A0A087Y2E7_POEFO Loading...

Malonyl-CoA decarboxylase, mitochondrial

AlphaFold DB (A0A3B3VPE5), UniProt , Accession A0A087Y2E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	31.8	Very low	228 Å²	228	156.2 Å²	156.2	100%	1.123	82%	0.82	S	S	*	*				0	98	0	-75.1	172.6	178.4	0	0	106.8
2	I	31.4	Very low	31.4	Very low	155 Å²	155	151.3 Å²	151.3	80%	0.795	81%	0.809	S	S	*	*				80.9	123.1	107.6	-64.5	163.7	0	0	0	109.6
3	S	29.2	Very low	31	Very low	107 Å²	107	157.9 Å²	157.9	75%	0.748	82%	0.816	S	S	*	*			cis	-175.9	150.1	-1.8	44.6	0	0	0	0	109.1
4	N	32.6	Very low	30.9	Very low	153 Å²	153	155.5 Å²	155.5	82%	0.818	81%	0.811	S	S	*	*			trans	-65.8	-170.7	157.4	-126.9	-4	0	0	0	110.1
5	P	54.5	Low	30.7	Very low	92 Å²	92	160.4 Å²	160.4	60%	0.597	82%	0.815	S	S	*	*			cis	-148.4	-173.9	9.9	34.9	-9.9	0	0	0	116.4
6	L	29.1	Very low	30.4	Very low	157 Å²	157	160.6 Å²	160.6	82%	0.822	81%	0.808	S	S	*	*				173.1	87.7	129.3	-94.1	157.7	0	0	0	110.5
7	T	29.4	Very low	30.2	Very low	120 Å²	120	164.2 Å²	164.2	74%	0.736	81%	0.811	S	S	*	*				26.5	122.5	102.6	55.6	0	0	0	0	119
8	R	26.7	Very low	30.1	Very low	250 Å²	250	166.9 Å²	166.9	94%	0.943	81%	0.81	S	S	*	*				-155.5	129.5	122	-134.4	176.3	-175.6	178.4	1.7	112.2
9	A	29.1	Very low	30	Very low	92 Å²	92	167.5 Å²	167.5	76%	0.76	81%	0.811	S	S	*	*			trans	-120	148	174	0	0	0	0	0	109.2
10	V	27.6	Very low	29.9	Very low	134 Å²	134	171 Å²	171	81%	0.812	82%	0.815	S	S	*	*			trans	-151.6	99.1	157.8	179.2	0	0	0	0	106.9
11	R	28.1	Very low	29.8	Very low	230 Å²	230	167.4 Å²	167.4	87%	0.868	81%	0.814	S	S	*	*				48.2	103.1	96.3	-83.2	-171.2	173.2	-178.3	-1	114.6
12	S	26.5	Very low	29.7	Very low	98 Å²	98	162.6 Å²	162.6	69%	0.685	80%	0.797	S	S	*	*				95	129.5	89.6	75.1	0	0	0	0	114.1
13	R	26.4	Very low	29.5	Very low	237 Å²	237	163.9 Å²	163.9	89%	0.894	80%	0.797	S	S	*	*				-174.6	121.9	122.4	-101.1	172.2	-172.8	-162.7	3.1	112.2
14	V	30	Very low	29.3	Very low	124 Å²	124	169.1 Å²	169.1	75%	0.752	81%	0.806	S	S	*	*			trans	-73.2	146.3	163	171.4	0	0	0	0	109.3
15	R	27.2	Very low	29.1	Very low	229 Å²	229	166.8 Å²	166.8	86%	0.864	80%	0.798	S	S	*	*			trans	-157.8	109.7	143.7	-106.5	170.7	-162.4	-165.7	3.3	111.4
16	F	26.3	Very low	27.8	Very low	163 Å²	163	169.7 Å²	169.7	72%	0.715	81%	0.807	S	S	*	*			trans	-60.7	138.5	158	-111	-100.2	0	0	0	110.8
17	W	26.3	Very low	28.2	Very low	223 Å²	223	167.9 Å²	167.9	85%	0.845	81%	0.805	S	S	*	*			trans	-144.6	119.3	144.3	-89.7	77.8	0	0	0	109.6
18	R	29	Very low	28.1	Very low	212 Å²	212	171.1 Å²	171.1	80%	0.8	81%	0.812	S	S	*	*			trans	-82.7	146.7	164.8	-75	176.4	163.1	-176.2	-3.8	108.3
19	H	27.7	Very low	28	Very low	178 Å²	178	164 Å²	164	82%	0.824	81%	0.806	S	S	*	*			trans	-153.3	133.7	141.3	-106.7	-76.3	0	0	0	111.9
20	R	28.5	Very low	27.9	Very low	238 Å²	238	165.7 Å²	165.7	90%	0.898	81%	0.813	S	S	*	*			trans	-86.7	148.6	171.1	-99.3	177.7	166	-172.3	-3.5	110.2
