.78Å; F344-V427 HydrophobicContact CD2-CB 4.43Å; F344-V427 HydrophobicContact CE1-CG1 4.19Å; F344-V427 HydrophobicContact CG-CB 4.19Å; F344-V427 HydrophobicContact CG-CG1 4.01Å; F344-D428 HydrophobicContact CE2-CB 4.02Å; F344-D428 HydrophobicContact CZ-CB 3.91Å
345	F	93	Very high	93.3	Very high	1 Å²	1	67.9 Å²	67.9	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-75.3	-43.9	175.4	-178	-127	0	0	0	113.8	F96 C100 G105 A106 L109 G341 I342 K343 L406 F410 F413	F96-F345 HydrophobicContact CE1-CE2 4.22Å; F96-F345 HydrophobicContact CE1-CZ 4.26Å; C100-F345 HydrophobicContact CB-CD2 4.27Å; C100-F345 HydrophobicContact CB-CE2 4.01Å; C100-F345 VanDerWaalsContact SG-CD2 3.58Å; C100-F345 WeakPolarHBondContact SG-CE2 3.48Å; G105-F345 CarbonylContact C-O 3.41Å; G105-F345 WeakPolarHBondContact CA-O 3.44Å; A106-F345 PolarHBondContact N-O 2.96Å; A106-F345 VanDerWaalsContact N-O 3.11Å; L109-F345 HydrophobicContact CD1-CE2 4.33Å; L109-F345 HydrophobicContact CD1-CZ 4.15Å; L109-F345 HydrophobicContact CD2-CE2 4.3Å; L109-F345 HydrophobicContact CD2-CZ 4.4Å; G341-F345 PolarHBondContact O-N 3.39Å; I342-F345 WeakPolarHBondContact O-CB 3.47Å; I342-F345 PolarHBondContact O-N 2.93Å; I342-F345 VanDerWaalsContact O-N 3.14Å; K343-F345 PolarHBondContact O-N 2.89Å; F345-L406 HydrophobicContact CZ-CD2 4.09Å; F345-F410 HydrophobicContact CD1-CD1 4.01Å; F345-F410 AromaticContact CD1-CE1 3.96Å; F345-F410 HydrophobicContact CD1-CE1 3.96Å; F345-F410 HydrophobicContact CD1-CG 4.32Å; F345-F410 HydrophobicContact CD1-CZ 4.21Å; F345-F410 HydrophobicContact CE1-CD1 4.22Å; F345-F410 AromaticContact CE1-CD2 3.97Å; F345-F410 HydrophobicContact CE1-CD2 3.97Å; F345-F410 HydrophobicContact CE1-CE1 4.16Å; F345-F410 AromaticContact CE1-CE2 3.9Å; F345-F410 HydrophobicContact CE1-CE2 3.9Å; F345-F410 HydrophobicContact CE1-CG 4.11Å; F345-F410 AromaticContact CE1-CZ 3.99Å; F345-F410 HydrophobicContact CE1-CZ 3.99Å; F345-F413 HydrophobicContact CB-CB 3.95Å; F345-F413 HydrophobicContact CB-CD2 3.53Å; F345-F413 HydrophobicContact CB-CE2 4.17Å; F345-F413 HydrophobicContact CB-CG 3.77Å; F345-F413 AromaticContact CD2-CD2 3.52Å; F345-F413 HydrophobicContact CD2-CD2 3.52Å; F345-F413 AromaticContact CD2-CE2 3.63Å; F345-F413 HydrophobicContact CD2-CE2 3.63Å; F345-F413 HydrophobicContact CE2-CD2 4.4Å; F345-F413 HydrophobicContact CE2-CE2 4.43Å; F345-F413 AromaticContact CG-CD2 3.66Å; F345-F413 HydrophobicContact CG-CD2 3.66Å; F345-F413 HydrophobicContact CG-CE2 4.2Å; F345-F413 HydrophobicContact CG-CG 4.35Å
346	I	93.6	Very high	93.1	Very high	75 Å²	75	69.9 Å²	69.9	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-98	-18.7	-169	71.3	-177.3	0	0	0	115	A106 I342 K343 P348 F410	A106-I346 WeakPolarHBondContact CB-O 3.44Å; I342-I346 HydrophobicContact CG2-CD1 4.07Å; I342-I346 HydrophobicContact CG2-CG2 4.43Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 3.07Å; K343-I346 PolarHBondContact O-N 3.2Å; I346-P348 WeakPolarHBondContact O-CD 3.31Å; I346-F410 HydrophobicContact CG2-CE1 3.76Å; I346-F410 HydrophobicContact CG2-CZ 3.98Å
347	I	93.9	Very high	92.7	Very high	102 Å²	102	67.8 Å²	67.8	52%	0.523	34%	0.34	S	S	.	.	S	Bend	trans	-79	120	178.5	-65.2	177.2	0	0	0	108.1	K343	K343-I347 HydrophobicContact CB-CD1 3.72Å; K343-I347 HydrophobicContact CB-CG1 4.28Å; K343-I347 HydrophobicContact CD-CD1 4.39Å; K343-I347 HydrophobicContact CG-CD1 3.96Å; K343-I347 VanDerWaalsContact O-CB 3.23Å; K343-I347 WeakPolarHBondContact O-CB 3.39Å; K343-I347 VanDerWaalsContact O-CG1 3.23Å; K343-I347 WeakPolarHBondContact O-CG1 3.44Å; K343-I347 PolarHBondContact O-N 2.89Å
348	P	94.2	Very high	92.4	Very high	51 Å²	51	64.1 Å²	64.1	33%	0.331	32%	0.321	S	S	.	.			trans	-79.5	129.6	-178.1	30.4	-32.9	0	0	0	111.7	A106 A107 I346 F350	A106-P348 HydrophobicContact CB-CB 4.09Å; A107-P348 HydrophobicContact CB-CB 4.13Å; I346-P348 WeakPolarHBondContact O-CD 3.31Å; P348-F350 HydrophobicContact CB-CD2 4.22Å; P348-F350 HydrophobicContact CB-CE1 4.22Å; P348-F350 HydrophobicContact CB-CE2 3.76Å; P348-F350 HydrophobicContact CB-CZ 3.75Å; P348-F350 HydrophobicContact CG-CD2 4.27Å; P348-F350 HydrophobicContact CG-CE2 3.5Å; P348-F350 VanDerWaalsContact CG-CE2 3.5Å; P348-F350 HydrophobicContact CG-CZ 3.72Å
349	D	93.3	Very high	92.1	Very high	63 Å²	63	68.5 Å²	68.5	34%	0.337	34%	0.337	S	S	.	.			trans	-97.3	93.6	161	-178.1	6.6	0	0	0	110	G104 A107 N351 R352	G104-D349 PolarHBondContact O-N 3.49Å; A107-D349 WeakPolarHBondContact CB-O 3.28Å; D349-N351 PolarHBondContact O-N 3.15Å; D349-N351 WeakPolarHBondContact OD1-CB 3.39Å; D349-N351 PolarHBondContact OD1-N 2.82Å; D349-N351 PolarHBondContact OD1-ND2 3.06Å; D349-R352 HydrophobicContact CB-CG 4.21Å; D349-R352 WeakPolarHBondContact O-CB 3.46Å; D349-R352 PolarHBondContact O-N 3.27Å; D349-R352 IonicContact OD2-NE 3.8Å
350	F	95.1	Very high	91.6	Very high	120 Å²	120	64.5 Å²	64.5	53%	0.526	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16	-179.5	-66.9	-73.1	0	0	0	113.8	A107 L110 P348 R352 L353	A107-F350 HydrophobicContact CB-CD1 4.5Å; L110-F350 HydrophobicContact CD1-CE1 4.03Å; P348-F350 HydrophobicContact CB-CD2 4.22Å; P348-F350 HydrophobicContact CB-CE1 4.22Å; P348-F350 HydrophobicContact CB-CE2 3.76Å; P348-F350 HydrophobicContact CB-CZ 3.75Å; P348-F350 HydrophobicContact CG-CD2 4.27Å; P348-F350 HydrophobicContact CG-CE2 3.5Å; P348-F350 VanDerWaalsContact CG-CE2 3.5Å; P348-F350 HydrophobicContact CG-CZ 3.72Å; F350-R352 PolarHBondContact O-N 3.3Å; F350-L353 HydrophobicContact CD1-CD1 3.85Å; F350-L353 WeakPolarHBondContact O-CB 3.39Å; F350-L353 PolarHBondContact O-N 3.33Å
351	N	95.2	Very high	91.2	Very high	102 Å²	102	63 Å²	63	55%	0.545	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-66.4	-31	176.4	-68.7	-54.9	0	0	0	111.7	D349 L353 K354	D349-N351 PolarHBondContact O-N 3.15Å; D349-N351 WeakPolarHBondContact OD1-CB 3.39Å; D349-N351 PolarHBondContact OD1-N 2.82Å; D349-N351 PolarHBondContact OD1-ND2 3.06Å; N351-L353 PolarHBondContact O-N 2.69Å; N351-K354 WeakPolarHBondContact O-CB 3.26Å; N351-K354 PolarHBondContact O-N 3.25Å
352	R	90.2	Very high	91	Very high	93 Å²	93	63 Å²	63	35%	0.351	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60.5	-27.5	175.9	-66.2	-59.8	-170.3	165.7	6.8	112.8	D349 F350 K354 E355 V358	D349-R352 HydrophobicContact CB-CG 4.21Å; D349-R352 WeakPolarHBondContact O-CB 3.46Å; D349-R352 PolarHBondContact O-N 3.27Å; D349-R352 IonicContact OD2-NE 3.8Å; F350-R352 PolarHBondContact O-N 3.3Å; R352-K354 PolarHBondContact O-N 2.82Å; R352-K354 VanDerWaalsContact O-N 3.07Å; R352-E355 VanDerWaalsContact CD-OE1 3.26Å; R352-E355 WeakPolarHBondContact CD-OE1 3.24Å; R352-E355 IonicContact CZ-OE1 3.28Å; R352-E355 IonicContact NE-OE1 3.85Å; R352-E355 IonicContact NH1-OE1 3.99Å; R352-E355 PolarHBondContact NH1-OE1 3.1Å; R352-E355 IonicContact NH1-OE2 2.88Å; R352-E355 PolarHBondContact NH1-OE2 3.3Å; R352-E355 WeakPolarHBondContact O-CB 3.42Å; R352-E355 PolarHBondContact O-N 3.27Å; R352-V358 HydrophobicContact CB-CG2 4.14Å; R352-V358 VanDerWaalsContact O-CG2 3.24Å; R352-V358 WeakPolarHBondContact O-CG2 3.49Å
353	L	91.2	Very high	90.6	Very high	49 Å²	49	62 Å²	62	26%	0.257	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64.7	-14.8	179	-59.6	-172.7	0	0	0	114.3	A107 V111 F350 N351 E355 V358 W359	A107-L353 HydrophobicContact CB-CD2 4Å; A107-L353 HydrophobicContact CB-CG 4.16Å; V111-L353 HydrophobicContact CG2-CD2 3.44Å; V111-L353 VanDerWaalsContact CG2-CD2 3.44Å; F350-L353 HydrophobicContact CD1-CD1 3.85Å; F350-L353 WeakPolarHBondContact O-CB 3.39Å; F350-L353 PolarHBondContact O-N 3.33Å; N351-L353 PolarHBondContact O-N 2.69Å; L353-E355 VanDerWaalsContact C-N 3.3Å; L353-V358 HydrophobicContact CD2-CG1 4.21Å; L353-W359 PolarHBondContact O-NE1 3.15Å; L353-W359 VanDerWaalsContact O-NE1 3.1Å
354	K	93.5	Very high	90.1	Very high	171 Å²	171	58.8 Å²	58.8	74%	0.743	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-75.3	-20.4	173.7	-63.2	174.2	-176.9	164.9	0	112.4	N351 R352	N351-K354 WeakPolarHBondContact O-CB 3.26Å; N351-K354 PolarHBondContact O-N 3.25Å; R352-K354 PolarHBondContact O-N 2.82Å; R352-K354 VanDerWaalsContact O-N 3.07Å
355	E	89.4	Confident	90	Very high	81 Å²	81	55.6 Å²	55.6	38%	0.379	28%	0.278	S	S	.	.	S	Bend	trans	-84.5	125.4	-179.2	-60.3	175	-146.4	0	0	110.1	R352 L353 A357 V358	R352-E355 VanDerWaalsContact CD-OE1 3.26Å; R352-E355 WeakPolarHBondContact CD-OE1 3.24Å; R352-E355 IonicContact CZ-OE1 3.28Å; R352-E355 IonicContact NE-OE1 3.85Å; R352-E355 IonicContact NH1-OE1 3.99Å; R352-E355 PolarHBondContact NH1-OE1 3.1Å; R352-E355 IonicContact NH1-OE2 2.88Å; R352-E355 PolarHBondContact NH1-OE2 3.3Å; R352-E355 WeakPolarHBondContact O-CB 3.42Å; R352-E355 PolarHBondContact O-N 3.27Å; L353-E355 VanDerWaalsContact C-N 3.3Å; E355-A357 PolarHBondContact O-N 2.88Å; E355-V358 HydrophobicContact CB-CG2 4.17Å; E355-V358 PolarHBondContact O-N 3.39Å
356	S	87.9	Confident	89.8	Confident	55 Å²	55	55.5 Å²	55.5	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-28.5	178.8	57.8	0	0	0	0	113.1	V358 W359 G360 Q600	S356-V358 VanDerWaalsContact C-N 3.27Å; S356-V358 PolarHBondContact O-N 2.83Å; S356-W359 PolarHBondContact O-N 3.45Å; S356-W359 VanDerWaalsContact O-N 3.16Å; S356-G360 PolarHBondContact O-N 3.47Å; S356-G360 VanDerWaalsContact O-N 3.1Å; S356-Q600 PolarHBondContact OG-NE2 3.25Å; S356-Q600 PolarHBondContact OG-OE1 2.8Å
357	A	84.4	Confident	89.6	Confident	35 Å²	35	52 Å²	52	29%	0.289	26%	0.26	S	S	.	.	H	α-helix	trans	-59.6	-37.1	179.2	0	0	0	0	0	112	E355 W359 G360 D361	E355-A357 PolarHBondContact O-N 2.88Å; A357-W359 VanDerWaalsContact C-N 3.28Å; A357-W359 PolarHBondContact O-N 2.79Å; A357-G360 PolarHBondContact O-N 3.46Å; A357-D361 WeakPolarHBondContact O-CB 3.43Å; A357-D361 PolarHBondContact O-N 2.98Å
358	V	88.6	Confident	89.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-40.4	177.5	172.6	0	0	0	0	111.5	N103 F108 R352 L353 E355 S356 A362	N103-V358 HydrophobicContact CB-CB 4.46Å; N103-V358 HydrophobicContact CB-CG1 4.15Å; N103-V358 HydrophobicContact CB-CG2 3.93Å; F108-V358 HydrophobicContact CD2-CG1 4.2Å; R352-V358 HydrophobicContact CB-CG2 4.14Å; R352-V358 VanDerWaalsContact O-CG2 3.24Å; R352-V358 WeakPolarHBondContact O-CG2 3.49Å; L353-V358 HydrophobicContact CD2-CG1 4.21Å; E355-V358 HydrophobicContact CB-CG2 4.17Å; E355-V358 PolarHBondContact O-N 3.39Å; S356-V358 VanDerWaalsContact C-N 3.27Å; S356-V358 PolarHBondContact O-N 2.83Å; V358-A362 VanDerWaalsContact O-CB 3.31Å; V358-A362 WeakPolarHBondContact O-CB 3.24Å; V358-A362 PolarHBondContact O-N 3.02Å; V358-A362 VanDerWaalsContact O-N 3.1Å
359	W	88.1	Confident	89.1	Confident	94 Å²	94	46.2 Å²	46.2	36%	0.356	23%	0.226	S	C	.	.	H	α-helix	trans	-73.4	-37	178.5	-67.3	85.5	0	0	0	112.3	V111 L114 L353 S356 A357 A363 F596	V111-W359 HydrophobicContact CG1-CD2 3.78Å; V111-W359 HydrophobicContact CG1-CE3 3.48Å; V111-W359 VanDerWaalsContact CG1-CE3 3.48Å; V111-W359 HydrophobicContact CG1-CG 4.34Å; V111-W359 HydrophobicContact CG1-CH2 4.39Å; V111-W359 HydrophobicContact CG1-CZ3 3.82Å; V111-W359 HydrophobicContact CG2-CD2 4.42Å; V111-W359 HydrophobicContact CG2-CH2 4.2Å; V111-W359 HydrophobicContact CG2-CZ2 4.06Å; V111-W359 HydrophobicContact CG2-CZ3 4.44Å; L114-W359 HydrophobicContact CD2-CH2 4.12Å; L114-W359 HydrophobicContact CD2-CZ3 3.97Å; L353-W359 PolarHBondContact O-NE1 3.15Å; L353-W359 VanDerWaalsContact O-NE1 3.1Å; S356-W359 PolarHBondContact O-N 3.45Å; S356-W359 VanDerWaalsContact O-N 3.16Å; A357-W359 VanDerWaalsContact C-N 3.28Å; A357-W359 PolarHBondContact O-N 2.79Å; W359-A363 PolarHBondContact O-N 3.19Å; W359-A363 VanDerWaalsContact O-N 3.14Å; W359-F596 HydrophobicContact CB-CE1 3.63Å; W359-F596 HydrophobicContact CB-CZ 4.03Å
360	G	83.8	Confident	89	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-52.2	173.9	0	0	0	0	0	111.8	S356 A357 A362 A363 V364 N597	S356-G360 PolarHBondContact O-N 3.47Å; S356-G360 VanDerWaalsContact O-N 3.1Å; A357-G360 PolarHBondContact O-N 3.46Å; G360-A362 VanDerWaalsContact C-N 3.29Å; G360-A362 PolarHBondContact O-N 3.49Å; G360-A363 PolarHBondContact O-N 2.88Å; G360-V364 WeakPolarHBondContact O-CG2 3.39Å; G360-V364 PolarHBondContact O-N 3.23Å; G360-N597 WeakPolarHBondContact CA-OD1 3.42Å; G360-N597 PolarHBondContact O-OD1 3.23Å
361	D	86.1	Confident	88.8	Confident	43 Å²	43	38.3 Å²	38.3	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-42.6	177.7	-78.4	-8.2	0	0	0	112	L99 N103 F108 A357 A363 Q365	L99-D361 HydrophobicContact CD2-CB 4.1Å; N103-D361 WeakPolarHBondContact ND2-CB 3.4Å; N103-D361 PolarHBondContact ND2-OD2 3.19Å; F108-D361 HydrophobicContact CE2-CB 4.11Å; A357-D361 WeakPolarHBondContact O-CB 3.43Å; A357-D361 PolarHBondContact O-N 2.98Å; D361-A363 VanDerWaalsContact C-N 3.35Å; D361-A363 PolarHBondContact O-N 3.07Å; D361-Q365 VanDerWaalsContact O-CB 3.25Å; D361-Q365 WeakPolarHBondContact O-CB 3.43Å; D361-Q365 PolarHBondContact O-N 3.31Å
362	A	89.2	Confident	88.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-44.9	176.6	0	0	0	0	0	111.1	F108 V111 V358 G360 Q365 V366	F108-A362 HydrophobicContact CD2-CB 4.3Å; F108-A362 HydrophobicContact CE2-CB 3.68Å; F108-A362 HydrophobicContact CZ-CB 4.09Å; V111-A362 HydrophobicContact CB-CB 4.31Å; V111-A362 HydrophobicContact CG1-CB 3.63Å; V358-A362 VanDerWaalsContact O-CB 3.31Å; V358-A362 WeakPolarHBondContact O-CB 3.24Å; V358-A362 PolarHBondContact O-N 3.02Å; V358-A362 VanDerWaalsContact O-N 3.1Å; G360-A362 VanDerWaalsContact C-N 3.29Å; G360-A362 PolarHBondContact O-N 3.49Å; A362-Q365 PolarHBondContact O-N 3.36Å; A362-V366 VanDerWaalsContact O-CG2 3.27Å; A362-V366 WeakPolarHBondContact O-CG2 3.4Å; A362-V366 PolarHBondContact O-N 3.15Å
363	A	85.6	Confident	88.5	Confident	2 Å²	2	29 Å²	29	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-69	-44.3	179.9	0	0	0	0	0	113.2	V115 W359 G360 D361 Q365 V366 F367 V593 N597	V115-A363 HydrophobicContact CG1-CB 3.87Å; W359-A363 PolarHBondContact O-N 3.19Å; W359-A363 VanDerWaalsContact O-N 3.14Å; G360-A363 PolarHBondContact O-N 2.88Å; D361-A363 VanDerWaalsContact C-N 3.35Å; D361-A363 PolarHBondContact O-N 3.07Å; A363-Q365 VanDerWaalsContact C-N 3.27Å; A363-Q365 PolarHBondContact O-N 2.86Å; A363-V366 PolarHBondContact O-N 3.36Å; A363-F367 VanDerWaalsContact O-CD2 3.24Å; A363-F367 WeakPolarHBondContact O-CD2 3.32Å; A363-F367 PolarHBondContact O-N 3.19Å; A363-F367 VanDerWaalsContact O-N 3.07Å; A363-V593 HydrophobicContact CB-CG1 4.15Å; A363-N597 WeakPolarHBondContact CB-ND2 3.4Å; A363-N597 WeakPolarHBondContact CB-OD1 3.4Å
364	V	84.3	Confident	88.4	Confident	28 Å²	28	27.1 Å²	27.1	17%	0.17	14%	0.14	C	C	.	.	H	α-helix	trans	-55.8	-46.2	172.3	178.3	0	0	0	0	110.2	G360 V366 F367 F368 L535	G360-V364 WeakPolarHBondContact O-CG2 3.39Å; G360-V364 PolarHBondContact O-N 3.23Å; V364-V366 PolarHBondContact O-N 3.24Å; V364-F367 PolarHBondContact O-N 3.41Å; V364-F368 WeakPolarHBondContact O-CB 3.31Å; V364-F368 PolarHBondContact O-N 2.66Å; V364-L535 HydrophobicContact CG2-CD1 3.87Å
365	Q	88.6	Confident	88.3	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.9	-39.3	179	-176.8	58.8	31.5	0	0	112.6	R95 F96 L99 F112 D361 A362 A363 S369	R95-Q365 VanDerWaalsContact CG-OE1 3.24Å; F96-Q365 HydrophobicContact CD2-CG 4.2Å; L99-Q365 HydrophobicContact CD1-CB 3.75Å; L99-Q365 HydrophobicContact CD1-CG 4.05Å; F112-Q365 HydrophobicContact CD2-CG 4.28Å; F112-Q365 HydrophobicContact CE2-CG 3.97Å; D361-Q365 VanDerWaalsContact O-CB 3.25Å; D361-Q365 WeakPolarHBondContact O-CB 3.43Å; D361-Q365 PolarHBondContact O-N 3.31Å; A362-Q365 PolarHBondContact O-N 3.36Å; A363-Q365 VanDerWaalsContact C-N 3.27Å; A363-Q365 PolarHBondContact O-N 2.86Å; Q365-S369 WeakPolarHBondContact O-CB 3.44Å; Q365-S369 PolarHBondContact O-N 3.17Å; Q365-S369 PolarHBondContact O-OG 2.71Å
366	V	90.4	Very high	88.7	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-50.3	177.5	164.2	0	0	0	0	111.5	F112 V115 I116 A362 A363 V364 S369 M370	F112-V366 HydrophobicContact CD2-CG2 3.51Å; F112-V366 HydrophobicContact CE2-CG2 3.7Å; F112-V366 HydrophobicContact CG-CG2 4.34Å; V115-V366 HydrophobicContact CB-CG2 4Å; V115-V366 HydrophobicContact CG1-CB 3.99Å; V115-V366 HydrophobicContact CG1-CG1 4.19Å; V115-V366 HydrophobicContact CG1-CG2 3.9Å; I116-V366 HydrophobicContact CB-CG1 4.47Å; I116-V366 HydrophobicContact CB-CG2 4.44Å; I116-V366 HydrophobicContact CD1-CG2 4.37Å; I116-V366 HydrophobicContact CG1-CB 4.22Å; I116-V366 HydrophobicContact CG1-CG1 3.81Å; I116-V366 HydrophobicContact CG1-CG2 3.44Å; I116-V366 VanDerWaalsContact CG1-CG2 3.44Å; A362-V366 VanDerWaalsContact O-CG2 3.27Å; A362-V366 WeakPolarHBondContact O-CG2 3.4Å; A362-V366 PolarHBondContact O-N 3.15Å; A363-V366 PolarHBondContact O-N 3.36Å; V364-V366 PolarHBondContact O-N 3.24Å; V366-S369 PolarHBondContact O-N 2.86Å; V366-S369 PolarHBondContact O-OG 2.9Å; V366-M370 HydrophobicContact CG1-SD 4.3Å; V366-M370 WeakPolarHBondContact O-CB 3.24Å; V366-M370 WeakPolarHBondContact O-CG 3.36Å; V366-M370 PolarHBondContact O-N 3.07Å
367	F	88.3	Confident	89.1	Confident	1 Å²	1	12.5 Å²	12.5	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-69	-38.4	-176.6	-79.5	-109.3	0	0	0	111.4	M123 A363 V364 S371 V372 L535 C538 V593 L594	M123-F367 HydrophobicContact CB-CE1 4.42Å; M123-F367 HydrophobicContact CG-CE1 3.75Å; M123-F367 HydrophobicContact CG-CZ 4.15Å; A363-F367 VanDerWaalsContact O-CD2 3.24Å; A363-F367 WeakPolarHBondContact O-CD2 3.32Å; A363-F367 PolarHBondContact O-N 3.19Å; A363-F367 VanDerWaalsContact O-N 3.07Å; V364-F367 PolarHBondContact O-N 3.41Å; F367-S371 PolarHBondContact O-N 3.4Å; F367-V372 HydrophobicContact CB-CG2 3.83Å; F367-V372 HydrophobicContact CD1-CG2 3.49Å; F367-V372 VanDerWaalsContact CD1-CG2 3.49Å; F367-V372 HydrophobicContact CE1-CG2 4.33Å; F367-V372 HydrophobicContact CG-CG2 3.9Å; F367-V372 VanDerWaalsContact O-CG2 3.26Å; F367-V372 WeakPolarHBondContact O-CG2 3.27Å; F367-V372 PolarHBondContact O-N 3.37Å; F367-L535 HydrophobicContact CB-CD2 3.47Å; F367-L535 VanDerWaalsContact CB-CD2 3.47Å; F367-L535 HydrophobicContact CD1-CD2 3.8Å; F367-L535 HydrophobicContact CD2-CD2 3.98Å; F367-L535 HydrophobicContact CG-CD2 3.47Å; F367-L535 VanDerWaalsContact CG-CD2 3.47Å; F367-C538 HydrophobicContact CD1-CB 4.2Å; F367-C538 HydrophobicContact CE1-CB 4.04Å; F367-V593 HydrophobicContact CE2-CG1 4Å; F367-V593 HydrophobicContact CZ-CG1 4.44Å; F367-L594 HydrophobicContact CD1-CD2 3.98Å; F367-L594 HydrophobicContact CE1-CD1 4.39Å; F367-L594 HydrophobicContact CE1-CD2 3.44Å; F367-L594 VanDerWaalsContact CE1-CD2 3.44Å; F367-L594 HydrophobicContact CE1-CG 4.15Å; F367-L594 HydrophobicContact CE2-CD2 4.35Å; F367-L594 HydrophobicContact CZ-CD2 3.65Å; F367-L594 HydrophobicContact CZ-CG 4.09Å
368	F	86.6	Confident	89.6	Confident	27 Å²	27	10.8 Å²	10.8	12%	0.118	5%	0.054	C	C	.	.	H	α-helix	trans	-65.6	-49.8	173.6	-175.7	-98.9	0	0	0	112.3	V364 M370 S371 G530 L534	V364-F368 WeakPolarHBondContact O-CB 3.31Å; V364-F368 PolarHBondContact O-N 2.66Å; F368-M370 PolarHBondContact O-N 3.49Å; F368-S371 WeakPolarHBondContact O-CA 3.3Å; F368-S371 PolarHBondContact O-N 3.39Å; F368-S371 PolarHBondContact O-OG 2.94Å; F368-G530 WeakPolarHBondContact CD2-O 3.41Å; F368-L534 HydrophobicContact CD2-CD1 4.19Å
369	S	91	Very high	90	Very high	4 Å²	4	10.9 Å²	10.9	3%	0.028	5%	0.054	C	C	.	.	H	α-helix	trans	-65.9	-36.6	-178.5	64.1	0	0	0	0	112.4	A87 Q365 V366 S371 N401	A87-S369 CarbonylContact C-O 3.48Å; A87-S369 VanDerWaalsContact C-O 3.3Å; A87-S369 WeakPolarHBondContact CA-O 3.47Å; A87-S369 WeakPolarHBondContact CB-O 3.45Å; Q365-S369 WeakPolarHBondContact O-CB 3.44Å; Q365-S369 PolarHBondContact O-N 3.17Å; Q365-S369 PolarHBondContact O-OG 2.71Å; V366-S369 PolarHBondContact O-N 2.86Å; V366-S369 PolarHBondContact O-OG 2.9Å; S369-S371 PolarHBondContact O-N 3.02Å; S369-N401 PolarHBondContact OG-ND2 3.05Å; S369-N401 VanDerWaalsContact OG-ND2 3.07Å
370	M	91.1	Very high	90.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.9	173.9	-64.4	-170.4	69.5	0	0	113.2	I116 G120 A124 V366 F368 V372	I116-M370 HydrophobicContact CG1-SD 4.47Å; I116-M370 HydrophobicContact CG2-SD 4.28Å; G120-M370 WeakPolarHBondContact CA-SD 3.18Å; A124-M370 HydrophobicContact CB-CE 3.77Å; V366-M370 HydrophobicContact CG1-SD 4.3Å; V366-M370 WeakPolarHBondContact O-CB 3.24Å; V366-M370 WeakPolarHBondContact O-CG 3.36Å; V366-M370 PolarHBondContact O-N 3.07Å; F368-M370 PolarHBondContact O-N 3.49Å; M370-V372 HydrophobicContact CB-CG1 4.26Å; M370-V372 PolarHBondContact O-N 3.26Å
371	S	91.1	Very high	91.1	Very high	18 Å²	18	6.3 Å²	6.3	13%	0.126	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	39.6	-179.3	-58.7	0	0	0	0	113.5	F86 F367 F368 S369	F86-S371 VanDerWaalsContact CD1-CB 3.47Å; F86-S371 WeakPolarHBondContact CE1-O 3.39Å; F86-S371 PolarHBondContact O-OG 3.46Å; F86-S371 VanDerWaalsContact O-OG 3.05Å; F367-S371 PolarHBondContact O-N 3.4Å; F368-S371 WeakPolarHBondContact O-CA 3.3Å; F368-S371 PolarHBondContact O-N 3.39Å; F368-S371 PolarHBondContact O-OG 2.94Å; S369-S371 PolarHBondContact O-N 3.02Å
372	V	91.3	Very high	91.6	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.			trans	-86.8	151.3	174.5	-68.6	0	0	0	0	110.4	M123 A124 E127 F367 M370 A374 L377	M123-V372 HydrophobicContact CB-CB 4.48Å; M123-V372 HydrophobicContact CB-CG1 4.23Å; A124-V372 HydrophobicContact CB-CG1 4Å; E127-V372 VanDerWaalsContact OE1-CA 3.31Å; E127-V372 WeakPolarHBondContact OE1-CA 3.47Å; E127-V372 WeakPolarHBondContact OE1-CB 3.43Å; F367-V372 HydrophobicContact CB-CG2 3.83Å; F367-V372 HydrophobicContact CD1-CG2 3.49Å; F367-V372 VanDerWaalsContact CD1-CG2 3.49Å; F367-V372 HydrophobicContact CE1-CG2 4.33Å; F367-V372 HydrophobicContact CG-CG2 3.9Å; F367-V372 VanDerWaalsContact O-CG2 3.26Å; F367-V372 WeakPolarHBondContact O-CG2 3.27Å; F367-V372 PolarHBondContact O-N 3.37Å; M370-V372 HydrophobicContact CB-CG1 4.26Å; M370-V372 PolarHBondContact O-N 3.26Å; V372-A374 PolarHBondContact O-N 3.49Å; V372-L377 HydrophobicContact CG1-CD1 3.83Å
373	G	88.6	Confident	91.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.026	C	C	.	.	S	Bend	trans	94.2	-26.2	178.2	0	0	0	0	0	114	E127 M174 G375 Q537 C538	E127-G373 PolarHBondContact OE1-N 3.46Å; M174-G373 WeakPolarHBondContact CE-O 3.28Å; M174-G373 WeakPolarHBondContact CG-O 3.5Å; G373-G375 VanDerWaalsContact C-N 3.32Å; G373-G375 PolarHBondContact O-N 2.98Å; G373-Q537 PolarHBondContact O-OE1 2.81Å; G373-C538 WeakPolarHBondContact CA-SG 3.49Å
374	A	88.7	Confident	92.4	Very high	8 Å²	8	4.5 Å²	4.5	7%	0.066	3%	0.027	C	C	.	.	S	Bend	trans	-82.3	-4.1	-177.2	0	0	0	0	0	114.4	S178 V372 G376 L534	S178-A374 PolarHBondContact OG-O 2.91Å; V372-A374 PolarHBondContact O-N 3.49Å; A374-G376 VanDerWaalsContact C-N 3.25Å; A374-G376 PolarHBondContact O-N 3.42Å; A374-L534 HydrophobicContact CB-CD2 3.88Å
375	G	92.1	Very high	92.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	76.3	6.3	-177	0	0	0	0	0	115	G373 T379	G373-G375 VanDerWaalsContact C-N 3.32Å; G373-G375 PolarHBondContact O-N 2.98Å; G375-T379 VanDerWaalsContact O-CB 3.32Å; G375-T379 WeakPolarHBondContact O-CB 3.44Å; G375-T379 PolarHBondContact O-N 3.49Å; G375-T379 PolarHBondContact O-OG1 3.27Å
376	G	96.1	Very high	92.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.4	-49.8	176.4	0	0	0	0	0	112.5	A374 T378 T379 L380	A374-G376 VanDerWaalsContact C-N 3.25Å; A374-G376 PolarHBondContact O-N 3.42Å; G376-T378 PolarHBondContact O-N 2.97Å; G376-T379 WeakPolarHBondContact O-CB 3.5Å; G376-T379 PolarHBondContact O-N 3.49Å; G376-T379 VanDerWaalsContact O-N 3.14Å; G376-L380 WeakPolarHBondContact O-CG 3.42Å; G376-L380 PolarHBondContact O-N 3.23Å
377	L	96.8	Very high	92.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.2	-42.8	177.8	-66.8	-178.9	0	0	0	111.8	C83 F86 A124 E127 L128 V372 T379 L380 S381	C83-L377 HydrophobicContact CB-CD2 4.21Å; F86-L377 HydrophobicContact CD1-CD2 3.96Å; F86-L377 HydrophobicContact CD1-CG 4.27Å; F86-L377 HydrophobicContact CE1-CG 4.41Å; A124-L377 HydrophobicContact CB-CD1 3.93Å; E127-L377 HydrophobicContact CB-CB 4.06Å; L128-L377 HydrophobicContact CD2-CB 4Å; L128-L377 HydrophobicContact CD2-CD2 4.28Å; L128-L377 HydrophobicContact CG-CB 4.38Å; V372-L377 HydrophobicContact CG1-CD1 3.83Å; L377-T379 VanDerWaalsContact C-N 3.3Å; L377-T379 PolarHBondContact O-N 3.44Å; L377-L380 PolarHBondContact O-N 3.36Å; L377-S381 WeakPolarHBondContact O-CB 3.15Å; L377-S381 PolarHBondContact O-N 3.13Å; L377-S381 PolarHBondContact O-OG 3.16Å; L377-S381 VanDerWaalsContact O-OG 3.11Å
378	T	95.5	Very high	93.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56	-44.7	172.2	-46.7	0	0	0	0	111.8	G131 L141 G376 S381 S382	G131-T378 WeakPolarHBondContact CA-O 3.37Å; L141-T378 HydrophobicContact CD2-CG2 3.38Å; G376-T378 PolarHBondContact O-N 2.97Å; T378-S381 PolarHBondContact O-OG 3.39Å; T378-S382 WeakPolarHBondContact O-CB 3.42Å; T378-S382 PolarHBondContact O-N 3.03Å
379	T	97.1	Very high	93.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-65.6	-49.6	179.8	-65.4	0	0	0	0	110.9	G375 G376 L377 S381 S382 Y383 E476 V477 T480	G375-T379 VanDerWaalsContact O-CB 3.32Å; G375-T379 WeakPolarHBondContact O-CB 3.44Å; G375-T379 PolarHBondContact O-N 3.49Å; G375-T379 PolarHBondContact O-OG1 3.27Å; G376-T379 WeakPolarHBondContact O-CB 3.5Å; G376-T379 PolarHBondContact O-N 3.49Å; G376-T379 VanDerWaalsContact O-N 3.14Å; L377-T379 VanDerWaalsContact C-N 3.3Å; L377-T379 PolarHBondContact O-N 3.44Å; T379-S381 VanDerWaalsContact C-N 3.34Å; T379-S381 PolarHBondContact O-N 3.43Å; T379-S382 WeakPolarHBondContact O-CB 3.38Å; T379-S382 PolarHBondContact O-N 3.21Å; T379-S382 VanDerWaalsContact O-N 3.16Å; T379-S382 PolarHBondContact O-OG 3.47Å; T379-Y383 HydrophobicContact CG2-CE2 4.2Å; T379-Y383 VanDerWaalsContact O-CD2 3.23Å; T379-Y383 WeakPolarHBondContact O-CD2 3.47Å; T379-E476 HydrophobicContact CG2-CG 4.44Å; T379-V477 HydrophobicContact CG2-CG2 4.36Å; T379-T480 HydrophobicContact CG2-CG2 4.1Å; T379-T480 WeakPolarHBondContact CG2-OG1 3.33Å
380	L	97.9	Very high	93.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-42.8	-179.4	-67.2	175.4	0	0	0	111.6	W73 F79 F86 M310 G376 L377 S382 Y383 V473	W73-L380 HydrophobicContact CH2-CD2 4.02Å; W73-L380 HydrophobicContact CZ2-CB 4.42Å; W73-L380 HydrophobicContact CZ2-CD2 3.68Å; W73-L380 PolarHBondContact NE1-O 3.25Å; F79-L380 HydrophobicContact CD2-CB 4.4Å; F79-L380 HydrophobicContact CE2-CB 4.03Å; F86-L380 HydrophobicContact CB-CD1 4.37Å; M310-L380 HydrophobicContact CE-CD2 4.18Å; G376-L380 WeakPolarHBondContact O-CG 3.42Å; G376-L380 PolarHBondContact O-N 3.23Å; L377-L380 PolarHBondContact O-N 3.36Å; L380-S382 VanDerWaalsContact C-N 3.3Å; L380-S382 PolarHBondContact O-N 3.05Å; L380-Y383 PolarHBondContact O-N 3.2Å; L380-V473 HydrophobicContact CD1-CG1 3.83Å; L380-V473 HydrophobicContact CD1-CG2 4.01Å; L380-V473 HydrophobicContact CD2-CG1 4.18Å; L380-V473 HydrophobicContact CD2-CG2 4.2Å; L380-V473 HydrophobicContact CG-CG1 3.93Å
381	S	97.1	Very high	93.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-73.4	-21.3	179.5	69.5	0	0	0	0	113.1	L128 G131 Q132 L377 T378 T379 Y383 N384	L128-S381 WeakPolarHBondContact O-CB 3.47Å; L128-S381 PolarHBondContact O-OG 3.41Å; G131-S381 WeakPolarHBondContact CA-OG 3.43Å; Q132-S381 WeakPolarHBondContact CA-O 3.48Å; Q132-S381 PolarHBondContact N-OG 3.13Å; L377-S381 WeakPolarHBondContact O-CB 3.15Å; L377-S381 PolarHBondContact O-N 3.13Å; L377-S381 PolarHBondContact O-OG 3.16Å; L377-S381 VanDerWaalsContact O-OG 3.11Å; T378-S381 PolarHBondContact O-OG 3.39Å; T379-S381 VanDerWaalsContact C-N 3.34Å; T379-S381 PolarHBondContact O-N 3.43Å; S381-Y383 PolarHBondContact O-N 3.35Å; S381-Y383 VanDerWaalsContact O-N 3.13Å; S381-N384 VanDerWaalsContact O-CB 3.22Å; S381-N384 WeakPolarHBondContact O-CB 3.32Å; S381-N384 PolarHBondContact O-N 3.18Å
382	S	95.6	Very high	93.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-20.1	172.7	84.5	0	0	0	0	113.8	K70 K72 G131 S135 T378 T379 L380	K70-S382 WeakPolarHBondContact CE-OG 3.48Å; K70-S382 PolarHBondContact NZ-OG 3.33Å; K72-S382 PolarHBondContact NZ-O 2.7Å; G131-S382 VanDerWaalsContact O-CA 3.26Å; G131-S382 WeakPolarHBondContact O-CA 3.32Å; S135-S382 PolarHBondContact OG-O 2.77Å; S135-S382 VanDerWaalsContact OG-O 3.05Å; T378-S382 WeakPolarHBondContact O-CB 3.42Å; T378-S382 PolarHBondContact O-N 3.03Å; T379-S382 WeakPolarHBondContact O-CB 3.38Å; T379-S382 PolarHBondContact O-N 3.21Å; T379-S382 VanDerWaalsContact O-N 3.16Å; T379-S382 PolarHBondContact O-OG 3.47Å; L380-S382 VanDerWaalsContact C-N 3.3Å; L380-S382 PolarHBondContact O-N 3.05Å
383	Y	96.5	Very high	93.8	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.4	173.9	-67.3	-77.6	0	0	0	113.4	K70 E71 K72 W73 V307 T379 L380 S381 E476 T480	K70-Y383 HydrophobicContact CD-CE1 4.36Å; K70-Y383 HydrophobicContact CG-CD1 4.15Å; K70-Y383 HydrophobicContact CG-CE1 3.86Å; E71-Y383 HydrophobicContact CB-CD1 4.44Å; E71-Y383 HydrophobicContact CB-CE1 4.42Å; E71-Y383 VanDerWaalsContact O-CD1 3.27Å; E71-Y383 WeakPolarHBondContact O-CD1 3.4Å; K72-Y383 VanDerWaalsContact CA-O 3.32Å; K72-Y383 WeakPolarHBondContact CA-O 3.27Å; K72-Y383 WeakPolarHBondContact CD-O 3.39Å; W73-Y383 PolarHBondContact N-O 2.87Å; W73-Y383 VanDerWaalsContact NE1-CB 3.33Å; V307-Y383 HydrophobicContact CG1-CD1 4.07Å; V307-Y383 HydrophobicContact CG1-CD2 3.79Å; V307-Y383 HydrophobicContact CG1-CE1 3.99Å; V307-Y383 HydrophobicContact CG1-CE2 3.67Å; V307-Y383 HydrophobicContact CG1-CG 3.98Å; V307-Y383 HydrophobicContact CG2-CD1 3.93Å; V307-Y383 HydrophobicContact CG2-CE1 4.25Å; V307-Y383 HydrophobicContact CG2-CG 4.29Å; T379-Y383 HydrophobicContact CG2-CE2 4.2Å; T379-Y383 VanDerWaalsContact O-CD2 3.23Å; T379-Y383 WeakPolarHBondContact O-CD2 3.47Å; L380-Y383 PolarHBondContact O-N 3.2Å; S381-Y383 PolarHBondContact O-N 3.35Å; S381-Y383 VanDerWaalsContact O-N 3.13Å; Y383-E476 HydrophobicContact CE2-CG 4.39Å; Y383-E476 PolarHBondContact OH-OE1 3.2Å; Y383-T480 HydrophobicContact CE2-CG2 4.08Å; Y383-T480 WeakPolarHBondContact CE2-OG1 3.43Å; Y383-T480 PolarHBondContact OH-OG1 3.37Å
384	N	95	Very high	94.1	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.032	12%	0.115	C	C	.	.	S	Bend	trans	-78	159.4	175.6	-74	-15	0	0	0	112.9	K72 F79 Q132 S381 N388	K72-N384 WeakPolarHBondContact CD-O 3.2Å; K72-N384 WeakPolarHBondContact CE-O 3.48Å; K72-N384 PolarHBondContact NZ-O 3.17Å; F79-N384 WeakPolarHBondContact CD1-OD1 3.18Å; F79-N384 VanDerWaalsContact CD2-OD1 3.25Å; F79-N384 WeakPolarHBondContact CD2-OD1 3.2Å; F79-N384 WeakPolarHBondContact CE1-ND2 3.48Å; F79-N384 WeakPolarHBondContact CE2-ND2 3.28Å; F79-N384 WeakPolarHBondContact CG-OD1 3.47Å; F79-N384 WeakPolarHBondContact CZ-ND2 3.49Å; Q132-N384 HydrophobicContact CG-CB 4.16Å; Q132-N384 PolarHBondContact OE1-ND2 3.29Å; S381-N384 VanDerWaalsContact O-CB 3.22Å; S381-N384 WeakPolarHBondContact O-CB 3.32Å; S381-N384 PolarHBondContact O-N 3.18Å; N384-N388 HydrophobicContact CB-CB 4.09Å; N384-N388 PolarHBondContact ND2-ND2 3.27Å
