A0A077YXK9_TRITR Loading...

Calcium binding mitochondrial carrier protein

AlphaFold DB , UniProt , Accession A0A077YXK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 507 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.1	Very low	36.4	Very low	236 Å²	236	147.2 Å²	147.2	100%	1.163	86%	0.86	S	S	*	*				0	92.5	0	-72.3	177.1	161.9	0	0	106.3
2	H	37.5	Very low	36.2	Very low	202 Å²	202	140.5 Å²	140.5	94%	0.935	85%	0.846	S	S	*	*				59.6	124.9	101.1	-78.6	0.6	0	0	0	111.4
3	G	36.8	Very low	35.9	Very low	65 Å²	65	144.9 Å²	144.9	67%	0.67	85%	0.847	S	S	*	*			cis	179.9	132.5	6.7	0	0	0	0	0	103.9
4	A	36.2	Very low	35.7	Very low	97 Å²	97	146.1 Å²	146.1	80%	0.802	85%	0.848	S	S	*	*				58.6	125.9	93	0	0	0	0	0	114.3
5	V	40.1	Very low	35.4	Very low	122 Å²	122	149 Å²	149	74%	0.739	85%	0.851	S	S	*	*				138	133.4	124.5	175.8	0	0	0	0	115.6
6	N	37.3	Very low	35.1	Very low	138 Å²	138	149.6 Å²	149.6	74%	0.738	85%	0.851	S	S	*	*			trans	84.8	106.3	160	-73.8	-13.3	0	0	0	119.3
7	R	32.7	Very low	34.8	Very low	236 Å²	236	148.4 Å²	148.4	89%	0.891	85%	0.852	S	S	*	*				62.8	111.9	58.9	-74.8	-170.2	173.5	-176.5	-0.4	114.3
8	S	37.6	Very low	34.4	Very low	122 Å²	122	147.4 Å²	147.4	85%	0.853	84%	0.843	S	S	*	*				-176.9	128.5	116	52.6	0	0	0	0	113.1
9	N	32.5	Very low	34.3	Very low	168 Å²	168	146.4 Å²	146.4	90%	0.898	84%	0.84	S	S	*	*			trans	-31.8	145.2	171.6	-63.4	-17.6	0	0	0	119.8
10	S	36.1	Very low	34	Very low	122 Å²	122	145.2 Å²	145.2	85%	0.853	83%	0.83	S	S	*	*				-153.8	133.3	129.2	62.6	0	0	0	0	110.7
11	A	35.2	Very low	33.9	Very low	111 Å²	111	143.1 Å²	143.1	92%	0.917	83%	0.831	S	S	*	*			trans	-73	150.7	-173.8	0	0	0	0	0	114.5
12	G	34.7	Very low	33.3	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	81%	0.809	S	S	*	*			trans	164	91.4	169.2	0	0	0	0	0	107.9
13	K	32	Very low	33	Very low	198 Å²	198	136.3 Å²	136.3	86%	0.861	81%	0.805	S	S	*	*				43.7	97.7	110.8	-75.5	-171.6	176.1	-174.7	0	112
14	D	32.9	Very low	32.6	Very low	161 Å²	161	136.6 Å²	136.6	86%	0.861	80%	0.797	S	S	*	*				-176.4	142.7	110.9	-81.1	-22.3	0	0	0	110.2
15	E	32.1	Very low	32.3	Very low	190 Å²	190	138.2 Å²	138.2	89%	0.888	80%	0.802	S	S	*	*			trans	-71.4	150.8	-161.6	-69.1	168.4	130.2	0	0	114.7	C17	E15-C17 PolarHBondContact O-N 3.34Å
16	D	29.2	Very low	31.8	Very low	159 Å²	159	137.1 Å²	137.1	85%	0.85	80%	0.8	S	S	*	*			trans	-55.9	118.8	166.8	-69.4	-56.9	0	0	0	112.2	N18	D16-N18 PolarHBondContact O-N 2.98Å
17	C	30.7	Very low	31.4	Very low	129 Å²	129	134.9 Å²	134.9	87%	0.872	80%	0.795	S	S	*	*			trans	-93.5	77.7	156.4	-96.7	0	0	0	0	109.1	E15	E15-C17 PolarHBondContact O-N 3.34Å
18	N	27.9	Very low	31.4	Very low	130 Å²	130	132 Å²	132	70%	0.695	80%	0.797	S	S	*	*			trans	-116.1	86	160.4	-154.7	31	0	0	0	106.2	D16 D20	D16-N18 PolarHBondContact O-N 2.98Å; N18-D20 PolarHBondContact O-N 2.98Å
19	V	32.5	Very low	31.1	Very low	129 Å²	129	136.7 Å²	136.7	78%	0.782	80%	0.796	S	S	*	*			trans	-95.8	87.6	176	-176	0	0	0	0	107.8	A21	V19-A21 PolarHBondContact O-N 3.17Å
20	D	28.7	Very low	31.2	Very low	121 Å²	121	134 Å²	134	65%	0.647	79%	0.787	S	S	*	*			trans	-52.3	114.7	151.9	-76.6	-49.6	0	0	0	108.3	N18 S22	N18-D20 PolarHBondContact O-N 2.98Å; D20-S22 PolarHBondContact O-N 3.13Å
21	A	30.5	Very low	30.9	Very low	103 Å²	103	135.6 Å²	135.6	85%	0.851	79%	0.785	S	S	*	*			trans	-76.1	60	166.8	0	0	0	0	0	109.7	V19 F23	V19-A21 PolarHBondContact O-N 3.17Å; A21-F23 VanDerWaalsContact C-N 3.29Å; A21-F23 PolarHBondContact O-N 3.44Å
22	S	26.9	Very low	31	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	77%	0.772	S	S	*	*			trans	-87.1	72.5	157.8	58.9	0	0	0	0	108.1	D20 S24	D20-S22 PolarHBondContact O-N 3.13Å; S22-S24 VanDerWaalsContact C-N 3.29Å; S22-S24 PolarHBondContact O-N 3.46Å; S22-S24 VanDerWaalsContact O-N 3.09Å
23	F	29.9	Very low	30.9	Very low	196 Å²	196	135.3 Å²	135.3	86%	0.86	76%	0.761	S	S	*	*			trans	-79.5	91.2	164.2	-125.1	-92.8	0	0	0	107.5	A21 S25	A21-F23 VanDerWaalsContact C-N 3.29Å; A21-F23 PolarHBondContact O-N 3.44Å; F23-S25 PolarHBondContact O-N 3.13Å
24	S	28.7	Very low	31.3	Very low	71 Å²	71	131.5 Å²	131.5	50%	0.497	76%	0.757	S	S	.	*			trans	-43.6	120.5	170.8	47.4	0	0	0	0	112	S22 S26	S22-S24 VanDerWaalsContact C-N 3.29Å; S22-S24 PolarHBondContact O-N 3.46Å; S22-S24 VanDerWaalsContact O-N 3.09Å; S24-S26 PolarHBondContact O-N 3.31Å
25	S	29.4	Very low	31.8	Very low	131 Å²	131	127.4 Å²	127.4	92%	0.916	74%	0.741	S	S	*	*	S	Bend	trans	-69.7	42.7	176.7	61.4	0	0	0	0	114.2	F23	F23-S25 PolarHBondContact O-N 3.13Å
26	S	30	Very low	32.6	Very low	99 Å²	99	123.8 Å²	123.8	69%	0.692	72%	0.724	S	S	*	*			trans	-150.1	20.3	-166	56.6	0	0	0	0	117.3	S24	S24-S26 PolarHBondContact O-N 3.31Å
27	S	29.7	Very low	33.5	Very low	92 Å²	92	119.4 Å²	119.4	64%	0.643	70%	0.697	S	S	*	*			trans	-152.3	60.4	-179.9	44.2	0	0	0	0	115.7
28	L	32.7	Very low	34.2	Very low	176 Å²	176	123.5 Å²	123.5	92%	0.921	70%	0.696	S	S	*	*			trans	-150.9	83.7	160.6	-96	158.9	0	0	0	110.9
29	R	30.6	Very low	35.6	Very low	220 Å²	220	124.9 Å²	124.9	83%	0.83	70%	0.698	S	S	*	*			trans	-139.4	141.3	149.6	-90.4	-167.7	-170.8	-154.7	1.3	105.2
30	P	36	Very low	37.2	Very low	110 Å²	110	120.2 Å²	120.2	71%	0.714	67%	0.669	S	S	*	*				-139.1	143.3	51.4	31.4	-10.7	0	0	0	116.5	V32	P30-V32 PolarHBondContact O-N 3.18Å
31	L	29.5	Very low	39.4	Very low	156 Å²	156	117.6 Å²	117.6	82%	0.817	66%	0.66	S	S	*	*			trans	28.3	93.3	132.8	-66.2	153	0	0	0	116
32	V	36.5	Very low	41.7	Very low	105 Å²	105	118.7 Å²	118.7	64%	0.636	65%	0.65	S	S	*	*			trans	-77.1	128.1	160	179.5	0	0	0	0	108.1	P30	P30-V32 PolarHBondContact O-N 3.18Å
33	S	33.7	Very low	44.1	Very low	67 Å²	67	120 Å²	120	47%	0.469	65%	0.649	S	S	.	*			trans	-69.7	159.8	-175.5	107.5	0	0	0	0	112.6	S35	S33-S35 PolarHBondContact O-N 2.79Å; S33-S35 WeakPolarHBondContact OG-CB 3.32Å; S33-S35 PolarHBondContact OG-N 3.43Å; S33-S35 PolarHBondContact OG-OG 3.19Å
34	P	39.8	Very low	46.4	Very low	118 Å²	118	113.5 Å²	113.5	77%	0.766	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-56.7	-4.4	177.9	-21.8	32	0	0	0	115.8	H36 F37	P34-H36 PolarHBondContact O-N 3.4Å; P34-F37 PolarHBondContact O-N 2.96Å
35	S	42.6	Very low	48.9	Very low	75 Å²	75	113.3 Å²	113.3	52%	0.524	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-65.9	-13.6	-177.9	57.5	0	0	0	0	115.3	S33 F37	S33-S35 PolarHBondContact O-N 2.79Å; S33-S35 WeakPolarHBondContact OG-CB 3.32Å; S33-S35 PolarHBondContact OG-N 3.43Å; S33-S35 PolarHBondContact OG-OG 3.19Å; S35-F37 VanDerWaalsContact C-N 3.33Å
36	H	49.3	Very low	51.4	Low	115 Å²	115	111.5 Å²	111.5	53%	0.532	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-79.4	-10.8	177.1	-92.7	-100.6	0	0	0	114.7	P34 Y38 Q39	P34-H36 PolarHBondContact O-N 3.4Å; H36-Y38 PolarHBondContact O-N 3.31Å; H36-Q39 PolarHBondContact O-N 3.29Å
37	F	47.2	Very low	53.8	Low	66 Å²	66	113.2 Å²	113.2	29%	0.289	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-60.9	-24.1	172.2	-111.2	-95.5	0	0	0	112.6	P34 S35 Q39 F103 V104	P34-F37 PolarHBondContact O-N 2.96Å; S35-F37 VanDerWaalsContact C-N 3.33Å; F37-Q39 VanDerWaalsContact C-N 3.3Å; F37-Q39 PolarHBondContact O-N 3.49Å; F37-F103 HydrophobicContact CE1-CE1 4.27Å; F37-F103 HydrophobicContact CZ-CD1 4.28Å; F37-F103 HydrophobicContact CZ-CE1 4.19Å; F37-V104 HydrophobicContact CE2-CB 4.17Å; F37-V104 HydrophobicContact CE2-CG1 3.99Å; F37-V104 HydrophobicContact CE2-CG2 3.79Å; F37-V104 HydrophobicContact CZ-CG2 3.99Å
38	Y	45.3	Very low	56.4	Low	216 Å²	216	109.3 Å²	109.3	85%	0.847	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-78.5	-0.6	-176.9	-87	-86.8	0	0	0	115.5	H36	H36-Y38 PolarHBondContact O-N 3.31Å
39	Q	57.8	Low	58.8	Low	158 Å²	158	106.8 Å²	106.8	74%	0.738	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-112.8	-3.1	-176.7	-74.2	-176.1	-10.3	0	0	115.3	H36 F37	H36-Q39 PolarHBondContact O-N 3.29Å; F37-Q39 VanDerWaalsContact C-N 3.3Å; F37-Q39 PolarHBondContact O-N 3.49Å
40	L	66.5	Low	61.3	Low	32 Å²	32	103.8 Å²	103.8	17%	0.168	52%	0.523	C	S	.	.	S	Bend	trans	-74.8	139.6	171.5	-80.3	96.8	0	0	0	110.2	K44 L48 V107 L111	L40-K44 HydrophobicContact CD2-CB 4.33Å; L40-K44 HydrophobicContact CD2-CD 4.35Å; L40-K44 HydrophobicContact CD2-CG 4.06Å; L40-L48 HydrophobicContact CD2-CD1 3.84Å; L40-V107 HydrophobicContact CD1-CG1 4.27Å; L40-V107 HydrophobicContact CD2-CG1 4.28Å; L40-L111 HydrophobicContact CD1-CD1 4.13Å; L40-L111 HydrophobicContact CD2-CD2 4.49Å
41	S	75.9	Confident	63.4	Low	66 Å²	66	99.5 Å²	99.5	46%	0.462	49%	0.494	S	S	.	.			trans	-64.1	144.4	164.3	61	0	0	0	0	109.2	D43 K44 E45	S41-D43 PolarHBondContact O-N 3.01Å; S41-D43 VanDerWaalsContact O-N 3.17Å; S41-K44 PolarHBondContact O-N 2.88Å; S41-K44 WeakPolarHBondContact OG-CB 3.32Å; S41-K44 PolarHBondContact OG-N 3.36Å; S41-E45 PolarHBondContact O-N 2.73Å
42	I	77.6	Confident	66	Low	125 Å²	125	92.4 Å²	92.4	64%	0.641	46%	0.456	S	S	*	.	H	α-helix	trans	-51.9	-41.3	178.9	-62.3	171.3	0	0	0	110.2	K44 E45 E46	I42-K44 VanDerWaalsContact C-N 3.33Å; I42-K44 PolarHBondContact O-N 3.22Å; I42-E45 PolarHBondContact O-N 3.08Å; I42-E46 WeakPolarHBondContact O-CB 3.42Å; I42-E46 WeakPolarHBondContact O-CG 3.16Å; I42-E46 PolarHBondContact O-N 2.92Å
43	D	78.1	Confident	68.3	Low	126 Å²	126	92 Å²	92	67%	0.674	45%	0.45	S	S	*	.	H	α-helix	trans	-61.9	-37.6	177.7	-57.2	-36.7	0	0	0	113.3	S41 K47	S41-D43 PolarHBondContact O-N 3.01Å; S41-D43 VanDerWaalsContact O-N 3.17Å; D43-K47 WeakPolarHBondContact O-CB 3.01Å; D43-K47 PolarHBondContact O-N 3.22Å
44	K	78.1	Confident	70.4	Confident	60 Å²	60	93.6 Å²	93.6	26%	0.261	45%	0.451	S	S	.	.	H	α-helix	trans	-74.6	-40.3	-179.2	-168.3	169.8	-176.8	166.3	0	111	L40 S41 I42 K47 L48 E114	L40-K44 HydrophobicContact CD2-CB 4.33Å; L40-K44 HydrophobicContact CD2-CD 4.35Å; L40-K44 HydrophobicContact CD2-CG 4.06Å; S41-K44 PolarHBondContact O-N 2.88Å; S41-K44 WeakPolarHBondContact OG-CB 3.32Å; S41-K44 PolarHBondContact OG-N 3.36Å; I42-K44 VanDerWaalsContact C-N 3.33Å; I42-K44 PolarHBondContact O-N 3.22Å; K44-K47 PolarHBondContact O-N 2.92Å; K44-L48 WeakPolarHBondContact O-CG 3.39Å; K44-L48 PolarHBondContact O-N 2.79Å; K44-E114 WeakPolarHBondContact CE-OE2 3.33Å; K44-E114 IonicContact NZ-OE1 3.91Å; K44-E114 PolarHBondContact NZ-OE1 2.85Å; K44-E114 IonicContact NZ-OE2 2.96Å; K44-E114 PolarHBondContact NZ-OE2 3.47Å
45	E	80.1	Confident	72.4	Confident	66 Å²	66	88.7 Å²	88.7	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-63.3	-45.3	173.7	-172.6	-179.9	174	0	0	111.3	S41 I42 K47 L48 R49 F103	S41-E45 PolarHBondContact O-N 2.73Å; I42-E45 PolarHBondContact O-N 3.08Å; E45-K47 VanDerWaalsContact C-N 3.31Å; E45-K47 PolarHBondContact O-N 3.3Å; E45-L48 PolarHBondContact O-N 2.68Å; E45-R49 VanDerWaalsContact O-CB 3.29Å; E45-R49 WeakPolarHBondContact O-CB 3.35Å; E45-R49 PolarHBondContact O-N 2.98Å; E45-F103 HydrophobicContact CG-CZ 4.44Å
46	E	82.2	Confident	74.4	Confident	93 Å²	93	85.9 Å²	85.9	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-59.3	-42	175.5	-80.2	-166.7	-166.1	0	0	112.1	I42 R49 R50	I42-E46 WeakPolarHBondContact O-CB 3.42Å; I42-E46 WeakPolarHBondContact O-CG 3.16Å; I42-E46 PolarHBondContact O-N 2.92Å; E46-R49 PolarHBondContact O-N 2.71Å; E46-R50 WeakPolarHBondContact O-CG 3.06Å; E46-R50 PolarHBondContact O-N 3.36Å; E46-R50 IonicContact OE2-NH2 3.87Å; E46-R50 PolarHBondContact OE2-NH2 3.26Å; E46-R50 VanDerWaalsContact OE2-NH2 3.12Å
47	K	80.9	Confident	75.7	Confident	136 Å²	136	83 Å²	83	59%	0.591	39%	0.388	S	S	*	.	H	α-helix	trans	-63.3	-46.6	177.6	-171.3	179.1	179.8	-176.5	0	111.6	D43 K44 E45 R49 R50 L51	D43-K47 WeakPolarHBondContact O-CB 3.01Å; D43-K47 PolarHBondContact O-N 3.22Å; K44-K47 PolarHBondContact O-N 2.92Å; E45-K47 VanDerWaalsContact C-N 3.31Å; E45-K47 PolarHBondContact O-N 3.3Å; K47-R49 VanDerWaalsContact C-N 3.31Å; K47-R49 PolarHBondContact O-N 2.88Å; K47-R50 PolarHBondContact O-N 3.33Å; K47-L51 WeakPolarHBondContact O-CB 3.32Å; K47-L51 PolarHBondContact O-N 3.05Å
48	L	83.1	Confident	77.2	Confident	10 Å²	10	84.5 Å²	84.5	5%	0.052	40%	0.398	C	S	.	.	H	α-helix	trans	-66	-34.1	177.4	-69.7	176.5	0	0	0	112.1	L40 K44 E45 L51 Y52 V107 M110	L40-L48 HydrophobicContact CD2-CD1 3.84Å; K44-L48 WeakPolarHBondContact O-CG 3.39Å; K44-L48 PolarHBondContact O-N 2.79Å; E45-L48 PolarHBondContact O-N 2.68Å; L48-L51 HydrophobicContact CD2-CD2 4.44Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-Y52 WeakPolarHBondContact O-CB 3.21Å; L48-Y52 PolarHBondContact O-N 2.78Å; L48-V107 HydrophobicContact CB-CG2 4.42Å; L48-V107 HydrophobicContact CD1-CG1 4.14Å; L48-V107 HydrophobicContact CD1-CG2 4.18Å; L48-M110 HydrophobicContact CD2-CB 3.77Å; L48-M110 HydrophobicContact CD2-CG 3.97Å
49	R	84.2	Confident	78.9	Confident	122 Å²	122	77.1 Å²	77.1	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-70	-40.5	176	-178.4	157.8	-87.5	-106.9	-6.1	112.7	E45 E46 K47 L51 Y52 N53 F103	E45-R49 VanDerWaalsContact O-CB 3.29Å; E45-R49 WeakPolarHBondContact O-CB 3.35Å; E45-R49 PolarHBondContact O-N 2.98Å; E46-R49 PolarHBondContact O-N 2.71Å; K47-R49 VanDerWaalsContact C-N 3.31Å; K47-R49 PolarHBondContact O-N 2.88Å; R49-L51 VanDerWaalsContact C-N 3.3Å; R49-Y52 PolarHBondContact O-N 2.93Å; R49-N53 PolarHBondContact O-N 2.73Å; R49-N53 PolarHBondContact O-ND2 3.47Å; R49-N53 PolarHBondContact O-OD1 3.19Å; R49-F103 HydrophobicContact CB-CE2 3.88Å; R49-F103 HydrophobicContact CB-CZ 3.83Å; R49-F103 HydrophobicContact CG-CE2 4.43Å; R49-F103 HydrophobicContact CG-CZ 4.47Å
50	R	83.8	Confident	80	Confident	158 Å²	158	73.6 Å²	73.6	60%	0.596	37%	0.374	S	S	*	.	H	α-helix	trans	-60.3	-44.4	170.9	-70.8	176.1	-161.6	-177.3	9.6	110.7	E46 K47 Y52 N53 E54	E46-R50 WeakPolarHBondContact O-CG 3.06Å; E46-R50 PolarHBondContact O-N 3.36Å; E46-R50 IonicContact OE2-NH2 3.87Å; E46-R50 PolarHBondContact OE2-NH2 3.26Å; E46-R50 VanDerWaalsContact OE2-NH2 3.12Å; K47-R50 PolarHBondContact O-N 3.33Å; R50-Y52 PolarHBondContact O-N 3.18Å; R50-N53 PolarHBondContact O-N 3.08Å; R50-E54 VanDerWaalsContact O-CG 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.33Å; R50-E54 PolarHBondContact O-N 3.42Å
51	L	79.7	Confident	80.7	Confident	19 Å²	19	74 Å²	74	10%	0.099	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-47.9	176.6	-158.3	76.2	0	0	0	112.1	K47 L48 R49 N53 E54 L55 F106 M110 F180	K47-L51 WeakPolarHBondContact O-CB 3.32Å; K47-L51 PolarHBondContact O-N 3.05Å; L48-L51 HydrophobicContact CD2-CD2 4.44Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 3.22Å; R49-L51 VanDerWaalsContact C-N 3.3Å; L51-N53 PolarHBondContact O-N 2.98Å; L51-E54 PolarHBondContact O-N 2.73Å; L51-L55 WeakPolarHBondContact O-CG 3.27Å; L51-L55 PolarHBondContact O-N 3.47Å; L51-F106 HydrophobicContact CB-CE1 4.29Å; L51-F106 HydrophobicContact CB-CZ 4.41Å; L51-F106 HydrophobicContact CD2-CE1 3.98Å; L51-F106 HydrophobicContact CD2-CZ 3.6Å; L51-F106 HydrophobicContact CG-CE1 4.44Å; L51-F106 HydrophobicContact CG-CZ 4.09Å; L51-M110 HydrophobicContact CD2-SD 3.86Å; L51-F180 HydrophobicContact CD1-CE1 3.34Å; L51-F180 HydrophobicContact CD1-CE2 4.4Å; L51-F180 HydrophobicContact CD1-CZ 3.22Å; L51-F180 HydrophobicContact CD2-CE1 4.35Å; L51-F180 HydrophobicContact CG-CE1 4.06Å; L51-F180 HydrophobicContact CG-CZ 4.38Å
52	Y	84.3	Confident	81	Confident	8 Å²	8	76.3 Å²	76.3	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-59.9	-47.6	179.6	-175.3	-93	0	0	0	111.5	L48 R49 R50 E54 L55 D56 G61 R62 I63 I101 F103 F106	L48-Y52 WeakPolarHBondContact O-CB 3.21Å; L48-Y52 PolarHBondContact O-N 2.78Å; R49-Y52 PolarHBondContact O-N 2.93Å; R50-Y52 PolarHBondContact O-N 3.18Å; Y52-E54 PolarHBondContact O-N 3.44Å; Y52-L55 PolarHBondContact O-N 2.88Å; Y52-L55 VanDerWaalsContact O-N 3.14Å; Y52-D56 WeakPolarHBondContact O-CB 3.19Å; Y52-D56 PolarHBondContact O-N 3.05Å; Y52-G61 PolarHBondContact OH-O 3.48Å; Y52-R62 WeakPolarHBondContact OH-CA 3.49Å; Y52-I63 HydrophobicContact CD2-CD1 3.36Å; Y52-I63 HydrophobicContact CD2-CG1 4.03Å; Y52-I63 HydrophobicContact CE2-CD1 3.51Å; Y52-I63 HydrophobicContact CE2-CG1 3.74Å; Y52-I63 HydrophobicContact CG-CD1 4.1Å; Y52-I101 PolarHBondContact OH-O 3.42Å; Y52-F103 HydrophobicContact CD1-CB 4.49Å; Y52-F103 HydrophobicContact CD1-CD2 4.09Å; Y52-F103 HydrophobicContact CD2-CB 4.39Å; Y52-F103 AromaticContact CD2-CD2 3.89Å; Y52-F103 HydrophobicContact CD2-CD2 3.89Å; Y52-F103 HydrophobicContact CE1-CB 4.25Å; Y52-F103 HydrophobicContact CE2-CB 4.13Å; Y52-F103 HydrophobicContact CE2-CD2 4.46Å; Y52-F103 AromaticContact CG-CD2 3.65Å; Y52-F103 HydrophobicContact CG-CD2 3.65Å; Y52-F103 HydrophobicContact CG-CE2 4.43Å; Y52-F103 PolarHBondContact OH-N 2.97Å; Y52-F106 HydrophobicContact CD2-CB 3.69Å; Y52-F106 AromaticContact CD2-CD1 3.65Å; Y52-F106 HydrophobicContact CD2-CD1 3.65Å; Y52-F106 HydrophobicContact CD2-CD2 4.27Å; Y52-F106 HydrophobicContact CD2-CE1 4.3Å; Y52-F106 AromaticContact CD2-CG 3.61Å; Y52-F106 HydrophobicContact CD2-CG 3.61Å; Y52-F106 HydrophobicContact CE2-CB 3.87Å; Y52-F106 HydrophobicContact CE2-CG 4.24Å; Y52-F106 HydrophobicContact CG-CD1 4.33Å
53	N	83.6	Confident	81.3	Confident	95 Å²	95	70.4 Å²	70.4	51%	0.508	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-24.5	178.3	-65.1	-9.7	0	0	0	113.2	R49 R50 L51	R49-N53 PolarHBondContact O-N 2.73Å; R49-N53 PolarHBondContact O-ND2 3.47Å; R49-N53 PolarHBondContact O-OD1 3.19Å; R50-N53 PolarHBondContact O-N 3.08Å; L51-N53 PolarHBondContact O-N 2.98Å
54	E	79.3	Confident	81.5	Confident	102 Å²	102	66.7 Å²	66.7	48%	0.477	34%	0.335	S	S	.	.	H	α-helix	trans	-79.6	-29.1	174.3	-75.2	175.7	172.3	0	0	112.6	R50 L51 Y52 R75	R50-E54 VanDerWaalsContact O-CG 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.33Å; R50-E54 PolarHBondContact O-N 3.42Å; L51-E54 PolarHBondContact O-N 2.73Å; Y52-E54 PolarHBondContact O-N 3.44Å; E54-R75 IonicContact OE1-NH2 3.73Å; E54-R75 IonicContact OE2-CZ 2.59Å; E54-R75 IonicContact OE2-NH1 3.68Å; E54-R75 IonicContact OE2-NH2 2.58Å; E54-R75 PolarHBondContact OE2-NH2 2.74Å
55	L	80	Confident	81.7	Confident	14 Å²	14	66.5 Å²	66.5	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-80.9	-32.8	176	-68.8	176.5	0	0	0	111.9	L51 Y52 T57 I63 D67 A71 F106	L51-L55 WeakPolarHBondContact O-CG 3.27Å; L51-L55 PolarHBondContact O-N 3.47Å; Y52-L55 PolarHBondContact O-N 2.88Å; Y52-L55 VanDerWaalsContact O-N 3.14Å; L55-T57 PolarHBondContact O-N 3.25Å; L55-I63 HydrophobicContact CB-CD1 3.66Å; L55-I63 HydrophobicContact CB-CG1 4.19Å; L55-I63 HydrophobicContact CD1-CD1 4Å; L55-I63 HydrophobicContact CG-CD1 4.49Å; L55-D67 WeakPolarHBondContact O-CB 3.48Å; L55-A71 HydrophobicContact CD2-CB 3.45Å; L55-A71 VanDerWaalsContact CD2-CB 3.45Å; L55-F106 HydrophobicContact CD1-CE2 3.49Å; L55-F106 VanDerWaalsContact CD1-CE2 3.49Å; L55-F106 HydrophobicContact CD1-CZ 3.59Å
56	D	84.6	Confident	81.8	Confident	16 Å²	16	73.2 Å²	73.2	9%	0.086	36%	0.357	C	S	.	.			trans	-71.1	89.4	173.1	179.4	3.2	0	0	0	110	Y52 D58 G59 D60 G61 I63	Y52-D56 WeakPolarHBondContact O-CB 3.19Å; Y52-D56 PolarHBondContact O-N 3.05Å; D56-D58 VanDerWaalsContact OD1-OD1 3.07Å; D56-G59 VanDerWaalsContact OD1-CA 3.28Å; D56-G59 WeakPolarHBondContact OD1-CA 3.39Å; D56-G59 PolarHBondContact OD1-N 3.12Å; D56-D60 PolarHBondContact OD1-N 3.26Å; D56-G61 WeakPolarHBondContact OD2-CA 3.27Å; D56-G61 PolarHBondContact OD2-N 2.85Å; D56-I63 HydrophobicContact CB-CG1 4.41Å
57	T	77.2	Confident	81.8	Confident	56 Å²	56	69 Å²	69	34%	0.344	34%	0.337	S	S	.	.	S	Bend	trans	-79.6	-23.4	-172	61.8	0	0	0	0	113.9	L55 D67 Q70	L55-T57 PolarHBondContact O-N 3.25Å; T57-D67 PolarHBondContact N-OD1 2.84Å; T57-D67 PolarHBondContact OG1-OD1 3.27Å; T57-Q70 HydrophobicContact CG2-CB 4.37Å; T57-Q70 HydrophobicContact CG2-CG 4.21Å
58	D	79.7	Confident	81.7	Confident	96 Å²	96	63.1 Å²	63.1	51%	0.513	31%	0.312	S	S	.	.	S	Bend	trans	-96.3	-11.9	177.5	66.5	13.2	0	0	0	113.4	D56 D60 D67	D56-D58 VanDerWaalsContact OD1-OD1 3.07Å; D58-D60 VanDerWaalsContact C-N 3.3Å; D58-D60 WeakPolarHBondContact OD1-CB 3.33Å; D58-D60 VanDerWaalsContact OD1-CG 3.24Å; D58-D60 PolarHBondContact OD1-N 3.21Å; D58-D60 VanDerWaalsContact OD1-N 3.14Å; D58-D67 PolarHBondContact N-OD1 3.16Å
59	G	79.8	Confident	81.6	Confident	61 Å²	61	63.9 Å²	63.9	63%	0.629	32%	0.316	S	S	*	.			trans	73.7	22	174.8	0	0	0	0	0	112.9	D56 G61	D56-G59 VanDerWaalsContact OD1-CA 3.28Å; D56-G59 WeakPolarHBondContact OD1-CA 3.39Å; D56-G59 PolarHBondContact OD1-N 3.12Å; G59-G61 PolarHBondContact O-N 3.37Å
60	D	81.8	Confident	81.4	Confident	85 Å²	85	63.2 Å²	63.2	46%	0.455	32%	0.318	S	S	.	.	S	Bend	trans	-79.4	-5.7	-179.3	83.2	-2.8	0	0	0	113	D56 D58 R62	D56-D60 PolarHBondContact OD1-N 3.26Å; D58-D60 VanDerWaalsContact C-N 3.3Å; D58-D60 WeakPolarHBondContact OD1-CB 3.33Å; D58-D60 VanDerWaalsContact OD1-CG 3.24Å; D58-D60 PolarHBondContact OD1-N 3.21Å; D58-D60 VanDerWaalsContact OD1-N 3.14Å; D60-R62 WeakPolarHBondContact OD1-CA 3.36Å; D60-R62 WeakPolarHBondContact OD1-CB 3.35Å; D60-R62 PolarHBondContact OD1-N 3.39Å
61	G	79.8	Confident	81.1	Confident	41 Å²	41	56 Å²	56	42%	0.423	29%	0.292	S	S	.	.	S	Bend	trans	85.8	7.9	-178.8	0	0	0	0	0	114	Y52 D56 G59	Y52-G61 PolarHBondContact OH-O 3.48Å; D56-G61 WeakPolarHBondContact OD2-CA 3.27Å; D56-G61 PolarHBondContact OD2-N 2.85Å; G59-G61 PolarHBondContact O-N 3.37Å
62	R	84.2	Confident	80.7	Confident	114 Å²	114	55.7 Å²	55.7	43%	0.43	29%	0.29	S	S	.	.	S	Bend	trans	-134.9	137.1	-179	-59.1	176.9	172.3	-97.5	-15.2	109.9	Y52 D60 N64 A100 E102	Y52-R62 WeakPolarHBondContact OH-CA 3.49Å; D60-R62 WeakPolarHBondContact OD1-CA 3.36Å; D60-R62 WeakPolarHBondContact OD1-CB 3.35Å; D60-R62 PolarHBondContact OD1-N 3.39Å; R62-N64 PolarHBondContact O-N 2.95Å; R62-A100 HydrophobicContact CB-CB 3.77Å; R62-A100 HydrophobicContact CG-CB 4.44Å; R62-E102 IonicContact CZ-OE1 3.25Å; R62-E102 VanDerWaalsContact CZ-OE1 3.25Å; R62-E102 IonicContact NH1-OE1 2.98Å; R62-E102 PolarHBondContact NH1-OE1 3.39Å; R62-E102 IonicContact NH2-OE1 2.84Å; R62-E102 PolarHBondContact NH2-OE1 3.15Å
63	I	82.7	Confident	80.1	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-89.8	109.2	175.3	-60.3	169.8	0	0	0	108.8	Y52 L55 D56 D67 L68 I101 F106	Y52-I63 HydrophobicContact CD2-CD1 3.36Å; Y52-I63 HydrophobicContact CD2-CG1 4.03Å; Y52-I63 HydrophobicContact CE2-CD1 3.51Å; Y52-I63 HydrophobicContact CE2-CG1 3.74Å; Y52-I63 HydrophobicContact CG-CD1 4.1Å; L55-I63 HydrophobicContact CB-CD1 3.66Å; L55-I63 HydrophobicContact CB-CG1 4.19Å; L55-I63 HydrophobicContact CD1-CD1 4Å; L55-I63 HydrophobicContact CG-CD1 4.49Å; D56-I63 HydrophobicContact CB-CG1 4.41Å; I63-D67 HydrophobicContact CG2-CB 4.3Å; I63-L68 HydrophobicContact CG2-CB 4.05Å; I63-I101 HydrophobicContact CB-CB 4.28Å; I63-I101 HydrophobicContact CG2-CD1 4.48Å; I63-I101 PolarHBondContact N-O 3.23Å; I63-I101 PolarHBondContact O-N 2.8Å; I63-F106 HydrophobicContact CD1-CD2 3.98Å; I63-F106 HydrophobicContact CD1-CE2 4.15Å; I63-F106 HydrophobicContact CD1-CG 4.46Å
64	N	83.4	Confident	79.4	Confident	48 Å²	48	58.9 Å²	58.9	26%	0.257	31%	0.309	S	S	.	.			trans	-89.3	167.5	171.9	-57.2	-67.8	0	0	0	111.2	R62 R66 D67 L68 A100	R62-N64 PolarHBondContact O-N 2.95Å; N64-R66 PolarHBondContact O-N 2.88Å; N64-R66 VanDerWaalsContact O-N 3.11Å; N64-D67 VanDerWaalsContact CB-OD2 3.22Å; N64-D67 WeakPolarHBondContact CB-OD2 3.44Å; N64-D67 PolarHBondContact N-OD2 3.11Å; N64-D67 PolarHBondContact ND2-OD2 3.38Å; N64-D67 PolarHBondContact O-N 3.43Å; N64-D67 VanDerWaalsContact O-N 3.09Å; N64-L68 PolarHBondContact O-N 3.36Å; N64-A100 WeakPolarHBondContact OD1-CB 3.44Å
65	F	81.9	Confident	78.7	Confident	55 Å²	55	60.1 Å²	60.1	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-52.5	-35.5	174	-179.7	-94.6	0	0	0	112.9	L69 H83 A86 M87 M90	F65-L69 HydrophobicContact CE1-CB 4.48Å; F65-L69 HydrophobicContact CE1-CD2 3.98Å; F65-L69 HydrophobicContact CZ-CD2 4.49Å; F65-L69 WeakPolarHBondContact O-CB 3.42Å; F65-L69 PolarHBondContact O-N 3.39Å; F65-H83 AromaticContact CE1-CE1 3.46Å; F65-H83 VanDerWaalsContact CE1-CE1 3.46Å; F65-H83 WeakPolarHBondContact CE1-CE1 3.31Å; F65-H83 AromaticContact CE1-ND1 3.6Å; F65-H83 AromaticContact CZ-CD2 3.89Å; F65-H83 AromaticContact CZ-CE1 3.25Å; F65-H83 WeakPolarHBondContact CZ-CE1 3.39Å; F65-H83 AromaticContact CZ-CG 3.69Å; F65-H83 AromaticContact CZ-ND1 3.29Å; F65-H83 VanDerWaalsContact CZ-ND1 3.29Å; F65-H83 WeakPolarHBondContact CZ-ND1 3.37Å; F65-H83 AromaticContact CZ-NE2 3.66Å; F65-A86 HydrophobicContact CD2-CB 3.8Å; F65-A86 HydrophobicContact CE2-CB 3.35Å; F65-A86 HydrophobicContact CZ-CB 3.9Å; F65-M87 HydrophobicContact CD2-CG 4.3Å; F65-M87 HydrophobicContact CE2-CB 4.27Å; F65-M87 HydrophobicContact CE2-CG 3.54Å; F65-M87 HydrophobicContact CZ-CG 4.22Å; F65-M90 HydrophobicContact CB-CG 4.21Å; F65-M90 HydrophobicContact CB-SD 4.5Å; F65-M90 HydrophobicContact CD2-CG 4.01Å
66	R	81.3	Confident	77.8	Confident	208 Å²	208	60.3 Å²	60.3	79%	0.785	31%	0.31	S	S	*	.	H	α-helix	trans	-68.9	-45.9	178.1	-73	-175.8	180	168.4	2	112	N64 L68 L69 Q70	N64-R66 PolarHBondContact O-N 2.88Å; N64-R66 VanDerWaalsContact O-N 3.11Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L69 PolarHBondContact O-N 3.42Å; R66-Q70 VanDerWaalsContact O-CB 3.29Å; R66-Q70 WeakPolarHBondContact O-CB 3.27Å; R66-Q70 PolarHBondContact O-N 3.04Å
67	D	82.7	Confident	76.3	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.027	34%	0.341	C	S	.	.	H	α-helix	trans	-59.9	-48.5	177.7	-57.9	-61.6	0	0	0	110.3	L55 T57 D58 I63 N64 L69 Q70 A71	L55-D67 WeakPolarHBondContact O-CB 3.48Å; T57-D67 PolarHBondContact N-OD1 2.84Å; T57-D67 PolarHBondContact OG1-OD1 3.27Å; D58-D67 PolarHBondContact N-OD1 3.16Å; I63-D67 HydrophobicContact CG2-CB 4.3Å; N64-D67 VanDerWaalsContact CB-OD2 3.22Å; N64-D67 WeakPolarHBondContact CB-OD2 3.44Å; N64-D67 PolarHBondContact N-OD2 3.11Å; N64-D67 PolarHBondContact ND2-OD2 3.38Å; N64-D67 PolarHBondContact O-N 3.43Å; N64-D67 VanDerWaalsContact O-N 3.09Å; D67-L69 PolarHBondContact O-N 3.48Å; D67-Q70 PolarHBondContact O-N 3.26Å; D67-A71 VanDerWaalsContact O-CB 3.24Å; D67-A71 WeakPolarHBondContact O-CB 3.25Å; D67-A71 PolarHBondContact O-N 3.13Å
68	L	79	Confident	74.9	Confident	11 Å²	11	65 Å²	65	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-45.8	177.2	-172.4	64.3	0	0	0	111.8	I63 N64 R66 Q70 A71 L72 A86 V89 M90	I63-L68 HydrophobicContact CG2-CB 4.05Å; N64-L68 PolarHBondContact O-N 3.36Å; R66-L68 VanDerWaalsContact C-N 3.34Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 2.87Å; L68-A71 PolarHBondContact O-N 3.29Å; L68-L72 HydrophobicContact CD1-CG 4.37Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.34Å; L68-L72 VanDerWaalsContact O-CB 3.32Å; L68-L72 WeakPolarHBondContact O-CB 3.13Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.24Å; L68-A86 HydrophobicContact CB-CB 4.47Å; L68-A86 HydrophobicContact CD2-CB 3.94Å; L68-A86 HydrophobicContact CG-CB 4.13Å; L68-V89 HydrophobicContact CD1-CG1 4.39Å; L68-V89 HydrophobicContact CD2-CB 3.57Å; L68-V89 HydrophobicContact CD2-CG1 3.47Å; L68-V89 VanDerWaalsContact CD2-CG1 3.47Å; L68-V89 HydrophobicContact CD2-CG2 4.34Å; L68-M90 HydrophobicContact CD2-CG 4.34Å
69	L	81	Confident	73.7	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-39.4	177.8	-177.2	62.9	0	0	0	111.9	F65 R66 D67 K73 A82 H83 A86	F65-L69 HydrophobicContact CE1-CB 4.48Å; F65-L69 HydrophobicContact CE1-CD2 3.98Å; F65-L69 HydrophobicContact CZ-CD2 4.49Å; F65-L69 WeakPolarHBondContact O-CB 3.42Å; F65-L69 PolarHBondContact O-N 3.39Å; R66-L69 PolarHBondContact O-N 3.42Å; D67-L69 PolarHBondContact O-N 3.48Å; L69-K73 HydrophobicContact CG-CD 4.43Å; L69-K73 WeakPolarHBondContact O-CB 3.27Å; L69-K73 VanDerWaalsContact O-CG 3.23Å; L69-K73 WeakPolarHBondContact O-CG 3.25Å; L69-K73 PolarHBondContact O-N 3.19Å; L69-K73 VanDerWaalsContact O-N 3.07Å; L69-A82 HydrophobicContact CD1-CB 3.9Å; L69-H83 HydrophobicContact CD1-CB 4.33Å; L69-A86 HydrophobicContact CB-CB 4.36Å
70	Q	80.4	Confident	72.2	Confident	107 Å²	107	60.9 Å²	60.9	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-70.2	-42.4	177.9	-178.4	168.3	-28.7	0	0	111.4	T57 R66 D67 L68 K73 T74	T57-Q70 HydrophobicContact CG2-CB 4.37Å; T57-Q70 HydrophobicContact CG2-CG 4.21Å; R66-Q70 VanDerWaalsContact O-CB 3.29Å; R66-Q70 WeakPolarHBondContact O-CB 3.27Å; R66-Q70 PolarHBondContact O-N 3.04Å; D67-Q70 PolarHBondContact O-N 3.26Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-Q70 PolarHBondContact O-N 2.87Å; Q70-K73 PolarHBondContact O-N 3.48Å; Q70-T74 WeakPolarHBondContact O-CB 3.41Å; Q70-T74 PolarHBondContact O-N 3.49Å; Q70-T74 PolarHBondContact O-OG1 3.12Å
71	A	76.5	Confident	71.2	Confident	6 Å²	6	60 Å²	60	5%	0.05	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-44.6	176.1	0	0	0	0	0	111.5	L55 D67 L68 K73 T74 R75	L55-A71 HydrophobicContact CD2-CB 3.45Å; L55-A71 VanDerWaalsContact CD2-CB 3.45Å; D67-A71 VanDerWaalsContact O-CB 3.24Å; D67-A71 WeakPolarHBondContact O-CB 3.25Å; D67-A71 PolarHBondContact O-N 3.13Å; L68-A71 PolarHBondContact O-N 3.29Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.19Å; A71-T74 PolarHBondContact O-N 3.46Å; A71-R75 VanDerWaalsContact O-CB 3.27Å; A71-R75 WeakPolarHBondContact O-CB 3.12Å; A71-R75 WeakPolarHBondContact O-CG 3.43Å; A71-R75 PolarHBondContact O-N 2.88Å
72	L	72.2	Confident	70.5	Confident	13 Å²	13	58.7 Å²	58.7	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-43.3	174.6	-70.8	172.8	0	0	0	111.2	L68 M76 A82 A86	L68-L72 HydrophobicContact CD1-CG 4.37Å; L68-L72 HydrophobicContact CG-CD1 4.08Å; L68-L72 HydrophobicContact CG-CG 4.34Å; L68-L72 VanDerWaalsContact O-CB 3.32Å; L68-L72 WeakPolarHBondContact O-CB 3.13Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.24Å; L72-M76 HydrophobicContact CB-CE 4.42Å; L72-M76 HydrophobicContact CD2-CE 3.15Å; L72-M76 HydrophobicContact CG-CE 4.35Å; L72-M76 CarbonylContact O-C 3.53Å; L72-M76 VanDerWaalsContact O-CA 3.32Å; L72-M76 WeakPolarHBondContact O-CA 3.46Å; L72-M76 VanDerWaalsContact O-CB 3.3Å; L72-M76 WeakPolarHBondContact O-CB 3.42Å; L72-M76 PolarHBondContact O-N 3.22Å; L72-A82 HydrophobicContact CB-CB 4.26Å; L72-A82 WeakPolarHBondContact CD1-O 3.32Å; L72-A86 HydrophobicContact CD1-CB 3.93Å
73	K	70.2	Confident	69.7	Low	63 Å²	63	57.1 Å²	57.1	27%	0.274	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-37.8	176.6	-74.7	172.7	-171.7	-178.9	0	113.2	L69 Q70 A71 T507	L69-K73 HydrophobicContact CG-CD 4.43Å; L69-K73 WeakPolarHBondContact O-CB 3.27Å; L69-K73 VanDerWaalsContact O-CG 3.23Å; L69-K73 WeakPolarHBondContact O-CG 3.25Å; L69-K73 PolarHBondContact O-N 3.19Å; L69-K73 VanDerWaalsContact O-N 3.07Å; Q70-K73 PolarHBondContact O-N 3.48Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.19Å; K73-T507 WeakPolarHBondContact CE-OG1 3.42Å; K73-T507 VanDerWaalsContact NZ-CB 3.31Å; K73-T507 PolarHBondContact NZ-OG1 2.98Å
74	T	69.8	Low	68.9	Low	107 Å²	107	59.3 Å²	59.3	66%	0.656	31%	0.311	S	S	*	.	H	α-helix	trans	-75.2	-43.7	-177.3	-53.9	0	0	0	0	111.2	Q70 A71	Q70-T74 WeakPolarHBondContact O-CB 3.41Å; Q70-T74 PolarHBondContact O-N 3.49Å; Q70-T74 PolarHBondContact O-OG1 3.12Å; A71-T74 PolarHBondContact O-N 3.46Å
75	R	64.9	Low	68.2	Low	129 Å²	129	58 Å²	58	49%	0.487	30%	0.302	S	S	.	.	H	α-helix	trans	-78.6	-31.6	-179.5	-71.1	-87.4	174.6	168.5	-2.2	112.4	E54 A71 P77	E54-R75 IonicContact OE1-NH2 3.73Å; E54-R75 IonicContact OE2-CZ 2.59Å; E54-R75 IonicContact OE2-NH1 3.68Å; E54-R75 IonicContact OE2-NH2 2.58Å; E54-R75 PolarHBondContact OE2-NH2 2.74Å; A71-R75 VanDerWaalsContact O-CB 3.27Å; A71-R75 WeakPolarHBondContact O-CB 3.12Å; A71-R75 WeakPolarHBondContact O-CG 3.43Å; A71-R75 PolarHBondContact O-N 2.88Å; R75-P77 VanDerWaalsContact C-CD 3.47Å; R75-P77 WeakPolarHBondContact O-CD 3.38Å
76	M	60.5	Low	67.9	Low	17 Å²	17	55.4 Å²	55.4	8%	0.084	29%	0.291	C	S	.	.	S	Bend	trans	-130.1	69.2	-174.9	-56.5	-171.5	-79.3	0	0	111.9	L72 G78 V79 F180 Y181	L72-M76 HydrophobicContact CB-CE 4.42Å; L72-M76 HydrophobicContact CD2-CE 3.15Å; L72-M76 HydrophobicContact CG-CE 4.35Å; L72-M76 CarbonylContact O-C 3.53Å; L72-M76 VanDerWaalsContact O-CA 3.32Å; L72-M76 WeakPolarHBondContact O-CA 3.46Å; L72-M76 VanDerWaalsContact O-CB 3.3Å; L72-M76 WeakPolarHBondContact O-CB 3.42Å; L72-M76 PolarHBondContact O-N 3.22Å; M76-G78 PolarHBondContact O-N 2.73Å; M76-V79 HydrophobicContact CB-CB 4.06Å; M76-V79 HydrophobicContact CB-CG2 3.42Å; M76-V79 VanDerWaalsContact CB-CG2 3.42Å; M76-V79 HydrophobicContact CE-CG2 4.47Å; M76-V79 HydrophobicContact CG-CG2 4.18Å; M76-V79 PolarHBondContact O-N 3.07Å; M76-V79 HydrophobicContact SD-CG2 3.83Å; M76-F180 HydrophobicContact CE-CB 4.46Å; M76-F180 WeakPolarHBondContact CE-O 3.24Å; M76-F180 HydrophobicContact SD-CB 4.48Å; M76-Y181 HydrophobicContact SD-CD1 4.38Å; M76-Y181 HydrophobicContact SD-CD2 4.22Å; M76-Y181 HydrophobicContact SD-CE1 4.02Å; M76-Y181 HydrophobicContact SD-CE2 3.86Å; M76-Y181 HydrophobicContact SD-CG 4.47Å
77	P	53.5	Low	67.6	Low	113 Å²	113	49.3 Å²	49.3	73%	0.734	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	111.5	173.5	24.7	-31.6	0	0	0	109.4	R75	R75-P77 VanDerWaalsContact C-CD 3.47Å; R75-P77 WeakPolarHBondContact O-CD 3.38Å
78	G	48.8	Very low	67.1	Low	57 Å²	57	51.5 Å²	51.5	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.4	3.9	178	0	0	0	0	0	115.9	M76 P80 H192	M76-G78 PolarHBondContact O-N 2.73Å; G78-P80 WeakPolarHBondContact O-CD 3.29Å; G78-H192 PolarHBondContact O-CE1 3.39Å; G78-H192 VanDerWaalsContact O-CE1 3.23Å
79	V	52.7	Low	66.9	Low	18 Å²	18	51.7 Å²	51.7	11%	0.109	28%	0.284	C	S	.	.			trans	-70.4	112	172.6	166.9	0	0	0	0	110.3	M76 H81 Y85 Y181	M76-V79 HydrophobicContact CB-CB 4.06Å; M76-V79 HydrophobicContact CB-CG2 3.42Å; M76-V79 VanDerWaalsContact CB-CG2 3.42Å; M76-V79 HydrophobicContact CE-CG2 4.47Å; M76-V79 HydrophobicContact CG-CG2 4.18Å; M76-V79 PolarHBondContact O-N 3.07Å; M76-V79 HydrophobicContact SD-CG2 3.83Å; V79-H81 PolarHBondContact O-N 3.31Å; V79-Y85 HydrophobicContact CG1-CD2 3.5Å; V79-Y85 VanDerWaalsContact CG1-CD2 3.5Å; V79-Y85 HydrophobicContact CG1-CE2 3.28Å; V79-Y181 HydrophobicContact CG2-CE1 4.21Å
80	P	48.7	Very low	66.8	Low	54 Å²	54	50.9 Å²	50.9	35%	0.351	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	136.1	174.6	29.5	-32.5	0	0	0	107.8	G78 Y85 H192	G78-P80 WeakPolarHBondContact O-CD 3.29Å; P80-Y85 WeakPolarHBondContact O-CE2 3.47Å; P80-H192 WeakPolarHBondContact CD-CE1 3.45Å; P80-H192 WeakPolarHBondContact CD-ND1 3.23Å; P80-H192 WeakPolarHBondContact CG-ND1 3.21Å
81	H	61.8	Low	66.5	Low	67 Å²	67	50.2 Å²	50.2	31%	0.31	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	27	-179.3	-37.1	93.3	0	0	0	116.8	V79 H83 S84 Y85	V79-H81 PolarHBondContact O-N 3.31Å; H81-H83 CarbonylContact O-C 3.59Å; H81-H83 PolarHBondContact O-N 2.96Å; H81-S84 PolarHBondContact O-N 3.15Å; H81-Y85 VanDerWaalsContact C-CD2 3.45Å; H81-Y85 HydrophobicContact CB-CD2 4.34Å; H81-Y85 HydrophobicContact CB-CE2 4.08Å; H81-Y85 WeakPolarHBondContact O-CD2 3.48Å; H81-Y85 PolarHBondContact O-N 2.84Å
82	A	64.9	Low	66.4	Low	12 Å²	12	53.6 Å²	53.6	10%	0.099	29%	0.291	C	S	.	.	H	α-helix	trans	-47.1	-32	170.4	0	0	0	0	0	113.4	L69 L72 A86	L69-A82 HydrophobicContact CD1-CB 3.9Å; L72-A82 HydrophobicContact CB-CB 4.26Å; L72-A82 WeakPolarHBondContact CD1-O 3.32Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 3.43Å
83	H	67	Low	66.5	Low	81 Å²	81	53.2 Å²	53.2	38%	0.375	29%	0.29	S	S	.	.	H	α-helix	trans	-67.7	-49	172.8	-168.7	97.2	0	0	0	113.7	F65 L69 H81 Y85 A86 M87	F65-H83 AromaticContact CE1-CE1 3.46Å; F65-H83 VanDerWaalsContact CE1-CE1 3.46Å; F65-H83 WeakPolarHBondContact CE1-CE1 3.31Å; F65-H83 AromaticContact CE1-ND1 3.6Å; F65-H83 AromaticContact CZ-CD2 3.89Å; F65-H83 AromaticContact CZ-CE1 3.25Å; F65-H83 WeakPolarHBondContact CZ-CE1 3.39Å; F65-H83 AromaticContact CZ-CG 3.69Å; F65-H83 AromaticContact CZ-ND1 3.29Å; F65-H83 VanDerWaalsContact CZ-ND1 3.29Å; F65-H83 WeakPolarHBondContact CZ-ND1 3.37Å; F65-H83 AromaticContact CZ-NE2 3.66Å; L69-H83 HydrophobicContact CD1-CB 4.33Å; H81-H83 CarbonylContact O-C 3.59Å; H81-H83 PolarHBondContact O-N 2.96Å; H83-Y85 VanDerWaalsContact C-N 3.28Å; H83-Y85 PolarHBondContact O-N 3.13Å; H83-A86 PolarHBondContact O-N 2.97Å; H83-M87 PolarHBondContact O-N 3.28Å
84	S	65.2	Low	66.5	Low	48 Å²	48	50.5 Å²	50.5	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-37.4	178	-159.5	0	0	0	0	111.1	H81 M87 H88	H81-S84 PolarHBondContact O-N 3.15Å; S84-M87 WeakPolarHBondContact O-CB 2.86Å; S84-M87 PolarHBondContact O-N 3.17Å; S84-H88 PolarHBondContact O-CD2 2.94Å; S84-H88 PolarHBondContact O-N 3.43Å
85	Y	70	Confident	66.3	Low	20 Å²	20	48.8 Å²	48.8	8%	0.078	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-46.7	173.7	-64.6	-37	0	0	0	111.5	V79 P80 H81 H83 M87 H88 V89 P182	V79-Y85 HydrophobicContact CG1-CD2 3.5Å; V79-Y85 VanDerWaalsContact CG1-CD2 3.5Å; V79-Y85 HydrophobicContact CG1-CE2 3.28Å; P80-Y85 WeakPolarHBondContact O-CE2 3.47Å; H81-Y85 VanDerWaalsContact C-CD2 3.45Å; H81-Y85 HydrophobicContact CB-CD2 4.34Å; H81-Y85 HydrophobicContact CB-CE2 4.08Å; H81-Y85 WeakPolarHBondContact O-CD2 3.48Å; H81-Y85 PolarHBondContact O-N 2.84Å; H83-Y85 VanDerWaalsContact C-N 3.28Å; H83-Y85 PolarHBondContact O-N 3.13Å; Y85-M87 PolarHBondContact O-N 2.98Å; Y85-H88 PolarHBondContact O-N 3.47Å; Y85-V89 WeakPolarHBondContact O-CB 3.26Å; Y85-V89 WeakPolarHBondContact O-CG2 3.26Å; Y85-V89 PolarHBondContact O-N 3.31Å; Y85-P182 HydrophobicContact CD1-CB 4.05Å; Y85-P182 HydrophobicContact CD1-CG 3.6Å; Y85-P182 HydrophobicContact CE1-CG 4.35Å; Y85-P182 HydrophobicContact CG-CG 3.72Å
86	A	75.8	Confident	66.2	Low	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-38.2	173.6	0	0	0	0	0	111.3	F65 L68 L69 L72 A82 H83 M90	F65-A86 HydrophobicContact CD2-CB 3.8Å; F65-A86 HydrophobicContact CE2-CB 3.35Å; F65-A86 HydrophobicContact CZ-CB 3.9Å; L68-A86 HydrophobicContact CB-CB 4.47Å; L68-A86 HydrophobicContact CD2-CB 3.94Å; L68-A86 HydrophobicContact CG-CB 4.13Å; L69-A86 HydrophobicContact CB-CB 4.36Å; L72-A86 HydrophobicContact CD1-CB 3.93Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 3.43Å; H83-A86 PolarHBondContact O-N 2.97Å; A86-M90 WeakPolarHBondContact O-CB 3.28Å; A86-M90 WeakPolarHBondContact O-CG 3.24Å; A86-M90 PolarHBondContact O-N 3.37Å
87	M	74.5	Confident	66.2	Low	81 Å²	81	52.7 Å²	52.7	40%	0.399	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-50.4	177.4	-86.1	-166.2	42	0	0	111.8	F65 H83 S84 Y85 V89 M90 E91	F65-M87 HydrophobicContact CD2-CG 4.3Å; F65-M87 HydrophobicContact CE2-CB 4.27Å; F65-M87 HydrophobicContact CE2-CG 3.54Å; F65-M87 HydrophobicContact CZ-CG 4.22Å; H83-M87 PolarHBondContact O-N 3.28Å; S84-M87 WeakPolarHBondContact O-CB 2.86Å; S84-M87 PolarHBondContact O-N 3.17Å; Y85-M87 PolarHBondContact O-N 2.98Å; M87-V89 VanDerWaalsContact C-N 3.3Å; M87-V89 PolarHBondContact O-N 3.08Å; M87-M90 PolarHBondContact O-N 3Å; M87-M90 VanDerWaalsContact O-N 3.11Å; M87-E91 WeakPolarHBondContact O-CB 3.29Å; M87-E91 WeakPolarHBondContact O-CG 3.5Å; M87-E91 PolarHBondContact O-N 2.93Å
88	H	72	Confident	66.5	Low	51 Å²	51	49.7 Å²	49.7	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-44.1	178.3	-93.1	-62.8	0	0	0	112	S84 Y85 E91 E92	S84-H88 PolarHBondContact O-CD2 2.94Å; S84-H88 PolarHBondContact O-N 3.43Å; Y85-H88 PolarHBondContact O-N 3.47Å; H88-E91 PolarHBondContact O-N 3.46Å; H88-E92 WeakPolarHBondContact O-CB 3.4Å; H88-E92 WeakPolarHBondContact O-CG 3.42Å; H88-E92 PolarHBondContact O-N 3.46Å