21	A	28.3	Very low	27.8	Very low	95 Å²	95	163 Å²	163	79%	0.785	81%	0.812	S	S	*	*			trans	-168.9	108.1	143.2	0	0	0	0	0	107.4
22	V	29.5	Very low	27.8	Very low	127 Å²	127	156.3 Å²	156.3	77%	0.77	82%	0.815	S	S	*	*				70.5	105.9	79.3	-177.7	0	0	0	0	115.1
23	F	28.1	Very low	27.7	Very low	183 Å²	183	154.9 Å²	154.9	80%	0.803	82%	0.815	S	S	*	*			trans	27.4	133.4	146.7	-81	-88.8	0	0	0	123.2	V25	F23-V25 HydrophobicContact CD1-CG2 4.3Å
24	K	25.1	Very low	28.1	Very low	217 Å²	217	149.8 Å²	149.8	94%	0.943	82%	0.816	S	S	*	*				-156.4	144.1	129.6	-114.2	176.2	-177.8	-178.5	0	111.8
25	V	27.3	Very low	27.9	Very low	104 Å²	104	154.9 Å²	154.9	63%	0.63	82%	0.822	S	S	*	*			trans	-117.3	132.5	-171	161.8	0	0	0	0	109.7	F23	F23-V25 HydrophobicContact CD1-CG2 4.3Å
26	L	27.8	Very low	27.8	Very low	153 Å²	153	153.6 Å²	153.6	80%	0.801	82%	0.817	S	S	*	*			trans	58.8	161.9	152.5	-71.3	165.1	0	0	0	120.6
27	P	36.6	Very low	27.8	Very low	119 Å²	119	157.7 Å²	157.7	77%	0.773	83%	0.828	S	S	*	*			cis	-137.5	-179.1	17.5	36.1	-12.9	0	0	0	118.3
28	E	27.2	Very low	27.8	Very low	188 Å²	188	156.2 Å²	156.2	88%	0.879	82%	0.823	S	S	*	*			trans	-24.8	145.2	175.2	-62.2	174.3	148.9	0	0	121.1
29	A	25.5	Very low	28	Very low	101 Å²	101	152 Å²	152	84%	0.835	83%	0.826	S	S	*	*			trans	-155.3	137.1	141.3	0	0	0	0	0	111.7
30	S	26.9	Very low	28	Very low	127 Å²	127	147.9 Å²	147.9	89%	0.888	82%	0.823	S	S	*	*			trans	-66.3	150.8	-179.8	42.2	0	0	0	0	114.3
31	G	25.7	Very low	28.3	Very low	77 Å²	77	142.5 Å²	142.5	79%	0.794	82%	0.818	S	S	*	*			trans	176.5	95.2	170	0	0	0	0	0	113
32	G	28	Very low	28.5	Very low	90 Å²	90	143.9 Å²	143.9	93%	0.928	82%	0.822	S	S	*	*			trans	-62.1	142.1	168.3	0	0	0	0	0	111.4
33	G	25.3	Very low	28.6	Very low	68 Å²	68	149.4 Å²	149.4	70%	0.701	83%	0.829	S	S	*	*			trans	-179.3	103.8	176.6	0	0	0	0	0	112.2	R35	G33-R35 PolarHBondContact O-N 3.48Å
34	S	33.3	Very low	29.2	Very low	129 Å²	129	152.7 Å²	152.7	90%	0.902	84%	0.837	S	S	*	*			trans	-36.4	126.8	169.5	-62.6	0	0	0	0	113.3
35	R	26.1	Very low	29.7	Very low	232 Å²	232	145.7 Å²	145.7	88%	0.875	83%	0.826	S	S	*	*			trans	-119	105.4	164.9	-78.2	-173.4	176.3	-171.4	-0.1	110.6	G33 W37	G33-R35 PolarHBondContact O-N 3.48Å; R35-W37 PolarHBondContact O-N 3.11Å
36	R	26.2	Very low	30.7	Very low	201 Å²	201	145.6 Å²	145.6	76%	0.758	83%	0.825	S	S	*	*			trans	-40	127.7	158.4	-84.3	170.7	163.5	172.3	-4.9	110.5	Y38	R36-Y38 HydrophobicContact CB-CD2 4.32Å; R36-Y38 HydrophobicContact CB-CE2 4.06Å; R36-Y38 PolarHBondContact O-N 3.35Å
37	W	26	Very low	33	Very low	250 Å²	250	141 Å²	141	95%	0.947	81%	0.806	S	S	*	*			trans	-73	105.9	165.3	-72.3	63.4	0	0	0	107.7	R35	R35-W37 PolarHBondContact O-N 3.11Å
38	Y	26.3	Very low	35.1	Very low	192 Å²	192	139.7 Å²	139.7	75%	0.753	80%	0.795	S	S	*	*			trans	-80.6	113.9	166.8	-78.5	-87.7	0	0	0	108.2	R36 A40	R36-Y38 HydrophobicContact CB-CD2 4.32Å; R36-Y38 HydrophobicContact CB-CE2 4.06Å; R36-Y38 PolarHBondContact O-N 3.35Å; Y38-A40 PolarHBondContact O-N 3.09Å