385	V	93.1	Very high	94.3	Very high	73 Å²	73	25.5 Å²	25.5	44%	0.442	13%	0.128	S	C	.	.			trans	-71.1	147.5	158.2	-61.9	0	0	0	0	109.5	N387 N388	V385-N387 PolarHBondContact O-N 3.28Å; V385-N387 VanDerWaalsContact O-N 3.12Å; V385-N388 HydrophobicContact CG2-CB 3.97Å; V385-N388 WeakPolarHBondContact O-CB 3.34Å; V385-N388 PolarHBondContact O-N 2.93Å
386	L	91.1	Very high	94.5	Very high	43 Å²	43	27.6 Å²	27.6	23%	0.225	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.4	-168.9	-175.8	67.8	0	0	0	114.5	Q132 Y133 F560 M561	Q132-L386 PolarHBondContact NE2-O 3.16Å; Y133-L386 HydrophobicContact CD2-CD1 4.36Å; L386-F560 HydrophobicContact CD2-CD1 4.29Å; L386-F560 HydrophobicContact CD2-CE1 3.53Å; L386-F560 HydrophobicContact CD2-CZ 4.06Å; L386-M561 HydrophobicContact CD1-CG 3.77Å; L386-M561 HydrophobicContact CD1-SD 4.22Å; L386-M561 HydrophobicContact CG-CG 4.2Å
387	N	91.3	Very high	94.3	Very high	115 Å²	115	27.7 Å²	27.7	62%	0.615	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	19.7	-178.7	68.1	-12.7	0	0	0	113.2	V385	V385-N387 PolarHBondContact O-N 3.28Å; V385-N387 VanDerWaalsContact O-N 3.12Å
388	N	93.8	Very high	94.2	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.016	15%	0.145	C	C	.	.			trans	-64.8	141.6	174.9	-179.5	64.5	0	0	0	110.6	K76 Q132 N384 V385 I390 D393 L562	K76-N388 WeakPolarHBondContact CD-OD1 3.26Å; K76-N388 WeakPolarHBondContact CG-OD1 3.47Å; Q132-N388 PolarHBondContact NE2-O 3.07Å; N384-N388 HydrophobicContact CB-CB 4.09Å; N384-N388 PolarHBondContact ND2-ND2 3.27Å; V385-N388 HydrophobicContact CG2-CB 3.97Å; V385-N388 WeakPolarHBondContact O-CB 3.34Å; V385-N388 PolarHBondContact O-N 2.93Å; N388-I390 VanDerWaalsContact C-N 3.29Å; N388-I390 PolarHBondContact O-N 3.42Å; N388-D393 PolarHBondContact ND2-OD2 2.84Å; N388-L562 WeakPolarHBondContact O-CD2 3.39Å
389	N	93.3	Very high	94.3	Very high	75 Å²	75	33.4 Å²	33.4	40%	0.401	17%	0.172	S	C	.	.			trans	-82.1	74.4	-172.4	-172.9	-8.2	0	0	0	111.2	L391 R392 D393	N389-L391 PolarHBondContact O-N 3.12Å; N389-L391 VanDerWaalsContact O-N 3.08Å; N389-L391 VanDerWaalsContact OD1-CB 3.29Å; N389-L391 WeakPolarHBondContact OD1-CB 3.5Å; N389-L391 PolarHBondContact OD1-N 3.26Å; N389-R392 HydrophobicContact CB-CB 4.39Å; N389-R392 PolarHBondContact O-N 3.2Å; N389-R392 VanDerWaalsContact O-N 3.16Å; N389-R392 PolarHBondContact OD1-N 3.04Å; N389-R392 VanDerWaalsContact OD1-N 3.12Å; N389-D393 VanDerWaalsContact O-CG 3.31Å; N389-D393 PolarHBondContact O-N 3.06Å
390	I	93.7	Very high	94.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-17.3	178.5	52.5	163.3	0	0	0	113.5	F125 L128 G129 N388 D393 T394 Y558 L562	F125-I390 HydrophobicContact CD2-CD1 4.24Å; F125-I390 HydrophobicContact CD2-CG1 4.43Å; F125-I390 HydrophobicContact CE2-CD1 3.79Å; F125-I390 HydrophobicContact CE2-CG1 3.78Å; F125-I390 HydrophobicContact CZ-CD1 4.32Å; L128-I390 HydrophobicContact CB-CB 4.26Å; L128-I390 HydrophobicContact CB-CD1 4.37Å; L128-I390 HydrophobicContact CB-CG2 4.27Å; G129-I390 VanDerWaalsContact CA-CD1 3.46Å; N388-I390 VanDerWaalsContact C-N 3.29Å; N388-I390 PolarHBondContact O-N 3.42Å; I390-D393 PolarHBondContact O-N 3.33Å; I390-T394 WeakPolarHBondContact O-CB 3.37Å; I390-T394 PolarHBondContact O-N 2.99Å; I390-T394 PolarHBondContact O-OG1 3.44Å; I390-Y558 HydrophobicContact CD1-CE1 4.21Å; I390-L562 HydrophobicContact CD1-CD1 4.02Å; I390-L562 HydrophobicContact CG1-CD1 3.71Å; I390-L562 HydrophobicContact CG1-CD2 4.38Å
391	L	90.6	Very high	94	Very high	17 Å²	17	33.9 Å²	33.9	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-47.3	176.6	-168	69.4	0	0	0	111.1	F125 N389 D393 I395 P566 W570 Y575	F125-L391 HydrophobicContact CD2-CD1 4.13Å; F125-L391 HydrophobicContact CE1-CD1 4.4Å; F125-L391 HydrophobicContact CE2-CB 3.98Å; F125-L391 HydrophobicContact CE2-CD1 3.52Å; F125-L391 HydrophobicContact CE2-CG 4.41Å; F125-L391 HydrophobicContact CZ-CD1 3.68Å; N389-L391 PolarHBondContact O-N 3.12Å; N389-L391 VanDerWaalsContact O-N 3.08Å; N389-L391 VanDerWaalsContact OD1-CB 3.29Å; N389-L391 WeakPolarHBondContact OD1-CB 3.5Å; N389-L391 PolarHBondContact OD1-N 3.26Å; L391-D393 VanDerWaalsContact C-N 3.31Å; L391-I395 PolarHBondContact O-N 3.33Å; L391-P566 HydrophobicContact CD2-CG 4.02Å; L391-W570 HydrophobicContact CD1-CD2 3.93Å; L391-W570 HydrophobicContact CD1-CE3 3.21Å; L391-W570 HydrophobicContact CD1-CH2 3.89Å; L391-W570 HydrophobicContact CD1-CZ3 3.19Å; L391-W570 HydrophobicContact CD2-CD2 3.58Å; L391-W570 HydrophobicContact CD2-CE3 3.72Å; L391-W570 HydrophobicContact CD2-CG 4.16Å; L391-W570 HydrophobicContact CD2-CH2 3.6Å; L391-W570 HydrophobicContact CD2-CZ2 3.57Å; L391-W570 HydrophobicContact CD2-CZ3 3.74Å; L391-W570 HydrophobicContact CG-CD2 3.99Å; L391-W570 HydrophobicContact CG-CE3 3.56Å; L391-W570 HydrophobicContact CG-CH2 3.31Å; L391-W570 HydrophobicContact CG-CZ2 3.86Å; L391-W570 HydrophobicContact CG-CZ3 3.2Å; L391-Y575 HydrophobicContact CD1-CD2 4.26Å
392	R	92.2	Very high	93.9	Very high	128 Å²	128	35.2 Å²	35.2	48%	0.483	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-45	170.8	176.2	-179.7	177.5	-102.7	3.3	110.3	N389 T394 I395 V396	N389-R392 HydrophobicContact CB-CB 4.39Å; N389-R392 PolarHBondContact O-N 3.2Å; N389-R392 VanDerWaalsContact O-N 3.16Å; N389-R392 PolarHBondContact OD1-N 3.04Å; N389-R392 VanDerWaalsContact OD1-N 3.12Å; R392-T394 VanDerWaalsContact C-N 3.35Å; R392-T394 PolarHBondContact O-N 3.46Å; R392-I395 PolarHBondContact O-N 2.94Å; R392-V396 HydrophobicContact CG-CG2 4.5Å; R392-V396 WeakPolarHBondContact O-CG2 3.17Å; R392-V396 PolarHBondContact O-N 2.85Å
393	D	94.7	Very high	93.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-42.7	-176.6	-56.5	-30.2	0	0	0	110.7	F79 N388 N389 I390 L391 I395 V396 I397	F79-D393 HydrophobicContact CE1-CB 4.04Å; F79-D393 VanDerWaalsContact CE1-OD2 3.24Å; F79-D393 WeakPolarHBondContact CE1-OD2 2.97Å; N388-D393 PolarHBondContact ND2-OD2 2.84Å; N389-D393 VanDerWaalsContact O-CG 3.31Å; N389-D393 PolarHBondContact O-N 3.06Å; I390-D393 PolarHBondContact O-N 3.33Å; L391-D393 VanDerWaalsContact C-N 3.31Å; D393-I395 PolarHBondContact O-N 2.74Å; D393-V396 PolarHBondContact O-N 2.99Å; D393-I397 WeakPolarHBondContact O-CB 3.27Å; D393-I397 VanDerWaalsContact O-CD1 3.27Å; D393-I397 WeakPolarHBondContact O-CD1 3.49Å; D393-I397 WeakPolarHBondContact O-CG1 3.16Å; D393-I397 PolarHBondContact O-N 3.42Å
394	T	94.4	Very high	93.8	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-43.2	175.7	-55	0	0	0	0	112.2	V121 A124 F125 L128 I390 R392 I397 T398	V121-T394 HydrophobicContact CG1-CG2 4.1Å; A124-T394 HydrophobicContact CB-CG2 4.29Å; F125-T394 HydrophobicContact CB-CG2 4.28Å; L128-T394 WeakPolarHBondContact CD1-OG1 3.37Å; I390-T394 WeakPolarHBondContact O-CB 3.37Å; I390-T394 PolarHBondContact O-N 2.99Å; I390-T394 PolarHBondContact O-OG1 3.44Å; R392-T394 VanDerWaalsContact C-N 3.35Å; R392-T394 PolarHBondContact O-N 3.46Å; T394-I397 PolarHBondContact O-N 2.64Å; T394-T398 VanDerWaalsContact O-CB 3.31Å; T394-T398 WeakPolarHBondContact O-CB 3.28Å; T394-T398 PolarHBondContact O-N 3.46Å; T394-T398 PolarHBondContact O-OG1 3.48Å
395	I	93.6	Very high	93.8	Very high	66 Å²	66	40.4 Å²	40.4	34%	0.338	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-46.6	176	-72.9	-164.1	0	0	0	110.9	L391 R392 D393 I397 T398 L399 W570	L391-I395 PolarHBondContact O-N 3.33Å; R392-I395 PolarHBondContact O-N 2.94Å; D393-I395 PolarHBondContact O-N 2.74Å; I395-I397 PolarHBondContact O-N 2.9Å; I395-T398 PolarHBondContact O-N 3.34Å; I395-L399 HydrophobicContact CG2-CD1 3.69Å; I395-L399 HydrophobicContact CG2-CG 4.14Å; I395-L399 WeakPolarHBondContact O-CB 3.12Å; I395-L399 WeakPolarHBondContact O-CG 3.49Å; I395-L399 PolarHBondContact O-N 3.05Å; I395-W570 HydrophobicContact CD1-CH2 3.14Å; I395-W570 HydrophobicContact CD1-CZ2 4.06Å; I395-W570 HydrophobicContact CD1-CZ3 3.62Å; I395-W570 HydrophobicContact CG1-CH2 3.81Å; I395-W570 HydrophobicContact CG1-CZ3 3.95Å
396	V	94.4	Very high	93.9	Very high	45 Å²	45	39.6 Å²	39.6	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-63	-44.4	-178.7	174.3	0	0	0	0	110.8	M80 R392 D393 T398 G400	M80-V396 HydrophobicContact CE-CG1 4.14Å; M80-V396 HydrophobicContact CG-CB 4.25Å; M80-V396 HydrophobicContact CG-CG1 4.02Å; M80-V396 HydrophobicContact SD-CB 4Å; M80-V396 HydrophobicContact SD-CG1 3.74Å; M80-V396 HydrophobicContact SD-CG2 3.96Å; R392-V396 HydrophobicContact CG-CG2 4.5Å; R392-V396 WeakPolarHBondContact O-CG2 3.17Å; R392-V396 PolarHBondContact O-N 2.85Å; D393-V396 PolarHBondContact O-N 2.99Å; V396-T398 VanDerWaalsContact C-N 3.31Å; V396-T398 PolarHBondContact O-N 3.38Å; V396-G400 PolarHBondContact O-N 3.07Å
397	I	93.5	Very high	94.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-46.4	175.4	-65.5	156.9	0	0	0	110.2	C83 A87 L128 D393 T394 I395 G400 N401	C83-I397 HydrophobicContact CB-CD1 3.33Å; C83-I397 HydrophobicContact CB-CG1 3.73Å; A87-I397 HydrophobicContact CB-CG2 3.79Å; L128-I397 HydrophobicContact CD1-CD1 4.08Å; D393-I397 WeakPolarHBondContact O-CB 3.27Å; D393-I397 VanDerWaalsContact O-CD1 3.27Å; D393-I397 WeakPolarHBondContact O-CD1 3.49Å; D393-I397 WeakPolarHBondContact O-CG1 3.16Å; D393-I397 PolarHBondContact O-N 3.42Å; T394-I397 PolarHBondContact O-N 2.64Å; I395-I397 PolarHBondContact O-N 2.9Å; I397-G400 PolarHBondContact O-N 3.08Å; I397-N401 VanDerWaalsContact O-CB 3.31Å; I397-N401 WeakPolarHBondContact O-CB 3.31Å; I397-N401 PolarHBondContact O-N 3.24Å
398	T	95	Very high	94.2	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-50.2	-177.9	-57.3	0	0	0	0	112	I116 V121 T394 I395 V396 G400 N401 I402	I116-T398 HydrophobicContact CG2-CG2 3.41Å; I116-T398 VanDerWaalsContact CG2-CG2 3.41Å; V121-T398 HydrophobicContact CG2-CG2 3.58Å; V121-T398 WeakPolarHBondContact CG2-OG1 3.31Å; T394-T398 VanDerWaalsContact O-CB 3.31Å; T394-T398 WeakPolarHBondContact O-CB 3.28Å; T394-T398 PolarHBondContact O-N 3.46Å; T394-T398 PolarHBondContact O-OG1 3.48Å; I395-T398 PolarHBondContact O-N 3.34Å; V396-T398 VanDerWaalsContact C-N 3.31Å; V396-T398 PolarHBondContact O-N 3.38Å; T398-G400 VanDerWaalsContact C-N 3.33Å; T398-G400 PolarHBondContact O-N 3.16Å; T398-N401 PolarHBondContact O-N 2.81Å; T398-I402 HydrophobicContact CG2-CD1 4.05Å; T398-I402 WeakPolarHBondContact O-CG1 3.44Å; T398-I402 PolarHBondContact O-N 3.1Å
399	L	95.8	Very high	94.2	Very high	109 Å²	109	32.7 Å²	32.7	57%	0.571	16%	0.163	S	C	*	.	H	α-helix	trans	-64.7	-39.8	179.1	-69.3	177.9	0	0	0	111.4	I395 I402 F403	I395-L399 HydrophobicContact CG2-CD1 3.69Å; I395-L399 HydrophobicContact CG2-CG 4.14Å; I395-L399 WeakPolarHBondContact O-CB 3.12Å; I395-L399 WeakPolarHBondContact O-CG 3.49Å; I395-L399 PolarHBondContact O-N 3.05Å; L399-I402 PolarHBondContact O-N 2.96Å; L399-F403 WeakPolarHBondContact O-CB 3.34Å; L399-F403 PolarHBondContact O-N 3.23Å
400	G	94.9	Very high	94.3	Very high	11 Å²	11	32.2 Å²	32.2	11%	0.113	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-42.2	175.4	0	0	0	0	0	112.4	V396 I397 T398 F403 T404	V396-G400 PolarHBondContact O-N 3.07Å; I397-G400 PolarHBondContact O-N 3.08Å; T398-G400 VanDerWaalsContact C-N 3.33Å; T398-G400 PolarHBondContact O-N 3.16Å; G400-F403 PolarHBondContact O-N 3.45Å; G400-T404 PolarHBondContact O-N 3.3Å; G400-T404 PolarHBondContact O-OG1 2.95Å
401	N	93.9	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-47	175	-176.1	52.4	0	0	0	112.2	A87 N92 S369 I397 T398 T404 S405	A87-N401 PolarHBondContact O-OD1 3.13Å; N92-N401 PolarHBondContact ND2-OD1 3.46Å; N92-N401 PolarHBondContact OD1-OD1 3.48Å; S369-N401 PolarHBondContact OG-ND2 3.05Å; S369-N401 VanDerWaalsContact OG-ND2 3.07Å; I397-N401 VanDerWaalsContact O-CB 3.31Å; I397-N401 WeakPolarHBondContact O-CB 3.31Å; I397-N401 PolarHBondContact O-N 3.24Å; T398-N401 PolarHBondContact O-N 2.81Å; N401-T404 PolarHBondContact O-N 3.44Å; N401-S405 WeakPolarHBondContact O-CB 3.47Å; N401-S405 PolarHBondContact O-N 2.8Å; N401-S405 PolarHBondContact O-OG 3.49Å
402	I	95.6	Very high	94.2	Very high	29 Å²	29	31.9 Å²	31.9	15%	0.149	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-48.9	175.5	-67.8	164.6	0	0	0	110.1	F112 L113 I116 T398 L399 T404 S405 L406	F112-I402 HydrophobicContact CE1-CG1 4.43Å; L113-I402 HydrophobicContact CD2-CD1 3.72Å; L113-I402 HydrophobicContact CD2-CG1 3.93Å; L113-I402 HydrophobicContact CD2-CG2 3.78Å; I116-I402 HydrophobicContact CD1-CD1 4.18Å; I116-I402 HydrophobicContact CD1-CG1 3.62Å; I116-I402 HydrophobicContact CG2-CD1 4.35Å; T398-I402 HydrophobicContact CG2-CD1 4.05Å; T398-I402 WeakPolarHBondContact O-CG1 3.44Å; T398-I402 PolarHBondContact O-N 3.1Å; L399-I402 PolarHBondContact O-N 2.96Å; I402-T404 PolarHBondContact O-N 3.02Å; I402-S405 PolarHBondContact O-N 3.47Å; I402-L406 HydrophobicContact CG2-CD1 3.94Å; I402-L406 HydrophobicContact CG2-CG 4.41Å; I402-L406 WeakPolarHBondContact O-CG 3.35Å; I402-L406 PolarHBondContact O-N 2.89Å
403	F	95.5	Very high	94.2	Very high	116 Å²	116	25.9 Å²	25.9	51%	0.509	13%	0.133	S	C	.	.	H	α-helix	trans	-60.3	-47.7	-178.9	176.2	-106.7	0	0	0	111.7	Y322 L399 G400 S405 L406 L407	Y322-F403 HydrophobicContact CD1-CD1 4.18Å; Y322-F403 AromaticContact CD1-CE1 3.76Å; Y322-F403 HydrophobicContact CD1-CE1 3.76Å; Y322-F403 AromaticContact CE1-CD1 3.74Å; Y322-F403 HydrophobicContact CE1-CD1 3.74Å; Y322-F403 AromaticContact CE1-CE1 3.83Å; Y322-F403 HydrophobicContact CE1-CE1 3.83Å; L399-F403 WeakPolarHBondContact O-CB 3.34Å; L399-F403 PolarHBondContact O-N 3.23Å; G400-F403 PolarHBondContact O-N 3.45Å; F403-S405 PolarHBondContact O-N 3.44Å; F403-L406 PolarHBondContact O-N 2.95Å; F403-L407 HydrophobicContact CE1-CD2 4.12Å; F403-L407 HydrophobicContact CZ-CD2 4.28Å; F403-L407 VanDerWaalsContact O-CB 3.28Å; F403-L407 WeakPolarHBondContact O-CB 3.39Å; F403-L407 PolarHBondContact O-N 3.38Å
404	T	94.9	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-42.3	178.2	-51	0	0	0	0	111.5	V88 N92 Y322 L325 G400 N401 I402 L406 L407 S408 M466	V88-T404 HydrophobicContact CG1-CG2 3.38Å; V88-T404 WeakPolarHBondContact CG1-OG1 3.37Å; V88-T404 WeakPolarHBondContact CG2-OG1 3.36Å; N92-T404 HydrophobicContact CB-CG2 4.27Å; Y322-T404 WeakPolarHBondContact CE1-OG1 3.42Å; Y322-T404 PolarHBondContact OH-OG1 3.16Å; L325-T404 HydrophobicContact CD1-CG2 4.22Å; G400-T404 PolarHBondContact O-N 3.3Å; G400-T404 PolarHBondContact O-OG1 2.95Å; N401-T404 PolarHBondContact O-N 3.44Å; I402-T404 PolarHBondContact O-N 3.02Å; T404-L406 VanDerWaalsContact C-N 3.34Å; T404-L406 PolarHBondContact O-N 3.08Å; T404-L407 PolarHBondContact O-N 3.38Å; T404-S408 VanDerWaalsContact O-CB 3.29Å; T404-S408 WeakPolarHBondContact O-CB 3.21Å; T404-S408 PolarHBondContact O-N 3.19Å; T404-S408 PolarHBondContact O-OG 3.48Å; T404-S408 VanDerWaalsContact O-OG 3.12Å; T404-M466 HydrophobicContact CG2-CE 4.19Å
405	S	94.6	Very high	94	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.7	-47	177.3	-60	0	0	0	0	111.6	N92 F96 N401 I402 F403 G409	N92-S405 PolarHBondContact OD1-OG 3.5Å; F96-S405 WeakPolarHBondContact CD1-O 3.39Å; F96-S405 VanDerWaalsContact CE1-C 3.44Å; F96-S405 WeakPolarHBondContact CE1-O 3.17Å; N401-S405 WeakPolarHBondContact O-CB 3.47Å; N401-S405 PolarHBondContact O-N 2.8Å; N401-S405 PolarHBondContact O-OG 3.49Å; I402-S405 PolarHBondContact O-N 3.47Å; F403-S405 PolarHBondContact O-N 3.44Å; S405-G409 PolarHBondContact O-N 2.94Å
406	L	95.1	Very high	93.8	Very high	56 Å²	56	22.8 Å²	22.8	29%	0.293	12%	0.117	S	C	.	.	H	α-helix	trans	-65.9	-46.4	177.3	-68	176	0	0	0	112	F96 L109 F345 I402 F403 T404 S408 G409 F410	F96-L406 HydrophobicContact CZ-CD2 4.45Å; L109-L406 HydrophobicContact CD1-CD2 3.87Å; L109-L406 HydrophobicContact CD2-CD2 3.9Å; F345-L406 HydrophobicContact CZ-CD2 4.09Å; I402-L406 HydrophobicContact CG2-CD1 3.94Å; I402-L406 HydrophobicContact CG2-CG 4.41Å; I402-L406 WeakPolarHBondContact O-CG 3.35Å; I402-L406 PolarHBondContact O-N 2.89Å; F403-L406 PolarHBondContact O-N 2.95Å; T404-L406 VanDerWaalsContact C-N 3.34Å; T404-L406 PolarHBondContact O-N 3.08Å; L406-S408 PolarHBondContact O-N 3.4Å; L406-G409 WeakPolarHBondContact O-CA 3.34Å; L406-G409 PolarHBondContact O-N 2.87Å; L406-G409 VanDerWaalsContact O-N 3.14Å; L406-F410 WeakPolarHBondContact O-CD2 3.37Å; L406-F410 PolarHBondContact O-N 3.34Å
407	L	95.5	Very high	93.7	Very high	16 Å²	16	20.7 Å²	20.7	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-58.3	-47.9	178.1	176.9	59.7	0	0	0	111.1	Y322 L325 L329 F403 T404 G409 F410 V411	Y322-L407 HydrophobicContact CD1-CD2 4.13Å; L325-L407 HydrophobicContact CB-CD2 3.74Å; L325-L407 HydrophobicContact CB-CG 4.02Å; L325-L407 HydrophobicContact CD1-CD2 4.05Å; L325-L407 HydrophobicContact CD1-CG 4.39Å; L329-L407 HydrophobicContact CD2-CD1 3.73Å; F403-L407 HydrophobicContact CE1-CD2 4.12Å; F403-L407 HydrophobicContact CZ-CD2 4.28Å; F403-L407 VanDerWaalsContact O-CB 3.28Å; F403-L407 WeakPolarHBondContact O-CB 3.39Å; F403-L407 PolarHBondContact O-N 3.38Å; T404-L407 PolarHBondContact O-N 3.38Å; L407-G409 VanDerWaalsContact C-N 3.34Å; L407-G409 PolarHBondContact O-N 3.49Å; L407-F410 PolarHBondContact O-N 2.93Å; L407-V411 WeakPolarHBondContact O-CG2 3.36Å; L407-V411 PolarHBondContact O-N 3.25Å
408	S	93.3	Very high	93.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-59.6	-44.5	173.9	-69	0	0	0	0	111.3	N92 T404 L406 F410 V411 V412	N92-S408 WeakPolarHBondContact O-CB 3.4Å; T404-S408 VanDerWaalsContact O-CB 3.29Å; T404-S408 WeakPolarHBondContact O-CB 3.21Å; T404-S408 PolarHBondContact O-N 3.19Å; T404-S408 PolarHBondContact O-OG 3.48Å; T404-S408 VanDerWaalsContact O-OG 3.12Å; L406-S408 PolarHBondContact O-N 3.4Å; S408-F410 VanDerWaalsContact C-N 3.34Å; S408-F410 PolarHBondContact O-N 3.02Å; S408-V411 PolarHBondContact O-N 2.77Å; S408-V412 VanDerWaalsContact O-CB 3.3Å; S408-V412 WeakPolarHBondContact O-CB 3.42Å; S408-V412 WeakPolarHBondContact O-CG2 3.47Å; S408-V412 PolarHBondContact O-N 3.07Å
409	G	93.1	Very high	93.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-52.6	-48.4	173	0	0	0	0	0	113.1	S405 L406 L407 V412 F413	S405-G409 PolarHBondContact O-N 2.94Å; L406-G409 WeakPolarHBondContact O-CA 3.34Å; L406-G409 PolarHBondContact O-N 2.87Å; L406-G409 VanDerWaalsContact O-N 3.14Å; L407-G409 VanDerWaalsContact C-N 3.34Å; L407-G409 PolarHBondContact O-N 3.49Å; G409-V412 PolarHBondContact O-N 3.04Å; G409-F413 WeakPolarHBondContact O-CB 3.37Å; G409-F413 VanDerWaalsContact O-CD2 3.31Å; G409-F413 WeakPolarHBondContact O-CD2 3.2Å; G409-F413 PolarHBondContact O-N 3Å
410	F	95.2	Very high	92.8	Very high	65 Å²	65	16.7 Å²	16.7	29%	0.285	8%	0.082	S	C	.	.	H	α-helix	trans	-65.7	-42.5	177.5	-75.5	-69.7	0	0	0	113.6	L329 I342 F345 I346 L406 L407 S408 V412 S414	L329-F410 HydrophobicContact CD1-CB 3.66Å; L329-F410 HydrophobicContact CD2-CB 4.44Å; I342-F410 HydrophobicContact CG2-CD1 4.26Å; I342-F410 HydrophobicContact CG2-CE1 4.08Å; F345-F410 HydrophobicContact CD1-CD1 4.01Å; F345-F410 AromaticContact CD1-CE1 3.96Å; F345-F410 HydrophobicContact CD1-CE1 3.96Å; F345-F410 HydrophobicContact CD1-CG 4.32Å; F345-F410 HydrophobicContact CD1-CZ 4.21Å; F345-F410 HydrophobicContact CE1-CD1 4.22Å; F345-F410 AromaticContact CE1-CD2 3.97Å; F345-F410 HydrophobicContact CE1-CD2 3.97Å; F345-F410 HydrophobicContact CE1-CE1 4.16Å; F345-F410 AromaticContact CE1-CE2 3.9Å; F345-F410 HydrophobicContact CE1-CE2 3.9Å; F345-F410 HydrophobicContact CE1-CG 4.11Å; F345-F410 AromaticContact CE1-CZ 3.99Å; F345-F410 HydrophobicContact CE1-CZ 3.99Å; I346-F410 HydrophobicContact CG2-CE1 3.76Å; I346-F410 HydrophobicContact CG2-CZ 3.98Å; L406-F410 WeakPolarHBondContact O-CD2 3.37Å; L406-F410 PolarHBondContact O-N 3.34Å; L407-F410 PolarHBondContact O-N 2.93Å; S408-F410 VanDerWaalsContact C-N 3.34Å; S408-F410 PolarHBondContact O-N 3.02Å; F410-V412 VanDerWaalsContact C-N 3.29Å; F410-V412 PolarHBondContact O-N 2.9Å; F410-S414 WeakPolarHBondContact O-CB 3.44Å; F410-S414 PolarHBondContact O-N 3.43Å; F410-S414 PolarHBondContact O-OG 3.44Å
411	V	92.4	Very high	92.5	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.03	9%	0.094	C	C	.	.	H	α-helix	trans	-56.8	-49.2	175.1	171.9	0	0	0	0	109.9	L325 L328 L329 L407 S408 S414 I415	L325-V411 HydrophobicContact CB-CG2 4.37Å; L325-V411 HydrophobicContact CD2-CG2 4.22Å; L325-V411 WeakPolarHBondContact O-CG2 3.45Å; L328-V411 HydrophobicContact CB-CG1 3.73Å; L328-V411 HydrophobicContact CB-CG2 4.4Å; L328-V411 HydrophobicContact CD1-CG1 4.45Å; L329-V411 HydrophobicContact CB-CG2 3.72Å; L407-V411 WeakPolarHBondContact O-CG2 3.36Å; L407-V411 PolarHBondContact O-N 3.25Å; S408-V411 PolarHBondContact O-N 2.77Å; V411-S414 PolarHBondContact O-OG 3.47Å; V411-I415 HydrophobicContact CG1-CD1 4.14Å; V411-I415 WeakPolarHBondContact O-CG1 3.49Å; V411-I415 PolarHBondContact O-N 2.86Å
412	V	89.9	Confident	92	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.03	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-55.7	-176	162.7	0	0	0	0	111.1	P97 S408 G409 F410 S414 I415 L416 Y442	P97-V412 HydrophobicContact CB-CB 4.03Å; P97-V412 HydrophobicContact CB-CG1 3.7Å; P97-V412 HydrophobicContact CB-CG2 4.29Å; P97-V412 HydrophobicContact CG-CB 4.28Å; P97-V412 HydrophobicContact CG-CG1 4.42Å; P97-V412 HydrophobicContact CG-CG2 4.07Å; S408-V412 VanDerWaalsContact O-CB 3.3Å; S408-V412 WeakPolarHBondContact O-CB 3.42Å; S408-V412 WeakPolarHBondContact O-CG2 3.47Å; S408-V412 PolarHBondContact O-N 3.07Å; G409-V412 PolarHBondContact O-N 3.04Å; F410-V412 VanDerWaalsContact C-N 3.29Å; F410-V412 PolarHBondContact O-N 2.9Å; V412-S414 PolarHBondContact O-N 3.5Å; V412-I415 PolarHBondContact O-N 3.26Å; V412-L416 HydrophobicContact CG1-CD1 3.79Å; V412-L416 HydrophobicContact CG1-CG 4.36Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.31Å; V412-L416 PolarHBondContact O-N 2.98Å; V412-Y442 HydrophobicContact CB-CE1 4.04Å; V412-Y442 HydrophobicContact CG1-CE1 3.72Å; V412-Y442 WeakPolarHBondContact CG1-OH 3.47Å; V412-Y442 HydrophobicContact CG2-CE1 3.68Å; V412-Y442 HydrophobicContact CG2-CE2 4.3Å; V412-Y442 WeakPolarHBondContact CG2-OH 3.33Å
413	F	92.2	Very high	91.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-73.5	-27	-173.6	-80.5	-67.1	0	0	0	113.4	P97 G341 F344 F345 G409 L416 G417 V427	P97-F413 HydrophobicContact CB-CD2 4.45Å; P97-F413 HydrophobicContact CB-CE2 3.94Å; P97-F413 VanDerWaalsContact O-CE2 3.28Å; P97-F413 WeakPolarHBondContact O-CE2 3.12Å; P97-F413 VanDerWaalsContact O-CZ 3.3Å; P97-F413 WeakPolarHBondContact O-CZ 3.44Å; G341-F413 CarbonylContact C-O 3.3Å; G341-F413 VanDerWaalsContact CA-O 3.24Å; G341-F413 WeakPolarHBondContact CA-O 3.38Å; G341-F413 WeakPolarHBondContact O-CB 3.49Å; F344-F413 AromaticContact CD1-CD1 3.86Å; F344-F413 HydrophobicContact CD1-CD1 3.86Å; F344-F413 AromaticContact CD1-CE1 3.32Å; F344-F413 HydrophobicContact CD1-CE1 3.32Å; F344-F413 AromaticContact CD1-CZ 3.95Å; F344-F413 HydrophobicContact CD1-CZ 3.95Å; F344-F413 AromaticContact CE1-CE1 3.64Å; F344-F413 HydrophobicContact CE1-CE1 3.64Å; F344-F413 HydrophobicContact CE1-CZ 4.05Å; F345-F413 HydrophobicContact CB-CB 3.95Å; F345-F413 HydrophobicContact CB-CD2 3.53Å; F345-F413 HydrophobicContact CB-CE2 4.17Å; F345-F413 HydrophobicContact CB-CG 3.77Å; F345-F413 AromaticContact CD2-CD2 3.52Å; F345-F413 HydrophobicContact CD2-CD2 3.52Å; F345-F413 AromaticContact CD2-CE2 3.63Å; F345-F413 HydrophobicContact CD2-CE2 3.63Å; F345-F413 HydrophobicContact CE2-CD2 4.4Å; F345-F413 HydrophobicContact CE2-CE2 4.43Å; F345-F413 AromaticContact CG-CD2 3.66Å; F345-F413 HydrophobicContact CG-CD2 3.66Å; F345-F413 HydrophobicContact CG-CE2 4.2Å; F345-F413 HydrophobicContact CG-CG 4.35Å; G409-F413 WeakPolarHBondContact O-CB 3.37Å; G409-F413 VanDerWaalsContact O-CD2 3.31Å; G409-F413 WeakPolarHBondContact O-CD2 3.2Å; G409-F413 PolarHBondContact O-N 3Å; F413-L416 HydrophobicContact CD1-CD1 4.29Å; F413-L416 HydrophobicContact CE1-CD1 4.33Å; F413-G417 PolarHBondContact O-N 2.89Å; F413-V427 HydrophobicContact CD1-CG1 3.74Å; F413-V427 HydrophobicContact CE1-CG1 3.79Å
414	S	93.7	Very high	90.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-41.6	171.5	62.3	0	0	0	0	112.2	G332 A338 F410 V411 V412 Y418	G332-S414 WeakPolarHBondContact CA-OG 3.47Å; A338-S414 WeakPolarHBondContact CA-O 3.22Å; A338-S414 WeakPolarHBondContact CB-O 3.3Å; F410-S414 WeakPolarHBondContact O-CB 3.44Å; F410-S414 PolarHBondContact O-N 3.43Å; F410-S414 PolarHBondContact O-OG 3.44Å; V411-S414 PolarHBondContact O-OG 3.47Å; V412-S414 PolarHBondContact O-N 3.5Å; S414-Y418 PolarHBondContact O-N 3.42Å
415	I	91	Very high	90.5	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-70.6	-43.1	176.8	-68.3	172.3	0	0	0	111.2	V411 V412 Y418 M419 A445	V411-I415 HydrophobicContact CG1-CD1 4.14Å; V411-I415 WeakPolarHBondContact O-CG1 3.49Å; V411-I415 PolarHBondContact O-N 2.86Å; V412-I415 PolarHBondContact O-N 3.26Å; I415-Y418 PolarHBondContact O-N 3.49Å; I415-M419 PolarHBondContact O-N 3.34Å; I415-M419 VanDerWaalsContact O-N 3.11Å; I415-A445 HydrophobicContact CG2-CB 3.23Å
416	L	89.9	Confident	90.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.7	-36.1	177.3	-67.7	-179.2	0	0	0	112.5	V412 F413 Y418 M419 A420 V427 I430 A431 T441	V412-L416 HydrophobicContact CG1-CD1 3.79Å; V412-L416 HydrophobicContact CG1-CG 4.36Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.31Å; V412-L416 PolarHBondContact O-N 2.98Å; F413-L416 HydrophobicContact CD1-CD1 4.29Å; F413-L416 HydrophobicContact CE1-CD1 4.33Å; L416-Y418 PolarHBondContact O-N 3.22Å; L416-M419 PolarHBondContact O-N 3.01Å; L416-A420 WeakPolarHBondContact O-CB 3.25Å; L416-A420 PolarHBondContact O-N 3.03Å; L416-V427 HydrophobicContact CB-CG1 4.19Å; L416-I430 HydrophobicContact CB-CD1 3.88Å; L416-I430 HydrophobicContact CD2-CD1 3.86Å; L416-I430 HydrophobicContact CD2-CG1 4.25Å; L416-I430 HydrophobicContact CG-CD1 4.4Å; L416-I430 VanDerWaalsContact O-CD1 3.26Å; L416-I430 WeakPolarHBondContact O-CD1 3.33Å; L416-A431 HydrophobicContact CD1-CB 4.25Å; L416-T441 HydrophobicContact CD2-CG2 3.42Å; L416-T441 VanDerWaalsContact CD2-CG2 3.42Å
417	G	92.5	Very high	89.8	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-46.2	175.5	0	0	0	0	0	112.6	N337 F413 A420 S421	N337-G417 CarbonylContact O-C 3.56Å; F413-G417 PolarHBondContact O-N 2.89Å; G417-A420 PolarHBondContact O-N 3.22Å; G417-S421 PolarHBondContact O-N 3.24Å
418	Y	90.3	Very high	89.3	Confident	31 Å²	31	30.8 Å²	30.8	12%	0.122	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-47.7	173.4	168.3	-118.2	0	0	0	112	L335 P336 S414 I415 L416 A420 S421 E422 R448 L449	L335-Y418 HydrophobicContact CB-CD1 4.4Å; L335-Y418 HydrophobicContact CB-CD2 4.16Å; L335-Y418 HydrophobicContact CB-CG 3.83Å; L335-Y418 HydrophobicContact CD1-CD1 3.76Å; L335-Y418 HydrophobicContact CD1-CG 3.96Å; L335-Y418 HydrophobicContact CD2-CD1 4.08Å; L335-Y418 HydrophobicContact CD2-CE1 4.19Å; L335-Y418 HydrophobicContact CD2-CG 4.25Å; L335-Y418 HydrophobicContact CG-CD1 4.29Å; L335-Y418 HydrophobicContact CG-CG 4.23Å; P336-Y418 HydrophobicContact CG-CD2 3.67Å; P336-Y418 HydrophobicContact CG-CE2 3.64Å; P336-Y418 WeakPolarHBondContact O-CD2 3.47Å; S414-Y418 PolarHBondContact O-N 3.42Å; I415-Y418 PolarHBondContact O-N 3.49Å; L416-Y418 PolarHBondContact O-N 3.22Å; Y418-A420 PolarHBondContact O-N 3.46Å; Y418-S421 PolarHBondContact O-N 3.41Å; Y418-E422 PolarHBondContact O-N 3.07Å; Y418-R448 HydrophobicContact CE1-CB 3.71Å; Y418-R448 PolarHBondContact OH-O 2.88Å; Y418-L449 HydrophobicContact CD1-CD2 4.39Å; Y418-L449 HydrophobicContact CE1-CD2 4.32Å
419	M	87.3	Confident	88.6	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-45.4	178.3	178.8	-165.7	-68	0	0	112	I415 L416 S421 E422 L423 I430 T441 Y444 A445	I415-M419 PolarHBondContact O-N 3.34Å; I415-M419 VanDerWaalsContact O-N 3.11Å; L416-M419 PolarHBondContact O-N 3.01Å; M419-S421 VanDerWaalsContact C-N 3.25Å; M419-S421 PolarHBondContact O-N 3.33Å; M419-E422 PolarHBondContact O-N 3.13Å; M419-E422 VanDerWaalsContact O-N 3.1Å; M419-L423 HydrophobicContact CG-CD1 3.53Å; M419-L423 HydrophobicContact CG-CG 3.98Å; M419-L423 WeakPolarHBondContact O-CB 3.31Å; M419-L423 WeakPolarHBondContact O-CG 3.47Å; M419-L423 PolarHBondContact O-N 3.26Å; M419-L423 HydrophobicContact SD-CD1 3.87Å; M419-I430 HydrophobicContact CB-CD1 4.11Å; M419-I430 HydrophobicContact CG-CD1 4.12Å; M419-I430 HydrophobicContact SD-CB 4.11Å; M419-I430 HydrophobicContact SD-CD1 3.75Å; M419-I430 HydrophobicContact SD-CG1 4.5Å; M419-I430 HydrophobicContact SD-CG2 4.1Å; M419-T441 WeakPolarHBondContact CE-O 3.41Å; M419-Y444 HydrophobicContact CE-CD1 3.58Å; M419-Y444 HydrophobicContact CE-CE1 4.38Å; M419-Y444 HydrophobicContact CE-CG 4.32Å; M419-Y444 HydrophobicContact SD-CD1 3.78Å; M419-Y444 HydrophobicContact SD-CE1 4.16Å; M419-A445 HydrophobicContact CE-CB 3.16Å
420	A	88.9	Confident	87.8	Confident	5 Å²	5	36.1 Å²	36.1	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-56.7	-43.6	-178.8	0	0	0	0	0	110.8	L416 G417 Y418 L423 D424 T425 V427 I430	L416-A420 WeakPolarHBondContact O-CB 3.25Å; L416-A420 PolarHBondContact O-N 3.03Å; G417-A420 PolarHBondContact O-N 3.22Å; Y418-A420 PolarHBondContact O-N 3.46Å; A420-L423 CarbonylContact O-C 3.14Å; A420-L423 PolarHBondContact O-N 3.35Å; A420-D424 PolarHBondContact O-N 3.15Å; A420-T425 CarbonylContact C-O 3.54Å; A420-T425 WeakPolarHBondContact CB-O 3.47Å; A420-T425 PolarHBondContact O-N 2.72Å; A420-T425 VanDerWaalsContact O-O 3.06Å; A420-V427 HydrophobicContact CB-CG2 3.69Å; A420-I430 HydrophobicContact CB-CD1 3.96Å
421	S	88.2	Confident	86.9	Confident	53 Å²	53	33.9 Å²	33.9	37%	0.371	19%	0.192	S	C	.	.	H	α-helix	trans	-65.2	-42.4	174.4	178.5	0	0	0	0	113.4	N337 G417 Y418 M419 L423 D424	N337-S421 PolarHBondContact ND2-OG 2.99Å; G417-S421 PolarHBondContact O-N 3.24Å; Y418-S421 PolarHBondContact O-N 3.41Å; M419-S421 VanDerWaalsContact C-N 3.25Å; M419-S421 PolarHBondContact O-N 3.33Å; S421-L423 VanDerWaalsContact C-N 3.26Å; S421-L423 PolarHBondContact O-N 2.84Å; S421-D424 PolarHBondContact O-N 3.36Å
422	E	83.5	Confident	85.9	Confident	65 Å²	65	36.2 Å²	36.2	30%	0.304	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-32.3	-179.7	-170.8	58.5	-129.7	0	0	112	K225 Y418 M419	K225-E422 PolarHBondContact NZ-O 3.05Å; K225-E422 IonicContact NZ-OE1 2.78Å; K225-E422 PolarHBondContact NZ-OE1 3.22Å; K225-E422 VanDerWaalsContact NZ-OE1 3.16Å; Y418-E422 PolarHBondContact O-N 3.07Å; M419-E422 PolarHBondContact O-N 3.13Å; M419-E422 VanDerWaalsContact O-N 3.1Å
423	L	83.5	Confident	84.9	Confident	23 Å²	23	39.1 Å²	39.1	12%	0.12	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	7.1	177.2	-59.9	-179.6	0	0	0	113.7	K221 M419 A420 S421 T425 I430 Y444	K221-L423 HydrophobicContact CD-CD2 3.68Å; K221-L423 PolarHBondContact NZ-O 2.85Å; M419-L423 HydrophobicContact CG-CD1 3.53Å; M419-L423 HydrophobicContact CG-CG 3.98Å; M419-L423 WeakPolarHBondContact O-CB 3.31Å; M419-L423 WeakPolarHBondContact O-CG 3.47Å; M419-L423 PolarHBondContact O-N 3.26Å; M419-L423 HydrophobicContact SD-CD1 3.87Å; A420-L423 CarbonylContact O-C 3.14Å; A420-L423 PolarHBondContact O-N 3.35Å; S421-L423 VanDerWaalsContact C-N 3.26Å; S421-L423 PolarHBondContact O-N 2.84Å; L423-T425 HydrophobicContact CB-CG2 3.77Å; L423-T425 HydrophobicContact CD1-CG2 4.46Å; L423-T425 PolarHBondContact O-N 3.01Å; L423-I430 HydrophobicContact CD1-CG2 4.18Å; L423-Y444 HydrophobicContact CD1-CE1 3.65Å; L423-Y444 HydrophobicContact CD2-CE1 4.17Å; L423-Y444 WeakPolarHBondContact CD2-OH 3.46Å; L423-Y444 HydrophobicContact CG-CE1 4.45Å