89	V	75.7	Confident	67.4	Low	15 Å²	15	52.8 Å²	52.8	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-42.1	176.5	173.8	0	0	0	0	110.4	L68 Y85 M87 E91 E92 A93 I101 Y109 P182	L68-V89 HydrophobicContact CD1-CG1 4.39Å; L68-V89 HydrophobicContact CD2-CB 3.57Å; L68-V89 HydrophobicContact CD2-CG1 3.47Å; L68-V89 VanDerWaalsContact CD2-CG1 3.47Å; L68-V89 HydrophobicContact CD2-CG2 4.34Å; Y85-V89 WeakPolarHBondContact O-CB 3.26Å; Y85-V89 WeakPolarHBondContact O-CG2 3.26Å; Y85-V89 PolarHBondContact O-N 3.31Å; M87-V89 VanDerWaalsContact C-N 3.3Å; M87-V89 PolarHBondContact O-N 3.08Å; V89-E91 VanDerWaalsContact C-N 3.35Å; V89-E91 PolarHBondContact O-N 3.4Å; V89-E92 PolarHBondContact O-N 3.08Å; V89-A93 HydrophobicContact CG1-CB 4.47Å; V89-A93 WeakPolarHBondContact O-CA 3.35Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 3.08Å; V89-I101 HydrophobicContact CG1-CD1 4.35Å; V89-Y109 HydrophobicContact CG1-CE1 3.92Å; V89-P182 HydrophobicContact CG2-CG 4.47Å
90	M	77.3	Confident	68.6	Low	10 Å²	10	52.8 Å²	52.8	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-38.1	176	-73.4	-68.2	-59.8	0	0	112.5	F65 L68 A86 M87 S94 E99 I101	F65-M90 HydrophobicContact CB-CG 4.21Å; F65-M90 HydrophobicContact CB-SD 4.5Å; F65-M90 HydrophobicContact CD2-CG 4.01Å; L68-M90 HydrophobicContact CD2-CG 4.34Å; A86-M90 WeakPolarHBondContact O-CB 3.28Å; A86-M90 WeakPolarHBondContact O-CG 3.24Å; A86-M90 PolarHBondContact O-N 3.37Å; M87-M90 PolarHBondContact O-N 3Å; M87-M90 VanDerWaalsContact O-N 3.11Å; M90-S94 WeakPolarHBondContact O-CB 3.29Å; M90-S94 PolarHBondContact O-N 3.32Å; M90-S94 VanDerWaalsContact O-N 3.11Å; M90-E99 WeakPolarHBondContact CE-O 3.28Å; M90-I101 HydrophobicContact CE-CG1 4.46Å; M90-I101 HydrophobicContact SD-CD1 3.62Å; M90-I101 HydrophobicContact SD-CG1 3.85Å
91	E	75.4	Confident	70.1	Confident	93 Å²	93	50.3 Å²	50.3	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-70.6	-38.2	178.7	-76.9	178.6	-178.1	0	0	112.8	M87 H88 V89 H97	M87-E91 WeakPolarHBondContact O-CB 3.29Å; M87-E91 WeakPolarHBondContact O-CG 3.5Å; M87-E91 PolarHBondContact O-N 2.93Å; H88-E91 PolarHBondContact O-N 3.46Å; V89-E91 VanDerWaalsContact C-N 3.35Å; V89-E91 PolarHBondContact O-N 3.4Å; E91-H97 PolarHBondContact O-ND1 2.84Å; E91-H97 VanDerWaalsContact O-ND1 3.08Å
92	E	72.8	Confident	71.2	Confident	76 Å²	76	51.1 Å²	51.1	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-83.7	-35.8	179.9	-72.6	-168.5	-163.1	0	0	113.1	H88 V89 Y109 R116	H88-E92 WeakPolarHBondContact O-CB 3.4Å; H88-E92 WeakPolarHBondContact O-CG 3.42Å; H88-E92 PolarHBondContact O-N 3.46Å; V89-E92 PolarHBondContact O-N 3.08Å; E92-Y109 HydrophobicContact CB-CD2 4.07Å; E92-Y109 HydrophobicContact CB-CE2 3.83Å; E92-R116 IonicContact OE1-NH1 2.84Å; E92-R116 IonicContact OE2-CZ 2.9Å; E92-R116 IonicContact OE2-NH1 2.97Å; E92-R116 PolarHBondContact OE2-NH1 3.41Å; E92-R116 IonicContact OE2-NH2 3.17Å
93	A	74.6	Confident	72.1	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-86.9	-31.7	-176.1	0	0	0	0	0	113	V89 A95 I101 D105 Y109	V89-A93 HydrophobicContact CG1-CB 4.47Å; V89-A93 WeakPolarHBondContact O-CA 3.35Å; V89-A93 WeakPolarHBondContact O-CB 3.47Å; V89-A93 PolarHBondContact O-N 3.08Å; A93-A95 PolarHBondContact O-N 3.48Å; A93-I101 HydrophobicContact CB-CD1 3.63Å; A93-I101 HydrophobicContact CB-CG1 3.94Å; A93-I101 HydrophobicContact CB-CG2 4.06Å; A93-D105 WeakPolarHBondContact O-CB 3.32Å; A93-Y109 HydrophobicContact CB-CD1 4.08Å; A93-Y109 HydrophobicContact CB-CD2 3.85Å; A93-Y109 HydrophobicContact CB-CG 3.58Å
94	S	71.3	Confident	72.9	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.035	29%	0.29	C	S	.	.			trans	-76.9	119.3	-179.6	-174.9	0	0	0	0	111	M90 S96 H97 E99	M90-S94 WeakPolarHBondContact O-CB 3.29Å; M90-S94 PolarHBondContact O-N 3.32Å; M90-S94 VanDerWaalsContact O-N 3.11Å; S94-S96 PolarHBondContact O-N 2.82Å; S94-S96 VanDerWaalsContact O-N 3.11Å; S94-H97 PolarHBondContact O-N 3.33Å; S94-E99 VanDerWaalsContact CB-O 3.27Å; S94-E99 WeakPolarHBondContact CB-O 3.33Å; S94-E99 PolarHBondContact OG-N 3.39Å; S94-E99 PolarHBondContact OG-O 3.18Å
95	A	65.8	Low	73.7	Confident	71 Å²	71	51.1 Å²	51.1	59%	0.587	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.7	174.1	0	0	0	0	0	113.1	A93	A93-A95 PolarHBondContact O-N 3.48Å
96	S	61.8	Low	74.4	Confident	74 Å²	74	50.5 Å²	50.5	52%	0.517	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	9.1	178.7	-63	0	0	0	0	114.2	S94 E99	S94-S96 PolarHBondContact O-N 2.82Å; S94-S96 VanDerWaalsContact O-N 3.11Å; S96-E99 WeakPolarHBondContact CB-OE2 3.18Å; S96-E99 PolarHBondContact OG-OE2 3.5Å
97	H	61.4	Low	74.8	Confident	154 Å²	154	50.8 Å²	50.8	71%	0.713	28%	0.284	S	S	*	.	S	Bend	trans	50.1	80.2	-175.9	-68.1	-59.4	0	0	0	113.5	E91 S94	E91-H97 PolarHBondContact O-ND1 2.84Å; E91-H97 VanDerWaalsContact O-ND1 3.08Å; S94-H97 PolarHBondContact O-N 3.33Å
98	G	59.9	Low	75.1	Confident	50 Å²	50	52.1 Å²	52.1	52%	0.515	29%	0.289	S	S	.	.	S	Bend	trans	108.1	0.7	171.5	0	0	0	0	0	115.9
99	E	67.6	Low	75.6	Confident	123 Å²	123	50.3 Å²	50.3	58%	0.575	28%	0.28	S	S	*	.	S	Bend	trans	-88.2	165.9	168	-63.9	-174.1	151.8	0	0	111.2	M90 S94 S96 I101	M90-E99 WeakPolarHBondContact CE-O 3.28Å; S94-E99 VanDerWaalsContact CB-O 3.27Å; S94-E99 WeakPolarHBondContact CB-O 3.33Å; S94-E99 PolarHBondContact OG-N 3.39Å; S94-E99 PolarHBondContact OG-O 3.18Å; S96-E99 WeakPolarHBondContact CB-OE2 3.18Å; S96-E99 PolarHBondContact OG-OE2 3.5Å; E99-I101 PolarHBondContact O-N 3.11Å
100	A	77.1	Confident	75.8	Confident	17 Å²	17	50.3 Å²	50.3	14%	0.14	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-53.4	136.5	-179.4	0	0	0	0	0	112.2	R62 N64 E102	R62-A100 HydrophobicContact CB-CB 3.77Å; R62-A100 HydrophobicContact CG-CB 4.44Å; N64-A100 WeakPolarHBondContact OD1-CB 3.44Å; A100-E102 PolarHBondContact O-N 2.92Å
101	I	80.7	Confident	76.1	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-80.3	119.9	-177.7	-54.7	162.1	0	0	0	108.2	Y52 I63 V89 M90 A93 E99 D105 F106	Y52-I101 PolarHBondContact OH-O 3.42Å; I63-I101 HydrophobicContact CB-CB 4.28Å; I63-I101 HydrophobicContact CG2-CD1 4.48Å; I63-I101 PolarHBondContact N-O 3.23Å; I63-I101 PolarHBondContact O-N 2.8Å; V89-I101 HydrophobicContact CG1-CD1 4.35Å; M90-I101 HydrophobicContact CE-CG1 4.46Å; M90-I101 HydrophobicContact SD-CD1 3.62Å; M90-I101 HydrophobicContact SD-CG1 3.85Å; A93-I101 HydrophobicContact CB-CD1 3.63Å; A93-I101 HydrophobicContact CB-CG1 3.94Å; A93-I101 HydrophobicContact CB-CG2 4.06Å; E99-I101 PolarHBondContact O-N 3.11Å; I101-D105 HydrophobicContact CG2-CB 4Å; I101-F106 HydrophobicContact CG2-CB 3.84Å
102	E	83.9	Confident	76.3	Confident	85 Å²	85	51.4 Å²	51.4	40%	0.397	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-82	159.7	172.7	-60.4	-168.9	166.1	0	0	110.9	R62 A100 V104 D105 F106	R62-E102 IonicContact CZ-OE1 3.25Å; R62-E102 VanDerWaalsContact CZ-OE1 3.25Å; R62-E102 IonicContact NH1-OE1 2.98Å; R62-E102 PolarHBondContact NH1-OE1 3.39Å; R62-E102 IonicContact NH2-OE1 2.84Å; R62-E102 PolarHBondContact NH2-OE1 3.15Å; A100-E102 PolarHBondContact O-N 2.92Å; E102-V104 PolarHBondContact O-N 3.45Å; E102-V104 VanDerWaalsContact O-N 3.14Å; E102-D105 WeakPolarHBondContact O-CB 3.24Å; E102-D105 PolarHBondContact O-N 2.89Å; E102-F106 PolarHBondContact O-N 3.43Å
103	F	84.2	Confident	76.6	Confident	20 Å²	20	48 Å²	48	9%	0.088	27%	0.27	C	S	.	.	H	α-helix	trans	-55.4	-36.9	-177.1	179.9	-111.9	0	0	0	113.5	F37 E45 R49 Y52 F106 V107	F37-F103 HydrophobicContact CE1-CE1 4.27Å; F37-F103 HydrophobicContact CZ-CD1 4.28Å; F37-F103 HydrophobicContact CZ-CE1 4.19Å; E45-F103 HydrophobicContact CG-CZ 4.44Å; R49-F103 HydrophobicContact CB-CE2 3.88Å; R49-F103 HydrophobicContact CB-CZ 3.83Å; R49-F103 HydrophobicContact CG-CE2 4.43Å; R49-F103 HydrophobicContact CG-CZ 4.47Å; Y52-F103 HydrophobicContact CD1-CB 4.49Å; Y52-F103 HydrophobicContact CD1-CD2 4.09Å; Y52-F103 HydrophobicContact CD2-CB 4.39Å; Y52-F103 AromaticContact CD2-CD2 3.89Å; Y52-F103 HydrophobicContact CD2-CD2 3.89Å; Y52-F103 HydrophobicContact CE1-CB 4.25Å; Y52-F103 HydrophobicContact CE2-CB 4.13Å; Y52-F103 HydrophobicContact CE2-CD2 4.46Å; Y52-F103 AromaticContact CG-CD2 3.65Å; Y52-F103 HydrophobicContact CG-CD2 3.65Å; Y52-F103 HydrophobicContact CG-CE2 4.43Å; Y52-F103 PolarHBondContact OH-N 2.97Å; F103-F106 PolarHBondContact O-N 3.28Å; F103-V107 HydrophobicContact CD1-CG2 4.27Å; F103-V107 HydrophobicContact CD2-CG2 4.23Å; F103-V107 HydrophobicContact CE1-CG2 3.84Å; F103-V107 HydrophobicContact CE2-CG2 3.76Å; F103-V107 HydrophobicContact CG-CG2 4.47Å; F103-V107 HydrophobicContact CZ-CG2 3.56Å; F103-V107 VanDerWaalsContact O-CG2 3.25Å; F103-V107 WeakPolarHBondContact O-CG2 3.4Å; F103-V107 PolarHBondContact O-N 2.92Å
104	V	83	Confident	77	Confident	80 Å²	80	49.8 Å²	49.8	49%	0.485	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-46.1	178.2	172.2	0	0	0	0	111	F37 E102 V107 H108	F37-V104 HydrophobicContact CE2-CB 4.17Å; F37-V104 HydrophobicContact CE2-CG1 3.99Å; F37-V104 HydrophobicContact CE2-CG2 3.79Å; F37-V104 HydrophobicContact CZ-CG2 3.99Å; E102-V104 PolarHBondContact O-N 3.45Å; E102-V104 VanDerWaalsContact O-N 3.14Å; V104-V107 PolarHBondContact O-N 2.95Å; V104-H108 PolarHBondContact O-N 3.48Å
105	D	82.9	Confident	77.5	Confident	41 Å²	41	56.6 Å²	56.6	22%	0.219	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-40.4	178.9	-65.9	-26.3	0	0	0	111.1	A93 I101 E102 H108 Y109	A93-D105 WeakPolarHBondContact O-CB 3.32Å; I101-D105 HydrophobicContact CG2-CB 4Å; E102-D105 WeakPolarHBondContact O-CB 3.24Å; E102-D105 PolarHBondContact O-N 2.89Å; D105-H108 PolarHBondContact O-N 2.99Å; D105-Y109 WeakPolarHBondContact O-CB 3.45Å; D105-Y109 PolarHBondContact O-N 3.31Å
106	F	84	Confident	78.1	Confident	7 Å²	7	57.1 Å²	57.1	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-44.8	174.4	-178.9	-104.5	0	0	0	112.4	L51 Y52 L55 I63 I101 E102 F103 H108 Y109 M110	L51-F106 HydrophobicContact CB-CE1 4.29Å; L51-F106 HydrophobicContact CB-CZ 4.41Å; L51-F106 HydrophobicContact CD2-CE1 3.98Å; L51-F106 HydrophobicContact CD2-CZ 3.6Å; L51-F106 HydrophobicContact CG-CE1 4.44Å; L51-F106 HydrophobicContact CG-CZ 4.09Å; Y52-F106 HydrophobicContact CD2-CB 3.69Å; Y52-F106 AromaticContact CD2-CD1 3.65Å; Y52-F106 HydrophobicContact CD2-CD1 3.65Å; Y52-F106 HydrophobicContact CD2-CD2 4.27Å; Y52-F106 HydrophobicContact CD2-CE1 4.3Å; Y52-F106 AromaticContact CD2-CG 3.61Å; Y52-F106 HydrophobicContact CD2-CG 3.61Å; Y52-F106 HydrophobicContact CE2-CB 3.87Å; Y52-F106 HydrophobicContact CE2-CG 4.24Å; Y52-F106 HydrophobicContact CG-CD1 4.33Å; L55-F106 HydrophobicContact CD1-CE2 3.49Å; L55-F106 VanDerWaalsContact CD1-CE2 3.49Å; L55-F106 HydrophobicContact CD1-CZ 3.59Å; I63-F106 HydrophobicContact CD1-CD2 3.98Å; I63-F106 HydrophobicContact CD1-CE2 4.15Å; I63-F106 HydrophobicContact CD1-CG 4.46Å; I101-F106 HydrophobicContact CG2-CB 3.84Å; E102-F106 PolarHBondContact O-N 3.43Å; F103-F106 PolarHBondContact O-N 3.28Å; F106-H108 VanDerWaalsContact C-N 3.31Å; F106-H108 PolarHBondContact O-N 3.38Å; F106-Y109 PolarHBondContact O-N 2.9Å; F106-M110 HydrophobicContact CD1-CG 4.06Å; F106-M110 HydrophobicContact CD2-CG 4.26Å; F106-M110 HydrophobicContact CE1-CG 3.7Å; F106-M110 HydrophobicContact CE1-SD 4.48Å; F106-M110 HydrophobicContact CE2-CE 4.26Å; F106-M110 HydrophobicContact CE2-CG 3.9Å; F106-M110 HydrophobicContact CE2-SD 4.22Å; F106-M110 HydrophobicContact CG-CG 4.34Å; F106-M110 HydrophobicContact CZ-CG 3.62Å; F106-M110 HydrophobicContact CZ-SD 3.91Å; F106-M110 WeakPolarHBondContact O-CB 3.41Å; F106-M110 VanDerWaalsContact O-CG 3.24Å; F106-M110 WeakPolarHBondContact O-CG 3.43Å; F106-M110 PolarHBondContact O-N 3.23Å
107	V	84	Confident	78.9	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.03	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-42.6	176.2	169.2	0	0	0	0	110.3	L40 L48 F103 V104 M110 L111	L40-V107 HydrophobicContact CD1-CG1 4.27Å; L40-V107 HydrophobicContact CD2-CG1 4.28Å; L48-V107 HydrophobicContact CB-CG2 4.42Å; L48-V107 HydrophobicContact CD1-CG1 4.14Å; L48-V107 HydrophobicContact CD1-CG2 4.18Å; F103-V107 HydrophobicContact CD1-CG2 4.27Å; F103-V107 HydrophobicContact CD2-CG2 4.23Å; F103-V107 HydrophobicContact CE1-CG2 3.84Å; F103-V107 HydrophobicContact CE2-CG2 3.76Å; F103-V107 HydrophobicContact CG-CG2 4.47Å; F103-V107 HydrophobicContact CZ-CG2 3.56Å; F103-V107 VanDerWaalsContact O-CG2 3.25Å; F103-V107 WeakPolarHBondContact O-CG2 3.4Å; F103-V107 PolarHBondContact O-N 2.92Å; V104-V107 PolarHBondContact O-N 2.95Å; V107-M110 PolarHBondContact O-N 3.35Å; V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 HydrophobicContact CG1-CG 4.43Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 VanDerWaalsContact O-CG 3.25Å; V107-L111 WeakPolarHBondContact O-CG 3.37Å; V107-L111 PolarHBondContact O-N 3.04Å
108	H	81.1	Confident	80	Confident	110 Å²	110	48 Å²	48	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-49.9	176.8	-173.1	-83.5	0	0	0	111.7	V104 D105 F106 M110 L111 E112	V104-H108 PolarHBondContact O-N 3.48Å; D105-H108 PolarHBondContact O-N 2.99Å; F106-H108 VanDerWaalsContact C-N 3.31Å; F106-H108 PolarHBondContact O-N 3.38Å; H108-M110 PolarHBondContact O-N 3.02Å; H108-L111 PolarHBondContact O-N 2.98Å; H108-E112 IonicContact CE1-OE2 2.74Å; H108-E112 IonicContact ND1-OE2 3.72Å; H108-E112 PolarHBondContact O-N 3Å
109	Y	82.1	Confident	81.1	Confident	13 Å²	13	51 Å²	51	5%	0.051	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-46.2	177.4	174.1	-103.1	0	0	0	111.9	V89 E92 A93 D105 F106 L111 E112 H113	V89-Y109 HydrophobicContact CG1-CE1 3.92Å; E92-Y109 HydrophobicContact CB-CD2 4.07Å; E92-Y109 HydrophobicContact CB-CE2 3.83Å; A93-Y109 HydrophobicContact CB-CD1 4.08Å; A93-Y109 HydrophobicContact CB-CD2 3.85Å; A93-Y109 HydrophobicContact CB-CG 3.58Å; D105-Y109 WeakPolarHBondContact O-CB 3.45Å; D105-Y109 PolarHBondContact O-N 3.31Å; F106-Y109 PolarHBondContact O-N 2.9Å; Y109-L111 PolarHBondContact O-N 3.12Å; Y109-E112 PolarHBondContact O-N 3.5Å; Y109-H113 WeakPolarHBondContact O-CB 3.46Å; Y109-H113 PolarHBondContact O-N 3.28Å
110	M	81.6	Confident	81.6	Confident	15 Å²	15	46.5 Å²	46.5	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-41.1	179.2	-74.5	-72.4	102.4	0	0	112.7	L48 L51 F106 V107 H108 H113 E114 M179	L48-M110 HydrophobicContact CD2-CB 3.77Å; L48-M110 HydrophobicContact CD2-CG 3.97Å; L51-M110 HydrophobicContact CD2-SD 3.86Å; F106-M110 HydrophobicContact CD1-CG 4.06Å; F106-M110 HydrophobicContact CD2-CG 4.26Å; F106-M110 HydrophobicContact CE1-CG 3.7Å; F106-M110 HydrophobicContact CE1-SD 4.48Å; F106-M110 HydrophobicContact CE2-CE 4.26Å; F106-M110 HydrophobicContact CE2-CG 3.9Å; F106-M110 HydrophobicContact CE2-SD 4.22Å; F106-M110 HydrophobicContact CG-CG 4.34Å; F106-M110 HydrophobicContact CZ-CG 3.62Å; F106-M110 HydrophobicContact CZ-SD 3.91Å; F106-M110 WeakPolarHBondContact O-CB 3.41Å; F106-M110 VanDerWaalsContact O-CG 3.24Å; F106-M110 WeakPolarHBondContact O-CG 3.43Å; F106-M110 PolarHBondContact O-N 3.23Å; V107-M110 PolarHBondContact O-N 3.35Å; H108-M110 PolarHBondContact O-N 3.02Å; M110-H113 PolarHBondContact O-N 3.37Å; M110-E114 WeakPolarHBondContact O-CB 3.44Å; M110-E114 PolarHBondContact O-N 3.42Å; M110-M179 HydrophobicContact SD-CG 4.47Å
111	L	82.7	Confident	81.9	Confident	48 Å²	48	46.1 Å²	46.1	25%	0.251	22%	0.224	S	C	.	.	H	α-helix	trans	-67.4	-37.4	176.7	-71.3	173.5	0	0	0	112.2	L40 V107 H108 Y109 K115	L40-L111 HydrophobicContact CD1-CD1 4.13Å; L40-L111 HydrophobicContact CD2-CD2 4.49Å; V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 HydrophobicContact CG1-CG 4.43Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 VanDerWaalsContact O-CG 3.25Å; V107-L111 WeakPolarHBondContact O-CG 3.37Å; V107-L111 PolarHBondContact O-N 3.04Å; H108-L111 PolarHBondContact O-N 2.98Å; Y109-L111 PolarHBondContact O-N 3.12Å; L111-K115 WeakPolarHBondContact O-CG 3.29Å; L111-K115 PolarHBondContact O-N 2.93Å
112	E	79.1	Confident	82.1	Confident	78 Å²	78	51.8 Å²	51.8	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-70	-41	175.5	-165.9	174.6	162.9	0	0	111.5	H108 Y109 K115 R116	H108-E112 IonicContact CE1-OE2 2.74Å; H108-E112 IonicContact ND1-OE2 3.72Å; H108-E112 PolarHBondContact O-N 3Å; Y109-E112 PolarHBondContact O-N 3.5Å; E112-K115 WeakPolarHBondContact O-CB 3.25Å; E112-K115 PolarHBondContact O-N 3.44Å; E112-R116 WeakPolarHBondContact O-CG 3.08Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 IonicContact OE1-CZ 2.72Å; E112-R116 IonicContact OE1-NE 3.63Å; E112-R116 IonicContact OE1-NH2 3.68Å; E112-R116 PolarHBondContact OE1-NH2 3.33Å
113	H	80.2	Confident	82	Confident	5 Å²	5	51.7 Å²	51.7	2%	0.023	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-45.2	175.8	-171.7	89	0	0	0	112.1	Y109 M110 K115 R116 L117 Y181 C183	Y109-H113 WeakPolarHBondContact O-CB 3.46Å; Y109-H113 PolarHBondContact O-N 3.28Å; M110-H113 PolarHBondContact O-N 3.37Å; H113-K115 VanDerWaalsContact C-N 3.31Å; H113-K115 PolarHBondContact O-N 3.4Å; H113-R116 PolarHBondContact O-N 3.29Å; H113-R116 VanDerWaalsContact O-N 3.14Å; H113-L117 PolarHBondContact O-N 3.1Å; H113-Y181 PolarHBondContact CE1-O 2.93Å; H113-Y181 PolarHBondContact NE2-O 3.36Å; H113-C183 PolarHBondContact CE1-N 2.96Å; H113-C183 PolarHBondContact CE1-SG 2.95Å; H113-C183 PolarHBondContact NE2-SG 2.9Å
114	E	82.1	Confident	81.9	Confident	42 Å²	42	51.1 Å²	51.1	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-40.1	175.3	-172	-176.8	154.6	0	0	111.8	K44 M110 L117 T118 L175 M179	K44-E114 WeakPolarHBondContact CE-OE2 3.33Å; K44-E114 IonicContact NZ-OE1 3.91Å; K44-E114 PolarHBondContact NZ-OE1 2.85Å; K44-E114 IonicContact NZ-OE2 2.96Å; K44-E114 PolarHBondContact NZ-OE2 3.47Å; M110-E114 WeakPolarHBondContact O-CB 3.44Å; M110-E114 PolarHBondContact O-N 3.42Å; E114-L117 PolarHBondContact O-N 3.28Å; E114-T118 WeakPolarHBondContact O-CB 3.49Å; E114-T118 PolarHBondContact O-N 3.1Å; E114-T118 PolarHBondContact O-OG1 2.99Å; E114-L175 HydrophobicContact CG-CD1 4.02Å; E114-L175 HydrophobicContact CG-CD2 4.04Å; E114-M179 HydrophobicContact CB-CE 4.38Å; E114-M179 HydrophobicContact CG-CE 4.17Å
115	K	82.7	Confident	82.1	Confident	149 Å²	149	48 Å²	48	65%	0.648	23%	0.232	S	C	*	.	H	α-helix	trans	-62.8	-43.6	173.7	-72.8	172.7	-177.1	177.6	0	111.7	L111 E112 H113 T118 L119	L111-K115 WeakPolarHBondContact O-CG 3.29Å; L111-K115 PolarHBondContact O-N 2.93Å; E112-K115 WeakPolarHBondContact O-CB 3.25Å; E112-K115 PolarHBondContact O-N 3.44Å; H113-K115 VanDerWaalsContact C-N 3.31Å; H113-K115 PolarHBondContact O-N 3.4Å; K115-T118 WeakPolarHBondContact O-CB 3.39Å; K115-T118 PolarHBondContact O-N 2.89Å; K115-L119 WeakPolarHBondContact O-CG 3.26Å; K115-L119 PolarHBondContact O-N 2.9Å
116	R	78.6	Confident	82.1	Confident	82 Å²	82	54.5 Å²	54.5	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-44	177.2	-68.5	178.3	-169.2	173.9	7.7	111.5	E92 E112 H113 T118 L119 V120 C183	E92-R116 IonicContact OE1-NH1 2.84Å; E92-R116 IonicContact OE2-CZ 2.9Å; E92-R116 IonicContact OE2-NH1 2.97Å; E92-R116 PolarHBondContact OE2-NH1 3.41Å; E92-R116 IonicContact OE2-NH2 3.17Å; E112-R116 WeakPolarHBondContact O-CG 3.08Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 IonicContact OE1-CZ 2.72Å; E112-R116 IonicContact OE1-NE 3.63Å; E112-R116 IonicContact OE1-NH2 3.68Å; E112-R116 PolarHBondContact OE1-NH2 3.33Å; H113-R116 PolarHBondContact O-N 3.29Å; H113-R116 VanDerWaalsContact O-N 3.14Å; R116-T118 VanDerWaalsContact C-N 3.3Å; R116-T118 PolarHBondContact O-N 3.38Å; R116-L119 WeakPolarHBondContact O-CB 3.23Å; R116-L119 PolarHBondContact O-N 3.39Å; R116-V120 WeakPolarHBondContact O-CG2 3.25Å; R116-V120 PolarHBondContact O-N 3.47Å; R116-C183 HydrophobicContact CB-CB 4.33Å
117	L	78.9	Confident	82.1	Confident	3 Å²	3	60 Å²	60	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-39	174.3	-72.8	176.5	0	0	0	112.3	H113 E114 L119 V120 F121 F174 L175 F178 C183	H113-L117 PolarHBondContact O-N 3.1Å; E114-L117 PolarHBondContact O-N 3.28Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 2.96Å; L117-V120 PolarHBondContact O-N 2.9Å; L117-F121 PolarHBondContact O-N 3.43Å; L117-F174 HydrophobicContact CB-CE1 4.27Å; L117-F174 HydrophobicContact CD2-CE1 4.18Å; L117-F174 WeakPolarHBondContact O-CE1 3.33Å; L117-L175 HydrophobicContact CB-CD2 3.4Å; L117-L175 HydrophobicContact CD1-CD2 3.86Å; L117-L175 HydrophobicContact CG-CD2 4.27Å; L117-F178 HydrophobicContact CD1-CB 3.85Å; L117-F178 HydrophobicContact CD2-CB 3.53Å; L117-F178 HydrophobicContact CD2-CG 4.36Å; L117-F178 HydrophobicContact CG-CB 4.35Å; L117-C183 WeakPolarHBondContact CD2-SG 3.33Å; L117-C183 WeakPolarHBondContact CG-SG 3Å
118	T	83.7	Confident	82.1	Confident	34 Å²	34	68.4 Å²	68.4	21%	0.209	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-40.6	177.1	-54.7	0	0	0	0	110.9	E114 K115 R116 V120 F121 E122 L171	E114-T118 WeakPolarHBondContact O-CB 3.49Å; E114-T118 PolarHBondContact O-N 3.1Å; E114-T118 PolarHBondContact O-OG1 2.99Å; K115-T118 WeakPolarHBondContact O-CB 3.39Å; K115-T118 PolarHBondContact O-N 2.89Å; R116-T118 VanDerWaalsContact C-N 3.3Å; R116-T118 PolarHBondContact O-N 3.38Å; T118-V120 PolarHBondContact O-N 3.21Å; T118-F121 WeakPolarHBondContact O-CB 3.27Å; T118-F121 PolarHBondContact O-N 3.29Å; T118-E122 WeakPolarHBondContact O-CG 3.36Å; T118-E122 PolarHBondContact O-N 3.42Å; T118-L171 HydrophobicContact CG2-CD1 4.21Å; T118-L171 HydrophobicContact CG2-CD2 4.18Å
119	L	83.3	Confident	82.3	Confident	112 Å²	112	67.6 Å²	67.6	59%	0.586	31%	0.313	S	S	*	.	H	α-helix	trans	-64.7	-37.4	174	-66.9	171.7	0	0	0	112.6	K115 R116 L117 E122 D123	K115-L119 WeakPolarHBondContact O-CG 3.26Å; K115-L119 PolarHBondContact O-N 2.9Å; R116-L119 WeakPolarHBondContact O-CB 3.23Å; R116-L119 PolarHBondContact O-N 3.39Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 2.96Å; L119-E122 PolarHBondContact O-N 3.04Å; L119-D123 PolarHBondContact O-N 3.28Å
120	V	78.7	Confident	82.3	Confident	28 Å²	28	68.5 Å²	68.5	17%	0.17	33%	0.326	C	S	.	.	H	α-helix	trans	-65.9	-41.3	174.6	175.5	0	0	0	0	110.7	R116 L117 T118 E122 D123 C124 F174	R116-V120 WeakPolarHBondContact O-CG2 3.25Å; R116-V120 PolarHBondContact O-N 3.47Å; L117-V120 PolarHBondContact O-N 2.9Å; T118-V120 PolarHBondContact O-N 3.21Å; V120-E122 VanDerWaalsContact C-N 3.33Å; V120-D123 PolarHBondContact O-N 3.24Å; V120-C124 PolarHBondContact O-N 3.14Å; V120-C124 PolarHBondContact O-SG 2.93Å; V120-F174 HydrophobicContact CB-CZ 4.44Å; V120-F174 HydrophobicContact CG1-CZ 3.95Å
121	F	83.1	Confident	82.5	Confident	9 Å²	9	70.3 Å²	70.3	4%	0.039	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-45.3	174.7	-175.4	-86.3	0	0	0	111	L117 T118 D123 C124 D125 G130 I132 V169 L171 F174	L117-F121 PolarHBondContact O-N 3.43Å; T118-F121 WeakPolarHBondContact O-CB 3.27Å; T118-F121 PolarHBondContact O-N 3.29Å; F121-D123 PolarHBondContact O-N 3.04Å; F121-C124 WeakPolarHBondContact O-CB 3.37Å; F121-C124 PolarHBondContact O-N 2.69Å; F121-C124 VanDerWaalsContact O-N 3.15Å; F121-D125 HydrophobicContact CD1-CB 4.42Å; F121-D125 HydrophobicContact CE1-CB 4.15Å; F121-D125 WeakPolarHBondContact O-CB 3.26Å; F121-D125 PolarHBondContact O-N 3.4Å; F121-G130 WeakPolarHBondContact CZ-O 3.34Å; F121-I132 HydrophobicContact CB-CD1 4.48Å; F121-I132 HydrophobicContact CD2-CD1 3.2Å; F121-I132 HydrophobicContact CD2-CG1 3.92Å; F121-I132 HydrophobicContact CE1-CG1 4.44Å; F121-I132 HydrophobicContact CE2-CB 4.43Å; F121-I132 HydrophobicContact CE2-CD1 3.35Å; F121-I132 HydrophobicContact CE2-CG1 3.56Å; F121-I132 HydrophobicContact CG-CD1 3.87Å; F121-I132 HydrophobicContact CZ-CD1 4.09Å; F121-I132 HydrophobicContact CZ-CG1 3.84Å; F121-V169 WeakPolarHBondContact CE2-O 3.5Å; F121-L171 HydrophobicContact CB-CD1 3.7Å; F121-L171 HydrophobicContact CD1-CB 4.24Å; F121-L171 HydrophobicContact CD1-CD1 3.8Å; F121-L171 HydrophobicContact CD2-CB 4.45Å; F121-L171 HydrophobicContact CD2-CD1 3.97Å; F121-L171 HydrophobicContact CE1-CB 4.03Å; F121-L171 HydrophobicContact CE1-CD1 4.45Å; F121-L171 HydrophobicContact CE2-CB 4.24Å; F121-L171 HydrophobicContact CG-CB 4.46Å; F121-L171 HydrophobicContact CG-CD1 3.53Å; F121-L171 HydrophobicContact CZ-CB 4.03Å; F121-F174 HydrophobicContact CB-CD1 4.04Å; F121-F174 HydrophobicContact CB-CE1 4.09Å; F121-F174 HydrophobicContact CB-CG 4.47Å; F121-F174 HydrophobicContact CD2-CB 3.53Å; F121-F174 AromaticContact CD2-CD1 3.88Å; F121-F174 HydrophobicContact CD2-CD1 3.88Å; F121-F174 AromaticContact CD2-CD2 3.81Å; F121-F174 HydrophobicContact CD2-CD2 3.81Å; F121-F174 HydrophobicContact CD2-CE2 4.46Å; F121-F174 AromaticContact CD2-CG 3.49Å; F121-F174 HydrophobicContact CD2-CG 3.49Å; F121-F174 VanDerWaalsContact CD2-CG 3.49Å; F121-F174 HydrophobicContact CE2-CB 3.84Å; F121-F174 HydrophobicContact CE2-CD2 4.46Å; F121-F174 HydrophobicContact CE2-CG 4.23Å; F121-F174 HydrophobicContact CG-CD1 4.45Å; F121-F174 HydrophobicContact CG-CG 4.45Å
122	E	84.8	Confident	82.6	Confident	122 Å²	122	68.1 Å²	68.1	57%	0.57	33%	0.327	S	S	*	.	H	α-helix	trans	-65.2	-32.6	177.2	-72.2	176.6	178.9	0	0	113.6	T118 L119 V120	T118-E122 WeakPolarHBondContact O-CG 3.36Å; T118-E122 PolarHBondContact O-N 3.42Å; L119-E122 PolarHBondContact O-N 3.04Å; V120-E122 VanDerWaalsContact C-N 3.33Å
123	D	82	Confident	82.8	Confident	83 Å²	83	65.9 Å²	65.9	44%	0.444	32%	0.317	S	S	.	.	H	α-helix	trans	-75.8	-25.1	173.1	-165.4	48.2	0	0	0	112.2	L119 V120 F121 Y140 K143	L119-D123 PolarHBondContact O-N 3.28Å; V120-D123 PolarHBondContact O-N 3.24Å; F121-D123 PolarHBondContact O-N 3.04Å; D123-Y140 HydrophobicContact CB-CE2 4.21Å; D123-Y140 WeakPolarHBondContact OD2-CE2 3.32Å; D123-K143 VanDerWaalsContact CG-NZ 3.33Å; D123-K143 IonicContact OD1-NZ 2.71Å; D123-K143 PolarHBondContact OD1-NZ 3.07Å; D123-K143 IonicContact OD2-NZ 3.38Å; D123-K143 PolarHBondContact OD2-NZ 2.89Å
124	C	81.9	Confident	83	Confident	8 Å²	8	66.8 Å²	66.8	5%	0.054	32%	0.324	C	S	.	.	H	α-helix	trans	-78.2	-45.1	173.9	-67	0	0	0	0	112.4	V120 F121 R126 I132 Y140	V120-C124 PolarHBondContact O-N 3.14Å; V120-C124 PolarHBondContact O-SG 2.93Å; F121-C124 WeakPolarHBondContact O-CB 3.37Å; F121-C124 PolarHBondContact O-N 2.69Å; F121-C124 VanDerWaalsContact O-N 3.15Å; C124-R126 VanDerWaalsContact C-N 3.28Å; C124-R126 PolarHBondContact O-N 3.08Å; C124-I132 HydrophobicContact CB-CD1 3.44Å; C124-I132 VanDerWaalsContact CB-CD1 3.44Å; C124-I132 HydrophobicContact CB-CG1 3.99Å; C124-I132 HydrophobicContact CB-CG2 4.41Å; C124-Y140 HydrophobicContact CB-CD2 4.46Å; C124-Y140 HydrophobicContact CB-CG 4.44Å; C124-Y140 WeakPolarHBondContact SG-CD1 3.49Å; C124-Y140 VanDerWaalsContact SG-CD2 3.54Å
125	D	86.2	Confident	83.1	Confident	13 Å²	13	68 Å²	68	7%	0.07	34%	0.337	C	S	.	.			trans	-72.7	78.6	-178.9	179.4	11.6	0	0	0	110.8	F121 K127 K128 D129 G130 I132	F121-D125 HydrophobicContact CD1-CB 4.42Å; F121-D125 HydrophobicContact CE1-CB 4.15Å; F121-D125 WeakPolarHBondContact O-CB 3.26Å; F121-D125 PolarHBondContact O-N 3.4Å; D125-K127 VanDerWaalsContact C-N 3.29Å; D125-K127 PolarHBondContact O-N 3.09Å; D125-K127 PolarHBondContact OD1-N 2.98Å; D125-K128 PolarHBondContact O-N 3.34Å; D125-K128 VanDerWaalsContact OD1-CA 3.32Å; D125-K128 WeakPolarHBondContact OD1-CA 3.36Å; D125-K128 PolarHBondContact OD1-N 2.92Å; D125-K128 WeakPolarHBondContact OD2-CA 3.29Å; D125-D129 PolarHBondContact OD1-N 3.38Å; D125-D129 PolarHBondContact OD2-N 3.11Å; D125-G130 VanDerWaalsContact OD2-CA 3.3Å; D125-G130 WeakPolarHBondContact OD2-CA 3.23Å; D125-G130 PolarHBondContact OD2-N 3.28Å; D125-I132 HydrophobicContact CB-CG1 4.15Å
126	R	83.3	Confident	83.2	Confident	179 Å²	179	61.3 Å²	61.3	68%	0.675	31%	0.308	S	S	*	.	S	Bend	trans	-68.5	-31.7	-179	-175.4	175.7	171.4	-173.4	-4.3	111.5	C124 K128 E136 H139	C124-R126 VanDerWaalsContact C-N 3.28Å; C124-R126 PolarHBondContact O-N 3.08Å; R126-K128 VanDerWaalsContact C-N 3.29Å; R126-E136 HydrophobicContact CB-CG 4.37Å; R126-E136 PolarHBondContact N-OE1 2.68Å; R126-H139 PolarHBondContact NH1-CD2 3.42Å; R126-H139 PolarHBondContact NH1-NE2 3.28Å
127	K	84.1	Confident	83.2	Confident	122 Å²	122	57.9 Å²	57.9	53%	0.53	30%	0.296	S	S	.	.	S	Bend	trans	-74.8	-20.4	177.9	-72.8	170.5	177.2	-177.9	0	112.6	D125 D129 D133 E136	D125-K127 VanDerWaalsContact C-N 3.29Å; D125-K127 PolarHBondContact O-N 3.09Å; D125-K127 PolarHBondContact OD1-N 2.98Å; K127-D129 HydrophobicContact CB-CB 4.42Å; K127-D129 PolarHBondContact O-N 2.67Å; K127-D133 IonicContact NZ-OD2 3.91Å; K127-D133 PolarHBondContact NZ-OD2 3.39Å; K127-E136 VanDerWaalsContact CB-OE1 3.3Å; K127-E136 WeakPolarHBondContact CB-OE1 3.38Å; K127-E136 VanDerWaalsContact CG-OE1 3.22Å; K127-E136 WeakPolarHBondContact CG-OE1 3.41Å; K127-E136 PolarHBondContact N-OE1 3.37Å
128	K	83.4	Confident	83.3	Confident	181 Å²	181	60.8 Å²	60.8	79%	0.787	31%	0.31	S	S	*	.			trans	57.1	34.3	-174.8	-56.5	-171.8	175.7	-168.5	0	112.2	D125 R126	D125-K128 PolarHBondContact O-N 3.34Å; D125-K128 VanDerWaalsContact OD1-CA 3.32Å; D125-K128 WeakPolarHBondContact OD1-CA 3.36Å; D125-K128 PolarHBondContact OD1-N 2.92Å; D125-K128 WeakPolarHBondContact OD2-CA 3.29Å; R126-K128 VanDerWaalsContact C-N 3.29Å
129	D	85.7	Confident	83.3	Confident	93 Å²	93	63 Å²	63	50%	0.497	32%	0.318	S	S	.	.	S	Bend	trans	-94.8	-0.8	177.3	63	14.4	0	0	0	112.4	D125 K127 V131	D125-D129 PolarHBondContact OD1-N 3.38Å; D125-D129 PolarHBondContact OD2-N 3.11Å; K127-D129 HydrophobicContact CB-CB 4.42Å; K127-D129 PolarHBondContact O-N 2.67Å; D129-V131 VanDerWaalsContact C-N 3.3Å; D129-V131 PolarHBondContact OD1-N 3.28Å
130	G	82.7	Confident	83.2	Confident	33 Å²	33	58.9 Å²	58.9	34%	0.34	30%	0.295	S	S	.	.	S	Bend	trans	80.4	9.7	-179.4	0	0	0	0	0	113.5	F121 D125	F121-G130 WeakPolarHBondContact CZ-O 3.34Å; D125-G130 VanDerWaalsContact OD2-CA 3.3Å; D125-G130 WeakPolarHBondContact OD2-CA 3.23Å; D125-G130 PolarHBondContact OD2-N 3.28Å
131	V	86.3	Confident	83.1	Confident	52 Å²	52	57.9 Å²	57.9	32%	0.315	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	112.7	-175.5	-176.6	0	0	0	0	110.8	D129 D133 V169	D129-V131 VanDerWaalsContact C-N 3.3Å; D129-V131 PolarHBondContact OD1-N 3.28Å; V131-D133 PolarHBondContact O-N 2.81Å; V131-V169 WeakPolarHBondContact CA-O 3.19Å
132	I	83.9	Confident	82.8	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.2	179.1	-62.2	169.8	0	0	0	110.7	F121 C124 D125 E136 I137 G168 V169 F174	F121-I132 HydrophobicContact CB-CD1 4.48Å; F121-I132 HydrophobicContact CD2-CD1 3.2Å; F121-I132 HydrophobicContact CD2-CG1 3.92Å; F121-I132 HydrophobicContact CE1-CG1 4.44Å; F121-I132 HydrophobicContact CE2-CB 4.43Å; F121-I132 HydrophobicContact CE2-CD1 3.35Å; F121-I132 HydrophobicContact CE2-CG1 3.56Å; F121-I132 HydrophobicContact CG-CD1 3.87Å; F121-I132 HydrophobicContact CZ-CD1 4.09Å; F121-I132 HydrophobicContact CZ-CG1 3.84Å; C124-I132 HydrophobicContact CB-CD1 3.44Å; C124-I132 VanDerWaalsContact CB-CD1 3.44Å; C124-I132 HydrophobicContact CB-CG1 3.99Å; C124-I132 HydrophobicContact CB-CG2 4.41Å; D125-I132 HydrophobicContact CB-CG1 4.15Å; I132-E136 WeakPolarHBondContact CA-OE2 3.47Å; I132-E136 HydrophobicContact CG2-CB 4.11Å; I132-I137 HydrophobicContact CG2-CD1 4.16Å; I132-I137 HydrophobicContact CG2-CG1 3.43Å; I132-I137 VanDerWaalsContact CG2-CG1 3.43Å; I132-G168 CarbonylContact O-C 3.2Å; I132-G168 WeakPolarHBondContact O-CA 3.39Å; I132-V169 PolarHBondContact N-O 3.24Å; I132-V169 PolarHBondContact O-N 2.61Å; I132-F174 HydrophobicContact CD1-CD2 3.94Å; I132-F174 HydrophobicContact CD1-CE2 4.08Å
133	D	84.6	Confident	82.6	Confident	30 Å²	30	63.8 Å²	63.8	16%	0.16	31%	0.314	C	S	.	.			trans	-95.1	173.1	175.5	83.1	23.1	0	0	0	114.7	K127 V131 S135 E136 I137	K127-D133 IonicContact NZ-OD2 3.91Å; K127-D133 PolarHBondContact NZ-OD2 3.39Å; V131-D133 PolarHBondContact O-N 2.81Å; D133-S135 PolarHBondContact O-N 2.98Å; D133-S135 VanDerWaalsContact OD1-CA 3.23Å; D133-S135 WeakPolarHBondContact OD1-CA 3.48Å; D133-S135 WeakPolarHBondContact OD1-CB 3.24Å; D133-S135 PolarHBondContact OD1-N 3.44Å; D133-S135 PolarHBondContact OD1-OG 2.71Å; D133-E136 PolarHBondContact N-OE2 2.86Å; D133-E136 PolarHBondContact O-N 3.13Å; D133-E136 PolarHBondContact OD1-N 3.47Å; D133-I137 PolarHBondContact O-N 2.82Å
134	S	82.9	Confident	82.1	Confident	24 Å²	24	61.3 Å²	61.3	17%	0.168	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-22.1	-177.7	66.8	0	0	0	0	114.1	M138 S153 V157	S134-M138 VanDerWaalsContact O-CB 3.31Å; S134-M138 WeakPolarHBondContact O-CB 3.3Å; S134-M138 PolarHBondContact O-N 2.82Å; S134-S153 WeakPolarHBondContact O-CB 3.45Å; S134-S153 PolarHBondContact O-OG 2.74Å; S134-V157 VanDerWaalsContact CA-CG2 3.48Å
135	S	83.9	Confident	81.4	Confident	67 Å²	67	63.3 Å²	63.3	47%	0.469	32%	0.323	S	S	.	.	H	α-helix	trans	-81	-38.6	178.2	-32.9	0	0	0	0	110.3	D133 M138 H139	D133-S135 PolarHBondContact O-N 2.98Å; D133-S135 VanDerWaalsContact OD1-CA 3.23Å; D133-S135 WeakPolarHBondContact OD1-CA 3.48Å; D133-S135 WeakPolarHBondContact OD1-CB 3.24Å; D133-S135 PolarHBondContact OD1-N 3.44Å; D133-S135 PolarHBondContact OD1-OG 2.71Å; S135-M138 PolarHBondContact O-N 3.38Å; S135-H139 WeakPolarHBondContact O-CB 3.42Å; S135-H139 PolarHBondContact O-N 3.37Å
136	E	85.7	Confident	80.4	Confident	10 Å²	10	63 Å²	63	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-44.2	177.2	-72.6	177.4	139.3	0	0	112.1	R126 K127 I132 D133 M138 H139 Y140	R126-E136 HydrophobicContact CB-CG 4.37Å; R126-E136 PolarHBondContact N-OE1 2.68Å; K127-E136 VanDerWaalsContact CB-OE1 3.3Å; K127-E136 WeakPolarHBondContact CB-OE1 3.38Å; K127-E136 VanDerWaalsContact CG-OE1 3.22Å; K127-E136 WeakPolarHBondContact CG-OE1 3.41Å; K127-E136 PolarHBondContact N-OE1 3.37Å; I132-E136 WeakPolarHBondContact CA-OE2 3.47Å; I132-E136 HydrophobicContact CG2-CB 4.11Å; D133-E136 PolarHBondContact N-OE2 2.86Å; D133-E136 PolarHBondContact O-N 3.13Å; D133-E136 PolarHBondContact OD1-N 3.47Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.11Å; E136-H139 PolarHBondContact O-N 3.07Å; E136-Y140 WeakPolarHBondContact O-CB 3.08Å; E136-Y140 PolarHBondContact O-N 3.28Å
137	I	78.7	Confident	79.4	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.046	31%	0.309	C	S	.	.	H	α-helix	trans	-57.5	-47.6	170.9	-64.5	-179.2	0	0	0	110.2	I132 D133 H139 Y140 L141 M156 V157 M160	I132-I137 HydrophobicContact CG2-CD1 4.16Å; I132-I137 HydrophobicContact CG2-CG1 3.43Å; I132-I137 VanDerWaalsContact CG2-CG1 3.43Å; D133-I137 PolarHBondContact O-N 2.82Å; I137-H139 VanDerWaalsContact C-N 3.27Å; I137-H139 PolarHBondContact O-N 3.02Å; I137-Y140 PolarHBondContact O-N 3.31Å; I137-L141 HydrophobicContact CG2-CD1 3.61Å; I137-L141 HydrophobicContact CG2-CG 4.08Å; I137-L141 WeakPolarHBondContact O-CB 3.26Å; I137-L141 VanDerWaalsContact O-CG 3.23Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 3.42Å; I137-M156 HydrophobicContact CD1-CB 4.37Å; I137-M156 HydrophobicContact CG2-SD 4.08Å; I137-V157 HydrophobicContact CD1-CB 4.46Å; I137-V157 HydrophobicContact CD1-CG2 3.43Å; I137-V157 VanDerWaalsContact CD1-CG2 3.43Å; I137-V157 HydrophobicContact CG1-CG2 4.38Å; I137-M160 HydrophobicContact CD1-CE 3.21Å; I137-M160 HydrophobicContact CG1-CE 4.36Å
138	M	79.9	Confident	78.5	Confident	65 Å²	65	52.6 Å²	52.6	32%	0.32	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-42.5	-179	-171.3	179.9	72.6	0	0	110.7	S134 S135 E136 E142	S134-M138 VanDerWaalsContact O-CB 3.31Å; S134-M138 WeakPolarHBondContact O-CB 3.3Å; S134-M138 PolarHBondContact O-N 2.82Å; S135-M138 PolarHBondContact O-N 3.38Å; E136-M138 VanDerWaalsContact C-N 3.3Å; E136-M138 PolarHBondContact O-N 3.11Å; M138-E142 VanDerWaalsContact O-CB 3.24Å; M138-E142 WeakPolarHBondContact O-CB 3.33Å; M138-E142 PolarHBondContact O-N 3.49Å
139	H	83.8	Confident	77.9	Confident	80 Å²	80	47.3 Å²	47.3	37%	0.37	27%	0.272	S	S	.	.	H	α-helix	trans	-69.1	-40.5	178.3	-169	56.6	0	0	0	113	R126 S135 E136 I137 E142 K143	R126-H139 PolarHBondContact NH1-CD2 3.42Å; R126-H139 PolarHBondContact NH1-NE2 3.28Å; S135-H139 WeakPolarHBondContact O-CB 3.42Å; S135-H139 PolarHBondContact O-N 3.37Å; E136-H139 PolarHBondContact O-N 3.07Å; I137-H139 VanDerWaalsContact C-N 3.27Å; I137-H139 PolarHBondContact O-N 3.02Å; H139-E142 PolarHBondContact O-N 2.88Å; H139-K143 WeakPolarHBondContact O-CB 3.29Å; H139-K143 PolarHBondContact O-N 3.48Å
140	Y	81.9	Confident	77.3	Confident	25 Å²	25	45.8 Å²	45.8	10%	0.098	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-43.8	176.3	-179.6	-101.8	0	0	0	111.4	D123 C124 E136 I137 K143 L144 P186	D123-Y140 HydrophobicContact CB-CE2 4.21Å; D123-Y140 WeakPolarHBondContact OD2-CE2 3.32Å; C124-Y140 HydrophobicContact CB-CD2 4.46Å; C124-Y140 HydrophobicContact CB-CG 4.44Å; C124-Y140 WeakPolarHBondContact SG-CD1 3.49Å; C124-Y140 VanDerWaalsContact SG-CD2 3.54Å; E136-Y140 WeakPolarHBondContact O-CB 3.08Å; E136-Y140 PolarHBondContact O-N 3.28Å; I137-Y140 PolarHBondContact O-N 3.31Å; Y140-K143 WeakPolarHBondContact O-CB 3.37Å; Y140-K143 PolarHBondContact O-N 3.22Å; Y140-L144 HydrophobicContact CD1-CD1 3.88Å; Y140-L144 HydrophobicContact CE1-CD1 3.37Å; Y140-L144 HydrophobicContact CE1-CG 4.34Å; Y140-L144 WeakPolarHBondContact O-CG 3.03Å; Y140-L144 PolarHBondContact O-N 3.29Å; Y140-P186 HydrophobicContact CE1-CB 4.44Å
141	L	75.8	Confident	76.6	Confident	8 Å²	8	48.6 Å²	48.6	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-38.1	176.1	-66.9	-178.6	0	0	0	111.8	I137 L144 G145 V146 V148 M156 A190	I137-L141 HydrophobicContact CG2-CD1 3.61Å; I137-L141 HydrophobicContact CG2-CG 4.08Å; I137-L141 WeakPolarHBondContact O-CB 3.26Å; I137-L141 VanDerWaalsContact O-CG 3.23Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 3.42Å; L141-L144 CarbonylContact O-C 3.53Å; L141-L144 PolarHBondContact O-N 2.99Å; L141-L144 VanDerWaalsContact O-N 3.15Å; L141-G145 PolarHBondContact O-N 3.36Å; L141-V146 CarbonylContact C-O 3.56Å; L141-V146 HydrophobicContact CB-CB 4.39Å; L141-V146 WeakPolarHBondContact CB-O 3.44Å; L141-V146 CarbonylContact O-C 3.48Å; L141-V146 WeakPolarHBondContact O-CA 3.35Å; L141-V146 PolarHBondContact O-N 2.88Å; L141-V146 VanDerWaalsContact O-O 3.11Å; L141-V148 HydrophobicContact CB-CG2 4.02Å; L141-V148 HydrophobicContact CD1-CB 4.28Å; L141-V148 HydrophobicContact CD1-CG2 3.51Å; L141-V148 HydrophobicContact CG-CG2 4.4Å; L141-M156 HydrophobicContact CD1-CE 4.24Å; L141-M156 HydrophobicContact CD1-SD 3.74Å; L141-A190 HydrophobicContact CD2-CB 3.51Å
142	E	78.2	Confident	75.5	Confident	124 Å²	124	48.6 Å²	48.6	58%	0.579	28%	0.283	S	S	*	.	H	α-helix	trans	-62.1	-42.1	172.8	-172.1	175.3	-151.4	0	0	111.7	M138 H139 L144 G145	M138-E142 VanDerWaalsContact O-CB 3.24Å; M138-E142 WeakPolarHBondContact O-CB 3.33Å; M138-E142 PolarHBondContact O-N 3.49Å; H139-E142 PolarHBondContact O-N 2.88Å; E142-L144 PolarHBondContact O-N 3.22Å; E142-G145 PolarHBondContact O-N 2.85Å
143	K	79.7	Confident	74.9	Confident	130 Å²	130	48.5 Å²	48.5	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-60.3	-32.7	173.1	-177.5	-172.6	174.6	-165.2	0	112.1	D123 H139 Y140 G145	D123-K143 VanDerWaalsContact CG-NZ 3.33Å; D123-K143 IonicContact OD1-NZ 2.71Å; D123-K143 PolarHBondContact OD1-NZ 3.07Å; D123-K143 IonicContact OD2-NZ 3.38Å; D123-K143 PolarHBondContact OD2-NZ 2.89Å; H139-K143 WeakPolarHBondContact O-CB 3.29Å; H139-K143 PolarHBondContact O-N 3.48Å; Y140-K143 WeakPolarHBondContact O-CB 3.37Å; Y140-K143 PolarHBondContact O-N 3.22Å; K143-G145 VanDerWaalsContact C-N 3.28Å; K143-G145 PolarHBondContact O-N 3.49Å