39	S	32.3	Very low	37.7	Very low	124 Å²	124	132.2 Å²	132.2	87%	0.867	76%	0.761	S	S	*	*			trans	-62.7	113.8	168.6	-45.2	0	0	0	0	109.4
40	A	27.8	Very low	40.4	Very low	90 Å²	90	130.6 Å²	130.6	74%	0.744	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-89.6	138.7	169.1	0	0	0	0	0	109.7	Y38 S42	Y38-A40 PolarHBondContact O-N 3.09Å; A40-S42 PolarHBondContact O-N 3.09Å
41	P	35.5	Very low	43.2	Very low	125 Å²	125	129.2 Å²	129.2	81%	0.812	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-78.5	118.1	-178.2	31.1	-31.1	0	0	0	110.1	R43	P41-R43 PolarHBondContact O-N 2.97Å
42	S	31.5	Very low	46	Very low	124 Å²	124	126.1 Å²	126.1	87%	0.867	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-68.3	122.1	177.5	70.3	0	0	0	0	111.5	A40	A40-S42 PolarHBondContact O-N 3.09Å
43	R	32.3	Very low	48.8	Very low	243 Å²	243	122.1 Å²	122.1	92%	0.917	64%	0.638	S	S	*	*			trans	-107.9	113.8	162.8	-89.6	-174.4	174	-173.7	-0.4	108.6	P41	P41-R43 PolarHBondContact O-N 2.97Å
44	R	39.8	Very low	51.6	Low	253 Å²	253	122.6 Å²	122.6	96%	0.955	64%	0.636	S	S	*	*			trans	49.7	79.8	155.4	-64.5	-175.1	-171.6	-163.8	1.3	117
45	G	36.2	Very low	54	Low	70 Å²	70	122.4 Å²	122.4	72%	0.722	62%	0.615	S	S	*	*			trans	-118.3	143.2	147.1	0	0	0	0	0	107.8	S47	G45-S47 PolarHBondContact O-N 3.22Å
46	V	49	Very low	56.7	Low	101 Å²	101	111.6 Å²	111.6	61%	0.612	58%	0.575	S	S	*	*			trans	-43.9	133.9	168.2	172.5	0	0	0	0	108.6	V48 E50	V46-V48 PolarHBondContact O-N 3.3Å; V46-E50 HydrophobicContact CG1-CB 3.57Å; V46-E50 WeakPolarHBondContact CG1-OE2 3.35Å
47	S	74.9	Confident	59.5	Low	56 Å²	56	102 Å²	102	39%	0.392	54%	0.539	S	S	.	.			trans	-56.1	135	-178.1	173.5	0	0	0	0	108.7	G45 M49 E50 E51	G45-S47 PolarHBondContact O-N 3.22Å; S47-M49 CarbonylContact O-C 3.6Å; S47-M49 PolarHBondContact O-N 3.34Å; S47-E50 PolarHBondContact N-OE2 2.85Å; S47-E50 WeakPolarHBondContact O-CA 3.44Å; S47-E50 WeakPolarHBondContact O-CB 3.14Å; S47-E50 PolarHBondContact O-N 2.85Å; S47-E51 PolarHBondContact O-N 3.4Å
48	V	80.5	Confident	62	Low	92 Å²	92	92 Å²	92	56%	0.558	51%	0.509	S	S	*	.	H	α-helix	trans	-48.6	-33.7	178.3	173.9	0	0	0	0	111.2	V46 E51 I52 Y83	V46-V48 PolarHBondContact O-N 3.3Å; V48-E51 PolarHBondContact O-N 3.5Å; V48-I52 HydrophobicContact CG1-CD1 3.93Å; V48-I52 WeakPolarHBondContact O-CG1 3.38Å; V48-I52 PolarHBondContact O-N 3.17Å; V48-I52 VanDerWaalsContact O-N 3.08Å; V48-Y83 HydrophobicContact CG1-CE2 4.31Å
49	M	82.9	Confident	64.7	Low	32 Å²	32	87.7 Å²	87.7	16%	0.158	50%	0.504	C	S	.	.	H	α-helix	trans	-58.4	-46.3	172.5	175.8	173.1	68.3	0	0	113.7	S47 I52 L53 F95 K98	S47-M49 CarbonylContact O-C 3.6Å; S47-M49 PolarHBondContact O-N 3.34Å; M49-I52 PolarHBondContact O-N 3.18Å; M49-L53 HydrophobicContact CG-CD1 4.03Å; M49-L53 WeakPolarHBondContact O-CB 3.37Å; M49-L53 WeakPolarHBondContact O-CG 3.5Å; M49-L53 PolarHBondContact O-N 3.32Å; M49-F95 HydrophobicContact CG-CD2 3.82Å; M49-F95 HydrophobicContact CG-CE2 4.31Å; M49-F95 HydrophobicContact SD-CB 4.19Å; M49-F95 HydrophobicContact SD-CD2 4.09Å; M49-K98 HydrophobicContact CE-CB 4.07Å; M49-K98 HydrophobicContact CE-CD 4.38Å; M49-K98 HydrophobicContact CE-CG 3.99Å; M49-K98 HydrophobicContact SD-CB 4.14Å; M49-K98 HydrophobicContact SD-CG 4.41Å