424	D	84.3	Confident	83.8	Confident	152 Å²	152	40.3 Å²	40.3	81%	0.813	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.1	46.3	-179.2	-163.2	31.5	0	0	0	112.1	A420 S421	A420-D424 PolarHBondContact O-N 3.15Å; S421-D424 PolarHBondContact O-N 3.36Å
425	T	86.5	Confident	82.9	Confident	51 Å²	51	41.7 Å²	41.7	31%	0.313	25%	0.249	S	C	.	.	S	Bend	trans	-139.5	179	-176.6	-163.2	0	0	0	0	110	A420 L423 I430	A420-T425 CarbonylContact C-O 3.54Å; A420-T425 WeakPolarHBondContact CB-O 3.47Å; A420-T425 PolarHBondContact O-N 2.72Å; A420-T425 VanDerWaalsContact O-O 3.06Å; L423-T425 HydrophobicContact CB-CG2 3.77Å; L423-T425 HydrophobicContact CD1-CG2 4.46Å; L423-T425 PolarHBondContact O-N 3.01Å; T425-I430 HydrophobicContact CG2-CG2 3.76Å
426	T	88.8	Confident	82.5	Confident	74 Å²	74	42.2 Å²	42.2	45%	0.454	26%	0.256	S	S	.	.			trans	-102.9	156	180	58.7	0	0	0	0	111.4	D428 V429	T426-D428 VanDerWaalsContact C-N 3.26Å; T426-D428 WeakPolarHBondContact CB-OD1 3.31Å; T426-D428 PolarHBondContact O-N 3.16Å; T426-D428 PolarHBondContact OG1-OD1 3.47Å; T426-V429 PolarHBondContact O-N 2.98Å; T426-V429 WeakPolarHBondContact OG1-CG2 3.45Å
427	V	86.7	Confident	82.2	Confident	10 Å²	10	42.2 Å²	42.2	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-30.8	-174	174.8	0	0	0	0	112.4	F344 F413 L416 A420 V429 I430 A431	F344-V427 HydrophobicContact CB-CB 4.46Å; F344-V427 HydrophobicContact CB-CG1 4.33Å; F344-V427 HydrophobicContact CD1-CB 4.41Å; F344-V427 HydrophobicContact CD1-CG1 3.78Å; F344-V427 HydrophobicContact CD2-CB 4.43Å; F344-V427 HydrophobicContact CE1-CG1 4.19Å; F344-V427 HydrophobicContact CG-CB 4.19Å; F344-V427 HydrophobicContact CG-CG1 4.01Å; F413-V427 HydrophobicContact CD1-CG1 3.74Å; F413-V427 HydrophobicContact CE1-CG1 3.79Å; L416-V427 HydrophobicContact CB-CG1 4.19Å; A420-V427 HydrophobicContact CB-CG2 3.69Å; V427-V429 VanDerWaalsContact C-N 3.33Å; V427-V429 PolarHBondContact O-N 3.27Å; V427-I430 WeakPolarHBondContact O-CG1 3.42Å; V427-I430 PolarHBondContact O-N 3.17Å; V427-A431 WeakPolarHBondContact O-CB 3.45Å; V427-A431 PolarHBondContact O-N 2.94Å
428	D	83.3	Confident	82.1	Confident	95 Å²	95	42.3 Å²	42.3	51%	0.508	26%	0.256	S	S	.	.	H	α-helix	trans	-66.3	-31.6	177.8	57.9	-63.7	0	0	0	113.1	F344 T426	F344-D428 HydrophobicContact CE2-CB 4.02Å; F344-D428 HydrophobicContact CZ-CB 3.91Å; T426-D428 VanDerWaalsContact C-N 3.26Å; T426-D428 WeakPolarHBondContact CB-OD1 3.31Å; T426-D428 PolarHBondContact O-N 3.16Å; T426-D428 PolarHBondContact OG1-OD1 3.47Å
429	V	78.9	Confident	82.3	Confident	95 Å²	95	40.8 Å²	40.8	58%	0.576	25%	0.25	S	S	*	.	H	α-helix	trans	-72.9	-32.9	-179.8	176.3	0	0	0	0	111.7	T426 V427	T426-V429 PolarHBondContact O-N 2.98Å; T426-V429 WeakPolarHBondContact OG1-CG2 3.45Å; V427-V429 VanDerWaalsContact C-N 3.33Å; V427-V429 PolarHBondContact O-N 3.27Å
430	I	78.1	Confident	82.5	Confident	19 Å²	19	40.8 Å²	40.8	10%	0.097	25%	0.25	C	S	.	.	H	α-helix	trans	-90.2	-19.9	-176.4	58.5	173.5	0	0	0	113.7	L416 M419 A420 L423 T425 V427 T432 T441	L416-I430 HydrophobicContact CB-CD1 3.88Å; L416-I430 HydrophobicContact CD2-CD1 3.86Å; L416-I430 HydrophobicContact CD2-CG1 4.25Å; L416-I430 HydrophobicContact CG-CD1 4.4Å; L416-I430 VanDerWaalsContact O-CD1 3.26Å; L416-I430 WeakPolarHBondContact O-CD1 3.33Å; M419-I430 HydrophobicContact CB-CD1 4.11Å; M419-I430 HydrophobicContact CG-CD1 4.12Å; M419-I430 HydrophobicContact SD-CB 4.11Å; M419-I430 HydrophobicContact SD-CD1 3.75Å; M419-I430 HydrophobicContact SD-CG1 4.5Å; M419-I430 HydrophobicContact SD-CG2 4.1Å; A420-I430 HydrophobicContact CB-CD1 3.96Å; L423-I430 HydrophobicContact CD1-CG2 4.18Å; T425-I430 HydrophobicContact CG2-CG2 3.76Å; V427-I430 WeakPolarHBondContact O-CG1 3.42Å; V427-I430 PolarHBondContact O-N 3.17Å; I430-T432 PolarHBondContact O-N 3.15Å; I430-T441 WeakPolarHBondContact O-CG2 3.48Å; I430-T441 PolarHBondContact O-OG1 3.22Å; I430-T441 VanDerWaalsContact O-OG1 3.14Å
431	A	75.5	Confident	82.4	Confident	17 Å²	17	41 Å²	41	14%	0.14	25%	0.251	C	S	.	.			trans	-78.2	81.3	-178.8	0	0	0	0	0	111.4	Y98 L416 V427	Y98-A431 WeakPolarHBondContact CE2-O 3.38Å; L416-A431 HydrophobicContact CD1-CB 4.25Å; V427-A431 WeakPolarHBondContact O-CB 3.45Å; V427-A431 PolarHBondContact O-N 2.94Å
432	T	71.5	Confident	82.4	Confident	55 Å²	55	38.7 Å²	38.7	34%	0.337	23%	0.234	S	C	.	.			trans	-71.4	159	174.8	63.1	0	0	0	0	112	Y98 I430 L437 T441	Y98-T432 VanDerWaalsContact CD2-O 3.3Å; Y98-T432 WeakPolarHBondContact CD2-O 3.24Å; I430-T432 PolarHBondContact O-N 3.15Å; T432-L437 WeakPolarHBondContact O-CB 3.43Å; T432-L437 WeakPolarHBondContact O-CD1 3.4Å; T432-L437 PolarHBondContact OG1-N 3.47Å; T432-T441 PolarHBondContact OG1-OG1 2.85Å
433	S	69.1	Low	82.8	Confident	66 Å²	66	35.6 Å²	35.6	46%	0.462	22%	0.22	S	C	.	.			trans	-90.5	157.3	177.7	57.1	0	0	0	0	113.2
434	G	69.2	Low	83.1	Confident	26 Å²	26	35.4 Å²	35.4	27%	0.268	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-148.9	165	0	0	0	0	0	113.9	G436 L437	G434-G436 PolarHBondContact O-N 3.3Å; G434-L437 WeakPolarHBondContact O-CB 3.5Å; G434-L437 PolarHBondContact O-N 3.34Å; G434-L437 VanDerWaalsContact O-N 3.11Å
435	P	75	Confident	83.2	Confident	30 Å²	30	28.2 Å²	28.2	20%	0.195	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-29.3	179.2	-23.5	33.1	0	0	0	114.7	W94 W191 L437 L438 F439	W94-P435 HydrophobicContact CE3-CB 4.43Å; W94-P435 HydrophobicContact CH2-CB 4.39Å; W94-P435 HydrophobicContact CH2-CG 3.91Å; W94-P435 HydrophobicContact CZ3-CB 3.72Å; W94-P435 HydrophobicContact CZ3-CG 3.71Å; W191-P435 HydrophobicContact CZ3-CB 4.14Å; P435-L437 PolarHBondContact O-N 3.11Å; P435-L438 PolarHBondContact O-N 3.41Å; P435-F439 HydrophobicContact CB-CD2 4.34Å; P435-F439 WeakPolarHBondContact O-CD2 3.3Å; P435-F439 PolarHBondContact O-N 2.85Å
436	G	81.9	Confident	83.4	Confident	17 Å²	17	25.9 Å²	25.9	18%	0.175	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-36.1	174.9	0	0	0	0	0	112.4	G434 L438 V440 T441	G434-G436 PolarHBondContact O-N 3.3Å; G436-L438 VanDerWaalsContact C-N 3.31Å; G436-L438 PolarHBondContact O-N 3.4Å; G436-V440 CarbonylContact O-C 3.59Å; G436-V440 VanDerWaalsContact O-CA 3.24Å; G436-V440 WeakPolarHBondContact O-CA 3.36Å; G436-V440 WeakPolarHBondContact O-CB 3.39Å; G436-V440 PolarHBondContact O-N 3.43Å; G436-T441 PolarHBondContact O-N 2.88Å
437	L	84	Confident	83.5	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	15%	0.148	C	C	.	.	I	π-helix	trans	-62.6	-42.6	177.1	-166.6	67.1	0	0	0	111.4	W94 T432 G434 P435 T441 Y442	W94-L437 HydrophobicContact CB-CD2 4.46Å; W94-L437 WeakPolarHBondContact O-CD2 3.49Å; T432-L437 WeakPolarHBondContact O-CB 3.43Å; T432-L437 WeakPolarHBondContact O-CD1 3.4Å; T432-L437 PolarHBondContact OG1-N 3.47Å; G434-L437 WeakPolarHBondContact O-CB 3.5Å; G434-L437 PolarHBondContact O-N 3.34Å; G434-L437 VanDerWaalsContact O-N 3.11Å; P435-L437 PolarHBondContact O-N 3.11Å; L437-T441 HydrophobicContact CD1-CG2 3.91Å; L437-Y442 HydrophobicContact CD1-CE1 4.43Å; L437-Y442 HydrophobicContact CD2-CE2 4.28Å; L437-Y442 WeakPolarHBondContact CD2-OH 3.39Å; L437-Y442 HydrophobicContact CG-CE1 4.33Å; L437-Y442 HydrophobicContact CG-CE2 3.85Å; L437-Y442 WeakPolarHBondContact CG-OH 3.3Å; L437-Y442 WeakPolarHBondContact O-CD2 3.32Å; L437-Y442 PolarHBondContact O-N 2.94Å
438	L	90	Very high	83.5	Confident	1 Å²	1	24 Å²	24	1%	0.005	15%	0.15	C	C	.	.	I	π-helix	trans	-77	-40	-174.6	-169.1	72	0	0	0	113.8	I93 W94 P435 G436 Y442 P443 F459 V463	I93-L438 HydrophobicContact CG2-CD1 3.96Å; W94-L438 HydrophobicContact CB-CB 4.39Å; W94-L438 HydrophobicContact CE3-CB 3.72Å; W94-L438 HydrophobicContact CE3-CD2 3.87Å; W94-L438 HydrophobicContact CE3-CG 4.42Å; W94-L438 HydrophobicContact CZ3-CB 4.44Å; W94-L438 HydrophobicContact CZ3-CD2 4.18Å; P435-L438 PolarHBondContact O-N 3.41Å; G436-L438 VanDerWaalsContact C-N 3.31Å; G436-L438 PolarHBondContact O-N 3.4Å; L438-Y442 HydrophobicContact CD1-CD2 4.16Å; L438-Y442 HydrophobicContact CD1-CE2 4.33Å; L438-P443 VanDerWaalsContact O-CD 3.29Å; L438-P443 WeakPolarHBondContact O-CD 3.41Å; L438-P443 WeakPolarHBondContact O-CG 3.45Å; L438-F459 HydrophobicContact CD1-CE1 3.81Å; L438-F459 HydrophobicContact CD1-CE2 4.48Å; L438-F459 HydrophobicContact CD1-CZ 3.4Å; L438-F459 VanDerWaalsContact CD1-CZ 3.4Å; L438-F459 HydrophobicContact CG-CE1 4.47Å; L438-F459 HydrophobicContact CG-CZ 4.46Å; L438-V463 HydrophobicContact CD1-CG2 3.58Å; L438-V463 HydrophobicContact CD2-CG1 3.77Å; L438-V463 HydrophobicContact CD2-CG2 4.3Å; L438-V463 HydrophobicContact CG-CG2 4.3Å
439	F	93.5	Very high	83.7	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-107.4	-8.9	-172.9	-61.7	-72.6	0	0	0	114.3	V188 W191 A192 Y195 F267 P435 P443 F460	V188-F439 HydrophobicContact CG1-CE2 3.94Å; V188-F439 HydrophobicContact CG1-CZ 4.07Å; W191-F439 HydrophobicContact CB-CD1 4.19Å; W191-F439 HydrophobicContact CB-CE1 3.64Å; W191-F439 HydrophobicContact CB-CE2 4.23Å; W191-F439 HydrophobicContact CB-CZ 3.65Å; W191-F439 AromaticContact CE3-CD2 3.93Å; W191-F439 HydrophobicContact CE3-CD2 3.93Å; W191-F439 AromaticContact CE3-CE2 3.63Å; W191-F439 HydrophobicContact CE3-CE2 3.63Å; W191-F439 HydrophobicContact CE3-CZ 4.21Å; W191-F439 HydrophobicContact CZ3-CE2 4.44Å; A192-F439 HydrophobicContact CB-CE1 4.17Å; A192-F439 HydrophobicContact CB-CZ 4.36Å; Y195-F439 AromaticContact CD2-CD1 3.72Å; Y195-F439 HydrophobicContact CD2-CD1 3.72Å; Y195-F439 HydrophobicContact CD2-CE1 4.26Å; Y195-F439 HydrophobicContact CE2-CB 4.14Å; Y195-F439 AromaticContact CE2-CD1 3.65Å; Y195-F439 HydrophobicContact CE2-CD1 3.65Å; Y195-F439 HydrophobicContact CE2-CG 4.28Å; Y195-F439 HydrophobicContact CG-CD1 4.38Å; Y195-F439 PolarHBondContact OH-O 3.08Å; F267-F439 HydrophobicContact CD2-CB 3.6Å; F267-F439 HydrophobicContact CD2-CG 4.28Å; F267-F439 HydrophobicContact CE1-CB 4.49Å; F267-F439 HydrophobicContact CE2-CB 3.55Å; F267-F439 HydrophobicContact CE2-CD2 4.11Å; F267-F439 AromaticContact CE2-CG 3.81Å; F267-F439 HydrophobicContact CE2-CG 3.81Å; F267-F439 HydrophobicContact CG-CB 4.11Å; F267-F439 HydrophobicContact CZ-CB 4.02Å; F267-F439 HydrophobicContact CZ-CD2 4.21Å; F267-F439 HydrophobicContact CZ-CG 4.31Å; P435-F439 HydrophobicContact CB-CD2 4.34Å; P435-F439 WeakPolarHBondContact O-CD2 3.3Å; P435-F439 PolarHBondContact O-N 2.85Å; F439-P443 WeakPolarHBondContact O-CG 3.28Å; F439-F460 AromaticContact CD1-CE1 3.87Å; F439-F460 HydrophobicContact CD1-CE1 3.87Å; F439-F460 HydrophobicContact CE1-CD1 4.45Å; F439-F460 AromaticContact CE1-CE1 3.95Å; F439-F460 HydrophobicContact CE1-CE1 3.95Å
440	V	91.5	Very high	84.1	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.012	12%	0.124	C	C	.	.	I	π-helix	trans	-119.2	-62.7	176.4	-177.4	0	0	0	0	111.6	V263 Q264 F267 G436 P443 Y444	V263-V440 HydrophobicContact CB-CG1 4.31Å; V263-V440 HydrophobicContact CG1-CG1 4.41Å; V263-V440 WeakPolarHBondContact CG1-O 3.44Å; Q264-V440 HydrophobicContact CB-CG1 3.87Å; F267-V440 HydrophobicContact CB-CG2 3.87Å; F267-V440 HydrophobicContact CD1-CG2 3.95Å; F267-V440 HydrophobicContact CG-CG2 4.12Å; G436-V440 CarbonylContact O-C 3.59Å; G436-V440 VanDerWaalsContact O-CA 3.24Å; G436-V440 WeakPolarHBondContact O-CA 3.36Å; G436-V440 WeakPolarHBondContact O-CB 3.39Å; G436-V440 PolarHBondContact O-N 3.43Å; V440-P443 WeakPolarHBondContact O-CD 3.45Å; V440-Y444 WeakPolarHBondContact O-CB 3.42Å; V440-Y444 PolarHBondContact O-N 3.06Å
441	T	87.9	Confident	84.7	Confident	9 Å²	9	24.1 Å²	24.1	6%	0.055	15%	0.151	C	C	.	.	I	π-helix	trans	-64.5	-49.3	-173.8	-61	0	0	0	0	111.8	L416 M419 I430 T432 G436 L437 Y444 A445	L416-T441 HydrophobicContact CD2-CG2 3.42Å; L416-T441 VanDerWaalsContact CD2-CG2 3.42Å; M419-T441 WeakPolarHBondContact CE-O 3.41Å; I430-T441 WeakPolarHBondContact O-CG2 3.48Å; I430-T441 PolarHBondContact O-OG1 3.22Å; I430-T441 VanDerWaalsContact O-OG1 3.14Å; T432-T441 PolarHBondContact OG1-OG1 2.85Å; G436-T441 PolarHBondContact O-N 2.88Å; L437-T441 HydrophobicContact CD1-CG2 3.91Å; T441-Y444 PolarHBondContact O-N 2.79Å; T441-A445 PolarHBondContact O-N 2.93Å
442	Y	88.1	Confident	85.5	Confident	4 Å²	4	23.8 Å²	23.8	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-45.5	179.3	-60.5	-46.1	0	0	0	114.1	I93 V412 L437 L438 Y444 A445 L446 F459	I93-Y442 HydrophobicContact CG2-CE2 4.26Å; I93-Y442 PolarHBondContact O-OH 3.42Å; V412-Y442 HydrophobicContact CB-CE1 4.04Å; V412-Y442 HydrophobicContact CG1-CE1 3.72Å; V412-Y442 WeakPolarHBondContact CG1-OH 3.47Å; V412-Y442 HydrophobicContact CG2-CE1 3.68Å; V412-Y442 HydrophobicContact CG2-CE2 4.3Å; V412-Y442 WeakPolarHBondContact CG2-OH 3.33Å; L437-Y442 HydrophobicContact CD1-CE1 4.43Å; L437-Y442 HydrophobicContact CD2-CE2 4.28Å; L437-Y442 WeakPolarHBondContact CD2-OH 3.39Å; L437-Y442 HydrophobicContact CG-CE1 4.33Å; L437-Y442 HydrophobicContact CG-CE2 3.85Å; L437-Y442 WeakPolarHBondContact CG-OH 3.3Å; L437-Y442 WeakPolarHBondContact O-CD2 3.32Å; L437-Y442 PolarHBondContact O-N 2.94Å; L438-Y442 HydrophobicContact CD1-CD2 4.16Å; L438-Y442 HydrophobicContact CD1-CE2 4.33Å; Y442-Y444 PolarHBondContact O-N 3.07Å; Y442-A445 CarbonylContact O-C 3.39Å; Y442-A445 WeakPolarHBondContact O-CA 3.15Å; Y442-A445 VanDerWaalsContact O-CB 3.26Å; Y442-A445 WeakPolarHBondContact O-CB 3.33Å; Y442-A445 PolarHBondContact O-N 3.05Å; Y442-L446 VanDerWaalsContact O-CG 3.28Å; Y442-L446 WeakPolarHBondContact O-CG 3.33Å; Y442-L446 PolarHBondContact O-N 2.96Å; Y442-F459 HydrophobicContact CD2-CE1 4.1Å; Y442-F459 AromaticContact CD2-CE2 3.86Å; Y442-F459 HydrophobicContact CD2-CE2 3.86Å; Y442-F459 AromaticContact CD2-CZ 3.27Å; Y442-F459 HydrophobicContact CD2-CZ 3.27Å; Y442-F459 HydrophobicContact CE2-CE2 4.48Å; Y442-F459 HydrophobicContact CE2-CZ 4.08Å; Y442-F459 HydrophobicContact CG-CE1 4.46Å; Y442-F459 HydrophobicContact CG-CE2 4.17Å; Y442-F459 AromaticContact CG-CZ 3.8Å; Y442-F459 HydrophobicContact CG-CZ 3.8Å
443	P	92.5	Very high	86.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-29.5	-179.1	-24.2	39.1	0	0	0	111.1	Y195 W206 V263 L438 F439 V440 L446 T447 F460	Y195-P443 HydrophobicContact CD1-CG 4.41Å; Y195-P443 HydrophobicContact CE1-CB 4.1Å; Y195-P443 HydrophobicContact CE1-CG 4.07Å; W206-P443 HydrophobicContact CZ2-CB 4.24Å; W206-P443 PolarHBondContact NE1-O 3.24Å; V263-P443 HydrophobicContact CG1-CB 3.87Å; L438-P443 VanDerWaalsContact O-CD 3.29Å; L438-P443 WeakPolarHBondContact O-CD 3.41Å; L438-P443 WeakPolarHBondContact O-CG 3.45Å; F439-P443 WeakPolarHBondContact O-CG 3.28Å; V440-P443 WeakPolarHBondContact O-CD 3.45Å; P443-L446 PolarHBondContact O-N 2.88Å; P443-T447 WeakPolarHBondContact O-CG2 3.32Å; P443-T447 PolarHBondContact O-N 2.84Å; P443-F460 HydrophobicContact CB-CZ 4.19Å; P443-F460 HydrophobicContact CG-CE1 4.39Å; P443-F460 HydrophobicContact CG-CE2 4.19Å; P443-F460 HydrophobicContact CG-CZ 3.48Å; P443-F460 VanDerWaalsContact CG-CZ 3.48Å
444	Y	89.2	Confident	88	Confident	20 Å²	20	23.6 Å²	23.6	8%	0.078	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-37	168.2	-171.7	-117.4	0	0	0	113.5	N261 P262 V263 M419 L423 V440 T441 Y442 T447 R448	N261-Y444 HydrophobicContact CB-CE2 4.42Å; P262-Y444 HydrophobicContact CG-CE2 4.46Å; V263-Y444 HydrophobicContact CG2-CD2 3.63Å; V263-Y444 HydrophobicContact CG2-CG 4.11Å; M419-Y444 HydrophobicContact CE-CD1 3.58Å; M419-Y444 HydrophobicContact CE-CE1 4.38Å; M419-Y444 HydrophobicContact CE-CG 4.32Å; M419-Y444 HydrophobicContact SD-CD1 3.78Å; M419-Y444 HydrophobicContact SD-CE1 4.16Å; L423-Y444 HydrophobicContact CD1-CE1 3.65Å; L423-Y444 HydrophobicContact CD2-CE1 4.17Å; L423-Y444 WeakPolarHBondContact CD2-OH 3.46Å; L423-Y444 HydrophobicContact CG-CE1 4.45Å; V440-Y444 WeakPolarHBondContact O-CB 3.42Å; V440-Y444 PolarHBondContact O-N 3.06Å; T441-Y444 PolarHBondContact O-N 2.79Å; Y442-Y444 PolarHBondContact O-N 3.07Å; Y444-T447 PolarHBondContact O-OG1 3.25Å; Y444-R448 PolarHBondContact OH-NH2 3.28Å
445	A	87	Confident	89.1	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-41.6	173.9	0	0	0	0	0	112.6	I415 M419 T441 Y442 T447 R448	I415-A445 HydrophobicContact CG2-CB 3.23Å; M419-A445 HydrophobicContact CE-CB 3.16Å; T441-A445 PolarHBondContact O-N 2.93Å; Y442-A445 CarbonylContact O-C 3.39Å; Y442-A445 WeakPolarHBondContact O-CA 3.15Å; Y442-A445 VanDerWaalsContact O-CB 3.26Å; Y442-A445 WeakPolarHBondContact O-CB 3.33Å; Y442-A445 PolarHBondContact O-N 3.05Å; A445-T447 VanDerWaalsContact C-N 3.27Å; A445-T447 PolarHBondContact O-N 3.08Å; A445-R448 WeakPolarHBondContact O-CB 3.43Å; A445-R448 PolarHBondContact O-N 3.39Å; A445-R448 VanDerWaalsContact O-N 3.11Å
446	L	90.5	Very high	90.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-67.4	-29.2	-176.6	-65.1	174.2	0	0	0	111.8	Y442 P443 R448 L449 A452 W455 F459	Y442-L446 VanDerWaalsContact O-CG 3.28Å; Y442-L446 WeakPolarHBondContact O-CG 3.33Å; Y442-L446 PolarHBondContact O-N 2.96Å; P443-L446 PolarHBondContact O-N 2.88Å; L446-R448 PolarHBondContact O-N 3.5Å; L446-R448 VanDerWaalsContact O-N 3.15Å; L446-L449 HydrophobicContact CD2-CD1 3.7Å; L446-L449 PolarHBondContact O-N 3.42Å; L446-L449 VanDerWaalsContact O-N 3.11Å; L446-A452 WeakPolarHBondContact O-CB 3.35Å; L446-W455 HydrophobicContact CD2-CB 3.9Å; L446-F459 HydrophobicContact CD1-CB 3.7Å; L446-F459 HydrophobicContact CD1-CD1 3.91Å; L446-F459 HydrophobicContact CD1-CG 3.78Å
447	T	90.9	Very high	90.8	Very high	15 Å²	15	23 Å²	23	9%	0.092	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.1	174.6	70.4	0	0	0	0	113.1	L204 W206 K207 P443 Y444 A445	L204-T447 HydrophobicContact CB-CG2 4.4Å; L204-T447 HydrophobicContact CD1-CG2 4Å; W206-T447 VanDerWaalsContact CD1-CG2 3.45Å; K207-T447 HydrophobicContact CB-CG2 4.23Å; P443-T447 WeakPolarHBondContact O-CG2 3.32Å; P443-T447 PolarHBondContact O-N 2.84Å; Y444-T447 PolarHBondContact O-OG1 3.25Å; A445-T447 VanDerWaalsContact C-N 3.27Å; A445-T447 PolarHBondContact O-N 3.08Å
448	R	85.8	Confident	91.3	Very high	29 Å²	29	25 Å²	25	11%	0.109	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.2	179.5	-49.1	-51.9	-176.2	147.4	-9.7	113.3	D222 Y418 Y444 A445 L446	D222-R448 IonicContact OD1-CZ 3.94Å; D222-R448 IonicContact OD1-NH1 3.38Å; D222-R448 PolarHBondContact OD1-NH1 3.45Å; D222-R448 IonicContact OD1-NH2 3.05Å; D222-R448 IonicContact OD2-CZ 2.7Å; D222-R448 IonicContact OD2-NH1 2.68Å; D222-R448 PolarHBondContact OD2-NH1 3.4Å; D222-R448 IonicContact OD2-NH2 3.87Å; Y418-R448 HydrophobicContact CE1-CB 3.71Å; Y418-R448 PolarHBondContact OH-O 2.88Å; Y444-R448 PolarHBondContact OH-NH2 3.28Å; A445-R448 WeakPolarHBondContact O-CB 3.43Å; A445-R448 PolarHBondContact O-N 3.39Å; A445-R448 VanDerWaalsContact O-N 3.11Å; L446-R448 PolarHBondContact O-N 3.5Å; L446-R448 VanDerWaalsContact O-N 3.15Å
449	L	87.6	Confident	91.5	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.047	14%	0.138	C	C	.	.	S	Bend	trans	-86.1	141.4	178.3	-56.7	-178.5	0	0	0	110.7	R331 L335 Y418 L446 L451 A452 W455	R331-L449 HydrophobicContact CG-CD1 4.35Å; L335-L449 HydrophobicContact CD1-CD2 3.39Å; L335-L449 HydrophobicContact CD2-CD2 3.61Å; L335-L449 HydrophobicContact CG-CD2 4.09Å; Y418-L449 HydrophobicContact CD1-CD2 4.39Å; Y418-L449 HydrophobicContact CE1-CD2 4.32Å; L446-L449 HydrophobicContact CD2-CD1 3.7Å; L446-L449 PolarHBondContact O-N 3.42Å; L446-L449 VanDerWaalsContact O-N 3.11Å; L449-L451 PolarHBondContact O-N 3.35Å; L449-A452 WeakPolarHBondContact O-CB 3.49Å; L449-A452 PolarHBondContact O-N 2.85Å; L449-A452 VanDerWaalsContact O-N 3.1Å; L449-W455 HydrophobicContact CB-CG 4.4Å; L449-W455 HydrophobicContact CD1-CB 3.99Å; L449-W455 HydrophobicContact CD1-CD2 4.44Å; L449-W455 HydrophobicContact CD1-CG 3.82Å
450	P	86.6	Confident	91.6	Very high	74 Å²	74	25.5 Å²	25.5	48%	0.481	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140.3	164.2	28.9	-33.8	0	0	0	108.9	A452 W455	P450-A452 VanDerWaalsContact C-N 3.29Å; P450-W455 VanDerWaalsContact O-CD1 3.28Å; P450-W455 PolarHBondContact O-NE1 3.05Å
451	L	91.2	Very high	91.9	Very high	128 Å²	128	28.8 Å²	28.8	67%	0.67	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	40.1	-170.5	-51.9	171.5	0	0	0	112.2	L449 P453 L454 W455	L449-L451 PolarHBondContact O-N 3.35Å; L451-P453 VanDerWaalsContact C-N 3.27Å; L451-P453 VanDerWaalsContact O-N 3.11Å; L451-L454 HydrophobicContact CB-CB 4.26Å; L451-L454 WeakPolarHBondContact O-CB 3.31Å; L451-L454 PolarHBondContact O-N 3.32Å; L451-W455 VanDerWaalsContact O-CD1 3.29Å; L451-W455 PolarHBondContact O-N 3.29Å
452	A	93.4	Very high	92.2	Very high	11 Å²	11	28.4 Å²	28.4	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-43.3	-42.7	178.7	0	0	0	0	0	114.8	L204 L446 L449 P450 L454 W455 S456	L204-A452 HydrophobicContact CD1-CB 3.76Å; L204-A452 HydrophobicContact CG-CB 4.28Å; L446-A452 WeakPolarHBondContact O-CB 3.35Å; L449-A452 WeakPolarHBondContact O-CB 3.49Å; L449-A452 PolarHBondContact O-N 2.85Å; L449-A452 VanDerWaalsContact O-N 3.1Å; P450-A452 VanDerWaalsContact C-N 3.29Å; A452-L454 VanDerWaalsContact C-N 3.33Å; A452-L454 PolarHBondContact O-N 3.47Å; A452-W455 PolarHBondContact O-N 3.04Å; A452-S456 WeakPolarHBondContact O-CB 3.4Å; A452-S456 PolarHBondContact O-N 3Å
453	P	96.7	Very high	92.5	Very high	29 Å²	29	28.2 Å²	28.2	19%	0.188	15%	0.149	C	C	.	.	H	α-helix	trans	-55.7	-41.5	175.2	-28.4	37.4	0	0	0	114.3	S199 T201 S202 L204 L451 S456 C457	S199-P453 WeakPolarHBondContact O-CB 3.45Å; T201-P453 WeakPolarHBondContact O-CB 3.39Å; T201-P453 WeakPolarHBondContact O-CG 3.42Å; S202-P453 WeakPolarHBondContact O-CG 3.3Å; L204-P453 HydrophobicContact CD2-CG 4.46Å; L451-P453 VanDerWaalsContact C-N 3.27Å; L451-P453 VanDerWaalsContact O-N 3.11Å; P453-S456 PolarHBondContact O-N 3.21Å; P453-C457 PolarHBondContact O-N 3.45Å; P453-C457 PolarHBondContact O-SG 2.95Å; P453-C457 VanDerWaalsContact O-SG 3.32Å
454	L	95	Very high	92.8	Very high	87 Å²	87	28.9 Å²	28.9	46%	0.455	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-50	178.3	173.8	64.6	0	0	0	111	L451 A452 S456 C457 L458	L451-L454 HydrophobicContact CB-CB 4.26Å; L451-L454 WeakPolarHBondContact O-CB 3.31Å; L451-L454 PolarHBondContact O-N 3.32Å; A452-L454 VanDerWaalsContact C-N 3.33Å; A452-L454 PolarHBondContact O-N 3.47Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-S456 PolarHBondContact O-N 3.07Å; L454-C457 PolarHBondContact O-N 3.26Å; L454-L458 HydrophobicContact CD1-CD1 4.32Å; L454-L458 HydrophobicContact CD1-CG 4.42Å; L454-L458 HydrophobicContact CG-CD1 4.3Å; L454-L458 WeakPolarHBondContact O-CG 3.43Å; L454-L458 PolarHBondContact O-N 2.68Å
455	W	93.5	Very high	93.1	Very high	39 Å²	39	28.3 Å²	28.3	15%	0.148	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-36.6	-178.3	-56.5	110.2	0	0	0	112	L328 R331 L446 L449 P450 L451 A452 L458 F459	L328-W455 HydrophobicContact CD2-CE3 4.05Å; R331-W455 HydrophobicContact CB-CE3 4.16Å; R331-W455 HydrophobicContact CB-CH2 3.52Å; R331-W455 HydrophobicContact CB-CZ2 3.95Å; R331-W455 HydrophobicContact CB-CZ3 3.63Å; R331-W455 HydrophobicContact CG-CD2 4.03Å; R331-W455 HydrophobicContact CG-CE3 4.14Å; R331-W455 HydrophobicContact CG-CH2 3.7Å; R331-W455 HydrophobicContact CG-CZ2 3.56Å; R331-W455 HydrophobicContact CG-CZ3 3.98Å; L446-W455 HydrophobicContact CD2-CB 3.9Å; L449-W455 HydrophobicContact CB-CG 4.4Å; L449-W455 HydrophobicContact CD1-CB 3.99Å; L449-W455 HydrophobicContact CD1-CD2 4.44Å; L449-W455 HydrophobicContact CD1-CG 3.82Å; P450-W455 VanDerWaalsContact O-CD1 3.28Å; P450-W455 PolarHBondContact O-NE1 3.05Å; L451-W455 VanDerWaalsContact O-CD1 3.29Å; L451-W455 PolarHBondContact O-N 3.29Å; A452-W455 PolarHBondContact O-N 3.04Å; W455-L458 HydrophobicContact CE3-CD1 4.02Å; W455-L458 HydrophobicContact CZ3-CD1 4.14Å; W455-L458 PolarHBondContact O-N 2.94Å; W455-F459 WeakPolarHBondContact O-CB 3.3Å; W455-F459 PolarHBondContact O-N 3.15Å
456	S	95.7	Very high	93.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-48.1	171.9	-168.7	0	0	0	0	112	S199 W206 A452 P453 L454 L458 F459 F460	S199-S456 WeakPolarHBondContact OG-CB 3.24Å; S199-S456 PolarHBondContact OG-OG 3.38Å; W206-S456 WeakPolarHBondContact CZ2-OG 3.26Å; A452-S456 WeakPolarHBondContact O-CB 3.4Å; A452-S456 PolarHBondContact O-N 3Å; P453-S456 PolarHBondContact O-N 3.21Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-S456 PolarHBondContact O-N 3.07Å; S456-L458 PolarHBondContact O-N 3.11Å; S456-F459 PolarHBondContact O-N 3.39Å; S456-F460 VanDerWaalsContact O-CD2 3.24Å; S456-F460 WeakPolarHBondContact O-CD2 3.49Å; S456-F460 PolarHBondContact O-N 3.27Å; S456-F460 WeakPolarHBondContact OG-CD2 3.34Å; S456-F460 WeakPolarHBondContact OG-CE2 3.07Å
457	C	96.2	Very high	93.6	Very high	22 Å²	22	28.2 Å²	28.2	15%	0.149	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-48.4	175.7	-73.8	0	0	0	0	112.1	L196 S199 P453 L454 F459 F461	L196-C457 HydrophobicContact CD1-CB 4.11Å; S199-C457 WeakPolarHBondContact CB-SG 3.49Å; P453-C457 PolarHBondContact O-N 3.45Å; P453-C457 PolarHBondContact O-SG 2.95Å; P453-C457 VanDerWaalsContact O-SG 3.32Å; L454-C457 PolarHBondContact O-N 3.26Å; C457-F459 VanDerWaalsContact C-N 3.31Å; C457-F459 PolarHBondContact O-N 3.31Å; C457-F461 WeakPolarHBondContact O-CB 3.37Å; C457-F461 PolarHBondContact O-N 3.39Å
458	L	94.4	Very high	93.9	Very high	43 Å²	43	28 Å²	28	23%	0.225	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-41	178.2	-64.4	174.2	0	0	0	111.4	L324 L454 W455 S456 T462	L324-L458 HydrophobicContact CD2-CD2 3.67Å; L454-L458 HydrophobicContact CD1-CD1 4.32Å; L454-L458 HydrophobicContact CD1-CG 4.42Å; L454-L458 HydrophobicContact CG-CD1 4.3Å; L454-L458 WeakPolarHBondContact O-CG 3.43Å; L454-L458 PolarHBondContact O-N 2.68Å; W455-L458 HydrophobicContact CE3-CD1 4.02Å; W455-L458 HydrophobicContact CZ3-CD1 4.14Å; W455-L458 PolarHBondContact O-N 2.94Å; S456-L458 PolarHBondContact O-N 3.11Å; L458-T462 WeakPolarHBondContact O-CB 3.42Å; L458-T462 PolarHBondContact O-N 3.38Å; L458-T462 PolarHBondContact O-OG1 3.47Å
459	F	94.4	Very high	94.3	Very high	12 Å²	12	26.8 Å²	26.8	5%	0.053	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-56.4	179.7	-179.2	-101	0	0	0	112	L328 L438 Y442 L446 W455 S456 C457 F461 T462 V463	L328-F459 HydrophobicContact CD1-CB 4.46Å; L328-F459 HydrophobicContact CD1-CD2 4.07Å; L438-F459 HydrophobicContact CD1-CE1 3.81Å; L438-F459 HydrophobicContact CD1-CE2 4.48Å; L438-F459 HydrophobicContact CD1-CZ 3.4Å; L438-F459 VanDerWaalsContact CD1-CZ 3.4Å; L438-F459 HydrophobicContact CG-CE1 4.47Å; L438-F459 HydrophobicContact CG-CZ 4.46Å; Y442-F459 HydrophobicContact CD2-CE1 4.1Å; Y442-F459 AromaticContact CD2-CE2 3.86Å; Y442-F459 HydrophobicContact CD2-CE2 3.86Å; Y442-F459 AromaticContact CD2-CZ 3.27Å; Y442-F459 HydrophobicContact CD2-CZ 3.27Å; Y442-F459 HydrophobicContact CE2-CE2 4.48Å; Y442-F459 HydrophobicContact CE2-CZ 4.08Å; Y442-F459 HydrophobicContact CG-CE1 4.46Å; Y442-F459 HydrophobicContact CG-CE2 4.17Å; Y442-F459 AromaticContact CG-CZ 3.8Å; Y442-F459 HydrophobicContact CG-CZ 3.8Å; L446-F459 HydrophobicContact CD1-CB 3.7Å; L446-F459 HydrophobicContact CD1-CD1 3.91Å; L446-F459 HydrophobicContact CD1-CG 3.78Å; W455-F459 WeakPolarHBondContact O-CB 3.3Å; W455-F459 PolarHBondContact O-N 3.15Å; S456-F459 PolarHBondContact O-N 3.39Å; C457-F459 VanDerWaalsContact C-N 3.31Å; C457-F459 PolarHBondContact O-N 3.31Å; F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F461 PolarHBondContact O-N 3.02Å; F459-T462 VanDerWaalsContact O-CB 3.27Å; F459-T462 WeakPolarHBondContact O-CB 3.34Å; F459-T462 PolarHBondContact O-N 2.79Å; F459-T462 VanDerWaalsContact O-N 3.1Å; F459-V463 HydrophobicContact CD1-CG2 4.4Å; F459-V463 HydrophobicContact CE1-CG2 3.98Å; F459-V463 HydrophobicContact CZ-CG2 4.05Å; F459-V463 WeakPolarHBondContact O-CG2 3.41Å; F459-V463 PolarHBondContact O-N 2.86Å
460	F	96.5	Very high	94.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69	-30.1	-178.5	-72	-66.2	0	0	0	113	A192 Y195 L196 W206 F439 P443 S456 V463 I464	A192-F460 HydrophobicContact CB-CD1 4.29Å; Y195-F460 VanDerWaalsContact CB-CE1 3.46Å; Y195-F460 VanDerWaalsContact CB-CE2 3.49Å; Y195-F460 AromaticContact CD1-CE1 3.92Å; Y195-F460 HydrophobicContact CD1-CE1 3.92Å; Y195-F460 AromaticContact CD1-CE2 3.55Å; Y195-F460 HydrophobicContact CD1-CE2 3.55Å; Y195-F460 AromaticContact CD1-CZ 3.14Å; Y195-F460 HydrophobicContact CD1-CZ 3.14Å; Y195-F460 HydrophobicContact CD2-CE1 4.32Å; Y195-F460 HydrophobicContact CD2-CZ 4.32Å; Y195-F460 AromaticContact CE1-CZ 3.94Å; Y195-F460 HydrophobicContact CE1-CZ 3.94Å; Y195-F460 HydrophobicContact CG-CD1 4.34Å; Y195-F460 AromaticContact CG-CE1 3.66Å; Y195-F460 HydrophobicContact CG-CE1 3.66Å; Y195-F460 AromaticContact CG-CE2 3.87Å; Y195-F460 HydrophobicContact CG-CE2 3.87Å; Y195-F460 AromaticContact CG-CZ 3.36Å; Y195-F460 HydrophobicContact CG-CZ 3.36Å; L196-F460 HydrophobicContact CB-CB 3.98Å; W206-F460 HydrophobicContact CH2-CE2 4.25Å; W206-F460 HydrophobicContact CZ2-CE2 4.12Å; F439-F460 AromaticContact CD1-CE1 3.87Å; F439-F460 HydrophobicContact CD1-CE1 3.87Å; F439-F460 HydrophobicContact CE1-CD1 4.45Å; F439-F460 AromaticContact CE1-CE1 3.95Å; F439-F460 HydrophobicContact CE1-CE1 3.95Å; P443-F460 HydrophobicContact CB-CZ 4.19Å; P443-F460 HydrophobicContact CG-CE1 4.39Å; P443-F460 HydrophobicContact CG-CE2 4.19Å; P443-F460 HydrophobicContact CG-CZ 3.48Å; P443-F460 VanDerWaalsContact CG-CZ 3.48Å; S456-F460 VanDerWaalsContact O-CD2 3.24Å; S456-F460 WeakPolarHBondContact O-CD2 3.49Å; S456-F460 PolarHBondContact O-N 3.27Å; S456-F460 WeakPolarHBondContact OG-CD2 3.34Å; S456-F460 WeakPolarHBondContact OG-CE2 3.07Å; F460-V463 PolarHBondContact O-N 3.05Å; F460-I464 WeakPolarHBondContact O-CD1 3.34Å; F460-I464 VanDerWaalsContact O-CG1 3.26Å; F460-I464 WeakPolarHBondContact O-CG1 3.28Å; F460-I464 PolarHBondContact O-N 3.07Å
461	F	96.2	Very high	95.2	Very high	71 Å²	71	23 Å²	23	31%	0.311	12%	0.12	S	C	.	.	H	α-helix	trans	-63.7	-42.3	169.7	-172	-121.2	0	0	0	111.9	L196 F316 V320 L324 C457 F459 V463 I464 L465	L196-F461 HydrophobicContact CD2-CD2 4.38Å; F316-F461 HydrophobicContact CE1-CZ 4.12Å; F316-F461 HydrophobicContact CZ-CE1 4.4Å; F316-F461 HydrophobicContact CZ-CZ 4.01Å; V320-F461 HydrophobicContact CG1-CE1 4.29Å; L324-F461 HydrophobicContact CD1-CD1 3.64Å; L324-F461 HydrophobicContact CD1-CE1 4.25Å; C457-F461 WeakPolarHBondContact O-CB 3.37Å; C457-F461 PolarHBondContact O-N 3.39Å; F459-F461 VanDerWaalsContact C-N 3.32Å; F459-F461 PolarHBondContact O-N 3.02Å; F461-V463 VanDerWaalsContact C-N 3.33Å; F461-V463 PolarHBondContact O-N 2.99Å; F461-I464 PolarHBondContact O-N 3.12Å; F461-L465 HydrophobicContact CD1-CD1 4.09Å; F461-L465 HydrophobicContact CE1-CD1 3.68Å; F461-L465 HydrophobicContact CE1-CG 4.38Å; F461-L465 HydrophobicContact CE2-CD1 4.49Å; F461-L465 HydrophobicContact CE2-CD2 4.26Å; F461-L465 HydrophobicContact CE2-CG 4.35Å; F461-L465 HydrophobicContact CZ-CD1 3.9Å; F461-L465 HydrophobicContact CZ-CD2 4.14Å; F461-L465 HydrophobicContact CZ-CG 4.21Å; F461-L465 WeakPolarHBondContact O-CG 3.35Å; F461-L465 PolarHBondContact O-N 3.01Å; F461-L465 VanDerWaalsContact O-N 3.07Å