144	L	72.2	Confident	74.5	Confident	32 Å²	32	53.4 Å²	53.4	17%	0.168	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-0.2	174.9	-67.9	175.5	0	0	0	114	Y140 L141 E142 P186 R187	Y140-L144 HydrophobicContact CD1-CD1 3.88Å; Y140-L144 HydrophobicContact CE1-CD1 3.37Å; Y140-L144 HydrophobicContact CE1-CG 4.34Å; Y140-L144 WeakPolarHBondContact O-CG 3.03Å; Y140-L144 PolarHBondContact O-N 3.29Å; L141-L144 CarbonylContact O-C 3.53Å; L141-L144 PolarHBondContact O-N 2.99Å; L141-L144 VanDerWaalsContact O-N 3.15Å; E142-L144 PolarHBondContact O-N 3.22Å; L144-P186 HydrophobicContact CD1-CB 3.94Å; L144-P186 HydrophobicContact CD1-CG 4.47Å; L144-R187 PolarHBondContact O-NH2 3.23Å
145	G	67.1	Low	73.7	Confident	50 Å²	50	55.1 Å²	55.1	52%	0.515	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	13.4	-178.6	0	0	0	0	0	114.3	L141 E142 K143 P147	L141-G145 PolarHBondContact O-N 3.36Å; E142-G145 PolarHBondContact O-N 2.85Å; K143-G145 VanDerWaalsContact C-N 3.28Å; K143-G145 PolarHBondContact O-N 3.49Å; G145-P147 VanDerWaalsContact O-CD 3.26Å; G145-P147 WeakPolarHBondContact O-CD 3.43Å
146	V	65.3	Low	72.9	Confident	5 Å²	5	53 Å²	53	3%	0.03	29%	0.291	C	S	.	.			trans	-105.6	96.6	179	-173.6	0	0	0	0	109.2	L141 V148 A190	L141-V146 CarbonylContact C-O 3.56Å; L141-V146 HydrophobicContact CB-CB 4.39Å; L141-V146 WeakPolarHBondContact CB-O 3.44Å; L141-V146 CarbonylContact O-C 3.48Å; L141-V146 WeakPolarHBondContact O-CA 3.35Å; L141-V146 PolarHBondContact O-N 2.88Å; L141-V146 VanDerWaalsContact O-O 3.11Å; V146-V148 HydrophobicContact CG1-CG2 4.1Å; V146-V148 PolarHBondContact O-N 3.01Å; V146-A190 HydrophobicContact CB-CB 4.18Å; V146-A190 HydrophobicContact CG1-CB 4.12Å; V146-A190 HydrophobicContact CG2-CB 3.79Å
147	P	62.8	Low	72.4	Confident	66 Å²	66	52.6 Å²	52.6	43%	0.429	29%	0.289	S	S	.	.			trans	-69	126.5	176.9	28.1	-33.7	0	0	0	109.8	G145 M317	G145-P147 VanDerWaalsContact O-CD 3.26Å; G145-P147 WeakPolarHBondContact O-CD 3.43Å; P147-M317 HydrophobicContact CG-CB 3.95Å
148	V	64.2	Low	72.2	Confident	18 Å²	18	56 Å²	56	11%	0.109	30%	0.302	C	S	.	.			trans	-125.3	135.1	179	-179.4	0	0	0	0	108.8	L141 V146 Q152 M156	L141-V148 HydrophobicContact CB-CG2 4.02Å; L141-V148 HydrophobicContact CD1-CB 4.28Å; L141-V148 HydrophobicContact CD1-CG2 3.51Å; L141-V148 HydrophobicContact CG-CG2 4.4Å; V146-V148 HydrophobicContact CG1-CG2 4.1Å; V146-V148 PolarHBondContact O-N 3.01Å; V148-Q152 HydrophobicContact CG1-CB 3.37Å; V148-M156 HydrophobicContact CG1-CE 3.88Å; V148-M156 HydrophobicContact CG1-SD 4.07Å; V148-M156 HydrophobicContact CG2-CE 4.27Å
149	T	70.1	Confident	71.6	Confident	70 Å²	70	57.4 Å²	57.4	43%	0.429	31%	0.306	S	S	.	.			trans	-72.6	152.2	175.3	60.3	0	0	0	0	110.6	S151 Q152 S153	T149-S151 PolarHBondContact O-N 3.12Å; T149-Q152 WeakPolarHBondContact O-CB 3.37Å; T149-Q152 PolarHBondContact O-N 3.34Å; T149-Q152 WeakPolarHBondContact OG1-CB 3.36Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.42Å; T149-Q152 PolarHBondContact OG1-N 3.32Å; T149-Q152 PolarHBondContact OG1-OE1 3.5Å; T149-S153 PolarHBondContact O-N 3.05Å
150	A	74.5	Confident	70.9	Confident	60 Å²	60	54.3 Å²	54.3	50%	0.496	29%	0.292	S	S	.	.	H	α-helix	trans	-55.8	-27.2	176.8	0	0	0	0	0	113.6	S153 K154	A150-S153 PolarHBondContact O-OG 2.93Å; A150-K154 WeakPolarHBondContact O-CB 3.15Å; A150-K154 VanDerWaalsContact O-CG 3.32Å; A150-K154 WeakPolarHBondContact O-CG 3.23Å; A150-K154 PolarHBondContact O-N 3.46Å
151	S	67.5	Low	70.3	Confident	93 Å²	93	53.7 Å²	53.7	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-72.8	-40.7	174	-170.8	0	0	0	0	112.2	T149 E155	T149-S151 PolarHBondContact O-N 3.12Å; S151-E155 WeakPolarHBondContact O-CB 3.35Å; S151-E155 PolarHBondContact O-N 3.36Å; S151-E155 VanDerWaalsContact O-N 3.09Å
152	Q	63.7	Low	69.6	Low	51 Å²	51	58.1 Å²	58.1	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-68.6	-39.8	177.7	-74	164.3	-26.9	0	0	110.9	V148 T149 E155 M156 L197	V148-Q152 HydrophobicContact CG1-CB 3.37Å; T149-Q152 WeakPolarHBondContact O-CB 3.37Å; T149-Q152 PolarHBondContact O-N 3.34Å; T149-Q152 WeakPolarHBondContact OG1-CB 3.36Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.42Å; T149-Q152 PolarHBondContact OG1-N 3.32Å; T149-Q152 PolarHBondContact OG1-OE1 3.5Å; Q152-E155 PolarHBondContact O-N 3.34Å; Q152-M156 VanDerWaalsContact O-CG 3.23Å; Q152-M156 WeakPolarHBondContact O-CG 3.27Å; Q152-M156 PolarHBondContact O-N 3.34Å; Q152-L197 HydrophobicContact CG-CD1 4.04Å
153	S	71.7	Confident	68.9	Low	2 Å²	2	56.9 Å²	56.9	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-67.3	-39.7	177.7	68.4	0	0	0	0	112.2	S134 T149 A150 E155 M156 V157	S134-S153 WeakPolarHBondContact O-CB 3.45Å; S134-S153 PolarHBondContact O-OG 2.74Å; T149-S153 PolarHBondContact O-N 3.05Å; A150-S153 PolarHBondContact O-OG 2.93Å; S153-E155 VanDerWaalsContact C-N 3.32Å; S153-E155 PolarHBondContact O-N 3.04Å; S153-M156 WeakPolarHBondContact O-CB 3.2Å; S153-M156 PolarHBondContact O-N 2.69Å; S153-V157 WeakPolarHBondContact O-CG2 3.2Å; S153-V157 PolarHBondContact O-N 2.9Å
154	K	75.7	Confident	67.8	Low	132 Å²	132	56.6 Å²	56.6	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-59.8	-41.7	171.2	-79.4	-177.6	179.4	-170.8	0	112.6	A150 M156 V157 R158	A150-K154 WeakPolarHBondContact O-CB 3.15Å; A150-K154 VanDerWaalsContact O-CG 3.32Å; A150-K154 WeakPolarHBondContact O-CG 3.23Å; A150-K154 PolarHBondContact O-N 3.46Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-M156 PolarHBondContact O-N 3.37Å; K154-V157 PolarHBondContact O-N 3.03Å; K154-R158 WeakPolarHBondContact O-CB 3.44Å; K154-R158 PolarHBondContact O-N 3.46Å
155	E	65.1	Low	67.1	Low	61 Å²	61	61 Å²	61	29%	0.285	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-37.5	176.7	-175.9	60.9	-169.9	0	0	111.9	S151 Q152 S153 R158 K159	S151-E155 WeakPolarHBondContact O-CB 3.35Å; S151-E155 PolarHBondContact O-N 3.36Å; S151-E155 VanDerWaalsContact O-N 3.09Å; Q152-E155 PolarHBondContact O-N 3.34Å; S153-E155 VanDerWaalsContact C-N 3.32Å; S153-E155 PolarHBondContact O-N 3.04Å; E155-R158 PolarHBondContact O-N 3.14Å; E155-R158 IonicContact OE1-CZ 2.82Å; E155-R158 IonicContact OE1-NE 3.12Å; E155-R158 IonicContact OE1-NH2 2.68Å; E155-R158 PolarHBondContact OE1-NH2 3.22Å; E155-R158 IonicContact OE2-CZ 2.62Å; E155-R158 IonicContact OE2-NE 3.87Å; E155-R158 PolarHBondContact OE2-NE 2.94Å; E155-R158 IonicContact OE2-NH2 3.62Å; E155-R158 PolarHBondContact OE2-NH2 3.4Å; E155-K159 WeakPolarHBondContact O-CG 3.3Å; E155-K159 PolarHBondContact O-N 2.85Å
156	M	66.6	Low	66.7	Low	22 Å²	22	59.9 Å²	59.9	11%	0.108	34%	0.342	C	S	.	.	H	α-helix	trans	-63.3	-46.5	174.1	-68.3	163.3	-178.5	0	0	111.6	I137 L141 V148 Q152 S153 K154 R158 K159 M160 W193	I137-M156 HydrophobicContact CD1-CB 4.37Å; I137-M156 HydrophobicContact CG2-SD 4.08Å; L141-M156 HydrophobicContact CD1-CE 4.24Å; L141-M156 HydrophobicContact CD1-SD 3.74Å; V148-M156 HydrophobicContact CG1-CE 3.88Å; V148-M156 HydrophobicContact CG1-SD 4.07Å; V148-M156 HydrophobicContact CG2-CE 4.27Å; Q152-M156 VanDerWaalsContact O-CG 3.23Å; Q152-M156 WeakPolarHBondContact O-CG 3.27Å; Q152-M156 PolarHBondContact O-N 3.34Å; S153-M156 WeakPolarHBondContact O-CB 3.2Å; S153-M156 PolarHBondContact O-N 2.69Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-M156 PolarHBondContact O-N 3.37Å; M156-R158 VanDerWaalsContact C-N 3.31Å; M156-R158 PolarHBondContact O-N 3.44Å; M156-K159 PolarHBondContact O-N 3.03Å; M156-M160 HydrophobicContact CB-CE 4.42Å; M156-M160 WeakPolarHBondContact O-CE 3.31Å; M156-M160 WeakPolarHBondContact O-CG 3.1Å; M156-M160 PolarHBondContact O-N 3.38Å; M156-M160 VanDerWaalsContact O-N 3.14Å; M156-W193 HydrophobicContact CB-CE3 4.35Å; M156-W193 HydrophobicContact CB-CH2 4.42Å; M156-W193 HydrophobicContact CB-CZ3 3.87Å; M156-W193 HydrophobicContact CE-CB 3.92Å; M156-W193 HydrophobicContact CE-CD2 4.35Å; M156-W193 HydrophobicContact CE-CE3 3.6Å; M156-W193 HydrophobicContact CE-CZ3 4.4Å; M156-W193 HydrophobicContact CG-CD2 4.42Å; M156-W193 HydrophobicContact CG-CE3 3.61Å; M156-W193 HydrophobicContact CG-CH2 4.48Å; M156-W193 HydrophobicContact CG-CZ3 3.64Å; M156-W193 HydrophobicContact SD-CE3 3.43Å; M156-W193 HydrophobicContact SD-CZ3 3.61Å
157	V	76.7	Confident	66.6	Low	1 Å²	1	61.7 Å²	61.7	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-47	173.9	174.3	0	0	0	0	110.5	S134 I137 S153 K154 K159 M160 G161 V169	S134-V157 VanDerWaalsContact CA-CG2 3.48Å; I137-V157 HydrophobicContact CD1-CB 4.46Å; I137-V157 HydrophobicContact CD1-CG2 3.43Å; I137-V157 VanDerWaalsContact CD1-CG2 3.43Å; I137-V157 HydrophobicContact CG1-CG2 4.38Å; S153-V157 WeakPolarHBondContact O-CG2 3.2Å; S153-V157 PolarHBondContact O-N 2.9Å; K154-V157 PolarHBondContact O-N 3.03Å; V157-K159 VanDerWaalsContact C-N 3.28Å; V157-K159 PolarHBondContact O-N 3.28Å; V157-M160 PolarHBondContact O-N 3.15Å; V157-G161 PolarHBondContact O-N 3.18Å; V157-V169 HydrophobicContact CB-CG2 4.4Å; V157-V169 HydrophobicContact CG1-CG2 3.94Å
158	R	73.2	Confident	67.3	Low	81 Å²	81	58.8 Å²	58.8	31%	0.306	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-33.9	-178.7	-169.3	179.6	72.7	127.8	11.7	112.8	K154 E155 M156 G161	K154-R158 WeakPolarHBondContact O-CB 3.44Å; K154-R158 PolarHBondContact O-N 3.46Å; E155-R158 PolarHBondContact O-N 3.14Å; E155-R158 IonicContact OE1-CZ 2.82Å; E155-R158 IonicContact OE1-NE 3.12Å; E155-R158 IonicContact OE1-NH2 2.68Å; E155-R158 PolarHBondContact OE1-NH2 3.22Å; E155-R158 IonicContact OE2-CZ 2.62Å; E155-R158 IonicContact OE2-NE 3.87Å; E155-R158 PolarHBondContact OE2-NE 2.94Å; E155-R158 IonicContact OE2-NH2 3.62Å; E155-R158 PolarHBondContact OE2-NH2 3.4Å; M156-R158 VanDerWaalsContact C-N 3.31Å; M156-R158 PolarHBondContact O-N 3.44Å; R158-G161 VanDerWaalsContact O-O 3.12Å
159	K	67.1	Low	68.2	Low	95 Å²	95	57.9 Å²	57.9	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-74.9	-29.9	176.7	-77.5	-168.9	172.4	-161.4	0	113.3	E155 M156 V157 F177 D412	E155-K159 WeakPolarHBondContact O-CG 3.3Å; E155-K159 PolarHBondContact O-N 2.85Å; M156-K159 PolarHBondContact O-N 3.03Å; V157-K159 VanDerWaalsContact C-N 3.28Å; V157-K159 PolarHBondContact O-N 3.28Å; K159-F177 WeakPolarHBondContact O-CE2 3.44Å; K159-D412 VanDerWaalsContact NZ-CG 3.28Å; K159-D412 IonicContact NZ-OD1 2.61Å; K159-D412 PolarHBondContact NZ-OD1 3.26Å; K159-D412 IonicContact NZ-OD2 3.99Å; K159-D412 PolarHBondContact NZ-OD2 3.13Å; K159-D412 VanDerWaalsContact NZ-OD2 3.07Å
160	M	71	Confident	68.9	Low	14 Å²	14	55.9 Å²	55.9	7%	0.069	33%	0.329	C	S	.	.	H	α-helix	trans	-87.6	-39	-179.7	-71	-171.6	-75.2	0	0	112.7	I137 M156 V157 V169 F174 F177 F178 W193	I137-M160 HydrophobicContact CD1-CE 3.21Å; I137-M160 HydrophobicContact CG1-CE 4.36Å; M156-M160 HydrophobicContact CB-CE 4.42Å; M156-M160 WeakPolarHBondContact O-CE 3.31Å; M156-M160 WeakPolarHBondContact O-CG 3.1Å; M156-M160 PolarHBondContact O-N 3.38Å; M156-M160 VanDerWaalsContact O-N 3.14Å; V157-M160 PolarHBondContact O-N 3.15Å; M160-V169 HydrophobicContact CB-CB 4.38Å; M160-V169 HydrophobicContact CB-CG1 3.78Å; M160-V169 HydrophobicContact CB-CG2 3.63Å; M160-V169 HydrophobicContact CE-CG2 4.08Å; M160-F174 HydrophobicContact SD-CD2 4.36Å; M160-F177 HydrophobicContact CB-CG 4.48Å; M160-F177 HydrophobicContact CG-CB 4.46Å; M160-F177 HydrophobicContact CG-CD1 3.85Å; M160-F177 HydrophobicContact CG-CD2 4.14Å; M160-F177 HydrophobicContact CG-CE1 4.1Å; M160-F177 HydrophobicContact CG-CE2 4.36Å; M160-F177 HydrophobicContact CG-CG 3.88Å; M160-F177 HydrophobicContact CG-CZ 4.34Å; M160-F177 HydrophobicContact SD-CD1 4.44Å; M160-F178 HydrophobicContact SD-CE2 3.37Å; M160-F178 WeakPolarHBondContact SD-CE2 3.18Å; M160-F178 HydrophobicContact SD-CZ 3.58Å; M160-F178 VanDerWaalsContact SD-CZ 3.58Å; M160-W193 HydrophobicContact CE-CH2 3.97Å; M160-W193 HydrophobicContact SD-CH2 3.91Å
161	G	69.2	Low	69.4	Low	12 Å²	12	55.8 Å²	55.8	12%	0.124	32%	0.32	C	S	.	.	S	Bend	trans	-85.8	154.1	-180	0	0	0	0	0	112.3	V157 R158 Q163	V157-G161 PolarHBondContact O-N 3.18Å; R158-G161 VanDerWaalsContact O-O 3.12Å; G161-Q163 VanDerWaalsContact C-N 3.27Å
162	S	60.3	Low	70	Confident	102 Å²	102	56.6 Å²	56.6	71%	0.713	32%	0.317	S	S	*	.	S	Bend	trans	-81.4	-7.4	172.7	-46.4	0	0	0	0	113.2	Q173	S162-Q173 PolarHBondContact OG-NE2 2.96Å
163	Q	62.4	Low	70.8	Confident	97 Å²	97	55.6 Å²	55.6	45%	0.453	31%	0.312	S	S	.	.			trans	-90.9	124.6	-172.8	-59	-168.3	-19.1	0	0	111.9	G161 D165 G166	G161-Q163 VanDerWaalsContact C-N 3.27Å; Q163-D165 WeakPolarHBondContact CB-OD1 3.18Å; Q163-D165 PolarHBondContact O-N 3.11Å; Q163-G166 PolarHBondContact O-N 2.87Å
164	P	56.7	Low	71.2	Confident	124 Å²	124	55.9 Å²	55.9	81%	0.805	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.1	-175	24.6	-32.2	0	0	0	114.5
165	D	57.7	Low	71.3	Confident	126 Å²	126	50.5 Å²	50.5	67%	0.674	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.3	-179.2	56	-0.8	0	0	0	113.7	Q163 G167	Q163-D165 WeakPolarHBondContact CB-OD1 3.18Å; Q163-D165 PolarHBondContact O-N 3.11Å; D165-G167 VanDerWaalsContact C-N 3.31Å; D165-G167 PolarHBondContact OD1-N 3.27Å
166	G	59.5	Low	71.7	Confident	25 Å²	25	51 Å²	51	26%	0.258	30%	0.3	S	S	.	.			trans	70	28.7	-176.4	0	0	0	0	0	112.8	Q163 G168	Q163-G166 PolarHBondContact O-N 2.87Å; G166-G168 PolarHBondContact O-N 3.11Å
167	G	63.9	Low	71.8	Confident	44 Å²	44	52.6 Å²	52.6	45%	0.454	31%	0.307	S	S	.	.			trans	-64.4	12.3	-178	0	0	0	0	0	117	D165	D165-G167 VanDerWaalsContact C-N 3.31Å; D165-G167 PolarHBondContact OD1-N 3.27Å
168	G	77.2	Confident	71.6	Confident	4 Å²	4	52.7 Å²	52.7	4%	0.041	31%	0.307	C	S	.	.			trans	101	168.5	177.7	0	0	0	0	0	113.7	I132 G166	I132-G168 CarbonylContact O-C 3.2Å; I132-G168 WeakPolarHBondContact O-CA 3.39Å; G166-G168 PolarHBondContact O-N 3.11Å
169	V	81.5	Confident	71.5	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.8	-175	-171.3	0	0	0	0	109.4	F121 V131 I132 V157 M160 Q173 F174	F121-V169 WeakPolarHBondContact CE2-O 3.5Å; V131-V169 WeakPolarHBondContact CA-O 3.19Å; I132-V169 PolarHBondContact N-O 3.24Å; I132-V169 PolarHBondContact O-N 2.61Å; V157-V169 HydrophobicContact CB-CG2 4.4Å; V157-V169 HydrophobicContact CG1-CG2 3.94Å; M160-V169 HydrophobicContact CB-CB 4.38Å; M160-V169 HydrophobicContact CB-CG1 3.78Å; M160-V169 HydrophobicContact CB-CG2 3.63Å; M160-V169 HydrophobicContact CE-CG2 4.08Å; V169-Q173 HydrophobicContact CG1-CB 3.8Å; V169-F174 HydrophobicContact CG1-CB 4Å
170	A	86.4	Confident	71.3	Confident	27 Å²	27	48.5 Å²	48.5	22%	0.223	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	160.5	174.3	0	0	0	0	0	111.6	D172 Q173 F174	A170-D172 VanDerWaalsContact C-N 3.28Å; A170-D172 WeakPolarHBondContact CB-OD1 3.42Å; A170-D172 PolarHBondContact O-N 3.13Å; A170-Q173 WeakPolarHBondContact O-CB 3.28Å; A170-Q173 PolarHBondContact O-N 3.44Å; A170-Q173 VanDerWaalsContact O-N 3.08Å; A170-F174 PolarHBondContact O-N 3.5Å
171	L	83.8	Confident	70.8	Confident	59 Å²	59	50.2 Å²	50.2	31%	0.309	30%	0.298	S	S	.	.	H	α-helix	trans	-56.4	-39.8	-177.5	177.1	64.9	0	0	0	112.8	T118 F121 Q173 F174 L175	T118-L171 HydrophobicContact CG2-CD1 4.21Å; T118-L171 HydrophobicContact CG2-CD2 4.18Å; F121-L171 HydrophobicContact CB-CD1 3.7Å; F121-L171 HydrophobicContact CD1-CB 4.24Å; F121-L171 HydrophobicContact CD1-CD1 3.8Å; F121-L171 HydrophobicContact CD2-CB 4.45Å; F121-L171 HydrophobicContact CD2-CD1 3.97Å; F121-L171 HydrophobicContact CE1-CB 4.03Å; F121-L171 HydrophobicContact CE1-CD1 4.45Å; F121-L171 HydrophobicContact CE2-CB 4.24Å; F121-L171 HydrophobicContact CG-CB 4.46Å; F121-L171 HydrophobicContact CG-CD1 3.53Å; F121-L171 HydrophobicContact CZ-CB 4.03Å; L171-Q173 VanDerWaalsContact C-N 3.35Å; L171-Q173 PolarHBondContact O-N 2.83Å; L171-F174 PolarHBondContact O-N 3.43Å; L171-L175 HydrophobicContact CD1-CD1 4.03Å; L171-L175 HydrophobicContact CD1-CD2 4.45Å; L171-L175 HydrophobicContact CD1-CG 3.91Å; L171-L175 HydrophobicContact CD2-CD1 4.49Å; L171-L175 HydrophobicContact CG-CD1 3.91Å; L171-L175 HydrophobicContact CG-CG 4.21Å; L171-L175 VanDerWaalsContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.32Å; L171-L175 PolarHBondContact O-N 2.94Å
172	D	80.5	Confident	70.2	Confident	109 Å²	109	50.6 Å²	50.6	58%	0.583	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-40.3	177.9	66.9	-47.7	0	0	0	112	A170 S176	A170-D172 VanDerWaalsContact C-N 3.28Å; A170-D172 WeakPolarHBondContact CB-OD1 3.42Å; A170-D172 PolarHBondContact O-N 3.13Å; D172-S176 VanDerWaalsContact O-CB 3.25Å; D172-S176 WeakPolarHBondContact O-CB 3.25Å; D172-S176 PolarHBondContact O-N 3.36Å; D172-S176 PolarHBondContact O-OG 3.28Å
173	Q	80.7	Confident	69.9	Low	30 Å²	30	46.6 Å²	46.6	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-46.9	175.4	-66.8	175.3	-19.4	0	0	110.8	S162 V169 A170 L171 S176 F177	S162-Q173 PolarHBondContact OG-NE2 2.96Å; V169-Q173 HydrophobicContact CG1-CB 3.8Å; A170-Q173 WeakPolarHBondContact O-CB 3.28Å; A170-Q173 PolarHBondContact O-N 3.44Å; A170-Q173 VanDerWaalsContact O-N 3.08Å; L171-Q173 VanDerWaalsContact C-N 3.35Å; L171-Q173 PolarHBondContact O-N 2.83Å; Q173-S176 WeakPolarHBondContact CA-OG 3.22Å; Q173-S176 PolarHBondContact O-N 2.83Å; Q173-S176 PolarHBondContact O-OG 2.75Å; Q173-F177 WeakPolarHBondContact O-CB 3.43Å; Q173-F177 PolarHBondContact O-N 2.73Å
174	F	78.9	Confident	69.4	Low	8 Å²	8	43.6 Å²	43.6	4%	0.035	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-50.2	176.3	-176.8	-87.7	0	0	0	111.4	L117 V120 F121 I132 M160 V169 A170 L171 S176 F177 F178	L117-F174 HydrophobicContact CB-CE1 4.27Å; L117-F174 HydrophobicContact CD2-CE1 4.18Å; L117-F174 WeakPolarHBondContact O-CE1 3.33Å; V120-F174 HydrophobicContact CB-CZ 4.44Å; V120-F174 HydrophobicContact CG1-CZ 3.95Å; F121-F174 HydrophobicContact CB-CD1 4.04Å; F121-F174 HydrophobicContact CB-CE1 4.09Å; F121-F174 HydrophobicContact CB-CG 4.47Å; F121-F174 HydrophobicContact CD2-CB 3.53Å; F121-F174 AromaticContact CD2-CD1 3.88Å; F121-F174 HydrophobicContact CD2-CD1 3.88Å; F121-F174 AromaticContact CD2-CD2 3.81Å; F121-F174 HydrophobicContact CD2-CD2 3.81Å; F121-F174 HydrophobicContact CD2-CE2 4.46Å; F121-F174 AromaticContact CD2-CG 3.49Å; F121-F174 HydrophobicContact CD2-CG 3.49Å; F121-F174 VanDerWaalsContact CD2-CG 3.49Å; F121-F174 HydrophobicContact CE2-CB 3.84Å; F121-F174 HydrophobicContact CE2-CD2 4.46Å; F121-F174 HydrophobicContact CE2-CG 4.23Å; F121-F174 HydrophobicContact CG-CD1 4.45Å; F121-F174 HydrophobicContact CG-CG 4.45Å; I132-F174 HydrophobicContact CD1-CD2 3.94Å; I132-F174 HydrophobicContact CD1-CE2 4.08Å; M160-F174 HydrophobicContact SD-CD2 4.36Å; V169-F174 HydrophobicContact CG1-CB 4Å; A170-F174 PolarHBondContact O-N 3.5Å; L171-F174 PolarHBondContact O-N 3.43Å; F174-S176 PolarHBondContact O-N 3.39Å; F174-F177 PolarHBondContact O-N 2.87Å; F174-F178 AromaticContact CD1-CD2 3.76Å; F174-F178 HydrophobicContact CD1-CD2 3.76Å; F174-F178 HydrophobicContact CD1-CE2 4.4Å; F174-F178 AromaticContact CD2-CD2 3.63Å; F174-F178 HydrophobicContact CD2-CD2 3.63Å; F174-F178 AromaticContact CD2-CE2 3.44Å; F174-F178 HydrophobicContact CD2-CE2 3.44Å; F174-F178 VanDerWaalsContact CD2-CE2 3.44Å; F174-F178 AromaticContact CE1-CD2 3.61Å; F174-F178 HydrophobicContact CE1-CD2 3.61Å; F174-F178 HydrophobicContact CE1-CE2 4.19Å; F174-F178 HydrophobicContact CE1-CG 4.44Å; F174-F178 AromaticContact CE2-CD2 3.51Å; F174-F178 HydrophobicContact CE2-CD2 3.51Å; F174-F178 AromaticContact CE2-CE2 3.19Å; F174-F178 HydrophobicContact CE2-CE2 3.19Å; F174-F178 HydrophobicContact CE2-CZ 4.27Å; F174-F178 AromaticContact CG-CD2 3.74Å; F174-F178 HydrophobicContact CG-CD2 3.74Å; F174-F178 HydrophobicContact CG-CE2 4.05Å; F174-F178 AromaticContact CZ-CD2 3.48Å; F174-F178 HydrophobicContact CZ-CD2 3.48Å; F174-F178 VanDerWaalsContact CZ-CD2 3.48Å; F174-F178 AromaticContact CZ-CE2 3.59Å; F174-F178 HydrophobicContact CZ-CE2 3.59Å; F174-F178 HydrophobicContact CZ-CG 4.44Å; F174-F178 VanDerWaalsContact O-CD2 3.24Å; F174-F178 WeakPolarHBondContact O-CD2 2.94Å; F174-F178 PolarHBondContact O-N 3.03Å
175	L	79.8	Confident	69.3	Low	19 Å²	19	42.7 Å²	42.7	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-46.7	176	-71.9	176.7	0	0	0	110.4	E114 L117 L171 F177 F178 M179	E114-L175 HydrophobicContact CG-CD1 4.02Å; E114-L175 HydrophobicContact CG-CD2 4.04Å; L117-L175 HydrophobicContact CB-CD2 3.4Å; L117-L175 HydrophobicContact CD1-CD2 3.86Å; L117-L175 HydrophobicContact CG-CD2 4.27Å; L171-L175 HydrophobicContact CD1-CD1 4.03Å; L171-L175 HydrophobicContact CD1-CD2 4.45Å; L171-L175 HydrophobicContact CD1-CG 3.91Å; L171-L175 HydrophobicContact CD2-CD1 4.49Å; L171-L175 HydrophobicContact CG-CD1 3.91Å; L171-L175 HydrophobicContact CG-CG 4.21Å; L171-L175 VanDerWaalsContact O-CB 3.3Å; L171-L175 WeakPolarHBondContact O-CB 3.23Å; L171-L175 WeakPolarHBondContact O-CG 3.32Å; L171-L175 PolarHBondContact O-N 2.94Å; L175-F177 PolarHBondContact O-N 3.03Å; L175-F178 PolarHBondContact O-N 3.03Å; L175-M179 WeakPolarHBondContact O-CA 3.31Å; L175-M179 WeakPolarHBondContact O-CB 3.47Å; L175-M179 PolarHBondContact O-N 3.45Å
176	S	73.6	Confident	69.1	Low	71 Å²	71	38.6 Å²	38.6	50%	0.497	22%	0.221	S	C	.	.	H	α-helix	trans	-60.2	-35.4	179.7	76.5	0	0	0	0	113.1	D172 Q173 F174	D172-S176 VanDerWaalsContact O-CB 3.25Å; D172-S176 WeakPolarHBondContact O-CB 3.25Å; D172-S176 PolarHBondContact O-N 3.36Å; D172-S176 PolarHBondContact O-OG 3.28Å; Q173-S176 WeakPolarHBondContact CA-OG 3.22Å; Q173-S176 PolarHBondContact O-N 2.83Å; Q173-S176 PolarHBondContact O-OG 2.75Å; F174-S176 PolarHBondContact O-N 3.39Å
177	F	68.6	Low	68.9	Low	57 Å²	57	41.6 Å²	41.6	25%	0.25	23%	0.225	C	C	.	.	H	α-helix	trans	-75.1	-42.6	179.3	-169.1	-88.9	0	0	0	111.6	K159 M160 Q173 F174 L175 Y181 W193	K159-F177 WeakPolarHBondContact O-CE2 3.44Å; M160-F177 HydrophobicContact CB-CG 4.48Å; M160-F177 HydrophobicContact CG-CB 4.46Å; M160-F177 HydrophobicContact CG-CD1 3.85Å; M160-F177 HydrophobicContact CG-CD2 4.14Å; M160-F177 HydrophobicContact CG-CE1 4.1Å; M160-F177 HydrophobicContact CG-CE2 4.36Å; M160-F177 HydrophobicContact CG-CG 3.88Å; M160-F177 HydrophobicContact CG-CZ 4.34Å; M160-F177 HydrophobicContact SD-CD1 4.44Å; Q173-F177 WeakPolarHBondContact O-CB 3.43Å; Q173-F177 PolarHBondContact O-N 2.73Å; F174-F177 PolarHBondContact O-N 2.87Å; L175-F177 PolarHBondContact O-N 3.03Å; F177-Y181 HydrophobicContact CE1-CE2 4.36Å; F177-Y181 WeakPolarHBondContact O-CD2 3.43Å; F177-W193 HydrophobicContact CE1-CZ2 4.04Å
178	F	71.3	Confident	68.4	Low	2 Å²	2	43.1 Å²	43.1	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-95.5	-6	-174.1	-68.1	-62.6	0	0	0	115.6	L117 M160 F174 L175 F180 Y181 M189 W193	L117-F178 HydrophobicContact CD1-CB 3.85Å; L117-F178 HydrophobicContact CD2-CB 3.53Å; L117-F178 HydrophobicContact CD2-CG 4.36Å; L117-F178 HydrophobicContact CG-CB 4.35Å; M160-F178 HydrophobicContact SD-CE2 3.37Å; M160-F178 WeakPolarHBondContact SD-CE2 3.18Å; M160-F178 HydrophobicContact SD-CZ 3.58Å; M160-F178 VanDerWaalsContact SD-CZ 3.58Å; F174-F178 AromaticContact CD1-CD2 3.76Å; F174-F178 HydrophobicContact CD1-CD2 3.76Å; F174-F178 HydrophobicContact CD1-CE2 4.4Å; F174-F178 AromaticContact CD2-CD2 3.63Å; F174-F178 HydrophobicContact CD2-CD2 3.63Å; F174-F178 AromaticContact CD2-CE2 3.44Å; F174-F178 HydrophobicContact CD2-CE2 3.44Å; F174-F178 VanDerWaalsContact CD2-CE2 3.44Å; F174-F178 AromaticContact CE1-CD2 3.61Å; F174-F178 HydrophobicContact CE1-CD2 3.61Å; F174-F178 HydrophobicContact CE1-CE2 4.19Å; F174-F178 HydrophobicContact CE1-CG 4.44Å; F174-F178 AromaticContact CE2-CD2 3.51Å; F174-F178 HydrophobicContact CE2-CD2 3.51Å; F174-F178 AromaticContact CE2-CE2 3.19Å; F174-F178 HydrophobicContact CE2-CE2 3.19Å; F174-F178 HydrophobicContact CE2-CZ 4.27Å; F174-F178 AromaticContact CG-CD2 3.74Å; F174-F178 HydrophobicContact CG-CD2 3.74Å; F174-F178 HydrophobicContact CG-CE2 4.05Å; F174-F178 AromaticContact CZ-CD2 3.48Å; F174-F178 HydrophobicContact CZ-CD2 3.48Å; F174-F178 VanDerWaalsContact CZ-CD2 3.48Å; F174-F178 AromaticContact CZ-CE2 3.59Å; F174-F178 HydrophobicContact CZ-CE2 3.59Å; F174-F178 HydrophobicContact CZ-CG 4.44Å; F174-F178 VanDerWaalsContact O-CD2 3.24Å; F174-F178 WeakPolarHBondContact O-CD2 2.94Å; F174-F178 PolarHBondContact O-N 3.03Å; L175-F178 PolarHBondContact O-N 3.03Å; F178-F180 PolarHBondContact O-N 2.87Å; F178-Y181 HydrophobicContact CD1-CD2 4.18Å; F178-Y181 HydrophobicContact CD1-CG 4.17Å; F178-Y181 PolarHBondContact O-N 3.36Å; F178-M189 HydrophobicContact CD1-CE 3.75Å; F178-M189 HydrophobicContact CD1-CG 4.4Å; F178-M189 HydrophobicContact CD1-SD 3.22Å; F178-M189 WeakPolarHBondContact CD1-SD 3.39Å; F178-M189 HydrophobicContact CE1-CE 3.31Å; F178-M189 HydrophobicContact CE1-CG 3.78Å; F178-M189 HydrophobicContact CE1-SD 3.06Å; F178-M189 WeakPolarHBondContact CE1-SD 3.36Å; F178-M189 HydrophobicContact CE2-CE 4.24Å; F178-M189 HydrophobicContact CG-CE 4.39Å; F178-M189 HydrophobicContact CG-SD 4.25Å; F178-M189 HydrophobicContact CZ-CE 3.55Å; F178-M189 HydrophobicContact CZ-SD 3.96Å; F178-W193 HydrophobicContact CE1-CH2 4.26Å; F178-W193 AromaticContact CE1-CZ2 3.67Å; F178-W193 HydrophobicContact CE1-CZ2 3.67Å; F178-W193 AromaticContact CZ-CH2 3.64Å; F178-W193 HydrophobicContact CZ-CH2 3.64Å; F178-W193 AromaticContact CZ-CZ2 3.5Å; F178-W193 HydrophobicContact CZ-CZ2 3.5Å
179	M	70.7	Confident	67.2	Low	25 Å²	25	44.4 Å²	44.4	12%	0.123	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.5	-177.4	-170.5	149.1	-79.7	0	0	113.8	M110 E114 L175	M110-M179 HydrophobicContact SD-CG 4.47Å; E114-M179 HydrophobicContact CB-CE 4.38Å; E114-M179 HydrophobicContact CG-CE 4.17Å; L175-M179 WeakPolarHBondContact O-CA 3.31Å; L175-M179 WeakPolarHBondContact O-CB 3.47Å; L175-M179 PolarHBondContact O-N 3.45Å
180	F	62.6	Low	65.8	Low	64 Å²	64	44.6 Å²	44.6	28%	0.281	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-4.6	176.3	-60.2	-77.5	0	0	0	114.1	L51 M76 F178	L51-F180 HydrophobicContact CD1-CE1 3.34Å; L51-F180 HydrophobicContact CD1-CE2 4.4Å; L51-F180 HydrophobicContact CD1-CZ 3.22Å; L51-F180 HydrophobicContact CD2-CE1 4.35Å; L51-F180 HydrophobicContact CG-CE1 4.06Å; L51-F180 HydrophobicContact CG-CZ 4.38Å; M76-F180 HydrophobicContact CE-CB 4.46Å; M76-F180 WeakPolarHBondContact CE-O 3.24Å; M76-F180 HydrophobicContact SD-CB 4.48Å; F178-F180 PolarHBondContact O-N 2.87Å
181	Y	62.2	Low	64	Low	50 Å²	50	44.8 Å²	44.8	20%	0.196	23%	0.225	C	C	.	.	S	Bend	trans	-94.3	121.3	178	-79.4	-91.5	0	0	0	109.2	M76 V79 H113 F177 F178 C183	M76-Y181 HydrophobicContact SD-CD1 4.38Å; M76-Y181 HydrophobicContact SD-CD2 4.22Å; M76-Y181 HydrophobicContact SD-CE1 4.02Å; M76-Y181 HydrophobicContact SD-CE2 3.86Å; M76-Y181 HydrophobicContact SD-CG 4.47Å; V79-Y181 HydrophobicContact CG2-CE1 4.21Å; H113-Y181 PolarHBondContact CE1-O 2.93Å; H113-Y181 PolarHBondContact NE2-O 3.36Å; F177-Y181 HydrophobicContact CE1-CE2 4.36Å; F177-Y181 WeakPolarHBondContact O-CD2 3.43Å; F178-Y181 HydrophobicContact CD1-CD2 4.18Å; F178-Y181 HydrophobicContact CD1-CG 4.17Å; F178-Y181 PolarHBondContact O-N 3.36Å; Y181-C183 PolarHBondContact O-N 3.38Å; Y181-C183 VanDerWaalsContact O-N 3.09Å
182	P	56.8	Low	62.3	Low	19 Å²	19	43 Å²	43	12%	0.123	21%	0.214	C	C	.	.			trans	-55.2	119.6	175.9	-24.5	34.8	0	0	0	110.7	Y85 V89 S184	Y85-P182 HydrophobicContact CD1-CB 4.05Å; Y85-P182 HydrophobicContact CD1-CG 3.6Å; Y85-P182 HydrophobicContact CE1-CG 4.35Å; Y85-P182 HydrophobicContact CG-CG 3.72Å; V89-P182 HydrophobicContact CG2-CG 4.47Å; P182-S184 PolarHBondContact O-N 2.89Å; P182-S184 VanDerWaalsContact O-N 3.07Å
183	C	52.7	Low	60.9	Low	19 Å²	19	39.7 Å²	39.7	13%	0.128	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.8	-179.3	-75.9	0	0	0	0	113.6	H113 R116 L117 Y181 Y185	H113-C183 PolarHBondContact CE1-N 2.96Å; H113-C183 PolarHBondContact CE1-SG 2.95Å; H113-C183 PolarHBondContact NE2-SG 2.9Å; R116-C183 HydrophobicContact CB-CB 4.33Å; L117-C183 WeakPolarHBondContact CD2-SG 3.33Å; L117-C183 WeakPolarHBondContact CG-SG 3Å; Y181-C183 PolarHBondContact O-N 3.38Å; Y181-C183 VanDerWaalsContact O-N 3.09Å; C183-Y185 PolarHBondContact O-N 3.28Å
184	S	52.8	Low	59.1	Low	33 Å²	33	41.1 Å²	41.1	23%	0.231	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.1	-158.5	-47.2	0	0	0	0	113.2	P182	P182-S184 PolarHBondContact O-N 2.89Å; P182-S184 VanDerWaalsContact O-N 3.07Å
185	Y	53.4	Low	57.2	Low	106 Å²	106	45.3 Å²	45.3	42%	0.416	22%	0.217	S	C	.	.			trans	-147.2	93	175.8	-54.8	-77.9	0	0	0	112.6	C183 R187 E188 M189	C183-Y185 PolarHBondContact O-N 3.28Å; Y185-R187 PolarHBondContact O-N 2.84Å; Y185-E188 VanDerWaalsContact CB-CG 3.49Å; Y185-E188 VanDerWaalsContact CD2-CD 3.5Å; Y185-E188 HydrophobicContact CD2-CG 4.43Å; Y185-E188 VanDerWaalsContact CD2-OE2 3.31Å; Y185-E188 WeakPolarHBondContact CD2-OE2 3.3Å; Y185-E188 HydrophobicContact CG-CG 4.12Å; Y185-E188 WeakPolarHBondContact O-CB 3.47Å; Y185-E188 PolarHBondContact O-N 2.99Å; Y185-M189 PolarHBondContact O-N 3.23Å
186	P	54.9	Low	54.9	Low	39 Å²	39	49.5 Å²	49.5	25%	0.253	24%	0.24	S	C	.	.	H	α-helix	trans	-56.5	-25.1	174.9	20.1	-31.3	0	0	0	112.8	Y140 L144 A190	Y140-P186 HydrophobicContact CE1-CB 4.44Å; L144-P186 HydrophobicContact CD1-CB 3.94Å; L144-P186 HydrophobicContact CD1-CG 4.47Å; P186-A190 WeakPolarHBondContact O-CB 3.32Å; P186-A190 PolarHBondContact O-N 3.31Å; P186-A190 VanDerWaalsContact O-N 3.09Å
187	R	55.2	Low	52.8	Low	89 Å²	89	49 Å²	49	34%	0.336	23%	0.231	S	C	.	.	H	α-helix	trans	-67.5	-37.2	172	-169.6	-178.4	-70	-112.6	-1.5	113.4	L144 Y185 A190 N191 E314	L144-R187 PolarHBondContact O-NH2 3.23Å; Y185-R187 PolarHBondContact O-N 2.84Å; R187-A190 PolarHBondContact O-N 2.92Å; R187-N191 VanDerWaalsContact O-CB 3.32Å; R187-N191 WeakPolarHBondContact O-CB 3.49Å; R187-N191 PolarHBondContact O-N 3.27Å; R187-N191 PolarHBondContact O-ND2 3.27Å; R187-E314 VanDerWaalsContact CD-OE1 3.26Å; R187-E314 WeakPolarHBondContact CD-OE1 3.43Å; R187-E314 IonicContact CZ-OE1 3.13Å; R187-E314 IonicContact CZ-OE2 3.85Å; R187-E314 IonicContact NE-OE1 2.7Å; R187-E314 IonicContact NH1-OE1 3.91Å; R187-E314 PolarHBondContact NH1-OE1 3.44Å; R187-E314 IonicContact NH1-OE2 3.61Å; R187-E314 PolarHBondContact NH1-OE2 3.36Å
188	E	52	Low	50.8	Low	76 Å²	76	51.6 Å²	51.6	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-70.5	-38	177.2	-69.6	-179.3	171.8	0	0	111.2	Y185 N191 H192	Y185-E188 VanDerWaalsContact CB-CG 3.49Å; Y185-E188 VanDerWaalsContact CD2-CD 3.5Å; Y185-E188 HydrophobicContact CD2-CG 4.43Å; Y185-E188 VanDerWaalsContact CD2-OE2 3.31Å; Y185-E188 WeakPolarHBondContact CD2-OE2 3.3Å; Y185-E188 HydrophobicContact CG-CG 4.12Å; Y185-E188 WeakPolarHBondContact O-CB 3.47Å; Y185-E188 PolarHBondContact O-N 2.99Å; E188-N191 PolarHBondContact O-N 3.13Å; E188-H192 WeakPolarHBondContact O-CB 3.37Å; E188-H192 PolarHBondContact O-N 2.9Å
189	M	51.9	Low	48.7	Very low	31 Å²	31	60.3 Å²	60.3	15%	0.153	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-47.4	172.9	-158.6	156.8	79.5	0	0	111.2	F178 Y185 H192 W193	F178-M189 HydrophobicContact CD1-CE 3.75Å; F178-M189 HydrophobicContact CD1-CG 4.4Å; F178-M189 HydrophobicContact CD1-SD 3.22Å; F178-M189 WeakPolarHBondContact CD1-SD 3.39Å; F178-M189 HydrophobicContact CE1-CE 3.31Å; F178-M189 HydrophobicContact CE1-CG 3.78Å; F178-M189 HydrophobicContact CE1-SD 3.06Å; F178-M189 WeakPolarHBondContact CE1-SD 3.36Å; F178-M189 HydrophobicContact CE2-CE 4.24Å; F178-M189 HydrophobicContact CG-CE 4.39Å; F178-M189 HydrophobicContact CG-SD 4.25Å; F178-M189 HydrophobicContact CZ-CE 3.55Å; F178-M189 HydrophobicContact CZ-SD 3.96Å; Y185-M189 PolarHBondContact O-N 3.23Å; M189-H192 PolarHBondContact O-N 3.09Å; M189-W193 HydrophobicContact CG-CZ2 4.48Å; M189-W193 VanDerWaalsContact O-CD1 3.23Å; M189-W193 VanDerWaalsContact O-CG 3.24Å; M189-W193 PolarHBondContact O-N 3.14Å
190	A	52.2	Low	46.8	Very low	4 Å²	4	63.6 Å²	63.6	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-40.6	175.3	0	0	0	0	0	113.2	L141 V146 P186 R187 W193 R194	L141-A190 HydrophobicContact CD2-CB 3.51Å; V146-A190 HydrophobicContact CB-CB 4.18Å; V146-A190 HydrophobicContact CG1-CB 4.12Å; V146-A190 HydrophobicContact CG2-CB 3.79Å; P186-A190 WeakPolarHBondContact O-CB 3.32Å; P186-A190 PolarHBondContact O-N 3.31Å; P186-A190 VanDerWaalsContact O-N 3.09Å; R187-A190 PolarHBondContact O-N 2.92Å; A190-W193 PolarHBondContact O-N 3.38Å; A190-R194 PolarHBondContact O-N 3.47Å; A190-R194 VanDerWaalsContact O-N 3.16Å
191	N	50	Low	45.1	Very low	31 Å²	31	62.7 Å²	62.7	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-68.2	-37.3	176.8	-85.4	-37.9	0	0	0	112.3	R187 E188 W193 R194 H195	R187-N191 VanDerWaalsContact O-CB 3.32Å; R187-N191 WeakPolarHBondContact O-CB 3.49Å; R187-N191 PolarHBondContact O-N 3.27Å; R187-N191 PolarHBondContact O-ND2 3.27Å; E188-N191 PolarHBondContact O-N 3.13Å; N191-W193 VanDerWaalsContact C-N 3.32Å; N191-W193 PolarHBondContact O-N 2.66Å; N191-R194 WeakPolarHBondContact O-CB 3.1Å; N191-R194 PolarHBondContact O-N 2.9Å; N191-R194 VanDerWaalsContact O-N 3.15Å; N191-H195 PolarHBondContact O-N 2.7Å; N191-H195 VanDerWaalsContact O-N 3.08Å; N191-H195 PolarHBondContact O-ND1 2.6Å
192	H	48.1	Very low	43.7	Very low	20 Å²	20	61.5 Å²	61.5	9%	0.093	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-43.2	175.6	178.9	48.8	0	0	0	111	G78 P80 E188 M189 R194 H195	G78-H192 PolarHBondContact O-CE1 3.39Å; G78-H192 VanDerWaalsContact O-CE1 3.23Å; P80-H192 WeakPolarHBondContact CD-CE1 3.45Å; P80-H192 WeakPolarHBondContact CD-ND1 3.23Å; P80-H192 WeakPolarHBondContact CG-ND1 3.21Å; E188-H192 WeakPolarHBondContact O-CB 3.37Å; E188-H192 PolarHBondContact O-N 2.9Å; M189-H192 PolarHBondContact O-N 3.09Å; H192-R194 PolarHBondContact O-N 2.83Å; H192-H195 PolarHBondContact O-N 3.25Å
193	W	50.6	Low	43	Very low	41 Å²	41	64.6 Å²	64.6	16%	0.155	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-29.5	176	-63.3	-1	0	0	0	112.7	M156 M160 F177 F178 M189 A190 N191	M156-W193 HydrophobicContact CB-CE3 4.35Å; M156-W193 HydrophobicContact CB-CH2 4.42Å; M156-W193 HydrophobicContact CB-CZ3 3.87Å; M156-W193 HydrophobicContact CE-CB 3.92Å; M156-W193 HydrophobicContact CE-CD2 4.35Å; M156-W193 HydrophobicContact CE-CE3 3.6Å; M156-W193 HydrophobicContact CE-CZ3 4.4Å; M156-W193 HydrophobicContact CG-CD2 4.42Å; M156-W193 HydrophobicContact CG-CE3 3.61Å; M156-W193 HydrophobicContact CG-CH2 4.48Å; M156-W193 HydrophobicContact CG-CZ3 3.64Å; M156-W193 HydrophobicContact SD-CE3 3.43Å; M156-W193 HydrophobicContact SD-CZ3 3.61Å; M160-W193 HydrophobicContact CE-CH2 3.97Å; M160-W193 HydrophobicContact SD-CH2 3.91Å; F177-W193 HydrophobicContact CE1-CZ2 4.04Å; F178-W193 HydrophobicContact CE1-CH2 4.26Å; F178-W193 AromaticContact CE1-CZ2 3.67Å; F178-W193 HydrophobicContact CE1-CZ2 3.67Å; F178-W193 AromaticContact CZ-CH2 3.64Å; F178-W193 HydrophobicContact CZ-CH2 3.64Å; F178-W193 AromaticContact CZ-CZ2 3.5Å; F178-W193 HydrophobicContact CZ-CZ2 3.5Å; M189-W193 HydrophobicContact CG-CZ2 4.48Å; M189-W193 VanDerWaalsContact O-CD1 3.23Å; M189-W193 VanDerWaalsContact O-CG 3.24Å; M189-W193 PolarHBondContact O-N 3.14Å; A190-W193 PolarHBondContact O-N 3.38Å; N191-W193 VanDerWaalsContact C-N 3.32Å; N191-W193 PolarHBondContact O-N 2.66Å
194	R	42.7	Very low	42.7	Very low	60 Å²	60	66.5 Å²	66.5	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-73.3	-36	175.4	-161.3	-177.7	78.3	93.3	9.7	113.6	A190 N191 H192 N196 L197 R320	A190-R194 PolarHBondContact O-N 3.47Å; A190-R194 VanDerWaalsContact O-N 3.16Å; N191-R194 WeakPolarHBondContact O-CB 3.1Å; N191-R194 PolarHBondContact O-N 2.9Å; N191-R194 VanDerWaalsContact O-N 3.15Å; H192-R194 PolarHBondContact O-N 2.83Å; R194-N196 PolarHBondContact O-N 2.85Å; R194-L197 PolarHBondContact O-N 3.33Å; R194-R320 VanDerWaalsContact CZ-CZ 3.49Å; R194-R320 VanDerWaalsContact CZ-NH1 3.29Å; R194-R320 VanDerWaalsContact NH2-CZ 3.27Å
195	H	38.9	Very low	42.3	Very low	96 Å²	96	67.3 Å²	67.3	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-75.5	-21.5	-175	-77.4	83.4	0	0	0	113.7	N191 H192 L197	N191-H195 PolarHBondContact O-N 2.7Å; N191-H195 VanDerWaalsContact O-N 3.08Å; N191-H195 PolarHBondContact O-ND1 2.6Å; H192-H195 PolarHBondContact O-N 3.25Å; H195-L197 PolarHBondContact O-N 2.88Å
196	N	32	Very low	42	Very low	106 Å²	106	64.7 Å²	64.7	57%	0.567	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	8.6	175.5	-74	-21.9	0	0	0	114.2	R194	R194-N196 PolarHBondContact O-N 2.85Å
197	L	30.2	Very low	41.6	Very low	61 Å²	61	63.6 Å²	63.6	32%	0.319	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	6.6	-173.1	-76.7	160.3	0	0	0	115.2	Q152 R194 H195 K400	Q152-L197 HydrophobicContact CG-CD1 4.04Å; R194-L197 PolarHBondContact O-N 3.33Å; H195-L197 PolarHBondContact O-N 2.88Å; L197-K400 VanDerWaalsContact CD2-NZ 3.31Å
198	V	26.5	Very low	41.1	Very low	111 Å²	111	61.7 Å²	61.7	67%	0.673	32%	0.32	S	S	*	.			trans	-132.3	94.5	-178.3	-173.3	0	0	0	0	111.2
199	F	26.3	Very low	40.8	Very low	185 Å²	185	62 Å²	62	81%	0.811	32%	0.321	S	S	*	.			trans	-125.1	94.7	158	-88.9	-82.3	0	0	0	107.7	I201	F199-I201 PolarHBondContact O-N 3.49Å
200	D	30.4	Very low	40.5	Very low	95 Å²	95	63.5 Å²	63.5	51%	0.508	33%	0.328	S	S	.	.			trans	-83.4	101.4	171.6	-169.2	-6.2	0	0	0	108.7	G202	D200-G202 VanDerWaalsContact C-N 3.28Å; D200-G202 PolarHBondContact O-N 2.99Å; D200-G202 VanDerWaalsContact O-N 3.11Å
201	I	28.2	Very low	40.5	Very low	45 Å²	45	63.7 Å²	63.7	23%	0.231	33%	0.328	C	S	.	.			trans	-83.3	76.1	176.1	-57.8	-178.4	0	0	0	107.5	F199 Y387 S426	F199-I201 PolarHBondContact O-N 3.49Å; I201-Y387 PolarHBondContact O-OH 3.05Å; I201-S426 WeakPolarHBondContact CB-OG 3.17Å; I201-S426 PolarHBondContact O-OG 2.77Å
202	G	32	Very low	40.5	Very low	24 Å²	24	64.2 Å²	64.2	25%	0.247	33%	0.334	C	S	.	.			trans	-94.2	144	165	0	0	0	0	0	111.3	D200 D204 S205	D200-G202 VanDerWaalsContact C-N 3.28Å; D200-G202 PolarHBondContact O-N 2.99Å; D200-G202 VanDerWaalsContact O-N 3.11Å; G202-D204 PolarHBondContact O-N 2.9Å; G202-S205 PolarHBondContact O-N 2.93Å
203	E	41.4	Very low	40.6	Very low	85 Å²	85	70.6 Å²	70.6	40%	0.397	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-2.3	-176.6	-88.7	-158.9	112.1	0	0	117.1	K246 K483	E203-K246 IonicContact OE1-NZ 3.22Å; E203-K246 IonicContact OE2-NZ 3.44Å; E203-K483 IonicContact OE1-NZ 2.73Å; E203-K483 PolarHBondContact OE1-NZ 3.35Å
204	D	47.7	Very low	40.4	Very low	59 Å²	59	72.5 Å²	72.5	32%	0.316	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-3	-172.5	-76.2	-54.8	0	0	0	116.9	G202 R236 K287	G202-D204 PolarHBondContact O-N 2.9Å; D204-R236 IonicContact OD1-CZ 3.47Å; D204-R236 IonicContact OD1-NH2 3.67Å; D204-R236 PolarHBondContact OD1-NH2 3.32Å; D204-K287 IonicContact OD1-NZ 2.75Å; D204-K287 PolarHBondContact OD1-NZ 2.85Å
205	S	43.9	Very low	41	Very low	49 Å²	49	70.5 Å²	70.5	34%	0.343	37%	0.365	S	S	.	.			trans	-112	93	-179.6	-59.6	0	0	0	0	112.7	G202 K295	G202-S205 PolarHBondContact O-N 2.93Å; S205-K295 PolarHBondContact OG-NZ 3.39Å
206	I	47.8	Very low	41.9	Very low	51 Å²	51	69.5 Å²	69.5	26%	0.262	36%	0.358	S	S	.	.			trans	-95.9	-13	170.1	-62.7	165.5	0	0	0	110.8	G228 A231	I206-G228 WeakPolarHBondContact CG2-O 3.26Å; I206-A231 HydrophobicContact CG2-CB 3.71Å
207	V	46.5	Very low	42.9	Very low	17 Å²	17	70.4 Å²	70.4	10%	0.103	37%	0.367	C	S	.	.	S	Bend	trans	-97.6	130	177.2	-175.9	0	0	0	0	108.2	E209 F211 S292	V207-E209 PolarHBondContact O-N 3.38Å; V207-F211 HydrophobicContact CG1-CZ 4.04Å; V207-S292 WeakPolarHBondContact CG2-OG 3.48Å