50	E	82.3	Confident	67	Low	67 Å²	67	84.3 Å²	84.3	31%	0.313	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-38.7	-179.6	-68.5	175.4	155	0	0	111.1	V46 S47 I52 L53 A54 K98	V46-E50 HydrophobicContact CG1-CB 3.57Å; V46-E50 WeakPolarHBondContact CG1-OE2 3.35Å; S47-E50 PolarHBondContact N-OE2 2.85Å; S47-E50 WeakPolarHBondContact O-CA 3.44Å; S47-E50 WeakPolarHBondContact O-CB 3.14Å; S47-E50 PolarHBondContact O-N 2.85Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 2.98Å; E50-L53 PolarHBondContact O-N 3.35Å; E50-A54 WeakPolarHBondContact O-CB 3.33Å; E50-A54 PolarHBondContact O-N 3.39Å; E50-K98 WeakPolarHBondContact OE1-CE 3.3Å; E50-K98 IonicContact OE1-NZ 3.93Å; E50-K98 PolarHBondContact OE1-NZ 3.29Å
51	E	84.4	Confident	69.7	Low	97 Å²	97	81.9 Å²	81.9	45%	0.453	45%	0.453	S	S	.	.	H	α-helix	trans	-66.6	-35.2	177.1	-155	-169.5	155.3	0	0	112	S47 V48 R55	S47-E51 PolarHBondContact O-N 3.4Å; V48-E51 PolarHBondContact O-N 3.5Å; E51-R55 WeakPolarHBondContact O-CG 3.36Å; E51-R55 PolarHBondContact O-N 2.94Å; E51-R55 PolarHBondContact O-NE 2.98Å; E51-R55 IonicContact OE1-CZ 3.18Å; E51-R55 IonicContact OE1-NE 3.74Å; E51-R55 IonicContact OE1-NH2 4Å; E51-R55 PolarHBondContact OE1-NH2 3.38Å; E51-R55 IonicContact OE2-NH2 3.14Å; E51-R55 PolarHBondContact OE2-NH2 3.22Å
52	I	85.6	Confident	72.2	Confident	13 Å²	13	78.9 Å²	78.9	7%	0.067	44%	0.435	C	S	.	.	H	α-helix	trans	-73.3	-46.5	175.6	-71.5	172.3	0	0	0	110.7	V48 M49 E50 A54 R55 V56 Y83	V48-I52 HydrophobicContact CG1-CD1 3.93Å; V48-I52 WeakPolarHBondContact O-CG1 3.38Å; V48-I52 PolarHBondContact O-N 3.17Å; V48-I52 VanDerWaalsContact O-N 3.08Å; M49-I52 PolarHBondContact O-N 3.18Å; E50-I52 VanDerWaalsContact C-N 3.32Å; E50-I52 PolarHBondContact O-N 2.98Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 2.99Å; I52-R55 PolarHBondContact O-N 3.19Å; I52-R55 VanDerWaalsContact O-N 3.12Å; I52-V56 HydrophobicContact CG2-CG2 3.84Å; I52-V56 VanDerWaalsContact O-CB 3.24Å; I52-V56 WeakPolarHBondContact O-CB 3.45Å; I52-V56 WeakPolarHBondContact O-CG2 3.4Å; I52-V56 PolarHBondContact O-N 3.38Å; I52-Y83 HydrophobicContact CD1-CD1 3.85Å; I52-Y83 HydrophobicContact CD1-CD2 3.17Å; I52-Y83 HydrophobicContact CD1-CE1 3.89Å; I52-Y83 HydrophobicContact CD1-CE2 3.25Å; I52-Y83 HydrophobicContact CD1-CG 3.48Å; I52-Y83 VanDerWaalsContact CD1-CG 3.48Å; I52-Y83 HydrophobicContact CG2-CD1 3.87Å; I52-Y83 HydrophobicContact CG2-CE1 4.3Å; I52-Y83 HydrophobicContact CG2-CG 4.2Å