462	T	94.9	Very high	95.5	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-56.9	-47.3	172.6	-53.5	0	0	0	0	111.6	I93 P321 L324 L325 L458 F459 I464 L465 M466	I93-T462 HydrophobicContact CD1-CG2 4.26Å; P321-T462 HydrophobicContact CB-CG2 4.1Å; L324-T462 HydrophobicContact CB-CG2 4.44Å; L324-T462 WeakPolarHBondContact CB-OG1 3.22Å; L324-T462 VanDerWaalsContact CD1-OG1 3.23Å; L324-T462 WeakPolarHBondContact CD1-OG1 3.13Å; L325-T462 HydrophobicContact CD2-CG2 4.23Å; L325-T462 HydrophobicContact CG-CG2 4.11Å; L458-T462 WeakPolarHBondContact O-CB 3.42Å; L458-T462 PolarHBondContact O-N 3.38Å; L458-T462 PolarHBondContact O-OG1 3.47Å; F459-T462 VanDerWaalsContact O-CB 3.27Å; F459-T462 WeakPolarHBondContact O-CB 3.34Å; F459-T462 PolarHBondContact O-N 2.79Å; F459-T462 VanDerWaalsContact O-N 3.1Å; T462-I464 PolarHBondContact O-N 2.93Å; T462-L465 PolarHBondContact O-N 3.21Å; T462-M466 HydrophobicContact CG2-SD 4.08Å; T462-M466 PolarHBondContact O-N 2.77Å
463	V	95.3	Very high	95.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.8	-46.2	178.7	170.9	0	0	0	0	111.3	L90 A192 L438 F459 F460 F461 L465 M466 G467	L90-V463 HydrophobicContact CD2-CB 4.4Å; L90-V463 HydrophobicContact CD2-CG1 3.73Å; L90-V463 WeakPolarHBondContact CD2-O 3.45Å; A192-V463 HydrophobicContact CB-CB 4.17Å; A192-V463 HydrophobicContact CB-CG1 3.48Å; A192-V463 VanDerWaalsContact CB-CG1 3.48Å; L438-V463 HydrophobicContact CD1-CG2 3.58Å; L438-V463 HydrophobicContact CD2-CG1 3.77Å; L438-V463 HydrophobicContact CD2-CG2 4.3Å; L438-V463 HydrophobicContact CG-CG2 4.3Å; F459-V463 HydrophobicContact CD1-CG2 4.4Å; F459-V463 HydrophobicContact CE1-CG2 3.98Å; F459-V463 HydrophobicContact CZ-CG2 4.05Å; F459-V463 WeakPolarHBondContact O-CG2 3.41Å; F459-V463 PolarHBondContact O-N 2.86Å; F460-V463 PolarHBondContact O-N 3.05Å; F461-V463 VanDerWaalsContact C-N 3.33Å; F461-V463 PolarHBondContact O-N 2.99Å; V463-L465 PolarHBondContact O-N 3.02Å; V463-M466 PolarHBondContact O-N 3.47Å; V463-G467 PolarHBondContact O-N 3.29Å
464	I	96.9	Very high	95.7	Very high	13 Å²	13	15.5 Å²	15.5	7%	0.067	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-46.3	178.7	-69.3	161.7	0	0	0	110.8	I189 A192 V193 L196 F460 F461 T462 G467 I468	I189-I464 HydrophobicContact CG2-CG2 4.4Å; A192-I464 HydrophobicContact CB-CD1 4.44Å; A192-I464 HydrophobicContact CB-CG1 3.7Å; V193-I464 HydrophobicContact CG2-CD1 3.88Å; V193-I464 HydrophobicContact CG2-CG1 4.15Å; L196-I464 HydrophobicContact CB-CD1 4.08Å; L196-I464 HydrophobicContact CD2-CD1 3.54Å; L196-I464 HydrophobicContact CG-CD1 4.45Å; F460-I464 WeakPolarHBondContact O-CD1 3.34Å; F460-I464 VanDerWaalsContact O-CG1 3.26Å; F460-I464 WeakPolarHBondContact O-CG1 3.28Å; F460-I464 PolarHBondContact O-N 3.07Å; F461-I464 PolarHBondContact O-N 3.12Å; T462-I464 PolarHBondContact O-N 2.93Å; I464-G467 PolarHBondContact O-N 3.08Å; I464-I468 HydrophobicContact CG2-CD1 3.92Å; I464-I468 WeakPolarHBondContact O-CB 3.3Å; I464-I468 PolarHBondContact O-N 3.45Å
465	L	95.8	Very high	95.9	Very high	9 Å²	9	11.4 Å²	11.4	5%	0.047	6%	0.056	C	C	.	.	H	α-helix	trans	-63	-47.4	-179.5	-65.8	178.9	0	0	0	112	F316 T317 V320 P321 L324 F461 T462 V463 G467 I468 D469	F316-L465 HydrophobicContact CD1-CD2 4.24Å; F316-L465 HydrophobicContact CE1-CD1 4.31Å; F316-L465 HydrophobicContact CE1-CD2 3.82Å; T317-L465 HydrophobicContact CG2-CD2 3.99Å; V320-L465 HydrophobicContact CB-CD1 3.92Å; V320-L465 HydrophobicContact CG1-CD1 3.63Å; P321-L465 HydrophobicContact CG-CB 3.92Å; P321-L465 HydrophobicContact CG-CD1 4.37Å; L324-L465 HydrophobicContact CD1-CD1 4.32Å; F461-L465 HydrophobicContact CD1-CD1 4.09Å; F461-L465 HydrophobicContact CE1-CD1 3.68Å; F461-L465 HydrophobicContact CE1-CG 4.38Å; F461-L465 HydrophobicContact CE2-CD1 4.49Å; F461-L465 HydrophobicContact CE2-CD2 4.26Å; F461-L465 HydrophobicContact CE2-CG 4.35Å; F461-L465 HydrophobicContact CZ-CD1 3.9Å; F461-L465 HydrophobicContact CZ-CD2 4.14Å; F461-L465 HydrophobicContact CZ-CG 4.21Å; F461-L465 WeakPolarHBondContact O-CG 3.35Å; F461-L465 PolarHBondContact O-N 3.01Å; F461-L465 VanDerWaalsContact O-N 3.07Å; T462-L465 PolarHBondContact O-N 3.21Å; V463-L465 PolarHBondContact O-N 3.02Å; L465-G467 VanDerWaalsContact C-N 3.34Å; L465-G467 PolarHBondContact O-N 2.96Å; L465-I468 PolarHBondContact O-N 3Å; L465-D469 PolarHBondContact O-N 2.76Å
466	M	93.6	Very high	96.1	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-67.5	-34.1	178.3	-71.9	-176	56.2	0	0	112.8	V88 G89 L90 I93 P321 L325 T404 T462 V463	V88-M466 HydrophobicContact CG1-CE 3.81Å; G89-M466 VanDerWaalsContact O-CE 3.3Å; G89-M466 WeakPolarHBondContact O-CE 3.32Å; L90-M466 HydrophobicContact CD2-CB 4.34Å; I93-M466 HydrophobicContact CD1-CE 3.68Å; I93-M466 HydrophobicContact CD1-CG 4.49Å; I93-M466 HydrophobicContact CD1-SD 3.25Å; I93-M466 WeakPolarHBondContact CD1-SD 3.25Å; I93-M466 HydrophobicContact CG1-CE 3.74Å; I93-M466 HydrophobicContact CG1-SD 3.89Å; P321-M466 HydrophobicContact CB-CG 3.75Å; P321-M466 HydrophobicContact CB-SD 3.98Å; P321-M466 HydrophobicContact CG-CG 3.79Å; L325-M466 HydrophobicContact CD1-SD 4.37Å; T404-M466 HydrophobicContact CG2-CE 4.19Å; T462-M466 HydrophobicContact CG2-SD 4.08Å; T462-M466 PolarHBondContact O-N 2.77Å; V463-M466 PolarHBondContact O-N 3.47Å
467	G	95.2	Very high	96.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-67.1	-43.7	173.9	0	0	0	0	0	112.2	I189 V463 I464 L465 D469 S470 Q471	I189-G467 WeakPolarHBondContact CD1-O 3.34Å; V463-G467 PolarHBondContact O-N 3.29Å; I464-G467 PolarHBondContact O-N 3.08Å; L465-G467 VanDerWaalsContact C-N 3.34Å; L465-G467 PolarHBondContact O-N 2.96Å; G467-D469 VanDerWaalsContact C-N 3.31Å; G467-D469 PolarHBondContact O-N 2.93Å; G467-S470 PolarHBondContact O-N 3.39Å; G467-Q471 WeakPolarHBondContact O-CB 3.41Å; G467-Q471 PolarHBondContact O-N 3.48Å; G467-Q471 VanDerWaalsContact O-N 3.07Å
468	I	96.5	Very high	96.1	Very high	10 Å²	10	9.1 Å²	9.1	5%	0.051	5%	0.045	C	C	.	.	H	α-helix	trans	-59.5	-40.7	-179.6	-91.3	171.6	0	0	0	111.6	I189 F298 I302 T317 I464 L465 S470 Q471 I472	I189-I468 HydrophobicContact CD1-CG1 4.38Å; F298-I468 HydrophobicContact CB-CD1 4.2Å; I302-I468 HydrophobicContact CD1-CG2 3.81Å; T317-I468 HydrophobicContact CG2-CG2 4.3Å; I464-I468 HydrophobicContact CG2-CD1 3.92Å; I464-I468 WeakPolarHBondContact O-CB 3.3Å; I464-I468 PolarHBondContact O-N 3.45Å; L465-I468 PolarHBondContact O-N 3Å; I468-S470 PolarHBondContact O-N 3.32Å; I468-Q471 WeakPolarHBondContact O-CB 3.3Å; I468-Q471 PolarHBondContact O-N 3.48Å; I468-Q471 VanDerWaalsContact O-N 3.11Å; I468-I472 HydrophobicContact CG2-CG2 4.24Å; I468-I472 WeakPolarHBondContact O-CG1 3.12Å; I468-I472 WeakPolarHBondContact O-CG2 3.37Å; I468-I472 PolarHBondContact O-N 3.37Å
469	D	95.6	Very high	96.2	Very high	3 Å²	3	7.1 Å²	7.1	2%	0.016	4%	0.035	C	C	.	.	H	α-helix	trans	-60.8	-43.9	-178.2	-76.4	-10	0	0	0	112.5	G85 I314 T317 A318 L465 G467 I472 V473	G85-D469 WeakPolarHBondContact O-CB 3.37Å; I314-D469 HydrophobicContact CD1-CB 4.37Å; I314-D469 VanDerWaalsContact CD1-OD1 3.32Å; I314-D469 WeakPolarHBondContact CD1-OD1 3.49Å; T317-D469 WeakPolarHBondContact CB-OD1 3.11Å; T317-D469 PolarHBondContact OG1-OD1 2.96Å; A318-D469 VanDerWaalsContact CA-OD2 3.27Å; A318-D469 WeakPolarHBondContact CA-OD2 3.47Å; A318-D469 WeakPolarHBondContact CB-OD2 3.47Å; A318-D469 PolarHBondContact N-OD2 3.48Å; L465-D469 PolarHBondContact O-N 2.76Å; G467-D469 VanDerWaalsContact C-N 3.31Å; G467-D469 PolarHBondContact O-N 2.93Å; D469-I472 WeakPolarHBondContact O-CG1 3.47Å; D469-V473 WeakPolarHBondContact O-CG2 3.49Å
470	S	95.3	Very high	96.3	Very high	5 Å²	5	6.5 Å²	6.5	4%	0.035	3%	0.032	C	C	.	.	H	α-helix	trans	-66.3	-42.3	172.8	-54.1	0	0	0	0	111.5	F86 G467 I468 I472 V473 L474	F86-S470 PolarHBondContact O-OG 3.47Å; G467-S470 PolarHBondContact O-N 3.39Å; I468-S470 PolarHBondContact O-N 3.32Å; S470-I472 PolarHBondContact O-N 2.88Å; S470-V473 PolarHBondContact O-N 2.86Å; S470-L474 WeakPolarHBondContact O-CG 3.5Å; S470-L474 PolarHBondContact O-N 2.92Å; S470-L474 VanDerWaalsContact O-N 3.08Å
471	Q	97.1	Very high	96.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-61.7	-44.1	-176	-176	62.2	9.5	0	0	113.2	A182 I189 W296 V299 G467 I468 V473 L474 V475	A182-Q471 PolarHBondContact O-NE2 2.74Å; A182-Q471 PolarHBondContact O-OE1 3.22Å; I189-Q471 HydrophobicContact CD1-CB 3.9Å; I189-Q471 HydrophobicContact CD1-CG 4.24Å; W296-Q471 VanDerWaalsContact CH2-NE2 3.29Å; V299-Q471 HydrophobicContact CG1-CG 4.41Å; V299-Q471 HydrophobicContact CG2-CB 4.38Å; V299-Q471 HydrophobicContact CG2-CG 3.47Å; V299-Q471 VanDerWaalsContact CG2-CG 3.47Å; G467-Q471 WeakPolarHBondContact O-CB 3.41Å; G467-Q471 PolarHBondContact O-N 3.48Å; G467-Q471 VanDerWaalsContact O-N 3.07Å; I468-Q471 WeakPolarHBondContact O-CB 3.3Å; I468-Q471 PolarHBondContact O-N 3.48Å; I468-Q471 VanDerWaalsContact O-N 3.11Å; Q471-V473 VanDerWaalsContact C-N 3.26Å; Q471-V473 PolarHBondContact O-N 2.96Å; Q471-L474 PolarHBondContact O-N 2.86Å; Q471-V475 WeakPolarHBondContact O-CG2 3.39Å; Q471-V475 PolarHBondContact O-N 3.22Å; Q471-V475 VanDerWaalsContact O-N 3.12Å
472	I	97.4	Very high	96	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.4	-34	179.7	57	177.1	0	0	0	111.7	I302 L303 M310 I314 I468 D469 S470 E476	I302-I472 HydrophobicContact CB-CG2 4.21Å; I302-I472 HydrophobicContact CD1-CG2 3.97Å; I302-I472 HydrophobicContact CG2-CD1 4.45Å; I302-I472 HydrophobicContact CG2-CG2 3.97Å; L303-I472 HydrophobicContact CD2-CB 4.24Å; L303-I472 HydrophobicContact CG-CB 4.47Å; M310-I472 HydrophobicContact CE-CB 3.93Å; M310-I472 HydrophobicContact CE-CD1 3.71Å; M310-I472 HydrophobicContact CE-CG1 3.5Å; M310-I472 HydrophobicContact CG-CD1 3.8Å; M310-I472 HydrophobicContact CG-CG1 4.43Å; I314-I472 HydrophobicContact CD1-CD1 4.08Å; I468-I472 HydrophobicContact CG2-CG2 4.24Å; I468-I472 WeakPolarHBondContact O-CG1 3.12Å; I468-I472 WeakPolarHBondContact O-CG2 3.37Å; I468-I472 PolarHBondContact O-N 3.37Å; D469-I472 WeakPolarHBondContact O-CG1 3.47Å; S470-I472 PolarHBondContact O-N 2.88Å; I472-E476 WeakPolarHBondContact O-CB 3.28Å; I472-E476 PolarHBondContact O-N 2.87Å
473	V	97.8	Very high	95.8	Very high	1 Å²	1	5 Å²	5	1%	0.006	3%	0.03	C	C	.	.	H	α-helix	trans	-73	-46.4	178.4	179.1	0	0	0	0	110.8	F86 M310 L380 D469 S470 Q471 V475 E476 V477	F86-V473 HydrophobicContact CB-CG2 3.97Å; F86-V473 HydrophobicContact CD1-CG1 4.02Å; F86-V473 HydrophobicContact CD2-CB 3.47Å; F86-V473 VanDerWaalsContact CD2-CB 3.47Å; F86-V473 HydrophobicContact CD2-CG1 3.56Å; F86-V473 HydrophobicContact CD2-CG2 3.79Å; F86-V473 HydrophobicContact CE1-CG1 4.06Å; F86-V473 HydrophobicContact CE2-CB 3.78Å; F86-V473 HydrophobicContact CE2-CG1 3.65Å; F86-V473 HydrophobicContact CG-CB 4.02Å; F86-V473 HydrophobicContact CG-CG1 3.78Å; F86-V473 HydrophobicContact CG-CG2 4Å; F86-V473 HydrophobicContact CZ-CG1 3.9Å; M310-V473 HydrophobicContact CE-CB 4.27Å; M310-V473 HydrophobicContact CE-CG2 3.48Å; M310-V473 VanDerWaalsContact CE-CG2 3.48Å; L380-V473 HydrophobicContact CD1-CG1 3.83Å; L380-V473 HydrophobicContact CD1-CG2 4.01Å; L380-V473 HydrophobicContact CD2-CG1 4.18Å; L380-V473 HydrophobicContact CD2-CG2 4.2Å; L380-V473 HydrophobicContact CG-CG1 3.93Å; D469-V473 WeakPolarHBondContact O-CG2 3.49Å; S470-V473 PolarHBondContact O-N 2.86Å; Q471-V473 VanDerWaalsContact C-N 3.26Å; Q471-V473 PolarHBondContact O-N 2.96Å; V473-V475 VanDerWaalsContact C-N 3.28Å; V473-V475 PolarHBondContact O-N 2.93Å; V473-E476 WeakPolarHBondContact O-CA 3.5Å; V473-E476 PolarHBondContact O-N 2.98Å; V473-V477 WeakPolarHBondContact O-CG2 3.29Å; V473-V477 PolarHBondContact O-N 3.11Å
474	L	96.9	Very high	95.5	Very high	8 Å²	8	5.4 Å²	5.4	4%	0.042	3%	0.032	C	C	.	.	H	α-helix	trans	-57.5	-42.5	178.8	-67.1	166.9	0	0	0	111.5	F86 T181 A182 S470 Q471 V477	F86-L474 HydrophobicContact CE2-CD2 4.27Å; F86-L474 HydrophobicContact CE2-CG 4.28Å; F86-L474 HydrophobicContact CZ-CD2 4.46Å; T181-L474 HydrophobicContact CG2-CD1 3.57Å; T181-L474 HydrophobicContact CG2-CD2 4.29Å; A182-L474 HydrophobicContact CB-CB 3.96Å; S470-L474 WeakPolarHBondContact O-CG 3.5Å; S470-L474 PolarHBondContact O-N 2.92Å; S470-L474 VanDerWaalsContact O-N 3.08Å; Q471-L474 PolarHBondContact O-N 2.86Å; L474-V477 WeakPolarHBondContact O-CB 3.28Å; L474-V477 PolarHBondContact O-N 3.35Å
475	V	97.8	Very high	95	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.012	5%	0.046	C	C	.	.	H	α-helix	trans	-70.9	-35.7	176.5	179.9	0	0	0	0	111.4	A182 W296 V299 L303 Q471 V473 V477 V478 I479 I502	A182-V475 HydrophobicContact CB-CG2 3.99Å; W296-V475 HydrophobicContact CH2-CG2 4.06Å; W296-V475 HydrophobicContact CZ3-CG2 3.81Å; V299-V475 HydrophobicContact CG1-CB 4.3Å; V299-V475 HydrophobicContact CG1-CG1 4.41Å; V299-V475 HydrophobicContact CG1-CG2 4.04Å; L303-V475 HydrophobicContact CD1-CB 3.75Å; L303-V475 HydrophobicContact CD1-CG1 3.63Å; Q471-V475 WeakPolarHBondContact O-CG2 3.39Å; Q471-V475 PolarHBondContact O-N 3.22Å; Q471-V475 VanDerWaalsContact O-N 3.12Å; V473-V475 VanDerWaalsContact C-N 3.28Å; V473-V475 PolarHBondContact O-N 2.93Å; V475-V477 VanDerWaalsContact C-N 3.31Å; V475-V477 PolarHBondContact O-N 3.38Å; V475-V478 WeakPolarHBondContact O-CB 3.21Å; V475-V478 PolarHBondContact O-N 3.4Å; V475-I479 HydrophobicContact CG1-CD1 3.76Å; V475-I479 HydrophobicContact CG1-CG1 4.34Å; V475-I479 WeakPolarHBondContact O-CG1 3.44Å; V475-I479 PolarHBondContact O-N 2.96Å; V475-I502 HydrophobicContact CG1-CG2 4.13Å
476	E	97.8	Very high	94.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-29.8	175.1	-171.4	61.3	-150.2	0	0	112.7	L303 V307 T379 Y383 I472 V473 V478 I479 T480 K483	L303-E476 HydrophobicContact CD2-CB 4.38Å; V307-E476 HydrophobicContact CG1-CG 4.24Å; T379-E476 HydrophobicContact CG2-CG 4.44Å; Y383-E476 HydrophobicContact CE2-CG 4.39Å; Y383-E476 PolarHBondContact OH-OE1 3.2Å; I472-E476 WeakPolarHBondContact O-CB 3.28Å; I472-E476 PolarHBondContact O-N 2.87Å; V473-E476 WeakPolarHBondContact O-CA 3.5Å; V473-E476 PolarHBondContact O-N 2.98Å; E476-V478 VanDerWaalsContact C-N 3.29Å; E476-V478 PolarHBondContact O-N 3.23Å; E476-I479 PolarHBondContact O-N 3.14Å; E476-T480 WeakPolarHBondContact O-CB 3.13Å; E476-T480 PolarHBondContact O-N 3.49Å; E476-T480 PolarHBondContact O-OG1 3.16Å; E476-T480 PolarHBondContact OE1-OG1 2.78Å; E476-K483 IonicContact OE1-NZ 2.94Å
477	V	97.1	Very high	94.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-55.4	-47.8	170.4	175.8	0	0	0	0	110.4	I175 T379 V473 L474 V475 T480 A481	I175-V477 HydrophobicContact CG1-CG1 4.22Å; T379-V477 HydrophobicContact CG2-CG2 4.36Å; V473-V477 WeakPolarHBondContact O-CG2 3.29Å; V473-V477 PolarHBondContact O-N 3.11Å; L474-V477 WeakPolarHBondContact O-CB 3.28Å; L474-V477 PolarHBondContact O-N 3.35Å; V475-V477 VanDerWaalsContact C-N 3.31Å; V475-V477 PolarHBondContact O-N 3.38Å; V477-T480 PolarHBondContact O-N 3Å; V477-A481 WeakPolarHBondContact O-CB 3.28Å; V477-A481 PolarHBondContact O-N 2.95Å
478	V	96	Very high	94.3	Very high	13 Å²	13	22 Å²	22	8%	0.079	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-48.1	-178.7	-170.9	0	0	0	0	110.9	I175 I179 V475 E476 T480 A481 C482 I502	I175-V478 HydrophobicContact CG2-CG2 4.49Å; I179-V478 HydrophobicContact CD1-CG1 3.97Å; I179-V478 HydrophobicContact CD1-CG2 4.1Å; I179-V478 HydrophobicContact CG1-CB 4.34Å; I179-V478 HydrophobicContact CG1-CG1 4.03Å; I179-V478 HydrophobicContact CG1-CG2 3.34Å; V475-V478 WeakPolarHBondContact O-CB 3.21Å; V475-V478 PolarHBondContact O-N 3.4Å; E476-V478 VanDerWaalsContact C-N 3.29Å; E476-V478 PolarHBondContact O-N 3.23Å; V478-T480 VanDerWaalsContact C-N 3.3Å; V478-T480 PolarHBondContact O-N 3.08Å; V478-A481 WeakPolarHBondContact O-CB 3.49Å; V478-A481 PolarHBondContact O-N 3Å; V478-C482 PolarHBondContact O-N 3.32Å; V478-C482 PolarHBondContact O-SG 2.81Å; V478-C482 VanDerWaalsContact O-SG 3.38Å; V478-I502 HydrophobicContact CG1-CD1 4.07Å; V478-I502 HydrophobicContact CG1-CG2 4.43Å
479	I	97	Very high	94.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.6	-44.6	177.9	-69.6	161.3	0	0	0	110.5	L303 V475 E476 A481 C482 K483 V499 I502	L303-I479 HydrophobicContact CB-CD1 4.29Å; L303-I479 HydrophobicContact CD1-CD1 3.86Å; V475-I479 HydrophobicContact CG1-CD1 3.76Å; V475-I479 HydrophobicContact CG1-CG1 4.34Å; V475-I479 WeakPolarHBondContact O-CG1 3.44Å; V475-I479 PolarHBondContact O-N 2.96Å; E476-I479 PolarHBondContact O-N 3.14Å; I479-A481 VanDerWaalsContact C-N 3.34Å; I479-C482 PolarHBondContact O-N 2.99Å; I479-K483 HydrophobicContact CG2-CD 3.81Å; I479-K483 HydrophobicContact CG2-CG 4.33Å; I479-K483 WeakPolarHBondContact O-CB 3.36Å; I479-K483 WeakPolarHBondContact O-CG 3.36Å; I479-K483 PolarHBondContact O-N 3.27Å; I479-V499 HydrophobicContact CD1-CG1 4.37Å; I479-V499 HydrophobicContact CD1-CG2 3.88Å; I479-V499 HydrophobicContact CG1-CG2 4.39Å; I479-I502 HydrophobicContact CB-CD1 4.46Å; I479-I502 HydrophobicContact CG1-CD1 3.68Å
480	T	95.6	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-41	179.3	-56.6	0	0	0	0	110.5	A137 T379 Y383 E476 V477 V478 C482 K483 D484	A137-T480 HydrophobicContact CB-CG2 4.14Å; T379-T480 HydrophobicContact CG2-CG2 4.1Å; T379-T480 WeakPolarHBondContact CG2-OG1 3.33Å; Y383-T480 HydrophobicContact CE2-CG2 4.08Å; Y383-T480 WeakPolarHBondContact CE2-OG1 3.43Å; Y383-T480 PolarHBondContact OH-OG1 3.37Å; E476-T480 WeakPolarHBondContact O-CB 3.13Å; E476-T480 PolarHBondContact O-N 3.49Å; E476-T480 PolarHBondContact O-OG1 3.16Å; E476-T480 PolarHBondContact OE1-OG1 2.78Å; V477-T480 PolarHBondContact O-N 3Å; V478-T480 VanDerWaalsContact C-N 3.3Å; V478-T480 PolarHBondContact O-N 3.08Å; T480-C482 PolarHBondContact O-N 3.16Å; T480-K483 PolarHBondContact O-N 3.49Å; T480-D484 WeakPolarHBondContact O-CB 3.35Å; T480-D484 PolarHBondContact O-N 3.32Å
481	A	92.6	Very high	93.6	Very high	7 Å²	7	28.2 Å²	28.2	6%	0.058	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.6	0	0	0	0	0	112.2	A137 H139 I175 V477 V478 I479 D484 Q485	A137-A481 HydrophobicContact CB-CB 4.32Å; H139-A481 PolarHBondContact CE1-O 3.32Å; I175-A481 HydrophobicContact CD1-CB 3.39Å; I175-A481 HydrophobicContact CG1-CB 3.9Å; V477-A481 WeakPolarHBondContact O-CB 3.28Å; V477-A481 PolarHBondContact O-N 2.95Å; V478-A481 WeakPolarHBondContact O-CB 3.49Å; V478-A481 PolarHBondContact O-N 3Å; I479-A481 VanDerWaalsContact C-N 3.34Å; A481-D484 PolarHBondContact O-N 3.45Å; A481-Q485 WeakPolarHBondContact O-CB 3.06Å; A481-Q485 PolarHBondContact O-N 2.91Å
482	C	93.2	Very high	93.2	Very high	29 Å²	29	32 Å²	32	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-46.1	175.7	-64.8	0	0	0	0	112.2	V478 I479 T480 D484 Q485 W486 L489 T498	V478-C482 PolarHBondContact O-N 3.32Å; V478-C482 PolarHBondContact O-SG 2.81Å; V478-C482 VanDerWaalsContact O-SG 3.38Å; I479-C482 PolarHBondContact O-N 2.99Å; T480-C482 PolarHBondContact O-N 3.16Å; C482-D484 VanDerWaalsContact C-N 3.32Å; C482-D484 PolarHBondContact O-N 3.33Å; C482-Q485 PolarHBondContact O-N 3.23Å; C482-W486 HydrophobicContact CB-CE3 4.41Å; C482-W486 HydrophobicContact CB-CZ3 4.49Å; C482-W486 PolarHBondContact O-N 3.3Å; C482-L489 HydrophobicContact CB-CD1 3.98Å; C482-T498 HydrophobicContact CB-CG2 4.22Å
483	K	91.3	Very high	92.7	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-31	-180	-74.8	173.1	-175.7	164.1	0	113.3	E476 I479 T480 W486 P487 L489 R490	E476-K483 IonicContact OE1-NZ 2.94Å; I479-K483 HydrophobicContact CG2-CD 3.81Å; I479-K483 HydrophobicContact CG2-CG 4.33Å; I479-K483 WeakPolarHBondContact O-CB 3.36Å; I479-K483 WeakPolarHBondContact O-CG 3.36Å; I479-K483 PolarHBondContact O-N 3.27Å; T480-K483 PolarHBondContact O-N 3.49Å; K483-W486 CarbonylContact O-C 3.58Å; K483-P487 WeakPolarHBondContact O-CA 3.43Å; K483-L489 HydrophobicContact CG-CB 4.34Å; K483-R490 HydrophobicContact CB-CG 3.95Å; K483-R490 HydrophobicContact CD-CG 4.47Å; K483-R490 HydrophobicContact CG-CG 4.2Å; K483-R490 PolarHBondContact O-NE 2.98Å; K483-R490 VanDerWaalsContact O-NE 3.16Å
484	D	88.4	Confident	92.5	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.043	23%	0.225	C	C	.	.	H	α-helix	trans	-81.3	-34.7	178.2	-75.6	-0.8	0	0	0	111.3	K70 A137 Q140 T480 A481 C482 R490	K70-D484 IonicContact NZ-OD1 3.55Å; K70-D484 IonicContact NZ-OD2 3.67Å; K70-D484 PolarHBondContact NZ-OD2 3.01Å; A137-D484 HydrophobicContact CB-CB 4.02Å; A137-D484 PolarHBondContact N-OD2 3.5Å; Q140-D484 PolarHBondContact NE2-O 3.27Å; T480-D484 WeakPolarHBondContact O-CB 3.35Å; T480-D484 PolarHBondContact O-N 3.32Å; A481-D484 PolarHBondContact O-N 3.45Å; C482-D484 VanDerWaalsContact C-N 3.32Å; C482-D484 PolarHBondContact O-N 3.33Å; D484-R490 IonicContact OD1-CZ 2.74Å; D484-R490 IonicContact OD1-NE 2.91Å; D484-R490 IonicContact OD1-NH2 3.86Å; D484-R490 PolarHBondContact OD1-NH2 3.2Å
485	Q	87.3	Confident	92.3	Very high	78 Å²	78	46.9 Å²	46.9	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-70.6	-41.5	173.8	-174.5	60	23.1	0	0	112.5	H139 A481 C482	H139-Q485 PolarHBondContact NE2-OE1 3.43Å; A481-Q485 WeakPolarHBondContact O-CB 3.06Å; A481-Q485 PolarHBondContact O-N 2.91Å; C482-Q485 PolarHBondContact O-N 3.23Å
486	W	90.9	Very high	92.2	Very high	150 Å²	150	49.5 Å²	49.5	57%	0.568	24%	0.244	S	C	*	.			trans	-124.5	86.5	178.8	-58.1	-73.9	0	0	0	110.3	C482 K483 M488 L489	C482-W486 HydrophobicContact CB-CE3 4.41Å; C482-W486 HydrophobicContact CB-CZ3 4.49Å; C482-W486 PolarHBondContact O-N 3.3Å; K483-W486 CarbonylContact O-C 3.58Å; W486-M488 PolarHBondContact O-N 3.38Å; W486-L489 HydrophobicContact CB-CD1 4Å; W486-L489 HydrophobicContact CB-CG 3.97Å; W486-L489 HydrophobicContact CE3-CD1 4.13Å; W486-L489 WeakPolarHBondContact O-CB 3.42Å; W486-L489 WeakPolarHBondContact O-CG 3.44Å; W486-L489 PolarHBondContact O-N 3.47Å
487	P	88.6	Confident	92.1	Very high	46 Å²	46	52.6 Å²	52.6	30%	0.299	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-56.9	-20.9	-176.4	-28.2	36	0	0	0	115.4	V67 K483 L489 R490	V67-P487 HydrophobicContact CG1-CB 3.52Å; K483-P487 WeakPolarHBondContact O-CA 3.43Å; P487-L489 PolarHBondContact O-N 2.97Å; P487-R490 WeakPolarHBondContact O-CB 3.46Å; P487-R490 PolarHBondContact O-N 3.48Å; P487-R490 VanDerWaalsContact O-N 3.12Å
488	M	90.8	Very high	92.1	Very high	99 Å²	99	53.3 Å²	53.3	49%	0.488	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.8	-32.7	171.2	-174.9	-178.3	73.2	0	0	112.4	W486 R490 Q491 W494	W486-M488 PolarHBondContact O-N 3.38Å; M488-R490 PolarHBondContact O-N 3.07Å; M488-R490 VanDerWaalsContact O-N 3.12Å; M488-Q491 WeakPolarHBondContact O-CB 3.36Å; M488-Q491 WeakPolarHBondContact O-CG 3.27Å; M488-Q491 PolarHBondContact O-N 2.85Å; M488-Q491 VanDerWaalsContact O-N 3.12Å; M488-W494 HydrophobicContact CE-CD2 4.33Å; M488-W494 HydrophobicContact CE-CZ2 4.33Å
489	L	92	Very high	92.2	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.131	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-66.8	-10.8	179.6	-59.2	-177.2	0	0	0	113.7	C482 K483 W486 P487 Q491 W494 K495 T498	C482-L489 HydrophobicContact CB-CD1 3.98Å; K483-L489 HydrophobicContact CG-CB 4.34Å; W486-L489 HydrophobicContact CB-CD1 4Å; W486-L489 HydrophobicContact CB-CG 3.97Å; W486-L489 HydrophobicContact CE3-CD1 4.13Å; W486-L489 WeakPolarHBondContact O-CB 3.42Å; W486-L489 WeakPolarHBondContact O-CG 3.44Å; W486-L489 PolarHBondContact O-N 3.47Å; P487-L489 PolarHBondContact O-N 2.97Å; L489-Q491 VanDerWaalsContact C-N 3.33Å; L489-W494 HydrophobicContact CD2-CB 3.97Å; L489-W494 HydrophobicContact CD2-CG 4.45Å; L489-K495 VanDerWaalsContact O-CA 3.23Å; L489-K495 WeakPolarHBondContact O-CA 3.28Å; L489-K495 PolarHBondContact O-N 2.61Å; L489-T498 HydrophobicContact CD1-CG2 4.32Å
490	R	91.5	Very high	92.2	Very high	46 Å²	46	55.9 Å²	55.9	17%	0.174	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-77.7	-19.4	174.4	-60.8	175.9	-174.4	166.3	-1.8	112.9	T68 K483 D484 P487 M488	T68-R490 VanDerWaalsContact O-CD 3.28Å; T68-R490 WeakPolarHBondContact O-CD 3.42Å; K483-R490 HydrophobicContact CB-CG 3.95Å; K483-R490 HydrophobicContact CD-CG 4.47Å; K483-R490 HydrophobicContact CG-CG 4.2Å; K483-R490 PolarHBondContact O-NE 2.98Å; K483-R490 VanDerWaalsContact O-NE 3.16Å; D484-R490 IonicContact OD1-CZ 2.74Å; D484-R490 IonicContact OD1-NE 2.91Å; D484-R490 IonicContact OD1-NH2 3.86Å; D484-R490 PolarHBondContact OD1-NH2 3.2Å; P487-R490 WeakPolarHBondContact O-CB 3.46Å; P487-R490 PolarHBondContact O-N 3.48Å; P487-R490 VanDerWaalsContact O-N 3.12Å; M488-R490 PolarHBondContact O-N 3.07Å; M488-R490 VanDerWaalsContact O-N 3.12Å
491	Q	89.9	Confident	92.3	Very high	76 Å²	76	59.4 Å²	59.4	36%	0.355	31%	0.309	S	S	.	.	S	Bend	trans	-64.9	143.5	176.2	-64.6	-179.1	-3	0	0	110.3	G66 M488 L489 K493 W494 K495	G66-Q491 PolarHBondContact O-NE2 2.87Å; M488-Q491 WeakPolarHBondContact O-CB 3.36Å; M488-Q491 WeakPolarHBondContact O-CG 3.27Å; M488-Q491 PolarHBondContact O-N 2.85Å; M488-Q491 VanDerWaalsContact O-N 3.12Å; L489-Q491 VanDerWaalsContact C-N 3.33Å; Q491-K493 VanDerWaalsContact C-N 3.27Å; Q491-K493 PolarHBondContact O-N 3.01Å; Q491-W494 PolarHBondContact O-N 3.4Å; Q491-K495 WeakPolarHBondContact O-CB 3.5Å; Q491-K495 PolarHBondContact O-N 2.98Å
492	A	87.3	Confident	92.6	Very high	81 Å²	81	60.3 Å²	60.3	67%	0.669	31%	0.313	S	S	*	.	H	α-helix	trans	-50.5	-41.7	-170.5	0	0	0	0	0	114.4
493	K	88	Confident	92.8	Very high	178 Å²	178	59.3 Å²	59.3	77%	0.774	31%	0.306	S	S	*	.	H	α-helix	trans	-62.5	-52.4	178.8	-63.9	-177.5	179.2	-178.5	0	111.7	Q491 C497	Q491-K493 VanDerWaalsContact C-N 3.27Å; Q491-K493 PolarHBondContact O-N 3.01Å; K493-C497 PolarHBondContact O-SG 3.2Å; K493-C497 VanDerWaalsContact O-SG 3.4Å
494	W	93	Very high	93.2	Very high	119 Å²	119	61.4 Å²	61.4	45%	0.451	32%	0.324	S	S	.	.	H	α-helix	trans	-74.6	-28.5	-177	-65.7	113.9	0	0	0	113.3	M488 L489 Q491 V496 C497 T498	M488-W494 HydrophobicContact CE-CD2 4.33Å; M488-W494 HydrophobicContact CE-CZ2 4.33Å; L489-W494 HydrophobicContact CD2-CB 3.97Å; L489-W494 HydrophobicContact CD2-CG 4.45Å; Q491-W494 PolarHBondContact O-N 3.4Å; W494-V496 PolarHBondContact O-N 3.44Å; W494-C497 PolarHBondContact O-N 3.45Å; W494-T498 WeakPolarHBondContact O-CB 2.95Å; W494-T498 PolarHBondContact O-N 2.95Å; W494-T498 PolarHBondContact O-OG1 2.81Å
495	K	92.7	Very high	93.6	Very high	23 Å²	23	63.3 Å²	63.3	10%	0.1	34%	0.341	C	S	.	.	H	α-helix	trans	-57.3	-50.7	176.7	174.3	174.4	168.7	172.5	0	111.1	E71 K305 L489 Q491 T498 V499	E71-K495 WeakPolarHBondContact OE1-CE 3.09Å; E71-K495 IonicContact OE1-NZ 2.69Å; E71-K495 PolarHBondContact OE1-NZ 3.41Å; E71-K495 IonicContact OE2-NZ 3.66Å; E71-K495 PolarHBondContact OE2-NZ 3.02Å; K305-K495 WeakPolarHBondContact O-CE 3.26Å; K305-K495 PolarHBondContact O-NZ 2.91Å; L489-K495 VanDerWaalsContact O-CA 3.23Å; L489-K495 WeakPolarHBondContact O-CA 3.28Å; L489-K495 PolarHBondContact O-N 2.61Å; Q491-K495 WeakPolarHBondContact O-CB 3.5Å; Q491-K495 PolarHBondContact O-N 2.98Å; K495-T498 PolarHBondContact O-N 3.24Å; K495-V499 WeakPolarHBondContact O-CG2 3.21Å; K495-V499 PolarHBondContact O-N 3.42Å
496	V	95.5	Very high	94.2	Very high	58 Å²	58	60.1 Å²	60.1	35%	0.352	33%	0.327	S	S	.	.	H	α-helix	trans	-63.7	-47.2	179.1	176.1	0	0	0	0	110.7	I304 W494 T498 V499 V500	I304-V496 HydrophobicContact CD1-CG1 3.98Å; I304-V496 HydrophobicContact CG1-CB 4.46Å; I304-V496 HydrophobicContact CG1-CG1 3.9Å; I304-V496 HydrophobicContact CG1-CG2 4.11Å; W494-V496 PolarHBondContact O-N 3.44Å; V496-T498 VanDerWaalsContact C-N 3.28Å; V496-T498 PolarHBondContact O-N 2.68Å; V496-V499 PolarHBondContact O-N 3.26Å; V496-V500 HydrophobicContact CG1-CG2 4.26Å; V496-V500 WeakPolarHBondContact O-CG2 3.15Å; V496-V500 PolarHBondContact O-N 2.89Å
497	C	96.2	Very high	94.5	Very high	65 Å²	65	55.1 Å²	55.1	44%	0.439	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-39.2	178	-64.6	0	0	0	0	112.6	K493 W494 S501	K493-C497 PolarHBondContact O-SG 3.2Å; K493-C497 VanDerWaalsContact O-SG 3.4Å; W494-C497 PolarHBondContact O-N 3.45Å; C497-S501 VanDerWaalsContact O-CB 3.24Å; C497-S501 WeakPolarHBondContact O-CB 3.24Å; C497-S501 PolarHBondContact O-N 3.05Å; C497-S501 PolarHBondContact O-OG 3.48Å
498	T	96.6	Very high	95	Very high	14 Å²	14	58.4 Å²	58.4	9%	0.086	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-48.4	178.9	-56.3	0	0	0	0	111.1	C482 L489 W494 K495 V496 S501 I502	C482-T498 HydrophobicContact CB-CG2 4.22Å; L489-T498 HydrophobicContact CD1-CG2 4.32Å; W494-T498 WeakPolarHBondContact O-CB 2.95Å; W494-T498 PolarHBondContact O-N 2.95Å; W494-T498 PolarHBondContact O-OG1 2.81Å; K495-T498 PolarHBondContact O-N 3.24Å; V496-T498 VanDerWaalsContact C-N 3.28Å; V496-T498 PolarHBondContact O-N 2.68Å; T498-S501 PolarHBondContact O-N 3.34Å; T498-I502 HydrophobicContact CG2-CD1 3.86Å; T498-I502 WeakPolarHBondContact O-CG1 3.4Å; T498-I502 PolarHBondContact O-N 3.45Å
499	V	97.5	Very high	95.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-49.1	179.1	178.4	0	0	0	0	110.9	L303 I479 K495 V496 S501 I502 C503	L303-V499 HydrophobicContact CB-CG1 3.96Å; I479-V499 HydrophobicContact CD1-CG1 4.37Å; I479-V499 HydrophobicContact CD1-CG2 3.88Å; I479-V499 HydrophobicContact CG1-CG2 4.39Å; K495-V499 WeakPolarHBondContact O-CG2 3.21Å; K495-V499 PolarHBondContact O-N 3.42Å; V496-V499 PolarHBondContact O-N 3.26Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.4Å; V499-I502 PolarHBondContact O-N 3.48Å; V499-C503 PolarHBondContact O-N 3.13Å; V499-C503 PolarHBondContact O-SG 3.15Å
500	V	97.8	Very high	95.6	Very high	67 Å²	67	57 Å²	57	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-42.7	-179.8	173.2	0	0	0	0	111	V496 C503 A504	V496-V500 HydrophobicContact CG1-CG2 4.26Å; V496-V500 WeakPolarHBondContact O-CG2 3.15Å; V496-V500 PolarHBondContact O-N 2.89Å; V500-C503 PolarHBondContact O-N 3.39Å; V500-A504 WeakPolarHBondContact O-CB 3.25Å; V500-A504 PolarHBondContact O-N 2.96Å
501	S	97.8	Very high	95.9	Very high	74 Å²	74	56.5 Å²	56.5	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-42.6	-179.4	-56.3	0	0	0	0	112	C497 T498 V499 A504 A505	C497-S501 VanDerWaalsContact O-CB 3.24Å; C497-S501 WeakPolarHBondContact O-CB 3.24Å; C497-S501 PolarHBondContact O-N 3.05Å; C497-S501 PolarHBondContact O-OG 3.48Å; T498-S501 PolarHBondContact O-N 3.34Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.4Å; S501-A504 PolarHBondContact O-N 2.56Å; S501-A505 VanDerWaalsContact O-CB 3.27Å; S501-A505 WeakPolarHBondContact O-CB 3.21Å; S501-A505 PolarHBondContact O-N 3.27Å