208	P	44.4	Very low	44.2	Very low	49 Å²	49	72.3 Å²	72.3	32%	0.318	38%	0.377	S	S	.	.			trans	-50.8	134.3	172.9	-24.7	32.9	0	0	0	111.2	E210 F211	P208-E210 VanDerWaalsContact C-N 3.27Å; P208-F211 HydrophobicContact CB-CE1 4.24Å; P208-F211 HydrophobicContact CG-CE1 4.28Å
209	E	45.1	Very low	45.9	Very low	81 Å²	81	68.1 Å²	68.1	38%	0.379	36%	0.356	S	S	.	.	S	Bend	trans	-75.5	-20.3	-179.8	-61.5	-169.6	-176.9	0	0	112.8	V207 K295	V207-E209 PolarHBondContact O-N 3.38Å; E209-K295 VanDerWaalsContact CD-CE 3.42Å; E209-K295 WeakPolarHBondContact OE1-CE 3.39Å; E209-K295 IonicContact OE1-NZ 3.23Å; E209-K295 PolarHBondContact OE1-NZ 3.38Å; E209-K295 IonicContact OE2-NZ 2.68Å
210	E	46.1	Very low	48	Very low	63 Å²	63	59.7 Å²	59.7	29%	0.294	32%	0.321	S	S	.	.			trans	-131.8	122.2	179.7	-170	159.1	-144.4	0	0	107.6	P208 Y299 K303	P208-E210 VanDerWaalsContact C-N 3.27Å; E210-Y299 HydrophobicContact CB-CE1 4.48Å; E210-K303 IonicContact OE1-NZ 2.82Å; E210-K303 PolarHBondContact OE1-NZ 3.49Å
211	F	51.5	Low	49.8	Very low	9 Å²	9	59.8 Å²	59.8	4%	0.039	31%	0.314	C	S	.	.			trans	-90.2	135.3	161.8	-61	-59.5	0	0	0	107.2	V207 P208 E215 Y216 W221 H224 L225 F296	V207-F211 HydrophobicContact CG1-CZ 4.04Å; P208-F211 HydrophobicContact CB-CE1 4.24Å; P208-F211 HydrophobicContact CG-CE1 4.28Å; F211-E215 WeakPolarHBondContact CA-OE2 3.43Å; F211-E215 HydrophobicContact CB-CB 3.98Å; F211-Y216 HydrophobicContact CB-CD2 4.07Å; F211-Y216 HydrophobicContact CB-CE2 3.86Å; F211-W221 HydrophobicContact CD2-CB 3.89Å; F211-W221 HydrophobicContact CE2-CB 4.29Å; F211-W221 HydrophobicContact CG-CB 4.1Å; F211-H224 HydrophobicContact CD1-CB 4.24Å; F211-H224 HydrophobicContact CE1-CB 3.5Å; F211-H224 VanDerWaalsContact CE1-CB 3.5Å; F211-H224 HydrophobicContact CZ-CB 4.26Å; F211-L225 HydrophobicContact CZ-CB 4.38Å; F211-F296 HydrophobicContact CD2-CD2 4.09Å; F211-F296 AromaticContact CD2-CE2 3.26Å; F211-F296 HydrophobicContact CD2-CE2 3.26Å; F211-F296 AromaticContact CD2-CZ 3.63Å; F211-F296 HydrophobicContact CD2-CZ 3.63Å; F211-F296 HydrophobicContact CE2-CD2 4.03Å; F211-F296 AromaticContact CE2-CE2 3.61Å; F211-F296 HydrophobicContact CE2-CE2 3.61Å; F211-F296 AromaticContact CE2-CZ 3.98Å; F211-F296 HydrophobicContact CE2-CZ 3.98Å; F211-F296 HydrophobicContact CG-CE2 4.39Å
212	S	50.2	Low	52.1	Low	42 Å²	42	62.9 Å²	62.9	29%	0.294	32%	0.323	S	S	.	.			trans	-56.3	149.7	170.2	58.3	0	0	0	0	110.2	Y214 E215 Y216	S212-Y214 PolarHBondContact O-N 3Å; S212-E215 PolarHBondContact N-OE2 2.94Å; S212-E215 PolarHBondContact O-N 3.43Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 2.69Å; S212-E215 PolarHBondContact OG-OE2 3.18Å; S212-Y216 WeakPolarHBondContact O-CD2 2.97Å; S212-Y216 PolarHBondContact O-N 3.05Å
213	E	50.7	Low	54.3	Low	154 Å²	154	63.3 Å²	63.3	72%	0.72	32%	0.318	S	S	*	.	H	α-helix	trans	-53.2	-30.6	173.2	-69.3	-167.7	165.9	0	0	111.2	Y216 V217	E213-Y216 WeakPolarHBondContact O-CB 3.2Å; E213-Y216 PolarHBondContact O-N 3.4Å; E213-V217 VanDerWaalsContact O-CG2 3.28Å; E213-V217 WeakPolarHBondContact O-CG2 3.41Å; E213-V217 PolarHBondContact O-N 3.32Å
214	Y	45.8	Very low	55.9	Low	81 Å²	81	59.5 Å²	59.5	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-43.9	172.8	-173.9	-101	0	0	0	114.3	S212 Y216 V217 L218	S212-Y214 PolarHBondContact O-N 3Å; Y214-Y216 PolarHBondContact O-N 3.25Å; Y214-V217 PolarHBondContact O-N 3.42Å; Y214-V217 VanDerWaalsContact O-N 3.16Å; Y214-L218 HydrophobicContact CD1-CD1 4.05Å; Y214-L218 HydrophobicContact CD2-CD1 3.86Å; Y214-L218 HydrophobicContact CE1-CD1 3.55Å; Y214-L218 HydrophobicContact CE1-CD2 3.97Å; Y214-L218 HydrophobicContact CE1-CG 4.3Å; Y214-L218 HydrophobicContact CE2-CD1 3.33Å; Y214-L218 HydrophobicContact CG-CD1 4.2Å; Y214-L218 PolarHBondContact O-N 2.97Å; Y214-L218 WeakPolarHBondContact OH-CD1 3.27Å
215	E	54.8	Low	57.3	Low	18 Å²	18	58.1 Å²	58.1	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-28.2	176.7	-79.7	165.2	132.5	0	0	112.5	F211 S212 G219 A220 W221 H224 M506	F211-E215 WeakPolarHBondContact CA-OE2 3.43Å; F211-E215 HydrophobicContact CB-CB 3.98Å; S212-E215 PolarHBondContact N-OE2 2.94Å; S212-E215 PolarHBondContact O-N 3.43Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 2.69Å; S212-E215 PolarHBondContact OG-OE2 3.18Å; E215-G219 PolarHBondContact O-N 3.36Å; E215-A220 PolarHBondContact O-N 3.41Å; E215-W221 PolarHBondContact O-N 2.92Å; E215-H224 IonicContact OE1-CD2 3.71Å; E215-H224 PolarHBondContact OE1-CD2 2.89Å; E215-H224 VanDerWaalsContact OE1-CD2 3.26Å; E215-H224 IonicContact OE1-CE1 3.74Å; E215-H224 IonicContact OE1-CG 3.51Å; E215-H224 IonicContact OE1-ND1 2.74Å; E215-H224 IonicContact OE1-NE2 3.67Å; E215-H224 PolarHBondContact OE1-NE2 3.3Å; E215-M506 HydrophobicContact CG-CE 4.1Å
216	Y	58.6	Low	59.2	Low	75 Å²	75	59.8 Å²	59.8	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-47.2	169.8	-77.2	-83.1	0	0	0	111.8	F211 S212 E213 Y214 G219 W221 F296 E300	F211-Y216 HydrophobicContact CB-CD2 4.07Å; F211-Y216 HydrophobicContact CB-CE2 3.86Å; S212-Y216 WeakPolarHBondContact O-CD2 2.97Å; S212-Y216 PolarHBondContact O-N 3.05Å; E213-Y216 WeakPolarHBondContact O-CB 3.2Å; E213-Y216 PolarHBondContact O-N 3.4Å; Y214-Y216 PolarHBondContact O-N 3.25Å; Y216-G219 PolarHBondContact O-N 2.85Å; Y216-G219 VanDerWaalsContact O-N 3.08Å; Y216-W221 HydrophobicContact CD1-CG 4.43Å; Y216-F296 HydrophobicContact CE1-CE1 4.18Å; Y216-F296 HydrophobicContact CE1-CE2 4.41Å; Y216-F296 AromaticContact CE1-CZ 3.49Å; Y216-F296 HydrophobicContact CE1-CZ 3.49Å; Y216-F296 VanDerWaalsContact CE1-CZ 3.49Å; Y216-F296 HydrophobicContact CE2-CZ 4.32Å; Y216-F296 AromaticContact CZ-CE2 3.77Å; Y216-F296 AromaticContact CZ-CZ 3.27Å; Y216-F296 WeakPolarHBondContact OH-CE2 3.25Å; Y216-F296 WeakPolarHBondContact OH-CZ 3.5Å; Y216-E300 WeakPolarHBondContact OH-CG 3.36Å; Y216-E300 PolarHBondContact OH-OE1 3.04Å
217	V	52.7	Low	60.8	Low	124 Å²	124	57.4 Å²	57.4	75%	0.752	29%	0.285	S	S	*	.	H	α-helix	trans	-66.6	-39.2	-177.9	173.6	0	0	0	0	111.9	E213 Y214 G219	E213-V217 VanDerWaalsContact O-CG2 3.28Å; E213-V217 WeakPolarHBondContact O-CG2 3.41Å; E213-V217 PolarHBondContact O-N 3.32Å; Y214-V217 PolarHBondContact O-N 3.42Å; Y214-V217 VanDerWaalsContact O-N 3.16Å; V217-G219 PolarHBondContact O-N 2.81Å
218	L	57.6	Low	62.3	Low	102 Å²	102	56.6 Å²	56.6	53%	0.534	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-11.1	173.2	-104.7	81.3	0	0	0	113.6	Y214 A220	Y214-L218 HydrophobicContact CD1-CD1 4.05Å; Y214-L218 HydrophobicContact CD2-CD1 3.86Å; Y214-L218 HydrophobicContact CE1-CD1 3.55Å; Y214-L218 HydrophobicContact CE1-CD2 3.97Å; Y214-L218 HydrophobicContact CE1-CG 4.3Å; Y214-L218 HydrophobicContact CE2-CD1 3.33Å; Y214-L218 HydrophobicContact CG-CD1 4.2Å; Y214-L218 PolarHBondContact O-N 2.97Å; Y214-L218 WeakPolarHBondContact OH-CD1 3.27Å; L218-A220 HydrophobicContact CB-CB 4.29Å; L218-A220 PolarHBondContact O-N 3.37Å
219	G	63.4	Low	64.1	Low	22 Å²	22	54.9 Å²	54.9	23%	0.227	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	22.7	-169.3	0	0	0	0	0	112.9	E215 Y216 V217 W222	E215-G219 PolarHBondContact O-N 3.36Å; Y216-G219 PolarHBondContact O-N 2.85Å; Y216-G219 VanDerWaalsContact O-N 3.08Å; V217-G219 PolarHBondContact O-N 2.81Å; G219-W222 PolarHBondContact O-NE1 2.9Å
220	A	68.5	Low	66.1	Low	9 Å²	9	52.5 Å²	52.5	7%	0.074	27%	0.265	C	S	.	.			trans	-82	-16.1	178.3	0	0	0	0	0	112.8	E215 L218 W222 Q223 H224	E215-A220 PolarHBondContact O-N 3.41Å; L218-A220 HydrophobicContact CB-CB 4.29Å; L218-A220 PolarHBondContact O-N 3.37Å; A220-W222 PolarHBondContact O-N 2.72Å; A220-W222 VanDerWaalsContact O-N 3.14Å; A220-Q223 WeakPolarHBondContact O-CA 3.21Å; A220-Q223 VanDerWaalsContact O-CB 3.26Å; A220-Q223 WeakPolarHBondContact O-CB 3.47Å; A220-Q223 PolarHBondContact O-N 2.85Å; A220-H224 PolarHBondContact O-CD2 3.42Å; A220-H224 VanDerWaalsContact O-CD2 3.26Å; A220-H224 PolarHBondContact O-N 3.21Å
221	W	69.2	Low	68	Low	96 Å²	96	49.5 Å²	49.5	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-50.8	-40.7	-179.2	69	-90.2	0	0	0	113.4	F211 E215 Y216 Q223 H224 L225	F211-W221 HydrophobicContact CD2-CB 3.89Å; F211-W221 HydrophobicContact CE2-CB 4.29Å; F211-W221 HydrophobicContact CG-CB 4.1Å; E215-W221 PolarHBondContact O-N 2.92Å; Y216-W221 HydrophobicContact CD1-CG 4.43Å; W221-Q223 VanDerWaalsContact C-N 3.32Å; W221-Q223 PolarHBondContact O-N 3.44Å; W221-H224 PolarHBondContact O-N 3.34Å; W221-L225 WeakPolarHBondContact O-CB 3.42Å; W221-L225 PolarHBondContact O-N 2.99Å
222	W	75.7	Confident	69.4	Low	110 Å²	110	49.1 Å²	49.1	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-71.5	-29.8	179	69.5	-93.9	0	0	0	111.5	G219 A220 L225 L226 L502	G219-W222 PolarHBondContact O-NE1 2.9Å; A220-W222 PolarHBondContact O-N 2.72Å; A220-W222 VanDerWaalsContact O-N 3.14Å; W222-L225 PolarHBondContact O-N 3.47Å; W222-L226 HydrophobicContact CE3-CD1 3.44Å; W222-L226 VanDerWaalsContact CE3-CD1 3.44Å; W222-L226 HydrophobicContact CE3-CG 4.2Å; W222-L226 HydrophobicContact CZ3-CD1 3.53Å; W222-L226 WeakPolarHBondContact O-CB 3.48Å; W222-L226 VanDerWaalsContact O-CG 3.27Å; W222-L226 WeakPolarHBondContact O-CG 3.4Å; W222-L226 PolarHBondContact O-N 3.14Å; W222-L502 HydrophobicContact CZ3-CD2 4.3Å
223	Q	79.9	Confident	71.2	Confident	34 Å²	34	48.6 Å²	48.6	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-43.4	175.9	-58.4	171.3	-37.2	0	0	110.5	A220 W221 L226 A227 L502 A504	A220-Q223 WeakPolarHBondContact O-CA 3.21Å; A220-Q223 VanDerWaalsContact O-CB 3.26Å; A220-Q223 WeakPolarHBondContact O-CB 3.47Å; A220-Q223 PolarHBondContact O-N 2.85Å; W221-Q223 VanDerWaalsContact C-N 3.32Å; W221-Q223 PolarHBondContact O-N 3.44Å; Q223-L226 PolarHBondContact O-N 3.37Å; Q223-A227 VanDerWaalsContact O-CB 3.25Å; Q223-A227 WeakPolarHBondContact O-CB 3.42Å; Q223-A227 PolarHBondContact O-N 3.25Å; Q223-L502 HydrophobicContact CB-CB 4.16Å; Q223-L502 HydrophobicContact CB-CD1 4.19Å; Q223-L502 HydrophobicContact CG-CB 4.33Å; Q223-L502 PolarHBondContact NE2-O 2.81Å; Q223-L502 WeakPolarHBondContact O-CD1 3.12Å; Q223-A504 HydrophobicContact CB-CB 3.9Å
224	H	74.8	Confident	73.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-41.1	174	-71	-75.6	0	0	0	112.1	F211 E215 A220 W221 A227 G228 Y495	F211-H224 HydrophobicContact CD1-CB 4.24Å; F211-H224 HydrophobicContact CE1-CB 3.5Å; F211-H224 VanDerWaalsContact CE1-CB 3.5Å; F211-H224 HydrophobicContact CZ-CB 4.26Å; E215-H224 IonicContact OE1-CD2 3.71Å; E215-H224 PolarHBondContact OE1-CD2 2.89Å; E215-H224 VanDerWaalsContact OE1-CD2 3.26Å; E215-H224 IonicContact OE1-CE1 3.74Å; E215-H224 IonicContact OE1-CG 3.51Å; E215-H224 IonicContact OE1-ND1 2.74Å; E215-H224 IonicContact OE1-NE2 3.67Å; E215-H224 PolarHBondContact OE1-NE2 3.3Å; A220-H224 PolarHBondContact O-CD2 3.42Å; A220-H224 VanDerWaalsContact O-CD2 3.26Å; A220-H224 PolarHBondContact O-N 3.21Å; W221-H224 PolarHBondContact O-N 3.34Å; H224-A227 PolarHBondContact O-N 2.93Å; H224-G228 PolarHBondContact O-N 3.05Å; H224-Y495 PolarHBondContact ND1-OH 3.33Å
225	L	77	Confident	75	Confident	30 Å²	30	40.3 Å²	40.3	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-43.2	175.6	-171.3	149.2	0	0	0	111.6	F211 W221 W222 G228 A229	F211-L225 HydrophobicContact CZ-CB 4.38Å; W221-L225 WeakPolarHBondContact O-CB 3.42Å; W221-L225 PolarHBondContact O-N 2.99Å; W222-L225 PolarHBondContact O-N 3.47Å; L225-G228 PolarHBondContact O-N 2.91Å; L225-A229 WeakPolarHBondContact O-CB 3.34Å; L225-A229 PolarHBondContact O-N 3.14Å
226	L	82.2	Confident	76.6	Confident	85 Å²	85	40.2 Å²	40.2	45%	0.445	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-42.5	175.1	-76.6	-175.8	0	0	0	112.2	W222 Q223 G228 A229 A230 L502	W222-L226 HydrophobicContact CE3-CD1 3.44Å; W222-L226 VanDerWaalsContact CE3-CD1 3.44Å; W222-L226 HydrophobicContact CE3-CG 4.2Å; W222-L226 HydrophobicContact CZ3-CD1 3.53Å; W222-L226 WeakPolarHBondContact O-CB 3.48Å; W222-L226 VanDerWaalsContact O-CG 3.27Å; W222-L226 WeakPolarHBondContact O-CG 3.4Å; W222-L226 PolarHBondContact O-N 3.14Å; Q223-L226 PolarHBondContact O-N 3.37Å; L226-G228 VanDerWaalsContact C-N 3.35Å; L226-A229 PolarHBondContact O-N 3.2Å; L226-A230 VanDerWaalsContact O-CB 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.32Å; L226-A230 PolarHBondContact O-N 3.05Å; L226-L502 HydrophobicContact CB-CD1 4.09Å
227	A	81.7	Confident	78.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-45.3	176.1	0	0	0	0	0	111	Q223 H224 A230 A231 Y495 V498 R499 L502	Q223-A227 VanDerWaalsContact O-CB 3.25Å; Q223-A227 WeakPolarHBondContact O-CB 3.42Å; Q223-A227 PolarHBondContact O-N 3.25Å; H224-A227 PolarHBondContact O-N 2.93Å; A227-A230 PolarHBondContact O-N 3.12Å; A227-A231 WeakPolarHBondContact O-CB 3.41Å; A227-A231 PolarHBondContact O-N 3.49Å; A227-Y495 HydrophobicContact CB-CD2 3.81Å; A227-Y495 HydrophobicContact CB-CE2 3.84Å; A227-V498 HydrophobicContact CB-CB 4.25Å; A227-V498 HydrophobicContact CB-CG1 3.97Å; A227-R499 HydrophobicContact CB-CB 4.15Å; A227-L502 HydrophobicContact CB-CD1 4.41Å
228	G	78.5	Confident	80	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-39.3	176.2	0	0	0	0	0	112.9	I206 H224 L225 L226 G232	I206-G228 WeakPolarHBondContact CG2-O 3.26Å; H224-G228 PolarHBondContact O-N 3.05Å; L225-G228 PolarHBondContact O-N 2.91Å; L226-G228 VanDerWaalsContact C-N 3.35Å; G228-G232 PolarHBondContact O-N 3.29Å
229	A	83	Confident	81.5	Confident	13 Å²	13	32 Å²	32	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-41.6	174.9	0	0	0	0	0	112.2	L225 L226 S233 I288	L225-A229 WeakPolarHBondContact O-CB 3.34Å; L225-A229 PolarHBondContact O-N 3.14Å; L226-A229 PolarHBondContact O-N 3.2Å; A229-S233 VanDerWaalsContact O-CB 3.27Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-N 3.43Å; A229-S233 PolarHBondContact O-OG 3.45Å; A229-I288 HydrophobicContact CB-CG2 4.36Å
230	A	86.9	Confident	82.8	Confident	32 Å²	32	31.2 Å²	31.2	26%	0.264	17%	0.168	S	C	.	.	H	α-helix	trans	-66.1	-47.6	175.8	0	0	0	0	0	111.2	L226 A227 G232 S233 V234 V498	L226-A230 VanDerWaalsContact O-CB 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.32Å; L226-A230 PolarHBondContact O-N 3.05Å; A227-A230 PolarHBondContact O-N 3.12Å; A230-G232 PolarHBondContact O-N 2.8Å; A230-S233 PolarHBondContact O-N 2.83Å; A230-S233 VanDerWaalsContact O-N 3.11Å; A230-V234 WeakPolarHBondContact O-CG2 3.22Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V498 HydrophobicContact CB-CG1 4.18Å; A230-V498 HydrophobicContact CB-CG2 4.03Å
231	A	84.6	Confident	83.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-48.1	175	0	0	0	0	0	111.9	I206 A227 S233 V234 S235 S491 V494	I206-A231 HydrophobicContact CG2-CB 3.71Å; A227-A231 WeakPolarHBondContact O-CB 3.41Å; A227-A231 PolarHBondContact O-N 3.49Å; A231-S233 VanDerWaalsContact C-N 3.33Å; A231-S233 PolarHBondContact O-N 3.44Å; A231-V234 PolarHBondContact O-N 3.22Å; A231-S235 WeakPolarHBondContact O-CB 3.42Å; A231-S235 PolarHBondContact O-N 3.11Å; A231-S491 WeakPolarHBondContact CB-O 3.24Å; A231-V494 VanDerWaalsContact CA-CG1 3.49Å; A231-V494 HydrophobicContact CB-CB 4.17Å; A231-V494 HydrophobicContact CB-CG1 4.11Å
232	G	81.9	Confident	84.9	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-37.5	174.7	0	0	0	0	0	113.6	G228 A230 R236	G228-G232 PolarHBondContact O-N 3.29Å; A230-G232 PolarHBondContact O-N 2.8Å; G232-R236 WeakPolarHBondContact O-CB 2.94Å; G232-R236 VanDerWaalsContact O-CG 3.26Å; G232-R236 WeakPolarHBondContact O-CG 3.46Å; G232-R236 PolarHBondContact O-N 3.49Å
233	S	88.6	Confident	85.5	Confident	31 Å²	31	24.8 Å²	24.8	22%	0.217	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-46.1	-179.9	-63.1	0	0	0	0	111.5	A229 A230 A231 T237 V285 I288	A229-S233 VanDerWaalsContact O-CB 3.27Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-N 3.43Å; A229-S233 PolarHBondContact O-OG 3.45Å; A230-S233 PolarHBondContact O-N 2.83Å; A230-S233 VanDerWaalsContact O-N 3.11Å; A231-S233 VanDerWaalsContact C-N 3.33Å; A231-S233 PolarHBondContact O-N 3.44Å; S233-T237 VanDerWaalsContact O-CB 3.25Å; S233-T237 WeakPolarHBondContact O-CB 3.47Å; S233-T237 PolarHBondContact O-N 3.5Å; S233-T237 PolarHBondContact O-OG1 2.8Å; S233-V285 WeakPolarHBondContact OG-CG1 3.45Å; S233-I288 VanDerWaalsContact N-CD1 3.34Å; S233-I288 WeakPolarHBondContact OG-CD1 3.49Å
234	V	89.8	Confident	85.9	Confident	60 Å²	60	23.4 Å²	23.4	36%	0.364	14%	0.143	S	C	.	.	H	α-helix	trans	-67.3	-49.7	178.3	177.3	0	0	0	0	110.1	A230 A231 R236 T237 C238 I490 V494	A230-V234 WeakPolarHBondContact O-CG2 3.22Å; A230-V234 PolarHBondContact O-N 2.91Å; A231-V234 PolarHBondContact O-N 3.22Å; V234-R236 PolarHBondContact O-N 2.83Å; V234-T237 PolarHBondContact O-N 3.29Å; V234-T237 VanDerWaalsContact O-N 3.09Å; V234-C238 PolarHBondContact O-N 3.17Å; V234-C238 PolarHBondContact O-SG 2.88Å; V234-C238 VanDerWaalsContact O-SG 3.36Å; V234-I490 HydrophobicContact CG1-CG2 3.95Å; V234-V494 HydrophobicContact CB-CG1 4.22Å; V234-V494 HydrophobicContact CB-CG2 4.03Å; V234-V494 HydrophobicContact CG1-CG2 3.77Å; V234-V494 HydrophobicContact CG2-CG1 4.08Å; V234-V494 HydrophobicContact CG2-CG2 4.49Å
235	S	86.9	Confident	86.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.1	-48.7	178.3	178.3	0	0	0	0	112.4	A231 T237 C238 T239 S487 S491	A231-S235 WeakPolarHBondContact O-CB 3.42Å; A231-S235 PolarHBondContact O-N 3.11Å; S235-T237 VanDerWaalsContact C-N 3.32Å; S235-T237 PolarHBondContact O-N 3.45Å; S235-C238 PolarHBondContact O-N 3.01Å; S235-T239 WeakPolarHBondContact O-CB 3.44Å; S235-T239 WeakPolarHBondContact O-CG2 3.33Å; S235-T239 PolarHBondContact O-N 3.44Å; S235-T239 PolarHBondContact O-OG1 2.73Å; S235-S487 PolarHBondContact OG-O 3.48Å; S235-S487 VanDerWaalsContact OG-O 3.09Å; S235-S487 PolarHBondContact OG-OG 3.2Å; S235-S491 WeakPolarHBondContact CB-OG 3.31Å; S235-S491 PolarHBondContact OG-OG 3.46Å
236	R	87.1	Confident	87.3	Confident	17 Å²	17	22.9 Å²	22.9	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-32.9	177	-75.6	-178.1	177.7	169.4	11.6	112.5	D204 G232 V234 A240 N281 N284 K287 E291	D204-R236 IonicContact OD1-CZ 3.47Å; D204-R236 IonicContact OD1-NH2 3.67Å; D204-R236 PolarHBondContact OD1-NH2 3.32Å; G232-R236 WeakPolarHBondContact O-CB 2.94Å; G232-R236 VanDerWaalsContact O-CG 3.26Å; G232-R236 WeakPolarHBondContact O-CG 3.46Å; G232-R236 PolarHBondContact O-N 3.49Å; V234-R236 PolarHBondContact O-N 2.83Å; R236-A240 WeakPolarHBondContact O-CA 3.15Å; R236-A240 WeakPolarHBondContact O-CB 3.41Å; R236-A240 PolarHBondContact O-N 2.83Å; R236-N281 PolarHBondContact O-OD1 3.05Å; R236-N284 WeakPolarHBondContact CB-ND2 3.27Å; R236-N284 WeakPolarHBondContact CD-ND2 3.36Å; R236-N284 WeakPolarHBondContact CD-O 3.18Å; R236-N284 PolarHBondContact NH1-O 3.42Å; R236-K287 VanDerWaalsContact NH1-CG 3.3Å; R236-E291 IonicContact NH2-OE2 3.7Å
237	T	91.8	Very high	87.6	Confident	51 Å²	51	19.2 Å²	19.2	31%	0.313	12%	0.12	S	C	.	.	H	α-helix	trans	-73.5	-41	177.8	-60.5	0	0	0	0	112.3	S233 V234 S235 T239 A240 W278 N281	S233-T237 VanDerWaalsContact O-CB 3.25Å; S233-T237 WeakPolarHBondContact O-CB 3.47Å; S233-T237 PolarHBondContact O-N 3.5Å; S233-T237 PolarHBondContact O-OG1 2.8Å; V234-T237 PolarHBondContact O-N 3.29Å; V234-T237 VanDerWaalsContact O-N 3.09Å; S235-T237 VanDerWaalsContact C-N 3.32Å; S235-T237 PolarHBondContact O-N 3.45Å; T237-T239 VanDerWaalsContact C-N 3.31Å; T237-T239 PolarHBondContact O-N 3.26Å; T237-A240 WeakPolarHBondContact O-CB 3.07Å; T237-A240 PolarHBondContact O-N 2.84Å; T237-W278 PolarHBondContact O-NE1 3.09Å; T237-N281 PolarHBondContact OG1-ND2 3.31Å
238	C	90.9	Very high	88	Confident	71 Å²	71	20.1 Å²	20.1	48%	0.48	12%	0.124	S	C	.	.	H	α-helix	trans	-65.3	-36.4	174.6	-68.7	0	0	0	0	111.7	V234 S235 I490	V234-C238 PolarHBondContact O-N 3.17Å; V234-C238 PolarHBondContact O-SG 2.88Å; V234-C238 VanDerWaalsContact O-SG 3.36Å; S235-C238 PolarHBondContact O-N 3.01Å; C238-I490 HydrophobicContact CB-CD1 3.7Å
239	T	88.9	Confident	88.4	Confident	5 Å²	5	20.6 Å²	20.6	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-92.3	-3.5	-178.7	60	0	0	0	0	114.3	S235 T237 P241 L242 D243 K483	S235-T239 WeakPolarHBondContact O-CB 3.44Å; S235-T239 WeakPolarHBondContact O-CG2 3.33Å; S235-T239 PolarHBondContact O-N 3.44Å; S235-T239 PolarHBondContact O-OG1 2.73Å; T237-T239 VanDerWaalsContact C-N 3.31Å; T237-T239 PolarHBondContact O-N 3.26Å; T239-P241 VanDerWaalsContact C-CD 3.43Å; T239-P241 VanDerWaalsContact C-N 3.34Å; T239-L242 PolarHBondContact O-N 2.89Å; T239-D243 PolarHBondContact O-N 2.82Å; T239-K483 HydrophobicContact CG2-CG 3.96Å
240	A	90.6	Very high	88.6	Confident	6 Å²	6	20 Å²	20	5%	0.05	12%	0.122	C	C	.	.	H	α-helix	trans	-53.3	-40	-179.4	0	0	0	0	0	114.2	R236 T237 L242 D243 R244 W278 N281	R236-A240 WeakPolarHBondContact O-CA 3.15Å; R236-A240 WeakPolarHBondContact O-CB 3.41Å; R236-A240 PolarHBondContact O-N 2.83Å; T237-A240 WeakPolarHBondContact O-CB 3.07Å; T237-A240 PolarHBondContact O-N 2.84Å; A240-L242 VanDerWaalsContact C-N 3.34Å; A240-L242 PolarHBondContact O-N 3.47Å; A240-D243 PolarHBondContact O-N 2.88Å; A240-R244 PolarHBondContact O-N 3.37Å; A240-W278 HydrophobicContact CB-CG 4.36Å; A240-N281 HydrophobicContact CB-CB 3.98Å
241	P	91.6	Very high	88.5	Confident	30 Å²	30	20.4 Å²	20.4	20%	0.195	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-41.7	176.1	-26.1	36.7	0	0	0	113.1	T239 R244 V245 M277 W278	T239-P241 VanDerWaalsContact C-CD 3.43Å; T239-P241 VanDerWaalsContact C-N 3.34Å; P241-R244 PolarHBondContact O-N 2.59Å; P241-V245 WeakPolarHBondContact O-CG2 3.49Å; P241-V245 PolarHBondContact O-N 3.18Å; P241-V245 VanDerWaalsContact O-N 3.13Å; P241-M277 HydrophobicContact CB-CB 4.08Å; P241-M277 HydrophobicContact CB-CE 3.7Å; P241-M277 HydrophobicContact CG-CB 4.2Å; P241-M277 WeakPolarHBondContact O-CE 3.15Å; P241-W278 HydrophobicContact CG-CH2 4.01Å; P241-W278 HydrophobicContact CG-CZ2 3.81Å; P241-W278 HydrophobicContact CG-CZ3 4.47Å
242	L	90.5	Very high	88.4	Confident	35 Å²	35	24.4 Å²	24.4	18%	0.183	14%	0.139	C	C	.	.	H	α-helix	trans	-68.7	-39.9	177.6	-66.6	173.6	0	0	0	111.2	T239 A240 R244 V245 K246 F261 M482 K483	T239-L242 PolarHBondContact O-N 2.89Å; A240-L242 VanDerWaalsContact C-N 3.34Å; A240-L242 PolarHBondContact O-N 3.47Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.2Å; L242-V245 PolarHBondContact O-N 2.9Å; L242-K246 WeakPolarHBondContact O-CB 3.24Å; L242-K246 PolarHBondContact O-N 3.34Å; L242-F261 HydrophobicContact CD2-CE2 3.96Å; L242-F261 HydrophobicContact CD2-CZ 3.93Å; L242-M482 HydrophobicContact CD1-CB 4.14Å; L242-M482 HydrophobicContact CD2-CB 4.29Å; L242-K483 HydrophobicContact CB-CB 4.16Å; L242-K483 HydrophobicContact CD1-CB 3.95Å
243	D	87.5	Confident	87.9	Confident	15 Å²	15	24.5 Å²	24.5	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-41	176.7	-161	47.8	0	0	0	111.4	T239 A240 K246 V247 K342	T239-D243 PolarHBondContact O-N 2.82Å; A240-D243 PolarHBondContact O-N 2.88Å; D243-K246 WeakPolarHBondContact O-CB 3.5Å; D243-K246 PolarHBondContact O-N 2.93Å; D243-V247 WeakPolarHBondContact O-CG2 3.4Å; D243-V247 PolarHBondContact O-N 2.91Å; D243-K342 IonicContact OD1-NZ 3.56Å; D243-K342 WeakPolarHBondContact OD2-CE 3.27Å; D243-K342 IonicContact OD2-NZ 3.55Å; D243-K342 PolarHBondContact OD2-NZ 3.3Å
244	R	90.2	Very high	86.8	Confident	6 Å²	6	24.6 Å²	24.6	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-43.9	175	-166.6	-175.1	-164.3	-155.4	-150.7	111.9	A240 P241 L242 V247 F248 L268 G276 A346	A240-R244 PolarHBondContact O-N 3.37Å; P241-R244 PolarHBondContact O-N 2.59Å; L242-R244 VanDerWaalsContact C-N 3.33Å; L242-R244 PolarHBondContact O-N 3.2Å; R244-V247 PolarHBondContact O-N 3.04Å; R244-F248 VanDerWaalsContact O-CB 3.29Å; R244-F248 WeakPolarHBondContact O-CB 3.27Å; R244-F248 PolarHBondContact O-N 2.58Å; R244-L268 HydrophobicContact CG-CD1 4.23Å; R244-G276 WeakPolarHBondContact CD-O 3.44Å; R244-G276 PolarHBondContact NE-O 2.73Å; R244-G276 PolarHBondContact NH1-O 3.19Å; R244-G276 PolarHBondContact NH2-O 2.94Å; R244-G276 VanDerWaalsContact NH2-O 3.11Å; R244-A346 PolarHBondContact NE-O 2.97Å
245	V	90.5	Very high	85.4	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-42.3	177.1	177.6	0	0	0	0	110.7	P241 L242 F248 L249 F261 L265 L268 M277 P479	P241-V245 WeakPolarHBondContact O-CG2 3.49Å; P241-V245 PolarHBondContact O-N 3.18Å; P241-V245 VanDerWaalsContact O-N 3.13Å; L242-V245 PolarHBondContact O-N 2.9Å; V245-F248 PolarHBondContact O-N 3.03Å; V245-L249 HydrophobicContact CG1-CD1 3.74Å; V245-L249 HydrophobicContact CG1-CG 4.11Å; V245-L249 WeakPolarHBondContact O-CB 3.29Å; V245-L249 VanDerWaalsContact O-CG 3.26Å; V245-L249 WeakPolarHBondContact O-CG 3.25Å; V245-L249 PolarHBondContact O-N 3.41Å; V245-F261 HydrophobicContact CB-CE2 4.3Å; V245-F261 HydrophobicContact CG1-CD2 3.6Å; V245-F261 HydrophobicContact CG1-CE2 3.75Å; V245-L265 HydrophobicContact CG2-CB 4.27Å; V245-L265 HydrophobicContact CG2-CD1 3.9Å; V245-L268 HydrophobicContact CG2-CD1 3.93Å; V245-M277 HydrophobicContact CG2-CE 3.8Å; V245-P479 HydrophobicContact CB-CB 4.43Å; V245-P479 HydrophobicContact CG1-CB 4.36Å; V245-P479 HydrophobicContact CG1-CG 4.38Å
246	K	89.9	Confident	84.1	Confident	22 Å²	22	37.6 Å²	37.6	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-58.2	173.8	172.4	-175.3	174	177	0	110.3	E203 L242 D243 F248 L249 Q250 P479 N480	E203-K246 IonicContact OE1-NZ 3.22Å; E203-K246 IonicContact OE2-NZ 3.44Å; L242-K246 WeakPolarHBondContact O-CB 3.24Å; L242-K246 PolarHBondContact O-N 3.34Å; D243-K246 WeakPolarHBondContact O-CB 3.5Å; D243-K246 PolarHBondContact O-N 2.93Å; K246-F248 VanDerWaalsContact C-N 3.33Å; K246-F248 PolarHBondContact O-N 3Å; K246-L249 PolarHBondContact O-N 2.96Å; K246-Q250 HydrophobicContact CG-CG 4.47Å; K246-Q250 WeakPolarHBondContact O-CB 3.36Å; K246-Q250 VanDerWaalsContact O-CG 3.25Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 3.2Å; K246-P479 HydrophobicContact CB-CB 4.15Å; K246-P479 HydrophobicContact CB-CG 3.82Å; K246-N480 HydrophobicContact CD-CB 4.25Å; K246-N480 WeakPolarHBondContact CE-OD1 3.25Å; K246-N480 PolarHBondContact NZ-OD1 2.92Å
247	V	88.7	Confident	83.2	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-40.4	-177.4	174.3	0	0	0	0	111.4	D243 R244 Q250 V251 T343 A346 L347 T441	D243-V247 WeakPolarHBondContact O-CG2 3.4Å; D243-V247 PolarHBondContact O-N 2.91Å; R244-V247 PolarHBondContact O-N 3.04Å; V247-Q250 PolarHBondContact O-N 3.09Å; V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.27Å; V247-T343 HydrophobicContact CG1-CG2 3.98Å; V247-A346 HydrophobicContact CG1-CB 4.33Å; V247-L347 HydrophobicContact CG1-CD1 3.92Å; V247-L347 HydrophobicContact CG1-CD2 3.77Å; V247-L347 HydrophobicContact CG1-CG 3.64Å; V247-T441 HydrophobicContact CG1-CG2 4Å; V247-T441 HydrophobicContact CG2-CG2 4.48Å
248	F	89.9	Confident	82.1	Confident	20 Å²	20	43.8 Å²	43.8	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-47.8	176.7	179.4	-100.1	0	0	0	112.5	R244 V245 K246 V251 H252 V259 L268	R244-F248 VanDerWaalsContact O-CB 3.29Å; R244-F248 WeakPolarHBondContact O-CB 3.27Å; R244-F248 PolarHBondContact O-N 2.58Å; V245-F248 PolarHBondContact O-N 3.03Å; K246-F248 VanDerWaalsContact C-N 3.33Å; K246-F248 PolarHBondContact O-N 3Å; F248-V251 PolarHBondContact O-N 3.45Å; F248-H252 AromaticContact CD2-ND1 3.46Å; F248-H252 WeakPolarHBondContact CD2-ND1 3.25Å; F248-H252 HydrophobicContact CE2-CB 4.27Å; F248-H252 AromaticContact CE2-CG 3.96Å; F248-H252 AromaticContact CE2-ND1 3.6Å; F248-H252 HydrophobicContact CZ-CB 4.28Å; F248-H252 WeakPolarHBondContact O-CB 3.24Å; F248-H252 PolarHBondContact O-N 3.4Å; F248-H252 PolarHBondContact O-ND1 2.96Å; F248-V259 HydrophobicContact CE1-CG1 4.22Å; F248-L268 HydrophobicContact CB-CD1 3.85Å; F248-L268 HydrophobicContact CB-CD2 4.33Å; F248-L268 HydrophobicContact CB-CG 4.45Å; F248-L268 HydrophobicContact CD1-CD1 4.23Å; F248-L268 HydrophobicContact CD1-CG 4.28Å; F248-L268 HydrophobicContact CD2-CD2 3.71Å; F248-L268 HydrophobicContact CD2-CG 4.26Å; F248-L268 HydrophobicContact CE2-CD2 4.13Å; F248-L268 HydrophobicContact CG-CD1 3.98Å; F248-L268 HydrophobicContact CG-CD2 3.97Å; F248-L268 HydrophobicContact CG-CG 4.08Å
249	L	87.6	Confident	81.4	Confident	9 Å²	9	41 Å²	41	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-40.1	178.1	-68	176.1	0	0	0	111.8	V245 K246 V251 A253 V259 P479	V245-L249 HydrophobicContact CG1-CD1 3.74Å; V245-L249 HydrophobicContact CG1-CG 4.11Å; V245-L249 WeakPolarHBondContact O-CB 3.29Å; V245-L249 VanDerWaalsContact O-CG 3.26Å; V245-L249 WeakPolarHBondContact O-CG 3.25Å; V245-L249 PolarHBondContact O-N 3.41Å; K246-L249 PolarHBondContact O-N 2.96Å; L249-V251 PolarHBondContact O-N 3.11Å; L249-A253 HydrophobicContact CB-CB 4.47Å; L249-A253 HydrophobicContact CD2-CB 4.26Å; L249-A253 WeakPolarHBondContact O-CB 3.37Å; L249-A253 PolarHBondContact O-N 3.35Å; L249-A253 VanDerWaalsContact O-N 3.11Å; L249-V259 HydrophobicContact CD2-CB 4.23Å; L249-V259 HydrophobicContact CD2-CG1 3.74Å; L249-V259 WeakPolarHBondContact CD2-O 3.44Å; L249-P479 HydrophobicContact CD1-CG 4.2Å
250	Q	86.4	Confident	81.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-32.6	177.8	-79.1	-175.7	-22.1	0	0	112.7	K246 V247 Y434 L438 T441 R442 R475	K246-Q250 HydrophobicContact CG-CG 4.47Å; K246-Q250 WeakPolarHBondContact O-CB 3.36Å; K246-Q250 VanDerWaalsContact O-CG 3.25Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 3.2Å; V247-Q250 PolarHBondContact O-N 3.09Å; Q250-Y434 PolarHBondContact NE2-OH 3.45Å; Q250-L438 HydrophobicContact CB-CD1 3.65Å; Q250-L438 HydrophobicContact CG-CD1 3.6Å; Q250-T441 HydrophobicContact CB-CG2 4.09Å; Q250-T441 VanDerWaalsContact OE1-CB 3.27Å; Q250-T441 VanDerWaalsContact OE1-CG2 3.28Å; Q250-T441 PolarHBondContact OE1-OG1 2.86Å; Q250-R442 WeakPolarHBondContact O-CG 3.32Å; Q250-R442 PolarHBondContact O-NE 2.68Å; Q250-R442 PolarHBondContact O-NH2 3.3Å; Q250-R475 VanDerWaalsContact CG-O 3.25Å; Q250-R475 WeakPolarHBondContact CG-O 3.48Å
251	V	85.2	Confident	80.8	Confident	42 Å²	42	50.1 Å²	50.1	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-98	-44.6	-175.8	177.3	0	0	0	0	113.3	V247 F248 L249 L347 T441 A445	V247-V251 WeakPolarHBondContact O-CG2 3.49Å; V247-V251 PolarHBondContact O-N 3.27Å; F248-V251 PolarHBondContact O-N 3.45Å; L249-V251 PolarHBondContact O-N 3.11Å; V251-L347 HydrophobicContact CB-CD1 4.33Å; V251-L347 HydrophobicContact CB-CD2 3.95Å; V251-L347 HydrophobicContact CG1-CD1 4.34Å; V251-L347 HydrophobicContact CG1-CD2 4.35Å; V251-L347 HydrophobicContact CG2-CD1 3.76Å; V251-L347 HydrophobicContact CG2-CD2 4.05Å; V251-T441 HydrophobicContact CG2-CG2 4Å; V251-A445 HydrophobicContact CB-CB 4.44Å; V251-A445 HydrophobicContact CG1-CB 3.96Å; V251-A445 HydrophobicContact CG2-CB 3.58Å
252	H	81.9	Confident	80.6	Confident	83 Å²	83	56.3 Å²	56.3	38%	0.384	26%	0.264	S	S	.	.	H	α-helix	trans	-100	-21.4	-170.4	-65	96.9	0	0	0	114.4	F248 S254	F248-H252 AromaticContact CD2-ND1 3.46Å; F248-H252 WeakPolarHBondContact CD2-ND1 3.25Å; F248-H252 HydrophobicContact CE2-CB 4.27Å; F248-H252 AromaticContact CE2-CG 3.96Å; F248-H252 AromaticContact CE2-ND1 3.6Å; F248-H252 HydrophobicContact CZ-CB 4.28Å; F248-H252 WeakPolarHBondContact O-CB 3.24Å; F248-H252 PolarHBondContact O-N 3.4Å; F248-H252 PolarHBondContact O-ND1 2.96Å; H252-S254 PolarHBondContact O-N 2.7Å
253	A	70.7	Confident	80.4	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.033	27%	0.274	C	S	.	.			trans	-73.4	114.5	178.5	0	0	0	0	0	109	L249 V259 R475	L249-A253 HydrophobicContact CB-CB 4.47Å; L249-A253 HydrophobicContact CD2-CB 4.26Å; L249-A253 WeakPolarHBondContact O-CB 3.37Å; L249-A253 PolarHBondContact O-N 3.35Å; L249-A253 VanDerWaalsContact O-N 3.11Å; A253-V259 HydrophobicContact CB-CB 4.45Å; A253-R475 VanDerWaalsContact C-NH1 3.33Å; A253-R475 WeakPolarHBondContact O-CD 3.46Å; A253-R475 PolarHBondContact O-NH1 3.05Å
254	S	66.2	Low	80.3	Confident	33 Å²	33	56.6 Å²	56.6	23%	0.231	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-118.1	161.8	176.4	-172.2	0	0	0	0	109.2	H252 R256 N257 R475	H252-S254 PolarHBondContact O-N 2.7Å; S254-R256 PolarHBondContact O-N 2.86Å; S254-N257 PolarHBondContact N-O 2.72Å; S254-N257 CarbonylContact O-C 3.11Å; S254-N257 PolarHBondContact O-N 2.9Å; S254-R475 VanDerWaalsContact C-CZ 3.46Å; S254-R475 VanDerWaalsContact C-NH2 3.3Å
255	V	59.8	Low	80.2	Confident	86 Å²	86	58.8 Å²	58.8	52%	0.521	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.2	172.1	171.3	0	0	0	0	110.9	N257 E468	V255-N257 VanDerWaalsContact C-N 3.28Å; V255-N257 PolarHBondContact O-N 3.47Å; V255-E468 HydrophobicContact CG2-CB 4.04Å; V255-E468 HydrophobicContact CG2-CG 4.39Å; V255-E468 WeakPolarHBondContact CG2-O 3.38Å
256	R	60.2	Low	80.2	Confident	246 Å²	246	67.3 Å²	67.3	93%	0.928	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.5	175	-169.2	174.9	180	-177.5	1.1	113.8	S254	S254-R256 PolarHBondContact O-N 2.86Å
257	N	67.6	Low	80	Confident	81 Å²	81	70.3 Å²	70.3	43%	0.433	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-129.4	88.5	-177.2	-167.9	14.4	0	0	0	108.2	S254 V255 V259	S254-N257 PolarHBondContact N-O 2.72Å; S254-N257 CarbonylContact O-C 3.11Å; S254-N257 PolarHBondContact O-N 2.9Å; V255-N257 VanDerWaalsContact C-N 3.28Å; V255-N257 PolarHBondContact O-N 3.47Å; N257-V259 HydrophobicContact CB-CG2 4.3Å; N257-V259 WeakPolarHBondContact ND2-CG2 3.17Å; N257-V259 PolarHBondContact O-N 2.98Å; N257-V259 VanDerWaalsContact OD1-CG2 3.27Å; N257-V259 WeakPolarHBondContact OD1-CG2 3.43Å
258	N	68.6	Low	80	Confident	118 Å²	118	70.2 Å²	70.2	63%	0.631	33%	0.328	S	S	*	.			trans	-70.9	52.2	-174.6	-162.6	3	0	0	0	112.3	R260	N258-R260 PolarHBondContact O-N 2.87Å; N258-R260 VanDerWaalsContact O-N 3.08Å
259	V	76.9	Confident	80	Confident	11 Å²	11	71.5 Å²	71.5	7%	0.067	34%	0.338	C	S	.	.			trans	-72.3	103.1	178.3	-172.6	0	0	0	0	107.6	F248 L249 A253 N257 G264 M267	F248-V259 HydrophobicContact CE1-CG1 4.22Å; L249-V259 HydrophobicContact CD2-CB 4.23Å; L249-V259 HydrophobicContact CD2-CG1 3.74Å; L249-V259 WeakPolarHBondContact CD2-O 3.44Å; A253-V259 HydrophobicContact CB-CB 4.45Å; N257-V259 HydrophobicContact CB-CG2 4.3Å; N257-V259 WeakPolarHBondContact ND2-CG2 3.17Å; N257-V259 PolarHBondContact O-N 2.98Å; N257-V259 VanDerWaalsContact OD1-CG2 3.27Å; N257-V259 WeakPolarHBondContact OD1-CG2 3.43Å; V259-G264 VanDerWaalsContact CG1-CA 3.46Å; V259-M267 HydrophobicContact CG1-SD 4.31Å; V259-M267 HydrophobicContact CG2-SD 4.37Å
260	R	82	Confident	80.1	Confident	178 Å²	178	77.4 Å²	77.4	67%	0.672	37%	0.368	S	S	*	.			trans	-82.7	171.9	170.2	-61.8	-179.2	-176.2	167.2	-1.7	110.4	N258 F262 S263 G264	N258-R260 PolarHBondContact O-N 2.87Å; N258-R260 VanDerWaalsContact O-N 3.08Å; R260-F262 PolarHBondContact O-N 3.38Å; R260-S263 PolarHBondContact O-N 3.27Å; R260-S263 VanDerWaalsContact O-N 3.16Å; R260-G264 PolarHBondContact O-N 2.92Å
261	F	85.2	Confident	80	Confident	26 Å²	26	80.9 Å²	80.9	11%	0.114	39%	0.385	C	S	.	.	H	α-helix	trans	-47.8	-57.3	-179.8	175.4	-100.8	0	0	0	113.9	L242 V245 S263 G264 L265 T478 P479 M482	L242-F261 HydrophobicContact CD2-CE2 3.96Å; L242-F261 HydrophobicContact CD2-CZ 3.93Å; V245-F261 HydrophobicContact CB-CE2 4.3Å; V245-F261 HydrophobicContact CG1-CD2 3.6Å; V245-F261 HydrophobicContact CG1-CE2 3.75Å; F261-S263 VanDerWaalsContact C-N 3.33Å; F261-S263 PolarHBondContact O-N 3.22Å; F261-G264 PolarHBondContact O-N 2.97Å; F261-L265 HydrophobicContact CE1-CD2 4.35Å; F261-L265 HydrophobicContact CZ-CD2 4.4Å; F261-L265 WeakPolarHBondContact O-CB 3.43Å; F261-L265 PolarHBondContact O-N 2.74Å; F261-T478 HydrophobicContact CB-CG2 4.49Å; F261-P479 HydrophobicContact CD2-CB 4.05Å; F261-P479 HydrophobicContact CD2-CG 4.37Å; F261-P479 HydrophobicContact CE2-CB 3.92Å; F261-M482 HydrophobicContact CE1-CE 4.29Å; F261-M482 HydrophobicContact CE1-SD 4.13Å; F261-M482 HydrophobicContact CE2-SD 4.26Å; F261-M482 HydrophobicContact CZ-CE 4.17Å; F261-M482 HydrophobicContact CZ-SD 3.95Å
262	F	86.9	Confident	79.7	Confident	160 Å²	160	79.8 Å²	79.8	70%	0.702	38%	0.382	S	S	*	.	H	α-helix	trans	-65.1	-34.5	-178.4	-68.1	-73.3	0	0	0	113.4	R260 R266	R260-F262 PolarHBondContact O-N 3.38Å; F262-R266 VanDerWaalsContact O-CB 3.26Å; F262-R266 WeakPolarHBondContact O-CB 3.38Å; F262-R266 PolarHBondContact O-N 2.97Å
263	S	86.1	Confident	79.9	Confident	56 Å²	56	77.5 Å²	77.5	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-67.7	-45.9	175.3	176.4	0	0	0	0	110.9	R260 F261 R266 M267	R260-S263 PolarHBondContact O-N 3.27Å; R260-S263 VanDerWaalsContact O-N 3.16Å; F261-S263 VanDerWaalsContact C-N 3.33Å; F261-S263 PolarHBondContact O-N 3.22Å; S263-R266 PolarHBondContact O-N 2.91Å; S263-M267 VanDerWaalsContact O-CG 3.29Å; S263-M267 WeakPolarHBondContact O-CG 3.32Å; S263-M267 PolarHBondContact O-N 3.3Å
264	G	85.7	Confident	80.6	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-64.1	-42.1	176.9	0	0	0	0	0	112.6	V259 R260 F261 M267 L268	V259-G264 VanDerWaalsContact CG1-CA 3.46Å; R260-G264 PolarHBondContact O-N 2.92Å; F261-G264 PolarHBondContact O-N 2.97Å; G264-M267 PolarHBondContact O-N 2.84Å; G264-L268 WeakPolarHBondContact O-CG 3.44Å; G264-L268 PolarHBondContact O-N 3.31Å
265	L	89	Confident	81.5	Confident	52 Å²	52	91.1 Å²	91.1	27%	0.272	44%	0.441	S	S	.	.	H	α-helix	trans	-59.3	-48.9	172.8	178.4	61.2	0	0	0	110.9	V245 F261 M267 L268 V269 M277	V245-L265 HydrophobicContact CG2-CB 4.27Å; V245-L265 HydrophobicContact CG2-CD1 3.9Å; F261-L265 HydrophobicContact CE1-CD2 4.35Å; F261-L265 HydrophobicContact CZ-CD2 4.4Å; F261-L265 WeakPolarHBondContact O-CB 3.43Å; F261-L265 PolarHBondContact O-N 2.74Å; L265-M267 PolarHBondContact O-N 2.86Å; L265-L268 PolarHBondContact O-N 3.15Å; L265-V269 HydrophobicContact CD1-CG2 4.12Å; L265-V269 VanDerWaalsContact O-CG2 3.29Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.31Å; L265-M277 HydrophobicContact CD1-CE 3.38Å; L265-M277 HydrophobicContact CD1-SD 4.17Å
266	R	89.5	Confident	82.7	Confident	180 Å²	180	87.4 Å²	87.4	68%	0.679	42%	0.42	S	S	*	.	H	α-helix	trans	-59.8	-44.4	177.5	-176.2	177.9	178.4	-179.8	-0.1	111.8	F262 S263 L268 V269 L270	F262-R266 VanDerWaalsContact O-CB 3.26Å; F262-R266 WeakPolarHBondContact O-CB 3.38Å; F262-R266 PolarHBondContact O-N 2.97Å; S263-R266 PolarHBondContact O-N 2.91Å; R266-L268 PolarHBondContact O-N 3.27Å; R266-V269 PolarHBondContact O-N 3Å; R266-L270 HydrophobicContact CG-CD1 3.84Å; R266-L270 HydrophobicContact CG-CG 4.28Å; R266-L270 WeakPolarHBondContact O-CB 3.34Å; R266-L270 VanDerWaalsContact O-CG 3.23Å; R266-L270 WeakPolarHBondContact O-CG 3.42Å; R266-L270 PolarHBondContact O-N 3.19Å
267	M	87.1	Confident	84.1	Confident	85 Å²	85	76.1 Å²	76.1	42%	0.419	38%	0.377	S	S	.	.	H	α-helix	trans	-60.2	-45.7	177.2	-72.4	179.5	76.7	0	0	111.8	V259 S263 G264 L265 L270 E271	V259-M267 HydrophobicContact CG1-SD 4.31Å; V259-M267 HydrophobicContact CG2-SD 4.37Å; S263-M267 VanDerWaalsContact O-CG 3.29Å; S263-M267 WeakPolarHBondContact O-CG 3.32Å; S263-M267 PolarHBondContact O-N 3.3Å; G264-M267 PolarHBondContact O-N 2.84Å; L265-M267 PolarHBondContact O-N 2.86Å; M267-L270 PolarHBondContact O-N 3.33Å; M267-E271 WeakPolarHBondContact O-CB 3.46Å; M267-E271 PolarHBondContact O-N 3.5Å