53	L	86.4	Confident	74.9	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	40%	0.401	C	S	.	.	H	α-helix	trans	-58.8	-41.6	177.4	-75	172.8	0	0	0	111.9	M49 E50 R55 V57 F95 K98 L99	M49-L53 HydrophobicContact CG-CD1 4.03Å; M49-L53 WeakPolarHBondContact O-CB 3.37Å; M49-L53 WeakPolarHBondContact O-CG 3.5Å; M49-L53 PolarHBondContact O-N 3.32Å; E50-L53 PolarHBondContact O-N 3.35Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 3.5Å; L53-V57 HydrophobicContact CD2-CG2 4.17Å; L53-V57 WeakPolarHBondContact O-CB 3.44Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.14Å; L53-F95 HydrophobicContact CD2-CE1 4.32Å; L53-F95 HydrophobicContact CD2-CE2 3.78Å; L53-F95 HydrophobicContact CD2-CZ 3.53Å; L53-F95 HydrophobicContact CG-CE2 4Å; L53-F95 HydrophobicContact CG-CZ 4.26Å; L53-K98 HydrophobicContact CD1-CB 4.07Å; L53-K98 HydrophobicContact CD1-CG 3.54Å; L53-L99 HydrophobicContact CD2-CB 4.23Å; L53-L99 HydrophobicContact CD2-CD1 3.73Å
54	A	83.9	Confident	77.6	Confident	79 Å²	79	68.7 Å²	68.7	65%	0.653	38%	0.383	S	S	*	.	H	α-helix	trans	-63.5	-33.7	177.4	0	0	0	0	0	113.1	E50 I52	E50-A54 WeakPolarHBondContact O-CB 3.33Å; E50-A54 PolarHBondContact O-N 3.39Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 2.99Å
55	R	83.4	Confident	79.8	Confident	125 Å²	125	59.1 Å²	59.1	47%	0.472	35%	0.353	S	S	.	.	H	α-helix	trans	-81.5	-42.1	178.1	-77.4	-176.9	-89.8	-176.3	-12.3	112.9	E51 I52 L53 E79	E51-R55 WeakPolarHBondContact O-CG 3.36Å; E51-R55 PolarHBondContact O-N 2.94Å; E51-R55 PolarHBondContact O-NE 2.98Å; E51-R55 IonicContact OE1-CZ 3.18Å; E51-R55 IonicContact OE1-NE 3.74Å; E51-R55 IonicContact OE1-NH2 4Å; E51-R55 PolarHBondContact OE1-NH2 3.38Å; E51-R55 IonicContact OE2-NH2 3.14Å; E51-R55 PolarHBondContact OE2-NH2 3.22Å; I52-R55 PolarHBondContact O-N 3.19Å; I52-R55 VanDerWaalsContact O-N 3.12Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 3.5Å; R55-E79 IonicContact NH1-OE1 2.73Å
56	V	83.5	Confident	82.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-77.4	-42.8	-173.2	163.7	0	0	0	0	112	I52 A58 T76 F80 L146	I52-V56 HydrophobicContact CG2-CG2 3.84Å; I52-V56 VanDerWaalsContact O-CB 3.24Å; I52-V56 WeakPolarHBondContact O-CB 3.45Å; I52-V56 WeakPolarHBondContact O-CG2 3.4Å; I52-V56 PolarHBondContact O-N 3.38Å; V56-A58 PolarHBondContact O-N 2.82Å; V56-T76 HydrophobicContact CB-CG2 4.38Å; V56-T76 HydrophobicContact CG2-CG2 4.38Å; V56-F80 HydrophobicContact CB-CB 4.36Å; V56-F80 HydrophobicContact CG1-CB 3.48Å; V56-F80 VanDerWaalsContact CG1-CB 3.48Å; V56-F80 HydrophobicContact CG1-CD2 3.85Å; V56-F80 HydrophobicContact CG1-CG 3.7Å; V56-F80 HydrophobicContact CG2-CB 3.93Å; V56-L146 HydrophobicContact CG1-CD1 3.44Å; V56-L146 VanDerWaalsContact CG1-CD1 3.44Å; V56-L146 HydrophobicContact CG1-CD2 4.37Å