502	I	97.9	Very high	96.2	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.138	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-47.4	176.3	-70	167.7	0	0	0	110	V475 V478 I479 T498 V499 A504 A505 S506	V475-I502 HydrophobicContact CG1-CG2 4.13Å; V478-I502 HydrophobicContact CG1-CD1 4.07Å; V478-I502 HydrophobicContact CG1-CG2 4.43Å; I479-I502 HydrophobicContact CB-CD1 4.46Å; I479-I502 HydrophobicContact CG1-CD1 3.68Å; T498-I502 HydrophobicContact CG2-CD1 3.86Å; T498-I502 WeakPolarHBondContact O-CG1 3.4Å; T498-I502 PolarHBondContact O-N 3.45Å; V499-I502 PolarHBondContact O-N 3.48Å; I502-A504 PolarHBondContact O-N 3.09Å; I502-A505 PolarHBondContact O-N 2.87Å; I502-S506 VanDerWaalsContact O-CB 3.31Å; I502-S506 WeakPolarHBondContact O-CB 3.44Å; I502-S506 PolarHBondContact O-N 3.35Å; I502-S506 PolarHBondContact O-OG 2.91Å
503	C	98.5	Very high	96.7	Very high	7 Å²	7	53 Å²	53	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-41.3	179.3	-63.4	0	0	0	0	112.2	W296 C300 V499 V500 S506 Y507	W296-C503 HydrophobicContact CE3-CB 3.83Å; W296-C503 HydrophobicContact CZ3-CB 4.41Å; C300-C503 HydrophobicContact CB-CB 4.1Å; V499-C503 PolarHBondContact O-N 3.13Å; V499-C503 PolarHBondContact O-SG 3.15Å; V500-C503 PolarHBondContact O-N 3.39Å; C503-S506 PolarHBondContact O-N 3.25Å; C503-Y507 WeakPolarHBondContact O-CB 3.39Å; C503-Y507 PolarHBondContact O-N 2.97Å
504	A	98.4	Very high	97.1	Very high	48 Å²	48	44.6 Å²	44.6	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-43.9	178.7	0	0	0	0	0	112.1	V500 S501 I502 Y507 L508	V500-A504 WeakPolarHBondContact O-CB 3.25Å; V500-A504 PolarHBondContact O-N 2.96Å; S501-A504 PolarHBondContact O-N 2.56Å; I502-A504 PolarHBondContact O-N 3.09Å; A504-Y507 WeakPolarHBondContact O-CB 3.34Å; A504-Y507 PolarHBondContact O-N 3.05Å; A504-L508 WeakPolarHBondContact O-CG 2.88Å; A504-L508 PolarHBondContact O-N 3.11Å
505	A	98.3	Very high	97.4	Very high	48 Å²	48	39.8 Å²	39.8	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-44.2	175.1	0	0	0	0	0	111.4	S501 I502 Y507 L508 I509	S501-A505 VanDerWaalsContact O-CB 3.27Å; S501-A505 WeakPolarHBondContact O-CB 3.21Å; S501-A505 PolarHBondContact O-N 3.27Å; I502-A505 PolarHBondContact O-N 2.87Å; A505-Y507 VanDerWaalsContact C-N 3.33Å; A505-Y507 PolarHBondContact O-N 3.47Å; A505-L508 PolarHBondContact O-N 3Å; A505-I509 WeakPolarHBondContact O-CG1 3.09Å; A505-I509 PolarHBondContact O-N 2.93Å
506	S	98.2	Very high	97.6	Very high	12 Å²	12	41 Å²	41	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-32.4	177.3	-62.2	0	0	0	0	113	L183 I502 C503 G510	L183-S506 WeakPolarHBondContact CD2-O 3.33Å; I502-S506 VanDerWaalsContact O-CB 3.31Å; I502-S506 WeakPolarHBondContact O-CB 3.44Å; I502-S506 PolarHBondContact O-N 3.35Å; I502-S506 PolarHBondContact O-OG 2.91Å; C503-S506 PolarHBondContact O-N 3.25Å; S506-G510 WeakPolarHBondContact O-CA 3.28Å; S506-G510 PolarHBondContact O-N 2.82Å
507	Y	98.6	Very high	97.6	Very high	45 Å²	45	38.2 Å²	38.2	18%	0.176	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-51.2	169.8	168.6	-109.1	0	0	0	111.4	A289 L292 L293 W296 C503 A504 A505 I509 G510 L511	A289-Y507 WeakPolarHBondContact O-CE2 3.4Å; A289-Y507 PolarHBondContact O-OH 3.29Å; L292-Y507 HydrophobicContact CB-CE2 4.45Å; L292-Y507 HydrophobicContact CD2-CD2 4.1Å; L292-Y507 HydrophobicContact CD2-CE2 4.34Å; L292-Y507 HydrophobicContact CG-CD2 4.02Å; L292-Y507 HydrophobicContact CG-CE2 4.31Å; L293-Y507 HydrophobicContact CB-CD2 4.3Å; L293-Y507 HydrophobicContact CB-CE2 3.63Å; L293-Y507 HydrophobicContact CD1-CD1 4.37Å; L293-Y507 HydrophobicContact CD1-CD2 4.31Å; L293-Y507 HydrophobicContact CD1-CE1 4.15Å; L293-Y507 HydrophobicContact CD1-CE2 4.11Å; L293-Y507 HydrophobicContact CD1-CG 4.43Å; L293-Y507 HydrophobicContact CG-CE2 4.45Å; W296-Y507 AromaticContact CD1-CD2 3.91Å; C503-Y507 WeakPolarHBondContact O-CB 3.39Å; C503-Y507 PolarHBondContact O-N 2.97Å; A504-Y507 WeakPolarHBondContact O-CB 3.34Å; A504-Y507 PolarHBondContact O-N 3.05Å; A505-Y507 VanDerWaalsContact C-N 3.33Å; A505-Y507 PolarHBondContact O-N 3.47Å; Y507-I509 VanDerWaalsContact C-N 3.33Å; Y507-I509 PolarHBondContact O-N 2.83Å; Y507-G510 CarbonylContact O-C 3.53Å; Y507-G510 WeakPolarHBondContact O-CA 3.12Å; Y507-G510 PolarHBondContact O-N 3Å; Y507-L511 HydrophobicContact CE1-CD1 4.19Å; Y507-L511 HydrophobicContact CE1-CD2 4.47Å; Y507-L511 HydrophobicContact CE1-CG 4.45Å; Y507-L511 HydrophobicContact CE2-CD2 3.8Å; Y507-L511 HydrophobicContact CE2-CG 4.34Å; Y507-L511 WeakPolarHBondContact O-CG 3.29Å; Y507-L511 PolarHBondContact O-N 3.33Å
508	L	98.5	Very high	97.6	Very high	115 Å²	115	35.1 Å²	35.1	60%	0.602	21%	0.205	S	C	*	.	H	α-helix	trans	-61	-40.7	-178.7	-68.6	173.3	0	0	0	112.5	A504 A505 L511	A504-L508 WeakPolarHBondContact O-CG 2.88Å; A504-L508 PolarHBondContact O-N 3.11Å; A505-L508 PolarHBondContact O-N 3Å; L508-L511 HydrophobicContact CD2-CD1 4.33Å
509	I	97.3	Very high	97.5	Very high	94 Å²	94	34.6 Å²	34.6	48%	0.482	20%	0.202	S	C	.	.	H	α-helix	trans	-68.8	-40.9	174	-61.8	166	0	0	0	110.2	L183 A505 Y507 L511 L512	L183-I509 HydrophobicContact CD1-CB 4.45Å; L183-I509 HydrophobicContact CD1-CG2 3.66Å; L183-I509 HydrophobicContact CD2-CB 3.93Å; L183-I509 HydrophobicContact CD2-CG2 3.98Å; L183-I509 HydrophobicContact CG-CG2 4.48Å; A505-I509 WeakPolarHBondContact O-CG1 3.09Å; A505-I509 PolarHBondContact O-N 2.93Å; Y507-I509 VanDerWaalsContact C-N 3.33Å; Y507-I509 PolarHBondContact O-N 2.83Å; I509-L511 PolarHBondContact O-N 3.37Å; I509-L512 VanDerWaalsContact O-CB 3.24Å; I509-L512 WeakPolarHBondContact O-CB 3.08Å; I509-L512 PolarHBondContact O-N 3.25Å; I509-L512 VanDerWaalsContact O-N 3.13Å
510	G	97.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-26.8	179	0	0	0	0	0	114.2	S506 Y507 L512 M513	S506-G510 WeakPolarHBondContact O-CA 3.28Å; S506-G510 PolarHBondContact O-N 2.82Å; Y507-G510 CarbonylContact O-C 3.53Å; Y507-G510 WeakPolarHBondContact O-CA 3.12Å; Y507-G510 PolarHBondContact O-N 3Å; G510-L512 PolarHBondContact O-N 2.9Å; G510-L512 VanDerWaalsContact O-N 3.15Å; G510-M513 PolarHBondContact O-N 2.99Å
511	L	98.2	Very high	97.2	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.188	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.4	174.3	-69.9	177.9	0	0	0	112.9	L284 A289 Y507 L508 I509 M513 C514	L284-L511 HydrophobicContact CD1-CB 4.27Å; L284-L511 HydrophobicContact CD1-CD2 4.35Å; L284-L511 VanDerWaalsContact CD1-O 3.31Å; L284-L511 WeakPolarHBondContact CD1-O 3.12Å; A289-L511 HydrophobicContact CB-CD2 3.67Å; Y507-L511 HydrophobicContact CE1-CD1 4.19Å; Y507-L511 HydrophobicContact CE1-CD2 4.47Å; Y507-L511 HydrophobicContact CE1-CG 4.45Å; Y507-L511 HydrophobicContact CE2-CD2 3.8Å; Y507-L511 HydrophobicContact CE2-CG 4.34Å; Y507-L511 WeakPolarHBondContact O-CG 3.29Å; Y507-L511 PolarHBondContact O-N 3.33Å; L508-L511 HydrophobicContact CD2-CD1 4.33Å; I509-L511 PolarHBondContact O-N 3.37Å; L511-M513 PolarHBondContact O-N 3.43Å; L511-C514 WeakPolarHBondContact O-CB 3.3Å; L511-C514 PolarHBondContact O-N 3.12Å
512	L	96.9	Very high	97	Very high	78 Å²	78	29.9 Å²	29.9	41%	0.408	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-57.1	-36.5	174.3	-175.8	65.7	0	0	0	111.7	L281 I509 G510 C514 T515 I521	L281-L512 HydrophobicContact CD1-CD1 4.25Å; L281-L512 HydrophobicContact CD2-CD1 3.55Å; I509-L512 VanDerWaalsContact O-CB 3.24Å; I509-L512 WeakPolarHBondContact O-CB 3.08Å; I509-L512 PolarHBondContact O-N 3.25Å; I509-L512 VanDerWaalsContact O-N 3.13Å; G510-L512 PolarHBondContact O-N 2.9Å; G510-L512 VanDerWaalsContact O-N 3.15Å; L512-C514 VanDerWaalsContact C-N 3.31Å; L512-T515 WeakPolarHBondContact O-CG2 3.22Å; L512-T515 PolarHBondContact O-N 3.36Å; L512-T515 PolarHBondContact O-OG1 2.82Å; L512-I521 HydrophobicContact CD1-CD1 4.07Å; L512-I521 HydrophobicContact CD2-CD1 4.03Å; L512-I521 HydrophobicContact CD2-CG2 4.39Å; L512-I521 HydrophobicContact CG-CD1 3.67Å
513	M	96.9	Very high	96.7	Very high	6 Å²	6	30 Å²	30	3%	0.03	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-85.7	0.4	178.1	-66.2	172.5	-73	0	0	113.6	L183 V187 G510 L511 G518 I521 L522 L525	L183-M513 HydrophobicContact CB-CE 3.73Å; V187-M513 HydrophobicContact CG1-CB 4.27Å; V187-M513 HydrophobicContact CG2-CB 3.87Å; V187-M513 HydrophobicContact CG2-CE 3.86Å; V187-M513 HydrophobicContact CG2-SD 4.33Å; G510-M513 PolarHBondContact O-N 2.99Å; L511-M513 PolarHBondContact O-N 3.43Å; M513-G518 WeakPolarHBondContact O-CA 3.41Å; M513-I521 HydrophobicContact CG-CB 4.19Å; M513-I521 HydrophobicContact CG-CG2 3.81Å; M513-L522 HydrophobicContact SD-CB 4.31Å; M513-L525 HydrophobicContact SD-CD1 3.87Å
514	C	97.8	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-96.4	6	168.6	-62.8	0	0	0	0	112.6	L284 S285 L288 L292 L511 L512	L284-C514 HydrophobicContact CD1-CB 3.75Å; S285-C514 WeakPolarHBondContact CB-O 3.13Å; S285-C514 PolarHBondContact N-O 3.25Å; L288-C514 HydrophobicContact CB-CB 4.27Å; L292-C514 VanDerWaalsContact CD2-SG 3.59Å; L511-C514 WeakPolarHBondContact O-CB 3.3Å; L511-C514 PolarHBondContact O-N 3.12Å; L512-C514 VanDerWaalsContact C-N 3.31Å
515	T	97.7	Very high	96	Very high	18 Å²	18	28.7 Å²	28.7	11%	0.11	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-85.8	173	174.7	66.8	0	0	0	0	111.5	L281 S283 L284 L512 A517 G518	L281-T515 VanDerWaalsContact O-CB 3.25Å; L281-T515 WeakPolarHBondContact O-CB 3.28Å; L281-T515 PolarHBondContact O-OG1 2.92Å; S283-T515 VanDerWaalsContact O-CA 3.31Å; S283-T515 WeakPolarHBondContact O-CA 3.21Å; L284-T515 HydrophobicContact CD1-CG2 4.14Å; L512-T515 WeakPolarHBondContact O-CG2 3.22Å; L512-T515 PolarHBondContact O-N 3.36Å; L512-T515 PolarHBondContact O-OG1 2.82Å; T515-A517 PolarHBondContact O-N 3.32Å; T515-G518 WeakPolarHBondContact O-CA 3.47Å; T515-G518 PolarHBondContact O-N 3.37Å
516	Q	97	Very high	95.6	Very high	49 Å²	49	28.4 Å²	28.4	23%	0.229	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.3	176.8	-56.7	-170.5	-51.2	0	0	112.9	N273 G275 L281 G282 S283 G518	N273-Q516 PolarHBondContact ND2-NE2 3.42Å; N273-Q516 WeakPolarHBondContact O-CA 3.46Å; N273-Q516 WeakPolarHBondContact O-CB 3.43Å; N273-Q516 WeakPolarHBondContact O-CG 3.19Å; G275-Q516 PolarHBondContact N-O 2.91Å; L281-Q516 PolarHBondContact O-N 2.99Å; L281-Q516 VanDerWaalsContact O-N 3.16Å; G282-Q516 VanDerWaalsContact CA-OE1 3.28Å; S283-Q516 PolarHBondContact O-N 3.47Å; S283-Q516 VanDerWaalsContact O-N 3.16Å; Q516-G518 VanDerWaalsContact C-N 3.27Å
517	A	95.9	Very high	95	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.5	172.1	0	0	0	0	0	113.9	L281 T515 A519 Y520 I521	L281-A517 HydrophobicContact CD2-CB 4.25Å; L281-A517 PolarHBondContact O-N 2.85Å; L281-A517 VanDerWaalsContact O-N 3.17Å; T515-A517 PolarHBondContact O-N 3.32Å; A517-A519 VanDerWaalsContact C-N 3.33Å; A517-A519 PolarHBondContact O-N 3.49Å; A517-Y520 WeakPolarHBondContact O-CB 3.31Å; A517-Y520 PolarHBondContact O-N 2.87Å; A517-Y520 VanDerWaalsContact O-N 3.07Å; A517-I521 HydrophobicContact CB-CD1 4.4Å; A517-I521 PolarHBondContact O-N 2.91Å
518	G	95.8	Very high	94.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.2	-35.4	-164	0	0	0	0	0	114.5	M513 T515 Q516 I521 L522	M513-G518 WeakPolarHBondContact O-CA 3.41Å; T515-G518 WeakPolarHBondContact O-CA 3.47Å; T515-G518 PolarHBondContact O-N 3.37Å; Q516-G518 VanDerWaalsContact C-N 3.27Å; G518-I521 PolarHBondContact O-N 2.94Å; G518-L522 WeakPolarHBondContact O-CB 3.42Å; G518-L522 PolarHBondContact O-N 3.24Å
519	A	94.2	Very high	93.7	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	12%	0.115	C	C	.	.	H	α-helix	trans	-65.2	-38	176.3	0	0	0	0	0	112.4	L272 L274 A517 L522 N523 Y606	L272-A519 HydrophobicContact CD1-CB 3.99Å; L274-A519 HydrophobicContact CD1-CB 3.68Å; A517-A519 VanDerWaalsContact C-N 3.33Å; A517-A519 PolarHBondContact O-N 3.49Å; A519-L522 PolarHBondContact O-N 3.25Å; A519-N523 WeakPolarHBondContact O-CB 3.34Å; A519-N523 PolarHBondContact O-N 3.49Å; A519-Y606 HydrophobicContact CB-CE2 4.07Å
520	Y	94.7	Very high	92.8	Very high	16 Å²	16	17.4 Å²	17.4	6%	0.063	9%	0.092	C	C	.	.	H	α-helix	trans	-66.2	-41.9	175.7	-56.6	-69	0	0	0	111.6	L274 G275 A517 N523 L524 Y606 Y609 Y611	L274-Y520 HydrophobicContact CD1-CD2 4.36Å; L274-Y520 HydrophobicContact CD1-CE2 3.75Å; L274-Y520 HydrophobicContact CG-CE2 4.23Å; G275-Y520 WeakPolarHBondContact O-CE2 3.13Å; G275-Y520 PolarHBondContact O-OH 3.47Å; A517-Y520 WeakPolarHBondContact O-CB 3.31Å; A517-Y520 PolarHBondContact O-N 2.87Å; A517-Y520 VanDerWaalsContact O-N 3.07Å; Y520-N523 PolarHBondContact O-N 3.48Å; Y520-L524 WeakPolarHBondContact O-CB 3.39Å; Y520-L524 PolarHBondContact O-N 3.24Å; Y520-Y606 HydrophobicContact CD1-CD1 4.09Å; Y520-Y606 HydrophobicContact CD1-CG 4Å; Y520-Y606 AromaticContact CE1-CD1 3.73Å; Y520-Y606 HydrophobicContact CE1-CD1 3.73Å; Y520-Y606 HydrophobicContact CE1-CE1 4.4Å; Y520-Y606 HydrophobicContact CE1-CG 4.1Å; Y520-Y609 AromaticContact CD1-CD1 3.74Å; Y520-Y609 HydrophobicContact CD1-CD1 3.74Å; Y520-Y609 AromaticContact CD1-CE1 3.99Å; Y520-Y609 HydrophobicContact CD1-CE1 3.99Å; Y520-Y609 HydrophobicContact CD1-CG 4.12Å; Y520-Y609 AromaticContact CE1-CD1 3.81Å; Y520-Y609 HydrophobicContact CE1-CD1 3.81Å; Y520-Y609 HydrophobicContact CE1-CD2 4.09Å; Y520-Y609 HydrophobicContact CE1-CE1 4.3Å; Y520-Y609 AromaticContact CE1-CG 3.68Å; Y520-Y609 HydrophobicContact CE1-CG 3.68Å; Y520-Y611 WeakPolarHBondContact CA-OH 3.37Å; Y520-Y611 WeakPolarHBondContact O-CE1 3.26Å; Y520-Y611 PolarHBondContact O-OH 3.39Å
521	I	95	Very high	91.9	Very high	19 Å²	19	18 Å²	18	10%	0.097	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-44.9	176.8	-61.4	174	0	0	0	110	I278 L281 L512 M513 A517 G518 L524 L525	I278-I521 HydrophobicContact CD1-CG1 3.98Å; I278-I521 HydrophobicContact CG1-CG1 3.91Å; L281-I521 HydrophobicContact CD2-CD1 3.91Å; L512-I521 HydrophobicContact CD1-CD1 4.07Å; L512-I521 HydrophobicContact CD2-CD1 4.03Å; L512-I521 HydrophobicContact CD2-CG2 4.39Å; L512-I521 HydrophobicContact CG-CD1 3.67Å; M513-I521 HydrophobicContact CG-CB 4.19Å; M513-I521 HydrophobicContact CG-CG2 3.81Å; A517-I521 HydrophobicContact CB-CD1 4.4Å; A517-I521 PolarHBondContact O-N 2.91Å; G518-I521 PolarHBondContact O-N 2.94Å; I521-L524 PolarHBondContact O-N 2.59Å; I521-L525 HydrophobicContact CG2-CD1 4.25Å; I521-L525 WeakPolarHBondContact O-CG 3.23Å; I521-L525 PolarHBondContact O-N 3.25Å
522	L	94.2	Very high	90.9	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-57.8	-49.4	176.1	177.9	144.1	0	0	0	111.6	Y184 V187 V188 W191 M513 G518 A519 L524 L525 D526	Y184-L522 HydrophobicContact CD2-CG 4.44Å; V187-L522 HydrophobicContact CB-CD1 4.09Å; V187-L522 HydrophobicContact CG1-CD1 3.96Å; V188-L522 HydrophobicContact CG2-CD1 3.99Å; W191-L522 HydrophobicContact CH2-CD1 3.57Å; W191-L522 HydrophobicContact CH2-CD2 4.04Å; W191-L522 HydrophobicContact CH2-CG 4.33Å; W191-L522 HydrophobicContact CZ2-CD1 3.88Å; W191-L522 HydrophobicContact CZ3-CD1 4.22Å; M513-L522 HydrophobicContact SD-CB 4.31Å; G518-L522 WeakPolarHBondContact O-CB 3.42Å; G518-L522 PolarHBondContact O-N 3.24Å; A519-L522 PolarHBondContact O-N 3.25Å; L522-L524 VanDerWaalsContact C-N 3.32Å; L522-L524 PolarHBondContact O-N 3.01Å; L522-L525 PolarHBondContact O-N 3.14Å; L522-D526 WeakPolarHBondContact O-CB 2.98Å; L522-D526 PolarHBondContact O-N 3.14Å
523	N	91.5	Very high	90.2	Very high	28 Å²	28	14.3 Å²	14.3	15%	0.15	8%	0.077	C	C	.	.	H	α-helix	trans	-65.9	-34.8	-179.3	-178.6	65.6	0	0	0	112.5	A519 Y520 T527 M605 Y606 Y611	A519-N523 WeakPolarHBondContact O-CB 3.34Å; A519-N523 PolarHBondContact O-N 3.49Å; Y520-N523 PolarHBondContact O-N 3.48Å; N523-T527 WeakPolarHBondContact O-CB 3.47Å; N523-T527 PolarHBondContact O-N 2.85Å; N523-T527 PolarHBondContact O-OG1 3.43Å; N523-M605 PolarHBondContact ND2-O 2.81Å; N523-M605 VanDerWaalsContact ND2-O 3.1Å; N523-Y606 HydrophobicContact CB-CD2 3.7Å; N523-Y606 HydrophobicContact CB-CE2 4.36Å; N523-Y611 WeakPolarHBondContact CB-OH 3.2Å; N523-Y611 PolarHBondContact ND2-OH 2.88Å
524	L	91.7	Very high	89.5	Confident	9 Å²	9	14.7 Å²	14.7	5%	0.047	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-48	172.5	-171.8	75.1	0	0	0	111.1	I278 Y520 I521 L522 T527 F528 Y611 A615	I278-L524 HydrophobicContact CD1-CD2 4.09Å; Y520-L524 WeakPolarHBondContact O-CB 3.39Å; Y520-L524 PolarHBondContact O-N 3.24Å; I521-L524 PolarHBondContact O-N 2.59Å; L522-L524 VanDerWaalsContact C-N 3.32Å; L522-L524 PolarHBondContact O-N 3.01Å; L524-T527 PolarHBondContact O-N 3.1Å; L524-F528 HydrophobicContact CD1-CD2 3.67Å; L524-F528 HydrophobicContact CD1-CE2 3.65Å; L524-F528 HydrophobicContact CG-CD2 4.16Å; L524-F528 WeakPolarHBondContact O-CB 3.19Å; L524-F528 WeakPolarHBondContact O-CD2 3.49Å; L524-F528 PolarHBondContact O-N 2.97Å; L524-Y611 HydrophobicContact CB-CE1 4.05Å; L524-Y611 HydrophobicContact CD1-CD1 4.06Å; L524-Y611 HydrophobicContact CD1-CE1 4.13Å; L524-A615 HydrophobicContact CD2-CB 4.32Å
525	L	91.2	Very high	88.9	Confident	20 Å²	20	14.9 Å²	14.9	11%	0.105	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-41	178.7	-68.9	179	0	0	0	112.4	L180 Y184 M513 I521 L522 T527 F528 A529 L622	L180-L525 HydrophobicContact CD2-CD2 4.34Å; Y184-L525 HydrophobicContact CD1-CB 3.88Å; Y184-L525 HydrophobicContact CE1-CB 4.49Å; M513-L525 HydrophobicContact SD-CD1 3.87Å; I521-L525 HydrophobicContact CG2-CD1 4.25Å; I521-L525 WeakPolarHBondContact O-CG 3.23Å; I521-L525 PolarHBondContact O-N 3.25Å; L522-L525 PolarHBondContact O-N 3.14Å; L525-T527 VanDerWaalsContact C-N 3.31Å; L525-T527 PolarHBondContact O-N 3Å; L525-F528 PolarHBondContact O-N 3.25Å; L525-A529 WeakPolarHBondContact O-CA 3.35Å; L525-A529 WeakPolarHBondContact O-CB 3.37Å; L525-A529 PolarHBondContact O-N 3.3Å; L525-L622 HydrophobicContact CD2-CD1 3.69Å
526	D	88	Confident	88.1	Confident	41 Å²	41	16.3 Å²	16.3	22%	0.219	9%	0.086	C	C	.	.	I	π-helix	trans	-60.3	-44.6	176.2	-172.9	54.3	0	0	0	110.6	Y184 L522 G530 G531	Y184-D526 HydrophobicContact CD2-CB 4.37Å; Y184-D526 HydrophobicContact CE1-CB 4.33Å; Y184-D526 HydrophobicContact CE2-CB 3.9Å; Y184-D526 WeakPolarHBondContact CE2-OD1 3.29Å; Y184-D526 PolarHBondContact OH-OD1 3.15Å; L522-D526 WeakPolarHBondContact O-CB 2.98Å; L522-D526 PolarHBondContact O-N 3.14Å; D526-G530 CarbonylContact O-C 3.55Å; D526-G530 WeakPolarHBondContact O-CA 3.23Å; D526-G530 PolarHBondContact O-N 3.15Å; D526-G530 VanDerWaalsContact O-N 3.13Å; D526-G531 PolarHBondContact O-N 3.01Å
527	T	85.8	Confident	87.5	Confident	32 Å²	32	14.2 Å²	14.2	20%	0.196	8%	0.076	C	C	.	.	I	π-helix	trans	-66.1	-46.2	179.7	-57.1	0	0	0	0	112.8	N523 L524 L525 T604	N523-T527 WeakPolarHBondContact O-CB 3.47Å; N523-T527 PolarHBondContact O-N 2.85Å; N523-T527 PolarHBondContact O-OG1 3.43Å; L524-T527 PolarHBondContact O-N 3.1Å; L525-T527 VanDerWaalsContact C-N 3.31Å; L525-T527 PolarHBondContact O-N 3Å; T527-T604 HydrophobicContact CG2-CG2 3.99Å; T527-T604 WeakPolarHBondContact CG2-OG1 3.23Å
528	F	86.4	Confident	87.2	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-99.1	-1.5	-171.1	-73.8	-79.8	0	0	0	115.4	L524 L525 W532 P533 T604 G619 W620 A623	L524-F528 HydrophobicContact CD1-CD2 3.67Å; L524-F528 HydrophobicContact CD1-CE2 3.65Å; L524-F528 HydrophobicContact CG-CD2 4.16Å; L524-F528 WeakPolarHBondContact O-CB 3.19Å; L524-F528 WeakPolarHBondContact O-CD2 3.49Å; L524-F528 PolarHBondContact O-N 2.97Å; L525-F528 PolarHBondContact O-N 3.25Å; F528-W532 HydrophobicContact CD1-CZ2 4.32Å; F528-P533 WeakPolarHBondContact O-CG 3.45Å; F528-T604 HydrophobicContact CE2-CG2 4.35Å; F528-T604 WeakPolarHBondContact CE2-OG1 3.47Å; F528-G619 WeakPolarHBondContact CB-O 3.5Å; F528-G619 VanDerWaalsContact CD1-O 3.28Å; F528-G619 WeakPolarHBondContact CD1-O 3.36Å; F528-G619 VanDerWaalsContact CG-C 3.46Å; F528-W620 AromaticContact CE1-CD2 3.83Å; F528-W620 HydrophobicContact CE1-CD2 3.83Å; F528-W620 AromaticContact CE1-CE2 3.89Å; F528-W620 HydrophobicContact CE1-CE3 4.28Å; F528-W620 HydrophobicContact CE1-CG 4.02Å; F528-W620 HydrophobicContact CE1-CZ2 4.43Å; F528-A623 HydrophobicContact CD1-CB 4.15Å; F528-A623 WeakPolarHBondContact O-CA 3.35Å; F528-A623 WeakPolarHBondContact O-CB 3.21Å
529	A	84.5	Confident	86.7	Confident	3 Å²	3	15.2 Å²	15.2	3%	0.025	8%	0.081	C	C	.	.	I	π-helix	trans	-124	-51.8	171.9	0	0	0	0	0	112.3	T177 L180 L525	T177-A529 WeakPolarHBondContact CG2-O 3.49Å; L180-A529 HydrophobicContact CB-CB 3.82Å; L180-A529 HydrophobicContact CD1-CB 3.89Å; L525-A529 WeakPolarHBondContact O-CA 3.35Å; L525-A529 WeakPolarHBondContact O-CB 3.37Å; L525-A529 PolarHBondContact O-N 3.3Å
530	G	77.9	Confident	86.2	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.01	10%	0.095	C	C	.	.	I	π-helix	trans	-90.1	-10	-175.5	0	0	0	0	0	115.8	Y184 F368 D526 L534	Y184-G530 WeakPolarHBondContact OH-CA 3.38Å; F368-G530 WeakPolarHBondContact CD2-O 3.41Å; D526-G530 CarbonylContact O-C 3.55Å; D526-G530 WeakPolarHBondContact O-CA 3.23Å; D526-G530 PolarHBondContact O-N 3.15Å; D526-G530 VanDerWaalsContact O-N 3.13Å; G530-L534 WeakPolarHBondContact O-CD1 3.22Å
531	G	78.6	Confident	85.8	Confident	12 Å²	12	17.1 Å²	17.1	12%	0.124	9%	0.092	C	C	.	.	I	π-helix	trans	-89.9	-122.5	-177.2	0	0	0	0	0	113.8	D526 P533 L534	D526-G531 PolarHBondContact O-N 3.01Å; G531-P533 VanDerWaalsContact C-N 3.33Å; G531-L534 PolarHBondContact O-N 3.22Å
532	W	78.3	Confident	85.5	Confident	34 Å²	34	16.3 Å²	16.3	13%	0.129	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.5	-177.2	69	-93.8	0	0	0	115.7	F528 L534 L535 M536 F598 Y601 W620 A623 F624	F528-W532 HydrophobicContact CD1-CZ2 4.32Å; W532-L534 PolarHBondContact O-N 3.35Å; W532-L535 WeakPolarHBondContact O-CB 3.23Å; W532-L535 PolarHBondContact O-N 2.9Å; W532-M536 HydrophobicContact CE3-CG 4.23Å; W532-M536 HydrophobicContact CZ3-CG 3.91Å; W532-F598 AromaticContact CE3-CE1 3.94Å; W532-F598 HydrophobicContact CE3-CE1 3.94Å; W532-F598 HydrophobicContact CZ3-CE1 4.44Å; W532-Y601 AromaticContact CD1-CD2 3.93Å; W532-Y601 AromaticContact CD1-CE2 3.65Å; W532-Y601 HydrophobicContact CG-CD2 4.31Å; W532-Y601 HydrophobicContact CG-CE2 4.43Å; W532-Y601 AromaticContact NE1-CE2 3.51Å; W532-W620 HydrophobicContact CH2-CE3 4.07Å; W532-W620 AromaticContact CH2-CZ3 3.55Å; W532-W620 HydrophobicContact CH2-CZ3 3.55Å; W532-W620 AromaticContact CZ2-CE3 3.79Å; W532-W620 HydrophobicContact CZ2-CE3 3.79Å; W532-W620 HydrophobicContact CZ2-CH2 4.06Å; W532-W620 AromaticContact CZ2-CZ3 3.35Å; W532-W620 HydrophobicContact CZ2-CZ3 3.35Å; W532-A623 HydrophobicContact CH2-CB 3.67Å; W532-A623 HydrophobicContact CZ2-CB 3.52Å; W532-F624 HydrophobicContact CH2-CE1 4.46Å; W532-F624 HydrophobicContact CH2-CE2 4.34Å; W532-F624 HydrophobicContact CH2-CZ 4.12Å
533	P	81.1	Confident	84.9	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-24.4	179.5	-26	38.4	0	0	0	113.8	F528 G531 L535 M536 Q537 A623	F528-P533 WeakPolarHBondContact O-CG 3.45Å; G531-P533 VanDerWaalsContact C-N 3.33Å; P533-L535 VanDerWaalsContact C-N 3.26Å; P533-L535 PolarHBondContact O-N 3.31Å; P533-M536 WeakPolarHBondContact O-CB 3.37Å; P533-M536 PolarHBondContact O-N 3.04Å; P533-M536 VanDerWaalsContact O-N 3.09Å; P533-Q537 WeakPolarHBondContact O-CG 3.48Å; P533-Q537 PolarHBondContact O-N 3.33Å; P533-A623 HydrophobicContact CG-CB 3.83Å
534	L	83.1	Confident	84.4	Confident	13 Å²	13	17.7 Å²	17.7	7%	0.068	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-37.9	173.2	-69	178.6	0	0	0	111.8	T177 F368 A374 G530 G531 W532 M536 Q537 C538	T177-L534 HydrophobicContact CG2-CD2 3.73Å; F368-L534 HydrophobicContact CD2-CD1 4.19Å; A374-L534 HydrophobicContact CB-CD2 3.88Å; G530-L534 WeakPolarHBondContact O-CD1 3.22Å; G531-L534 PolarHBondContact O-N 3.22Å; W532-L534 PolarHBondContact O-N 3.35Å; L534-M536 VanDerWaalsContact C-N 3.3Å; L534-M536 PolarHBondContact O-N 2.95Å; L534-Q537 WeakPolarHBondContact O-CB 3.43Å; L534-Q537 PolarHBondContact O-N 3.5Å; L534-C538 PolarHBondContact O-N 2.88Å; L534-C538 PolarHBondContact O-SG 3.12Å; L534-C538 VanDerWaalsContact O-SG 3.39Å
535	L	84.3	Confident	84	Confident	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-65.6	-35.8	175.8	-59.7	179	0	0	0	111.6	V364 F367 W532 P533 Q537 L539 L594 N597 F598	V364-L535 HydrophobicContact CG2-CD1 3.87Å; F367-L535 HydrophobicContact CB-CD2 3.47Å; F367-L535 VanDerWaalsContact CB-CD2 3.47Å; F367-L535 HydrophobicContact CD1-CD2 3.8Å; F367-L535 HydrophobicContact CD2-CD2 3.98Å; F367-L535 HydrophobicContact CG-CD2 3.47Å; F367-L535 VanDerWaalsContact CG-CD2 3.47Å; W532-L535 WeakPolarHBondContact O-CB 3.23Å; W532-L535 PolarHBondContact O-N 2.9Å; P533-L535 VanDerWaalsContact C-N 3.26Å; P533-L535 PolarHBondContact O-N 3.31Å; L535-Q537 VanDerWaalsContact C-N 3.33Å; L535-L539 WeakPolarHBondContact O-CB 3.44Å; L535-L539 PolarHBondContact O-N 2.91Å; L535-L594 HydrophobicContact CB-CD2 3.94Å; L535-L594 HydrophobicContact CD2-CD2 3.76Å; L535-L594 HydrophobicContact CG-CD2 4.43Å; L535-N597 HydrophobicContact CD1-CB 3.52Å; L535-F598 HydrophobicContact CB-CZ 3.95Å
536	M	80.6	Confident	83.6	Confident	48 Å²	48	16.4 Å²	16.4	24%	0.236	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-41	174.2	-82	-58.3	176.4	0	0	110.8	W532 P533 L534 L539 L540 F598	W532-M536 HydrophobicContact CE3-CG 4.23Å; W532-M536 HydrophobicContact CZ3-CG 3.91Å; P533-M536 WeakPolarHBondContact O-CB 3.37Å; P533-M536 PolarHBondContact O-N 3.04Å; P533-M536 VanDerWaalsContact O-N 3.09Å; L534-M536 VanDerWaalsContact C-N 3.3Å; L534-M536 PolarHBondContact O-N 2.95Å; M536-L539 PolarHBondContact O-N 3.15Å; M536-L539 HydrophobicContact SD-CD2 4.45Å; M536-L540 WeakPolarHBondContact O-CG 3.42Å; M536-L540 PolarHBondContact O-N 2.87Å; M536-F598 HydrophobicContact CB-CZ 4.09Å; M536-F598 HydrophobicContact CE-CD1 3.19Å; M536-F598 HydrophobicContact CE-CD2 3.54Å; M536-F598 HydrophobicContact CE-CE1 3.04Å; M536-F598 HydrophobicContact CE-CE2 3.37Å; M536-F598 HydrophobicContact CE-CG 3.48Å; M536-F598 VanDerWaalsContact CE-CG 3.48Å; M536-F598 HydrophobicContact CE-CZ 3.15Å; M536-F598 HydrophobicContact CG-CE1 3.46Å; M536-F598 VanDerWaalsContact CG-CE1 3.46Å; M536-F598 HydrophobicContact CG-CE2 4.19Å; M536-F598 HydrophobicContact CG-CZ 3.26Å; M536-F598 HydrophobicContact SD-CD1 4.33Å; M536-F598 HydrophobicContact SD-CD2 4.21Å; M536-F598 HydrophobicContact SD-CE1 3.63Å; M536-F598 HydrophobicContact SD-CE2 3.45Å; M536-F598 WeakPolarHBondContact SD-CE2 3.43Å; M536-F598 HydrophobicContact SD-CZ 3.14Å; M536-F598 WeakPolarHBondContact SD-CZ 3.1Å
537	Q	85.6	Confident	83.2	Confident	6 Å²	6	19.4 Å²	19.4	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-63.6	-45.7	178.9	-67.2	166.7	19.6	0	0	111	L170 V173 T177 G373 P533 L534 L535 L539 L540 E541	L170-Q537 HydrophobicContact CD1-CB 4.02Å; L170-Q537 HydrophobicContact CD1-CG 4.1Å; V173-Q537 HydrophobicContact CG1-CG 3.87Å; T177-Q537 PolarHBondContact OG1-NE2 2.99Å; G373-Q537 PolarHBondContact O-OE1 2.81Å; P533-Q537 WeakPolarHBondContact O-CG 3.48Å; P533-Q537 PolarHBondContact O-N 3.33Å; L534-Q537 WeakPolarHBondContact O-CB 3.43Å; L534-Q537 PolarHBondContact O-N 3.5Å; L535-Q537 VanDerWaalsContact C-N 3.33Å; Q537-L539 VanDerWaalsContact C-N 3.29Å; Q537-L539 PolarHBondContact O-N 2.92Å; Q537-L540 PolarHBondContact O-N 2.94Å; Q537-E541 WeakPolarHBondContact O-CB 3.26Å; Q537-E541 PolarHBondContact O-N 3.46Å
538	C	88.3	Confident	82.7	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-40.1	172.9	-67.8	0	0	0	0	112.4	M123 F367 G373 L534 E541 L542 L594	M123-C538 HydrophobicContact CE-CB 3.67Å; F367-C538 HydrophobicContact CD1-CB 4.2Å; F367-C538 HydrophobicContact CE1-CB 4.04Å; G373-C538 WeakPolarHBondContact CA-SG 3.49Å; L534-C538 PolarHBondContact O-N 2.88Å; L534-C538 PolarHBondContact O-SG 3.12Å; L534-C538 VanDerWaalsContact O-SG 3.39Å; C538-E541 PolarHBondContact O-N 3.11Å; C538-L542 WeakPolarHBondContact O-CG 3.42Å; C538-L542 PolarHBondContact O-N 3.07Å; C538-L594 HydrophobicContact CB-CD1 3.88Å; C538-L594 HydrophobicContact CB-CD2 4.07Å
539	L	86.3	Confident	82.3	Confident	21 Å²	21	22 Å²	22	11%	0.11	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-45.1	179.7	-180	60.2	0	0	0	111	L535 M536 Q537 L542 I543 Q591 L594 V595 F598	L535-L539 WeakPolarHBondContact O-CB 3.44Å; L535-L539 PolarHBondContact O-N 2.91Å; M536-L539 PolarHBondContact O-N 3.15Å; M536-L539 HydrophobicContact SD-CD2 4.45Å; Q537-L539 VanDerWaalsContact C-N 3.29Å; Q537-L539 PolarHBondContact O-N 2.92Å; L539-L542 PolarHBondContact O-N 3.48Å; L539-I543 HydrophobicContact CD1-CD1 4.31Å; L539-I543 HydrophobicContact CG-CD1 4.1Å; L539-I543 VanDerWaalsContact O-CG1 3.31Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 3.4Å; L539-Q591 HydrophobicContact CD1-CB 4.07Å; L539-Q591 HydrophobicContact CD1-CG 3.77Å; L539-L594 HydrophobicContact CB-CB 4.25Å; L539-L594 HydrophobicContact CB-CD1 3.9Å; L539-L594 HydrophobicContact CD1-CB 4.23Å; L539-L594 HydrophobicContact CD1-CD1 4.28Å; L539-V595 HydrophobicContact CD1-CG2 4.49Å; L539-V595 HydrophobicContact CD2-CG2 4.21Å; L539-F598 HydrophobicContact CD2-CE2 4.13Å
540	L	83.6	Confident	82	Confident	59 Å²	59	22.7 Å²	22.7	31%	0.309	11%	0.114	S	C	.	.	H	α-helix	trans	-64.3	-40.8	176.7	-70.8	173.3	0	0	0	111.9	L170 M536 Q537 L542 I543 I544	L170-L540 HydrophobicContact CD1-CB 4.15Å; L170-L540 HydrophobicContact CD1-CD1 4.32Å; L170-L540 HydrophobicContact CD2-CB 4.07Å; M536-L540 WeakPolarHBondContact O-CG 3.42Å; M536-L540 PolarHBondContact O-N 2.87Å; Q537-L540 PolarHBondContact O-N 2.94Å; L540-L542 PolarHBondContact O-N 3.42Å; L540-I543 PolarHBondContact O-N 2.86Å; L540-I544 WeakPolarHBondContact O-CB 3.32Å; L540-I544 VanDerWaalsContact O-CG1 3.28Å; L540-I544 WeakPolarHBondContact O-CG1 3.32Å; L540-I544 PolarHBondContact O-N 2.87Å
541	E	86.5	Confident	82.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-47.6	174.7	176.9	169.2	-159.7	0	0	111.3	L126 E127 L130 F142 L170 Q537 C538 I543 I544 V545	L126-E541 VanDerWaalsContact CD2-CD 3.47Å; L126-E541 HydrophobicContact CD2-CG 3.69Å; L126-E541 WeakPolarHBondContact CD2-OE1 3.26Å; E127-E541 WeakPolarHBondContact CG-OE1 3.37Å; L130-E541 HydrophobicContact CD1-CG 4.44Å; L130-E541 VanDerWaalsContact CD1-OE1 3.31Å; L130-E541 WeakPolarHBondContact CD1-OE1 3.45Å; F142-E541 HydrophobicContact CE1-CB 4.35Å; F142-E541 HydrophobicContact CE1-CG 4.03Å; F142-E541 HydrophobicContact CZ-CB 4.23Å; F142-E541 HydrophobicContact CZ-CG 3.83Å; L170-E541 HydrophobicContact CD2-CB 4.02Å; Q537-E541 WeakPolarHBondContact O-CB 3.26Å; Q537-E541 PolarHBondContact O-N 3.46Å; C538-E541 PolarHBondContact O-N 3.11Å; E541-I543 PolarHBondContact O-N 3.29Å; E541-I544 PolarHBondContact O-N 2.97Å; E541-V545 HydrophobicContact CG-CG2 4.42Å; E541-V545 VanDerWaalsContact O-CG2 3.32Å; E541-V545 WeakPolarHBondContact O-CG2 3.46Å; E541-V545 PolarHBondContact O-N 2.78Å