268	L	87.6	Confident	85.1	Confident	5 Å²	5	77.5 Å²	77.5	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-65.9	-38.8	179.3	-73.3	171.6	0	0	0	112.9	R244 V245 F248 G264 L265 R266 G272 M277	R244-L268 HydrophobicContact CG-CD1 4.23Å; V245-L268 HydrophobicContact CG2-CD1 3.93Å; F248-L268 HydrophobicContact CB-CD1 3.85Å; F248-L268 HydrophobicContact CB-CD2 4.33Å; F248-L268 HydrophobicContact CB-CG 4.45Å; F248-L268 HydrophobicContact CD1-CD1 4.23Å; F248-L268 HydrophobicContact CD1-CG 4.28Å; F248-L268 HydrophobicContact CD2-CD2 3.71Å; F248-L268 HydrophobicContact CD2-CG 4.26Å; F248-L268 HydrophobicContact CE2-CD2 4.13Å; F248-L268 HydrophobicContact CG-CD1 3.98Å; F248-L268 HydrophobicContact CG-CD2 3.97Å; F248-L268 HydrophobicContact CG-CG 4.08Å; G264-L268 WeakPolarHBondContact O-CG 3.44Å; G264-L268 PolarHBondContact O-N 3.31Å; L265-L268 PolarHBondContact O-N 3.15Å; R266-L268 PolarHBondContact O-N 3.27Å; L268-G272 PolarHBondContact O-N 3.09Å; L268-G272 VanDerWaalsContact O-N 3.11Å; L268-M277 HydrophobicContact CB-SD 3.94Å
269	V	89.7	Confident	85.9	Confident	47 Å²	47	74.3 Å²	74.3	29%	0.285	36%	0.356	S	S	.	.	H	α-helix	trans	-69.8	-40.8	177.2	172.6	0	0	0	0	110.8	L265 R266 E271 G273 L274 M277	L265-V269 HydrophobicContact CD1-CG2 4.12Å; L265-V269 VanDerWaalsContact O-CG2 3.29Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.31Å; R266-V269 PolarHBondContact O-N 3Å; V269-E271 VanDerWaalsContact C-N 3.34Å; V269-G273 WeakPolarHBondContact O-CA 3.44Å; V269-G273 PolarHBondContact O-N 2.59Å; V269-L274 HydrophobicContact CG1-CD2 4.13Å; V269-L274 HydrophobicContact CG2-CD2 4.45Å; V269-M277 HydrophobicContact CG2-CG 4.28Å; V269-M277 HydrophobicContact CG2-SD 3.95Å
270	L	89	Confident	86.3	Confident	132 Å²	132	74.5 Å²	74.5	69%	0.691	36%	0.36	S	S	*	.	H	α-helix	trans	-66.3	-35.5	175.4	-72	173.2	0	0	0	112.2	R266 M267	R266-L270 HydrophobicContact CG-CD1 3.84Å; R266-L270 HydrophobicContact CG-CG 4.28Å; R266-L270 WeakPolarHBondContact O-CB 3.34Å; R266-L270 VanDerWaalsContact O-CG 3.23Å; R266-L270 WeakPolarHBondContact O-CG 3.42Å; R266-L270 PolarHBondContact O-N 3.19Å; M267-L270 PolarHBondContact O-N 3.33Å
271	E	85.6	Confident	86.6	Confident	73 Å²	73	66.9 Å²	66.9	34%	0.341	33%	0.332	S	S	.	.	H	α-helix	trans	-77.6	-33.6	-178.1	-161	-156.3	132.9	0	0	113.8	M267 V269 R349 T350	M267-E271 WeakPolarHBondContact O-CB 3.46Å; M267-E271 PolarHBondContact O-N 3.5Å; V269-E271 VanDerWaalsContact C-N 3.34Å; E271-R349 WeakPolarHBondContact OE1-CA 3.44Å; E271-R349 WeakPolarHBondContact OE1-CB 3.36Å; E271-R349 VanDerWaalsContact OE1-CG 3.25Å; E271-R349 WeakPolarHBondContact OE1-CG 3.33Å; E271-T350 VanDerWaalsContact O-CB 3.23Å; E271-T350 WeakPolarHBondContact O-CB 3.29Å; E271-T350 PolarHBondContact O-OG1 3.29Å; E271-T350 PolarHBondContact OE1-N 2.82Å
272	G	78	Confident	86.7	Confident	19 Å²	19	67.8 Å²	67.8	20%	0.196	35%	0.349	C	S	.	.	H	α-helix	trans	-129.9	3.3	-171.5	0	0	0	0	0	115.9	L268 G276 T350	L268-G272 PolarHBondContact O-N 3.09Å; L268-G272 VanDerWaalsContact O-N 3.11Å; G272-G276 WeakPolarHBondContact O-CA 3.18Å; G272-G276 PolarHBondContact O-N 3.32Å; G272-G276 VanDerWaalsContact O-N 3.12Å; G272-T350 WeakPolarHBondContact CA-OG1 3.49Å
273	G	86.4	Confident	86.8	Confident	35 Å²	35	60.2 Å²	60.2	36%	0.361	32%	0.316	S	S	.	.	H	α-helix	trans	62.5	-175.1	-167.7	0	0	0	0	0	112.5	V269 K275 G276	V269-G273 WeakPolarHBondContact O-CA 3.44Å; V269-G273 PolarHBondContact O-N 2.59Å; G273-K275 VanDerWaalsContact C-N 3.33Å; G273-K275 PolarHBondContact O-N 2.96Å; G273-G276 PolarHBondContact O-N 2.85Å; G273-G276 VanDerWaalsContact O-N 3.14Å
274	L	86.4	Confident	86.8	Confident	129 Å²	129	57.8 Å²	57.8	68%	0.675	30%	0.299	S	S	*	.	H	α-helix	trans	-62.7	-39.5	177.7	-64.4	175.6	0	0	0	112.1	V269 G276 M277 W278	V269-L274 HydrophobicContact CG1-CD2 4.13Å; V269-L274 HydrophobicContact CG2-CD2 4.45Å; L274-G276 PolarHBondContact O-N 2.75Å; L274-M277 WeakPolarHBondContact O-CB 3.29Å; L274-M277 WeakPolarHBondContact O-CG 3.32Å; L274-M277 PolarHBondContact O-N 3.01Å; L274-W278 WeakPolarHBondContact O-CZ3 3.33Å
275	K	84.8	Confident	87	Confident	195 Å²	195	59.9 Å²	59.9	85%	0.848	31%	0.312	S	S	*	.	H	α-helix	trans	-61.1	-28	176.3	-69.1	-173.8	179.2	-179.4	0	112.5	G273 M277 W278	G273-K275 VanDerWaalsContact C-N 3.33Å; G273-K275 PolarHBondContact O-N 2.96Å; K275-M277 PolarHBondContact O-N 3.5Å; K275-W278 PolarHBondContact O-N 3.44Å
276	G	84.6	Confident	87	Confident	8 Å²	8	61.7 Å²	61.7	8%	0.082	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-29.5	175.3	0	0	0	0	0	113.1	R244 G272 G273 L274 W278 R279	R244-G276 WeakPolarHBondContact CD-O 3.44Å; R244-G276 PolarHBondContact NE-O 2.73Å; R244-G276 PolarHBondContact NH1-O 3.19Å; R244-G276 PolarHBondContact NH2-O 2.94Å; R244-G276 VanDerWaalsContact NH2-O 3.11Å; G272-G276 WeakPolarHBondContact O-CA 3.18Å; G272-G276 PolarHBondContact O-N 3.32Å; G272-G276 VanDerWaalsContact O-N 3.12Å; G273-G276 PolarHBondContact O-N 2.85Å; G273-G276 VanDerWaalsContact O-N 3.14Å; L274-G276 PolarHBondContact O-N 2.75Å; G276-W278 PolarHBondContact O-N 2.86Å; G276-W278 VanDerWaalsContact O-N 3.14Å; G276-R279 VanDerWaalsContact O-CB 3.27Å; G276-R279 WeakPolarHBondContact O-CB 3.46Å; G276-R279 PolarHBondContact O-N 3.4Å
277	M	88.8	Confident	86.9	Confident	8 Å²	8	53.3 Å²	53.3	4%	0.039	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.2	-176.8	-62.6	-60.1	-66.9	0	0	114	P241 V245 L265 L268 V269 L274 K275	P241-M277 HydrophobicContact CB-CB 4.08Å; P241-M277 HydrophobicContact CB-CE 3.7Å; P241-M277 HydrophobicContact CG-CB 4.2Å; P241-M277 WeakPolarHBondContact O-CE 3.15Å; V245-M277 HydrophobicContact CG2-CE 3.8Å; L265-M277 HydrophobicContact CD1-CE 3.38Å; L265-M277 HydrophobicContact CD1-SD 4.17Å; L268-M277 HydrophobicContact CB-SD 3.94Å; V269-M277 HydrophobicContact CG2-CG 4.28Å; V269-M277 HydrophobicContact CG2-SD 3.95Å; L274-M277 WeakPolarHBondContact O-CB 3.29Å; L274-M277 WeakPolarHBondContact O-CG 3.32Å; L274-M277 PolarHBondContact O-N 3.01Å; K275-M277 PolarHBondContact O-N 3.5Å
278	W	89.5	Confident	86.7	Confident	111 Å²	111	49.7 Å²	49.7	42%	0.42	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.2	176.4	-75.8	-92.8	0	0	0	114	T237 A240 P241 L274 K275 G276 G280 N281	T237-W278 PolarHBondContact O-NE1 3.09Å; A240-W278 HydrophobicContact CB-CG 4.36Å; P241-W278 HydrophobicContact CG-CH2 4.01Å; P241-W278 HydrophobicContact CG-CZ2 3.81Å; P241-W278 HydrophobicContact CG-CZ3 4.47Å; L274-W278 WeakPolarHBondContact O-CZ3 3.33Å; K275-W278 PolarHBondContact O-N 3.44Å; G276-W278 PolarHBondContact O-N 2.86Å; G276-W278 VanDerWaalsContact O-N 3.14Å; W278-G280 PolarHBondContact O-N 3.06Å; W278-N281 HydrophobicContact CB-CB 4.34Å; W278-N281 VanDerWaalsContact O-CB 3.24Å; W278-N281 WeakPolarHBondContact O-CB 3.12Å; W278-N281 PolarHBondContact O-N 3.41Å
279	R	84.9	Confident	86.4	Confident	51 Å²	51	51.7 Å²	51.7	19%	0.192	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	123.2	178.9	-172.2	178.2	-97.7	141.2	3.8	110.1	G276 L345 R348 R349 T350 N354	G276-R279 VanDerWaalsContact O-CB 3.27Å; G276-R279 WeakPolarHBondContact O-CB 3.46Å; G276-R279 PolarHBondContact O-N 3.4Å; R279-L345 WeakPolarHBondContact CD-O 3.16Å; R279-L345 VanDerWaalsContact CG-O 3.3Å; R279-L345 WeakPolarHBondContact CG-O 3.11Å; R279-R348 PolarHBondContact NH1-O 3.31Å; R279-R349 VanDerWaalsContact NH1-C 3.26Å; R279-R349 PolarHBondContact NH1-O 2.85Å; R279-T350 VanDerWaalsContact NH1-CA 3.34Å; R279-T350 VanDerWaalsContact NH1-N 3.19Å; R279-T350 PolarHBondContact NH1-OG1 3.17Å; R279-N354 PolarHBondContact NH2-OD1 3.17Å
280	G	85.2	Confident	86.3	Confident	14 Å²	14	51.8 Å²	51.8	14%	0.144	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-13.7	-176.1	0	0	0	0	0	114.3	W278 G282 V283 N284	W278-G280 PolarHBondContact O-N 3.06Å; G280-G282 PolarHBondContact O-N 2.95Å; G280-V283 PolarHBondContact O-N 3.46Å; G280-V283 VanDerWaalsContact O-N 3.09Å; G280-N284 PolarHBondContact O-N 2.8Å
281	N	88.2	Confident	86	Confident	18 Å²	18	46.4 Å²	46.4	10%	0.096	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-32.9	-179.7	-170.8	53.9	0	0	0	112.7	R236 T237 A240 W278 V283 N284 V285	R236-N281 PolarHBondContact O-OD1 3.05Å; T237-N281 PolarHBondContact OG1-ND2 3.31Å; A240-N281 HydrophobicContact CB-CB 3.98Å; W278-N281 HydrophobicContact CB-CB 4.34Å; W278-N281 VanDerWaalsContact O-CB 3.24Å; W278-N281 WeakPolarHBondContact O-CB 3.12Å; W278-N281 PolarHBondContact O-N 3.41Å; N281-V283 VanDerWaalsContact C-N 3.26Å; N281-V283 PolarHBondContact O-N 2.84Å; N281-N284 CarbonylContact O-C 3.56Å; N281-N284 WeakPolarHBondContact O-CA 3.31Å; N281-N284 VanDerWaalsContact O-CB 3.29Å; N281-N284 WeakPolarHBondContact O-CB 3.16Å; N281-N284 PolarHBondContact O-N 3.07Å; N281-V285 PolarHBondContact O-N 3.29Å
282	G	87.9	Confident	85.5	Confident	46 Å²	46	43.9 Å²	43.9	47%	0.474	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-37.5	175.5	0	0	0	0	0	113.3	G280 L286	G280-G282 PolarHBondContact O-N 2.95Å; G282-L286 WeakPolarHBondContact O-CB 3.49Å; G282-L286 PolarHBondContact O-N 2.93Å
283	V	88.7	Confident	85.7	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-72.9	-35.7	174.2	-176.9	0	0	0	0	111	G280 N281 V285 L286 K287 L338 L341 K342 L345 I357	G280-V283 PolarHBondContact O-N 3.46Å; G280-V283 VanDerWaalsContact O-N 3.09Å; N281-V283 VanDerWaalsContact C-N 3.26Å; N281-V283 PolarHBondContact O-N 2.84Å; V283-V285 VanDerWaalsContact C-N 3.33Å; V283-V285 PolarHBondContact O-N 3.07Å; V283-L286 PolarHBondContact O-N 2.82Å; V283-K287 PolarHBondContact O-N 2.72Å; V283-L338 HydrophobicContact CG1-CB 4.09Å; V283-L338 HydrophobicContact CG1-CD2 4.28Å; V283-L338 VanDerWaalsContact CG1-O 3.22Å; V283-L338 WeakPolarHBondContact CG1-O 3.23Å; V283-L341 HydrophobicContact CG2-CD2 4.26Å; V283-L341 HydrophobicContact CG2-CG 4.34Å; V283-K342 HydrophobicContact CB-CB 4.26Å; V283-K342 HydrophobicContact CG1-CB 4.03Å; V283-L345 HydrophobicContact CG2-CD1 3.6Å; V283-I357 HydrophobicContact CG2-CB 4.47Å; V283-I357 HydrophobicContact CG2-CD1 3.83Å; V283-I357 HydrophobicContact CG2-CG1 3.85Å; V283-I357 HydrophobicContact CG2-CG2 3.8Å
284	N	86.4	Confident	85.6	Confident	5 Å²	5	45 Å²	45	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-65.9	-33.4	178.3	-160.9	40.3	0	0	0	113	R236 G280 N281 K287 K342	R236-N284 WeakPolarHBondContact CB-ND2 3.27Å; R236-N284 WeakPolarHBondContact CD-ND2 3.36Å; R236-N284 WeakPolarHBondContact CD-O 3.18Å; R236-N284 PolarHBondContact NH1-O 3.42Å; G280-N284 PolarHBondContact O-N 2.8Å; N281-N284 CarbonylContact O-C 3.56Å; N281-N284 WeakPolarHBondContact O-CA 3.31Å; N281-N284 VanDerWaalsContact O-CB 3.29Å; N281-N284 WeakPolarHBondContact O-CB 3.16Å; N281-N284 PolarHBondContact O-N 3.07Å; N284-K287 WeakPolarHBondContact O-CG 3.38Å; N284-K342 HydrophobicContact CB-CD 4.07Å; N284-K342 HydrophobicContact CB-CG 4.41Å; N284-K342 WeakPolarHBondContact OD1-CD 3.25Å; N284-K342 VanDerWaalsContact OD1-CE 3.31Å; N284-K342 WeakPolarHBondContact OD1-CE 3.43Å; N284-K342 PolarHBondContact OD1-NZ 2.82Å
285	V	89.3	Confident	85.2	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-77.7	-46.2	172.4	173	0	0	0	0	110.4	S233 N281 V283 K287 I288	S233-V285 WeakPolarHBondContact OG-CG1 3.45Å; N281-V285 PolarHBondContact O-N 3.29Å; V283-V285 VanDerWaalsContact C-N 3.33Å; V283-V285 PolarHBondContact O-N 3.07Å; V285-K287 PolarHBondContact O-N 2.95Å; V285-K287 VanDerWaalsContact O-N 3.16Å; V285-I288 HydrophobicContact CG1-CD1 4.49Å; V285-I288 WeakPolarHBondContact O-CB 3.12Å; V285-I288 WeakPolarHBondContact O-CG1 3.23Å; V285-I288 PolarHBondContact O-N 3.3Å; V285-I288 VanDerWaalsContact O-N 3.09Å
286	L	89.5	Confident	84.8	Confident	90 Å²	90	33.1 Å²	33.1	47%	0.471	20%	0.195	S	C	.	.	H	α-helix	trans	-56.4	-33.5	179.6	-178.9	65.7	0	0	0	112.9	G282 V283 I288 P290	G282-L286 WeakPolarHBondContact O-CB 3.49Å; G282-L286 PolarHBondContact O-N 2.93Å; V283-L286 PolarHBondContact O-N 2.82Å; L286-I288 PolarHBondContact O-N 2.88Å; L286-P290 WeakPolarHBondContact O-CD 3.48Å; L286-P290 WeakPolarHBondContact O-CG 3.21Å
287	K	87.2	Confident	84.6	Confident	4 Å²	4	38 Å²	38	2%	0.017	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.3	-179.7	77.2	173.6	-169.5	98.5	0	114.1	D204 R236 V283 N284 V285 A289 P290 E291 I335 L338	D204-K287 IonicContact OD1-NZ 2.75Å; D204-K287 PolarHBondContact OD1-NZ 2.85Å; R236-K287 VanDerWaalsContact NH1-CG 3.3Å; V283-K287 PolarHBondContact O-N 2.72Å; N284-K287 WeakPolarHBondContact O-CG 3.38Å; V285-K287 PolarHBondContact O-N 2.95Å; V285-K287 VanDerWaalsContact O-N 3.16Å; K287-A289 PolarHBondContact O-N 3.26Å; K287-P290 WeakPolarHBondContact O-CD 3.39Å; K287-E291 IonicContact NZ-OE1 3.26Å; K287-E291 IonicContact NZ-OE2 3.73Å; K287-E291 PolarHBondContact NZ-OE2 3.37Å; K287-E291 WeakPolarHBondContact O-CB 3.26Å; K287-E291 PolarHBondContact O-N 3.37Å; K287-I335 HydrophobicContact CB-CG2 4.1Å; K287-I335 HydrophobicContact CD-CG2 4.43Å; K287-L338 HydrophobicContact CB-CB 4.47Å; K287-L338 HydrophobicContact CB-CD1 4.2Å
288	I	82.4	Confident	84.2	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-54	-170.7	-59.2	162.1	0	0	0	111.9	A229 S233 V285 L286 S292	A229-I288 HydrophobicContact CB-CG2 4.36Å; S233-I288 VanDerWaalsContact N-CD1 3.34Å; S233-I288 WeakPolarHBondContact OG-CD1 3.49Å; V285-I288 HydrophobicContact CG1-CD1 4.49Å; V285-I288 WeakPolarHBondContact O-CB 3.12Å; V285-I288 WeakPolarHBondContact O-CG1 3.23Å; V285-I288 PolarHBondContact O-N 3.3Å; V285-I288 VanDerWaalsContact O-N 3.09Å; L286-I288 PolarHBondContact O-N 2.88Å; I288-S292 WeakPolarHBondContact O-CB 3.32Å; I288-S292 PolarHBondContact O-N 3.22Å; I288-S292 PolarHBondContact O-OG 2.91Å
289	A	82.7	Confident	83.5	Confident	47 Å²	47	34 Å²	34	39%	0.388	20%	0.203	S	C	.	.	H	α-helix	trans	-69.2	-47.8	-174.3	0	0	0	0	0	112.4	K287 E291 S292 A293	K287-A289 PolarHBondContact O-N 3.26Å; A289-E291 VanDerWaalsContact C-N 3.34Å; A289-E291 PolarHBondContact O-N 2.83Å; A289-S292 PolarHBondContact O-N 2.92Å; A289-A293 VanDerWaalsContact O-CB 3.29Å; A289-A293 WeakPolarHBondContact O-CB 3.49Å; A289-A293 PolarHBondContact O-N 3.34Å
290	P	87.2	Confident	83.2	Confident	50 Å²	50	33.7 Å²	33.7	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-60.5	-39.4	173.9	-24.9	35.5	0	0	0	113.6	L286 K287 A293 I294 I335	L286-P290 WeakPolarHBondContact O-CD 3.48Å; L286-P290 WeakPolarHBondContact O-CG 3.21Å; K287-P290 WeakPolarHBondContact O-CD 3.39Å; P290-A293 PolarHBondContact O-N 2.91Å; P290-I294 WeakPolarHBondContact O-CB 3.43Å; P290-I294 WeakPolarHBondContact O-CD1 3.29Å; P290-I294 WeakPolarHBondContact O-CG1 3.45Å; P290-I294 PolarHBondContact O-N 3.38Å; P290-I335 HydrophobicContact CB-CD1 3.81Å
291	E	81.6	Confident	83.2	Confident	19 Å²	19	37.8 Å²	37.8	9%	0.089	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-49.1	177.5	-177.4	174.3	-174.5	0	0	111	R236 K287 A289 K295 I335	R236-E291 IonicContact NH2-OE2 3.7Å; K287-E291 IonicContact NZ-OE1 3.26Å; K287-E291 IonicContact NZ-OE2 3.73Å; K287-E291 PolarHBondContact NZ-OE2 3.37Å; K287-E291 WeakPolarHBondContact O-CB 3.26Å; K287-E291 PolarHBondContact O-N 3.37Å; A289-E291 VanDerWaalsContact C-N 3.34Å; A289-E291 PolarHBondContact O-N 2.83Å; E291-K295 VanDerWaalsContact O-CB 3.29Å; E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 PolarHBondContact O-N 3.03Å; E291-I335 HydrophobicContact CB-CD1 4.28Å; E291-I335 HydrophobicContact CB-CG1 3.98Å; E291-I335 HydrophobicContact CB-CG2 4.43Å; E291-I335 HydrophobicContact CG-CG1 4.38Å
292	S	77	Confident	82.6	Confident	19 Å²	19	37.3 Å²	37.3	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-44.5	177.8	-51.3	0	0	0	0	111.8	V207 I288 A289 K295 F296	V207-S292 WeakPolarHBondContact CG2-OG 3.48Å; I288-S292 WeakPolarHBondContact O-CB 3.32Å; I288-S292 PolarHBondContact O-N 3.22Å; I288-S292 PolarHBondContact O-OG 2.91Å; A289-S292 PolarHBondContact O-N 2.92Å; S292-K295 PolarHBondContact O-N 3.29Å; S292-F296 VanDerWaalsContact O-CB 3.24Å; S292-F296 WeakPolarHBondContact O-CB 3.2Å; S292-F296 PolarHBondContact O-N 2.92Å
293	A	82	Confident	81.9	Confident	47 Å²	47	36.1 Å²	36.1	39%	0.388	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-42.6	-179.7	0	0	0	0	0	112.6	A289 P290 M297	A289-A293 VanDerWaalsContact O-CB 3.29Å; A289-A293 WeakPolarHBondContact O-CB 3.49Å; A289-A293 PolarHBondContact O-N 3.34Å; P290-A293 PolarHBondContact O-N 2.91Å; A293-M297 VanDerWaalsContact O-CB 3.26Å; A293-M297 WeakPolarHBondContact O-CB 3.49Å; A293-M297 PolarHBondContact O-N 3.47Å
294	I	83.1	Confident	81.5	Confident	31 Å²	31	42 Å²	42	16%	0.159	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-46.5	177.7	-68	167.6	0	0	0	110.3	P290 F296 M297 V298 A331 L334 I335	P290-I294 WeakPolarHBondContact O-CB 3.43Å; P290-I294 WeakPolarHBondContact O-CD1 3.29Å; P290-I294 WeakPolarHBondContact O-CG1 3.45Å; P290-I294 PolarHBondContact O-N 3.38Å; I294-F296 VanDerWaalsContact C-N 3.29Å; I294-F296 PolarHBondContact O-N 2.87Å; I294-M297 PolarHBondContact O-N 3.45Å; I294-V298 HydrophobicContact CG2-CG2 4.03Å; I294-V298 WeakPolarHBondContact O-CB 3.26Å; I294-V298 VanDerWaalsContact O-CG2 3.23Å; I294-V298 WeakPolarHBondContact O-CG2 3.17Å; I294-V298 PolarHBondContact O-N 2.96Å; I294-A331 HydrophobicContact CB-CB 4.38Å; I294-A331 HydrophobicContact CG2-CB 3.91Å; I294-L334 HydrophobicContact CD1-CB 4.03Å; I294-L334 HydrophobicContact CD1-CD1 4.15Å; I294-L334 HydrophobicContact CG2-CD1 3.83Å; I294-I335 HydrophobicContact CD1-CD1 3.94Å; I294-I335 HydrophobicContact CD1-CG1 4.31Å
295	K	77.5	Confident	81.3	Confident	38 Å²	38	47.5 Å²	47.5	17%	0.165	25%	0.254	C	S	.	.	H	α-helix	trans	-55.7	-48.7	178.6	-175.3	177.3	-178.4	175.4	0	110.5	S205 E209 E291 S292 V298 Y299 A327 A331	S205-K295 PolarHBondContact OG-NZ 3.39Å; E209-K295 VanDerWaalsContact CD-CE 3.42Å; E209-K295 WeakPolarHBondContact OE1-CE 3.39Å; E209-K295 IonicContact OE1-NZ 3.23Å; E209-K295 PolarHBondContact OE1-NZ 3.38Å; E209-K295 IonicContact OE2-NZ 2.68Å; E291-K295 VanDerWaalsContact O-CB 3.29Å; E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 PolarHBondContact O-N 3.03Å; S292-K295 PolarHBondContact O-N 3.29Å; K295-V298 PolarHBondContact O-N 3.41Å; K295-Y299 WeakPolarHBondContact O-CB 3.19Å; K295-Y299 PolarHBondContact O-N 3.07Å; K295-A327 HydrophobicContact CG-CB 4.46Å; K295-A331 HydrophobicContact CB-CB 3.98Å
296	F	76.2	Confident	80.6	Confident	37 Å²	37	47.4 Å²	47.4	16%	0.162	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-50	176.9	-177.6	-105.6	0	0	0	113.2	F211 Y216 S292 I294 V298 Y299 E300	F211-F296 HydrophobicContact CD2-CD2 4.09Å; F211-F296 AromaticContact CD2-CE2 3.26Å; F211-F296 HydrophobicContact CD2-CE2 3.26Å; F211-F296 AromaticContact CD2-CZ 3.63Å; F211-F296 HydrophobicContact CD2-CZ 3.63Å; F211-F296 HydrophobicContact CE2-CD2 4.03Å; F211-F296 AromaticContact CE2-CE2 3.61Å; F211-F296 HydrophobicContact CE2-CE2 3.61Å; F211-F296 AromaticContact CE2-CZ 3.98Å; F211-F296 HydrophobicContact CE2-CZ 3.98Å; F211-F296 HydrophobicContact CG-CE2 4.39Å; Y216-F296 HydrophobicContact CE1-CE1 4.18Å; Y216-F296 HydrophobicContact CE1-CE2 4.41Å; Y216-F296 AromaticContact CE1-CZ 3.49Å; Y216-F296 HydrophobicContact CE1-CZ 3.49Å; Y216-F296 VanDerWaalsContact CE1-CZ 3.49Å; Y216-F296 HydrophobicContact CE2-CZ 4.32Å; Y216-F296 AromaticContact CZ-CE2 3.77Å; Y216-F296 AromaticContact CZ-CZ 3.27Å; Y216-F296 WeakPolarHBondContact OH-CE2 3.25Å; Y216-F296 WeakPolarHBondContact OH-CZ 3.5Å; S292-F296 VanDerWaalsContact O-CB 3.24Å; S292-F296 WeakPolarHBondContact O-CB 3.2Å; S292-F296 PolarHBondContact O-N 2.92Å; I294-F296 VanDerWaalsContact C-N 3.29Å; I294-F296 PolarHBondContact O-N 2.87Å; F296-V298 PolarHBondContact O-N 2.86Å; F296-Y299 PolarHBondContact O-N 3.31Å; F296-E300 HydrophobicContact CE1-CG 4.41Å; F296-E300 HydrophobicContact CE2-CG 4.46Å; F296-E300 HydrophobicContact CZ-CG 4.43Å; F296-E300 WeakPolarHBondContact O-CG 3.36Å; F296-E300 PolarHBondContact O-N 3.38Å
297	M	81.9	Confident	79.7	Confident	109 Å²	109	46.1 Å²	46.1	54%	0.537	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-45.7	178.4	-179	-177.6	69.2	0	0	111.7	A293 I294 Q301	A293-M297 VanDerWaalsContact O-CB 3.26Å; A293-M297 WeakPolarHBondContact O-CB 3.49Å; A293-M297 PolarHBondContact O-N 3.47Å; I294-M297 PolarHBondContact O-N 3.45Å; M297-Q301 WeakPolarHBondContact O-CB 3.31Å; M297-Q301 WeakPolarHBondContact O-CG 3.11Å; M297-Q301 PolarHBondContact O-N 2.94Å
298	V	80.7	Confident	78.8	Confident	18 Å²	18	56.2 Å²	56.2	11%	0.109	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-39.6	179.9	177.9	0	0	0	0	110.8	I294 K295 F296 Q301 A302 A327 I330	I294-V298 HydrophobicContact CG2-CG2 4.03Å; I294-V298 WeakPolarHBondContact O-CB 3.26Å; I294-V298 VanDerWaalsContact O-CG2 3.23Å; I294-V298 WeakPolarHBondContact O-CG2 3.17Å; I294-V298 PolarHBondContact O-N 2.96Å; K295-V298 PolarHBondContact O-N 3.41Å; F296-V298 PolarHBondContact O-N 2.86Å; V298-Q301 PolarHBondContact O-N 3.21Å; V298-A302 VanDerWaalsContact O-CB 3.26Å; V298-A302 WeakPolarHBondContact O-CB 3.09Å; V298-A302 PolarHBondContact O-N 3.4Å; V298-A327 HydrophobicContact CB-CB 4.09Å; V298-A327 HydrophobicContact CG1-CB 3.98Å; V298-I330 HydrophobicContact CG1-CB 4.14Å; V298-I330 HydrophobicContact CG1-CD1 3.71Å; V298-I330 HydrophobicContact CG1-CG1 4.43Å; V298-I330 HydrophobicContact CG1-CG2 4.4Å; V298-I330 HydrophobicContact CG2-CB 4.2Å; V298-I330 HydrophobicContact CG2-CG2 3.7Å
299	Y	74.9	Confident	77.9	Confident	18 Å²	18	62.4 Å²	62.4	7%	0.071	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-51.8	176	-174.9	-116.6	0	0	0	110.9	E210 K295 F296 Q301 A302 K303 A327	E210-Y299 HydrophobicContact CB-CE1 4.48Å; K295-Y299 WeakPolarHBondContact O-CB 3.19Å; K295-Y299 PolarHBondContact O-N 3.07Å; F296-Y299 PolarHBondContact O-N 3.31Å; Y299-Q301 VanDerWaalsContact C-N 3.33Å; Y299-Q301 PolarHBondContact O-N 2.83Å; Y299-A302 PolarHBondContact O-N 3.43Å; Y299-K303 HydrophobicContact CD1-CD 3.95Å; Y299-K303 HydrophobicContact CD1-CG 4.48Å; Y299-K303 HydrophobicContact CE1-CD 3.72Å; Y299-K303 HydrophobicContact CE1-CG 4.42Å; Y299-K303 WeakPolarHBondContact O-CB 3.31Å; Y299-K303 VanDerWaalsContact O-CG 3.25Å; Y299-K303 WeakPolarHBondContact O-CG 3.45Å; Y299-K303 PolarHBondContact O-N 3.45Å; Y299-K303 WeakPolarHBondContact OH-CE 3.37Å; Y299-K303 PolarHBondContact OH-NZ 3.38Å; Y299-A327 HydrophobicContact CD2-CB 4.43Å
300	E	78	Confident	76.8	Confident	44 Å²	44	61.7 Å²	61.7	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-57.9	-41.7	176.2	-77.4	-62.2	126.2	0	0	113	Y216 F296 K303 K304	Y216-E300 WeakPolarHBondContact OH-CG 3.36Å; Y216-E300 PolarHBondContact OH-OE1 3.04Å; F296-E300 HydrophobicContact CE1-CG 4.41Å; F296-E300 HydrophobicContact CE2-CG 4.46Å; F296-E300 HydrophobicContact CZ-CG 4.43Å; F296-E300 WeakPolarHBondContact O-CG 3.36Å; F296-E300 PolarHBondContact O-N 3.38Å; E300-K303 PolarHBondContact O-N 3.16Å; E300-K304 VanDerWaalsContact O-CG 3.32Å; E300-K304 WeakPolarHBondContact O-CG 3.14Å; E300-K304 PolarHBondContact O-N 2.85Å
301	Q	84.2	Confident	75.3	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-69.2	-40.7	177.7	-66.6	-66.4	95.8	0	0	112	M297 V298 Y299 K303 K304 L305	M297-Q301 WeakPolarHBondContact O-CB 3.31Å; M297-Q301 WeakPolarHBondContact O-CG 3.11Å; M297-Q301 PolarHBondContact O-N 2.94Å; V298-Q301 PolarHBondContact O-N 3.21Å; Y299-Q301 VanDerWaalsContact C-N 3.33Å; Y299-Q301 PolarHBondContact O-N 2.83Å; Q301-K303 VanDerWaalsContact C-N 3.34Å; Q301-K304 PolarHBondContact O-N 2.98Å; Q301-L305 WeakPolarHBondContact O-CB 3.3Å; Q301-L305 VanDerWaalsContact O-CG 3.29Å; Q301-L305 WeakPolarHBondContact O-CG 3.11Å; Q301-L305 PolarHBondContact O-N 3.37Å
302	A	76.4	Confident	74.2	Confident	8 Å²	8	74.7 Å²	74.7	7%	0.066	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-42.6	175	0	0	0	0	0	111	V298 Y299 L305 L306 L326	V298-A302 VanDerWaalsContact O-CB 3.26Å; V298-A302 WeakPolarHBondContact O-CB 3.09Å; V298-A302 PolarHBondContact O-N 3.4Å; Y299-A302 PolarHBondContact O-N 3.43Å; A302-L305 PolarHBondContact O-N 3.22Å; A302-L306 WeakPolarHBondContact O-CB 3.28Å; A302-L306 VanDerWaalsContact O-CG 3.28Å; A302-L306 WeakPolarHBondContact O-CG 3.32Å; A302-L306 PolarHBondContact O-N 2.94Å; A302-L326 HydrophobicContact CB-CD2 4.45Å
303	K	73.3	Confident	73.3	Confident	21 Å²	21	79 Å²	79	9%	0.091	38%	0.384	C	S	.	.	H	α-helix	trans	-57.3	-51	173.1	-71.3	-175.7	146.6	172.5	0	111.4	E210 Y299 E300 Q301 L305 L306 K307 L315	E210-K303 IonicContact OE1-NZ 2.82Å; E210-K303 PolarHBondContact OE1-NZ 3.49Å; Y299-K303 HydrophobicContact CD1-CD 3.95Å; Y299-K303 HydrophobicContact CD1-CG 4.48Å; Y299-K303 HydrophobicContact CE1-CD 3.72Å; Y299-K303 HydrophobicContact CE1-CG 4.42Å; Y299-K303 WeakPolarHBondContact O-CB 3.31Å; Y299-K303 VanDerWaalsContact O-CG 3.25Å; Y299-K303 WeakPolarHBondContact O-CG 3.45Å; Y299-K303 PolarHBondContact O-N 3.45Å; Y299-K303 WeakPolarHBondContact OH-CE 3.37Å; Y299-K303 PolarHBondContact OH-NZ 3.38Å; E300-K303 PolarHBondContact O-N 3.16Å; Q301-K303 VanDerWaalsContact C-N 3.34Å; K303-L305 VanDerWaalsContact C-N 3.33Å; K303-L305 PolarHBondContact O-N 3.01Å; K303-L306 PolarHBondContact O-N 3.5Å; K303-K307 WeakPolarHBondContact O-CB 3.41Å; K303-K307 WeakPolarHBondContact O-CG 3.49Å; K303-K307 PolarHBondContact O-N 3.47Å; K303-L315 HydrophobicContact CB-CD1 3.8Å; K303-L315 HydrophobicContact CD-CD1 4.12Å; K303-L315 HydrophobicContact CG-CD1 3.45Å; K303-L315 VanDerWaalsContact CG-CD1 3.45Å
304	K	80.2	Confident	72.2	Confident	124 Å²	124	79.5 Å²	79.5	54%	0.539	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-40.4	179.5	-73.7	172	-172.6	173.7	0	112.7	E300 Q301 R308	E300-K304 VanDerWaalsContact O-CG 3.32Å; E300-K304 WeakPolarHBondContact O-CG 3.14Å; E300-K304 PolarHBondContact O-N 2.85Å; Q301-K304 PolarHBondContact O-N 2.98Å; K304-R308 WeakPolarHBondContact O-CB 3.45Å; K304-R308 PolarHBondContact O-N 3.17Å; K304-R308 VanDerWaalsContact O-N 3.12Å
305	L	82.1	Confident	71.1	Confident	120 Å²	120	78.4 Å²	78.4	63%	0.628	37%	0.373	S	S	*	.	H	α-helix	trans	-66.5	-39.6	177.9	-73.1	171.2	0	0	0	112.3	Q301 A302 K303	Q301-L305 WeakPolarHBondContact O-CB 3.3Å; Q301-L305 VanDerWaalsContact O-CG 3.29Å; Q301-L305 WeakPolarHBondContact O-CG 3.11Å; Q301-L305 PolarHBondContact O-N 3.37Å; A302-L305 PolarHBondContact O-N 3.22Å; K303-L305 VanDerWaalsContact C-N 3.33Å; K303-L305 PolarHBondContact O-N 3.01Å
306	L	73.8	Confident	70.5	Confident	42 Å²	42	80.2 Å²	80.2	22%	0.22	39%	0.387	C	S	.	.	H	α-helix	trans	-73.9	-44.3	178.1	-69.6	167.1	0	0	0	111.4	A302 K303 R308 N309 S310 L315 E319	A302-L306 WeakPolarHBondContact O-CB 3.28Å; A302-L306 VanDerWaalsContact O-CG 3.28Å; A302-L306 WeakPolarHBondContact O-CG 3.32Å; A302-L306 PolarHBondContact O-N 2.94Å; K303-L306 PolarHBondContact O-N 3.5Å; L306-R308 PolarHBondContact O-N 3.5Å; L306-N309 PolarHBondContact O-N 3.09Å; L306-S310 PolarHBondContact O-N 3.27Å; L306-L315 HydrophobicContact CB-CD2 3.3Å; L306-L315 HydrophobicContact CD1-CD2 4.07Å; L306-L315 HydrophobicContact CG-CD2 4.32Å; L306-E319 HydrophobicContact CD1-CB 4.07Å; L306-E319 HydrophobicContact CD1-CG 4.37Å; L306-E319 HydrophobicContact CD2-CG 4.29Å
307	K	72.2	Confident	69.6	Low	64 Å²	64	82.6 Å²	82.6	28%	0.278	40%	0.4	S	S	.	.	H	α-helix	trans	-58.2	-31.8	175.1	-75.2	-169.4	179	-153.9	0	112.9	K303 N309 S310 N313 L315	K303-K307 WeakPolarHBondContact O-CB 3.41Å; K303-K307 WeakPolarHBondContact O-CG 3.49Å; K303-K307 PolarHBondContact O-N 3.47Å; K307-N309 PolarHBondContact O-N 3.34Å; K307-S310 PolarHBondContact O-N 2.97Å; K307-N313 WeakPolarHBondContact CD-O 3.32Å; K307-N313 WeakPolarHBondContact CE-O 3.24Å; K307-N313 PolarHBondContact NZ-O 3.17Å; K307-L315 HydrophobicContact CG-CD2 4.19Å; K307-L315 HydrophobicContact CG-CG 4.22Å
308	R	68.1	Low	68.6	Low	215 Å²	215	85.6 Å²	85.6	81%	0.811	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.2	176.6	-179.9	173.8	158.9	132.6	-1.4	113.3	K304 L306	K304-R308 WeakPolarHBondContact O-CB 3.45Å; K304-R308 PolarHBondContact O-N 3.17Å; K304-R308 VanDerWaalsContact O-N 3.12Å; L306-R308 PolarHBondContact O-N 3.5Å
309	N	62.9	Low	67.8	Low	138 Å²	138	86.7 Å²	86.7	74%	0.738	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-13.2	179.8	-69	-16.5	0	0	0	113.3	L306 K307	L306-N309 PolarHBondContact O-N 3.09Å; K307-N309 PolarHBondContact O-N 3.34Å
310	S	60.1	Low	67.4	Low	32 Å²	32	88.1 Å²	88.1	22%	0.224	42%	0.419	C	S	.	.			trans	-95.7	120.6	-178.8	-62.7	0	0	0	0	110.5	L306 K307 D312 N313	L306-S310 PolarHBondContact O-N 3.27Å; K307-S310 PolarHBondContact O-N 2.97Å; S310-D312 PolarHBondContact O-N 3.44Å; S310-N313 PolarHBondContact O-N 3.36Å
311	K	55.1	Low	66.7	Low	212 Å²	212	90.2 Å²	90.2	92%	0.922	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.2	178.4	-69	-175.7	177.3	-177.3	0	113.1
312	D	58.3	Low	65.8	Low	130 Å²	130	90.6 Å²	90.6	70%	0.695	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	9.6	-170.7	-58.6	-26	0	0	0	114.1	S310 E314	S310-D312 PolarHBondContact O-N 3.44Å; D312-E314 PolarHBondContact O-N 2.81Å
313	N	58.5	Low	65.5	Low	110 Å²	110	90.3 Å²	90.3	59%	0.588	43%	0.433	S	S	*	.	S	Bend	trans	55.4	9.3	176.7	-134	9	0	0	0	115.9	K307 S310	K307-N313 WeakPolarHBondContact CD-O 3.32Å; K307-N313 WeakPolarHBondContact CE-O 3.24Å; K307-N313 PolarHBondContact NZ-O 3.17Å; S310-N313 PolarHBondContact O-N 3.36Å
314	E	58.5	Low	65.2	Low	58 Å²	58	90 Å²	90	27%	0.271	44%	0.436	S	S	.	.	S	Bend	trans	-123.2	150.5	179.7	-71.9	-168.2	-174.6	0	0	111.6	R187 D312	R187-E314 VanDerWaalsContact CD-OE1 3.26Å; R187-E314 WeakPolarHBondContact CD-OE1 3.43Å; R187-E314 IonicContact CZ-OE1 3.13Å; R187-E314 IonicContact CZ-OE2 3.85Å; R187-E314 IonicContact NE-OE1 2.7Å; R187-E314 IonicContact NH1-OE1 3.91Å; R187-E314 PolarHBondContact NH1-OE1 3.44Å; R187-E314 IonicContact NH1-OE2 3.61Å; R187-E314 PolarHBondContact NH1-OE2 3.36Å; D312-E314 PolarHBondContact O-N 2.81Å
315	L	61.1	Low	64.7	Low	8 Å²	8	87.3 Å²	87.3	4%	0.042	43%	0.433	C	S	.	.			trans	-96.6	129	-177.6	-63.7	161.4	0	0	0	109.5	K303 L306 K307 E319 R320	K303-L315 HydrophobicContact CB-CD1 3.8Å; K303-L315 HydrophobicContact CD-CD1 4.12Å; K303-L315 HydrophobicContact CG-CD1 3.45Å; K303-L315 VanDerWaalsContact CG-CD1 3.45Å; L306-L315 HydrophobicContact CB-CD2 3.3Å; L306-L315 HydrophobicContact CD1-CD2 4.07Å; L306-L315 HydrophobicContact CG-CD2 4.32Å; K307-L315 HydrophobicContact CG-CD2 4.19Å; K307-L315 HydrophobicContact CG-CG 4.22Å; L315-E319 HydrophobicContact CB-CB 4.19Å; L315-E319 HydrophobicContact CD2-CB 4.16Å; L315-R320 HydrophobicContact CB-CG 3.7Å; L315-R320 HydrophobicContact CD1-CG 4.42Å; L315-R320 PolarHBondContact O-NH1 3.14Å
316	T	65	Low	64.3	Low	75 Å²	75	85.5 Å²	85.5	46%	0.46	42%	0.424	S	S	.	.			trans	-58.9	158.1	169.8	61.5	0	0	0	0	110.7	F318 E319 R320	T316-F318 PolarHBondContact O-N 2.86Å; T316-E319 PolarHBondContact N-OE2 2.7Å; T316-E319 WeakPolarHBondContact O-CB 3.2Å; T316-E319 PolarHBondContact O-N 2.67Å; T316-E319 VanDerWaalsContact O-N 3.07Å; T316-E319 WeakPolarHBondContact OG1-CB 3.26Å; T316-E319 WeakPolarHBondContact OG1-CG 3.4Å; T316-E319 PolarHBondContact OG1-N 3.02Å; T316-E319 PolarHBondContact OG1-OE2 3.11Å; T316-R320 PolarHBondContact O-N 3.07Å
317	M	57.2	Low	64.3	Low	88 Å²	88	83.6 Å²	83.6	43%	0.433	41%	0.414	S	S	.	.	H	α-helix	trans	-56.3	-41.6	178.5	-175.6	-178.8	-172	0	0	111.8	P147 R320 I321	P147-M317 HydrophobicContact CG-CB 3.95Å; M317-R320 PolarHBondContact O-N 2.89Å; M317-I321 HydrophobicContact CE-CD1 4.22Å; M317-I321 HydrophobicContact CG-CD1 3.96Å; M317-I321 VanDerWaalsContact O-CG1 3.31Å; M317-I321 WeakPolarHBondContact O-CG1 3.43Å; M317-I321 PolarHBondContact O-N 2.7Å
318	F	59.4	Low	64.3	Low	171 Å²	171	81.7 Å²	81.7	75%	0.75	41%	0.413	S	S	*	.	H	α-helix	trans	-63.8	-40.5	176.1	-70.2	-74.2	0	0	0	112.1	T316 I321 L322	T316-F318 PolarHBondContact O-N 2.86Å; F318-I321 PolarHBondContact O-N 3.44Å; F318-L322 WeakPolarHBondContact O-CB 3.49Å; F318-L322 PolarHBondContact O-N 3.43Å
319	E	65	Low	64.6	Low	41 Å²	41	74 Å²	74	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-66.3	-37.2	174.8	-76.7	169.9	150.9	0	0	112.8	L306 L315 T316 L322 S323	L306-E319 HydrophobicContact CD1-CB 4.07Å; L306-E319 HydrophobicContact CD1-CG 4.37Å; L306-E319 HydrophobicContact CD2-CG 4.29Å; L315-E319 HydrophobicContact CB-CB 4.19Å; L315-E319 HydrophobicContact CD2-CB 4.16Å; T316-E319 PolarHBondContact N-OE2 2.7Å; T316-E319 WeakPolarHBondContact O-CB 3.2Å; T316-E319 PolarHBondContact O-N 2.67Å; T316-E319 VanDerWaalsContact O-N 3.07Å; T316-E319 WeakPolarHBondContact OG1-CB 3.26Å; T316-E319 WeakPolarHBondContact OG1-CG 3.4Å; T316-E319 PolarHBondContact OG1-N 3.02Å; T316-E319 PolarHBondContact OG1-OE2 3.11Å; E319-L322 PolarHBondContact O-N 3.43Å; E319-S323 VanDerWaalsContact O-CB 3.24Å; E319-S323 WeakPolarHBondContact O-CB 3.23Å; E319-S323 PolarHBondContact O-N 2.83Å; E319-S323 PolarHBondContact O-OG 3.35Å
320	R	65.7	Low	65.5	Low	48 Å²	48	70.5 Å²	70.5	18%	0.181	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-45.9	173.2	-73.8	-178.2	166.3	133.1	-11.1	111.7	R194 L315 T316 M317 L322 S323 G324	R194-R320 VanDerWaalsContact CZ-CZ 3.49Å; R194-R320 VanDerWaalsContact CZ-NH1 3.29Å; R194-R320 VanDerWaalsContact NH2-CZ 3.27Å; L315-R320 HydrophobicContact CB-CG 3.7Å; L315-R320 HydrophobicContact CD1-CG 4.42Å; L315-R320 PolarHBondContact O-NH1 3.14Å; T316-R320 PolarHBondContact O-N 3.07Å; M317-R320 PolarHBondContact O-N 2.89Å; R320-L322 VanDerWaalsContact C-N 3.34Å; R320-S323 WeakPolarHBondContact CA-OG 3.21Å; R320-S323 PolarHBondContact O-N 3.47Å; R320-S323 PolarHBondContact O-OG 2.92Å; R320-G324 PolarHBondContact O-N 3.44Å
321	I	64.1	Low	66.5	Low	88 Å²	88	69.1 Å²	69.1	45%	0.451	36%	0.363	S	S	.	.	H	α-helix	trans	-63.1	-43.7	175.8	-69.4	167.9	0	0	0	110.1	M317 F318 S325	M317-I321 HydrophobicContact CE-CD1 4.22Å; M317-I321 HydrophobicContact CG-CD1 3.96Å; M317-I321 VanDerWaalsContact O-CG1 3.31Å; M317-I321 WeakPolarHBondContact O-CG1 3.43Å; M317-I321 PolarHBondContact O-N 2.7Å; F318-I321 PolarHBondContact O-N 3.44Å; I321-S325 WeakPolarHBondContact O-CB 3.24Å; I321-S325 PolarHBondContact O-N 2.92Å; I321-S325 PolarHBondContact O-OG 3.01Å
322	L	66	Low	67.8	Low	110 Å²	110	60.2 Å²	60.2	58%	0.576	33%	0.325	S	S	*	.	H	α-helix	trans	-65.4	-44.5	179.4	-176.6	62	0	0	0	111.3	F318 E319 R320 L326	F318-L322 WeakPolarHBondContact O-CB 3.49Å; F318-L322 PolarHBondContact O-N 3.43Å; E319-L322 PolarHBondContact O-N 3.43Å; R320-L322 VanDerWaalsContact C-N 3.34Å; L322-L326 WeakPolarHBondContact O-CB 3.29Å; L322-L326 PolarHBondContact O-N 2.9Å
323	S	68.7	Low	69	Low	1 Å²	1	56.4 Å²	56.4	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-66.4	-43.2	177.2	53.3	0	0	0	0	112.2	E319 R320 L326 A327	E319-S323 VanDerWaalsContact O-CB 3.24Å; E319-S323 WeakPolarHBondContact O-CB 3.23Å; E319-S323 PolarHBondContact O-N 2.83Å; E319-S323 PolarHBondContact O-OG 3.35Å; R320-S323 WeakPolarHBondContact CA-OG 3.21Å; R320-S323 PolarHBondContact O-N 3.47Å; R320-S323 PolarHBondContact O-OG 2.92Å; S323-L326 PolarHBondContact O-N 3.49Å; S323-A327 WeakPolarHBondContact O-CB 3.26Å; S323-A327 PolarHBondContact O-N 3.04Å
324	G	67.7	Low	70.5	Confident	15 Å²	15	55.9 Å²	55.9	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-63	-44.9	174.2	0	0	0	0	0	112.5	R320 L326 A327 G328	R320-G324 PolarHBondContact O-N 3.44Å; G324-L326 PolarHBondContact O-N 3.36Å; G324-A327 PolarHBondContact O-N 3.23Å; G324-G328 PolarHBondContact O-N 3.42Å
325	S	69.5	Low	71.9	Confident	67 Å²	67	53.3 Å²	53.3	47%	0.469	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-40.6	176.7	-60.8	0	0	0	0	112.1	I321 S329	I321-S325 WeakPolarHBondContact O-CB 3.24Å; I321-S325 PolarHBondContact O-N 2.92Å; I321-S325 PolarHBondContact O-OG 3.01Å; S325-S329 VanDerWaalsContact O-CB 3.26Å; S325-S329 WeakPolarHBondContact O-CB 3.18Å; S325-S329 PolarHBondContact O-N 3.02Å; S325-S329 PolarHBondContact O-OG 2.82Å
326	L	73.7	Confident	73.2	Confident	83 Å²	83	53 Å²	53	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-44.2	175.4	-177.7	65.6	0	0	0	110.8	A302 L322 S323 G324 S329 I330	A302-L326 HydrophobicContact CB-CD2 4.45Å; L322-L326 WeakPolarHBondContact O-CB 3.29Å; L322-L326 PolarHBondContact O-N 2.9Å; S323-L326 PolarHBondContact O-N 3.49Å; G324-L326 PolarHBondContact O-N 3.36Å; L326-S329 PolarHBondContact O-N 2.97Å; L326-I330 HydrophobicContact CD1-CD1 3.83Å; L326-I330 HydrophobicContact CD1-CG1 4.25Å; L326-I330 HydrophobicContact CG-CD1 3.85Å; L326-I330 WeakPolarHBondContact O-CB 3.36Å; L326-I330 WeakPolarHBondContact O-CG1 3.22Å; L326-I330 PolarHBondContact O-N 3.27Å
327	A	74	Confident	74.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-49.2	175.9	0	0	0	0	0	112	K295 V298 Y299 S323 G324 S329 I330 A331	K295-A327 HydrophobicContact CG-CB 4.46Å; V298-A327 HydrophobicContact CB-CB 4.09Å; V298-A327 HydrophobicContact CG1-CB 3.98Å; Y299-A327 HydrophobicContact CD2-CB 4.43Å; S323-A327 WeakPolarHBondContact O-CB 3.26Å; S323-A327 PolarHBondContact O-N 3.04Å; G324-A327 PolarHBondContact O-N 3.23Å; A327-S329 PolarHBondContact O-N 3.21Å; A327-I330 PolarHBondContact O-N 3Å; A327-A331 WeakPolarHBondContact O-CB 3.47Å; A327-A331 PolarHBondContact O-N 3.35Å
328	G	71.3	Confident	75.9	Confident	25 Å²	25	47.9 Å²	47.9	26%	0.258	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-43.9	174	0	0	0	0	0	112.3	G324 Q332	G324-G328 PolarHBondContact O-N 3.42Å; G328-Q332 WeakPolarHBondContact O-CB 3.31Å; G328-Q332 PolarHBondContact O-N 3.19Å
329	S	74.9	Confident	77.2	Confident	54 Å²	54	40.1 Å²	40.1	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-42.8	-179.9	-62.7	0	0	0	0	113	S325 L326 A327 T333	S325-S329 VanDerWaalsContact O-CB 3.26Å; S325-S329 WeakPolarHBondContact O-CB 3.18Å; S325-S329 PolarHBondContact O-N 3.02Å; S325-S329 PolarHBondContact O-OG 2.82Å; L326-S329 PolarHBondContact O-N 2.97Å; A327-S329 PolarHBondContact O-N 3.21Å; S329-T333 WeakPolarHBondContact O-CB 3.23Å; S329-T333 PolarHBondContact O-N 3.12Å; S329-T333 PolarHBondContact O-OG1 2.98Å
330	I	82.4	Confident	78.3	Confident	63 Å²	63	38.2 Å²	38.2	32%	0.323	22%	0.219	S	C	.	.	H	α-helix	trans	-69.5	-45.3	177.6	-68.4	173.4	0	0	0	110.2	V298 L326 A327 Q332 T333 L334	V298-I330 HydrophobicContact CG1-CB 4.14Å; V298-I330 HydrophobicContact CG1-CD1 3.71Å; V298-I330 HydrophobicContact CG1-CG1 4.43Å; V298-I330 HydrophobicContact CG1-CG2 4.4Å; V298-I330 HydrophobicContact CG2-CB 4.2Å; V298-I330 HydrophobicContact CG2-CG2 3.7Å; L326-I330 HydrophobicContact CD1-CD1 3.83Å; L326-I330 HydrophobicContact CD1-CG1 4.25Å; L326-I330 HydrophobicContact CG-CD1 3.85Å; L326-I330 WeakPolarHBondContact O-CB 3.36Å; L326-I330 WeakPolarHBondContact O-CG1 3.22Å; L326-I330 PolarHBondContact O-N 3.27Å; A327-I330 PolarHBondContact O-N 3Å; I330-Q332 VanDerWaalsContact C-N 3.33Å; I330-Q332 PolarHBondContact O-N 3.41Å; I330-T333 PolarHBondContact O-N 3.37Å; I330-L334 HydrophobicContact CG2-CD1 4.1Å; I330-L334 WeakPolarHBondContact O-CG 3.38Å; I330-L334 PolarHBondContact O-N 2.99Å
331	A	80.9	Confident	79.4	Confident	4 Å²	4	36 Å²	36	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-48.2	175	0	0	0	0	0	111	I294 K295 A327 T333 L334 I335	I294-A331 HydrophobicContact CB-CB 4.38Å; I294-A331 HydrophobicContact CG2-CB 3.91Å; K295-A331 HydrophobicContact CB-CB 3.98Å; A327-A331 WeakPolarHBondContact O-CB 3.47Å; A327-A331 PolarHBondContact O-N 3.35Å; A331-T333 VanDerWaalsContact C-N 3.32Å; A331-T333 PolarHBondContact O-N 3.49Å; A331-L334 PolarHBondContact O-N 3.21Å; A331-I335 WeakPolarHBondContact O-CB 3.3Å; A331-I335 VanDerWaalsContact O-CG1 3.27Å; A331-I335 WeakPolarHBondContact O-CG1 3.19Å; A331-I335 PolarHBondContact O-N 3.35Å