57	V	84	Confident	83.6	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	34%	0.337	C	S	.	.	S	Bend	trans	-91.2	87.4	-175.4	-167.8	0	0	0	0	109.2	L53 L99 C103 R142 L146	L53-V57 HydrophobicContact CD2-CG2 4.17Å; L53-V57 WeakPolarHBondContact O-CB 3.44Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.14Å; V57-L99 HydrophobicContact CG2-CD1 3.89Å; V57-C103 HydrophobicContact CG1-CB 3.94Å; V57-R142 HydrophobicContact CG1-CB 4.05Å; V57-R142 PolarHBondContact O-NH2 3.15Å; V57-L146 HydrophobicContact CG2-CD2 4.09Å
58	A	80.4	Confident	84	Confident	39 Å²	39	67 Å²	67	32%	0.322	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-51.1	143.1	175.9	0	0	0	0	0	111.6	V56 R142	V56-A58 PolarHBondContact O-N 2.82Å; A58-R142 PolarHBondContact O-NH2 2.88Å
59	P	81.5	Confident	83.8	Confident	101 Å²	101	64.9 Å²	64.9	66%	0.656	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-61.8	149.3	170.2	27.5	-33.1	0	0	0	109.8
60	L	80.5	Confident	83.5	Confident	54 Å²	54	68.8 Å²	68.8	28%	0.283	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-63.9	133.2	173.4	-75.5	164.3	0	0	0	109	R142 Q145	L60-R142 HydrophobicContact CD1-CG 3.82Å; L60-R142 HydrophobicContact CG-CG 3.96Å; L60-Q145 HydrophobicContact CD2-CG 3.52Å
61	P	85.4	Confident	83.3	Confident	39 Å²	39	69.1 Å²	69.1	25%	0.253	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-61.3	160.6	172.4	24.3	-30.6	0	0	0	110.5	S69 Y137	P61-S69 VanDerWaalsContact CB-OG 3.24Å; P61-S69 WeakPolarHBondContact CB-OG 3.44Å; P61-Y137 WeakPolarHBondContact CD-OH 3.41Å; P61-Y137 WeakPolarHBondContact CG-OH 3.48Å; P61-Y137 WeakPolarHBondContact O-CE1 3.32Å; P61-Y137 PolarHBondContact O-OH 2.82Å
62	S	87.3	Confident	83.2	Confident	61 Å²	61	66 Å²	66	43%	0.427	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-63.1	156.5	174	74.8	0	0	0	0	109.9	E64 T65 R66	S62-E64 PolarHBondContact O-N 3.21Å; S62-T65 PolarHBondContact N-OG1 3.12Å; S62-T65 CarbonylContact O-C 3.58Å; S62-T65 PolarHBondContact O-N 3.4Å; S62-T65 PolarHBondContact O-OG1 3.16Å; S62-T65 PolarHBondContact OG-OG1 2.97Å; S62-T65 VanDerWaalsContact OG-OG1 3.07Å; S62-R66 PolarHBondContact O-N 3.19Å
63	Y	88.2	Confident	83.2	Confident	41 Å²	41	69.3 Å²	69.3	16%	0.161	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-54.5	-39.5	-178.8	174.3	-91	0	0	0	112	T65 R66 D133 R134 Y137	Y63-T65 VanDerWaalsContact C-N 3.3Å; Y63-T65 PolarHBondContact O-N 2.96Å; Y63-R66 WeakPolarHBondContact O-CD 3.27Å; Y63-R66 WeakPolarHBondContact O-CG 3.41Å; Y63-R66 PolarHBondContact OH-NH1 2.78Å; Y63-D133 HydrophobicContact CE2-CB 4.42Å; Y63-D133 PolarHBondContact OH-OD2 2.98Å; Y63-R134 HydrophobicContact CD1-CG 3.78Å; Y63-R134 HydrophobicContact CD2-CB 4.17Å; Y63-R134 HydrophobicContact CD2-CG 3.51Å; Y63-R134 HydrophobicContact CE1-CG 3.68Å; Y63-R134 HydrophobicContact CE2-CB 3.97Å; Y63-R134 HydrophobicContact CE2-CG 3.31Å; Y63-R134 HydrophobicContact CG-CG 3.71Å; Y63-R134 VanDerWaalsContact CZ-CG 3.44Å; Y63-Y137 HydrophobicContact CD2-CD1 4.07Å; Y63-Y137 HydrophobicContact CD2-CG 4.1Å