542	L	87.5	Confident	82.3	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-41.6	176.6	-75.2	166.5	0	0	0	112.8	M123 L126 C538 L539 L540 I544 S546 T587 L590 L594	M123-L542 HydrophobicContact CE-CG 4.32Å; M123-L542 HydrophobicContact SD-CD1 3.57Å; M123-L542 VanDerWaalsContact SD-CD1 3.57Å; M123-L542 HydrophobicContact SD-CD2 3.68Å; M123-L542 HydrophobicContact SD-CG 3.58Å; M123-L542 VanDerWaalsContact SD-CG 3.58Å; L126-L542 HydrophobicContact CD1-CD2 3.74Å; C538-L542 WeakPolarHBondContact O-CG 3.42Å; C538-L542 PolarHBondContact O-N 3.07Å; L539-L542 PolarHBondContact O-N 3.48Å; L540-L542 PolarHBondContact O-N 3.42Å; L542-I544 VanDerWaalsContact C-N 3.33Å; L542-S546 WeakPolarHBondContact O-CB 3.46Å; L542-S546 PolarHBondContact O-N 3.47Å; L542-S546 PolarHBondContact O-OG 3.46Å; L542-T587 HydrophobicContact CB-CG2 4.12Å; L542-T587 HydrophobicContact CD2-CG2 4.06Å; L542-L590 HydrophobicContact CD1-CB 3.42Å; L542-L590 VanDerWaalsContact CD1-CB 3.42Å; L542-L590 HydrophobicContact CD1-CD1 4.13Å; L542-L590 HydrophobicContact CD1-CG 4.4Å; L542-L590 HydrophobicContact CD2-CB 4.3Å; L542-L590 HydrophobicContact CD2-CD1 3.56Å; L542-L590 HydrophobicContact CG-CD1 4.47Å; L542-L594 HydrophobicContact CD1-CD1 3.58Å
543	I	82.7	Confident	82.4	Confident	60 Å²	60	30.1 Å²	30.1	31%	0.308	15%	0.147	S	C	.	.	H	α-helix	trans	-62.5	-45	176.9	-71.3	166.9	0	0	0	110.1	L539 L540 E541 Y547	L539-I543 HydrophobicContact CD1-CD1 4.31Å; L539-I543 HydrophobicContact CG-CD1 4.1Å; L539-I543 VanDerWaalsContact O-CG1 3.31Å; L539-I543 WeakPolarHBondContact O-CG1 3.4Å; L539-I543 PolarHBondContact O-N 3.4Å; L540-I543 PolarHBondContact O-N 2.86Å; E541-I543 PolarHBondContact O-N 3.29Å; I543-Y547 HydrophobicContact CB-CD2 4.35Å; I543-Y547 HydrophobicContact CG1-CD2 4.48Å; I543-Y547 HydrophobicContact CG1-CE2 4.47Å; I543-Y547 HydrophobicContact CG2-CD2 4.15Å; I543-Y547 WeakPolarHBondContact O-CB 3.48Å; I543-Y547 PolarHBondContact O-N 3.31Å
544	I	81.2	Confident	82.5	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.15	C	C	.	.	I	π-helix	trans	-61.1	-52.9	178.1	-74	163.7	0	0	0	110.5	F142 L145 C146 L167 L170 L540 E541 L542 S546 I548 Y549	F142-I544 HydrophobicContact CD1-CD1 3.95Å; F142-I544 HydrophobicContact CD1-CG2 4.08Å; F142-I544 HydrophobicContact CE1-CD1 4.32Å; F142-I544 HydrophobicContact CE1-CG2 4.35Å; L145-I544 HydrophobicContact CB-CG2 4.18Å; L145-I544 HydrophobicContact CD1-CG2 4.46Å; C146-I544 WeakPolarHBondContact SG-CG2 3.36Å; L167-I544 HydrophobicContact CD2-CD1 4.16Å; L167-I544 HydrophobicContact CD2-CG1 4.24Å; L170-I544 HydrophobicContact CB-CD1 4.22Å; L170-I544 HydrophobicContact CD2-CD1 3.58Å; L540-I544 WeakPolarHBondContact O-CB 3.32Å; L540-I544 VanDerWaalsContact O-CG1 3.28Å; L540-I544 WeakPolarHBondContact O-CG1 3.32Å; L540-I544 PolarHBondContact O-N 2.87Å; E541-I544 PolarHBondContact O-N 2.97Å; L542-I544 VanDerWaalsContact C-N 3.33Å; I544-S546 PolarHBondContact O-N 3.25Å; I544-I548 HydrophobicContact CG1-CD1 4.07Å; I544-I548 CarbonylContact O-C 3.58Å; I544-I548 WeakPolarHBondContact O-CA 3.27Å; I544-I548 WeakPolarHBondContact O-CB 3.49Å; I544-I548 PolarHBondContact O-N 2.79Å; I544-I548 VanDerWaalsContact O-N 3.1Å; I544-Y549 PolarHBondContact O-N 3.37Å
545	V	83.4	Confident	82.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-64.3	-44.5	-176.7	173.4	0	0	0	0	111	L126 L130 L145 E541 G550 Y554	L126-V545 HydrophobicContact CD1-CG1 4.34Å; L126-V545 HydrophobicContact CD2-CG2 4.4Å; L130-V545 HydrophobicContact CD1-CG2 3.78Å; L130-V545 HydrophobicContact CD2-CG2 4.32Å; L145-V545 HydrophobicContact CD1-CG2 4.42Å; E541-V545 HydrophobicContact CG-CG2 4.42Å; E541-V545 VanDerWaalsContact O-CG2 3.32Å; E541-V545 WeakPolarHBondContact O-CG2 3.46Å; E541-V545 PolarHBondContact O-N 2.78Å; V545-G550 CarbonylContact O-C 3.58Å; V545-G550 PolarHBondContact O-N 3.27Å; V545-Y554 HydrophobicContact CG1-CD1 4.15Å; V545-Y554 HydrophobicContact CG1-CD2 3.51Å; V545-Y554 HydrophobicContact CG1-CE1 4.45Å; V545-Y554 HydrophobicContact CG1-CE2 3.84Å; V545-Y554 HydrophobicContact CG1-CG 3.67Å
546	S	82.3	Confident	82.7	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	18%	0.177	C	C	.	.	I	π-helix	trans	-82.5	-38.6	-170.4	-66.1	0	0	0	0	114.1	L542 I544 G550 I551 T587	L542-S546 WeakPolarHBondContact O-CB 3.46Å; L542-S546 PolarHBondContact O-N 3.47Å; L542-S546 PolarHBondContact O-OG 3.46Å; I544-S546 PolarHBondContact O-N 3.25Å; S546-G550 WeakPolarHBondContact O-CA 3.29Å; S546-I551 PolarHBondContact O-N 3.44Å; S546-T587 WeakPolarHBondContact OG-CB 3.29Å; S546-T587 WeakPolarHBondContact OG-CG2 3.4Å; S546-T587 PolarHBondContact OG-OG1 3.28Å
547	Y	78.6	Confident	83	Confident	104 Å²	104	35 Å²	35	41%	0.408	17%	0.169	S	C	.	.	I	π-helix	trans	-108.1	-33.1	-173.9	-53.3	-68.5	0	0	0	113.8	I543 Y584 Q591	I543-Y547 HydrophobicContact CB-CD2 4.35Å; I543-Y547 HydrophobicContact CG1-CD2 4.48Å; I543-Y547 HydrophobicContact CG1-CE2 4.47Å; I543-Y547 HydrophobicContact CG2-CD2 4.15Å; I543-Y547 WeakPolarHBondContact O-CB 3.48Å; I543-Y547 PolarHBondContact O-N 3.31Å; Y547-Y584 HydrophobicContact CD1-CE1 4.22Å; Y547-Y584 HydrophobicContact CE1-CD1 4.33Å; Y547-Y584 AromaticContact CE1-CE1 3.92Å; Y547-Y584 HydrophobicContact CE1-CE1 3.92Å; Y547-Q591 PolarHBondContact OH-NE2 3.46Å; Y547-Q591 PolarHBondContact OH-OE1 3.28Å
548	I	76.6	Confident	83.1	Confident	54 Å²	54	34.9 Å²	34.9	28%	0.277	17%	0.169	S	C	.	.	I	π-helix	trans	-91.2	-56	-175.8	-54.6	-176.2	0	0	0	110.9	C146 L148 L167 I544 G550	C146-I548 HydrophobicContact CB-CG2 4.35Å; L148-I548 HydrophobicContact CB-CG2 4.33Å; L167-I548 HydrophobicContact CD1-CD1 3.58Å; L167-I548 HydrophobicContact CD1-CG2 4.17Å; L167-I548 HydrophobicContact CD2-CD1 4.36Å; I544-I548 HydrophobicContact CG1-CD1 4.07Å; I544-I548 CarbonylContact O-C 3.58Å; I544-I548 WeakPolarHBondContact O-CA 3.27Å; I544-I548 WeakPolarHBondContact O-CB 3.49Å; I544-I548 PolarHBondContact O-N 2.79Å; I544-I548 VanDerWaalsContact O-N 3.1Å; I548-G550 VanDerWaalsContact C-N 3.33Å
549	Y	77.6	Confident	83	Confident	33 Å²	33	39.4 Å²	39.4	13%	0.129	19%	0.188	C	C	.	.	I	π-helix	trans	-70	-37.1	172.9	-174.2	-118.3	0	0	0	110.9	L145 I544 N553 D557	L145-Y549 HydrophobicContact CB-CD2 4.24Å; L145-Y549 HydrophobicContact CB-CG 4.41Å; L145-Y549 HydrophobicContact CD2-CD1 3.8Å; L145-Y549 HydrophobicContact CD2-CD2 3.64Å; L145-Y549 HydrophobicContact CD2-CE1 3.93Å; L145-Y549 HydrophobicContact CD2-CE2 3.79Å; L145-Y549 HydrophobicContact CD2-CG 3.65Å; L145-Y549 WeakPolarHBondContact O-CD2 3.31Å; I544-Y549 PolarHBondContact O-N 3.37Å; Y549-N553 HydrophobicContact CD1-CB 4.1Å; Y549-N553 HydrophobicContact CE1-CB 3.61Å; Y549-N553 HydrophobicContact CE2-CB 4.3Å; Y549-N553 PolarHBondContact O-ND2 3.24Å; Y549-D557 VanDerWaalsContact CE1-OD2 3.24Å; Y549-D557 WeakPolarHBondContact CE1-OD2 3.08Å; Y549-D557 VanDerWaalsContact CZ-OD2 3.26Å; Y549-D557 PolarHBondContact OH-OD2 2.99Å
550	G	78.4	Confident	83.1	Confident	17 Å²	17	43.6 Å²	43.6	18%	0.175	21%	0.206	C	C	.	.	I	π-helix	trans	91.1	128	175.4	0	0	0	0	0	112.4	V545 S546 I548 K552 N553 Y554	V545-G550 CarbonylContact O-C 3.58Å; V545-G550 PolarHBondContact O-N 3.27Å; S546-G550 WeakPolarHBondContact O-CA 3.29Å; I548-G550 VanDerWaalsContact C-N 3.33Å; G550-K552 PolarHBondContact O-N 3.1Å; G550-N553 PolarHBondContact O-N 3.02Å; G550-N553 VanDerWaalsContact O-N 3.08Å; G550-Y554 PolarHBondContact O-N 2.79Å
551	I	81.9	Confident	83.5	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-51.7	-33.8	-179.3	-69.5	-168.6	0	0	0	113.5	S546 Y554 V555 S583 Y584	S546-I551 PolarHBondContact O-N 3.44Å; I551-Y554 PolarHBondContact O-N 3.35Å; I551-V555 HydrophobicContact CG2-CG2 4.03Å; I551-V555 WeakPolarHBondContact O-CB 3.35Å; I551-V555 WeakPolarHBondContact O-CG2 3.41Å; I551-V555 PolarHBondContact O-N 3.02Å; I551-S583 VanDerWaalsContact CG2-CB 3.4Å; I551-Y584 HydrophobicContact CB-CE2 4.47Å; I551-Y584 HydrophobicContact CD1-CD1 3.29Å; I551-Y584 HydrophobicContact CD1-CD2 3.88Å; I551-Y584 HydrophobicContact CD1-CE1 3.44Å; I551-Y584 VanDerWaalsContact CD1-CE1 3.44Å; I551-Y584 HydrophobicContact CD1-CE2 4.02Å; I551-Y584 HydrophobicContact CD1-CG 3.5Å; I551-Y584 VanDerWaalsContact CD1-CG 3.5Å; I551-Y584 HydrophobicContact CG1-CD1 4.34Å; I551-Y584 HydrophobicContact CG1-CE1 4.02Å
552	K	80.4	Confident	83.6	Confident	126 Å²	126	43.5 Å²	43.5	55%	0.548	21%	0.205	S	C	.	.	H	α-helix	trans	-62.2	-47.7	179.9	-69	176.8	177.6	171.1	0	112.1	G550 Y554 V555 E556	G550-K552 PolarHBondContact O-N 3.1Å; K552-Y554 VanDerWaalsContact C-N 3.34Å; K552-V555 PolarHBondContact O-N 3Å; K552-E556 WeakPolarHBondContact O-CG 3.11Å; K552-E556 PolarHBondContact O-N 3.39Å
553	N	81.2	Confident	83.7	Confident	74 Å²	74	44.9 Å²	44.9	40%	0.396	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-43.9	179.1	-63.1	-33.4	0	0	0	109.9	Y549 G550 V555 E556 D557	Y549-N553 HydrophobicContact CD1-CB 4.1Å; Y549-N553 HydrophobicContact CE1-CB 3.61Å; Y549-N553 HydrophobicContact CE2-CB 4.3Å; Y549-N553 PolarHBondContact O-ND2 3.24Å; G550-N553 PolarHBondContact O-N 3.02Å; G550-N553 VanDerWaalsContact O-N 3.08Å; N553-V555 PolarHBondContact O-N 2.58Å; N553-E556 PolarHBondContact O-N 3.5Å; N553-E556 VanDerWaalsContact O-N 3.12Å; N553-D557 PolarHBondContact O-N 3.21Å
554	Y	83.4	Confident	83.8	Confident	18 Å²	18	46.8 Å²	46.8	7%	0.071	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-45.6	175.6	178.9	-111.3	0	0	0	112.9	L126 L130 V545 G550 I551 K552 E556 D557 Y558 P576	L126-Y554 WeakPolarHBondContact CA-OH 3.48Å; L126-Y554 HydrophobicContact CG-CE2 4.32Å; L130-Y554 HydrophobicContact CD2-CD2 4.23Å; L130-Y554 HydrophobicContact CD2-CE2 4.08Å; V545-Y554 HydrophobicContact CG1-CD1 4.15Å; V545-Y554 HydrophobicContact CG1-CD2 3.51Å; V545-Y554 HydrophobicContact CG1-CE1 4.45Å; V545-Y554 HydrophobicContact CG1-CE2 3.84Å; V545-Y554 HydrophobicContact CG1-CG 3.67Å; G550-Y554 PolarHBondContact O-N 2.79Å; I551-Y554 PolarHBondContact O-N 3.35Å; K552-Y554 VanDerWaalsContact C-N 3.34Å; Y554-E556 PolarHBondContact O-N 3Å; Y554-D557 PolarHBondContact O-N 3.34Å; Y554-Y558 HydrophobicContact CD2-CD2 4.11Å; Y554-Y558 AromaticContact CD2-CE2 3.84Å; Y554-Y558 HydrophobicContact CD2-CE2 3.84Å; Y554-Y558 HydrophobicContact CE1-CD2 4.38Å; Y554-Y558 HydrophobicContact CE1-CE2 4.16Å; Y554-Y558 AromaticContact CE2-CD2 3.82Å; Y554-Y558 HydrophobicContact CE2-CD2 3.82Å; Y554-Y558 AromaticContact CE2-CE2 3.13Å; Y554-Y558 HydrophobicContact CE2-CE2 3.13Å; Y554-Y558 AromaticContact CE2-CZ 3.91Å; Y554-Y558 AromaticContact CZ-CD2 3.92Å; Y554-Y558 AromaticContact CZ-CE2 3.29Å; Y554-Y558 AromaticContact CZ-CZ 3.71Å; Y554-Y558 WeakPolarHBondContact O-CD2 3.41Å; Y554-Y558 PolarHBondContact O-N 3.45Å; Y554-Y558 VanDerWaalsContact O-N 3.13Å; Y554-Y558 WeakPolarHBondContact OH-CE2 3.2Å; Y554-Y558 VanDerWaalsContact OH-CZ 3.27Å; Y554-Y558 PolarHBondContact OH-OH 3.01Å; Y554-P576 HydrophobicContact CD1-CB 3.69Å; Y554-P576 HydrophobicContact CD1-CG 4.1Å; Y554-P576 HydrophobicContact CE1-CB 3.51Å; Y554-P576 HydrophobicContact CE1-CG 3.65Å
555	V	85.4	Confident	84	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-42.3	175.4	171.6	0	0	0	0	111.6	I551 K552 N553 D557 Y558 K559 P576 V577	I551-V555 HydrophobicContact CG2-CG2 4.03Å; I551-V555 WeakPolarHBondContact O-CB 3.35Å; I551-V555 WeakPolarHBondContact O-CG2 3.41Å; I551-V555 PolarHBondContact O-N 3.02Å; K552-V555 PolarHBondContact O-N 3Å; N553-V555 PolarHBondContact O-N 2.58Å; V555-D557 VanDerWaalsContact C-N 3.34Å; V555-Y558 PolarHBondContact O-N 3.06Å; V555-K559 WeakPolarHBondContact O-CB 3.39Å; V555-K559 PolarHBondContact O-N 2.97Å; V555-P576 HydrophobicContact CB-CB 4.48Å; V555-P576 HydrophobicContact CG2-CB 3.76Å; V555-V577 WeakPolarHBondContact CG2-O 3.35Å
556	E	85.3	Confident	83.8	Confident	129 Å²	129	52.1 Å²	52.1	60%	0.603	27%	0.265	S	S	*	.	H	α-helix	trans	-63.6	-39.7	178.7	-74.3	178.6	-171.2	0	0	112	K552 N553 Y554 K559 F560	K552-E556 WeakPolarHBondContact O-CG 3.11Å; K552-E556 PolarHBondContact O-N 3.39Å; N553-E556 PolarHBondContact O-N 3.5Å; N553-E556 VanDerWaalsContact O-N 3.12Å; Y554-E556 PolarHBondContact O-N 3Å; E556-K559 PolarHBondContact O-N 2.79Å; E556-F560 WeakPolarHBondContact O-CB 3.25Å; E556-F560 PolarHBondContact O-N 3.13Å
557	D	86.3	Confident	83.9	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-42.8	176.9	-63.4	-29.7	0	0	0	111.8	Y133 Y549 N553 Y554 V555 F560 M561	Y133-D557 HydrophobicContact CD1-CB 4.18Å; Y133-D557 HydrophobicContact CD2-CB 3.99Å; Y133-D557 HydrophobicContact CE1-CB 4.04Å; Y133-D557 VanDerWaalsContact CE1-CG 3.43Å; Y133-D557 WeakPolarHBondContact CE1-OD1 3.13Å; Y133-D557 HydrophobicContact CE2-CB 3.86Å; Y133-D557 HydrophobicContact CG-CB 4.15Å; Y133-D557 PolarHBondContact OH-OD1 2.85Å; Y549-D557 VanDerWaalsContact CE1-OD2 3.24Å; Y549-D557 WeakPolarHBondContact CE1-OD2 3.08Å; Y549-D557 VanDerWaalsContact CZ-OD2 3.26Å; Y549-D557 PolarHBondContact OH-OD2 2.99Å; N553-D557 PolarHBondContact O-N 3.21Å; Y554-D557 PolarHBondContact O-N 3.34Å; V555-D557 VanDerWaalsContact C-N 3.34Å; D557-F560 WeakPolarHBondContact O-CB 3.48Å; D557-F560 PolarHBondContact O-N 3.49Å; D557-M561 WeakPolarHBondContact O-CG 3.47Å; D557-M561 PolarHBondContact O-N 3.08Å
558	Y	87.5	Confident	84.1	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-41.3	174.4	-90.9	-106.1	0	0	0	112	F125 L126 G129 I390 Y554 V555 F560 M561 L562 P576	F125-Y558 AromaticContact CD1-CE1 3.9Å; F125-Y558 HydrophobicContact CD1-CE1 3.9Å; F125-Y558 AromaticContact CE1-CD1 3.81Å; F125-Y558 HydrophobicContact CE1-CD1 3.81Å; F125-Y558 AromaticContact CE1-CE1 3.31Å; F125-Y558 HydrophobicContact CE1-CE1 3.31Å; F125-Y558 HydrophobicContact CE2-CE1 4.35Å; F125-Y558 AromaticContact CZ-CD1 3.99Å; F125-Y558 HydrophobicContact CZ-CD1 3.99Å; F125-Y558 AromaticContact CZ-CE1 3.58Å; F125-Y558 HydrophobicContact CZ-CE1 3.58Å; F125-Y558 PolarHBondContact O-OH 3.14Å; L126-Y558 WeakPolarHBondContact CA-OH 3.43Å; L126-Y558 PolarHBondContact O-OH 3.42Å; G129-Y558 VanDerWaalsContact CA-OH 3.26Å; G129-Y558 WeakPolarHBondContact CA-OH 3.36Å; I390-Y558 HydrophobicContact CD1-CE1 4.21Å; Y554-Y558 HydrophobicContact CD2-CD2 4.11Å; Y554-Y558 AromaticContact CD2-CE2 3.84Å; Y554-Y558 HydrophobicContact CD2-CE2 3.84Å; Y554-Y558 HydrophobicContact CE1-CD2 4.38Å; Y554-Y558 HydrophobicContact CE1-CE2 4.16Å; Y554-Y558 AromaticContact CE2-CD2 3.82Å; Y554-Y558 HydrophobicContact CE2-CD2 3.82Å; Y554-Y558 AromaticContact CE2-CE2 3.13Å; Y554-Y558 HydrophobicContact CE2-CE2 3.13Å; Y554-Y558 AromaticContact CE2-CZ 3.91Å; Y554-Y558 AromaticContact CZ-CD2 3.92Å; Y554-Y558 AromaticContact CZ-CE2 3.29Å; Y554-Y558 AromaticContact CZ-CZ 3.71Å; Y554-Y558 WeakPolarHBondContact O-CD2 3.41Å; Y554-Y558 PolarHBondContact O-N 3.45Å; Y554-Y558 VanDerWaalsContact O-N 3.13Å; Y554-Y558 WeakPolarHBondContact OH-CE2 3.2Å; Y554-Y558 VanDerWaalsContact OH-CZ 3.27Å; Y554-Y558 PolarHBondContact OH-OH 3.01Å; V555-Y558 PolarHBondContact O-N 3.06Å; Y558-F560 PolarHBondContact O-N 3.44Å; Y558-M561 HydrophobicContact CD2-CE 3.99Å; Y558-M561 HydrophobicContact CE2-CE 4.14Å; Y558-M561 HydrophobicContact CG-CE 4.21Å; Y558-M561 PolarHBondContact O-N 3.39Å; Y558-L562 HydrophobicContact CD1-CD1 4.31Å; Y558-L562 PolarHBondContact O-N 2.95Å; Y558-P576 HydrophobicContact CD1-CG 3.55Å; Y558-P576 HydrophobicContact CD2-CG 3.71Å; Y558-P576 HydrophobicContact CE1-CG 4.14Å; Y558-P576 HydrophobicContact CE2-CG 4.3Å; Y558-P576 HydrophobicContact CG-CG 3.28Å
559	K	87.5	Confident	84.4	Confident	95 Å²	95	60.8 Å²	60.8	41%	0.413	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-36.1	175.7	-172.7	168.7	-178.7	136.7	0	111.8	V555 E556 G563 D564	V555-K559 WeakPolarHBondContact O-CB 3.39Å; V555-K559 PolarHBondContact O-N 2.97Å; E556-K559 PolarHBondContact O-N 2.79Å; K559-G563 WeakPolarHBondContact CA-O 3.2Å; K559-G563 WeakPolarHBondContact O-CA 3.17Å; K559-G563 PolarHBondContact O-N 3.33Å; K559-D564 WeakPolarHBondContact CE-OD1 3.37Å; K559-D564 IonicContact NZ-OD1 2.66Å; K559-D564 PolarHBondContact NZ-OD1 2.96Å; K559-D564 IonicContact NZ-OD2 3.04Å; K559-D564 PolarHBondContact NZ-OD2 2.96Å
560	F	88.1	Confident	84.5	Confident	108 Å²	108	61.3 Å²	61.3	47%	0.474	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-39.7	175	176	-107.6	0	0	0	112.9	Y133 L386 E556 D557 Y558	Y133-F560 HydrophobicContact CD2-CD1 4.4Å; Y133-F560 AromaticContact CE2-CD1 3.84Å; Y133-F560 HydrophobicContact CE2-CD1 3.84Å; Y133-F560 HydrophobicContact CE2-CE1 4.31Å; L386-F560 HydrophobicContact CD2-CD1 4.29Å; L386-F560 HydrophobicContact CD2-CE1 3.53Å; L386-F560 HydrophobicContact CD2-CZ 4.06Å; E556-F560 WeakPolarHBondContact O-CB 3.25Å; E556-F560 PolarHBondContact O-N 3.13Å; D557-F560 WeakPolarHBondContact O-CB 3.48Å; D557-F560 PolarHBondContact O-N 3.49Å; Y558-F560 PolarHBondContact O-N 3.44Å
561	M	90.9	Very high	84.7	Confident	9 Å²	9	64 Å²	64	4%	0.044	32%	0.322	C	S	.	.	H	α-helix	trans	-76.4	-44.9	179.3	-70.8	-171.5	-72.5	0	0	114.1	Q132 Y133 L386 D557 Y558	Q132-M561 HydrophobicContact CB-SD 4.24Å; Q132-M561 HydrophobicContact CG-SD 4.05Å; Y133-M561 VanDerWaalsContact CA-SD 3.51Å; Y133-M561 WeakPolarHBondContact CB-SD 3.19Å; Y133-M561 HydrophobicContact CD2-CE 4.4Å; Y133-M561 HydrophobicContact CD2-CG 3.92Å; Y133-M561 HydrophobicContact CD2-SD 4.04Å; Y133-M561 HydrophobicContact CG-CE 4.42Å; Y133-M561 HydrophobicContact CG-SD 4.24Å; Y133-M561 PolarHBondContact N-SD 2.94Å; L386-M561 HydrophobicContact CD1-CG 3.77Å; L386-M561 HydrophobicContact CD1-SD 4.22Å; L386-M561 HydrophobicContact CG-CG 4.2Å; D557-M561 WeakPolarHBondContact O-CG 3.47Å; D557-M561 PolarHBondContact O-N 3.08Å; Y558-M561 HydrophobicContact CD2-CE 3.99Å; Y558-M561 HydrophobicContact CE2-CE 4.14Å; Y558-M561 HydrophobicContact CG-CE 4.21Å; Y558-M561 PolarHBondContact O-N 3.39Å
562	L	90.4	Very high	84.5	Confident	48 Å²	48	68.8 Å²	68.8	25%	0.251	34%	0.343	S	S	.	.	H	α-helix	trans	-123	-8.3	-164.4	-59.3	179.4	0	0	0	114.1	F125 N388 I390 Y558 Y575	F125-L562 HydrophobicContact CE2-CD1 4.38Å; F125-L562 HydrophobicContact CZ-CD1 4Å; N388-L562 WeakPolarHBondContact O-CD2 3.39Å; I390-L562 HydrophobicContact CD1-CD1 4.02Å; I390-L562 HydrophobicContact CG1-CD1 3.71Å; I390-L562 HydrophobicContact CG1-CD2 4.38Å; Y558-L562 HydrophobicContact CD1-CD1 4.31Å; Y558-L562 PolarHBondContact O-N 2.95Å; L562-Y575 HydrophobicContact CD1-CE2 4.45Å
563	G	88.8	Confident	84.6	Confident	30 Å²	30	64.2 Å²	64.2	31%	0.309	32%	0.324	S	S	.	.			trans	82.5	-149.4	-176.3	0	0	0	0	0	113.5	K559 Y575	K559-G563 WeakPolarHBondContact CA-O 3.2Å; K559-G563 WeakPolarHBondContact O-CA 3.17Å; K559-G563 PolarHBondContact O-N 3.33Å; G563-Y575 PolarHBondContact O-OH 2.78Å
564	D	85.8	Confident	84.6	Confident	101 Å²	101	61 Å²	61	54%	0.54	31%	0.309	S	S	.	.	S	Bend	trans	-87.6	154.1	177	-77.6	-55.9	0	0	0	111.4	K559	K559-D564 WeakPolarHBondContact CE-OD1 3.37Å; K559-D564 IonicContact NZ-OD1 2.66Å; K559-D564 PolarHBondContact NZ-OD1 2.96Å; K559-D564 IonicContact NZ-OD2 3.04Å; K559-D564 PolarHBondContact NZ-OD2 2.96Å
565	P	83.5	Confident	84.5	Confident	24 Å²	24	60.5 Å²	60.5	16%	0.156	31%	0.307	C	S	.	.			trans	-61.2	132.9	-179.6	21.4	-30.8	0	0	0	111.1	S567 K571 Y575	P565-S567 VanDerWaalsContact C-N 3.26Å; P565-S567 PolarHBondContact O-N 3.32Å; P565-K571 HydrophobicContact CB-CG 4.35Å; P565-K571 HydrophobicContact CG-CG 4.3Å; P565-Y575 HydrophobicContact CB-CD1 3.58Å; P565-Y575 HydrophobicContact CB-CD2 4.32Å; P565-Y575 HydrophobicContact CB-CE1 3.75Å; P565-Y575 HydrophobicContact CB-CE2 4.45Å; P565-Y575 HydrophobicContact CB-CG 3.89Å; P565-Y575 HydrophobicContact CG-CD1 4.04Å; P565-Y575 HydrophobicContact CG-CE1 4.06Å
566	P	81	Confident	84.2	Confident	92 Å²	92	60.3 Å²	60.3	60%	0.597	31%	0.306	S	S	*	.	S	Bend	trans	-68.5	-22.2	-174.7	11.5	-14.9	0	0	0	114.1	L391 W570	L391-P566 HydrophobicContact CD2-CG 4.02Å; P566-W570 HydrophobicContact CG-CG 4.29Å
567	S	84.5	Confident	83.9	Confident	52 Å²	52	55 Å²	55	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-160.9	172.6	179.4	78.1	0	0	0	0	112.4	P565 I569 W570	P565-S567 VanDerWaalsContact C-N 3.26Å; P565-S567 PolarHBondContact O-N 3.32Å; S567-I569 VanDerWaalsContact C-N 3.32Å; S567-I569 PolarHBondContact O-N 2.88Å; S567-I569 WeakPolarHBondContact OG-CG2 3.37Å; S567-W570 PolarHBondContact O-N 3.44Å
568	K	81	Confident	83.2	Confident	183 Å²	183	59 Å²	59	80%	0.796	31%	0.308	S	S	*	.	H	α-helix	trans	-65	-31.2	179.9	-68.8	-179.3	-178.5	177	0	113.3	W570 K571 F572	K568-W570 VanDerWaalsContact C-N 3.26Å; K568-W570 PolarHBondContact O-N 2.98Å; K568-K571 WeakPolarHBondContact O-CB 3.24Å; K568-K571 PolarHBondContact O-N 3.28Å; K568-F572 PolarHBondContact O-N 2.81Å
569	I	83.6	Confident	82.6	Confident	106 Å²	106	63 Å²	63	54%	0.544	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-36	-178.1	-155.6	167.5	0	0	0	111.5	S567 K571 F572 L573	S567-I569 VanDerWaalsContact C-N 3.32Å; S567-I569 PolarHBondContact O-N 2.88Å; S567-I569 WeakPolarHBondContact OG-CG2 3.37Å; I569-K571 VanDerWaalsContact C-N 3.28Å; I569-K571 PolarHBondContact O-N 2.91Å; I569-F572 WeakPolarHBondContact O-CB 3.19Å; I569-F572 PolarHBondContact O-N 2.98Å; I569-L573 HydrophobicContact CG1-CD1 4.4Å; I569-L573 WeakPolarHBondContact O-CG 3.32Å; I569-L573 PolarHBondContact O-N 3.48Å
570	W	80.2	Confident	81.7	Confident	44 Å²	44	62.4 Å²	62.4	17%	0.167	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-34.4	178.6	-62.2	112.8	0	0	0	112.2	L391 I395 P566 S567 K568 F572 L573 G574 Y575	L391-W570 HydrophobicContact CD1-CD2 3.93Å; L391-W570 HydrophobicContact CD1-CE3 3.21Å; L391-W570 HydrophobicContact CD1-CH2 3.89Å; L391-W570 HydrophobicContact CD1-CZ3 3.19Å; L391-W570 HydrophobicContact CD2-CD2 3.58Å; L391-W570 HydrophobicContact CD2-CE3 3.72Å; L391-W570 HydrophobicContact CD2-CG 4.16Å; L391-W570 HydrophobicContact CD2-CH2 3.6Å; L391-W570 HydrophobicContact CD2-CZ2 3.57Å; L391-W570 HydrophobicContact CD2-CZ3 3.74Å; L391-W570 HydrophobicContact CG-CD2 3.99Å; L391-W570 HydrophobicContact CG-CE3 3.56Å; L391-W570 HydrophobicContact CG-CH2 3.31Å; L391-W570 HydrophobicContact CG-CZ2 3.86Å; L391-W570 HydrophobicContact CG-CZ3 3.2Å; I395-W570 HydrophobicContact CD1-CH2 3.14Å; I395-W570 HydrophobicContact CD1-CZ2 4.06Å; I395-W570 HydrophobicContact CD1-CZ3 3.62Å; I395-W570 HydrophobicContact CG1-CH2 3.81Å; I395-W570 HydrophobicContact CG1-CZ3 3.95Å; P566-W570 HydrophobicContact CG-CG 4.29Å; S567-W570 PolarHBondContact O-N 3.44Å; K568-W570 VanDerWaalsContact C-N 3.26Å; K568-W570 PolarHBondContact O-N 2.98Å; W570-F572 VanDerWaalsContact C-N 3.26Å; W570-F572 PolarHBondContact O-N 3.36Å; W570-L573 HydrophobicContact CE3-CD1 3.85Å; W570-L573 HydrophobicContact CZ3-CD1 4.12Å; W570-L573 PolarHBondContact O-N 3.13Å; W570-G574 PolarHBondContact O-N 3.35Å; W570-Y575 HydrophobicContact CB-CD2 4.47Å; W570-Y575 HydrophobicContact CB-CG 4.46Å; W570-Y575 WeakPolarHBondContact O-CA 3.24Å; W570-Y575 WeakPolarHBondContact O-CB 3.38Å; W570-Y575 PolarHBondContact O-N 2.8Å
571	K	81.9	Confident	81	Confident	75 Å²	75	62.8 Å²	62.8	33%	0.326	34%	0.338	S	S	.	.	H	α-helix	trans	-62.6	-35.6	174.1	-51.1	-173.6	172.3	-179.9	0	111.6	P565 K568 I569 V577 T582	P565-K571 HydrophobicContact CB-CG 4.35Å; P565-K571 HydrophobicContact CG-CG 4.3Å; K568-K571 WeakPolarHBondContact O-CB 3.24Å; K568-K571 PolarHBondContact O-N 3.28Å; I569-K571 VanDerWaalsContact C-N 3.28Å; I569-K571 PolarHBondContact O-N 2.91Å; K571-V577 HydrophobicContact CB-CG2 3.87Å; K571-V577 HydrophobicContact CD-CG1 4.38Å; K571-V577 HydrophobicContact CD-CG2 3.86Å; K571-V577 HydrophobicContact CG-CG2 3.58Å; K571-T582 HydrophobicContact CB-CG2 4.44Å
572	F	79	Confident	80.2	Confident	103 Å²	103	64.6 Å²	64.6	45%	0.452	35%	0.35	S	S	.	.	H	α-helix	trans	-72.9	-42.7	176.1	176	-98.5	0	0	0	112.2	V117 K568 I569 W570 G574 R589	V117-F572 HydrophobicContact CG1-CE1 4.03Å; K568-F572 PolarHBondContact O-N 2.81Å; I569-F572 WeakPolarHBondContact O-CB 3.19Å; I569-F572 PolarHBondContact O-N 2.98Å; W570-F572 VanDerWaalsContact C-N 3.26Å; W570-F572 PolarHBondContact O-N 3.36Å; F572-G574 PolarHBondContact O-N 3.35Å; F572-G574 VanDerWaalsContact O-N 3.16Å; F572-R589 VanDerWaalsContact CE2-NH1 3.34Å; F572-R589 PolarHBondContact O-NH2 2.67Å
573	L	82.2	Confident	79.5	Confident	31 Å²	31	62.7 Å²	62.7	16%	0.162	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	1.4	179	-67.4	175.4	0	0	0	114.4	V117 V121 P122 I569 W570	V117-L573 HydrophobicContact CG1-CD2 3.93Å; V121-L573 HydrophobicContact CG1-CB 4.37Å; V121-L573 HydrophobicContact CG1-CD2 4.44Å; P122-L573 WeakPolarHBondContact CG-O 3.26Å; I569-L573 HydrophobicContact CG1-CD1 4.4Å; I569-L573 WeakPolarHBondContact O-CG 3.32Å; I569-L573 PolarHBondContact O-N 3.48Å; W570-L573 HydrophobicContact CE3-CD1 3.85Å; W570-L573 HydrophobicContact CZ3-CD1 4.12Å; W570-L573 PolarHBondContact O-N 3.13Å
574	G	79.7	Confident	78.9	Confident	7 Å²	7	65.6 Å²	65.6	7%	0.072	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	7.7	173.6	0	0	0	0	0	115.7	W570 F572 P576	W570-G574 PolarHBondContact O-N 3.35Å; F572-G574 PolarHBondContact O-N 3.35Å; F572-G574 VanDerWaalsContact O-N 3.16Å; G574-P576 WeakPolarHBondContact O-CD 3.45Å
575	Y	82.1	Confident	78.6	Confident	6 Å²	6	62 Å²	62	2%	0.024	33%	0.331	C	S	.	.			trans	-60.4	119.8	170.6	-165.7	-72.5	0	0	0	109.6	F125 L391 L562 G563 P565 W570 V577	F125-Y575 HydrophobicContact CE1-CD2 4.01Å; F125-Y575 HydrophobicContact CE1-CG 4.36Å; F125-Y575 AromaticContact CZ-CD2 3.91Å; F125-Y575 HydrophobicContact CZ-CD2 3.91Å; F125-Y575 HydrophobicContact CZ-CE2 4.3Å; L391-Y575 HydrophobicContact CD1-CD2 4.26Å; L562-Y575 HydrophobicContact CD1-CE2 4.45Å; G563-Y575 PolarHBondContact O-OH 2.78Å; P565-Y575 HydrophobicContact CB-CD1 3.58Å; P565-Y575 HydrophobicContact CB-CD2 4.32Å; P565-Y575 HydrophobicContact CB-CE1 3.75Å; P565-Y575 HydrophobicContact CB-CE2 4.45Å; P565-Y575 HydrophobicContact CB-CG 3.89Å; P565-Y575 HydrophobicContact CG-CD1 4.04Å; P565-Y575 HydrophobicContact CG-CE1 4.06Å; W570-Y575 HydrophobicContact CB-CD2 4.47Å; W570-Y575 HydrophobicContact CB-CG 4.46Å; W570-Y575 WeakPolarHBondContact O-CA 3.24Å; W570-Y575 WeakPolarHBondContact O-CB 3.38Å; W570-Y575 PolarHBondContact O-N 2.8Å; Y575-V577 VanDerWaalsContact O-CG2 3.25Å; Y575-V577 WeakPolarHBondContact O-CG2 3.19Å; Y575-V577 PolarHBondContact O-N 3.04Å
576	P	79.3	Confident	78.2	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.039	33%	0.327	C	S	.	.			trans	-68.6	126.9	-177.2	26.3	-31.6	0	0	0	110.6	Y554 V555 Y558 G574	Y554-P576 HydrophobicContact CD1-CB 3.69Å; Y554-P576 HydrophobicContact CD1-CG 4.1Å; Y554-P576 HydrophobicContact CE1-CB 3.51Å; Y554-P576 HydrophobicContact CE1-CG 3.65Å; V555-P576 HydrophobicContact CB-CB 4.48Å; V555-P576 HydrophobicContact CG2-CB 3.76Å; Y558-P576 HydrophobicContact CD1-CG 3.55Å; Y558-P576 HydrophobicContact CD2-CG 3.71Å; Y558-P576 HydrophobicContact CE1-CG 4.14Å; Y558-P576 HydrophobicContact CE2-CG 4.3Å; Y558-P576 HydrophobicContact CG-CG 3.28Å; G574-P576 WeakPolarHBondContact O-CD 3.45Å
577	V	78.9	Confident	78.2	Confident	18 Å²	18	57.7 Å²	57.7	11%	0.109	30%	0.302	C	S	.	.			trans	-117.9	150.7	-177.6	-162.6	0	0	0	0	109.8	V555 K571 Y575 N579 S583	V555-V577 WeakPolarHBondContact CG2-O 3.35Å; K571-V577 HydrophobicContact CB-CG2 3.87Å; K571-V577 HydrophobicContact CD-CG1 4.38Å; K571-V577 HydrophobicContact CD-CG2 3.86Å; K571-V577 HydrophobicContact CG-CG2 3.58Å; Y575-V577 VanDerWaalsContact O-CG2 3.25Å; Y575-V577 WeakPolarHBondContact O-CG2 3.19Å; Y575-V577 PolarHBondContact O-N 3.04Å; V577-N579 CarbonylContact O-C 3.45Å; V577-N579 PolarHBondContact O-N 3.24Å; V577-S583 PolarHBondContact N-OG 3.34Å; V577-S583 PolarHBondContact O-OG 2.66Å
578	T	71.9	Confident	78.1	Confident	99 Å²	99	58.9 Å²	58.9	61%	0.607	30%	0.304	S	S	*	.	S	Bend	trans	-55.3	-25.4	175.1	-42.2	0	0	0	0	112.9	Q580	T578-Q580 PolarHBondContact O-N 3.29Å
579	N	74.8	Confident	78.1	Confident	85 Å²	85	54.1 Å²	54.1	46%	0.455	28%	0.281	S	S	.	.			trans	-67.3	100.8	169.3	-172.9	-6.6	0	0	0	110.1	V577 V581 T582 S583	V577-N579 CarbonylContact O-C 3.45Å; V577-N579 PolarHBondContact O-N 3.24Å; N579-V581 PolarHBondContact O-N 2.94Å; N579-V581 WeakPolarHBondContact OD1-CB 3.28Å; N579-V581 PolarHBondContact OD1-N 3.26Å; N579-V581 VanDerWaalsContact OD1-N 3.07Å; N579-T582 PolarHBondContact ND2-OG1 2.8Å; N579-T582 PolarHBondContact O-N 2.66Å; N579-T582 VanDerWaalsContact O-N 3.13Å; N579-S583 PolarHBondContact O-N 3.19Å
580	Q	68.6	Low	78	Confident	84 Å²	84	49.2 Å²	49.2	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-56.1	-34.6	179.9	-74.7	169	46.9	0	0	112.5	T578 T582 S583 Y584	T578-Q580 PolarHBondContact O-N 3.29Å; Q580-T582 VanDerWaalsContact C-N 3.33Å; Q580-T582 PolarHBondContact O-N 2.72Å; Q580-S583 PolarHBondContact O-N 3.43Å; Q580-Y584 HydrophobicContact CB-CD2 4.06Å; Q580-Y584 HydrophobicContact CB-CE2 4.22Å; Q580-Y584 WeakPolarHBondContact O-CB 3.37Å; Q580-Y584 WeakPolarHBondContact O-CD2 3.33Å; Q580-Y584 PolarHBondContact O-N 2.95Å
581	V	73.2	Confident	78	Confident	115 Å²	115	48.5 Å²	48.5	70%	0.697	25%	0.254	S	S	*	.	H	α-helix	trans	-61.6	-43.7	179.6	-179.4	0	0	0	0	110.9	N579 G585	N579-V581 PolarHBondContact O-N 2.94Å; N579-V581 WeakPolarHBondContact OD1-CB 3.28Å; N579-V581 PolarHBondContact OD1-N 3.26Å; N579-V581 VanDerWaalsContact OD1-N 3.07Å; V581-G585 PolarHBondContact O-N 3.48Å
582	T	72.9	Confident	78	Confident	47 Å²	47	47.9 Å²	47.9	29%	0.288	26%	0.263	S	S	.	.	H	α-helix	trans	-67.4	-45.7	178.6	-51.1	0	0	0	0	111.2	K571 N579 Q580 G585 V586	K571-T582 HydrophobicContact CB-CG2 4.44Å; N579-T582 PolarHBondContact ND2-OG1 2.8Å; N579-T582 PolarHBondContact O-N 2.66Å; N579-T582 VanDerWaalsContact O-N 3.13Å; Q580-T582 VanDerWaalsContact C-N 3.33Å; Q580-T582 PolarHBondContact O-N 2.72Å; T582-G585 PolarHBondContact O-N 3.42Å; T582-V586 WeakPolarHBondContact O-CG2 3.34Å; T582-V586 PolarHBondContact O-N 3.27Å
583	S	76.1	Confident	78.1	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-44	-178.3	-62	0	0	0	0	112.4	I551 V577 N579 Q580 G585 V586 T587	I551-S583 VanDerWaalsContact CG2-CB 3.4Å; V577-S583 PolarHBondContact N-OG 3.34Å; V577-S583 PolarHBondContact O-OG 2.66Å; N579-S583 PolarHBondContact O-N 3.19Å; Q580-S583 PolarHBondContact O-N 3.43Å; S583-G585 VanDerWaalsContact C-N 3.3Å; S583-G585 PolarHBondContact O-N 3.05Å; S583-V586 PolarHBondContact O-N 2.95Å; S583-T587 PolarHBondContact O-N 3.2Å; S583-T587 VanDerWaalsContact O-N 3.15Å; S583-T587 PolarHBondContact O-OG1 2.92Å
584	Y	77.8	Confident	78	Confident	90 Å²	90	42.6 Å²	42.6	35%	0.353	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-35.8	170.9	-82	-69.5	0	0	0	111.8	Y547 I551 Q580 V586 T587 L588	Y547-Y584 HydrophobicContact CD1-CE1 4.22Å; Y547-Y584 HydrophobicContact CE1-CD1 4.33Å; Y547-Y584 AromaticContact CE1-CE1 3.92Å; Y547-Y584 HydrophobicContact CE1-CE1 3.92Å; I551-Y584 HydrophobicContact CB-CE2 4.47Å; I551-Y584 HydrophobicContact CD1-CD1 3.29Å; I551-Y584 HydrophobicContact CD1-CD2 3.88Å; I551-Y584 HydrophobicContact CD1-CE1 3.44Å; I551-Y584 VanDerWaalsContact CD1-CE1 3.44Å; I551-Y584 HydrophobicContact CD1-CE2 4.02Å; I551-Y584 HydrophobicContact CD1-CG 3.5Å; I551-Y584 VanDerWaalsContact CD1-CG 3.5Å; I551-Y584 HydrophobicContact CG1-CD1 4.34Å; I551-Y584 HydrophobicContact CG1-CE1 4.02Å; Q580-Y584 HydrophobicContact CB-CD2 4.06Å; Q580-Y584 HydrophobicContact CB-CE2 4.22Å; Q580-Y584 WeakPolarHBondContact O-CB 3.37Å; Q580-Y584 WeakPolarHBondContact O-CD2 3.33Å; Q580-Y584 PolarHBondContact O-N 2.95Å; Y584-V586 VanDerWaalsContact C-N 3.34Å; Y584-V586 PolarHBondContact O-N 3.23Å; Y584-T587 PolarHBondContact O-N 2.68Å; Y584-L588 VanDerWaalsContact O-CB 3.29Å; Y584-L588 WeakPolarHBondContact O-CB 3.12Å; Y584-L588 PolarHBondContact O-N 3.15Å