332	Q	81.2	Confident	80.6	Confident	24 Å²	24	33.3 Å²	33.3	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-44.7	176.5	-168.6	66.9	17.3	0	0	111.1	G328 I330 L334 I335 Y336 E339 F377 N380	G328-Q332 WeakPolarHBondContact O-CB 3.31Å; G328-Q332 PolarHBondContact O-N 3.19Å; I330-Q332 VanDerWaalsContact C-N 3.33Å; I330-Q332 PolarHBondContact O-N 3.41Å; Q332-L334 PolarHBondContact O-N 3.33Å; Q332-I335 PolarHBondContact O-N 2.96Å; Q332-Y336 WeakPolarHBondContact O-CA 3.44Å; Q332-Y336 WeakPolarHBondContact O-CB 3.48Å; Q332-Y336 PolarHBondContact O-N 3.46Å; Q332-E339 PolarHBondContact NE2-OE1 3.3Å; Q332-E339 PolarHBondContact NE2-OE2 2.89Å; Q332-F377 HydrophobicContact CG-CE2 4.49Å; Q332-N380 WeakPolarHBondContact CG-ND2 3.14Å; Q332-N380 PolarHBondContact NE2-ND2 3.26Å
333	T	85.4	Confident	81.6	Confident	50 Å²	50	28.5 Å²	28.5	31%	0.307	17%	0.171	S	C	.	.	H	α-helix	trans	-60.5	-43.6	180	-58.5	0	0	0	0	112	S329 I330 A331 Y374 F377	S329-T333 WeakPolarHBondContact O-CB 3.23Å; S329-T333 PolarHBondContact O-N 3.12Å; S329-T333 PolarHBondContact O-OG1 2.98Å; I330-T333 PolarHBondContact O-N 3.37Å; A331-T333 VanDerWaalsContact C-N 3.32Å; A331-T333 PolarHBondContact O-N 3.49Å; T333-Y374 HydrophobicContact CG2-CE1 4.18Å; T333-Y374 WeakPolarHBondContact O-CE1 3.42Å; T333-Y374 PolarHBondContact O-OH 2.82Å; T333-F377 WeakPolarHBondContact OG1-CZ 3.37Å
334	L	89.4	Confident	82.5	Confident	99 Å²	99	29.2 Å²	29.2	52%	0.518	17%	0.174	S	C	.	.	H	α-helix	trans	-73.8	-34.2	-179.4	-68.2	175.7	0	0	0	112.9	I294 I330 A331 Q332 P337	I294-L334 HydrophobicContact CD1-CB 4.03Å; I294-L334 HydrophobicContact CD1-CD1 4.15Å; I294-L334 HydrophobicContact CG2-CD1 3.83Å; I330-L334 HydrophobicContact CG2-CD1 4.1Å; I330-L334 WeakPolarHBondContact O-CG 3.38Å; I330-L334 PolarHBondContact O-N 2.99Å; A331-L334 PolarHBondContact O-N 3.21Å; Q332-L334 PolarHBondContact O-N 3.33Å; L334-P337 WeakPolarHBondContact O-CD 3.45Å
335	I	88.3	Confident	83.4	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-86	-21.4	-178.8	-62.9	-62.6	0	0	0	112.6	K287 P290 E291 I294 A331 Q332 P337 L338 E339	K287-I335 HydrophobicContact CB-CG2 4.1Å; K287-I335 HydrophobicContact CD-CG2 4.43Å; P290-I335 HydrophobicContact CB-CD1 3.81Å; E291-I335 HydrophobicContact CB-CD1 4.28Å; E291-I335 HydrophobicContact CB-CG1 3.98Å; E291-I335 HydrophobicContact CB-CG2 4.43Å; E291-I335 HydrophobicContact CG-CG1 4.38Å; I294-I335 HydrophobicContact CD1-CD1 3.94Å; I294-I335 HydrophobicContact CD1-CG1 4.31Å; A331-I335 WeakPolarHBondContact O-CB 3.3Å; A331-I335 VanDerWaalsContact O-CG1 3.27Å; A331-I335 WeakPolarHBondContact O-CG1 3.19Å; A331-I335 PolarHBondContact O-N 3.35Å; Q332-I335 PolarHBondContact O-N 2.96Å; I335-P337 VanDerWaalsContact C-N 3.3Å; I335-P337 VanDerWaalsContact O-N 3.09Å; I335-L338 HydrophobicContact CD1-CD1 4.48Å; I335-L338 WeakPolarHBondContact O-CB 3.35Å; I335-L338 PolarHBondContact O-N 2.91Å; I335-E339 HydrophobicContact CG2-CG 4.38Å; I335-E339 PolarHBondContact O-N 3.26Å
336	Y	87.4	Confident	84.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-48.5	-40	-176.7	-158.5	-99.3	0	0	0	114.6	Q332 L338 E339 V340 F373 Y374 R375 G376 F377 N380 Q444	Q332-Y336 WeakPolarHBondContact O-CA 3.44Å; Q332-Y336 WeakPolarHBondContact O-CB 3.48Å; Q332-Y336 PolarHBondContact O-N 3.46Å; Y336-L338 VanDerWaalsContact C-N 3.28Å; Y336-L338 PolarHBondContact O-N 3.41Å; Y336-E339 WeakPolarHBondContact CD2-OE2 2.97Å; Y336-E339 WeakPolarHBondContact CE2-OE2 3.19Å; Y336-E339 WeakPolarHBondContact O-CB 2.98Å; Y336-E339 PolarHBondContact O-N 2.84Å; Y336-V340 HydrophobicContact CD1-CG2 3.94Å; Y336-V340 HydrophobicContact CE1-CG2 3.53Å; Y336-V340 PolarHBondContact O-N 3.2Å; Y336-F373 WeakPolarHBondContact CD1-O 3.44Å; Y336-F373 WeakPolarHBondContact CE1-O 3.38Å; Y336-Y374 HydrophobicContact CD1-CD1 4.16Å; Y336-R375 WeakPolarHBondContact CE1-O 3.47Å; Y336-R375 PolarHBondContact OH-O 3Å; Y336-G376 VanDerWaalsContact OH-CA 3.28Å; Y336-G376 WeakPolarHBondContact OH-CA 3.45Å; Y336-G376 PolarHBondContact OH-O 2.92Å; Y336-F377 HydrophobicContact CD1-CB 4.34Å; Y336-F377 HydrophobicContact CD1-CD2 4.17Å; Y336-F377 AromaticContact CD2-CD2 3.7Å; Y336-F377 HydrophobicContact CD2-CD2 3.7Å; Y336-F377 HydrophobicContact CD2-CE2 4.42Å; Y336-F377 HydrophobicContact CE1-CB 4Å; Y336-F377 HydrophobicContact CE2-CB 4.36Å; Y336-F377 HydrophobicContact CE2-CD2 4.05Å; Y336-F377 AromaticContact CG-CD2 3.79Å; Y336-F377 HydrophobicContact CG-CD2 3.79Å; Y336-F377 PolarHBondContact OH-N 3.39Å; Y336-F377 VanDerWaalsContact OH-N 3.14Å; Y336-N380 HydrophobicContact CE2-CB 4.18Å; Y336-Q444 PolarHBondContact OH-NE2 3.34Å
337	P	90.6	Very high	84.7	Confident	21 Å²	21	24.2 Å²	24.2	14%	0.136	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-36.7	174.7	-27.4	37.1	0	0	0	114.5	L334 I335 L341 F373 Y374	L334-P337 WeakPolarHBondContact O-CD 3.45Å; I335-P337 VanDerWaalsContact C-N 3.3Å; I335-P337 VanDerWaalsContact O-N 3.09Å; P337-L341 WeakPolarHBondContact O-CB 3.47Å; P337-L341 PolarHBondContact O-N 3.01Å; P337-F373 HydrophobicContact CB-CB 3.91Å; P337-F373 HydrophobicContact CB-CD1 3.94Å; P337-F373 HydrophobicContact CB-CG 4.16Å; P337-F373 HydrophobicContact CG-CB 4.21Å; P337-Y374 HydrophobicContact CG-CE2 4.24Å
338	L	89.3	Confident	85	Confident	36 Å²	36	26.4 Å²	26.4	19%	0.188	15%	0.147	C	C	.	.	H	α-helix	trans	-70	-34.1	175.4	-66.7	177.3	0	0	0	111.4	V283 K287 I335 Y336 L341 K342	V283-L338 HydrophobicContact CG1-CB 4.09Å; V283-L338 HydrophobicContact CG1-CD2 4.28Å; V283-L338 VanDerWaalsContact CG1-O 3.22Å; V283-L338 WeakPolarHBondContact CG1-O 3.23Å; K287-L338 HydrophobicContact CB-CB 4.47Å; K287-L338 HydrophobicContact CB-CD1 4.2Å; I335-L338 HydrophobicContact CD1-CD1 4.48Å; I335-L338 WeakPolarHBondContact O-CB 3.35Å; I335-L338 PolarHBondContact O-N 2.91Å; Y336-L338 VanDerWaalsContact C-N 3.28Å; Y336-L338 PolarHBondContact O-N 3.41Å; L338-L341 PolarHBondContact O-N 2.8Å; L338-K342 WeakPolarHBondContact O-CB 3.44Å; L338-K342 PolarHBondContact O-N 2.87Å
339	E	85.5	Confident	85	Confident	8 Å²	8	32.8 Å²	32.8	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-44.6	174.9	-56.2	-172.9	127.1	0	0	111.8	Q332 I335 Y336 L341 K342 T343 R440	Q332-E339 PolarHBondContact NE2-OE1 3.3Å; Q332-E339 PolarHBondContact NE2-OE2 2.89Å; I335-E339 HydrophobicContact CG2-CG 4.38Å; I335-E339 PolarHBondContact O-N 3.26Å; Y336-E339 WeakPolarHBondContact CD2-OE2 2.97Å; Y336-E339 WeakPolarHBondContact CE2-OE2 3.19Å; Y336-E339 WeakPolarHBondContact O-CB 2.98Å; Y336-E339 PolarHBondContact O-N 2.84Å; E339-L341 VanDerWaalsContact C-N 3.3Å; E339-L341 PolarHBondContact O-N 3.03Å; E339-K342 WeakPolarHBondContact O-CB 3.4Å; E339-K342 PolarHBondContact O-N 3.06Å; E339-T343 PolarHBondContact O-N 3.47Å; E339-T343 PolarHBondContact O-OG1 2.86Å; E339-R440 IonicContact OE1-CZ 2.68Å; E339-R440 IonicContact OE1-NH2 2.98Å; E339-R440 PolarHBondContact OE1-NH2 3.31Å; E339-R440 IonicContact OE2-CZ 3.69Å; E339-R440 IonicContact OE2-NH2 3.29Å; E339-R440 PolarHBondContact OE2-NH2 2.87Å
340	V	87.9	Confident	84.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-41.1	175.3	180	0	0	0	0	110.8	Y336 T343 R344 F373 Q444	Y336-V340 HydrophobicContact CD1-CG2 3.94Å; Y336-V340 HydrophobicContact CE1-CG2 3.53Å; Y336-V340 PolarHBondContact O-N 3.2Å; V340-T343 PolarHBondContact O-N 3.49Å; V340-R344 HydrophobicContact CG1-CG 4.4Å; V340-R344 WeakPolarHBondContact O-CB 3.5Å; V340-R344 WeakPolarHBondContact O-CG 3.47Å; V340-R344 PolarHBondContact O-N 3.47Å; V340-F373 WeakPolarHBondContact CG2-O 3.3Å; V340-Q444 HydrophobicContact CG2-CG 3.97Å
341	L	89.4	Confident	83.4	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-43.9	176.5	-175.1	61.6	0	0	0	111.6	V283 P337 L338 E339 R344 L345 I357 A360 F361 I364	V283-L341 HydrophobicContact CG2-CD2 4.26Å; V283-L341 HydrophobicContact CG2-CG 4.34Å; P337-L341 WeakPolarHBondContact O-CB 3.47Å; P337-L341 PolarHBondContact O-N 3.01Å; L338-L341 PolarHBondContact O-N 2.8Å; E339-L341 VanDerWaalsContact C-N 3.3Å; E339-L341 PolarHBondContact O-N 3.03Å; L341-R344 PolarHBondContact O-N 2.82Å; L341-L345 HydrophobicContact CD1-CD1 4.16Å; L341-L345 HydrophobicContact CD1-CG 4.23Å; L341-L345 HydrophobicContact CG-CD1 3.96Å; L341-L345 HydrophobicContact CG-CG 4.43Å; L341-L345 WeakPolarHBondContact O-CB 3.45Å; L341-L345 VanDerWaalsContact O-CG 3.24Å; L341-L345 WeakPolarHBondContact O-CG 3.48Å; L341-L345 PolarHBondContact O-N 2.87Å; L341-I357 HydrophobicContact CD2-CG2 3.56Å; L341-A360 HydrophobicContact CD1-CB 3.95Å; L341-F361 HydrophobicContact CD2-CB 4.26Å; L341-F361 HydrophobicContact CD2-CD2 4.33Å; L341-I364 HydrophobicContact CD1-CD1 3.75Å
342	K	88.9	Confident	82.5	Confident	32 Å²	32	38.4 Å²	38.4	14%	0.139	20%	0.202	C	C	.	.	H	α-helix	trans	-55.5	-55.1	173.9	173.9	-162.2	169.4	178.8	0	110.6	D243 V283 N284 L338 E339 R344 L345 A346	D243-K342 IonicContact OD1-NZ 3.56Å; D243-K342 WeakPolarHBondContact OD2-CE 3.27Å; D243-K342 IonicContact OD2-NZ 3.55Å; D243-K342 PolarHBondContact OD2-NZ 3.3Å; V283-K342 HydrophobicContact CB-CB 4.26Å; V283-K342 HydrophobicContact CG1-CB 4.03Å; N284-K342 HydrophobicContact CB-CD 4.07Å; N284-K342 HydrophobicContact CB-CG 4.41Å; N284-K342 WeakPolarHBondContact OD1-CD 3.25Å; N284-K342 VanDerWaalsContact OD1-CE 3.31Å; N284-K342 WeakPolarHBondContact OD1-CE 3.43Å; N284-K342 PolarHBondContact OD1-NZ 2.82Å; L338-K342 WeakPolarHBondContact O-CB 3.44Å; L338-K342 PolarHBondContact O-N 2.87Å; E339-K342 WeakPolarHBondContact O-CB 3.4Å; E339-K342 PolarHBondContact O-N 3.06Å; K342-R344 VanDerWaalsContact C-N 3.33Å; K342-R344 PolarHBondContact O-N 3.15Å; K342-L345 PolarHBondContact O-N 3.41Å; K342-A346 WeakPolarHBondContact O-CB 3.49Å; K342-A346 PolarHBondContact O-N 2.69Å
343	T	87.8	Confident	81.1	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-44.2	-177.5	-62.1	0	0	0	0	111.6	V247 E339 V340 A346 L347 T441 Q444	V247-T343 HydrophobicContact CG1-CG2 3.98Å; E339-T343 PolarHBondContact O-N 3.47Å; E339-T343 PolarHBondContact O-OG1 2.86Å; V340-T343 PolarHBondContact O-N 3.49Å; T343-A346 PolarHBondContact O-N 2.92Å; T343-L347 HydrophobicContact CG2-CD1 4.07Å; T343-L347 WeakPolarHBondContact O-CD1 3.35Å; T343-L347 WeakPolarHBondContact O-CG 3.33Å; T343-L347 PolarHBondContact O-N 3.39Å; T343-T441 HydrophobicContact CG2-CG2 3.95Å; T343-Q444 HydrophobicContact CG2-CB 3.87Å; T343-Q444 PolarHBondContact OG1-OE1 2.85Å
344	R	87.4	Confident	79.7	Confident	16 Å²	16	43.9 Å²	43.9	6%	0.06	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-39.3	178	-72.3	179.9	173.4	-145.3	0.9	113	V340 L341 K342 R348 E368 Q444 R446	V340-R344 HydrophobicContact CG1-CG 4.4Å; V340-R344 WeakPolarHBondContact O-CB 3.5Å; V340-R344 WeakPolarHBondContact O-CG 3.47Å; V340-R344 PolarHBondContact O-N 3.47Å; L341-R344 PolarHBondContact O-N 2.82Å; K342-R344 VanDerWaalsContact C-N 3.33Å; K342-R344 PolarHBondContact O-N 3.15Å; R344-R348 VanDerWaalsContact O-CG 3.31Å; R344-R348 WeakPolarHBondContact O-CG 3.08Å; R344-R348 PolarHBondContact O-N 3.27Å; R344-E368 IonicContact CZ-OE1 3.92Å; R344-E368 IonicContact CZ-OE2 2.79Å; R344-E368 IonicContact NH1-OE1 3.58Å; R344-E368 PolarHBondContact NH1-OE1 3.3Å; R344-E368 IonicContact NH1-OE2 3.04Å; R344-E368 PolarHBondContact NH1-OE2 3.4Å; R344-E368 IonicContact NH2-OE1 2.79Å; R344-E368 IonicContact NH2-OE2 3.84Å; R344-E368 PolarHBondContact NH2-OE2 2.85Å; R344-Q444 WeakPolarHBondContact CG-O 3Å; R344-Q444 PolarHBondContact NE-O 3.35Å; R344-Q444 VanDerWaalsContact NE-O 3.08Å; R344-R446 PolarHBondContact NH2-O 3.37Å
345	L	86.7	Confident	78.5	Confident	22 Å²	22	47.6 Å²	47.6	12%	0.115	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-40.3	175.9	-73.8	174.1	0	0	0	111.6	R279 V283 L341 K342 L347 R348 A360	R279-L345 WeakPolarHBondContact CD-O 3.16Å; R279-L345 VanDerWaalsContact CG-O 3.3Å; R279-L345 WeakPolarHBondContact CG-O 3.11Å; V283-L345 HydrophobicContact CG2-CD1 3.6Å; L341-L345 HydrophobicContact CD1-CD1 4.16Å; L341-L345 HydrophobicContact CD1-CG 4.23Å; L341-L345 HydrophobicContact CG-CD1 3.96Å; L341-L345 HydrophobicContact CG-CG 4.43Å; L341-L345 WeakPolarHBondContact O-CB 3.45Å; L341-L345 VanDerWaalsContact O-CG 3.24Å; L341-L345 WeakPolarHBondContact O-CG 3.48Å; L341-L345 PolarHBondContact O-N 2.87Å; K342-L345 PolarHBondContact O-N 3.41Å; L345-L347 PolarHBondContact O-N 3.34Å; L345-R348 PolarHBondContact O-N 2.77Å; L345-A360 HydrophobicContact CD2-CB 3.83Å
346	A	86	Confident	77.9	Confident	8 Å²	8	49.9 Å²	49.9	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-35.4	178.8	0	0	0	0	0	112.6	R244 V247 K342 T343	R244-A346 PolarHBondContact NE-O 2.97Å; V247-A346 HydrophobicContact CG1-CB 4.33Å; K342-A346 WeakPolarHBondContact O-CB 3.49Å; K342-A346 PolarHBondContact O-N 2.69Å; T343-A346 PolarHBondContact O-N 2.92Å
347	L	84.1	Confident	77.8	Confident	29 Å²	29	52.8 Å²	52.8	15%	0.152	28%	0.276	C	S	.	.	H	α-helix	trans	-86.7	-12.2	-178.7	-67.3	164.9	0	0	0	115	V247 V251 T343 L345 A445	V247-L347 HydrophobicContact CG1-CD1 3.92Å; V247-L347 HydrophobicContact CG1-CD2 3.77Å; V247-L347 HydrophobicContact CG1-CG 3.64Å; V251-L347 HydrophobicContact CB-CD1 4.33Å; V251-L347 HydrophobicContact CB-CD2 3.95Å; V251-L347 HydrophobicContact CG1-CD1 4.34Å; V251-L347 HydrophobicContact CG1-CD2 4.35Å; V251-L347 HydrophobicContact CG2-CD1 3.76Å; V251-L347 HydrophobicContact CG2-CD2 4.05Å; T343-L347 HydrophobicContact CG2-CD1 4.07Å; T343-L347 WeakPolarHBondContact O-CD1 3.35Å; T343-L347 WeakPolarHBondContact O-CG 3.33Å; T343-L347 PolarHBondContact O-N 3.39Å; L345-L347 PolarHBondContact O-N 3.34Å; L347-A445 HydrophobicContact CD1-CB 3.3Å
348	R	79.9	Confident	77.5	Confident	48 Å²	48	58.9 Å²	58.9	18%	0.181	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-71.2	138.3	-176	-90.5	172.5	171.5	-152.4	-8	112.2	R279 R344 L345 E363	R279-R348 PolarHBondContact NH1-O 3.31Å; R344-R348 VanDerWaalsContact O-CG 3.31Å; R344-R348 WeakPolarHBondContact O-CG 3.08Å; R344-R348 PolarHBondContact O-N 3.27Å; L345-R348 PolarHBondContact O-N 2.77Å; R348-E363 IonicContact CZ-OE2 2.71Å; R348-E363 IonicContact NH1-OE2 2.74Å; R348-E363 PolarHBondContact NH1-OE2 2.83Å; R348-E363 VanDerWaalsContact NH1-OE2 3.13Å; R348-E363 IonicContact NH2-OE1 3.92Å; R348-E363 IonicContact NH2-OE2 3.8Å; R348-E363 PolarHBondContact NH2-OE2 2.83Å
349	R	71.2	Confident	77.3	Confident	158 Å²	158	62.7 Å²	62.7	60%	0.596	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-71.2	153.9	179.6	-67.4	-167.1	-179.8	166	0.5	113.2	E271 R279 G351 Q352	E271-R349 WeakPolarHBondContact OE1-CA 3.44Å; E271-R349 WeakPolarHBondContact OE1-CB 3.36Å; E271-R349 VanDerWaalsContact OE1-CG 3.25Å; E271-R349 WeakPolarHBondContact OE1-CG 3.33Å; R279-R349 VanDerWaalsContact NH1-C 3.26Å; R279-R349 PolarHBondContact NH1-O 2.85Å; R349-G351 PolarHBondContact O-N 2.87Å; R349-Q352 HydrophobicContact CB-CG 4.17Å; R349-Q352 PolarHBondContact O-N 3.16Å
350	T	62.1	Low	77.3	Confident	66 Å²	66	62.5 Å²	62.5	41%	0.405	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	128.7	175.4	-55.1	0	0	0	0	110.8	E271 G272 R279	E271-T350 VanDerWaalsContact O-CB 3.23Å; E271-T350 WeakPolarHBondContact O-CB 3.29Å; E271-T350 PolarHBondContact O-OG1 3.29Å; E271-T350 PolarHBondContact OE1-N 2.82Å; G272-T350 WeakPolarHBondContact CA-OG1 3.49Å; R279-T350 VanDerWaalsContact NH1-CA 3.34Å; R279-T350 VanDerWaalsContact NH1-N 3.19Å; R279-T350 PolarHBondContact NH1-OG1 3.17Å
351	G	61.6	Low	77.3	Confident	58 Å²	58	66.3 Å²	66.3	60%	0.598	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-15.6	-177.2	0	0	0	0	0	115.5	R349 M353	R349-G351 PolarHBondContact O-N 2.87Å; G351-M353 PolarHBondContact O-N 3.44Å
352	Q	62.2	Low	77.2	Confident	116 Å²	116	73.8 Å²	73.8	54%	0.542	36%	0.362	S	S	.	.	S	Bend	trans	-72.3	-30.9	-172.9	-78.7	-176.2	-24.7	0	0	115	R349	R349-Q352 HydrophobicContact CB-CG 4.17Å; R349-Q352 PolarHBondContact O-N 3.16Å
353	M	52.1	Low	77	Confident	65 Å²	65	73.4 Å²	73.4	32%	0.32	36%	0.361	S	S	.	.			trans	-167.1	93.7	169	-80.6	-137.2	174	0	0	111.6	G351 R355 E363	G351-M353 PolarHBondContact O-N 3.44Å; M353-R355 VanDerWaalsContact C-N 3.3Å; M353-R355 PolarHBondContact O-N 2.76Å; M353-E363 HydrophobicContact CE-CG 3.99Å; M353-E363 WeakPolarHBondContact CE-OE1 3.47Å; M353-E363 WeakPolarHBondContact CE-OE2 3.26Å; M353-E363 VanDerWaalsContact SD-CD 3.56Å; M353-E363 HydrophobicContact SD-CG 4.46Å
354	N	55.2	Low	76.9	Confident	124 Å²	124	73.1 Å²	73.1	66%	0.663	36%	0.359	S	S	*	.			trans	-87.1	22.9	176.6	-79.8	-8.5	0	0	0	114.2	R279	R279-N354 PolarHBondContact NH2-OD1 3.17Å
355	R	65.5	Low	76.9	Confident	176 Å²	176	78 Å²	78	66%	0.664	38%	0.378	S	S	*	.	S	Bend	trans	-116.8	42.7	-170.1	-62.4	-171.6	-160.4	177.2	8.2	114.4	M353 R359	M353-R355 VanDerWaalsContact C-N 3.3Å; M353-R355 PolarHBondContact O-N 2.76Å; R355-R359 VanDerWaalsContact O-CB 3.26Å; R355-R359 WeakPolarHBondContact O-CB 3.16Å
356	G	76	Confident	77	Confident	54 Å²	54	83 Å²	83	56%	0.557	40%	0.401	S	S	*	.			trans	85.1	164.8	165.2	0	0	0	0	0	117.1	A360	G356-A360 PolarHBondContact O-N 3.15Å
357	I	84	Confident	76.9	Confident	61 Å²	61	89.2 Å²	89.2	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-44.1	-176.3	-61.2	169.3	0	0	0	111.1	V283 L341 R359 A360 F361	V283-I357 HydrophobicContact CG2-CB 4.47Å; V283-I357 HydrophobicContact CG2-CD1 3.83Å; V283-I357 HydrophobicContact CG2-CG1 3.85Å; V283-I357 HydrophobicContact CG2-CG2 3.8Å; L341-I357 HydrophobicContact CD2-CG2 3.56Å; I357-R359 PolarHBondContact O-N 3.08Å; I357-A360 PolarHBondContact O-N 3.49Å; I357-F361 PolarHBondContact O-N 3.42Å
358	I	85.2	Confident	76.9	Confident	148 Å²	148	89 Å²	89	76%	0.759	43%	0.425	S	S	*	.	H	α-helix	trans	-61.7	-42.5	-177.4	-60.6	172.7	0	0	0	111.3	F361 R362	I358-F361 PolarHBondContact O-N 2.9Å; I358-R362 WeakPolarHBondContact O-CB 3.45Å; I358-R362 PolarHBondContact O-N 2.88Å
359	R	85.4	Confident	77.2	Confident	117 Å²	117	88 Å²	88	44%	0.442	43%	0.429	S	S	.	.	H	α-helix	trans	-68.9	-38.6	178.9	-168	-176	175	127.2	-4.7	111.6	R355 I357 F361 R362 E363	R355-R359 VanDerWaalsContact O-CB 3.26Å; R355-R359 WeakPolarHBondContact O-CB 3.16Å; I357-R359 PolarHBondContact O-N 3.08Å; R359-F361 VanDerWaalsContact C-N 3.34Å; R359-R362 PolarHBondContact O-N 2.97Å; R359-E363 WeakPolarHBondContact O-CB 3.41Å; R359-E363 PolarHBondContact O-N 3.27Å
360	A	84.7	Confident	77.9	Confident	3 Å²	3	85.5 Å²	85.5	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-63.2	-41.6	175.2	0	0	0	0	0	111.5	L341 L345 G356 I357 E363 I364	L341-A360 HydrophobicContact CD1-CB 3.95Å; L345-A360 HydrophobicContact CD2-CB 3.83Å; G356-A360 PolarHBondContact O-N 3.15Å; I357-A360 PolarHBondContact O-N 3.49Å; A360-E363 PolarHBondContact O-N 3.18Å; A360-I364 WeakPolarHBondContact O-CD1 3.35Å; A360-I364 VanDerWaalsContact O-CG1 3.29Å; A360-I364 WeakPolarHBondContact O-CG1 3.42Å; A360-I364 PolarHBondContact O-N 2.83Å; A360-I364 VanDerWaalsContact O-N 3.08Å
361	F	87.3	Confident	78.9	Confident	80 Å²	80	91.1 Å²	91.1	35%	0.351	45%	0.446	S	S	.	.	H	α-helix	trans	-60.2	-50.8	173	-174	-88.1	0	0	0	111.5	L341 I357 I358 R359 E363 I364 Y365 F373	L341-F361 HydrophobicContact CD2-CB 4.26Å; L341-F361 HydrophobicContact CD2-CD2 4.33Å; I357-F361 PolarHBondContact O-N 3.42Å; I358-F361 PolarHBondContact O-N 2.9Å; R359-F361 VanDerWaalsContact C-N 3.34Å; F361-E363 VanDerWaalsContact C-N 3.32Å; F361-E363 PolarHBondContact O-N 3.2Å; F361-I364 PolarHBondContact O-N 3.34Å; F361-Y365 WeakPolarHBondContact O-CB 3.45Å; F361-Y365 PolarHBondContact O-N 3.5Å; F361-F373 HydrophobicContact CD1-CZ 4.41Å; F361-F373 HydrophobicContact CD2-CD1 4.37Å; F361-F373 AromaticContact CD2-CE1 3.43Å; F361-F373 HydrophobicContact CD2-CE1 3.43Å; F361-F373 VanDerWaalsContact CD2-CE1 3.43Å; F361-F373 AromaticContact CD2-CZ 3.55Å; F361-F373 HydrophobicContact CD2-CZ 3.55Å; F361-F373 HydrophobicContact CE1-CZ 4.37Å; F361-F373 HydrophobicContact CE2-CD1 4.02Å; F361-F373 AromaticContact CE2-CE1 3.44Å; F361-F373 HydrophobicContact CE2-CE1 3.44Å; F361-F373 VanDerWaalsContact CE2-CE1 3.44Å; F361-F373 HydrophobicContact CE2-CE2 4.16Å; F361-F373 AromaticContact CE2-CZ 3.51Å; F361-F373 HydrophobicContact CE2-CZ 3.51Å; F361-F373 HydrophobicContact CG-CE1 4.29Å; F361-F373 HydrophobicContact CG-CZ 4.02Å; F361-F373 HydrophobicContact CZ-CE1 4.3Å; F361-F373 HydrophobicContact CZ-CE2 4.22Å; F361-F373 AromaticContact CZ-CZ 3.94Å; F361-F373 HydrophobicContact CZ-CZ 3.94Å
362	R	88.1	Confident	80	Confident	160 Å²	160	88.5 Å²	88.5	60%	0.604	42%	0.418	S	S	*	.	H	α-helix	trans	-59.1	-41.1	178.2	-176.4	174.8	180	163.4	1.7	112.5	I358 R359 Y365 Q366	I358-R362 WeakPolarHBondContact O-CB 3.45Å; I358-R362 PolarHBondContact O-N 2.88Å; R359-R362 PolarHBondContact O-N 2.97Å; R362-Y365 PolarHBondContact O-N 3.02Å; R362-Q366 HydrophobicContact CG-CG 4.35Å; R362-Q366 WeakPolarHBondContact O-CB 3.2Å; R362-Q366 VanDerWaalsContact O-CG 3.27Å; R362-Q366 WeakPolarHBondContact O-CG 3.43Å; R362-Q366 PolarHBondContact O-N 2.85Å
363	E	85.2	Confident	81.2	Confident	24 Å²	24	83 Å²	83	11%	0.112	39%	0.393	C	S	.	.	H	α-helix	trans	-65.2	-44.3	179.1	-171.3	-162.6	-177.2	0	0	111.9	R348 M353 R359 A360 F361 Y365 Q366 K367	R348-E363 IonicContact CZ-OE2 2.71Å; R348-E363 IonicContact NH1-OE2 2.74Å; R348-E363 PolarHBondContact NH1-OE2 2.83Å; R348-E363 VanDerWaalsContact NH1-OE2 3.13Å; R348-E363 IonicContact NH2-OE1 3.92Å; R348-E363 IonicContact NH2-OE2 3.8Å; R348-E363 PolarHBondContact NH2-OE2 2.83Å; M353-E363 HydrophobicContact CE-CG 3.99Å; M353-E363 WeakPolarHBondContact CE-OE1 3.47Å; M353-E363 WeakPolarHBondContact CE-OE2 3.26Å; M353-E363 VanDerWaalsContact SD-CD 3.56Å; M353-E363 HydrophobicContact SD-CG 4.46Å; R359-E363 WeakPolarHBondContact O-CB 3.41Å; R359-E363 PolarHBondContact O-N 3.27Å; A360-E363 PolarHBondContact O-N 3.18Å; F361-E363 VanDerWaalsContact C-N 3.32Å; F361-E363 PolarHBondContact O-N 3.2Å; E363-Y365 VanDerWaalsContact C-N 3.34Å; E363-Q366 PolarHBondContact O-N 3.44Å; E363-K367 HydrophobicContact CG-CD 3.98Å; E363-K367 WeakPolarHBondContact O-CB 3.5Å; E363-K367 WeakPolarHBondContact O-CG 3.25Å; E363-K367 PolarHBondContact O-N 2.91Å; E363-K367 WeakPolarHBondContact OE1-CE 3.24Å; E363-K367 IonicContact OE1-NZ 3.65Å; E363-K367 PolarHBondContact OE1-NZ 2.65Å
364	I	85.2	Confident	82.8	Confident	3 Å²	3	84.5 Å²	84.5	2%	0.015	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-44.5	176.7	-67.1	164.7	0	0	0	110	L341 A360 F361 Q366 K367 E368 A372 F373	L341-I364 HydrophobicContact CD1-CD1 3.75Å; A360-I364 WeakPolarHBondContact O-CD1 3.35Å; A360-I364 VanDerWaalsContact O-CG1 3.29Å; A360-I364 WeakPolarHBondContact O-CG1 3.42Å; A360-I364 PolarHBondContact O-N 2.83Å; A360-I364 VanDerWaalsContact O-N 3.08Å; F361-I364 PolarHBondContact O-N 3.34Å; I364-Q366 PolarHBondContact O-N 2.8Å; I364-K367 PolarHBondContact O-N 3.33Å; I364-E368 PolarHBondContact O-N 2.9Å; I364-A372 HydrophobicContact CG2-CB 4.05Å; I364-F373 HydrophobicContact CB-CE1 4.31Å; I364-F373 HydrophobicContact CB-CE2 4.42Å; I364-F373 HydrophobicContact CB-CZ 3.8Å; I364-F373 HydrophobicContact CG2-CD2 4.48Å; I364-F373 HydrophobicContact CG2-CE1 3.94Å; I364-F373 HydrophobicContact CG2-CE2 3.86Å; I364-F373 HydrophobicContact CG2-CZ 3.57Å
365	Y	88.2	Confident	84.2	Confident	118 Å²	118	80.7 Å²	80.7	46%	0.463	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-46.9	177.3	-178.2	-96.3	0	0	0	111.9	F361 R362 E363 G369 L370 F373	F361-Y365 WeakPolarHBondContact O-CB 3.45Å; F361-Y365 PolarHBondContact O-N 3.5Å; R362-Y365 PolarHBondContact O-N 3.02Å; E363-Y365 VanDerWaalsContact C-N 3.34Å; Y365-G369 VanDerWaalsContact O-CA 3.24Å; Y365-G369 WeakPolarHBondContact O-CA 3.29Å; Y365-G369 PolarHBondContact O-N 3.33Å; Y365-L370 HydrophobicContact CD2-CD2 3.81Å; Y365-L370 HydrophobicContact CD2-CG 4.17Å; Y365-L370 HydrophobicContact CE2-CD1 4.37Å; Y365-L370 HydrophobicContact CE2-CD2 3.52Å; Y365-L370 HydrophobicContact CE2-CG 3.61Å; Y365-F373 HydrophobicContact CD2-CE2 4.42Å
366	Q	87.5	Confident	85	Confident	128 Å²	128	72.6 Å²	72.6	60%	0.598	34%	0.343	S	S	*	.	H	α-helix	trans	-69.1	-36.4	179.9	-73.6	178.1	-17.7	0	0	113.2	R362 E363 I364	R362-Q366 HydrophobicContact CG-CG 4.35Å; R362-Q366 WeakPolarHBondContact O-CB 3.2Å; R362-Q366 VanDerWaalsContact O-CG 3.27Å; R362-Q366 WeakPolarHBondContact O-CG 3.43Å; R362-Q366 PolarHBondContact O-N 2.85Å; E363-Q366 PolarHBondContact O-N 3.44Å; I364-Q366 PolarHBondContact O-N 2.8Å
367	K	85	Confident	85.4	Confident	137 Å²	137	72 Å²	72	60%	0.596	33%	0.325	S	S	*	.	H	α-helix	trans	-84.8	-32.6	-176.4	-71.8	-177.2	177	177.9	0	114.1	E363 I364	E363-K367 HydrophobicContact CG-CD 3.98Å; E363-K367 WeakPolarHBondContact O-CB 3.5Å; E363-K367 WeakPolarHBondContact O-CG 3.25Å; E363-K367 PolarHBondContact O-N 2.91Å; E363-K367 WeakPolarHBondContact OE1-CE 3.24Å; E363-K367 IonicContact OE1-NZ 3.65Å; E363-K367 PolarHBondContact OE1-NZ 2.65Å; I364-K367 PolarHBondContact O-N 3.33Å
368	E	83	Confident	85.5	Confident	26 Å²	26	74.3 Å²	74.3	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-128.7	-13.3	-168.8	-54.8	-176.6	-146.7	0	0	114.4	R344 I364 A372 A447 R448	R344-E368 IonicContact CZ-OE1 3.92Å; R344-E368 IonicContact CZ-OE2 2.79Å; R344-E368 IonicContact NH1-OE1 3.58Å; R344-E368 PolarHBondContact NH1-OE1 3.3Å; R344-E368 IonicContact NH1-OE2 3.04Å; R344-E368 PolarHBondContact NH1-OE2 3.4Å; R344-E368 IonicContact NH2-OE1 2.79Å; R344-E368 IonicContact NH2-OE2 3.84Å; R344-E368 PolarHBondContact NH2-OE2 2.85Å; I364-E368 PolarHBondContact O-N 2.9Å; E368-A372 HydrophobicContact CB-CB 3.49Å; E368-A372 VanDerWaalsContact CB-CB 3.49Å; E368-A372 HydrophobicContact CG-CB 4.44Å; E368-A372 WeakPolarHBondContact OE2-CB 3.33Å; E368-A447 VanDerWaalsContact OE1-CA 3.24Å; E368-A447 WeakPolarHBondContact OE1-CA 3.46Å; E368-A447 VanDerWaalsContact OE1-CB 3.29Å; E368-A447 WeakPolarHBondContact OE1-CB 3.48Å; E368-R448 HydrophobicContact CG-CB 4.13Å; E368-R448 HydrophobicContact CG-CG 4.33Å; E368-R448 PolarHBondContact OE2-N 3.37Å
369	G	86	Confident	85.4	Confident	26 Å²	26	67.4 Å²	67.4	27%	0.268	30%	0.302	S	S	.	.			trans	75.4	-178.5	-177.6	0	0	0	0	0	114.3	Y365 K371 A372	Y365-G369 VanDerWaalsContact O-CA 3.24Å; Y365-G369 WeakPolarHBondContact O-CA 3.29Å; Y365-G369 PolarHBondContact O-N 3.33Å; G369-K371 VanDerWaalsContact C-N 3.27Å; G369-K371 PolarHBondContact O-N 3.17Å; G369-A372 WeakPolarHBondContact O-CB 3.32Å; G369-A372 PolarHBondContact O-N 3.45Å
370	L	85.5	Confident	85.3	Confident	105 Å²	105	62.5 Å²	62.5	55%	0.55	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-60	-33.4	-178	-72.8	172.1	0	0	0	113.7	Y365 A372 F373	Y365-L370 HydrophobicContact CD2-CD2 3.81Å; Y365-L370 HydrophobicContact CD2-CG 4.17Å; Y365-L370 HydrophobicContact CE2-CD1 4.37Å; Y365-L370 HydrophobicContact CE2-CD2 3.52Å; Y365-L370 HydrophobicContact CE2-CG 3.61Å; L370-A372 PolarHBondContact O-N 2.77Å; L370-A372 VanDerWaalsContact O-N 3.1Å; L370-F373 PolarHBondContact O-N 2.83Å; L370-F373 VanDerWaalsContact O-N 3.1Å
371	K	84.6	Confident	85	Confident	185 Å²	185	65.4 Å²	65.4	80%	0.804	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-59.5	-24.7	-179.7	-67.6	-173.9	179.1	-178	0	112.8	G369 F373 Y374	G369-K371 VanDerWaalsContact C-N 3.27Å; G369-K371 PolarHBondContact O-N 3.17Å; K371-F373 VanDerWaalsContact C-N 3.33Å; K371-Y374 PolarHBondContact O-N 2.97Å
372	A	83.7	Confident	84.8	Confident	2 Å²	2	64.6 Å²	64.6	2%	0.017	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-66.1	-35.7	178.3	0	0	0	0	0	112.8	I364 E368 G369 L370 Y374 R375	I364-A372 HydrophobicContact CG2-CB 4.05Å; E368-A372 HydrophobicContact CB-CB 3.49Å; E368-A372 VanDerWaalsContact CB-CB 3.49Å; E368-A372 HydrophobicContact CG-CB 4.44Å; E368-A372 WeakPolarHBondContact OE2-CB 3.33Å; G369-A372 WeakPolarHBondContact O-CB 3.32Å; G369-A372 PolarHBondContact O-N 3.45Å; L370-A372 PolarHBondContact O-N 2.77Å; L370-A372 VanDerWaalsContact O-N 3.1Å; A372-Y374 PolarHBondContact O-N 3.33Å; A372-R375 PolarHBondContact O-N 3.06Å
373	F	86.9	Confident	84.2	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-72.2	-14.7	-179	-68.4	-77.1	0	0	0	113.5	Y336 P337 V340 F361 I364 Y365 L370 K371	Y336-F373 WeakPolarHBondContact CD1-O 3.44Å; Y336-F373 WeakPolarHBondContact CE1-O 3.38Å; P337-F373 HydrophobicContact CB-CB 3.91Å; P337-F373 HydrophobicContact CB-CD1 3.94Å; P337-F373 HydrophobicContact CB-CG 4.16Å; P337-F373 HydrophobicContact CG-CB 4.21Å; V340-F373 WeakPolarHBondContact CG2-O 3.3Å; F361-F373 HydrophobicContact CD1-CZ 4.41Å; F361-F373 HydrophobicContact CD2-CD1 4.37Å; F361-F373 AromaticContact CD2-CE1 3.43Å; F361-F373 HydrophobicContact CD2-CE1 3.43Å; F361-F373 VanDerWaalsContact CD2-CE1 3.43Å; F361-F373 AromaticContact CD2-CZ 3.55Å; F361-F373 HydrophobicContact CD2-CZ 3.55Å; F361-F373 HydrophobicContact CE1-CZ 4.37Å; F361-F373 HydrophobicContact CE2-CD1 4.02Å; F361-F373 AromaticContact CE2-CE1 3.44Å; F361-F373 HydrophobicContact CE2-CE1 3.44Å; F361-F373 VanDerWaalsContact CE2-CE1 3.44Å; F361-F373 HydrophobicContact CE2-CE2 4.16Å; F361-F373 AromaticContact CE2-CZ 3.51Å; F361-F373 HydrophobicContact CE2-CZ 3.51Å; F361-F373 HydrophobicContact CG-CE1 4.29Å; F361-F373 HydrophobicContact CG-CZ 4.02Å; F361-F373 HydrophobicContact CZ-CE1 4.3Å; F361-F373 HydrophobicContact CZ-CE2 4.22Å; F361-F373 AromaticContact CZ-CZ 3.94Å; F361-F373 HydrophobicContact CZ-CZ 3.94Å; I364-F373 HydrophobicContact CB-CE1 4.31Å; I364-F373 HydrophobicContact CB-CE2 4.42Å; I364-F373 HydrophobicContact CB-CZ 3.8Å; I364-F373 HydrophobicContact CG2-CD2 4.48Å; I364-F373 HydrophobicContact CG2-CE1 3.94Å; I364-F373 HydrophobicContact CG2-CE2 3.86Å; I364-F373 HydrophobicContact CG2-CZ 3.57Å; Y365-F373 HydrophobicContact CD2-CE2 4.42Å; L370-F373 PolarHBondContact O-N 2.83Å; L370-F373 VanDerWaalsContact O-N 3.1Å; K371-F373 VanDerWaalsContact C-N 3.33Å
374	Y	87.2	Confident	83.6	Confident	97 Å²	97	60 Å²	60	38%	0.38	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-108.4	11	178.9	-69.6	-89.4	0	0	0	113.4	T333 Y336 P337 K371 A372 G376 F377	T333-Y374 HydrophobicContact CG2-CE1 4.18Å; T333-Y374 WeakPolarHBondContact O-CE1 3.42Å; T333-Y374 PolarHBondContact O-OH 2.82Å; Y336-Y374 HydrophobicContact CD1-CD1 4.16Å; P337-Y374 HydrophobicContact CG-CE2 4.24Å; K371-Y374 PolarHBondContact O-N 2.97Å; A372-Y374 PolarHBondContact O-N 3.33Å; Y374-G376 PolarHBondContact O-N 2.79Å; Y374-F377 WeakPolarHBondContact O-CB 3.45Å; Y374-F377 PolarHBondContact O-N 3.04Å
375	R	83.7	Confident	83	Confident	44 Å²	44	66 Å²	66	17%	0.166	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	127.7	175.6	-74.3	-178.6	168	-162.5	-14.9	110.7	Y336 A372 Q444 R446 D455	Y336-R375 WeakPolarHBondContact CE1-O 3.47Å; Y336-R375 PolarHBondContact OH-O 3Å; A372-R375 PolarHBondContact O-N 3.06Å; R375-Q444 VanDerWaalsContact O-CG 3.3Å; R375-Q444 WeakPolarHBondContact O-CG 3.46Å; R375-R446 PolarHBondContact NH1-O 2.91Å; R375-R446 VanDerWaalsContact NH1-O 3.12Å; R375-D455 IonicContact NH2-OD1 3.63Å; R375-D455 IonicContact NH2-OD2 3.97Å
376	G	82.9	Confident	82.5	Confident	6 Å²	6	62.3 Å²	62.3	6%	0.062	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	4.2	-177.7	0	0	0	0	0	115.1	Y336 Y374 I378 P379 N380	Y336-G376 VanDerWaalsContact OH-CA 3.28Å; Y336-G376 WeakPolarHBondContact OH-CA 3.45Å; Y336-G376 PolarHBondContact OH-O 2.92Å; Y374-G376 PolarHBondContact O-N 2.79Å; G376-I378 PolarHBondContact O-N 3.15Å; G376-P379 VanDerWaalsContact O-CD 3.26Å; G376-P379 WeakPolarHBondContact O-CD 3.47Å; G376-P379 VanDerWaalsContact O-CG 3.26Å; G376-P379 WeakPolarHBondContact O-CG 3.37Å; G376-N380 WeakPolarHBondContact O-CB 3.33Å; G376-N380 PolarHBondContact O-N 3.01Å; G376-N380 VanDerWaalsContact O-N 3.13Å
377	F	83.8	Confident	81.9	Confident	42 Å²	42	57.8 Å²	57.8	18%	0.184	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-40.7	-179.6	-175.7	-104.7	0	0	0	112.6	Q332 T333 Y336 Y374 N380 L381	Q332-F377 HydrophobicContact CG-CE2 4.49Å; T333-F377 WeakPolarHBondContact OG1-CZ 3.37Å; Y336-F377 HydrophobicContact CD1-CB 4.34Å; Y336-F377 HydrophobicContact CD1-CD2 4.17Å; Y336-F377 AromaticContact CD2-CD2 3.7Å; Y336-F377 HydrophobicContact CD2-CD2 3.7Å; Y336-F377 HydrophobicContact CD2-CE2 4.42Å; Y336-F377 HydrophobicContact CE1-CB 4Å; Y336-F377 HydrophobicContact CE2-CB 4.36Å; Y336-F377 HydrophobicContact CE2-CD2 4.05Å; Y336-F377 AromaticContact CG-CD2 3.79Å; Y336-F377 HydrophobicContact CG-CD2 3.79Å; Y336-F377 PolarHBondContact OH-N 3.39Å; Y336-F377 VanDerWaalsContact OH-N 3.14Å; Y374-F377 WeakPolarHBondContact O-CB 3.45Å; Y374-F377 PolarHBondContact O-N 3.04Å; F377-N380 VanDerWaalsContact O-CB 3.26Å; F377-N380 WeakPolarHBondContact O-CB 3.37Å; F377-N380 PolarHBondContact O-N 3.46Å; F377-L381 HydrophobicContact CD1-CD1 3.94Å; F377-L381 HydrophobicContact CD1-CG 4.38Å; F377-L381 HydrophobicContact CE1-CD1 3.35Å; F377-L381 HydrophobicContact CE1-CG 3.99Å; F377-L381 HydrophobicContact CZ-CD1 3.75Å; F377-L381 HydrophobicContact CZ-CD2 4.14Å; F377-L381 HydrophobicContact CZ-CG 4.05Å; F377-L381 PolarHBondContact O-N 3.47Å
378	I	85.6	Confident	81.1	Confident	109 Å²	109	53.2 Å²	53.2	56%	0.559	27%	0.273	S	S	*	.	H	α-helix	trans	-61.2	-54.5	177.7	-60.6	173.9	0	0	0	112.5	G376 N380 L381 I382 M457	G376-I378 PolarHBondContact O-N 3.15Å; I378-N380 PolarHBondContact O-N 3.31Å; I378-L381 PolarHBondContact O-N 3.15Å; I378-I382 HydrophobicContact CG2-CD1 3.81Å; I378-I382 HydrophobicContact CG2-CG1 4.47Å; I378-I382 WeakPolarHBondContact O-CG1 3.44Å; I378-I382 PolarHBondContact O-N 3.26Å; I378-M457 HydrophobicContact CG2-SD 4.19Å
379	P	84.6	Confident	80.4	Confident	2 Å²	2	54 Å²	54	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-27.8	176.7	19.6	-29	0	0	0	112.5	G376 G383 F436 V439 R440 L443 M457	G376-P379 VanDerWaalsContact O-CD 3.26Å; G376-P379 WeakPolarHBondContact O-CD 3.47Å; G376-P379 VanDerWaalsContact O-CG 3.26Å; G376-P379 WeakPolarHBondContact O-CG 3.37Å; P379-G383 PolarHBondContact O-N 3.39Å; P379-F436 HydrophobicContact CB-CD1 4.45Å; P379-V439 HydrophobicContact CB-CG1 4.28Å; P379-V439 HydrophobicContact CG-CG1 4.25Å; P379-R440 HydrophobicContact CB-CB 4.5Å; P379-R440 HydrophobicContact CG-CB 4.32Å; P379-L443 HydrophobicContact CG-CD1 3.96Å; P379-M457 HydrophobicContact CB-CG 4.1Å; P379-M457 HydrophobicContact CB-SD 3.77Å; P379-M457 HydrophobicContact CG-CG 4.27Å; P379-M457 HydrophobicContact CG-SD 4.29Å
380	N	82.9	Confident	80.1	Confident	14 Å²	14	56 Å²	56	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-53.1	171.9	-171.7	49.6	0	0	0	111.9	Q332 Y336 G376 F377 I378 I382 G383 I384 R440	Q332-N380 WeakPolarHBondContact CG-ND2 3.14Å; Q332-N380 PolarHBondContact NE2-ND2 3.26Å; Y336-N380 HydrophobicContact CE2-CB 4.18Å; G376-N380 WeakPolarHBondContact O-CB 3.33Å; G376-N380 PolarHBondContact O-N 3.01Å; G376-N380 VanDerWaalsContact O-N 3.13Å; F377-N380 VanDerWaalsContact O-CB 3.26Å; F377-N380 WeakPolarHBondContact O-CB 3.37Å; F377-N380 PolarHBondContact O-N 3.46Å; I378-N380 PolarHBondContact O-N 3.31Å; N380-I382 PolarHBondContact O-N 2.81Å; N380-G383 PolarHBondContact O-N 3.01Å; N380-I384 WeakPolarHBondContact O-CG1 3.21Å; N380-I384 PolarHBondContact O-N 2.85Å; N380-R440 HydrophobicContact CB-CG 4.35Å; N380-R440 WeakPolarHBondContact OD1-CD 3.3Å; N380-R440 PolarHBondContact OD1-NE 3.09Å; N380-R440 PolarHBondContact OD1-NH1 3.32Å
381	L	77.5	Confident	79.5	Confident	64 Å²	64	51.4 Å²	51.4	34%	0.335	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-44.3	-179.8	-69.5	-178.8	0	0	0	112.4	F377 I378 G383 I384	F377-L381 HydrophobicContact CD1-CD1 3.94Å; F377-L381 HydrophobicContact CD1-CG 4.38Å; F377-L381 HydrophobicContact CE1-CD1 3.35Å; F377-L381 HydrophobicContact CE1-CG 3.99Å; F377-L381 HydrophobicContact CZ-CD1 3.75Å; F377-L381 HydrophobicContact CZ-CD2 4.14Å; F377-L381 HydrophobicContact CZ-CG 4.05Å; F377-L381 PolarHBondContact O-N 3.47Å; I378-L381 PolarHBondContact O-N 3.15Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.01Å; L381-I384 HydrophobicContact CD2-CD1 4.47Å; L381-I384 PolarHBondContact O-N 3.28Å
382	I	82.9	Confident	78.9	Confident	63 Å²	63	47.3 Å²	47.3	32%	0.323	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-37.1	178.5	-63.9	172.3	0	0	0	110.6	I378 N380 I384 I385 P386 F436 M457	I378-I382 HydrophobicContact CG2-CD1 3.81Å; I378-I382 HydrophobicContact CG2-CG1 4.47Å; I378-I382 WeakPolarHBondContact O-CG1 3.44Å; I378-I382 PolarHBondContact O-N 3.26Å; N380-I382 PolarHBondContact O-N 2.81Å; I382-I384 VanDerWaalsContact C-N 3.29Å; I382-I384 PolarHBondContact O-N 2.85Å; I382-I385 PolarHBondContact O-N 2.76Å; I382-P386 WeakPolarHBondContact O-CD 3.43Å; I382-F436 HydrophobicContact CB-CD1 4.31Å; I382-F436 HydrophobicContact CB-CE1 4.25Å; I382-F436 HydrophobicContact CG2-CD1 3.95Å; I382-F436 HydrophobicContact CG2-CE1 3.48Å; I382-F436 VanDerWaalsContact CG2-CE1 3.48Å; I382-F436 HydrophobicContact CG2-CE2 4.27Å; I382-F436 HydrophobicContact CG2-CZ 3.66Å; I382-M457 HydrophobicContact CD1-CE 3.9Å; I382-M457 HydrophobicContact CD1-SD 4.04Å
383	G	76.5	Confident	78.4	Confident	7 Å²	7	48.9 Å²	48.9	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-24.6	179.2	0	0	0	0	0	114.4	P379 N380 L381 I385 Y387 S433	P379-G383 PolarHBondContact O-N 3.39Å; N380-G383 PolarHBondContact O-N 3.01Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.01Å; G383-I385 VanDerWaalsContact C-N 3.35Å; G383-Y387 WeakPolarHBondContact O-CB 3.19Å; G383-Y387 PolarHBondContact O-N 3.23Å; G383-S433 WeakPolarHBondContact O-CB 3.43Å; G383-S433 PolarHBondContact O-OG 3.01Å; G383-S433 VanDerWaalsContact O-OG 3.11Å
384	I	73	Confident	78.1	Confident	82 Å²	82	49.4 Å²	49.4	42%	0.421	27%	0.272	S	S	.	.	H	α-helix	trans	-68.1	-35.7	178.4	-67.1	165.1	0	0	0	111.2	N380 L381 I382 Y387 A388	N380-I384 WeakPolarHBondContact O-CG1 3.21Å; N380-I384 PolarHBondContact O-N 2.85Å; L381-I384 HydrophobicContact CD2-CD1 4.47Å; L381-I384 PolarHBondContact O-N 3.28Å; I382-I384 VanDerWaalsContact C-N 3.29Å; I382-I384 PolarHBondContact O-N 2.85Å; I384-Y387 WeakPolarHBondContact O-CB 3.24Å; I384-Y387 PolarHBondContact O-N 3.26Å; I384-A388 PolarHBondContact O-N 3.48Å
385	I	72.4	Confident	77.5	Confident	129 Å²	129	46.9 Å²	46.9	66%	0.662	26%	0.262	S	S	*	.	H	α-helix	trans	-66.8	-52.7	-174.3	-60.1	167.4	0	0	0	111.9	I382 G383 Y387 G389	I382-I385 PolarHBondContact O-N 2.76Å; G383-I385 VanDerWaalsContact C-N 3.35Å; I385-Y387 PolarHBondContact O-N 3.26Å; I385-G389 PolarHBondContact O-N 2.86Å; I385-G389 VanDerWaalsContact O-N 3.09Å
386	P	76.8	Confident	77	Confident	40 Å²	40	49 Å²	49	26%	0.26	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-31.6	174.5	-20.5	31.8	0	0	0	112.6	I382 I390	I382-P386 WeakPolarHBondContact O-CD 3.43Å; P386-I390 VanDerWaalsContact O-CB 3.32Å; P386-I390 WeakPolarHBondContact O-CB 3.24Å; P386-I390 WeakPolarHBondContact O-CG1 3.32Å; P386-I390 PolarHBondContact O-N 3.5Å