64	E	89.1	Confident	83.3	Confident	112 Å²	112	75.5 Å²	75.5	52%	0.523	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-69.2	-25.8	-179	-64.1	70	-151.8	0	0	113.2	S62 R134	S62-E64 PolarHBondContact O-N 3.21Å; E64-R134 IonicContact OE1-CZ 3.93Å; E64-R134 IonicContact OE1-NE 3.76Å; E64-R134 IonicContact OE1-NH2 2.93Å; E64-R134 PolarHBondContact OE1-NH2 3.34Å
65	T	87.2	Confident	83.5	Confident	53 Å²	53	75.3 Å²	75.3	33%	0.325	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-108.7	2.3	-177.3	60.4	0	0	0	0	113.6	S62 Y63 D67 K68 S69	S62-T65 PolarHBondContact N-OG1 3.12Å; S62-T65 CarbonylContact O-C 3.58Å; S62-T65 PolarHBondContact O-N 3.4Å; S62-T65 PolarHBondContact O-OG1 3.16Å; S62-T65 PolarHBondContact OG-OG1 2.97Å; S62-T65 VanDerWaalsContact OG-OG1 3.07Å; Y63-T65 VanDerWaalsContact C-N 3.3Å; Y63-T65 PolarHBondContact O-N 2.96Å; T65-D67 PolarHBondContact O-N 3.16Å; T65-K68 CarbonylContact O-C 3.6Å; T65-K68 PolarHBondContact O-N 3.03Å; T65-S69 PolarHBondContact O-N 3.42Å; T65-S69 PolarHBondContact O-OG 3.43Å; T65-S69 PolarHBondContact OG1-OG 3.48Å
66	R	83.3	Confident	83.8	Confident	75 Å²	75	70.4 Å²	70.4	28%	0.283	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.9	-174.1	74.3	-171.1	178.8	-165.6	-0.7	115.2	S62 Y63 D133 Y137	S62-R66 PolarHBondContact O-N 3.19Å; Y63-R66 WeakPolarHBondContact O-CD 3.27Å; Y63-R66 WeakPolarHBondContact O-CG 3.41Å; Y63-R66 PolarHBondContact OH-NH1 2.78Å; R66-D133 IonicContact CZ-OD2 3.64Å; R66-D133 IonicContact NH1-OD2 2.76Å; R66-D133 PolarHBondContact NH1-OD2 3.27Å; R66-D133 IonicContact NH2-OD2 2.82Å; R66-D133 PolarHBondContact NH2-OD2 3.12Å; R66-Y137 HydrophobicContact CB-CD2 4.4Å; R66-Y137 HydrophobicContact CB-CE2 3.69Å
67	D	81.9	Confident	84.2	Confident	137 Å²	137	70.5 Å²	70.5	73%	0.733	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-11	-178.5	-59.3	-49.4	0	0	0	112.7	T65	T65-D67 PolarHBondContact O-N 3.16Å
68	K	81.3	Confident	84.6	Confident	180 Å²	180	74 Å²	74	78%	0.783	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-21.2	-174.8	-63	-177.7	-178.4	177.5	0	113.2	T65	T65-K68 CarbonylContact O-C 3.6Å; T65-K68 PolarHBondContact O-N 3.03Å
69	S	76.9	Confident	85.2	Confident	48 Å²	48	75.7 Å²	75.7	34%	0.336	42%	0.419	S	S	.	.	S	Bend	trans	-64.9	127.4	179	-73.1	0	0	0	0	110.2	P61 T65	P61-S69 VanDerWaalsContact CB-OG 3.24Å; P61-S69 WeakPolarHBondContact CB-OG 3.44Å; T65-S69 PolarHBondContact O-N 3.42Å; T65-S69 PolarHBondContact O-OG 3.43Å; T65-S69 PolarHBondContact OG1-OG 3.48Å
70	P	77.3	Confident	85.8	Confident	114 Å²	114	71 Å²	71	74%	0.74	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-62.8	144.1	177.8	26.9	-33.6	0	0	0	109.5
71	P	77.8	Confident	86.4	Confident	73 Å²	73	68.5 Å²	68.5	47%	0.474	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-60.8	151.8	172.5	27.8	-33.6	0	0	0	109.9