585	G	77.7	Confident	78	Confident	27 Å²	27	45.9 Å²	45.9	28%	0.278	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-34.2	175.4	0	0	0	0	0	113.3	V581 T582 S583 R589	V581-G585 PolarHBondContact O-N 3.48Å; T582-G585 PolarHBondContact O-N 3.42Å; S583-G585 VanDerWaalsContact C-N 3.3Å; S583-G585 PolarHBondContact O-N 3.05Å; G585-R589 WeakPolarHBondContact O-CB 3.41Å; G585-R589 WeakPolarHBondContact O-CG 3.02Å; G585-R589 PolarHBondContact O-N 3.19Å; G585-R589 PolarHBondContact O-NE 3.06Å; G585-R589 VanDerWaalsContact O-NE 3.1Å
586	V	76.1	Confident	77.7	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.085	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-52.9	169.8	174.7	0	0	0	0	109.7	P122 T582 S583 Y584 L588 R589 L590	P122-V586 HydrophobicContact CB-CG1 4.11Å; T582-V586 WeakPolarHBondContact O-CG2 3.34Å; T582-V586 PolarHBondContact O-N 3.27Å; S583-V586 PolarHBondContact O-N 2.95Å; Y584-V586 VanDerWaalsContact C-N 3.34Å; Y584-V586 PolarHBondContact O-N 3.23Å; V586-L588 VanDerWaalsContact C-N 3.35Å; V586-L588 PolarHBondContact O-N 3.12Å; V586-R589 VanDerWaalsContact CG2-NH2 3.27Å; V586-R589 PolarHBondContact O-N 3.09Å; V586-L590 HydrophobicContact CG1-CD1 4.06Å; V586-L590 WeakPolarHBondContact O-CG 3.27Å; V586-L590 PolarHBondContact O-N 2.9Å; V586-L590 VanDerWaalsContact O-N 3.09Å
587	T	80.4	Confident	77.3	Confident	10 Å²	10	49.5 Å²	49.5	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-43	-178.8	-46.9	0	0	0	0	112.4	L542 S546 S583 Y584 R589 L590 Q591	L542-T587 HydrophobicContact CB-CG2 4.12Å; L542-T587 HydrophobicContact CD2-CG2 4.06Å; S546-T587 WeakPolarHBondContact OG-CB 3.29Å; S546-T587 WeakPolarHBondContact OG-CG2 3.4Å; S546-T587 PolarHBondContact OG-OG1 3.28Å; S583-T587 PolarHBondContact O-N 3.2Å; S583-T587 VanDerWaalsContact O-N 3.15Å; S583-T587 PolarHBondContact O-OG1 2.92Å; Y584-T587 PolarHBondContact O-N 2.68Å; T587-R589 VanDerWaalsContact C-N 3.34Å; T587-R589 PolarHBondContact O-N 2.89Å; T587-L590 PolarHBondContact O-N 3.38Å; T587-Q591 HydrophobicContact CG2-CG 4.39Å; T587-Q591 WeakPolarHBondContact O-CG 3.38Å; T587-Q591 PolarHBondContact O-N 2.03Å
588	L	82.4	Confident	76.9	Confident	78 Å²	78	51.2 Å²	51.2	41%	0.408	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-39.9	-179.8	-173.7	68.8	0	0	0	111.7	Y584 V586 Q591 A592	Y584-L588 VanDerWaalsContact O-CB 3.29Å; Y584-L588 WeakPolarHBondContact O-CB 3.12Å; Y584-L588 PolarHBondContact O-N 3.15Å; V586-L588 VanDerWaalsContact C-N 3.35Å; V586-L588 PolarHBondContact O-N 3.12Å; L588-Q591 PolarHBondContact O-N 3.47Å; L588-A592 WeakPolarHBondContact O-CB 3.19Å; L588-A592 PolarHBondContact O-N 2.68Å
589	R	81	Confident	76.5	Confident	82 Å²	82	52.8 Å²	52.8	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-44.2	174.6	-76	-178.8	-65.9	157.4	1.3	111.5	F572 G585 V586 T587 A592 V593	F572-R589 VanDerWaalsContact CE2-NH1 3.34Å; F572-R589 PolarHBondContact O-NH2 2.67Å; G585-R589 WeakPolarHBondContact O-CB 3.41Å; G585-R589 WeakPolarHBondContact O-CG 3.02Å; G585-R589 PolarHBondContact O-N 3.19Å; G585-R589 PolarHBondContact O-NE 3.06Å; G585-R589 VanDerWaalsContact O-NE 3.1Å; V586-R589 VanDerWaalsContact CG2-NH2 3.27Å; V586-R589 PolarHBondContact O-N 3.09Å; T587-R589 VanDerWaalsContact C-N 3.34Å; T587-R589 PolarHBondContact O-N 2.89Å; R589-A592 PolarHBondContact O-N 3.01Å; R589-V593 WeakPolarHBondContact O-CG2 3.35Å; R589-V593 PolarHBondContact O-N 3.36Å
590	L	82.5	Confident	76.1	Confident	3 Å²	3	52 Å²	52	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-44.1	177.9	-63.9	174.1	0	0	0	112.1	I118 G119 P122 M123 L542 V586 T587 A592 V593 L594	I118-L590 WeakPolarHBondContact O-CD2 3.43Å; G119-L590 VanDerWaalsContact CA-CD2 3.49Å; G119-L590 WeakPolarHBondContact O-CD2 3.47Å; P122-L590 HydrophobicContact CB-CD1 3.88Å; P122-L590 HydrophobicContact CB-CD2 4.02Å; P122-L590 HydrophobicContact CB-CG 4.4Å; P122-L590 HydrophobicContact CG-CD2 4.23Å; M123-L590 HydrophobicContact CG-CD1 4.24Å; M123-L590 HydrophobicContact CG-CD2 4.12Å; M123-L590 HydrophobicContact SD-CD1 3.94Å; L542-L590 HydrophobicContact CD1-CB 3.42Å; L542-L590 VanDerWaalsContact CD1-CB 3.42Å; L542-L590 HydrophobicContact CD1-CD1 4.13Å; L542-L590 HydrophobicContact CD1-CG 4.4Å; L542-L590 HydrophobicContact CD2-CB 4.3Å; L542-L590 HydrophobicContact CD2-CD1 3.56Å; L542-L590 HydrophobicContact CG-CD1 4.47Å; V586-L590 HydrophobicContact CG1-CD1 4.06Å; V586-L590 WeakPolarHBondContact O-CG 3.27Å; V586-L590 PolarHBondContact O-N 2.9Å; V586-L590 VanDerWaalsContact O-N 3.09Å; T587-L590 PolarHBondContact O-N 3.38Å; L590-A592 VanDerWaalsContact C-N 3.31Å; L590-A592 PolarHBondContact O-N 3.43Å; L590-V593 PolarHBondContact O-N 3.25Å; L590-L594 VanDerWaalsContact O-CG 3.31Å; L590-L594 WeakPolarHBondContact O-CG 3.45Å; L590-L594 PolarHBondContact O-N 3.33Å
591	Q	80.5	Confident	75.9	Confident	29 Å²	29	52.4 Å²	52.4	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-40.7	174.5	-70.6	173.2	23.9	0	0	111.6	L539 Y547 T587 L588 V593 L594 V595	L539-Q591 HydrophobicContact CD1-CB 4.07Å; L539-Q591 HydrophobicContact CD1-CG 3.77Å; Y547-Q591 PolarHBondContact OH-NE2 3.46Å; Y547-Q591 PolarHBondContact OH-OE1 3.28Å; T587-Q591 HydrophobicContact CG2-CG 4.39Å; T587-Q591 WeakPolarHBondContact O-CG 3.38Å; T587-Q591 PolarHBondContact O-N 2.03Å; L588-Q591 PolarHBondContact O-N 3.47Å; Q591-V593 PolarHBondContact O-N 2.93Å; Q591-L594 PolarHBondContact O-N 3.42Å; Q591-V595 WeakPolarHBondContact O-CB 3.39Å; Q591-V595 WeakPolarHBondContact O-CG2 2.99Å; Q591-V595 PolarHBondContact O-N 2.88Å
592	A	81.1	Confident	75.4	Confident	62 Å²	62	51.3 Å²	51.3	51%	0.512	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-43.9	177	0	0	0	0	0	112.1	L588 R589 L590 F596	L588-A592 WeakPolarHBondContact O-CB 3.19Å; L588-A592 PolarHBondContact O-N 2.68Å; R589-A592 PolarHBondContact O-N 3.01Å; L590-A592 VanDerWaalsContact C-N 3.31Å; L590-A592 PolarHBondContact O-N 3.43Å; A592-F596 VanDerWaalsContact O-CB 3.32Å; A592-F596 WeakPolarHBondContact O-CB 3.07Å; A592-F596 PolarHBondContact O-N 3.21Å
593	V	80	Confident	74.9	Confident	24 Å²	24	53.7 Å²	53.7	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-45.9	174.8	172.9	0	0	0	0	110.6	V115 I118 A363 F367 R589 L590 Q591 N597	V115-V593 HydrophobicContact CG1-CG1 4.36Å; I118-V593 HydrophobicContact CD1-CG2 4.03Å; I118-V593 HydrophobicContact CG1-CG2 4.29Å; A363-V593 HydrophobicContact CB-CG1 4.15Å; F367-V593 HydrophobicContact CE2-CG1 4Å; F367-V593 HydrophobicContact CZ-CG1 4.44Å; R589-V593 WeakPolarHBondContact O-CG2 3.35Å; R589-V593 PolarHBondContact O-N 3.36Å; L590-V593 PolarHBondContact O-N 3.25Å; Q591-V593 PolarHBondContact O-N 2.93Å; V593-N597 PolarHBondContact O-N 3.46Å; V593-N597 PolarHBondContact O-ND2 2.77Å
594	L	80.2	Confident	74.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.4	-42.3	-178.6	-70	170.2	0	0	0	112.9	F367 L535 C538 L539 L542 L590 Q591 N597 F598	F367-L594 HydrophobicContact CD1-CD2 3.98Å; F367-L594 HydrophobicContact CE1-CD1 4.39Å; F367-L594 HydrophobicContact CE1-CD2 3.44Å; F367-L594 VanDerWaalsContact CE1-CD2 3.44Å; F367-L594 HydrophobicContact CE1-CG 4.15Å; F367-L594 HydrophobicContact CE2-CD2 4.35Å; F367-L594 HydrophobicContact CZ-CD2 3.65Å; F367-L594 HydrophobicContact CZ-CG 4.09Å; L535-L594 HydrophobicContact CB-CD2 3.94Å; L535-L594 HydrophobicContact CD2-CD2 3.76Å; L535-L594 HydrophobicContact CG-CD2 4.43Å; C538-L594 HydrophobicContact CB-CD1 3.88Å; C538-L594 HydrophobicContact CB-CD2 4.07Å; L539-L594 HydrophobicContact CB-CB 4.25Å; L539-L594 HydrophobicContact CB-CD1 3.9Å; L539-L594 HydrophobicContact CD1-CB 4.23Å; L539-L594 HydrophobicContact CD1-CD1 4.28Å; L542-L594 HydrophobicContact CD1-CD1 3.58Å; L590-L594 VanDerWaalsContact O-CG 3.31Å; L590-L594 WeakPolarHBondContact O-CG 3.45Å; L590-L594 PolarHBondContact O-N 3.33Å; Q591-L594 PolarHBondContact O-N 3.42Å; L594-N597 PolarHBondContact O-N 2.85Å; L594-F598 VanDerWaalsContact O-CD2 3.22Å; L594-F598 WeakPolarHBondContact O-CD2 3.39Å; L594-F598 VanDerWaalsContact O-CE2 3.3Å; L594-F598 WeakPolarHBondContact O-CE2 3.24Å
595	V	80.2	Confident	74.1	Confident	76 Å²	76	52.8 Å²	52.8	46%	0.461	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-39.5	178.2	171.3	0	0	0	0	111.5	L539 Q591 N597 F598	L539-V595 HydrophobicContact CD1-CG2 4.49Å; L539-V595 HydrophobicContact CD2-CG2 4.21Å; Q591-V595 WeakPolarHBondContact O-CB 3.39Å; Q591-V595 WeakPolarHBondContact O-CG2 2.99Å; Q591-V595 PolarHBondContact O-N 2.88Å; V595-N597 PolarHBondContact O-N 2.87Å; V595-F598 PolarHBondContact O-N 2.87Å
596	F	77.1	Confident	74	Confident	77 Å²	77	52.8 Å²	52.8	34%	0.338	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-36.3	176.5	177.6	-97.6	0	0	0	112.5	W359 A592 F598 L599	W359-F596 HydrophobicContact CB-CE1 3.63Å; W359-F596 HydrophobicContact CB-CZ 4.03Å; A592-F596 VanDerWaalsContact O-CB 3.32Å; A592-F596 WeakPolarHBondContact O-CB 3.07Å; A592-F596 PolarHBondContact O-N 3.21Å; F596-F598 VanDerWaalsContact C-N 3.34Å; F596-F598 PolarHBondContact O-N 3.25Å; F596-L599 WeakPolarHBondContact O-CB 3.36Å; F596-L599 PolarHBondContact O-N 2.92Å
597	N	70.6	Confident	74.1	Confident	11 Å²	11	57.8 Å²	57.8	6%	0.059	31%	0.306	C	S	.	.	H	α-helix	trans	-66.2	-31.6	179.7	-81.1	-82.5	0	0	0	113.8	G360 A363 L535 V593 L594 V595 L599 Q600	G360-N597 WeakPolarHBondContact CA-OD1 3.42Å; G360-N597 PolarHBondContact O-OD1 3.23Å; A363-N597 WeakPolarHBondContact CB-ND2 3.4Å; A363-N597 WeakPolarHBondContact CB-OD1 3.4Å; L535-N597 HydrophobicContact CD1-CB 3.52Å; V593-N597 PolarHBondContact O-N 3.46Å; V593-N597 PolarHBondContact O-ND2 2.77Å; L594-N597 PolarHBondContact O-N 2.85Å; V595-N597 PolarHBondContact O-N 2.87Å; N597-L599 PolarHBondContact O-N 2.97Å; N597-Q600 PolarHBondContact O-N 3.44Å; N597-Q600 VanDerWaalsContact O-N 3.13Å
598	F	69.8	Low	74.1	Confident	54 Å²	54	66 Å²	66	24%	0.237	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-21	178.2	-68.5	-60.2	0	0	0	113.6	W532 L535 M536 L539 L594 V595 F596 Q600	W532-F598 AromaticContact CE3-CE1 3.94Å; W532-F598 HydrophobicContact CE3-CE1 3.94Å; W532-F598 HydrophobicContact CZ3-CE1 4.44Å; L535-F598 HydrophobicContact CB-CZ 3.95Å; M536-F598 HydrophobicContact CB-CZ 4.09Å; M536-F598 HydrophobicContact CE-CD1 3.19Å; M536-F598 HydrophobicContact CE-CD2 3.54Å; M536-F598 HydrophobicContact CE-CE1 3.04Å; M536-F598 HydrophobicContact CE-CE2 3.37Å; M536-F598 HydrophobicContact CE-CG 3.48Å; M536-F598 VanDerWaalsContact CE-CG 3.48Å; M536-F598 HydrophobicContact CE-CZ 3.15Å; M536-F598 HydrophobicContact CG-CE1 3.46Å; M536-F598 VanDerWaalsContact CG-CE1 3.46Å; M536-F598 HydrophobicContact CG-CE2 4.19Å; M536-F598 HydrophobicContact CG-CZ 3.26Å; M536-F598 HydrophobicContact SD-CD1 4.33Å; M536-F598 HydrophobicContact SD-CD2 4.21Å; M536-F598 HydrophobicContact SD-CE1 3.63Å; M536-F598 HydrophobicContact SD-CE2 3.45Å; M536-F598 WeakPolarHBondContact SD-CE2 3.43Å; M536-F598 HydrophobicContact SD-CZ 3.14Å; M536-F598 WeakPolarHBondContact SD-CZ 3.1Å; L539-F598 HydrophobicContact CD2-CE2 4.13Å; L594-F598 VanDerWaalsContact O-CD2 3.22Å; L594-F598 WeakPolarHBondContact O-CD2 3.39Å; L594-F598 VanDerWaalsContact O-CE2 3.3Å; L594-F598 WeakPolarHBondContact O-CE2 3.24Å; V595-F598 PolarHBondContact O-N 2.87Å; F596-F598 VanDerWaalsContact C-N 3.34Å; F596-F598 PolarHBondContact O-N 3.25Å; F598-Q600 PolarHBondContact O-N 3.46Å
599	L	63.3	Low	74.3	Confident	131 Å²	131	64.4 Å²	64.4	69%	0.686	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-3.2	176.6	-58.8	175.6	0	0	0	113	F596 N597	F596-L599 WeakPolarHBondContact O-CB 3.36Å; F596-L599 PolarHBondContact O-N 2.92Å; N597-L599 PolarHBondContact O-N 2.97Å
600	Q	66.9	Low	74.6	Confident	68 Å²	68	65 Å²	65	32%	0.318	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	16.9	-175.3	-58.9	-64.1	-75.7	0	0	113.5	S356 N597 F598 S602	S356-Q600 PolarHBondContact OG-NE2 3.25Å; S356-Q600 PolarHBondContact OG-OE1 2.8Å; N597-Q600 PolarHBondContact O-N 3.44Å; N597-Q600 VanDerWaalsContact O-N 3.13Å; F598-Q600 PolarHBondContact O-N 3.46Å; Q600-S602 PolarHBondContact O-N 2.88Å
601	Y	64.8	Low	75	Confident	93 Å²	93	65.2 Å²	65.2	37%	0.365	35%	0.346	S	S	.	.			trans	-60.4	130.8	178.8	179.4	-101	0	0	0	111.9	W532 W620	W532-Y601 AromaticContact CD1-CD2 3.93Å; W532-Y601 AromaticContact CD1-CE2 3.65Å; W532-Y601 HydrophobicContact CG-CD2 4.31Å; W532-Y601 HydrophobicContact CG-CE2 4.43Å; W532-Y601 AromaticContact NE1-CE2 3.51Å; Y601-W620 HydrophobicContact CE1-CH2 4.17Å; Y601-W620 AromaticContact CE1-CZ2 3.86Å; Y601-W620 HydrophobicContact CE1-CZ2 3.86Å; Y601-W620 AromaticContact CZ-CZ2 3.88Å
602	S	62	Low	75.5	Confident	92 Å²	92	65.2 Å²	65.2	64%	0.643	35%	0.348	S	S	*	.			trans	-113	158.4	174.6	58.8	0	0	0	0	111.7	Q600	Q600-S602 PolarHBondContact O-N 2.88Å
603	V	63	Low	76	Confident	97 Å²	97	67.6 Å²	67.6	59%	0.588	36%	0.356	S	S	*	.			trans	-65.2	145.1	-179.7	-177.4	0	0	0	0	111	M605	V603-M605 HydrophobicContact CG1-SD 4.34Å; V603-M605 PolarHBondContact O-N 3.02Å
604	T	68.7	Low	76.7	Confident	4 Å²	4	71.9 Å²	71.9	3%	0.025	37%	0.37	C	S	.	.			trans	-79	116.9	178.6	-51.4	0	0	0	0	109.8	T527 F528 Y611	T527-T604 HydrophobicContact CG2-CG2 3.99Å; T527-T604 WeakPolarHBondContact CG2-OG1 3.23Å; F528-T604 HydrophobicContact CE2-CG2 4.35Å; F528-T604 WeakPolarHBondContact CE2-OG1 3.47Å; T604-Y611 HydrophobicContact CG2-CD2 4.03Å; T604-Y611 HydrophobicContact CG2-CE2 3.9Å; T604-Y611 WeakPolarHBondContact O-CD2 3.1Å
605	M	68.9	Low	77.2	Confident	77 Å²	77	71.9 Å²	71.9	38%	0.379	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149	177.5	-59.2	-70.2	-68.6	0	0	109.3	N523 V603 V610	N523-M605 PolarHBondContact ND2-O 2.81Å; N523-M605 VanDerWaalsContact ND2-O 3.1Å; V603-M605 HydrophobicContact CG1-SD 4.34Å; V603-M605 PolarHBondContact O-N 3.02Å; M605-V610 HydrophobicContact CE-CB 4.45Å; M605-V610 HydrophobicContact CE-CG2 3.5Å; M605-V610 VanDerWaalsContact CE-CG2 3.5Å; M605-V610 HydrophobicContact SD-CB 4.38Å; M605-V610 HydrophobicContact SD-CG2 3.86Å
606	Y	75.5	Confident	77.7	Confident	27 Å²	27	70.5 Å²	70.5	11%	0.106	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	104.5	165.6	-175.8	-84	0	0	0	107.9	L274 A519 Y520 N523 E608 Y609	L274-Y606 HydrophobicContact CD2-CE1 4.25Å; A519-Y606 HydrophobicContact CB-CE2 4.07Å; Y520-Y606 HydrophobicContact CD1-CD1 4.09Å; Y520-Y606 HydrophobicContact CD1-CG 4Å; Y520-Y606 AromaticContact CE1-CD1 3.73Å; Y520-Y606 HydrophobicContact CE1-CD1 3.73Å; Y520-Y606 HydrophobicContact CE1-CE1 4.4Å; Y520-Y606 HydrophobicContact CE1-CG 4.1Å; N523-Y606 HydrophobicContact CB-CD2 3.7Å; N523-Y606 HydrophobicContact CB-CE2 4.36Å; Y606-E608 PolarHBondContact O-N 3.26Å; Y606-Y609 PolarHBondContact N-O 2.78Å; Y606-Y609 VanDerWaalsContact N-O 3.16Å; Y606-Y609 WeakPolarHBondContact O-CA 3.33Å; Y606-Y609 VanDerWaalsContact O-CB 3.26Å; Y606-Y609 WeakPolarHBondContact O-CB 3.28Å; Y606-Y609 PolarHBondContact O-N 3.48Å
607	D	77.6	Confident	78.3	Confident	119 Å²	119	70.3 Å²	70.3	64%	0.636	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-111.6	-167.1	-58.5	-33.2	0	0	0	110.7
608	E	79.3	Confident	79.2	Confident	182 Å²	182	73.5 Å²	73.5	85%	0.85	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-7.3	177.1	-61	-178.1	175.8	0	0	113.7	Y606	Y606-E608 PolarHBondContact O-N 3.26Å
609	Y	86.5	Confident	80.1	Confident	44 Å²	44	70.9 Å²	70.9	17%	0.173	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.2	-176.7	179.5	-92.8	0	0	0	111.9	I278 Y520 Y606 Y611 P612	I278-Y609 WeakPolarHBondContact CG2-OH 3.24Å; I278-Y609 PolarHBondContact N-OH 3Å; Y520-Y609 AromaticContact CD1-CD1 3.74Å; Y520-Y609 HydrophobicContact CD1-CD1 3.74Å; Y520-Y609 AromaticContact CD1-CE1 3.99Å; Y520-Y609 HydrophobicContact CD1-CE1 3.99Å; Y520-Y609 HydrophobicContact CD1-CG 4.12Å; Y520-Y609 AromaticContact CE1-CD1 3.81Å; Y520-Y609 HydrophobicContact CE1-CD1 3.81Å; Y520-Y609 HydrophobicContact CE1-CD2 4.09Å; Y520-Y609 HydrophobicContact CE1-CE1 4.3Å; Y520-Y609 AromaticContact CE1-CG 3.68Å; Y520-Y609 HydrophobicContact CE1-CG 3.68Å; Y606-Y609 PolarHBondContact N-O 2.78Å; Y606-Y609 VanDerWaalsContact N-O 3.16Å; Y606-Y609 WeakPolarHBondContact O-CA 3.33Å; Y606-Y609 VanDerWaalsContact O-CB 3.26Å; Y606-Y609 WeakPolarHBondContact O-CB 3.28Å; Y606-Y609 PolarHBondContact O-N 3.48Å; Y609-Y611 HydrophobicContact CD1-CD2 4.13Å; Y609-Y611 HydrophobicContact CD1-CE2 4.16Å; Y609-Y611 HydrophobicContact CD1-CG 4.42Å; Y609-Y611 HydrophobicContact CE1-CD1 4.08Å; Y609-Y611 HydrophobicContact CE1-CD2 4.23Å; Y609-Y611 HydrophobicContact CE1-CE1 4.31Å; Y609-Y611 HydrophobicContact CE1-CE2 4.45Å; Y609-Y611 HydrophobicContact CE1-CG 4.05Å; Y609-P612 WeakPolarHBondContact OH-CD 3.4Å
610	V	88.2	Confident	81.2	Confident	94 Å²	94	68.6 Å²	68.6	57%	0.57	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.1	173.5	-177.6	0	0	0	0	109.1	M605	M605-V610 HydrophobicContact CE-CB 4.45Å; M605-V610 HydrophobicContact CE-CG2 3.5Å; M605-V610 VanDerWaalsContact CE-CG2 3.5Å; M605-V610 HydrophobicContact SD-CB 4.38Å; M605-V610 HydrophobicContact SD-CG2 3.86Å
611	Y	90	Very high	82	Confident	8 Å²	8	70.2 Å²	70.2	3%	0.031	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-70.8	140.8	-179.8	-77.2	-99.4	0	0	0	112.2	I278 Y520 N523 L524 T604 Y609 A615	I278-Y611 HydrophobicContact CD1-CE1 4.29Å; Y520-Y611 WeakPolarHBondContact CA-OH 3.37Å; Y520-Y611 WeakPolarHBondContact O-CE1 3.26Å; Y520-Y611 PolarHBondContact O-OH 3.39Å; N523-Y611 WeakPolarHBondContact CB-OH 3.2Å; N523-Y611 PolarHBondContact ND2-OH 2.88Å; L524-Y611 HydrophobicContact CB-CE1 4.05Å; L524-Y611 HydrophobicContact CD1-CD1 4.06Å; L524-Y611 HydrophobicContact CD1-CE1 4.13Å; T604-Y611 HydrophobicContact CG2-CD2 4.03Å; T604-Y611 HydrophobicContact CG2-CE2 3.9Å; T604-Y611 WeakPolarHBondContact O-CD2 3.1Å; Y609-Y611 HydrophobicContact CD1-CD2 4.13Å; Y609-Y611 HydrophobicContact CD1-CE2 4.16Å; Y609-Y611 HydrophobicContact CD1-CG 4.42Å; Y609-Y611 HydrophobicContact CE1-CD1 4.08Å; Y609-Y611 HydrophobicContact CE1-CD2 4.23Å; Y609-Y611 HydrophobicContact CE1-CE1 4.31Å; Y609-Y611 HydrophobicContact CE1-CE2 4.45Å; Y609-Y611 HydrophobicContact CE1-CG 4.05Å; Y611-A615 HydrophobicContact CD1-CB 4.12Å
612	P	92.4	Very high	82.9	Confident	29 Å²	29	68 Å²	68	19%	0.188	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-66.6	148.7	171.1	29.1	-34.9	0	0	0	110.2	I278 Y609 W614 A615 E616	I278-P612 HydrophobicContact CG2-CG 3.71Å; Y609-P612 WeakPolarHBondContact OH-CD 3.4Å; P612-W614 HydrophobicContact CB-CG 4.5Å; P612-W614 HydrophobicContact CG-CD2 4.42Å; P612-W614 HydrophobicContact CG-CZ2 4.12Å; P612-W614 VanDerWaalsContact CG-NE1 3.31Å; P612-W614 PolarHBondContact O-N 3.41Å; P612-W614 VanDerWaalsContact O-N 3.09Å; P612-A615 HydrophobicContact CG-CB 4Å; P612-A615 WeakPolarHBondContact O-CB 3.34Å; P612-A615 PolarHBondContact O-N 3.33Å; P612-E616 PolarHBondContact O-N 3.19Å
613	V	91.1	Very high	83.8	Confident	113 Å²	113	64 Å²	64	69%	0.685	33%	0.327	S	S	*	.	H	α-helix	trans	-54.4	-36.6	-174.4	178.4	0	0	0	0	112.6	A615 E616 V617	V613-A615 VanDerWaalsContact C-N 3.29Å; V613-A615 PolarHBondContact O-N 2.89Å; V613-E616 PolarHBondContact O-N 2.62Å; V613-V617 HydrophobicContact CG1-CG2 4.21Å; V613-V617 VanDerWaalsContact O-CG2 3.27Å; V613-V617 WeakPolarHBondContact O-CG2 3.33Å; V613-V617 PolarHBondContact O-N 3.44Å
614	W	94.2	Very high	84.4	Confident	113 Å²	113	63 Å²	63	43%	0.428	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-35.9	179	69.8	-102.9	0	0	0	112.3	I278 D279 P612 V617 I618	I278-W614 HydrophobicContact CD1-CH2 4.24Å; I278-W614 HydrophobicContact CG1-CH2 4.04Å; I278-W614 HydrophobicContact CG2-CH2 3.91Å; I278-W614 HydrophobicContact CG2-CZ2 3.63Å; D279-W614 VanDerWaalsContact OD1-CE2 3.27Å; D279-W614 VanDerWaalsContact OD1-CZ2 3.24Å; D279-W614 WeakPolarHBondContact OD1-CZ2 3.35Å; D279-W614 PolarHBondContact OD1-NE1 3.1Å; P612-W614 HydrophobicContact CB-CG 4.5Å; P612-W614 HydrophobicContact CG-CD2 4.42Å; P612-W614 HydrophobicContact CG-CZ2 4.12Å; P612-W614 VanDerWaalsContact CG-NE1 3.31Å; P612-W614 PolarHBondContact O-N 3.41Å; P612-W614 VanDerWaalsContact O-N 3.09Å; W614-V617 PolarHBondContact O-N 2.84Å; W614-I618 HydrophobicContact CE3-CD1 3.56Å; W614-I618 HydrophobicContact CE3-CG1 4.48Å; W614-I618 HydrophobicContact CZ3-CD1 3.63Å; W614-I618 WeakPolarHBondContact O-CG1 3.36Å; W614-I618 PolarHBondContact O-N 3.25Å
615	A	92.2	Very high	84.5	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-71.9	-41.1	179.9	0	0	0	0	0	110.4	I278 L524 Y611 P612 V613 I618 G619	I278-A615 HydrophobicContact CD1-CB 4.19Å; I278-A615 HydrophobicContact CG2-CB 4.16Å; L524-A615 HydrophobicContact CD2-CB 4.32Å; Y611-A615 HydrophobicContact CD1-CB 4.12Å; P612-A615 HydrophobicContact CG-CB 4Å; P612-A615 WeakPolarHBondContact O-CB 3.34Å; P612-A615 PolarHBondContact O-N 3.33Å; V613-A615 VanDerWaalsContact C-N 3.29Å; V613-A615 PolarHBondContact O-N 2.89Å; A615-I618 PolarHBondContact O-N 3.39Å; A615-G619 PolarHBondContact O-N 3.26Å
616	E	89.1	Confident	83.8	Confident	47 Å²	47	61.4 Å²	61.4	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-43	171.7	-67.4	-160.5	160.7	0	0	111.7	P612 V613 I618 G619 W620	P612-E616 PolarHBondContact O-N 3.19Å; V613-E616 PolarHBondContact O-N 2.62Å; E616-I618 VanDerWaalsContact C-N 3.31Å; E616-I618 PolarHBondContact O-N 2.78Å; E616-G619 CarbonylContact O-C 3.59Å; E616-G619 WeakPolarHBondContact O-CA 3.29Å; E616-G619 PolarHBondContact O-N 3.11Å; E616-W620 PolarHBondContact O-N 3.49Å
617	V	90.3	Very high	82.9	Confident	73 Å²	73	61.4 Å²	61.4	44%	0.442	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-41.6	176.4	169.3	0	0	0	0	111.1	V613 W614 G619 W620 I621	V613-V617 HydrophobicContact CG1-CG2 4.21Å; V613-V617 VanDerWaalsContact O-CG2 3.27Å; V613-V617 WeakPolarHBondContact O-CG2 3.33Å; V613-V617 PolarHBondContact O-N 3.44Å; W614-V617 PolarHBondContact O-N 2.84Å; V617-G619 VanDerWaalsContact C-N 3.34Å; V617-W620 PolarHBondContact O-N 3.42Å; V617-I621 HydrophobicContact CG1-CD1 3.89Å; V617-I621 HydrophobicContact CG1-CG1 4.47Å; V617-I621 WeakPolarHBondContact O-CB 3.13Å; V617-I621 VanDerWaalsContact O-CG1 3.24Å; V617-I621 WeakPolarHBondContact O-CG1 3.2Å; V617-I621 PolarHBondContact O-N 3.42Å
618	I	89.7	Confident	82.1	Confident	78 Å²	78	60.1 Å²	60.1	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-45.5	172.1	-70.1	173.4	0	0	0	110.6	W614 A615 E616 W620 I621 L622	W614-I618 HydrophobicContact CE3-CD1 3.56Å; W614-I618 HydrophobicContact CE3-CG1 4.48Å; W614-I618 HydrophobicContact CZ3-CD1 3.63Å; W614-I618 WeakPolarHBondContact O-CG1 3.36Å; W614-I618 PolarHBondContact O-N 3.25Å; A615-I618 PolarHBondContact O-N 3.39Å; E616-I618 VanDerWaalsContact C-N 3.31Å; E616-I618 PolarHBondContact O-N 2.78Å; I618-W620 PolarHBondContact O-N 3.45Å; I618-I621 PolarHBondContact O-N 3.26Å; I618-I621 VanDerWaalsContact O-N 3.17Å; I618-L622 HydrophobicContact CG2-CD1 4.05Å; I618-L622 HydrophobicContact CG2-CG 4.36Å; I618-L622 WeakPolarHBondContact O-CG 3.41Å; I618-L622 PolarHBondContact O-N 3.27Å
619	G	88	Confident	81	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.7	-48.9	174.6	0	0	0	0	0	112.4	F528 A615 E616 V617 I621 L622 A623	F528-G619 WeakPolarHBondContact CB-O 3.5Å; F528-G619 VanDerWaalsContact CD1-O 3.28Å; F528-G619 WeakPolarHBondContact CD1-O 3.36Å; F528-G619 VanDerWaalsContact CG-C 3.46Å; A615-G619 PolarHBondContact O-N 3.26Å; E616-G619 CarbonylContact O-C 3.59Å; E616-G619 WeakPolarHBondContact O-CA 3.29Å; E616-G619 PolarHBondContact O-N 3.11Å; V617-G619 VanDerWaalsContact C-N 3.34Å; G619-I621 VanDerWaalsContact C-N 3.35Å; G619-I621 PolarHBondContact O-N 3.03Å; G619-L622 WeakPolarHBondContact O-CB 3.43Å; G619-L622 PolarHBondContact O-N 3.02Å; G619-L622 VanDerWaalsContact O-N 3.14Å; G619-A623 WeakPolarHBondContact O-CB 3.44Å; G619-A623 PolarHBondContact O-N 3.42Å
620	W	86.5	Confident	79.4	Confident	82 Å²	82	53.5 Å²	53.5	31%	0.311	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-38.5	176.2	-74.1	112.8	0	0	0	112.8	F528 W532 Y601 E616 V617 I618 L622 A623 F624	F528-W620 AromaticContact CE1-CD2 3.83Å; F528-W620 HydrophobicContact CE1-CD2 3.83Å; F528-W620 AromaticContact CE1-CE2 3.89Å; F528-W620 HydrophobicContact CE1-CE3 4.28Å; F528-W620 HydrophobicContact CE1-CG 4.02Å; F528-W620 HydrophobicContact CE1-CZ2 4.43Å; W532-W620 HydrophobicContact CH2-CE3 4.07Å; W532-W620 AromaticContact CH2-CZ3 3.55Å; W532-W620 HydrophobicContact CH2-CZ3 3.55Å; W532-W620 AromaticContact CZ2-CE3 3.79Å; W532-W620 HydrophobicContact CZ2-CE3 3.79Å; W532-W620 HydrophobicContact CZ2-CH2 4.06Å; W532-W620 AromaticContact CZ2-CZ3 3.35Å; W532-W620 HydrophobicContact CZ2-CZ3 3.35Å; Y601-W620 HydrophobicContact CE1-CH2 4.17Å; Y601-W620 AromaticContact CE1-CZ2 3.86Å; Y601-W620 HydrophobicContact CE1-CZ2 3.86Å; Y601-W620 AromaticContact CZ-CZ2 3.88Å; E616-W620 PolarHBondContact O-N 3.49Å; V617-W620 PolarHBondContact O-N 3.42Å; I618-W620 PolarHBondContact O-N 3.45Å; W620-L622 VanDerWaalsContact C-N 3.33Å; W620-A623 PolarHBondContact O-N 2.91Å; W620-F624 HydrophobicContact CD2-CE2 4.34Å; W620-F624 AromaticContact CE3-CD2 3.7Å; W620-F624 HydrophobicContact CE3-CD2 3.7Å; W620-F624 AromaticContact CE3-CE2 3.22Å; W620-F624 HydrophobicContact CE3-CE2 3.22Å; W620-F624 HydrophobicContact CE3-CZ 4.18Å; W620-F624 HydrophobicContact CZ3-CD2 4.34Å; W620-F624 AromaticContact CZ3-CE2 3.45Å; W620-F624 HydrophobicContact CZ3-CE2 3.45Å; W620-F624 VanDerWaalsContact CZ3-CE2 3.45Å; W620-F624 AromaticContact CZ3-CZ 3.98Å; W620-F624 HydrophobicContact CZ3-CZ 3.98Å; W620-F624 WeakPolarHBondContact O-CB 3.38Å; W620-F624 WeakPolarHBondContact O-CD2 3.13Å; W620-F624 PolarHBondContact O-N 3.25Å
621	I	85	Confident	78	Confident	103 Å²	103	52.9 Å²	52.9	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-62.9	-40.8	173.3	-70.3	165.5	0	0	0	110.4	V617 I618 G619 S625	V617-I621 HydrophobicContact CG1-CD1 3.89Å; V617-I621 HydrophobicContact CG1-CG1 4.47Å; V617-I621 WeakPolarHBondContact O-CB 3.13Å; V617-I621 VanDerWaalsContact O-CG1 3.24Å; V617-I621 WeakPolarHBondContact O-CG1 3.2Å; V617-I621 PolarHBondContact O-N 3.42Å; I618-I621 PolarHBondContact O-N 3.26Å; I618-I621 VanDerWaalsContact O-N 3.17Å; G619-I621 VanDerWaalsContact C-N 3.35Å; G619-I621 PolarHBondContact O-N 3.03Å; I621-S625 VanDerWaalsContact O-CA 3.29Å; I621-S625 WeakPolarHBondContact O-CA 3.5Å; I621-S625 WeakPolarHBondContact O-CB 3.26Å; I621-S625 PolarHBondContact O-N 3.26Å
622	L	83.1	Confident	76.6	Confident	47 Å²	47	57.2 Å²	57.2	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-68.7	-41.2	176.9	-68.7	172.2	0	0	0	112.4	L180 L525 I618 G619 W620 S625	L180-L622 HydrophobicContact CD1-CD2 4.15Å; L525-L622 HydrophobicContact CD2-CD1 3.69Å; I618-L622 HydrophobicContact CG2-CD1 4.05Å; I618-L622 HydrophobicContact CG2-CG 4.36Å; I618-L622 WeakPolarHBondContact O-CG 3.41Å; I618-L622 PolarHBondContact O-N 3.27Å; G619-L622 WeakPolarHBondContact O-CB 3.43Å; G619-L622 PolarHBondContact O-N 3.02Å; G619-L622 VanDerWaalsContact O-N 3.14Å; W620-L622 VanDerWaalsContact C-N 3.33Å; L622-S625 PolarHBondContact O-OG 2.95Å
623	A	80.1	Confident	74.8	Confident	8 Å²	8	59.7 Å²	59.7	7%	0.066	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-42.1	178.1	0	0	0	0	0	111.7	F528 W532 P533 G619 W620	F528-A623 HydrophobicContact CD1-CB 4.15Å; F528-A623 WeakPolarHBondContact O-CA 3.35Å; F528-A623 WeakPolarHBondContact O-CB 3.21Å; W532-A623 HydrophobicContact CH2-CB 3.67Å; W532-A623 HydrophobicContact CZ2-CB 3.52Å; P533-A623 HydrophobicContact CG-CB 3.83Å; G619-A623 WeakPolarHBondContact O-CB 3.44Å; G619-A623 PolarHBondContact O-N 3.42Å; W620-A623 PolarHBondContact O-N 2.91Å
624	F	75.6	Confident	73.1	Confident	76 Å²	76	56 Å²	56	33%	0.333	29%	0.294	S	S	.	.	H	α-helix	trans	-96	-3	-178.3	-71.3	-63.1	0	0	0	114.8	W532 W620 A626 C627 L628	W532-F624 HydrophobicContact CH2-CE1 4.46Å; W532-F624 HydrophobicContact CH2-CE2 4.34Å; W532-F624 HydrophobicContact CH2-CZ 4.12Å; W620-F624 HydrophobicContact CD2-CE2 4.34Å; W620-F624 AromaticContact CE3-CD2 3.7Å; W620-F624 HydrophobicContact CE3-CD2 3.7Å; W620-F624 AromaticContact CE3-CE2 3.22Å; W620-F624 HydrophobicContact CE3-CE2 3.22Å; W620-F624 HydrophobicContact CE3-CZ 4.18Å; W620-F624 HydrophobicContact CZ3-CD2 4.34Å; W620-F624 AromaticContact CZ3-CE2 3.45Å; W620-F624 HydrophobicContact CZ3-CE2 3.45Å; W620-F624 VanDerWaalsContact CZ3-CE2 3.45Å; W620-F624 AromaticContact CZ3-CZ 3.98Å; W620-F624 HydrophobicContact CZ3-CZ 3.98Å; W620-F624 WeakPolarHBondContact O-CB 3.38Å; W620-F624 WeakPolarHBondContact O-CD2 3.13Å; W620-F624 PolarHBondContact O-N 3.25Å; F624-A626 CarbonylContact O-C 3.53Å; F624-A626 PolarHBondContact O-N 3.38Å; F624-C627 HydrophobicContact CD1-CB 4.11Å; F624-C627 PolarHBondContact O-N 3.06Å; F624-L628 HydrophobicContact CB-CD1 3.75Å; F624-L628 WeakPolarHBondContact O-CB 3.24Å; F624-L628 WeakPolarHBondContact O-CD1 3.43Å; F624-L628 PolarHBondContact O-N 3.4Å
625	S	70.4	Confident	71.6	Confident	37 Å²	37	55.4 Å²	55.4	26%	0.259	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.4	170.7	59.6	0	0	0	0	111.2	L176 I621 L622 P629	L176-S625 VanDerWaalsContact CD2-OG 3.28Å; L176-S625 WeakPolarHBondContact CD2-OG 3.46Å; I621-S625 VanDerWaalsContact O-CA 3.29Å; I621-S625 WeakPolarHBondContact O-CA 3.5Å; I621-S625 WeakPolarHBondContact O-CB 3.26Å; I621-S625 PolarHBondContact O-N 3.26Å; L622-S625 PolarHBondContact O-OG 2.95Å; S625-P629 WeakPolarHBondContact O-CD 3.39Å; S625-P629 WeakPolarHBondContact O-CG 3.42Å
626	A	54.6	Low	70.3	Confident	9 Å²	9	59.5 Å²	59.5	7%	0.074	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-52.5	169.7	0	0	0	0	0	117.7	V173 F624	V173-A626 HydrophobicContact CB-CB 3.73Å; V173-A626 HydrophobicContact CG1-CB 3.29Å; V173-A626 HydrophobicContact CG2-CB 3.04Å; F624-A626 CarbonylContact O-C 3.53Å; F624-A626 PolarHBondContact O-N 3.38Å
627	C	57.4	Low	68.6	Low	28 Å²	28	59.7 Å²	59.7	19%	0.189	32%	0.317	C	S	.	.	H	α-helix	trans	-79	-32	-177.4	-61.1	0	0	0	0	110.1	F624 A630 V631	F624-C627 HydrophobicContact CD1-CB 4.11Å; F624-C627 PolarHBondContact O-N 3.06Å; C627-A630 PolarHBondContact O-N 3.39Å; C627-V631 HydrophobicContact CB-CG2 4.44Å; C627-V631 WeakPolarHBondContact O-CB 3.37Å; C627-V631 WeakPolarHBondContact O-CG2 3.19Å; C627-V631 PolarHBondContact O-N 3.25Å
628	L	61.1	Low	67.3	Low	91 Å²	91	59.6 Å²	59.6	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-56.7	-53.4	-173.8	-109.1	91.8	0	0	0	112.8	F624 A630 V631 I632	F624-L628 HydrophobicContact CB-CD1 3.75Å; F624-L628 WeakPolarHBondContact O-CB 3.24Å; F624-L628 WeakPolarHBondContact O-CD1 3.43Å; F624-L628 PolarHBondContact O-N 3.4Å; L628-A630 VanDerWaalsContact C-N 3.3Å; L628-A630 PolarHBondContact O-N 3.33Å; L628-V631 PolarHBondContact O-N 3.28Å; L628-I632 HydrophobicContact CB-CD1 4.16Å; L628-I632 HydrophobicContact CD2-CD1 3.83Å; L628-I632 HydrophobicContact CG-CD1 4.08Å; L628-I632 WeakPolarHBondContact O-CB 3.5Å; L628-I632 WeakPolarHBondContact O-CD1 3.12Å; L628-I632 WeakPolarHBondContact O-CG1 3.37Å; L628-I632 PolarHBondContact O-N 3.49Å