387	Y	75.3	Confident	76.6	Confident	33 Å²	33	55.8 Å²	55.8	13%	0.129	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-60.5	178.1	177.2	-98.1	0	0	0	110.1	I201 G383 I384 I385 G389 I390 D391 S426 G429 Q430 S433	I201-Y387 PolarHBondContact O-OH 3.05Å; G383-Y387 WeakPolarHBondContact O-CB 3.19Å; G383-Y387 PolarHBondContact O-N 3.23Å; I384-Y387 WeakPolarHBondContact O-CB 3.24Å; I384-Y387 PolarHBondContact O-N 3.26Å; I385-Y387 PolarHBondContact O-N 3.26Å; Y387-G389 PolarHBondContact O-N 3.42Å; Y387-I390 PolarHBondContact O-N 3.4Å; Y387-D391 WeakPolarHBondContact O-CB 3.4Å; Y387-D391 PolarHBondContact O-N 3.24Å; Y387-D391 PolarHBondContact OH-OD2 2.82Å; Y387-S426 WeakPolarHBondContact OH-CB 3.4Å; Y387-G429 VanDerWaalsContact CD2-C 3.4Å; Y387-Q430 HydrophobicContact CD2-CG 4.36Å; Y387-Q430 HydrophobicContact CE2-CG 3.82Å; Y387-S433 WeakPolarHBondContact CA-OG 3.28Å; Y387-S433 WeakPolarHBondContact CB-OG 3.47Å; Y387-S433 PolarHBondContact N-OG 3.44Å
388	A	68.6	Low	76.2	Confident	40 Å²	40	57.5 Å²	57.5	33%	0.331	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-42.3	-177.3	0	0	0	0	0	111.9	I384 I390 L392	I384-A388 PolarHBondContact O-N 3.48Å; A388-I390 PolarHBondContact O-N 2.85Å; A388-L392 VanDerWaalsContact O-CB 3.27Å; A388-L392 WeakPolarHBondContact O-CB 3.41Å; A388-L392 PolarHBondContact O-N 2.97Å
389	G	69.1	Low	75.9	Confident	44 Å²	44	55 Å²	55	45%	0.454	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-42.5	180	0	0	0	0	0	113.4	I385 Y387 A393	I385-G389 PolarHBondContact O-N 2.86Å; I385-G389 VanDerWaalsContact O-N 3.09Å; Y387-G389 PolarHBondContact O-N 3.42Å; G389-A393 VanDerWaalsContact O-CB 3.23Å; G389-A393 WeakPolarHBondContact O-CB 3.49Å; G389-A393 PolarHBondContact O-N 3.49Å; G389-A393 VanDerWaalsContact O-N 3.11Å
390	I	78.7	Confident	75.2	Confident	68 Å²	68	57.8 Å²	57.8	35%	0.349	32%	0.315	S	S	.	.	H	α-helix	trans	-80.8	-36.7	-178.9	-69.3	168	0	0	0	111.5	P386 Y387 A388 A394 C428 A432	P386-I390 VanDerWaalsContact O-CB 3.32Å; P386-I390 WeakPolarHBondContact O-CB 3.24Å; P386-I390 WeakPolarHBondContact O-CG1 3.32Å; P386-I390 PolarHBondContact O-N 3.5Å; Y387-I390 PolarHBondContact O-N 3.4Å; A388-I390 PolarHBondContact O-N 2.85Å; I390-A394 WeakPolarHBondContact O-CB 3.35Å; I390-A394 PolarHBondContact O-N 3.26Å; I390-C428 HydrophobicContact CG2-CB 4.21Å; I390-A432 HydrophobicContact CD1-CB 3.16Å; I390-A432 HydrophobicContact CG1-CB 4.43Å
391	D	73.8	Confident	74.7	Confident	8 Å²	8	59 Å²	59	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-51.8	174.8	-167.5	8	0	0	0	110	Y387 A393 A394 Y395 S425 S426	Y387-D391 WeakPolarHBondContact O-CB 3.4Å; Y387-D391 PolarHBondContact O-N 3.24Å; Y387-D391 PolarHBondContact OH-OD2 2.82Å; D391-A393 PolarHBondContact O-N 3.08Å; D391-A394 PolarHBondContact O-N 2.92Å; D391-Y395 VanDerWaalsContact O-CB 3.24Å; D391-Y395 WeakPolarHBondContact O-CB 3.32Å; D391-Y395 PolarHBondContact O-N 3.25Å; D391-S425 WeakPolarHBondContact O-CB 3.4Å; D391-S425 WeakPolarHBondContact OD1-CB 3.15Å; D391-S425 PolarHBondContact OD1-OG 3.19Å; D391-S426 WeakPolarHBondContact OD1-CA 3.25Å; D391-S426 PolarHBondContact OD1-N 2.86Å; D391-S426 PolarHBondContact OD1-OG 3.47Å; D391-S426 PolarHBondContact OD2-OG 3.4Å; D391-S426 VanDerWaalsContact OD2-OG 3.13Å
392	L	70.2	Confident	74.6	Confident	99 Å²	99	60.3 Å²	60.3	52%	0.518	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-48.2	178.1	-173.6	65.5	0	0	0	112.1	A388 A394 Y395 E396	A388-L392 VanDerWaalsContact O-CB 3.27Å; A388-L392 WeakPolarHBondContact O-CB 3.41Å; A388-L392 PolarHBondContact O-N 2.97Å; L392-A394 PolarHBondContact O-N 2.88Å; L392-Y395 PolarHBondContact O-N 2.73Å; L392-E396 HydrophobicContact CD1-CG 4.1Å; L392-E396 WeakPolarHBondContact O-CB 3.39Å; L392-E396 WeakPolarHBondContact O-CG 2.76Å; L392-E396 PolarHBondContact O-N 2.93Å
393	A	74.4	Confident	74	Confident	35 Å²	35	60.1 Å²	60.1	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-42.6	179.4	0	0	0	0	0	112.3	G389 D391 Q397	G389-A393 VanDerWaalsContact O-CB 3.23Å; G389-A393 WeakPolarHBondContact O-CB 3.49Å; G389-A393 PolarHBondContact O-N 3.49Å; G389-A393 VanDerWaalsContact O-N 3.11Å; D391-A393 PolarHBondContact O-N 3.08Å; A393-Q397 WeakPolarHBondContact O-CA 3.07Å; A393-Q397 WeakPolarHBondContact O-CB 3.32Å; A393-Q397 WeakPolarHBondContact O-CG 3.38Å; A393-Q397 PolarHBondContact O-N 3.23Å
394	A	79.8	Confident	73.8	Confident	11 Å²	11	61 Å²	61	9%	0.091	34%	0.335	C	S	.	.	I	π-helix	trans	-67.5	-42.7	178.2	0	0	0	0	0	111.3	I390 D391 L392 T398 F399 C428	I390-A394 WeakPolarHBondContact O-CB 3.35Å; I390-A394 PolarHBondContact O-N 3.26Å; D391-A394 PolarHBondContact O-N 2.92Å; L392-A394 PolarHBondContact O-N 2.88Å; A394-T398 WeakPolarHBondContact O-CA 3.32Å; A394-T398 WeakPolarHBondContact O-CB 3.13Å; A394-T398 PolarHBondContact O-N 2.82Å; A394-F399 HydrophobicContact CB-CD2 4.39Å; A394-F399 HydrophobicContact CB-CE2 4.1Å; A394-F399 VanDerWaalsContact O-CD2 3.23Å; A394-F399 WeakPolarHBondContact O-CD2 3.38Å; A394-F399 PolarHBondContact O-N 3.29Å; A394-C428 HydrophobicContact CB-CB 4.2Å
395	Y	75.1	Confident	73.7	Confident	45 Å²	45	61.7 Å²	61.7	18%	0.176	35%	0.347	C	S	.	.	I	π-helix	trans	-60.1	-55.3	177.2	-179.2	-100.7	0	0	0	111.2	D391 L392 K400 L418 C421	D391-Y395 VanDerWaalsContact O-CB 3.24Å; D391-Y395 WeakPolarHBondContact O-CB 3.32Å; D391-Y395 PolarHBondContact O-N 3.25Å; L392-Y395 PolarHBondContact O-N 2.73Å; Y395-K400 HydrophobicContact CE1-CD 3.96Å; Y395-K400 WeakPolarHBondContact O-CB 3.17Å; Y395-K400 PolarHBondContact O-N 3.27Å; Y395-L418 VanDerWaalsContact OH-CD2 3.25Å; Y395-L418 WeakPolarHBondContact OH-CD2 3.26Å; Y395-C421 HydrophobicContact CD2-CB 4.29Å; Y395-C421 HydrophobicContact CE2-CB 4.06Å
396	E	72.5	Confident	73.5	Confident	89 Å²	89	61.9 Å²	61.9	42%	0.416	34%	0.344	S	S	.	.	I	π-helix	trans	-71.3	-52.9	-175.4	-67.8	-171.8	161.9	0	0	112.2	L392 A401	L392-E396 HydrophobicContact CD1-CG 4.1Å; L392-E396 WeakPolarHBondContact O-CB 3.39Å; L392-E396 WeakPolarHBondContact O-CG 2.76Å; L392-E396 PolarHBondContact O-N 2.93Å; E396-A401 WeakPolarHBondContact O-CB 3.22Å; E396-A401 PolarHBondContact O-N 3.23Å; E396-A401 VanDerWaalsContact O-N 3.14Å
397	Q	75.2	Confident	73.1	Confident	148 Å²	148	68 Å²	68	69%	0.692	36%	0.364	S	S	*	.	I	π-helix	trans	-85.3	-28.6	-168.7	-56.3	-179.7	-12.6	0	0	113.3	A393	A393-Q397 WeakPolarHBondContact O-CA 3.07Å; A393-Q397 WeakPolarHBondContact O-CB 3.32Å; A393-Q397 WeakPolarHBondContact O-CG 3.38Å; A393-Q397 PolarHBondContact O-N 3.23Å
398	T	76.5	Confident	72.3	Confident	78 Å²	78	67.4 Å²	67.4	48%	0.479	37%	0.365	S	S	.	.	I	π-helix	trans	-102.6	-58	-175.1	-49.5	0	0	0	0	111.3	A394 N402	A394-T398 WeakPolarHBondContact O-CA 3.32Å; A394-T398 WeakPolarHBondContact O-CB 3.13Å; A394-T398 PolarHBondContact O-N 2.82Å; T398-N402 WeakPolarHBondContact O-CB 3.06Å; T398-N402 PolarHBondContact O-N 3.39Å
399	F	77.8	Confident	71.6	Confident	57 Å²	57	74.2 Å²	74.2	25%	0.25	39%	0.39	C	S	.	.	I	π-helix	trans	-85.1	-50.5	-168.9	-62.9	-65.2	0	0	0	112.6	A394 Y403 C421 A424	A394-F399 HydrophobicContact CB-CD2 4.39Å; A394-F399 HydrophobicContact CB-CE2 4.1Å; A394-F399 VanDerWaalsContact O-CD2 3.23Å; A394-F399 WeakPolarHBondContact O-CD2 3.38Å; A394-F399 PolarHBondContact O-N 3.29Å; F399-Y403 WeakPolarHBondContact O-CB 3.42Å; F399-Y403 PolarHBondContact O-N 2.75Å; F399-C421 HydrophobicContact CB-CB 3.73Å; F399-A424 HydrophobicContact CD1-CB 4.18Å; F399-A424 HydrophobicContact CD2-CB 4.19Å; F399-A424 HydrophobicContact CE1-CB 3.73Å; F399-A424 HydrophobicContact CE2-CB 3.74Å; F399-A424 HydrophobicContact CG-CB 4.4Å; F399-A424 HydrophobicContact CZ-CB 3.49Å; F399-A424 VanDerWaalsContact CZ-CB 3.49Å
400	K	71.4	Confident	70.7	Confident	59 Å²	59	79.7 Å²	79.7	26%	0.257	41%	0.409	S	S	.	.	I	π-helix	trans	-68	-50.6	-179.6	-172.8	175.6	178.8	177.3	0	111	L197 Y395 N402 Y403 V404	L197-K400 VanDerWaalsContact CD2-NZ 3.31Å; Y395-K400 HydrophobicContact CE1-CD 3.96Å; Y395-K400 WeakPolarHBondContact O-CB 3.17Å; Y395-K400 PolarHBondContact O-N 3.27Å; K400-N402 VanDerWaalsContact C-N 3.35Å; K400-N402 PolarHBondContact O-N 3.01Å; K400-Y403 PolarHBondContact O-N 2.97Å; K400-V404 HydrophobicContact CG-CG2 4.28Å; K400-V404 WeakPolarHBondContact O-CB 3.48Å; K400-V404 VanDerWaalsContact O-CG2 3.25Å; K400-V404 WeakPolarHBondContact O-CG2 3.24Å; K400-V404 PolarHBondContact O-N 3.47Å
401	A	71.2	Confident	69.6	Low	41 Å²	41	78.9 Å²	78.9	34%	0.339	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-43.2	178.4	0	0	0	0	0	112.6	E396 S405	E396-A401 WeakPolarHBondContact O-CB 3.22Å; E396-A401 PolarHBondContact O-N 3.23Å; E396-A401 VanDerWaalsContact O-N 3.14Å; A401-S405 VanDerWaalsContact O-CB 3.29Å; A401-S405 WeakPolarHBondContact O-CB 3.04Å; A401-S405 PolarHBondContact O-N 3.39Å; A401-S405 PolarHBondContact O-OG 2.83Å
402	N	75.7	Confident	69	Low	91 Å²	91	83.8 Å²	83.8	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-41.6	179	-171.3	27.5	0	0	0	112.2	T398 K400 S405 H406	T398-N402 WeakPolarHBondContact O-CB 3.06Å; T398-N402 PolarHBondContact O-N 3.39Å; K400-N402 VanDerWaalsContact C-N 3.35Å; K400-N402 PolarHBondContact O-N 3.01Å; N402-S405 PolarHBondContact O-N 3.39Å; N402-H406 PolarHBondContact O-N 3.45Å; N402-H406 VanDerWaalsContact O-N 3.11Å; N402-H406 PolarHBondContact O-ND1 2.97Å; N402-H406 PolarHBondContact OD1-CE1 3.07Å; N402-H406 VanDerWaalsContact OD1-CE1 3.27Å; N402-H406 PolarHBondContact OD1-ND1 3.48Å; N402-H406 VanDerWaalsContact OD1-ND1 3.13Å
403	Y	71.2	Confident	68.8	Low	59 Å²	59	79.8 Å²	79.8	23%	0.231	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-47.8	176.3	-175.4	-91.2	0	0	0	111.7	F399 K400 S405 H406 Y407 P413 P414 V417	F399-Y403 WeakPolarHBondContact O-CB 3.42Å; F399-Y403 PolarHBondContact O-N 2.75Å; K400-Y403 PolarHBondContact O-N 2.97Å; Y403-S405 VanDerWaalsContact C-N 3.26Å; Y403-S405 PolarHBondContact O-N 2.96Å; Y403-H406 PolarHBondContact O-N 2.9Å; Y403-Y407 AromaticContact CD2-CD2 3.91Å; Y403-Y407 HydrophobicContact CD2-CD2 3.91Å; Y403-Y407 AromaticContact CE2-CD2 3.91Å; Y403-Y407 HydrophobicContact CE2-CD2 3.91Å; Y403-Y407 HydrophobicContact CE2-CG 4.18Å; Y403-Y407 PolarHBondContact O-N 3.18Å; Y403-P413 HydrophobicContact CD1-CB 3.81Å; Y403-P413 HydrophobicContact CE1-CB 3.49Å; Y403-P413 VanDerWaalsContact CE1-CB 3.49Å; Y403-P414 WeakPolarHBondContact OH-CD 3.47Å; Y403-V417 HydrophobicContact CD1-CG1 4.14Å; Y403-V417 HydrophobicContact CD2-CG1 3.55Å; Y403-V417 HydrophobicContact CE1-CG1 4.09Å; Y403-V417 HydrophobicContact CE2-CB 4.3Å; Y403-V417 HydrophobicContact CE2-CG1 3.48Å; Y403-V417 VanDerWaalsContact CE2-CG1 3.48Å; Y403-V417 HydrophobicContact CE2-CG2 3.94Å; Y403-V417 HydrophobicContact CG-CG1 3.87Å
404	V	71.9	Confident	68.6	Low	26 Å²	26	81.6 Å²	81.6	16%	0.158	43%	0.433	C	S	.	.	H	α-helix	trans	-60.4	-39.2	178.5	169.9	0	0	0	0	111	K400 H406 A408	K400-V404 HydrophobicContact CG-CG2 4.28Å; K400-V404 WeakPolarHBondContact O-CB 3.48Å; K400-V404 VanDerWaalsContact O-CG2 3.25Å; K400-V404 WeakPolarHBondContact O-CG2 3.24Å; K400-V404 PolarHBondContact O-N 3.47Å; V404-H406 PolarHBondContact O-N 3.23Å; V404-A408 HydrophobicContact CB-CB 4.14Å; V404-A408 HydrophobicContact CG1-CB 3.94Å; V404-A408 HydrophobicContact CG2-CB 4.3Å; V404-A408 VanDerWaalsContact O-CB 3.31Å; V404-A408 WeakPolarHBondContact O-CB 3.34Å; V404-A408 PolarHBondContact O-N 3.23Å; V404-A408 VanDerWaalsContact O-N 3.17Å
405	S	69.7	Low	68.1	Low	96 Å²	96	85.3 Å²	85.3	67%	0.671	45%	0.454	S	S	*	.	H	α-helix	trans	-71.2	-28.4	179.8	-56.3	0	0	0	0	113.7	A401 N402 Y403	A401-S405 VanDerWaalsContact O-CB 3.29Å; A401-S405 WeakPolarHBondContact O-CB 3.04Å; A401-S405 PolarHBondContact O-N 3.39Å; A401-S405 PolarHBondContact O-OG 2.83Å; N402-S405 PolarHBondContact O-N 3.39Å; Y403-S405 VanDerWaalsContact C-N 3.26Å; Y403-S405 PolarHBondContact O-N 2.96Å
406	H	68.8	Low	67.7	Low	133 Å²	133	90.2 Å²	90.2	62%	0.616	48%	0.482	S	S	*	.	H	α-helix	trans	-97.6	-24.6	-177.3	-80	67	0	0	0	114.2	N402 Y403 V404	N402-H406 PolarHBondContact O-N 3.45Å; N402-H406 VanDerWaalsContact O-N 3.11Å; N402-H406 PolarHBondContact O-ND1 2.97Å; N402-H406 PolarHBondContact OD1-CE1 3.07Å; N402-H406 VanDerWaalsContact OD1-CE1 3.27Å; N402-H406 PolarHBondContact OD1-ND1 3.48Å; N402-H406 VanDerWaalsContact OD1-ND1 3.13Å; Y403-H406 PolarHBondContact O-N 2.9Å; V404-H406 PolarHBondContact O-N 3.23Å
407	Y	67.4	Low	67.7	Low	169 Å²	169	87.6 Å²	87.6	66%	0.663	47%	0.472	S	S	*	.	H	α-helix	trans	-134.6	-14	-168.7	-64.8	-78.6	0	0	0	115.3	Y403 E409	Y403-Y407 AromaticContact CD2-CD2 3.91Å; Y403-Y407 HydrophobicContact CD2-CD2 3.91Å; Y403-Y407 AromaticContact CE2-CD2 3.91Å; Y403-Y407 HydrophobicContact CE2-CD2 3.91Å; Y403-Y407 HydrophobicContact CE2-CG 4.18Å; Y403-Y407 PolarHBondContact O-N 3.18Å; Y407-E409 VanDerWaalsContact C-N 3.34Å; Y407-E409 PolarHBondContact O-N 3.07Å
408	A	58.8	Low	67.6	Low	20 Å²	20	83.2 Å²	83.2	17%	0.165	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	55.8	-172.7	0	0	0	0	0	113.2	V404	V404-A408 HydrophobicContact CB-CB 4.14Å; V404-A408 HydrophobicContact CG1-CB 3.94Å; V404-A408 HydrophobicContact CG2-CB 4.3Å; V404-A408 VanDerWaalsContact O-CB 3.31Å; V404-A408 WeakPolarHBondContact O-CB 3.34Å; V404-A408 PolarHBondContact O-N 3.23Å; V404-A408 VanDerWaalsContact O-N 3.17Å
409	E	54.2	Low	67.3	Low	182 Å²	182	82 Å²	82	85%	0.85	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-22.6	161.1	-79.6	-172.9	161.7	0	0	111.9	Y407	Y407-E409 VanDerWaalsContact C-N 3.34Å; Y407-E409 PolarHBondContact O-N 3.07Å
410	N	51.1	Low	67.1	Low	160 Å²	160	82.1 Å²	82.1	86%	0.856	46%	0.455	S	S	*	.	S	Bend	trans	-143.3	26.8	-167.6	-74.2	-52	0	0	0	116.8
411	G	55	Low	67.4	Low	51 Å²	51	80 Å²	80	53%	0.526	45%	0.447	S	S	.	.	S	Bend	trans	157.1	167.4	169.6	0	0	0	0	0	115.9
412	D	61.7	Low	67.6	Low	110 Å²	110	78.2 Å²	78.2	59%	0.588	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-63	141.8	173.3	-76.3	-50.9	0	0	0	110.7	K159	K159-D412 VanDerWaalsContact NZ-CG 3.28Å; K159-D412 IonicContact NZ-OD1 2.61Å; K159-D412 PolarHBondContact NZ-OD1 3.26Å; K159-D412 IonicContact NZ-OD2 3.99Å; K159-D412 PolarHBondContact NZ-OD2 3.13Å; K159-D412 VanDerWaalsContact NZ-OD2 3.07Å
413	P	65.2	Low	67.6	Low	15 Å²	15	74.6 Å²	74.6	10%	0.097	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-53.8	134.1	177.3	20.4	-32.8	0	0	0	110.3	Y403 V417 L418	Y403-P413 HydrophobicContact CD1-CB 3.81Å; Y403-P413 HydrophobicContact CE1-CB 3.49Å; Y403-P413 VanDerWaalsContact CE1-CB 3.49Å; P413-V417 HydrophobicContact CB-CB 4.19Å; P413-V417 HydrophobicContact CB-CG1 3.95Å; P413-L418 HydrophobicContact CB-CD2 4.31Å; P413-L418 HydrophobicContact CB-CG 4Å; P413-L418 HydrophobicContact CG-CD1 4.09Å; P413-L418 HydrophobicContact CG-CD2 3.54Å; P413-L418 HydrophobicContact CG-CG 3.64Å; P413-L418 WeakPolarHBondContact O-CD1 3.27Å
414	P	69.9	Low	68.1	Low	74 Å²	74	73.1 Å²	73.1	48%	0.481	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-57.5	148.1	175.5	22.6	-30.7	0	0	0	109.7	Y403 L416 V417 L418	Y403-P414 WeakPolarHBondContact OH-CD 3.47Å; P414-L416 PolarHBondContact O-N 3.47Å; P414-V417 HydrophobicContact CG-CB 4.17Å; P414-V417 HydrophobicContact CG-CG2 3.72Å; P414-V417 WeakPolarHBondContact O-CA 3.39Å; P414-V417 WeakPolarHBondContact O-CB 3.33Å; P414-V417 PolarHBondContact O-N 3.43Å; P414-L418 PolarHBondContact O-N 3.06Å; P414-L418 VanDerWaalsContact O-N 3.15Å
415	V	69.3	Low	68.5	Low	88 Å²	88	72 Å²	72	53%	0.533	41%	0.407	S	S	.	.	H	α-helix	trans	-49.1	-36.7	-175.7	178.2	0	0	0	0	112.3	V417 L418 M419	V415-V417 PolarHBondContact O-N 3.01Å; V415-L418 PolarHBondContact O-N 3.16Å; V415-M419 HydrophobicContact CG1-CG 4.13Å; V415-M419 WeakPolarHBondContact O-CB 3.41Å; V415-M419 WeakPolarHBondContact O-CG 3.49Å; V415-M419 PolarHBondContact O-N 3.02Å
416	L	66.3	Low	68.8	Low	148 Å²	148	67.4 Å²	67.4	78%	0.775	38%	0.375	S	S	*	.	H	α-helix	trans	-62.1	-39.4	176.5	-70.9	170.3	0	0	0	113.6	P414 M419 A420	P414-L416 PolarHBondContact O-N 3.47Å; L416-M419 PolarHBondContact O-N 3.33Å; L416-A420 WeakPolarHBondContact O-CB 3.21Å; L416-A420 PolarHBondContact O-N 3.33Å
417	V	74.1	Confident	69.5	Low	34 Å²	34	63.6 Å²	63.6	21%	0.206	36%	0.358	C	S	.	.	H	α-helix	trans	-68.6	-45.4	175.4	169.7	0	0	0	0	109.8	Y403 P413 P414 V415 M419 A420 C421	Y403-V417 HydrophobicContact CD1-CG1 4.14Å; Y403-V417 HydrophobicContact CD2-CG1 3.55Å; Y403-V417 HydrophobicContact CE1-CG1 4.09Å; Y403-V417 HydrophobicContact CE2-CB 4.3Å; Y403-V417 HydrophobicContact CE2-CG1 3.48Å; Y403-V417 VanDerWaalsContact CE2-CG1 3.48Å; Y403-V417 HydrophobicContact CE2-CG2 3.94Å; Y403-V417 HydrophobicContact CG-CG1 3.87Å; P413-V417 HydrophobicContact CB-CB 4.19Å; P413-V417 HydrophobicContact CB-CG1 3.95Å; P414-V417 HydrophobicContact CG-CB 4.17Å; P414-V417 HydrophobicContact CG-CG2 3.72Å; P414-V417 WeakPolarHBondContact O-CA 3.39Å; P414-V417 WeakPolarHBondContact O-CB 3.33Å; P414-V417 PolarHBondContact O-N 3.43Å; V415-V417 PolarHBondContact O-N 3.01Å; V417-M419 VanDerWaalsContact C-N 3.26Å; V417-M419 PolarHBondContact O-N 3.35Å; V417-A420 WeakPolarHBondContact O-CB 3.3Å; V417-A420 PolarHBondContact O-N 2.95Å; V417-C421 WeakPolarHBondContact O-CB 3.37Å; V417-C421 PolarHBondContact O-N 3.08Å; V417-C421 PolarHBondContact O-SG 2.93Å
418	L	72.7	Confident	70.3	Confident	56 Å²	56	57.8 Å²	57.8	29%	0.293	34%	0.342	S	S	.	.	H	α-helix	trans	-56.8	-42.8	175.4	-74.6	166.1	0	0	0	111.7	Y395 P413 P414 V415 C421 G422	Y395-L418 VanDerWaalsContact OH-CD2 3.25Å; Y395-L418 WeakPolarHBondContact OH-CD2 3.26Å; P413-L418 HydrophobicContact CB-CD2 4.31Å; P413-L418 HydrophobicContact CB-CG 4Å; P413-L418 HydrophobicContact CG-CD1 4.09Å; P413-L418 HydrophobicContact CG-CD2 3.54Å; P413-L418 HydrophobicContact CG-CG 3.64Å; P413-L418 WeakPolarHBondContact O-CD1 3.27Å; P414-L418 PolarHBondContact O-N 3.06Å; P414-L418 VanDerWaalsContact O-N 3.15Å; V415-L418 PolarHBondContact O-N 3.16Å; L418-C421 PolarHBondContact O-N 3.43Å; L418-G422 PolarHBondContact O-N 2.75Å
419	M	70.1	Confident	71.4	Confident	53 Å²	53	56.8 Å²	56.8	26%	0.261	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-38.1	175.9	-69.6	-74	-78.2	0	0	112	V415 L416 V417 T423 V488 Y492	V415-M419 HydrophobicContact CG1-CG 4.13Å; V415-M419 WeakPolarHBondContact O-CB 3.41Å; V415-M419 WeakPolarHBondContact O-CG 3.49Å; V415-M419 PolarHBondContact O-N 3.02Å; L416-M419 PolarHBondContact O-N 3.33Å; V417-M419 VanDerWaalsContact C-N 3.26Å; V417-M419 PolarHBondContact O-N 3.35Å; M419-T423 VanDerWaalsContact O-CB 3.25Å; M419-T423 WeakPolarHBondContact O-CB 3.25Å; M419-T423 PolarHBondContact O-N 2.89Å; M419-T423 PolarHBondContact O-OG1 3.09Å; M419-V488 HydrophobicContact CE-CG1 3.28Å; M419-Y492 HydrophobicContact CE-CD2 4.45Å
420	A	74.2	Confident	72.8	Confident	60 Å²	60	48.8 Å²	48.8	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-45.5	175.4	0	0	0	0	0	111.7	L416 V417 T423 A424	L416-A420 WeakPolarHBondContact O-CB 3.21Å; L416-A420 PolarHBondContact O-N 3.33Å; V417-A420 WeakPolarHBondContact O-CB 3.3Å; V417-A420 PolarHBondContact O-N 2.95Å; A420-T423 PolarHBondContact O-N 3.17Å; A420-A424 VanDerWaalsContact O-CB 3.31Å; A420-A424 WeakPolarHBondContact O-CB 3.17Å; A420-A424 PolarHBondContact O-N 2.84Å
421	C	77.3	Confident	74.5	Confident	15 Å²	15	44.1 Å²	44.1	10%	0.101	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-47.9	175.1	-66.8	0	0	0	0	111.2	Y395 F399 V417 L418 A424 S425	Y395-C421 HydrophobicContact CD2-CB 4.29Å; Y395-C421 HydrophobicContact CE2-CB 4.06Å; F399-C421 HydrophobicContact CB-CB 3.73Å; V417-C421 WeakPolarHBondContact O-CB 3.37Å; V417-C421 PolarHBondContact O-N 3.08Å; V417-C421 PolarHBondContact O-SG 2.93Å; L418-C421 PolarHBondContact O-N 3.43Å; C421-A424 PolarHBondContact O-N 3.05Å; C421-S425 WeakPolarHBondContact O-CB 3.4Å; C421-S425 PolarHBondContact O-N 3.09Å; C421-S425 PolarHBondContact O-OG 3.48Å
422	G	74.4	Confident	76	Confident	3 Å²	3	43.4 Å²	43.4	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-41.9	176.9	0	0	0	0	0	112.6	L418 A424 S425 S426	L418-G422 PolarHBondContact O-N 2.75Å; G422-A424 VanDerWaalsContact C-N 3.31Å; G422-A424 PolarHBondContact O-N 2.94Å; G422-S425 WeakPolarHBondContact CA-OG 3.25Å; G422-S425 PolarHBondContact O-N 3.43Å; G422-S425 PolarHBondContact O-OG 2.87Å; G422-S426 WeakPolarHBondContact O-CB 3.5Å; G422-S426 PolarHBondContact O-N 3.14Å; G422-S426 PolarHBondContact O-OG 2.98Å
423	T	75.9	Confident	77.1	Confident	14 Å²	14	38.4 Å²	38.4	9%	0.086	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-40.1	175.2	-59.6	0	0	0	0	111.5	M419 A420 I427 V484	M419-T423 VanDerWaalsContact O-CB 3.25Å; M419-T423 WeakPolarHBondContact O-CB 3.25Å; M419-T423 PolarHBondContact O-N 2.89Å; M419-T423 PolarHBondContact O-OG1 3.09Å; A420-T423 PolarHBondContact O-N 3.17Å; T423-I427 HydrophobicContact CG2-CD1 4.12Å; T423-I427 WeakPolarHBondContact O-CD1 3.41Å; T423-I427 VanDerWaalsContact O-CG1 3.24Å; T423-I427 WeakPolarHBondContact O-CG1 3.36Å; T423-I427 PolarHBondContact O-N 2.81Å; T423-V484 HydrophobicContact CG2-CG1 3.87Å
424	A	82	Confident	78.2	Confident	28 Å²	28	37.9 Å²	37.9	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-42.3	178.6	0	0	0	0	0	112	F399 A420 C421 G422 I427 C428	F399-A424 HydrophobicContact CD1-CB 4.18Å; F399-A424 HydrophobicContact CD2-CB 4.19Å; F399-A424 HydrophobicContact CE1-CB 3.73Å; F399-A424 HydrophobicContact CE2-CB 3.74Å; F399-A424 HydrophobicContact CG-CB 4.4Å; F399-A424 HydrophobicContact CZ-CB 3.49Å; F399-A424 VanDerWaalsContact CZ-CB 3.49Å; A420-A424 VanDerWaalsContact O-CB 3.31Å; A420-A424 WeakPolarHBondContact O-CB 3.17Å; A420-A424 PolarHBondContact O-N 2.84Å; C421-A424 PolarHBondContact O-N 3.05Å; G422-A424 VanDerWaalsContact C-N 3.31Å; G422-A424 PolarHBondContact O-N 2.94Å; A424-I427 WeakPolarHBondContact O-CB 3.34Å; A424-I427 PolarHBondContact O-N 2.83Å; A424-C428 PolarHBondContact O-N 3.46Å; A424-C428 VanDerWaalsContact O-N 3.12Å; A424-C428 PolarHBondContact O-SG 3.07Å
425	S	80.4	Confident	79.2	Confident	2 Å²	2	35 Å²	35	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-42.9	175.9	66.8	0	0	0	0	111.8	D391 C421 G422 I427 C428 G429	D391-S425 WeakPolarHBondContact O-CB 3.4Å; D391-S425 WeakPolarHBondContact OD1-CB 3.15Å; D391-S425 PolarHBondContact OD1-OG 3.19Å; C421-S425 WeakPolarHBondContact O-CB 3.4Å; C421-S425 PolarHBondContact O-N 3.09Å; C421-S425 PolarHBondContact O-OG 3.48Å; G422-S425 WeakPolarHBondContact CA-OG 3.25Å; G422-S425 PolarHBondContact O-N 3.43Å; G422-S425 PolarHBondContact O-OG 2.87Å; S425-I427 VanDerWaalsContact C-N 3.29Å; S425-I427 PolarHBondContact O-N 3.02Å; S425-C428 WeakPolarHBondContact O-CA 3.49Å; S425-C428 VanDerWaalsContact O-CB 3.32Å; S425-C428 WeakPolarHBondContact O-CB 3.46Å; S425-C428 PolarHBondContact O-N 2.9Å; S425-G429 PolarHBondContact O-N 3.34Å
426	S	76.6	Confident	80.1	Confident	1 Å²	1	33 Å²	33	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-31.9	177.4	-56	0	0	0	0	112.1	I201 Y387 D391 G422 G429 Q430	I201-S426 WeakPolarHBondContact CB-OG 3.17Å; I201-S426 PolarHBondContact O-OG 2.77Å; Y387-S426 WeakPolarHBondContact OH-CB 3.4Å; D391-S426 WeakPolarHBondContact OD1-CA 3.25Å; D391-S426 PolarHBondContact OD1-N 2.86Å; D391-S426 PolarHBondContact OD1-OG 3.47Å; D391-S426 PolarHBondContact OD2-OG 3.4Å; D391-S426 VanDerWaalsContact OD2-OG 3.13Å; G422-S426 WeakPolarHBondContact O-CB 3.5Å; G422-S426 PolarHBondContact O-N 3.14Å; G422-S426 PolarHBondContact O-OG 2.98Å; S426-G429 PolarHBondContact O-N 3.43Å; S426-Q430 VanDerWaalsContact O-CB 3.28Å; S426-Q430 WeakPolarHBondContact O-CB 3.01Å; S426-Q430 VanDerWaalsContact O-CG 3.22Å; S426-Q430 WeakPolarHBondContact O-CG 3.32Å; S426-Q430 PolarHBondContact O-N 2.72Å; S426-Q430 PolarHBondContact O-NE2 3.31Å
427	I	82.5	Confident	81	Confident	52 Å²	52	28.1 Å²	28.1	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-63	-43.1	170.5	-76.4	166.2	0	0	0	110.8	T423 A424 S425 Q430 L431 F481	T423-I427 HydrophobicContact CG2-CD1 4.12Å; T423-I427 WeakPolarHBondContact O-CD1 3.41Å; T423-I427 VanDerWaalsContact O-CG1 3.24Å; T423-I427 WeakPolarHBondContact O-CG1 3.36Å; T423-I427 PolarHBondContact O-N 2.81Å; A424-I427 WeakPolarHBondContact O-CB 3.34Å; A424-I427 PolarHBondContact O-N 2.83Å; S425-I427 VanDerWaalsContact C-N 3.29Å; S425-I427 PolarHBondContact O-N 3.02Å; I427-Q430 PolarHBondContact O-N 3.11Å; I427-L431 HydrophobicContact CG2-CD1 4.32Å; I427-L431 WeakPolarHBondContact O-CG 3.45Å; I427-L431 PolarHBondContact O-N 3.28Å; I427-F481 HydrophobicContact CB-CE1 4.34Å; I427-F481 HydrophobicContact CG1-CD1 4.22Å; I427-F481 HydrophobicContact CG1-CE1 4.22Å; I427-F481 HydrophobicContact CG2-CD1 4.31Å; I427-F481 HydrophobicContact CG2-CE1 3.64Å; I427-F481 HydrophobicContact CG2-CZ 4.03Å
428	C	85.2	Confident	81.7	Confident	47 Å²	47	26.5 Å²	26.5	32%	0.318	16%	0.164	S	C	.	.	H	α-helix	trans	-63.4	-46.1	175.4	-67.6	0	0	0	0	111.9	I390 A394 A424 S425 Q430 L431 A432	I390-C428 HydrophobicContact CG2-CB 4.21Å; A394-C428 HydrophobicContact CB-CB 4.2Å; A424-C428 PolarHBondContact O-N 3.46Å; A424-C428 VanDerWaalsContact O-N 3.12Å; A424-C428 PolarHBondContact O-SG 3.07Å; S425-C428 WeakPolarHBondContact O-CA 3.49Å; S425-C428 VanDerWaalsContact O-CB 3.32Å; S425-C428 WeakPolarHBondContact O-CB 3.46Å; S425-C428 PolarHBondContact O-N 2.9Å; C428-Q430 VanDerWaalsContact C-N 3.33Å; C428-Q430 PolarHBondContact O-N 2.84Å; C428-L431 WeakPolarHBondContact O-CB 3.31Å; C428-L431 PolarHBondContact O-N 3.37Å; C428-A432 PolarHBondContact O-N 3.34Å
429	G	81	Confident	82.4	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-42.3	174.6	0	0	0	0	0	112.2	Y387 S425 S426 A432 S433	Y387-G429 VanDerWaalsContact CD2-C 3.4Å; S425-G429 PolarHBondContact O-N 3.34Å; S426-G429 PolarHBondContact O-N 3.43Å; G429-A432 PolarHBondContact O-N 3.4Å; G429-S433 WeakPolarHBondContact O-CB 3.47Å; G429-S433 PolarHBondContact O-N 2.83Å; G429-S433 VanDerWaalsContact O-N 3.08Å; G429-S433 PolarHBondContact O-OG 3.21Å; G429-S433 VanDerWaalsContact O-OG 3.08Å
430	Q	83.1	Confident	83.3	Confident	14 Å²	14	23.3 Å²	23.3	7%	0.065	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-41.2	175.8	-80.4	171.7	51.7	0	0	111.8	Y387 S426 I427 C428 A432 S433 Y434 N480	Y387-Q430 HydrophobicContact CD2-CG 4.36Å; Y387-Q430 HydrophobicContact CE2-CG 3.82Å; S426-Q430 VanDerWaalsContact O-CB 3.28Å; S426-Q430 WeakPolarHBondContact O-CB 3.01Å; S426-Q430 VanDerWaalsContact O-CG 3.22Å; S426-Q430 WeakPolarHBondContact O-CG 3.32Å; S426-Q430 PolarHBondContact O-N 2.72Å; S426-Q430 PolarHBondContact O-NE2 3.31Å; I427-Q430 PolarHBondContact O-N 3.11Å; C428-Q430 VanDerWaalsContact C-N 3.33Å; C428-Q430 PolarHBondContact O-N 2.84Å; Q430-A432 VanDerWaalsContact C-N 3.35Å; Q430-A432 PolarHBondContact O-N 2.62Å; Q430-S433 PolarHBondContact O-N 2.73Å; Q430-Y434 WeakPolarHBondContact O-CA 3.19Å; Q430-Y434 VanDerWaalsContact O-CB 3.24Å; Q430-Y434 WeakPolarHBondContact O-CB 3.3Å; Q430-Y434 PolarHBondContact O-N 3.42Å; Q430-N480 PolarHBondContact OE1-ND2 3.12Å
431	L	88	Confident	84	Confident	62 Å²	62	21.1 Å²	21.1	33%	0.325	13%	0.126	S	C	.	.	H	α-helix	trans	-60.1	-43.9	177.4	-81.6	170.3	0	0	0	112	I427 C428 Y474 L477 F481	I427-L431 HydrophobicContact CG2-CD1 4.32Å; I427-L431 WeakPolarHBondContact O-CG 3.45Å; I427-L431 PolarHBondContact O-N 3.28Å; C428-L431 WeakPolarHBondContact O-CB 3.31Å; C428-L431 PolarHBondContact O-N 3.37Å; L431-Y474 VanDerWaalsContact O-CE1 3.32Å; L431-Y474 WeakPolarHBondContact O-CE1 3.43Å; L431-L477 HydrophobicContact CD2-CD1 4.2Å; L431-L477 HydrophobicContact CD2-CD2 3.73Å; L431-F481 HydrophobicContact CD1-CZ 4.32Å; L431-F481 HydrophobicContact CD2-CE2 4.34Å; L431-F481 HydrophobicContact CD2-CZ 3.67Å; L431-F481 HydrophobicContact CG-CZ 3.85Å
432	A	86.8	Confident	84.5	Confident	36 Å²	36	21.1 Å²	21.1	30%	0.298	12%	0.123	S	C	.	.	H	α-helix	trans	-68.5	-36.5	179	0	0	0	0	0	112.7	I390 C428 G429 Q430 P435	I390-A432 HydrophobicContact CD1-CB 3.16Å; I390-A432 HydrophobicContact CG1-CB 4.43Å; C428-A432 PolarHBondContact O-N 3.34Å; G429-A432 PolarHBondContact O-N 3.4Å; Q430-A432 VanDerWaalsContact C-N 3.35Å; Q430-A432 PolarHBondContact O-N 2.62Å; A432-P435 WeakPolarHBondContact O-CD 3.18Å
433	S	85	Confident	85.1	Confident	4 Å²	4	21.5 Å²	21.5	3%	0.028	13%	0.125	C	C	.	.	H	α-helix	trans	-92	-9.3	-174.8	-54	0	0	0	0	113.7	G383 Y387 G429 Q430 F436 S437	G383-S433 WeakPolarHBondContact O-CB 3.43Å; G383-S433 PolarHBondContact O-OG 3.01Å; G383-S433 VanDerWaalsContact O-OG 3.11Å; Y387-S433 WeakPolarHBondContact CA-OG 3.28Å; Y387-S433 WeakPolarHBondContact CB-OG 3.47Å; Y387-S433 PolarHBondContact N-OG 3.44Å; G429-S433 WeakPolarHBondContact O-CB 3.47Å; G429-S433 PolarHBondContact O-N 2.83Å; G429-S433 VanDerWaalsContact O-N 3.08Å; G429-S433 PolarHBondContact O-OG 3.21Å; G429-S433 VanDerWaalsContact O-OG 3.08Å; Q430-S433 PolarHBondContact O-N 2.73Å; S433-F436 WeakPolarHBondContact O-CB 3.26Å; S433-F436 PolarHBondContact O-N 3.07Å; S433-S437 PolarHBondContact O-N 2.99Å; S433-S437 VanDerWaalsContact O-N 3.17Å; S433-S437 PolarHBondContact O-OG 2.91Å
434	Y	87.2	Confident	85.6	Confident	5 Å²	5	21 Å²	21	2%	0.02	12%	0.122	C	C	.	.	H	α-helix	trans	-53.8	-40.8	-176.6	-155.8	-91.3	0	0	0	114.3	Q250 Q430 F436 S437 L438 L473 Y474 R475 G476 L477 N480	Q250-Y434 PolarHBondContact NE2-OH 3.45Å; Q430-Y434 WeakPolarHBondContact O-CA 3.19Å; Q430-Y434 VanDerWaalsContact O-CB 3.24Å; Q430-Y434 WeakPolarHBondContact O-CB 3.3Å; Q430-Y434 PolarHBondContact O-N 3.42Å; Y434-F436 VanDerWaalsContact C-N 3.28Å; Y434-F436 PolarHBondContact O-N 3.47Å; Y434-S437 WeakPolarHBondContact O-CB 3.4Å; Y434-S437 PolarHBondContact O-N 3.4Å; Y434-S437 VanDerWaalsContact O-N 3.15Å; Y434-L438 PolarHBondContact O-N 3.23Å; Y434-L473 VanDerWaalsContact CD1-O 3.25Å; Y434-L473 WeakPolarHBondContact CD1-O 3.24Å; Y434-Y474 HydrophobicContact CD1-CD1 4.25Å; Y434-Y474 HydrophobicContact CG-CD1 4.43Å; Y434-R475 WeakPolarHBondContact CE1-O 3.25Å; Y434-R475 PolarHBondContact OH-O 3.38Å; Y434-G476 WeakPolarHBondContact OH-CA 2.97Å; Y434-G476 PolarHBondContact OH-O 3.27Å; Y434-L477 HydrophobicContact CD2-CD1 3.51Å; Y434-L477 HydrophobicContact CE2-CB 4.42Å; Y434-L477 HydrophobicContact CE2-CD1 3.6Å; Y434-L477 HydrophobicContact CG-CD1 4.01Å; Y434-L477 PolarHBondContact OH-N 3.26Å; Y434-L477 VanDerWaalsContact OH-N 3.15Å; Y434-N480 HydrophobicContact CE2-CB 4.35Å
435	P	90.3	Very high	85.7	Confident	13 Å²	13	20.8 Å²	20.8	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-57.4	-39.8	177.3	-27.1	37	0	0	0	113.1	A432 V439 F461 L473 Y474	A432-P435 WeakPolarHBondContact O-CD 3.18Å; P435-V439 WeakPolarHBondContact O-CG2 3.47Å; P435-V439 PolarHBondContact O-N 2.89Å; P435-V439 VanDerWaalsContact O-N 3.12Å; P435-F461 HydrophobicContact CB-CE1 3.92Å; P435-F461 HydrophobicContact CB-CZ 4.39Å; P435-L473 HydrophobicContact CB-CB 4.2Å; P435-L473 HydrophobicContact CB-CD1 4.3Å; P435-L473 HydrophobicContact CB-CD2 4.23Å; P435-L473 HydrophobicContact CB-CG 4.49Å; P435-L473 HydrophobicContact CG-CB 4.29Å; P435-Y474 HydrophobicContact CG-CE2 4.44Å
436	F	88.2	Confident	85.6	Confident	47 Å²	47	23.2 Å²	23.2	21%	0.206	13%	0.129	C	C	.	.	H	α-helix	trans	-69.7	-42	176.4	-66.7	-75	0	0	0	111.5	P379 I382 S433 Y434 L438 V439 R440 F461	P379-F436 HydrophobicContact CB-CD1 4.45Å; I382-F436 HydrophobicContact CB-CD1 4.31Å; I382-F436 HydrophobicContact CB-CE1 4.25Å; I382-F436 HydrophobicContact CG2-CD1 3.95Å; I382-F436 HydrophobicContact CG2-CE1 3.48Å; I382-F436 VanDerWaalsContact CG2-CE1 3.48Å; I382-F436 HydrophobicContact CG2-CE2 4.27Å; I382-F436 HydrophobicContact CG2-CZ 3.66Å; S433-F436 WeakPolarHBondContact O-CB 3.26Å; S433-F436 PolarHBondContact O-N 3.07Å; Y434-F436 VanDerWaalsContact C-N 3.28Å; Y434-F436 PolarHBondContact O-N 3.47Å; F436-L438 VanDerWaalsContact C-N 3.33Å; F436-L438 PolarHBondContact O-N 3.3Å; F436-V439 PolarHBondContact O-N 3.22Å; F436-R440 WeakPolarHBondContact O-CB 3.37Å; F436-R440 PolarHBondContact O-N 3.14Å; F436-F461 AromaticContact CD1-CE2 3.98Å; F436-F461 HydrophobicContact CD1-CE2 3.98Å; F436-F461 AromaticContact CD1-CZ 3.74Å; F436-F461 HydrophobicContact CD1-CZ 3.74Å; F436-F461 HydrophobicContact CE1-CE2 4Å; F436-F461 AromaticContact CE1-CZ 3.85Å; F436-F461 HydrophobicContact CE1-CZ 3.85Å; F436-F461 HydrophobicContact CG-CZ 4.31Å
437	S	85.6	Confident	85.1	Confident	45 Å²	45	25.1 Å²	25.1	32%	0.315	14%	0.144	S	C	.	.	H	α-helix	trans	-59.5	-41.5	174.6	-63.2	0	0	0	0	112.2	S433 Y434 R440 T441	S433-S437 PolarHBondContact O-N 2.99Å; S433-S437 VanDerWaalsContact O-N 3.17Å; S433-S437 PolarHBondContact O-OG 2.91Å; Y434-S437 WeakPolarHBondContact O-CB 3.4Å; Y434-S437 PolarHBondContact O-N 3.4Å; Y434-S437 VanDerWaalsContact O-N 3.15Å; S437-R440 WeakPolarHBondContact O-CB 3.28Å; S437-R440 PolarHBondContact O-N 3.5Å; S437-T441 PolarHBondContact O-N 3.47Å; S437-T441 PolarHBondContact O-OG1 3.26Å; S437-T441 VanDerWaalsContact O-OG1 3.11Å
438	L	88.3	Confident	84	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-48.4	175.3	-179.2	75.5	0	0	0	111.4	Q250 Y434 F436 R440 T441 R442 I464 G472 L473	Q250-L438 HydrophobicContact CB-CD1 3.65Å; Q250-L438 HydrophobicContact CG-CD1 3.6Å; Y434-L438 PolarHBondContact O-N 3.23Å; F436-L438 VanDerWaalsContact C-N 3.33Å; F436-L438 PolarHBondContact O-N 3.3Å; L438-R440 VanDerWaalsContact C-N 3.31Å; L438-R440 PolarHBondContact O-N 3.37Å; L438-T441 PolarHBondContact O-N 3.28Å; L438-R442 PolarHBondContact O-N 2.88Å; L438-I464 HydrophobicContact CD2-CD1 4.05Å; L438-G472 WeakPolarHBondContact CD2-O 3.17Å; L438-L473 WeakPolarHBondContact CD2-O 3.47Å
439	V	89.1	Confident	82.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-40.4	-179.9	170.9	0	0	0	0	110.9	P379 P435 F436 R442 L443 M457 Q460 F461 I464	P379-V439 HydrophobicContact CB-CG1 4.28Å; P379-V439 HydrophobicContact CG-CG1 4.25Å; P435-V439 WeakPolarHBondContact O-CG2 3.47Å; P435-V439 PolarHBondContact O-N 2.89Å; P435-V439 VanDerWaalsContact O-N 3.12Å; F436-V439 PolarHBondContact O-N 3.22Å; V439-R442 PolarHBondContact O-N 2.94Å; V439-L443 HydrophobicContact CG1-CD1 3.93Å; V439-L443 HydrophobicContact CG1-CG 4.42Å; V439-L443 WeakPolarHBondContact O-CB 3.23Å; V439-L443 VanDerWaalsContact O-CG 3.31Å; V439-L443 WeakPolarHBondContact O-CG 3.48Å; V439-L443 PolarHBondContact O-N 2.87Å; V439-M457 HydrophobicContact CG1-CG 3.97Å; V439-Q460 HydrophobicContact CG1-CB 3.8Å; V439-Q460 HydrophobicContact CG1-CG 4.34Å; V439-Q460 HydrophobicContact CG2-CB 4.36Å; V439-F461 HydrophobicContact CB-CE2 4.13Å; V439-F461 HydrophobicContact CB-CZ 4.3Å; V439-F461 HydrophobicContact CG1-CD2 4.33Å; V439-F461 HydrophobicContact CG1-CE2 4.17Å; V439-F461 HydrophobicContact CG2-CD1 3.98Å; V439-F461 HydrophobicContact CG2-CD2 3.88Å; V439-F461 HydrophobicContact CG2-CE1 3.83Å; V439-F461 HydrophobicContact CG2-CE2 3.73Å; V439-F461 HydrophobicContact CG2-CG 4Å; V439-F461 HydrophobicContact CG2-CZ 3.71Å; V439-I464 HydrophobicContact CG2-CD1 3.76Å
440	R	88.8	Confident	81	Confident	42 Å²	42	38.1 Å²	38.1	16%	0.158	21%	0.21	C	C	.	.	H	α-helix	trans	-54.5	-57.3	171.1	175.2	-172	176.4	-162.4	-10.5	110.5	E339 P379 N380 F436 S437 L438 R442 L443 Q444	E339-R440 IonicContact OE1-CZ 2.68Å; E339-R440 IonicContact OE1-NH2 2.98Å; E339-R440 PolarHBondContact OE1-NH2 3.31Å; E339-R440 IonicContact OE2-CZ 3.69Å; E339-R440 IonicContact OE2-NH2 3.29Å; E339-R440 PolarHBondContact OE2-NH2 2.87Å; P379-R440 HydrophobicContact CB-CB 4.5Å; P379-R440 HydrophobicContact CG-CB 4.32Å; N380-R440 HydrophobicContact CB-CG 4.35Å; N380-R440 WeakPolarHBondContact OD1-CD 3.3Å; N380-R440 PolarHBondContact OD1-NE 3.09Å; N380-R440 PolarHBondContact OD1-NH1 3.32Å; F436-R440 WeakPolarHBondContact O-CB 3.37Å; F436-R440 PolarHBondContact O-N 3.14Å; S437-R440 WeakPolarHBondContact O-CB 3.28Å; S437-R440 PolarHBondContact O-N 3.5Å; L438-R440 VanDerWaalsContact C-N 3.31Å; L438-R440 PolarHBondContact O-N 3.37Å; R440-R442 VanDerWaalsContact C-N 3.32Å; R440-R442 PolarHBondContact O-N 2.82Å; R440-L443 PolarHBondContact O-N 2.98Å; R440-L443 VanDerWaalsContact O-N 3.13Å; R440-Q444 HydrophobicContact CG-CG 4.37Å; R440-Q444 VanDerWaalsContact NE-NE2 3.2Å; R440-Q444 VanDerWaalsContact O-CG 3.29Å; R440-Q444 WeakPolarHBondContact O-CG 3.43Å; R440-Q444 PolarHBondContact O-N 2.92Å
441	T	87.5	Confident	79.2	Confident	14 Å²	14	44 Å²	44	9%	0.086	25%	0.25	C	C	.	.	H	α-helix	trans	-58	-42.9	-178.5	-56	0	0	0	0	112	V247 Q250 V251 T343 S437 L438 L443 Q444 A445	V247-T441 HydrophobicContact CG1-CG2 4Å; V247-T441 HydrophobicContact CG2-CG2 4.48Å; Q250-T441 HydrophobicContact CB-CG2 4.09Å; Q250-T441 VanDerWaalsContact OE1-CB 3.27Å; Q250-T441 VanDerWaalsContact OE1-CG2 3.28Å; Q250-T441 PolarHBondContact OE1-OG1 2.86Å; V251-T441 HydrophobicContact CG2-CG2 4Å; T343-T441 HydrophobicContact CG2-CG2 3.95Å; S437-T441 PolarHBondContact O-N 3.47Å; S437-T441 PolarHBondContact O-OG1 3.26Å; S437-T441 VanDerWaalsContact O-OG1 3.11Å; L438-T441 PolarHBondContact O-N 3.28Å; T441-L443 PolarHBondContact O-N 3.5Å; T441-Q444 PolarHBondContact O-N 2.82Å; T441-A445 VanDerWaalsContact O-CB 3.28Å; T441-A445 WeakPolarHBondContact O-CB 3.39Å; T441-A445 PolarHBondContact O-N 3.23Å
442	R	88.8	Confident	77.5	Confident	14 Å²	14	44 Å²	44	5%	0.053	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-37.7	178	-75.2	-173.3	174.8	-157.1	3.9	113	Q250 L438 V439 R440 R446 E468	Q250-R442 WeakPolarHBondContact O-CG 3.32Å; Q250-R442 PolarHBondContact O-NE 2.68Å; Q250-R442 PolarHBondContact O-NH2 3.3Å; L438-R442 PolarHBondContact O-N 2.88Å; V439-R442 PolarHBondContact O-N 2.94Å; R440-R442 VanDerWaalsContact C-N 3.32Å; R440-R442 PolarHBondContact O-N 2.82Å; R442-R446 WeakPolarHBondContact O-CD 3.38Å; R442-R446 VanDerWaalsContact O-CG 3.27Å; R442-R446 WeakPolarHBondContact O-CG 3.27Å; R442-E468 IonicContact CZ-OE1 3.76Å; R442-E468 VanDerWaalsContact CZ-OE1 3.29Å; R442-E468 IonicContact CZ-OE2 3.07Å; R442-E468 IonicContact NH1-OE1 2.97Å; R442-E468 PolarHBondContact NH1-OE1 2.98Å; R442-E468 IonicContact NH1-OE2 2.69Å; R442-E468 VanDerWaalsContact NH2-CD 3.28Å; R442-E468 IonicContact NH2-OE1 2.83Å; R442-E468 PolarHBondContact NH2-OE1 3.31Å; R442-E468 IonicContact NH2-OE2 2.7Å; R442-E468 PolarHBondContact NH2-OE2 2.92Å
443	L	86.8	Confident	75.8	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-39.8	175.4	-72.4	172.1	0	0	0	111.9	P379 V439 R440 T441 R446 Q460	P379-L443 HydrophobicContact CG-CD1 3.96Å; V439-L443 HydrophobicContact CG1-CD1 3.93Å; V439-L443 HydrophobicContact CG1-CG 4.42Å; V439-L443 WeakPolarHBondContact O-CB 3.23Å; V439-L443 VanDerWaalsContact O-CG 3.31Å; V439-L443 WeakPolarHBondContact O-CG 3.48Å; V439-L443 PolarHBondContact O-N 2.87Å; R440-L443 PolarHBondContact O-N 2.98Å; R440-L443 VanDerWaalsContact O-N 3.13Å; T441-L443 PolarHBondContact O-N 3.5Å; L443-R446 PolarHBondContact O-N 3.42Å; L443-Q460 HydrophobicContact CD2-CG 3.56Å; L443-Q460 HydrophobicContact CG-CG 3.9Å
444	Q	86.5	Confident	74.5	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-38.5	177.4	-69.3	-178.1	-13.9	0	0	112.5	Y336 V340 T343 R344 R375 R440 T441 R446	Y336-Q444 PolarHBondContact OH-NE2 3.34Å; V340-Q444 HydrophobicContact CG2-CG 3.97Å; T343-Q444 HydrophobicContact CG2-CB 3.87Å; T343-Q444 PolarHBondContact OG1-OE1 2.85Å; R344-Q444 WeakPolarHBondContact CG-O 3Å; R344-Q444 PolarHBondContact NE-O 3.35Å; R344-Q444 VanDerWaalsContact NE-O 3.08Å; R375-Q444 VanDerWaalsContact O-CG 3.3Å; R375-Q444 WeakPolarHBondContact O-CG 3.46Å; R440-Q444 HydrophobicContact CG-CG 4.37Å; R440-Q444 VanDerWaalsContact NE-NE2 3.2Å; R440-Q444 VanDerWaalsContact O-CG 3.29Å; R440-Q444 WeakPolarHBondContact O-CG 3.43Å; R440-Q444 PolarHBondContact O-N 2.92Å; T441-Q444 PolarHBondContact O-N 2.82Å; Q444-R446 VanDerWaalsContact C-N 3.29Å; Q444-R446 PolarHBondContact O-N 3.4Å
445	A	84.7	Confident	73.5	Confident	23 Å²	23	57.1 Å²	57.1	19%	0.19	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-27	-179.6	0	0	0	0	0	114.4	V251 L347 T441 A447	V251-A445 HydrophobicContact CB-CB 4.44Å; V251-A445 HydrophobicContact CG1-CB 3.96Å; V251-A445 HydrophobicContact CG2-CB 3.58Å; L347-A445 HydrophobicContact CD1-CB 3.3Å; T441-A445 VanDerWaalsContact O-CB 3.28Å; T441-A445 WeakPolarHBondContact O-CB 3.39Å; T441-A445 PolarHBondContact O-N 3.23Å; A445-A447 PolarHBondContact O-N 3.47Å
446	R	77	Confident	73.1	Confident	53 Å²	53	60.1 Å²	60.1	20%	0.2	33%	0.328	C	S	.	.			trans	-78.2	117.4	-170.9	-77	167.8	174	-130.3	-5.8	112.5	R344 R375 R442 L443 Q444 A454	R344-R446 PolarHBondContact NH2-O 3.37Å; R375-R446 PolarHBondContact NH1-O 2.91Å; R375-R446 VanDerWaalsContact NH1-O 3.12Å; R442-R446 WeakPolarHBondContact O-CD 3.38Å; R442-R446 VanDerWaalsContact O-CG 3.27Å; R442-R446 WeakPolarHBondContact O-CG 3.27Å; L443-R446 PolarHBondContact O-N 3.42Å; Q444-R446 VanDerWaalsContact C-N 3.29Å; Q444-R446 PolarHBondContact O-N 3.4Å; R446-A454 PolarHBondContact NH1-O 3.03Å; R446-A454 VanDerWaalsContact NH1-O 3.08Å
447	A	67	Low	72.8	Confident	41 Å²	41	60 Å²	60	34%	0.339	33%	0.329	S	S	.	.			trans	-81.1	140.5	163	0	0	0	0	0	110.4	E368 A445 S449 T450	E368-A447 VanDerWaalsContact OE1-CA 3.24Å; E368-A447 WeakPolarHBondContact OE1-CA 3.46Å; E368-A447 VanDerWaalsContact OE1-CB 3.29Å; E368-A447 WeakPolarHBondContact OE1-CB 3.48Å; A445-A447 PolarHBondContact O-N 3.47Å; A447-S449 PolarHBondContact O-N 3.4Å; A447-T450 PolarHBondContact O-N 3.01Å; A447-T450 PolarHBondContact O-OG1 3.39Å
448	R	59.3	Low	72.8	Confident	169 Å²	169	61.7 Å²	61.7	64%	0.638	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-17.5	-179.9	-88	-178.2	70.8	120.1	-2.7	115	E368 T450	E368-R448 HydrophobicContact CG-CB 4.13Å; E368-R448 HydrophobicContact CG-CG 4.33Å; E368-R448 PolarHBondContact OE2-N 3.37Å; R448-T450 PolarHBondContact O-N 3.39Å
449	S	50.4	Low	72.7	Confident	107 Å²	107	62.6 Å²	62.6	75%	0.748	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	0.2	-176.2	-49.4	0	0	0	0	115.4	A447	A447-S449 PolarHBondContact O-N 3.4Å
450	T	53.4	Low	72.6	Confident	95 Å²	95	62.6 Å²	62.6	58%	0.583	35%	0.345	S	S	*	.	S	Bend	trans	-114.7	106.3	173.3	39.8	0	0	0	0	110.8	A447 R448 C452	A447-T450 PolarHBondContact O-N 3.01Å; A447-T450 PolarHBondContact O-OG1 3.39Å; R448-T450 PolarHBondContact O-N 3.39Å; T450-C452 VanDerWaalsContact C-N 3.35Å; T450-C452 PolarHBondContact O-N 2.77Å
451	P	45.6	Very low	72.6	Confident	137 Å²	137	62.5 Å²	62.5	89%	0.89	35%	0.346	S	S	*	.			trans	-73.1	88.4	177.7	29	-31.7	0	0	0	109.3
452	C	51.9	Low	72.6	Confident	62 Å²	62	70 Å²	70	42%	0.419	37%	0.372	S	S	.	.			trans	-129.4	131	171.6	-169.4	0	0	0	0	109	T450 A454	T450-C452 VanDerWaalsContact C-N 3.35Å; T450-C452 PolarHBondContact O-N 2.77Å; C452-A454 PolarHBondContact O-N 3.12Å
453	K	51.2	Low	72.5	Confident	211 Å²	211	73.4 Å²	73.4	92%	0.917	39%	0.386	S	S	*	.	S	Bend	trans	-57	8.5	-168.2	-66.4	-178.8	176.3	-179.8	0	116.9
454	A	58	Low	72.5	Confident	4 Å²	4	72.9 Å²	72.9	3%	0.033	38%	0.383	C	S	.	.			trans	-113.1	58.2	-172.2	0	0	0	0	0	112.5	R446 C452 T456 A459 Q460	R446-A454 PolarHBondContact NH1-O 3.03Å; R446-A454 VanDerWaalsContact NH1-O 3.08Å; C452-A454 PolarHBondContact O-N 3.12Å; A454-T456 VanDerWaalsContact C-N 3.33Å; A454-A459 HydrophobicContact CB-CB 3.81Å; A454-Q460 PolarHBondContact O-NE2 3.41Å
455	D	66.3	Low	72.6	Confident	106 Å²	106	76.6 Å²	76.6	57%	0.567	40%	0.403	S	S	*	.			trans	-82.3	-13.6	172.4	-88.6	-4.9	0	0	0	112.8	R375	R375-D455 IonicContact NH2-OD1 3.63Å; R375-D455 IonicContact NH2-OD2 3.97Å
456	T	80.5	Confident	72.7	Confident	77 Å²	77	85.7 Å²	85.7	47%	0.472	43%	0.432	S	S	.	.	S	Bend	trans	-99.9	152.7	178.6	62.8	0	0	0	0	112	A454 T458 A459 Q460	A454-T456 VanDerWaalsContact C-N 3.33Å; T456-T458 VanDerWaalsContact C-N 3.28Å; T456-T458 PolarHBondContact O-N 2.75Å; T456-T458 PolarHBondContact OG1-OG1 3.29Å; T456-A459 PolarHBondContact O-N 2.81Å; T456-A459 WeakPolarHBondContact OG1-CB 3.42Å; T456-A459 PolarHBondContact OG1-N 2.89Å; T456-Q460 PolarHBondContact O-N 3.34Å
457	M	82.3	Confident	73	Confident	44 Å²	44	86.9 Å²	86.9	22%	0.217	44%	0.443	C	S	.	.	H	α-helix	trans	-53.5	-45.6	174.5	-178.1	-175.6	77.2	0	0	111.6	I378 P379 I382 V439 A459 Q460 F461	I378-M457 HydrophobicContact CG2-SD 4.19Å; P379-M457 HydrophobicContact CB-CG 4.1Å; P379-M457 HydrophobicContact CB-SD 3.77Å; P379-M457 HydrophobicContact CG-CG 4.27Å; P379-M457 HydrophobicContact CG-SD 4.29Å; I382-M457 HydrophobicContact CD1-CE 3.9Å; I382-M457 HydrophobicContact CD1-SD 4.04Å; V439-M457 HydrophobicContact CG1-CG 3.97Å; M457-A459 PolarHBondContact O-N 3.43Å; M457-Q460 WeakPolarHBondContact O-CB 3.34Å; M457-Q460 PolarHBondContact O-N 2.93Å; M457-F461 HydrophobicContact CG-CD2 3.84Å; M457-F461 HydrophobicContact CG-CE2 3.76Å; M457-F461 WeakPolarHBondContact O-CD2 3.45Å; M457-F461 PolarHBondContact O-N 3.39Å; M457-F461 HydrophobicContact SD-CE2 4.28Å
458	T	86.1	Confident	73.8	Confident	81 Å²	81	85.5 Å²	85.5	50%	0.497	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-38.6	-179.7	52.8	0	0	0	0	112.4	T456 F461 R462	T456-T458 VanDerWaalsContact C-N 3.28Å; T456-T458 PolarHBondContact O-N 2.75Å; T456-T458 PolarHBondContact OG1-OG1 3.29Å; T458-F461 PolarHBondContact O-N 2.74Å; T458-R462 VanDerWaalsContact O-CB 3.32Å; T458-R462 WeakPolarHBondContact O-CB 3.18Å; T458-R462 PolarHBondContact O-N 3Å
459	A	86.3	Confident	75	Confident	19 Å²	19	78.8 Å²	78.8	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-69.3	-34	175.9	0	0	0	0	0	112	A454 T456 M457 Y463	A454-A459 HydrophobicContact CB-CB 3.81Å; T456-A459 PolarHBondContact O-N 2.81Å; T456-A459 WeakPolarHBondContact OG1-CB 3.42Å; T456-A459 PolarHBondContact OG1-N 2.89Å; M457-A459 PolarHBondContact O-N 3.43Å; A459-Y463 WeakPolarHBondContact O-CB 3.17Å; A459-Y463 PolarHBondContact O-N 3.37Å
460	Q	86.6	Confident	76.7	Confident	0 Å²	0	80 Å²	80	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.1	-51.3	171	-77.5	-53.5	-42.7	0	0	112.5	V439 L443 A454 T456 M457 R462 Y463 I464	V439-Q460 HydrophobicContact CG1-CB 3.8Å; V439-Q460 HydrophobicContact CG1-CG 4.34Å; V439-Q460 HydrophobicContact CG2-CB 4.36Å; L443-Q460 HydrophobicContact CD2-CG 3.56Å; L443-Q460 HydrophobicContact CG-CG 3.9Å; A454-Q460 PolarHBondContact O-NE2 3.41Å; T456-Q460 PolarHBondContact O-N 3.34Å; M457-Q460 WeakPolarHBondContact O-CB 3.34Å; M457-Q460 PolarHBondContact O-N 2.93Å; Q460-R462 VanDerWaalsContact C-N 3.29Å; Q460-R462 PolarHBondContact O-N 2.88Å; Q460-Y463 WeakPolarHBondContact O-CB 3.43Å; Q460-Y463 PolarHBondContact O-N 3.32Å; Q460-Y463 VanDerWaalsContact O-N 3.13Å; Q460-I464 VanDerWaalsContact O-CG1 3.27Å; Q460-I464 WeakPolarHBondContact O-CG1 3.42Å; Q460-I464 PolarHBondContact O-N 3.44Å
461	F	88.1	Confident	78.1	Confident	40 Å²	40	80.7 Å²	80.7	18%	0.175	41%	0.409	C	S	.	.	H	α-helix	trans	-55	-47.9	177	-89.5	-71.4	0	0	0	111.1	P435 F436 V439 M457 T458 Y463 I464 L465 L473	P435-F461 HydrophobicContact CB-CE1 3.92Å; P435-F461 HydrophobicContact CB-CZ 4.39Å; F436-F461 AromaticContact CD1-CE2 3.98Å; F436-F461 HydrophobicContact CD1-CE2 3.98Å; F436-F461 AromaticContact CD1-CZ 3.74Å; F436-F461 HydrophobicContact CD1-CZ 3.74Å; F436-F461 HydrophobicContact CE1-CE2 4Å; F436-F461 AromaticContact CE1-CZ 3.85Å; F436-F461 HydrophobicContact CE1-CZ 3.85Å; F436-F461 HydrophobicContact CG-CZ 4.31Å; V439-F461 HydrophobicContact CB-CE2 4.13Å; V439-F461 HydrophobicContact CB-CZ 4.3Å; V439-F461 HydrophobicContact CG1-CD2 4.33Å; V439-F461 HydrophobicContact CG1-CE2 4.17Å; V439-F461 HydrophobicContact CG2-CD1 3.98Å; V439-F461 HydrophobicContact CG2-CD2 3.88Å; V439-F461 HydrophobicContact CG2-CE1 3.83Å; V439-F461 HydrophobicContact CG2-CE2 3.73Å; V439-F461 HydrophobicContact CG2-CG 4Å; V439-F461 HydrophobicContact CG2-CZ 3.71Å; M457-F461 HydrophobicContact CG-CD2 3.84Å; M457-F461 HydrophobicContact CG-CE2 3.76Å; M457-F461 WeakPolarHBondContact O-CD2 3.45Å; M457-F461 PolarHBondContact O-N 3.39Å; M457-F461 HydrophobicContact SD-CE2 4.28Å; T458-F461 PolarHBondContact O-N 2.74Å; F461-Y463 VanDerWaalsContact C-N 3.35Å; F461-Y463 PolarHBondContact O-N 3.01Å; F461-I464 PolarHBondContact O-N 2.82Å; F461-L465 WeakPolarHBondContact O-CB 3.21Å; F461-L465 WeakPolarHBondContact O-CG 3.34Å; F461-L465 PolarHBondContact O-N 3.11Å; F461-L473 HydrophobicContact CD1-CD2 3.87Å; F461-L473 HydrophobicContact CE1-CD2 3.93Å
462	R	88.9	Confident	79.9	Confident	171 Å²	171	74.2 Å²	74.2	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-63.1	-39.5	177.9	-165.2	-177.3	-61.2	151.2	0.2	112.4	T458 Q460 R466	T458-R462 VanDerWaalsContact O-CB 3.32Å; T458-R462 WeakPolarHBondContact O-CB 3.18Å; T458-R462 PolarHBondContact O-N 3Å; Q460-R462 VanDerWaalsContact C-N 3.29Å; Q460-R462 PolarHBondContact O-N 2.88Å; R462-R466 WeakPolarHBondContact O-CB 3.49Å; R462-R466 PolarHBondContact O-N 3.37Å
463	Y	86.2	Confident	81.6	Confident	86 Å²	86	71.6 Å²	71.6	34%	0.337	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-44.9	176.3	176.4	-86	0	0	0	111.7	A459 Q460 F461 N467	A459-Y463 WeakPolarHBondContact O-CB 3.17Å; A459-Y463 PolarHBondContact O-N 3.37Å; Q460-Y463 WeakPolarHBondContact O-CB 3.43Å; Q460-Y463 PolarHBondContact O-N 3.32Å; Q460-Y463 VanDerWaalsContact O-N 3.13Å; F461-Y463 VanDerWaalsContact C-N 3.35Å; F461-Y463 PolarHBondContact O-N 3.01Å; Y463-N467 WeakPolarHBondContact CD2-ND2 3.14Å; Y463-N467 WeakPolarHBondContact CE2-ND2 3.32Å; Y463-N467 VanDerWaalsContact O-CB 3.32Å; Y463-N467 WeakPolarHBondContact O-CB 3.14Å; Y463-N467 PolarHBondContact O-N 3.47Å; Y463-N467 PolarHBondContact O-ND2 2.93Å; Y463-N467 VanDerWaalsContact O-ND2 3.17Å
464	I	86.2	Confident	83.2	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.9	-51.2	179.3	-63.7	160.5	0	0	0	109.7	L438 V439 Q460 F461 R466 N467 E468 G469 L473	L438-I464 HydrophobicContact CD2-CD1 4.05Å; V439-I464 HydrophobicContact CG2-CD1 3.76Å; Q460-I464 VanDerWaalsContact O-CG1 3.27Å; Q460-I464 WeakPolarHBondContact O-CG1 3.42Å; Q460-I464 PolarHBondContact O-N 3.44Å; F461-I464 PolarHBondContact O-N 2.82Å; I464-R466 VanDerWaalsContact C-N 3.31Å; I464-R466 PolarHBondContact O-N 3.46Å; I464-N467 PolarHBondContact O-N 3.47Å; I464-E468 HydrophobicContact CG2-CB 4.35Å; I464-E468 CarbonylContact O-C 3.57Å; I464-E468 WeakPolarHBondContact O-CA 3.34Å; I464-E468 WeakPolarHBondContact O-CB 3.36Å; I464-E468 PolarHBondContact O-N 2.86Å; I464-G469 PolarHBondContact O-N 3.09Å; I464-L473 HydrophobicContact CB-CD2 4.23Å; I464-L473 HydrophobicContact CD1-CD2 4.19Å; I464-L473 HydrophobicContact CG2-CD2 3.75Å; I464-L473 HydrophobicContact CG2-CG 4.09Å
465	L	88.1	Confident	84.5	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-40.2	-179.2	-71.2	172.4	0	0	0	112.2	F461 G469 F470 L473	F461-L465 WeakPolarHBondContact O-CB 3.21Å; F461-L465 WeakPolarHBondContact O-CG 3.34Å; F461-L465 PolarHBondContact O-N 3.11Å; L465-G469 WeakPolarHBondContact O-CA 3.46Å; L465-G469 PolarHBondContact O-N 3.11Å; L465-F470 HydrophobicContact CD2-CD2 4.22Å; L465-L473 HydrophobicContact CD2-CD1 3.81Å; L465-L473 HydrophobicContact CD2-CG 4.38Å
466	R	86.5	Confident	85.2	Confident	213 Å²	213	62.5 Å²	62.5	80%	0.804	30%	0.303	S	S	*	.	H	α-helix	trans	-74.7	-38.9	-178.9	-174.2	173	177.7	167.6	0.7	113.8	R462 I464	R462-R466 WeakPolarHBondContact O-CB 3.49Å; R462-R466 PolarHBondContact O-N 3.37Å; I464-R466 VanDerWaalsContact C-N 3.31Å; I464-R466 PolarHBondContact O-N 3.46Å
467	N	84.6	Confident	85.4	Confident	79 Å²	79	60.1 Å²	60.1	42%	0.422	29%	0.287	S	S	.	.	H	α-helix	trans	-101.3	-23.3	-172.4	-62.8	-44.5	0	0	0	113.9	Y463 I464	Y463-N467 WeakPolarHBondContact CD2-ND2 3.14Å; Y463-N467 WeakPolarHBondContact CE2-ND2 3.32Å; Y463-N467 VanDerWaalsContact O-CB 3.32Å; Y463-N467 WeakPolarHBondContact O-CB 3.14Å; Y463-N467 PolarHBondContact O-N 3.47Å; Y463-N467 PolarHBondContact O-ND2 2.93Å; Y463-N467 VanDerWaalsContact O-ND2 3.17Å; I464-N467 PolarHBondContact O-N 3.47Å
468	E	82.9	Confident	85.5	Confident	11 Å²	11	62.1 Å²	62.1	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-121.8	-11.2	-174.7	-58.6	177.9	-153.9	0	0	113.8	V255 R442 I464 R475	V255-E468 HydrophobicContact CG2-CB 4.04Å; V255-E468 HydrophobicContact CG2-CG 4.39Å; V255-E468 WeakPolarHBondContact CG2-O 3.38Å; R442-E468 IonicContact CZ-OE1 3.76Å; R442-E468 VanDerWaalsContact CZ-OE1 3.29Å; R442-E468 IonicContact CZ-OE2 3.07Å; R442-E468 IonicContact NH1-OE1 2.97Å; R442-E468 PolarHBondContact NH1-OE1 2.98Å; R442-E468 IonicContact NH1-OE2 2.69Å; R442-E468 VanDerWaalsContact NH2-CD 3.28Å; R442-E468 IonicContact NH2-OE1 2.83Å; R442-E468 PolarHBondContact NH2-OE1 3.31Å; R442-E468 IonicContact NH2-OE2 2.7Å; R442-E468 PolarHBondContact NH2-OE2 2.92Å; I464-E468 HydrophobicContact CG2-CB 4.35Å; I464-E468 CarbonylContact O-C 3.57Å; I464-E468 WeakPolarHBondContact O-CA 3.34Å; I464-E468 WeakPolarHBondContact O-CB 3.36Å; I464-E468 PolarHBondContact O-N 2.86Å; E468-R475 IonicContact OE2-CZ 3.39Å; E468-R475 IonicContact OE2-NH1 2.65Å; E468-R475 PolarHBondContact OE2-NH1 3.45Å
469	G	85.1	Confident	85.5	Confident	28 Å²	28	58.3 Å²	58.3	29%	0.289	28%	0.278	S	S	.	.			trans	74.1	-177.4	-175.3	0	0	0	0	0	113.1	I464 L465 T471 G472	I464-G469 PolarHBondContact O-N 3.09Å; L465-G469 WeakPolarHBondContact O-CA 3.46Å; L465-G469 PolarHBondContact O-N 3.11Å; G469-T471 VanDerWaalsContact C-N 3.34Å; G469-T471 PolarHBondContact O-N 2.93Å; G469-G472 PolarHBondContact O-N 3.38Å; G469-G472 VanDerWaalsContact O-N 3.13Å
470	F	85.3	Confident	85.3	Confident	134 Å²	134	57.5 Å²	57.5	59%	0.588	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-64.5	-36.9	-179.1	-171.5	-100.6	0	0	0	112.6	L465 G472 L473 Y474	L465-F470 HydrophobicContact CD2-CD2 4.22Å; F470-G472 PolarHBondContact O-N 3.06Å; F470-L473 HydrophobicContact CD2-CD1 4.08Å; F470-L473 HydrophobicContact CE2-CD1 4.17Å; F470-L473 WeakPolarHBondContact O-CB 3.32Å; F470-L473 PolarHBondContact O-N 3.3Å; F470-Y474 HydrophobicContact CD1-CE2 4.39Å; F470-Y474 AromaticContact CE1-CE2 3.75Å; F470-Y474 HydrophobicContact CE1-CE2 3.75Å; F470-Y474 HydrophobicContact CZ-CE2 4Å
471	T	84	Confident	85.2	Confident	109 Å²	109	60.8 Å²	60.8	67%	0.669	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.4	175.5	57.4	0	0	0	0	112.7	G469 L473 Y474	G469-T471 VanDerWaalsContact C-N 3.34Å; G469-T471 PolarHBondContact O-N 2.93Å; T471-L473 PolarHBondContact O-N 2.99Å; T471-Y474 PolarHBondContact O-N 3.17Å
472	G	83.2	Confident	85.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.8	172.1	0	0	0	0	0	113.2	L438 G469 F470 Y474 R475	L438-G472 WeakPolarHBondContact CD2-O 3.17Å; G469-G472 PolarHBondContact O-N 3.38Å; G469-G472 VanDerWaalsContact O-N 3.13Å; F470-G472 PolarHBondContact O-N 3.06Å; G472-Y474 PolarHBondContact O-N 3.37Å; G472-R475 PolarHBondContact O-N 2.85Å
473	L	86.4	Confident	84.9	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-66.8	-19.5	179.5	-67.6	172.3	0	0	0	113.5	Y434 P435 L438 F461 I464 L465 F470 T471	Y434-L473 VanDerWaalsContact CD1-O 3.25Å; Y434-L473 WeakPolarHBondContact CD1-O 3.24Å; P435-L473 HydrophobicContact CB-CB 4.2Å; P435-L473 HydrophobicContact CB-CD1 4.3Å; P435-L473 HydrophobicContact CB-CD2 4.23Å; P435-L473 HydrophobicContact CB-CG 4.49Å; P435-L473 HydrophobicContact CG-CB 4.29Å; L438-L473 WeakPolarHBondContact CD2-O 3.47Å; F461-L473 HydrophobicContact CD1-CD2 3.87Å; F461-L473 HydrophobicContact CE1-CD2 3.93Å; I464-L473 HydrophobicContact CB-CD2 4.23Å; I464-L473 HydrophobicContact CD1-CD2 4.19Å; I464-L473 HydrophobicContact CG2-CD2 3.75Å; I464-L473 HydrophobicContact CG2-CG 4.09Å; L465-L473 HydrophobicContact CD2-CD1 3.81Å; L465-L473 HydrophobicContact CD2-CG 4.38Å; F470-L473 HydrophobicContact CD2-CD1 4.08Å; F470-L473 HydrophobicContact CE2-CD1 4.17Å; F470-L473 WeakPolarHBondContact O-CB 3.32Å; F470-L473 PolarHBondContact O-N 3.3Å; T471-L473 PolarHBondContact O-N 2.99Å
474	Y	86.7	Confident	84.4	Confident	73 Å²	73	52.6 Å²	52.6	29%	0.286	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-107.4	18	-175.9	-67	-88.9	0	0	0	113.4	L431 Y434 P435 F470 T471 G472 L477	L431-Y474 VanDerWaalsContact O-CE1 3.32Å; L431-Y474 WeakPolarHBondContact O-CE1 3.43Å; Y434-Y474 HydrophobicContact CD1-CD1 4.25Å; Y434-Y474 HydrophobicContact CG-CD1 4.43Å; P435-Y474 HydrophobicContact CG-CE2 4.44Å; F470-Y474 HydrophobicContact CD1-CE2 4.39Å; F470-Y474 AromaticContact CE1-CE2 3.75Å; F470-Y474 HydrophobicContact CE1-CE2 3.75Å; F470-Y474 HydrophobicContact CZ-CE2 4Å; T471-Y474 PolarHBondContact O-N 3.17Å; G472-Y474 PolarHBondContact O-N 3.37Å; Y474-L477 HydrophobicContact CD1-CD2 4.39Å; Y474-L477 VanDerWaalsContact O-CB 3.27Å; Y474-L477 WeakPolarHBondContact O-CB 3.41Å; Y474-L477 PolarHBondContact O-N 2.93Å
475	R	83.7	Confident	83.9	Confident	47 Å²	47	57.5 Å²	57.5	18%	0.177	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	132	179.6	-78.3	-167.4	169	141.2	7.7	112.8	Q250 A253 S254 Y434 E468 G472	Q250-R475 VanDerWaalsContact CG-O 3.25Å; Q250-R475 WeakPolarHBondContact CG-O 3.48Å; A253-R475 VanDerWaalsContact C-NH1 3.33Å; A253-R475 WeakPolarHBondContact O-CD 3.46Å; A253-R475 PolarHBondContact O-NH1 3.05Å; S254-R475 VanDerWaalsContact C-CZ 3.46Å; S254-R475 VanDerWaalsContact C-NH2 3.3Å; Y434-R475 WeakPolarHBondContact CE1-O 3.25Å; Y434-R475 PolarHBondContact OH-O 3.38Å; E468-R475 IonicContact OE2-CZ 3.39Å; E468-R475 IonicContact OE2-NH1 2.65Å; E468-R475 PolarHBondContact OE2-NH1 3.45Å; G472-R475 PolarHBondContact O-N 2.85Å
476	G	82.1	Confident	83.6	Confident	9 Å²	9	56.1 Å²	56.1	9%	0.093	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	9.8	-175.6	0	0	0	0	0	113.5	Y434 P479	Y434-G476 WeakPolarHBondContact OH-CA 2.97Å; Y434-G476 PolarHBondContact OH-O 3.27Å; G476-P479 VanDerWaalsContact O-CD 3.27Å; G476-P479 WeakPolarHBondContact O-CD 3.34Å; G476-P479 VanDerWaalsContact O-CG 3.23Å; G476-P479 WeakPolarHBondContact O-CG 3.24Å
477	L	84.2	Confident	83.3	Confident	28 Å²	28	47.1 Å²	47.1	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-67.9	-36.4	179.9	-170.2	69.2	0	0	0	112.3	L431 Y434 Y474 N480 F481	L431-L477 HydrophobicContact CD2-CD1 4.2Å; L431-L477 HydrophobicContact CD2-CD2 3.73Å; Y434-L477 HydrophobicContact CD2-CD1 3.51Å; Y434-L477 HydrophobicContact CE2-CB 4.42Å; Y434-L477 HydrophobicContact CE2-CD1 3.6Å; Y434-L477 HydrophobicContact CG-CD1 4.01Å; Y434-L477 PolarHBondContact OH-N 3.26Å; Y434-L477 VanDerWaalsContact OH-N 3.15Å; Y474-L477 HydrophobicContact CD1-CD2 4.39Å; Y474-L477 VanDerWaalsContact O-CB 3.27Å; Y474-L477 WeakPolarHBondContact O-CB 3.41Å; Y474-L477 PolarHBondContact O-N 2.93Å; L477-N480 WeakPolarHBondContact O-CA 3.46Å; L477-N480 VanDerWaalsContact O-CB 3.25Å; L477-N480 WeakPolarHBondContact O-CB 3.11Å; L477-N480 PolarHBondContact O-N 3.49Å; L477-N480 VanDerWaalsContact O-N 3.12Å; L477-F481 HydrophobicContact CD1-CD2 4.43Å; L477-F481 HydrophobicContact CD1-CE1 4Å; L477-F481 HydrophobicContact CD1-CE2 3.8Å; L477-F481 HydrophobicContact CD1-CZ 3.56Å; L477-F481 HydrophobicContact CD2-CD2 4.34Å; L477-F481 HydrophobicContact CD2-CE2 3.46Å; L477-F481 VanDerWaalsContact CD2-CE2 3.46Å; L477-F481 HydrophobicContact CD2-CZ 3.85Å; L477-F481 HydrophobicContact CG-CD2 3.85Å; L477-F481 HydrophobicContact CG-CE1 4.42Å; L477-F481 HydrophobicContact CG-CE2 3.34Å; L477-F481 HydrophobicContact CG-CZ 3.67Å; L477-F481 PolarHBondContact O-N 3.48Å
478	T	85.1	Confident	82.8	Confident	85 Å²	85	44.6 Å²	44.6	52%	0.521	24%	0.239	S	C	.	.	H	α-helix	trans	-55.5	-56.7	177.6	-47.7	0	0	0	0	113.6	F261 N480 F481 M482	F261-T478 HydrophobicContact CB-CG2 4.49Å; T478-N480 PolarHBondContact O-N 3.39Å; T478-F481 PolarHBondContact O-N 2.88Å; T478-M482 HydrophobicContact CG2-SD 4.11Å; T478-M482 WeakPolarHBondContact O-CG 3.01Å; T478-M482 PolarHBondContact O-N 3.03Å
479	P	85	Confident	82.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-26.4	177.4	24.5	-34.5	0	0	0	112.7	V245 K246 L249 F261 G476 K483	V245-P479 HydrophobicContact CB-CB 4.43Å; V245-P479 HydrophobicContact CG1-CB 4.36Å; V245-P479 HydrophobicContact CG1-CG 4.38Å; K246-P479 HydrophobicContact CB-CB 4.15Å; K246-P479 HydrophobicContact CB-CG 3.82Å; L249-P479 HydrophobicContact CD1-CG 4.2Å; F261-P479 HydrophobicContact CD2-CB 4.05Å; F261-P479 HydrophobicContact CD2-CG 4.37Å; F261-P479 HydrophobicContact CE2-CB 3.92Å; G476-P479 VanDerWaalsContact O-CD 3.27Å; G476-P479 WeakPolarHBondContact O-CD 3.34Å; G476-P479 VanDerWaalsContact O-CG 3.23Å; G476-P479 WeakPolarHBondContact O-CG 3.24Å; P479-K483 VanDerWaalsContact O-CB 3.3Å; P479-K483 WeakPolarHBondContact O-CB 3.46Å; P479-K483 PolarHBondContact O-N 3.14Å; P479-K483 VanDerWaalsContact O-N 3.15Å
480	N	83.6	Confident	82.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.011	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-53.1	175.8	-166.6	67.8	0	0	0	110.9	K246 Q430 Y434 L477 T478 M482 K483 V484	K246-N480 HydrophobicContact CD-CB 4.25Å; K246-N480 WeakPolarHBondContact CE-OD1 3.25Å; K246-N480 PolarHBondContact NZ-OD1 2.92Å; Q430-N480 PolarHBondContact OE1-ND2 3.12Å; Y434-N480 HydrophobicContact CE2-CB 4.35Å; L477-N480 WeakPolarHBondContact O-CA 3.46Å; L477-N480 VanDerWaalsContact O-CB 3.25Å; L477-N480 WeakPolarHBondContact O-CB 3.11Å; L477-N480 PolarHBondContact O-N 3.49Å; L477-N480 VanDerWaalsContact O-N 3.12Å; T478-N480 PolarHBondContact O-N 3.39Å; N480-M482 PolarHBondContact O-N 3.45Å; N480-K483 WeakPolarHBondContact O-CB 3.34Å; N480-K483 PolarHBondContact O-N 3.04Å; N480-V484 WeakPolarHBondContact O-CG2 3.16Å; N480-V484 PolarHBondContact O-N 3.47Å; N480-V484 VanDerWaalsContact O-N 3.14Å
481	F	83.6	Confident	82.1	Confident	69 Å²	69	42.5 Å²	42.5	30%	0.303	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-38.9	177.5	-67.1	-34.6	0	0	0	113.6	I427 L431 L477 T478 K483 V484	I427-F481 HydrophobicContact CB-CE1 4.34Å; I427-F481 HydrophobicContact CG1-CD1 4.22Å; I427-F481 HydrophobicContact CG1-CE1 4.22Å; I427-F481 HydrophobicContact CG2-CD1 4.31Å; I427-F481 HydrophobicContact CG2-CE1 3.64Å; I427-F481 HydrophobicContact CG2-CZ 4.03Å; L431-F481 HydrophobicContact CD1-CZ 4.32Å; L431-F481 HydrophobicContact CD2-CE2 4.34Å; L431-F481 HydrophobicContact CD2-CZ 3.67Å; L431-F481 HydrophobicContact CG-CZ 3.85Å; L477-F481 HydrophobicContact CD1-CD2 4.43Å; L477-F481 HydrophobicContact CD1-CE1 4Å; L477-F481 HydrophobicContact CD1-CE2 3.8Å; L477-F481 HydrophobicContact CD1-CZ 3.56Å; L477-F481 HydrophobicContact CD2-CD2 4.34Å; L477-F481 HydrophobicContact CD2-CE2 3.46Å; L477-F481 VanDerWaalsContact CD2-CE2 3.46Å; L477-F481 HydrophobicContact CD2-CZ 3.85Å; L477-F481 HydrophobicContact CG-CD2 3.85Å; L477-F481 HydrophobicContact CG-CE1 4.42Å; L477-F481 HydrophobicContact CG-CE2 3.34Å; L477-F481 HydrophobicContact CG-CZ 3.67Å; L477-F481 PolarHBondContact O-N 3.48Å; T478-F481 PolarHBondContact O-N 2.88Å; F481-K483 PolarHBondContact O-N 3.3Å; F481-V484 PolarHBondContact O-N 3.39Å
482	M	85.6	Confident	81.7	Confident	91 Å²	91	42.4 Å²	42.4	45%	0.448	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-24.4	173.9	-69.4	179.5	73.4	0	0	112.6	L242 F261 T478 N480 P486	L242-M482 HydrophobicContact CD1-CB 4.14Å; L242-M482 HydrophobicContact CD2-CB 4.29Å; F261-M482 HydrophobicContact CE1-CE 4.29Å; F261-M482 HydrophobicContact CE1-SD 4.13Å; F261-M482 HydrophobicContact CE2-SD 4.26Å; F261-M482 HydrophobicContact CZ-CE 4.17Å; F261-M482 HydrophobicContact CZ-SD 3.95Å; T478-M482 HydrophobicContact CG2-SD 4.11Å; T478-M482 WeakPolarHBondContact O-CG 3.01Å; T478-M482 PolarHBondContact O-N 3.03Å; N480-M482 PolarHBondContact O-N 3.45Å; M482-P486 WeakPolarHBondContact O-CD 3.49Å; M482-P486 VanDerWaalsContact O-CG 3.29Å; M482-P486 WeakPolarHBondContact O-CG 3.48Å
483	K	84	Confident	81.6	Confident	23 Å²	23	46.6 Å²	46.6	10%	0.1	25%	0.246	C	C	.	.	H	α-helix	trans	-84.5	-39.2	179.4	164	-178	170.5	-135.6	0	112.5	E203 T239 L242 P479 N480 F481 L485 P486 S487	E203-K483 IonicContact OE1-NZ 2.73Å; E203-K483 PolarHBondContact OE1-NZ 3.35Å; T239-K483 HydrophobicContact CG2-CG 3.96Å; L242-K483 HydrophobicContact CB-CB 4.16Å; L242-K483 HydrophobicContact CD1-CB 3.95Å; P479-K483 VanDerWaalsContact O-CB 3.3Å; P479-K483 WeakPolarHBondContact O-CB 3.46Å; P479-K483 PolarHBondContact O-N 3.14Å; P479-K483 VanDerWaalsContact O-N 3.15Å; N480-K483 WeakPolarHBondContact O-CB 3.34Å; N480-K483 PolarHBondContact O-N 3.04Å; F481-K483 PolarHBondContact O-N 3.3Å; K483-L485 PolarHBondContact O-N 3.09Å; K483-P486 WeakPolarHBondContact O-CD 3.29Å; K483-S487 WeakPolarHBondContact O-CB 3.46Å; K483-S487 PolarHBondContact O-N 3.18Å
484	V	76.9	Confident	81.5	Confident	11 Å²	11	47.4 Å²	47.4	7%	0.067	25%	0.252	C	S	.	.	H	α-helix	trans	-55	-57.2	-169.4	175.6	0	0	0	0	111.4	T423 N480 F481 S487 V488	T423-V484 HydrophobicContact CG2-CG1 3.87Å; N480-V484 WeakPolarHBondContact O-CG2 3.16Å; N480-V484 PolarHBondContact O-N 3.47Å; N480-V484 VanDerWaalsContact O-N 3.14Å; F481-V484 PolarHBondContact O-N 3.39Å; V484-S487 WeakPolarHBondContact O-CB 3.36Å; V484-S487 PolarHBondContact O-N 2.66Å; V484-V488 HydrophobicContact CG1-CG2 4.47Å; V484-V488 WeakPolarHBondContact O-CG2 3.39Å; V484-V488 PolarHBondContact O-N 3.07Å
485	L	74.6	Confident	81.2	Confident	103 Å²	103	45.6 Å²	45.6	54%	0.539	24%	0.244	S	C	.	.	H	α-helix	trans	-63.1	-50.6	-174.7	-180	68.6	0	0	0	112.8	K483 S487 V488 C489	K483-L485 PolarHBondContact O-N 3.09Å; L485-S487 VanDerWaalsContact C-N 3.28Å; L485-S487 PolarHBondContact O-N 2.8Å; L485-V488 PolarHBondContact O-N 3.39Å; L485-C489 PolarHBondContact O-N 3.38Å; L485-C489 PolarHBondContact O-SG 2.88Å
486	P	83.2	Confident	80.9	Confident	55 Å²	55	44.9 Å²	44.9	36%	0.357	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-37.9	174.2	-26.5	35.8	0	0	0	113.4	M482 K483 I490	M482-P486 WeakPolarHBondContact O-CD 3.49Å; M482-P486 VanDerWaalsContact O-CG 3.29Å; M482-P486 WeakPolarHBondContact O-CG 3.48Å; K483-P486 WeakPolarHBondContact O-CD 3.29Å; P486-I490 HydrophobicContact CB-CD1 4.47Å; P486-I490 VanDerWaalsContact O-CB 3.3Å; P486-I490 WeakPolarHBondContact O-CB 3.29Å; P486-I490 WeakPolarHBondContact O-CD1 3.41Å; P486-I490 WeakPolarHBondContact O-CG1 3.3Å; P486-I490 PolarHBondContact O-N 3.3Å
487	S	80.3	Confident	81.1	Confident	23 Å²	23	47.6 Å²	47.6	16%	0.161	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-46.4	178.8	-165.5	0	0	0	0	111.1	S235 K483 V484 L485 S491	S235-S487 PolarHBondContact OG-O 3.48Å; S235-S487 VanDerWaalsContact OG-O 3.09Å; S235-S487 PolarHBondContact OG-OG 3.2Å; K483-S487 WeakPolarHBondContact O-CB 3.46Å; K483-S487 PolarHBondContact O-N 3.18Å; V484-S487 WeakPolarHBondContact O-CB 3.36Å; V484-S487 PolarHBondContact O-N 2.66Å; L485-S487 VanDerWaalsContact C-N 3.28Å; L485-S487 PolarHBondContact O-N 2.8Å; S487-S491 VanDerWaalsContact O-CB 3.31Å; S487-S491 WeakPolarHBondContact O-CB 3.29Å; S487-S491 PolarHBondContact O-N 3.48Å; S487-S491 PolarHBondContact O-OG 3.11Å
488	V	72.5	Confident	81	Confident	27 Å²	27	47.7 Å²	47.7	16%	0.164	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-49.8	178.7	173	0	0	0	0	110.8	M419 V484 L485 I490 S491 Y492	M419-V488 HydrophobicContact CE-CG1 3.28Å; V484-V488 HydrophobicContact CG1-CG2 4.47Å; V484-V488 WeakPolarHBondContact O-CG2 3.39Å; V484-V488 PolarHBondContact O-N 3.07Å; L485-V488 PolarHBondContact O-N 3.39Å; V488-I490 PolarHBondContact O-N 3.07Å; V488-S491 PolarHBondContact O-N 3.24Å; V488-Y492 PolarHBondContact O-N 2.92Å
489	C	76.6	Confident	80.6	Confident	68 Å²	68	45.4 Å²	45.4	46%	0.459	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-46.5	179.9	-63.3	0	0	0	0	112.7	L485 Y492 V493	L485-C489 PolarHBondContact O-N 3.38Å; L485-C489 PolarHBondContact O-SG 2.88Å; C489-Y492 PolarHBondContact O-N 3.23Å; C489-V493 WeakPolarHBondContact O-CG2 3.39Å; C489-V493 PolarHBondContact O-N 2.92Å
490	I	84	Confident	80.4	Confident	46 Å²	46	51.7 Å²	51.7	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-43.4	179.8	-66.9	165.9	0	0	0	110.3	V234 C238 P486 V488 Y492 V493 V494	V234-I490 HydrophobicContact CG1-CG2 3.95Å; C238-I490 HydrophobicContact CB-CD1 3.7Å; P486-I490 HydrophobicContact CB-CD1 4.47Å; P486-I490 VanDerWaalsContact O-CB 3.3Å; P486-I490 WeakPolarHBondContact O-CB 3.29Å; P486-I490 WeakPolarHBondContact O-CD1 3.41Å; P486-I490 WeakPolarHBondContact O-CG1 3.3Å; P486-I490 PolarHBondContact O-N 3.3Å; V488-I490 PolarHBondContact O-N 3.07Å; I490-Y492 VanDerWaalsContact C-N 3.32Å; I490-Y492 PolarHBondContact O-N 3.14Å; I490-V493 PolarHBondContact O-N 3.43Å; I490-V494 HydrophobicContact CG2-CG2 3.98Å; I490-V494 WeakPolarHBondContact O-CB 3.32Å; I490-V494 WeakPolarHBondContact O-CG2 3.4Å; I490-V494 PolarHBondContact O-N 2.89Å
491	S	79.1	Confident	80.5	Confident	14 Å²	14	58.9 Å²	58.9	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-45.1	179.5	-51.5	0	0	0	0	110.7	A231 S235 S487 V488 Y495	A231-S491 WeakPolarHBondContact CB-O 3.24Å; S235-S491 WeakPolarHBondContact CB-OG 3.31Å; S235-S491 PolarHBondContact OG-OG 3.46Å; S487-S491 VanDerWaalsContact O-CB 3.31Å; S487-S491 WeakPolarHBondContact O-CB 3.29Å; S487-S491 PolarHBondContact O-N 3.48Å; S487-S491 PolarHBondContact O-OG 3.11Å; V488-S491 PolarHBondContact O-N 3.24Å; S491-Y495 WeakPolarHBondContact O-CB 3.35Å; S491-Y495 PolarHBondContact O-N 3.31Å
492	Y	75.7	Confident	80.3	Confident	108 Å²	108	58 Å²	58	42%	0.424	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-52	177.9	-177.9	-96.6	0	0	0	112.1	M419 V488 C489 I490 V494 Y495 E496	M419-Y492 HydrophobicContact CE-CD2 4.45Å; V488-Y492 PolarHBondContact O-N 2.92Å; C489-Y492 PolarHBondContact O-N 3.23Å; I490-Y492 VanDerWaalsContact C-N 3.32Å; I490-Y492 PolarHBondContact O-N 3.14Å; Y492-V494 VanDerWaalsContact C-N 3.35Å; Y492-V494 PolarHBondContact O-N 3.05Å; Y492-Y495 PolarHBondContact O-N 2.99Å; Y492-E496 HydrophobicContact CD1-CG 4.28Å; Y492-E496 HydrophobicContact CE1-CG 3.88Å; Y492-E496 HydrophobicContact CE2-CG 4.22Å; Y492-E496 WeakPolarHBondContact O-CB 3.22Å; Y492-E496 WeakPolarHBondContact O-CG 3.28Å; Y492-E496 PolarHBondContact O-N 2.82Å
493	V	81	Confident	79.6	Confident	88 Å²	88	56 Å²	56	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-42.9	-178.9	172.2	0	0	0	0	111.7	C489 I490 T497	C489-V493 WeakPolarHBondContact O-CG2 3.39Å; C489-V493 PolarHBondContact O-N 2.92Å; I490-V493 PolarHBondContact O-N 3.43Å; V493-T497 VanDerWaalsContact O-CB 3.32Å; V493-T497 WeakPolarHBondContact O-CB 2.99Å; V493-T497 PolarHBondContact O-N 3.45Å; V493-T497 PolarHBondContact O-OG1 3.02Å
494	V	84	Confident	78.4	Confident	25 Å²	25	55.3 Å²	55.3	15%	0.152	30%	0.302	C	S	.	.	H	α-helix	trans	-70.1	-41.6	179.6	177.6	0	0	0	0	110.5	A231 V234 I490 Y492 T497 V498	A231-V494 VanDerWaalsContact CA-CG1 3.49Å; A231-V494 HydrophobicContact CB-CB 4.17Å; A231-V494 HydrophobicContact CB-CG1 4.11Å; V234-V494 HydrophobicContact CB-CG1 4.22Å; V234-V494 HydrophobicContact CB-CG2 4.03Å; V234-V494 HydrophobicContact CG1-CG2 3.77Å; V234-V494 HydrophobicContact CG2-CG1 4.08Å; V234-V494 HydrophobicContact CG2-CG2 4.49Å; I490-V494 HydrophobicContact CG2-CG2 3.98Å; I490-V494 WeakPolarHBondContact O-CB 3.32Å; I490-V494 WeakPolarHBondContact O-CG2 3.4Å; I490-V494 PolarHBondContact O-N 2.89Å; Y492-V494 VanDerWaalsContact C-N 3.35Å; Y492-V494 PolarHBondContact O-N 3.05Å; V494-T497 PolarHBondContact O-N 3.42Å; V494-V498 HydrophobicContact CG1-CG2 3.91Å; V494-V498 WeakPolarHBondContact O-CB 3.17Å; V494-V498 VanDerWaalsContact O-CG2 3.24Å; V494-V498 WeakPolarHBondContact O-CG2 3.25Å; V494-V498 PolarHBondContact O-N 2.66Å
495	Y	80.3	Confident	77.1	Confident	35 Å²	35	59 Å²	59	14%	0.137	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-51.3	176.1	179.6	-100.6	0	0	0	110.6	H224 A227 S491 Y492 T497 V498 R499	H224-Y495 PolarHBondContact ND1-OH 3.33Å; A227-Y495 HydrophobicContact CB-CD2 3.81Å; A227-Y495 HydrophobicContact CB-CE2 3.84Å; S491-Y495 WeakPolarHBondContact O-CB 3.35Å; S491-Y495 PolarHBondContact O-N 3.31Å; Y492-Y495 PolarHBondContact O-N 2.99Å; Y495-T497 VanDerWaalsContact C-N 3.34Å; Y495-T497 PolarHBondContact O-N 2.89Å; Y495-V498 PolarHBondContact O-N 3.3Å; Y495-R499 WeakPolarHBondContact O-CB 3.27Å; Y495-R499 PolarHBondContact O-N 3.14Å
496	E	77.4	Confident	75.6	Confident	32 Å²	32	59 Å²	59	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-57	-45.6	176.5	-78.4	-64.1	149.1	0	0	112.3	Y492 R499 K500	Y492-E496 HydrophobicContact CD1-CG 4.28Å; Y492-E496 HydrophobicContact CE1-CG 3.88Å; Y492-E496 HydrophobicContact CE2-CG 4.22Å; Y492-E496 WeakPolarHBondContact O-CB 3.22Å; Y492-E496 WeakPolarHBondContact O-CG 3.28Å; Y492-E496 PolarHBondContact O-N 2.82Å; E496-R499 IonicContact OE1-CZ 3.61Å; E496-R499 IonicContact OE1-NH1 2.75Å; E496-R499 IonicContact OE1-NH2 3.65Å; E496-R499 PolarHBondContact OE1-NH2 2.87Å; E496-R499 IonicContact OE2-CZ 3.93Å; E496-R499 IonicContact OE2-NH2 2.94Å; E496-R499 PolarHBondContact OE2-NH2 3.38Å; E496-K500 VanDerWaalsContact O-CB 3.32Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.42Å; E496-K500 PolarHBondContact O-N 3.21Å
497	T	85.5	Confident	73.1	Confident	66 Å²	66	63 Å²	63	41%	0.405	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-48.2	-178.3	-59.1	0	0	0	0	111.9	V493 V494 Y495 K500 Q501	V493-T497 VanDerWaalsContact O-CB 3.32Å; V493-T497 WeakPolarHBondContact O-CB 2.99Å; V493-T497 PolarHBondContact O-N 3.45Å; V493-T497 PolarHBondContact O-OG1 3.02Å; V494-T497 PolarHBondContact O-N 3.42Å; Y495-T497 VanDerWaalsContact C-N 3.34Å; Y495-T497 PolarHBondContact O-N 2.89Å; T497-K500 PolarHBondContact O-N 2.81Å; T497-Q501 WeakPolarHBondContact O-CG 3.47Å; T497-Q501 PolarHBondContact O-N 3.08Å
498	V	83.6	Confident	72.7	Confident	30 Å²	30	65 Å²	65	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-68.1	-41.4	-179.2	176.3	0	0	0	0	110.3	A227 A230 V494 Y495 K500 Q501 L502	A227-V498 HydrophobicContact CB-CB 4.25Å; A227-V498 HydrophobicContact CB-CG1 3.97Å; A230-V498 HydrophobicContact CB-CG1 4.18Å; A230-V498 HydrophobicContact CB-CG2 4.03Å; V494-V498 HydrophobicContact CG1-CG2 3.91Å; V494-V498 WeakPolarHBondContact O-CB 3.17Å; V494-V498 VanDerWaalsContact O-CG2 3.24Å; V494-V498 WeakPolarHBondContact O-CG2 3.25Å; V494-V498 PolarHBondContact O-N 2.66Å; Y495-V498 PolarHBondContact O-N 3.3Å; V498-K500 PolarHBondContact O-N 3.33Å; V498-Q501 PolarHBondContact O-N 3.11Å; V498-L502 HydrophobicContact CG1-CD1 3.72Å; V498-L502 HydrophobicContact CG1-CG 4.22Å; V498-L502 WeakPolarHBondContact O-CB 3.21Å; V498-L502 VanDerWaalsContact O-CG 3.28Å; V498-L502 WeakPolarHBondContact O-CG 3.35Å; V498-L502 PolarHBondContact O-N 3.4Å
499	R	75.8	Confident	72.7	Confident	36 Å²	36	66.9 Å²	66.9	14%	0.136	37%	0.366	C	S	.	.	H	α-helix	trans	-59.1	-45.6	175	-173.2	-176	67.6	-175.7	-1.6	111.5	A227 Y495 E496 L502 G503 A504	A227-R499 HydrophobicContact CB-CB 4.15Å; Y495-R499 WeakPolarHBondContact O-CB 3.27Å; Y495-R499 PolarHBondContact O-N 3.14Å; E496-R499 IonicContact OE1-CZ 3.61Å; E496-R499 IonicContact OE1-NH1 2.75Å; E496-R499 IonicContact OE1-NH2 3.65Å; E496-R499 PolarHBondContact OE1-NH2 2.87Å; E496-R499 IonicContact OE2-CZ 3.93Å; E496-R499 IonicContact OE2-NH2 2.94Å; E496-R499 PolarHBondContact OE2-NH2 3.38Å; R499-L502 PolarHBondContact O-N 3.04Å; R499-G503 PolarHBondContact O-N 2.81Å; R499-A504 WeakPolarHBondContact CD-O 3.35Å; R499-A504 HydrophobicContact CG-CB 3.64Å; R499-A504 WeakPolarHBondContact CG-O 3.05Å; R499-A504 PolarHBondContact O-N 2.74Å; R499-A504 VanDerWaalsContact O-N 3.11Å
500	K	80.2	Confident	72.5	Confident	133 Å²	133	66.9 Å²	66.9	58%	0.578	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-42.1	174.9	-75.7	173.2	-174.5	-175.6	0	112.4	E496 T497 V498 L502 G503	E496-K500 VanDerWaalsContact O-CB 3.32Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.42Å; E496-K500 PolarHBondContact O-N 3.21Å; T497-K500 PolarHBondContact O-N 2.81Å; V498-K500 PolarHBondContact O-N 3.33Å; K500-L502 VanDerWaalsContact C-N 3.35Å; K500-G503 PolarHBondContact O-N 3.05Å
501	Q	85.6	Confident	71.9	Confident	153 Å²	153	68.1 Å²	68.1	72%	0.715	37%	0.368	S	S	*	.	H	α-helix	trans	-67.8	-32.8	177.8	-74.3	177.9	5.4	0	0	113.2	T497 V498 G503	T497-Q501 WeakPolarHBondContact O-CG 3.47Å; T497-Q501 PolarHBondContact O-N 3.08Å; V498-Q501 PolarHBondContact O-N 3.11Å; Q501-G503 PolarHBondContact O-N 3.2Å
502	L	81.1	Confident	71.4	Confident	51 Å²	51	71.5 Å²	71.5	27%	0.267	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-5.4	177.1	-70.9	171.1	0	0	0	113.2	W222 Q223 L226 A227 V498 R499 K500 A504	W222-L502 HydrophobicContact CZ3-CD2 4.3Å; Q223-L502 HydrophobicContact CB-CB 4.16Å; Q223-L502 HydrophobicContact CB-CD1 4.19Å; Q223-L502 HydrophobicContact CG-CB 4.33Å; Q223-L502 PolarHBondContact NE2-O 2.81Å; Q223-L502 WeakPolarHBondContact O-CD1 3.12Å; L226-L502 HydrophobicContact CB-CD1 4.09Å; A227-L502 HydrophobicContact CB-CD1 4.41Å; V498-L502 HydrophobicContact CG1-CD1 3.72Å; V498-L502 HydrophobicContact CG1-CG 4.22Å; V498-L502 WeakPolarHBondContact O-CB 3.21Å; V498-L502 VanDerWaalsContact O-CG 3.28Å; V498-L502 WeakPolarHBondContact O-CG 3.35Å; V498-L502 PolarHBondContact O-N 3.4Å; R499-L502 PolarHBondContact O-N 3.04Å; K500-L502 VanDerWaalsContact C-N 3.35Å; L502-A504 VanDerWaalsContact C-N 3.25Å; L502-A504 PolarHBondContact O-N 3.48Å
503	G	69.8	Low	71.1	Confident	50 Å²	50	69.1 Å²	69.1	52%	0.515	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	10.2	-176.7	0	0	0	0	0	114	R499 K500 Q501 T505	R499-G503 PolarHBondContact O-N 2.81Å; K500-G503 PolarHBondContact O-N 3.05Å; Q501-G503 PolarHBondContact O-N 3.2Å; G503-T505 PolarHBondContact O-N 3.48Å; G503-T505 PolarHBondContact O-OG1 3.46Å
504	A	59.7	Low	70.4	Confident	7 Å²	7	67.7 Å²	67.7	6%	0.058	37%	0.371	C	S	.	.			trans	-80.7	45.6	174.4	0	0	0	0	0	111.2	Q223 R499 L502 M506	Q223-A504 HydrophobicContact CB-CB 3.9Å; R499-A504 WeakPolarHBondContact CD-O 3.35Å; R499-A504 HydrophobicContact CG-CB 3.64Å; R499-A504 WeakPolarHBondContact CG-O 3.05Å; R499-A504 PolarHBondContact O-N 2.74Å; R499-A504 VanDerWaalsContact O-N 3.11Å; L502-A504 VanDerWaalsContact C-N 3.25Å; L502-A504 PolarHBondContact O-N 3.48Å; A504-M506 PolarHBondContact O-N 3.02Å
505	T	49.7	Very low	69.4	Low	90 Å²	90	71 Å²	71	55%	0.552	39%	0.388	S	S	*	.			trans	-68.8	100.2	177.3	23.6	0	0	0	0	109.9	G503 T507	G503-T505 PolarHBondContact O-N 3.48Å; G503-T505 PolarHBondContact O-OG1 3.46Å; T505-T507 VanDerWaalsContact C-N 3.29Å; T505-T507 PolarHBondContact O-N 2.84Å; T505-T507 VanDerWaalsContact O-N 3.12Å
506	M	43.5	Very low	68.5	Low	102 Å²	102	74 Å²	74	50%	0.502	41%	0.409	S	S	.	.			trans	-66.4	97.5	148.9	-64.7	-71.1	-178.3	0	0	105.8	E215 A504	E215-M506 HydrophobicContact CG-CE 4.1Å; A504-M506 PolarHBondContact O-N 3.02Å
507	T	29.5	Very low	67.6	Low	138 Å²	138	77.8 Å²	77.8	85%	0.847	43%	0.432	S	S	*	.			trans	-71.3	0	163.5	45.3	0	0	0	0	110.3	K73 T505	K73-T507 WeakPolarHBondContact CE-OG1 3.42Å; K73-T507 VanDerWaalsContact NZ-CB 3.31Å; K73-T507 PolarHBondContact NZ-OG1 2.98Å; T505-T507 VanDerWaalsContact C-N 3.29Å; T505-T507 PolarHBondContact O-N 2.84Å; T505-T507 VanDerWaalsContact O-N 3.12Å

Retrieved 507 of 507 residues in 1579.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).