629	P	55.1	Low	66.4	Low	66 Å²	66	60.6 Å²	60.6	43%	0.429	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-39.4	179.1	-24.4	34.7	0	0	0	112.5	S625 W633	S625-P629 WeakPolarHBondContact O-CD 3.39Å; S625-P629 WeakPolarHBondContact O-CG 3.42Å; P629-W633 WeakPolarHBondContact O-CB 3.42Å; P629-W633 PolarHBondContact O-N 2.93Å
630	A	53.3	Low	65.4	Low	22 Å²	22	63.7 Å²	63.7	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-47.1	178	0	0	0	0	0	111.7	V166 C627 L628 A634	V166-A630 WeakPolarHBondContact O-CA 3.41Å; V166-A630 VanDerWaalsContact O-CB 3.27Å; V166-A630 WeakPolarHBondContact O-CB 3.34Å; C627-A630 PolarHBondContact O-N 3.39Å; L628-A630 VanDerWaalsContact C-N 3.3Å; L628-A630 PolarHBondContact O-N 3.33Å; A630-A634 WeakPolarHBondContact O-CB 3.3Å; A630-A634 PolarHBondContact O-N 2.99Å
631	V	58.5	Low	64.2	Low	80 Å²	80	60.6 Å²	60.6	49%	0.485	33%	0.327	S	S	.	.	H	α-helix	trans	-68.4	-51	179.5	173.6	0	0	0	0	110.9	C627 L628 W633 A634 L635	C627-V631 HydrophobicContact CB-CG2 4.44Å; C627-V631 WeakPolarHBondContact O-CB 3.37Å; C627-V631 WeakPolarHBondContact O-CG2 3.19Å; C627-V631 PolarHBondContact O-N 3.25Å; L628-V631 PolarHBondContact O-N 3.28Å; V631-W633 VanDerWaalsContact C-N 3.29Å; V631-W633 PolarHBondContact O-N 3.17Å; V631-A634 PolarHBondContact O-N 3.13Å; V631-L635 HydrophobicContact CG1-CD1 3.83Å; V631-L635 HydrophobicContact CG1-CG 4.36Å; V631-L635 WeakPolarHBondContact O-CB 3.39Å; V631-L635 WeakPolarHBondContact O-CG 3.37Å; V631-L635 PolarHBondContact O-N 3.41Å
632	I	61.2	Low	63.4	Low	99 Å²	99	60.3 Å²	60.3	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-57.2	-44.7	179.6	-70.4	167.7	0	0	0	110.2	L628 F636	L628-I632 HydrophobicContact CB-CD1 4.16Å; L628-I632 HydrophobicContact CD2-CD1 3.83Å; L628-I632 HydrophobicContact CG-CD1 4.08Å; L628-I632 WeakPolarHBondContact O-CB 3.5Å; L628-I632 WeakPolarHBondContact O-CD1 3.12Å; L628-I632 WeakPolarHBondContact O-CG1 3.37Å; L628-I632 PolarHBondContact O-N 3.49Å; I632-F636 WeakPolarHBondContact O-CB 3.32Å; I632-F636 PolarHBondContact O-N 2.96Å
633	W	55.2	Low	63.1	Low	81 Å²	81	63.2 Å²	63.2	31%	0.307	35%	0.346	S	S	.	.	H	α-helix	trans	-78.8	-33.7	-178.8	-171.8	-81.9	0	0	0	113.3	N164 P165 V166 P629 V631 L635 F636 K637	N164-W633 PolarHBondContact OD1-NE1 3.12Å; P165-W633 HydrophobicContact CG-CD2 3.71Å; P165-W633 HydrophobicContact CG-CE3 4.13Å; P165-W633 HydrophobicContact CG-CG 4.05Å; P165-W633 HydrophobicContact CG-CH2 4.43Å; P165-W633 HydrophobicContact CG-CZ2 4.04Å; P165-W633 HydrophobicContact CG-CZ3 4.48Å; V166-W633 HydrophobicContact CG2-CG 4.27Å; P629-W633 WeakPolarHBondContact O-CB 3.42Å; P629-W633 PolarHBondContact O-N 2.93Å; V631-W633 VanDerWaalsContact C-N 3.29Å; V631-W633 PolarHBondContact O-N 3.17Å; W633-L635 VanDerWaalsContact C-N 3.3Å; W633-L635 PolarHBondContact O-N 3.44Å; W633-F636 HydrophobicContact CD2-CD1 4.02Å; W633-F636 AromaticContact CE3-CD1 3.71Å; W633-F636 HydrophobicContact CE3-CD1 3.71Å; W633-F636 HydrophobicContact CE3-CE1 4.26Å; W633-F636 HydrophobicContact CE3-CG 4.46Å; W633-F636 AromaticContact CH2-CD1 3.95Å; W633-F636 HydrophobicContact CH2-CD1 3.95Å; W633-F636 AromaticContact CH2-CE1 3.76Å; W633-F636 HydrophobicContact CH2-CE1 3.76Å; W633-F636 HydrophobicContact CZ2-CD1 4.24Å; W633-F636 HydrophobicContact CZ2-CE1 4.32Å; W633-F636 AromaticContact CZ3-CD1 3.66Å; W633-F636 HydrophobicContact CZ3-CD1 3.66Å; W633-F636 AromaticContact CZ3-CE1 3.72Å; W633-F636 HydrophobicContact CZ3-CE1 3.72Å; W633-F636 PolarHBondContact O-N 3.49Å; W633-K637 WeakPolarHBondContact O-CB 3.1Å; W633-K637 PolarHBondContact O-N 3.25Å
634	A	54.7	Low	62.3	Low	35 Å²	35	65.6 Å²	65.6	29%	0.289	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-45.6	169.4	0	0	0	0	0	110.6	V166 A630 V631 K637 V638	V166-A634 HydrophobicContact CG1-CB 4.08Å; A630-A634 WeakPolarHBondContact O-CB 3.3Å; A630-A634 PolarHBondContact O-N 2.99Å; V631-A634 PolarHBondContact O-N 3.13Å; A634-K637 PolarHBondContact O-N 3.38Å; A634-V638 VanDerWaalsContact O-CG2 3.32Å; A634-V638 WeakPolarHBondContact O-CG2 3.41Å; A634-V638 PolarHBondContact O-N 2.99Å
635	L	63.3	Low	61.1	Low	101 Å²	101	65 Å²	65	53%	0.529	38%	0.378	S	S	.	.	H	α-helix	trans	-61.3	-45.9	173	-69.9	171	0	0	0	111.6	V631 W633 K637 V638 L639	V631-L635 HydrophobicContact CG1-CD1 3.83Å; V631-L635 HydrophobicContact CG1-CG 4.36Å; V631-L635 WeakPolarHBondContact O-CB 3.39Å; V631-L635 WeakPolarHBondContact O-CG 3.37Å; V631-L635 PolarHBondContact O-N 3.41Å; W633-L635 VanDerWaalsContact C-N 3.3Å; W633-L635 PolarHBondContact O-N 3.44Å; L635-K637 VanDerWaalsContact C-N 3.32Å; L635-K637 PolarHBondContact O-N 3.32Å; L635-V638 PolarHBondContact O-N 3.13Å; L635-L639 WeakPolarHBondContact O-CB 3.34Å; L635-L639 VanDerWaalsContact O-CG 3.27Å; L635-L639 WeakPolarHBondContact O-CG 3.23Å; L635-L639 PolarHBondContact O-N 2.94Å
636	F	63.6	Low	60.1	Low	87 Å²	87	65.2 Å²	65.2	38%	0.382	38%	0.379	S	S	.	.	H	α-helix	trans	-59.5	-39.6	175.6	178.7	-109.9	0	0	0	112.5	I632 W633 L639 L640	I632-F636 WeakPolarHBondContact O-CB 3.32Å; I632-F636 PolarHBondContact O-N 2.96Å; W633-F636 HydrophobicContact CD2-CD1 4.02Å; W633-F636 AromaticContact CE3-CD1 3.71Å; W633-F636 HydrophobicContact CE3-CD1 3.71Å; W633-F636 HydrophobicContact CE3-CE1 4.26Å; W633-F636 HydrophobicContact CE3-CG 4.46Å; W633-F636 AromaticContact CH2-CD1 3.95Å; W633-F636 HydrophobicContact CH2-CD1 3.95Å; W633-F636 AromaticContact CH2-CE1 3.76Å; W633-F636 HydrophobicContact CH2-CE1 3.76Å; W633-F636 HydrophobicContact CZ2-CD1 4.24Å; W633-F636 HydrophobicContact CZ2-CE1 4.32Å; W633-F636 AromaticContact CZ3-CD1 3.66Å; W633-F636 HydrophobicContact CZ3-CD1 3.66Å; W633-F636 AromaticContact CZ3-CE1 3.72Å; W633-F636 HydrophobicContact CZ3-CE1 3.72Å; W633-F636 PolarHBondContact O-N 3.49Å; F636-L639 PolarHBondContact O-N 3.29Å; F636-L640 HydrophobicContact CD1-CD1 3.8Å; F636-L640 HydrophobicContact CD1-CG 4.31Å; F636-L640 HydrophobicContact CE1-CD1 3.25Å; F636-L640 HydrophobicContact CE1-CG 3.92Å; F636-L640 HydrophobicContact CE2-CD1 4.38Å; F636-L640 HydrophobicContact CE2-CD2 4.46Å; F636-L640 HydrophobicContact CE2-CG 4.17Å; F636-L640 HydrophobicContact CZ-CD1 3.58Å; F636-L640 HydrophobicContact CZ-CD2 4.12Å; F636-L640 HydrophobicContact CZ-CG 3.84Å; F636-L640 WeakPolarHBondContact O-CB 3.35Å; F636-L640 WeakPolarHBondContact O-CG 3.48Å; F636-L640 PolarHBondContact O-N 2.93Å
637	K	52.8	Low	59.6	Low	51 Å²	51	73.1 Å²	73.1	22%	0.222	41%	0.412	C	S	.	.	H	α-helix	trans	-68.2	-43.5	175.2	-89.4	-71.2	-175.7	-175.5	0	112	F149 W633 A634 L635 L639 L640 I641	F149-K637 HydrophobicContact CD1-CG 4.49Å; W633-K637 WeakPolarHBondContact O-CB 3.1Å; W633-K637 PolarHBondContact O-N 3.25Å; A634-K637 PolarHBondContact O-N 3.38Å; L635-K637 VanDerWaalsContact C-N 3.32Å; L635-K637 PolarHBondContact O-N 3.32Å; K637-L639 VanDerWaalsContact C-N 3.29Å; K637-L639 PolarHBondContact O-N 3.43Å; K637-L640 PolarHBondContact O-N 3.48Å; K637-I641 WeakPolarHBondContact O-CB 3.23Å; K637-I641 WeakPolarHBondContact O-CD1 3.41Å; K637-I641 WeakPolarHBondContact O-CG1 3.32Å; K637-I641 PolarHBondContact O-N 3Å
638	V	63.8	Low	59.2	Low	71 Å²	71	77.8 Å²	77.8	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-57.9	-46.4	172.6	170.7	0	0	0	0	109.5	A634 L635 I641 L642	A634-V638 VanDerWaalsContact O-CG2 3.32Å; A634-V638 WeakPolarHBondContact O-CG2 3.41Å; A634-V638 PolarHBondContact O-N 2.99Å; L635-V638 PolarHBondContact O-N 3.13Å; V638-I641 PolarHBondContact O-N 3.2Å; V638-L642 HydrophobicContact CG1-CD1 3.82Å; V638-L642 HydrophobicContact CG1-CG 4.31Å; V638-L642 WeakPolarHBondContact O-CB 3.21Å; V638-L642 WeakPolarHBondContact O-CG 3.1Å; V638-L642 PolarHBondContact O-N 3.23Å
639	L	71.2	Confident	58.3	Low	99 Å²	99	77.5 Å²	77.5	52%	0.518	44%	0.435	S	S	.	.	H	α-helix	trans	-61.7	-43.1	175.4	-72.2	167.3	0	0	0	113	L635 F636 K637 I641 L642 T643	L635-L639 WeakPolarHBondContact O-CB 3.34Å; L635-L639 VanDerWaalsContact O-CG 3.27Å; L635-L639 WeakPolarHBondContact O-CG 3.23Å; L635-L639 PolarHBondContact O-N 2.94Å; F636-L639 PolarHBondContact O-N 3.29Å; K637-L639 VanDerWaalsContact C-N 3.29Å; K637-L639 PolarHBondContact O-N 3.43Å; L639-I641 VanDerWaalsContact C-N 3.3Å; L639-I641 PolarHBondContact O-N 3.02Å; L639-L642 PolarHBondContact O-N 3.38Å; L639-T643 WeakPolarHBondContact O-CB 3.43Å; L639-T643 VanDerWaalsContact O-CG2 3.28Å; L639-T643 WeakPolarHBondContact O-CG2 3.5Å; L639-T643 PolarHBondContact O-N 3.11Å; L639-T643 PolarHBondContact O-OG1 3.15Å
640	L	67.4	Low	57.6	Low	64 Å²	64	80.2 Å²	80.2	34%	0.335	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-36.6	174.7	-82.4	179.1	0	0	0	112.2	F636 K637 T643 S644	F636-L640 HydrophobicContact CD1-CD1 3.8Å; F636-L640 HydrophobicContact CD1-CG 4.31Å; F636-L640 HydrophobicContact CE1-CD1 3.25Å; F636-L640 HydrophobicContact CE1-CG 3.92Å; F636-L640 HydrophobicContact CE2-CD1 4.38Å; F636-L640 HydrophobicContact CE2-CD2 4.46Å; F636-L640 HydrophobicContact CE2-CG 4.17Å; F636-L640 HydrophobicContact CZ-CD1 3.58Å; F636-L640 HydrophobicContact CZ-CD2 4.12Å; F636-L640 HydrophobicContact CZ-CG 3.84Å; F636-L640 WeakPolarHBondContact O-CB 3.35Å; F636-L640 WeakPolarHBondContact O-CG 3.48Å; F636-L640 PolarHBondContact O-N 2.93Å; K637-L640 PolarHBondContact O-N 3.48Å; L640-T643 VanDerWaalsContact CA-OG1 3.31Å; L640-T643 WeakPolarHBondContact CA-OG1 3.2Å; L640-T643 PolarHBondContact O-OG1 2.9Å; L640-S644 WeakPolarHBondContact O-CB 3.34Å; L640-S644 PolarHBondContact O-N 3.27Å; L640-S644 PolarHBondContact O-OG 2.94Å
641	I	59.8	Low	57.1	Low	17 Å²	17	84.1 Å²	84.1	9%	0.087	46%	0.455	C	S	.	.	H	α-helix	trans	-72	-40.9	177.6	-68.3	168.8	0	0	0	110.1	K637 V638 L639 Q649 Y650 V653	K637-I641 WeakPolarHBondContact O-CB 3.23Å; K637-I641 WeakPolarHBondContact O-CD1 3.41Å; K637-I641 WeakPolarHBondContact O-CG1 3.32Å; K637-I641 PolarHBondContact O-N 3Å; V638-I641 PolarHBondContact O-N 3.2Å; L639-I641 VanDerWaalsContact C-N 3.3Å; L639-I641 PolarHBondContact O-N 3.02Å; I641-Q649 HydrophobicContact CG1-CB 4.31Å; I641-Q649 HydrophobicContact CG2-CB 4.4Å; I641-Y650 HydrophobicContact CG2-CD2 4.05Å; I641-V653 HydrophobicContact CD1-CB 4.47Å; I641-V653 HydrophobicContact CD1-CG2 3.53Å
642	L	70.1	Confident	56.7	Low	98 Å²	98	83.3 Å²	83.3	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-39.1	174.2	-69.7	170.2	0	0	0	111.9	V638 L639 Y650	V638-L642 HydrophobicContact CG1-CD1 3.82Å; V638-L642 HydrophobicContact CG1-CG 4.31Å; V638-L642 WeakPolarHBondContact O-CB 3.21Å; V638-L642 WeakPolarHBondContact O-CG 3.1Å; V638-L642 PolarHBondContact O-N 3.23Å; L639-L642 PolarHBondContact O-N 3.38Å; L642-Y650 HydrophobicContact CD2-CE2 4.09Å
643	T	75.5	Confident	55.9	Low	107 Å²	107	80.6 Å²	80.6	66%	0.656	44%	0.441	S	S	*	.	H	α-helix	trans	-84.2	-31.7	-177.2	50.9	0	0	0	0	114.2	L639 L640 G645	L639-T643 WeakPolarHBondContact O-CB 3.43Å; L639-T643 VanDerWaalsContact O-CG2 3.28Å; L639-T643 WeakPolarHBondContact O-CG2 3.5Å; L639-T643 PolarHBondContact O-N 3.11Å; L639-T643 PolarHBondContact O-OG1 3.15Å; L640-T643 VanDerWaalsContact CA-OG1 3.31Å; L640-T643 WeakPolarHBondContact CA-OG1 3.2Å; L640-T643 PolarHBondContact O-OG1 2.9Å; T643-G645 VanDerWaalsContact C-N 3.26Å; T643-G645 PolarHBondContact O-N 3.35Å
644	S	63.4	Low	55.3	Low	59 Å²	59	79 Å²	79	41%	0.413	44%	0.442	S	S	.	.	S	Bend	trans	-77.6	-4.4	-174.6	65.5	0	0	0	0	114.8	L640 S646	L640-S644 WeakPolarHBondContact O-CB 3.34Å; L640-S644 PolarHBondContact O-N 3.27Å; L640-S644 PolarHBondContact O-OG 2.94Å; S644-S646 PolarHBondContact O-N 3.47Å; S644-S646 PolarHBondContact OG-OG 2.95Å
645	G	50.5	Low	54.8	Low	63 Å²	63	82.8 Å²	82.8	65%	0.649	45%	0.454	S	S	*	.			trans	55.7	10.7	177	0	0	0	0	0	114.9	T643 K647	T643-G645 VanDerWaalsContact C-N 3.26Å; T643-G645 PolarHBondContact O-N 3.35Å; G645-K647 PolarHBondContact O-N 3.11Å; G645-K647 VanDerWaalsContact O-N 3.14Å
646	S	50.3	Low	53.9	Low	41 Å²	41	79.5 Å²	79.5	29%	0.287	44%	0.439	S	S	.	.			trans	-85.5	97.6	-168.1	58.5	0	0	0	0	109.5	S644 V648 Q649 Y650	S644-S646 PolarHBondContact O-N 3.47Å; S644-S646 PolarHBondContact OG-OG 2.95Å; S646-V648 PolarHBondContact O-N 3.38Å; S646-Q649 PolarHBondContact O-N 2.69Å; S646-Q649 PolarHBondContact OG-OE1 3.06Å; S646-Y650 PolarHBondContact O-N 2.68Å
647	K	42.9	Very low	52.9	Low	175 Å²	175	79.9 Å²	79.9	76%	0.761	45%	0.445	S	S	*	.	H	α-helix	trans	-46.6	-31.6	-179.3	-74.6	-178.4	176.6	178.2	0	113.8	G645 L651	G645-K647 PolarHBondContact O-N 3.11Å; G645-K647 VanDerWaalsContact O-N 3.14Å; K647-L651 WeakPolarHBondContact O-CD1 3.28Å; K647-L651 PolarHBondContact O-N 3.05Å; K647-L651 VanDerWaalsContact O-N 3.12Å
648	V	49	Very low	52.4	Low	127 Å²	127	82.1 Å²	82.1	77%	0.77	46%	0.457	S	S	*	.	H	α-helix	trans	-69.6	-35.3	-179.6	-177	0	0	0	0	112.8	S646	S646-V648 PolarHBondContact O-N 3.38Å
649	Q	43.1	Very low	51.6	Low	84 Å²	84	85.1 Å²	85.1	39%	0.393	47%	0.466	S	S	.	.	H	α-helix	trans	-81.9	-33.1	175	-80.7	179.9	-13.4	0	0	112.3	I641 S646 L651 S652 V653	I641-Q649 HydrophobicContact CG1-CB 4.31Å; I641-Q649 HydrophobicContact CG2-CB 4.4Å; S646-Q649 PolarHBondContact O-N 2.69Å; S646-Q649 PolarHBondContact OG-OE1 3.06Å; Q649-L651 VanDerWaalsContact C-N 3.32Å; Q649-L651 PolarHBondContact O-N 3.31Å; Q649-S652 PolarHBondContact O-N 3.47Å; Q649-S652 PolarHBondContact O-OG 3.22Å; Q649-V653 PolarHBondContact O-N 3.15Å
650	Y	39.9	Very low	50.1	Low	123 Å²	123	85.6 Å²	85.6	48%	0.482	47%	0.468	S	S	.	.	H	α-helix	trans	-60.3	-43.2	175.3	-138.6	-86	0	0	0	111.2	I641 L642 S646 S652 V653 S654	I641-Y650 HydrophobicContact CG2-CD2 4.05Å; L642-Y650 HydrophobicContact CD2-CE2 4.09Å; S646-Y650 PolarHBondContact O-N 2.68Å; Y650-S652 PolarHBondContact O-N 3.48Å; Y650-V653 PolarHBondContact O-N 3.42Å; Y650-S654 WeakPolarHBondContact O-CB 3.38Å; Y650-S654 PolarHBondContact O-N 3.44Å; Y650-S654 PolarHBondContact O-OG 3.28Å; Y650-S654 VanDerWaalsContact O-OG 3.13Å
651	L	42.9	Very low	48.8	Very low	104 Å²	104	87.1 Å²	87.1	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40.1	177.2	-96.3	147.5	0	0	0	113.2	K647 Q649 S654 Q655	K647-L651 WeakPolarHBondContact O-CD1 3.28Å; K647-L651 PolarHBondContact O-N 3.05Å; K647-L651 VanDerWaalsContact O-N 3.12Å; Q649-L651 VanDerWaalsContact C-N 3.32Å; Q649-L651 PolarHBondContact O-N 3.31Å; L651-S654 PolarHBondContact O-OG 2.64Å; L651-Q655 WeakPolarHBondContact O-CB 3.39Å; L651-Q655 VanDerWaalsContact O-CG 3.29Å; L651-Q655 WeakPolarHBondContact O-CG 3.37Å; L651-Q655 PolarHBondContact O-N 3.41Å
652	S	49.7	Very low	48	Very low	63 Å²	63	89.6 Å²	89.6	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-71.5	-38.8	-179.9	58.9	0	0	0	0	112.8	Q649 Y650 C656	Q649-S652 PolarHBondContact O-N 3.47Å; Q649-S652 PolarHBondContact O-OG 3.22Å; Y650-S652 PolarHBondContact O-N 3.48Å; S652-C656 WeakPolarHBondContact O-CB 3.45Å; S652-C656 PolarHBondContact O-N 2.75Å
653	V	44	Very low	46.7	Very low	42 Å²	42	87.4 Å²	87.4	26%	0.255	49%	0.486	S	S	.	.	H	α-helix	trans	-78.2	-38.3	177.7	173.9	0	0	0	0	111.1	I641 Q649 Y650 Q655 C656 L657	I641-V653 HydrophobicContact CD1-CB 4.47Å; I641-V653 HydrophobicContact CD1-CG2 3.53Å; Q649-V653 PolarHBondContact O-N 3.15Å; Y650-V653 PolarHBondContact O-N 3.42Å; V653-Q655 VanDerWaalsContact C-N 3.34Å; V653-C656 PolarHBondContact O-N 3.15Å; V653-L657 HydrophobicContact CG1-CD1 4.1Å; V653-L657 WeakPolarHBondContact O-CB 3.49Å; V653-L657 PolarHBondContact O-N 3.47Å
654	S	42.5	Very low	44.8	Very low	47 Å²	47	84.3 Å²	84.3	33%	0.329	48%	0.475	S	S	.	.	H	α-helix	trans	-64.6	-39	173.4	76.6	0	0	0	0	111.3	Y650 L651 C656 M658	Y650-S654 WeakPolarHBondContact O-CB 3.38Å; Y650-S654 PolarHBondContact O-N 3.44Å; Y650-S654 PolarHBondContact O-OG 3.28Å; Y650-S654 VanDerWaalsContact O-OG 3.13Å; L651-S654 PolarHBondContact O-OG 2.64Å; S654-C656 VanDerWaalsContact C-N 3.34Å; S654-M658 WeakPolarHBondContact O-CB 3.5Å; S654-M658 WeakPolarHBondContact O-CG 3.5Å; S654-M658 PolarHBondContact O-N 2.81Å
655	Q	46	Very low	43.5	Very low	115 Å²	115	86 Å²	86	54%	0.537	48%	0.48	S	S	.	.	H	α-helix	trans	-60.8	-43.6	171.1	-85.6	178.3	-43.2	0	0	111.2	L651 V653 M658 E659	L651-Q655 WeakPolarHBondContact O-CB 3.39Å; L651-Q655 VanDerWaalsContact O-CG 3.29Å; L651-Q655 WeakPolarHBondContact O-CG 3.37Å; L651-Q655 PolarHBondContact O-N 3.41Å; V653-Q655 VanDerWaalsContact C-N 3.34Å; Q655-M658 CarbonylContact O-C 3.56Å; Q655-M658 PolarHBondContact O-N 3.36Å; Q655-E659 WeakPolarHBondContact O-CB 3.35Å; Q655-E659 VanDerWaalsContact O-CG 3.28Å; Q655-E659 WeakPolarHBondContact O-CG 3.27Å; Q655-E659 PolarHBondContact O-N 2.97Å
656	C	43	Very low	43.1	Very low	33 Å²	33	89 Å²	89	22%	0.223	48%	0.476	C	S	.	.	H	α-helix	trans	-68.3	-44	179.1	-167.1	0	0	0	0	112.8	S652 V653 S654 M658 E659 I660	S652-C656 WeakPolarHBondContact O-CB 3.45Å; S652-C656 PolarHBondContact O-N 2.75Å; V653-C656 PolarHBondContact O-N 3.15Å; S654-C656 VanDerWaalsContact C-N 3.34Å; C656-M658 VanDerWaalsContact C-N 3.34Å; C656-M658 PolarHBondContact O-N 3.11Å; C656-E659 WeakPolarHBondContact O-CB 3.45Å; C656-E659 PolarHBondContact O-N 3.34Å; C656-E659 VanDerWaalsContact O-N 3.15Å; C656-I660 VanDerWaalsContact O-CG1 3.28Å; C656-I660 WeakPolarHBondContact O-CG1 3.35Å; C656-I660 PolarHBondContact O-N 3.19Å
657	L	42.7	Very low	42.5	Very low	95 Å²	95	91.7 Å²	91.7	50%	0.497	48%	0.484	S	S	.	.	H	α-helix	trans	-62.8	-40.9	173.1	-107.6	152.5	0	0	0	111	V653 E659 I660 L661	V653-L657 HydrophobicContact CG1-CD1 4.1Å; V653-L657 WeakPolarHBondContact O-CB 3.49Å; V653-L657 PolarHBondContact O-N 3.47Å; L657-E659 VanDerWaalsContact C-N 3.34Å; L657-I660 PolarHBondContact O-N 3.39Å; L657-L661 HydrophobicContact CD2-CD1 4.31Å; L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.49Å; L657-L661 WeakPolarHBondContact O-CG 3.32Å; L657-L661 PolarHBondContact O-N 3.49Å
658	M	42.3	Very low	42.2	Very low	98 Å²	98	85.9 Å²	85.9	48%	0.483	47%	0.466	S	S	.	.	H	α-helix	trans	-66.2	-35	172.7	-74.3	-65	-65.7	0	0	111.7	S654 Q655 C656 N662	S654-M658 WeakPolarHBondContact O-CB 3.5Å; S654-M658 WeakPolarHBondContact O-CG 3.5Å; S654-M658 PolarHBondContact O-N 2.81Å; Q655-M658 CarbonylContact O-C 3.56Å; Q655-M658 PolarHBondContact O-N 3.36Å; C656-M658 VanDerWaalsContact C-N 3.34Å; C656-M658 PolarHBondContact O-N 3.11Å; M658-N662 WeakPolarHBondContact O-CA 3.33Å; M658-N662 WeakPolarHBondContact O-CB 3.48Å; M658-N662 PolarHBondContact O-N 2.78Å; M658-N662 PolarHBondContact O-ND2 2.92Å; M658-N662 VanDerWaalsContact O-ND2 3.1Å
659	E	46.9	Very low	41.6	Very low	133 Å²	133	86.1 Å²	86.1	62%	0.621	46%	0.457	S	S	*	.	H	α-helix	trans	-67.4	-41.4	173.6	-80.3	175.1	-178.5	0	0	111.4	Q655 C656 L657 A663	Q655-E659 WeakPolarHBondContact O-CB 3.35Å; Q655-E659 VanDerWaalsContact O-CG 3.28Å; Q655-E659 WeakPolarHBondContact O-CG 3.27Å; Q655-E659 PolarHBondContact O-N 2.97Å; C656-E659 WeakPolarHBondContact O-CB 3.45Å; C656-E659 PolarHBondContact O-N 3.34Å; C656-E659 VanDerWaalsContact O-N 3.15Å; L657-E659 VanDerWaalsContact C-N 3.34Å; E659-A663 WeakPolarHBondContact O-CB 3.5Å; E659-A663 PolarHBondContact O-N 3.45Å
660	I	40.5	Very low	41.4	Very low	109 Å²	109	87.1 Å²	87.1	56%	0.559	47%	0.465	S	S	*	.	H	α-helix	trans	-65.1	-46.8	174.7	-66.9	165.1	0	0	0	110.6	C656 L657 A663 G664	C656-I660 VanDerWaalsContact O-CG1 3.28Å; C656-I660 WeakPolarHBondContact O-CG1 3.35Å; C656-I660 PolarHBondContact O-N 3.19Å; L657-I660 PolarHBondContact O-N 3.39Å; I660-A663 PolarHBondContact O-N 3.25Å; I660-G664 PolarHBondContact O-N 2.9Å; I660-G664 VanDerWaalsContact O-N 3.11Å
661	L	41	Very low	41.5	Very low	96 Å²	96	88.4 Å²	88.4	50%	0.503	47%	0.473	S	S	.	.	H	α-helix	trans	-67.9	-39.5	177.8	-70.8	168.9	0	0	0	111.8	L657 G664 N665	L657-L661 HydrophobicContact CD2-CD1 4.31Å; L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.49Å; L657-L661 WeakPolarHBondContact O-CG 3.32Å; L657-L661 PolarHBondContact O-N 3.49Å; L661-G664 WeakPolarHBondContact O-CA 3.19Å; L661-G664 PolarHBondContact O-N 3.1Å; L661-N665 PolarHBondContact O-N 3.07Å
662	N	41.9	Very low	41.3	Very low	69 Å²	69	89.3 Å²	89.3	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-70.6	-31.8	175.8	-73.1	-24.5	0	0	0	111.8	M658 G664 N665 H666	M658-N662 WeakPolarHBondContact O-CA 3.33Å; M658-N662 WeakPolarHBondContact O-CB 3.48Å; M658-N662 PolarHBondContact O-N 2.78Å; M658-N662 PolarHBondContact O-ND2 2.92Å; M658-N662 VanDerWaalsContact O-ND2 3.1Å; N662-G664 VanDerWaalsContact C-N 3.3Å; N662-N665 PolarHBondContact O-N 3.47Å; N662-H666 WeakPolarHBondContact O-CB 3.35Å; N662-H666 PolarHBondContact O-N 3.15Å
663	A	43.8	Very low	41	Very low	53 Å²	53	89.8 Å²	89.8	44%	0.438	48%	0.475	S	S	.	.	H	α-helix	trans	-63.1	-38.7	169.9	0	0	0	0	0	111	E659 I660 Q667	E659-A663 WeakPolarHBondContact O-CB 3.5Å; E659-A663 PolarHBondContact O-N 3.45Å; I660-A663 PolarHBondContact O-N 3.25Å; A663-Q667 PolarHBondContact O-N 3.04Å
664	G	34.4	Very low	41	Very low	41 Å²	41	90.1 Å²	90.1	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-45.5	170.2	0	0	0	0	0	113.4	I660 L661 N662 Q667 S668	I660-G664 PolarHBondContact O-N 2.9Å; I660-G664 VanDerWaalsContact O-N 3.11Å; L661-G664 WeakPolarHBondContact O-CA 3.19Å; L661-G664 PolarHBondContact O-N 3.1Å; N662-G664 VanDerWaalsContact C-N 3.3Å; G664-Q667 WeakPolarHBondContact O-CB 3.41Å; G664-Q667 PolarHBondContact O-N 3.49Å; G664-S668 PolarHBondContact O-N 2.86Å; G664-S668 VanDerWaalsContact O-N 3.17Å
665	N	37.1	Very low	41	Very low	96 Å²	96	97.3 Å²	97.3	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-71.1	-32.4	180	-77.2	-15.4	0	0	0	113.5	L661 N662 Q667 S668 K669	L661-N665 PolarHBondContact O-N 3.07Å; N662-N665 PolarHBondContact O-N 3.47Å; N665-Q667 VanDerWaalsContact C-N 3.26Å; N665-Q667 PolarHBondContact O-N 2.86Å; N665-S668 PolarHBondContact O-N 2.79Å; N665-K669 PolarHBondContact O-N 3.46Å
666	H	40.6	Very low	40.9	Very low	125 Å²	125	94.5 Å²	94.5	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-31.9	172	-100.3	-73.9	0	0	0	111.8	N662 N670	N662-H666 WeakPolarHBondContact O-CB 3.35Å; N662-H666 PolarHBondContact O-N 3.15Å; H666-N670 VanDerWaalsContact O-CB 3.31Å; H666-N670 WeakPolarHBondContact O-CB 3.49Å; H666-N670 PolarHBondContact O-N 3.17Å; H666-N670 PolarHBondContact O-ND2 3.29Å
667	Q	38.1	Very low	40.9	Very low	97 Å²	97	97.9 Å²	97.9	45%	0.453	51%	0.514	S	S	.	.	H	α-helix	trans	-71.4	-37.5	172	-73.3	-158.1	-13.5	0	0	112.8	A663 G664 N665 K671	A663-Q667 PolarHBondContact O-N 3.04Å; G664-Q667 WeakPolarHBondContact O-CB 3.41Å; G664-Q667 PolarHBondContact O-N 3.49Å; N665-Q667 VanDerWaalsContact C-N 3.26Å; N665-Q667 PolarHBondContact O-N 2.86Å; Q667-K671 WeakPolarHBondContact O-CG 3.39Å; Q667-K671 PolarHBondContact O-N 3.01Å; Q667-K671 VanDerWaalsContact O-N 3.09Å
668	S	36.8	Very low	41.1	Very low	54 Å²	54	100 Å²	100	38%	0.378	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-48.8	172.6	143.3	0	0	0	0	111.2	G664 N665 N670 K671 E672	G664-S668 PolarHBondContact O-N 2.86Å; G664-S668 VanDerWaalsContact O-N 3.17Å; N665-S668 PolarHBondContact O-N 2.79Å; S668-N670 PolarHBondContact O-N 3.4Å; S668-K671 WeakPolarHBondContact O-CB 3.39Å; S668-K671 PolarHBondContact O-N 3.22Å; S668-K671 VanDerWaalsContact O-N 3.11Å; S668-E672 PolarHBondContact O-N 3.09Å
669	K	37.6	Very low	41.2	Very low	132 Å²	132	97 Å²	97	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-59.7	-45.7	176.3	-80.8	-174.9	174.5	-178.7	0	111.7	N665 K671 E672 T673	N665-K669 PolarHBondContact O-N 3.46Å; K669-K671 VanDerWaalsContact C-N 3.25Å; K669-K671 PolarHBondContact O-N 3.48Å; K669-E672 CarbonylContact O-C 3.59Å; K669-E672 PolarHBondContact O-N 3.49Å; K669-T673 PolarHBondContact O-N 3.26Å; K669-T673 PolarHBondContact O-OG1 2.85Å
670	N	37.8	Very low	41.1	Very low	105 Å²	105	95 Å²	95	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-31.3	177.6	-72.8	-11.6	0	0	0	112.9	H666 S668 A674	H666-N670 VanDerWaalsContact O-CB 3.31Å; H666-N670 WeakPolarHBondContact O-CB 3.49Å; H666-N670 PolarHBondContact O-N 3.17Å; H666-N670 PolarHBondContact O-ND2 3.29Å; S668-N670 PolarHBondContact O-N 3.4Å; N670-A674 VanDerWaalsContact O-CB 3.24Å; N670-A674 WeakPolarHBondContact O-CB 3.37Å; N670-A674 PolarHBondContact O-N 3.39Å
671	K	41.1	Very low	41.2	Very low	149 Å²	149	92.2 Å²	92.2	65%	0.648	51%	0.505	S	S	*	.	H	α-helix	trans	-71.1	-37.8	171.9	-77.6	180	177.6	179.7	0	112.3	Q667 S668 K669 R675	Q667-K671 WeakPolarHBondContact O-CG 3.39Å; Q667-K671 PolarHBondContact O-N 3.01Å; Q667-K671 VanDerWaalsContact O-N 3.09Å; S668-K671 WeakPolarHBondContact O-CB 3.39Å; S668-K671 PolarHBondContact O-N 3.22Å; S668-K671 VanDerWaalsContact O-N 3.11Å; K669-K671 VanDerWaalsContact C-N 3.25Å; K669-K671 PolarHBondContact O-N 3.48Å; K671-R675 WeakPolarHBondContact O-CG 3.08Å; K671-R675 PolarHBondContact O-N 3.44Å
672	E	39.4	Very low	41.2	Very low	124 Å²	124	90.9 Å²	90.9	58%	0.579	50%	0.504	S	S	*	.	H	α-helix	trans	-68.6	-43.4	174.5	-74	176.2	173.5	0	0	112	S668 K669 A674 R675 A676	S668-E672 PolarHBondContact O-N 3.09Å; K669-E672 CarbonylContact O-C 3.59Å; K669-E672 PolarHBondContact O-N 3.49Å; E672-A674 VanDerWaalsContact C-N 3.31Å; E672-A674 PolarHBondContact O-N 3.16Å; E672-R675 PolarHBondContact O-N 2.98Å; E672-A676 WeakPolarHBondContact O-CB 3.07Å; E672-A676 PolarHBondContact O-N 3.26Å
673	T	43	Very low	41.1	Very low	73 Å²	73	94.9 Å²	94.9	45%	0.448	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-35.6	175.2	-22.7	0	0	0	0	111.4	K669 A676 N677	K669-T673 PolarHBondContact O-N 3.26Å; K669-T673 PolarHBondContact O-OG1 2.85Å; T673-A676 PolarHBondContact O-N 2.74Å; T673-N677 VanDerWaalsContact O-CB 3.3Å; T673-N677 WeakPolarHBondContact O-CB 3.37Å; T673-N677 PolarHBondContact O-N 3.39Å; T673-N677 PolarHBondContact O-ND2 2.9Å
674	A	44	Very low	40.9	Very low	49 Å²	49	96.3 Å²	96.3	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-45.1	173.1	0	0	0	0	0	111.6	N670 E672 N677 E678	N670-A674 VanDerWaalsContact O-CB 3.24Å; N670-A674 WeakPolarHBondContact O-CB 3.37Å; N670-A674 PolarHBondContact O-N 3.39Å; E672-A674 VanDerWaalsContact C-N 3.31Å; E672-A674 PolarHBondContact O-N 3.16Å; A674-N677 PolarHBondContact O-N 2.03Å; A674-E678 WeakPolarHBondContact O-CG 3.44Å; A674-E678 PolarHBondContact O-N 3.22Å
675	R	42.8	Very low	41.1	Very low	197 Å²	197	102.7 Å²	102.7	74%	0.743	54%	0.543	S	S	*	.	H	α-helix	trans	-65.3	-38.8	174.6	-78.1	-178.1	178	179.8	-1.3	113.1	K671 E672 E678 G679	K671-R675 WeakPolarHBondContact O-CG 3.08Å; K671-R675 PolarHBondContact O-N 3.44Å; E672-R675 PolarHBondContact O-N 2.98Å; R675-E678 PolarHBondContact O-N 3.27Å; R675-G679 PolarHBondContact O-N 2.93Å
676	A	44.1	Very low	41.2	Very low	56 Å²	56	105.3 Å²	105.3	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-65.5	-41.3	176.3	0	0	0	0	0	111.2	E672 T673 G679 V680	E672-A676 WeakPolarHBondContact O-CB 3.07Å; E672-A676 PolarHBondContact O-N 3.26Å; T673-A676 PolarHBondContact O-N 2.74Å; A676-G679 PolarHBondContact O-N 3.45Å; A676-V680 WeakPolarHBondContact O-CG2 3.45Å; A676-V680 PolarHBondContact O-N 2.86Å
677	N	43	Very low	41.1	Very low	105 Å²	105	102.5 Å²	102.5	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-68.4	-33.3	175.6	-73.8	-12.9	0	0	0	112.4	T673 A674 A681	T673-N677 VanDerWaalsContact O-CB 3.3Å; T673-N677 WeakPolarHBondContact O-CB 3.37Å; T673-N677 PolarHBondContact O-N 3.39Å; T673-N677 PolarHBondContact O-ND2 2.9Å; A674-N677 PolarHBondContact O-N 2.03Å; N677-A681 VanDerWaalsContact O-CB 3.24Å; N677-A681 WeakPolarHBondContact O-CB 3.23Å; N677-A681 PolarHBondContact O-N 3.41Å
678	E	47.3	Very low	40.9	Very low	140 Å²	140	108.2 Å²	108.2	65%	0.654	59%	0.594	S	S	*	*	H	α-helix	trans	-66.9	-38	171	-77.7	177.6	170.5	0	0	112	A674 R675 A681 S682	A674-E678 WeakPolarHBondContact O-CG 3.44Å; A674-E678 PolarHBondContact O-N 3.22Å; R675-E678 PolarHBondContact O-N 3.27Å; E678-A681 PolarHBondContact O-N 3.06Å; E678-S682 WeakPolarHBondContact O-CB 3.16Å; E678-S682 PolarHBondContact O-N 2.94Å
679	G	44.5	Very low	41.1	Very low	33 Å²	33	111 Å²	111	34%	0.34	61%	0.605	S	S	.	*	H	α-helix	trans	-62.3	-47.8	172.7	0	0	0	0	0	112.7	R675 A676 A681 S682 E683	R675-G679 PolarHBondContact O-N 2.93Å; A676-G679 PolarHBondContact O-N 3.45Å; G679-A681 PolarHBondContact O-N 3.33Å; G679-S682 PolarHBondContact O-N 2.71Å; G679-S682 VanDerWaalsContact O-N 3.13Å; G679-S682 PolarHBondContact O-OG 3.01Å; G679-E683 PolarHBondContact O-N 3.33Å; G679-E683 VanDerWaalsContact O-N 3.14Å
680	V	45.2	Very low	41.2	Very low	92 Å²	92	109.8 Å²	109.8	56%	0.558	61%	0.607	S	S	*	*	H	α-helix	trans	-67	-36.1	178.6	176.6	0	0	0	0	111.8	A676 S682 E683 S684	A676-V680 WeakPolarHBondContact O-CG2 3.45Å; A676-V680 PolarHBondContact O-N 2.86Å; V680-S682 VanDerWaalsContact C-N 3.27Å; V680-S682 PolarHBondContact O-N 3.44Å; V680-E683 PolarHBondContact O-N 3.15Å; V680-S684 PolarHBondContact O-N 3.29Å
681	A	41	Very low	41.4	Very low	51 Å²	51	110.1 Å²	110.1	42%	0.421	61%	0.609	S	S	.	*	H	α-helix	trans	-69.9	-23.7	174.5	0	0	0	0	0	113.1	N677 E678 G679 S684	N677-A681 VanDerWaalsContact O-CB 3.24Å; N677-A681 WeakPolarHBondContact O-CB 3.23Å; N677-A681 PolarHBondContact O-N 3.41Å; E678-A681 PolarHBondContact O-N 3.06Å; G679-A681 PolarHBondContact O-N 3.33Å; A681-S684 PolarHBondContact O-OG 3.03Å
682	S	41.3	Very low	41.5	Very low	68 Å²	68	107.8 Å²	107.8	48%	0.476	61%	0.607	S	S	.	*	H	α-helix	trans	-77.7	-35.8	173.6	75.2	0	0	0	0	112.4	E678 G679 V680 K685	E678-S682 WeakPolarHBondContact O-CB 3.16Å; E678-S682 PolarHBondContact O-N 2.94Å; G679-S682 PolarHBondContact O-N 2.71Å; G679-S682 VanDerWaalsContact O-N 3.13Å; G679-S682 PolarHBondContact O-OG 3.01Å; V680-S682 VanDerWaalsContact C-N 3.27Å; V680-S682 PolarHBondContact O-N 3.44Å; S682-K685 PolarHBondContact O-N 2.63Å
683	E	40.4	Very low	41.6	Very low	153 Å²	153	106.8 Å²	106.8	72%	0.715	61%	0.609	S	S	*	*	H	α-helix	trans	-71.5	-36.1	174.2	-73.8	-176.6	161.7	0	0	112.2	G679 V680 K685 I686	G679-E683 PolarHBondContact O-N 3.33Å; G679-E683 VanDerWaalsContact O-N 3.14Å; V680-E683 PolarHBondContact O-N 3.15Å; E683-K685 PolarHBondContact O-N 3.49Å; E683-I686 PolarHBondContact O-N 2.98Å
684	S	39.2	Very low	41.5	Very low	83 Å²	83	109.1 Å²	109.1	58%	0.58	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-11.8	178.7	74.6	0	0	0	0	114.2	V680 A681	V680-S684 PolarHBondContact O-N 3.29Å; A681-S684 PolarHBondContact O-OG 3.03Å
685	K	38.1	Very low	41.3	Very low	175 Å²	175	113.4 Å²	113.4	76%	0.761	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-2.6	178.3	-86.1	-172.1	176.6	-177.7	0	114.5	S682 E683	S682-K685 PolarHBondContact O-N 2.63Å; E683-K685 PolarHBondContact O-N 3.49Å
686	I	40.3	Very low	41.2	Very low	151 Å²	151	106.9 Å²	106.9	77%	0.774	63%	0.626	S	S	*	*	S	Bend	trans	-102.3	-3	177.7	-58.3	175	0	0	0	111.5	E683	E683-I686 PolarHBondContact O-N 2.98Å
687	G	38.1	Very low	40.9	Very low	65 Å²	65	111.2 Å²	111.2	67%	0.67	64%	0.64	S	S	*	*			trans	-107.4	1.6	-173.8	0	0	0	0	0	118.1
688	N	33.1	Very low	40.8	Very low	218 Å²	218	111.7 Å²	111.7	100%	1.166	65%	0.647	S	S	*	*			trans	-122.2	0	170.8	-82	-13.7	0	0	0	108.9

Retrieved 688 of 688 residues in 293.8 ms (Link to these results)

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