72	P	82.2	Confident	86.9	Confident	33 Å²	33	71.3 Å²	71.3	21%	0.214	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-59.3	154.3	172.2	27.2	-33.3	0	0	0	110.2	H149	P72-H149 WeakPolarHBondContact CD-CE1 3.49Å; P72-H149 WeakPolarHBondContact CD-ND1 3.34Å; P72-H149 HydrophobicContact CG-CB 4.32Å; P72-H149 VanDerWaalsContact CG-ND1 3.29Å; P72-H149 WeakPolarHBondContact CG-ND1 3.17Å
73	P	85.4	Confident	87.2	Confident	82 Å²	82	71.1 Å²	71.1	53%	0.532	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-53.6	144.3	176.8	-25.3	34.7	0	0	0	112.2	S75 T76	P73-S75 WeakPolarHBondContact CB-OG 3.45Å; P73-S75 PolarHBondContact O-N 2.94Å; P73-S75 VanDerWaalsContact O-N 3.15Å; P73-T76 VanDerWaalsContact O-CB 3.29Å; P73-T76 WeakPolarHBondContact O-CB 3.21Å; P73-T76 PolarHBondContact O-N 3.27Å; P73-T76 PolarHBondContact O-OG1 3.26Å
74	E	87.8	Confident	87.5	Confident	135 Å²	135	69.4 Å²	69.4	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-57.3	-32.1	177.5	-66.6	-177.4	174.9	0	0	112.2	T76 S77 L78 V153	E74-T76 PolarHBondContact O-N 3.41Å; E74-T76 VanDerWaalsContact O-N 3.15Å; E74-S77 PolarHBondContact O-N 3.1Å; E74-L78 PolarHBondContact O-N 3.3Å; E74-V153 HydrophobicContact CB-CG1 4.05Å; E74-V153 HydrophobicContact CG-CG1 4.15Å
75	S	89.4	Confident	87.7	Confident	75 Å²	75	70.6 Å²	70.6	52%	0.524	37%	0.371	S	S	.	.	H	α-helix	trans	-53.9	-34.1	175.5	59.2	0	0	0	0	112.9	P73 L78 E79	P73-S75 WeakPolarHBondContact CB-OG 3.45Å; P73-S75 PolarHBondContact O-N 2.94Å; P73-S75 VanDerWaalsContact O-N 3.15Å; S75-L78 PolarHBondContact O-N 2.87Å; S75-E79 WeakPolarHBondContact O-CB 3.38Å; S75-E79 PolarHBondContact O-N 2.87Å
76	T	90.1	Very high	88	Confident	22 Å²	22	71.1 Å²	71.1	14%	0.135	39%	0.387	C	S	.	.	H	α-helix	trans	-67.1	-39.7	177.9	-55.8	0	0	0	0	111.6	V56 P73 E74 F80	V56-T76 HydrophobicContact CB-CG2 4.38Å; V56-T76 HydrophobicContact CG2-CG2 4.38Å; P73-T76 VanDerWaalsContact O-CB 3.29Å; P73-T76 WeakPolarHBondContact O-CB 3.21Å; P73-T76 PolarHBondContact O-N 3.27Å; P73-T76 PolarHBondContact O-OG1 3.26Å; E74-T76 PolarHBondContact O-N 3.41Å; E74-T76 VanDerWaalsContact O-N 3.15Å; T76-F80 PolarHBondContact O-N 3.06Å; T76-F80 VanDerWaalsContact O-N 3.16Å
77	S	91.9	Very high	88.5	Confident	5 Å²	5	68.7 Å²	68.7	4%	0.035	38%	0.379	C	S	.	.	H	α-helix	trans	-70.7	-37.5	175.8	-62.1	0	0	0	0	111.4	E74 F80 M81	E74-S77 PolarHBondContact O-N 3.1Å; S77-F80 WeakPolarHBondContact O-CB 3.29Å; S77-F80 PolarHBondContact O-N 2.8Å; S77-M81 WeakPolarHBondContact O-CG 3.24Å; S77-M81 PolarHBondContact O-N 3.16Å
78	L	92.6	Very high	88.9	Confident	76 Å²	76	68.8 Å²	68.8	40%	0.398	38%	0.375	S	S	.	.	H	α-helix	trans	-67.4	-41.5	176.1	-65.9	173.8	0	0	0	112.2	E74 S75 F80 M81 N82 V153	E74-L78 PolarHBondContact O-N 3.3Å; S75-L78 PolarHBondContact O-N 2.87Å; L78-F80 VanDerWaalsContact C-N 3.34Å; L78-F80 PolarHBondContact O-N 3.03Å; L78-M81 PolarHBondContact O-N 2.86Å; L78-N82 WeakPolarHBondContact O-CB 3.43Å; L78-N82 PolarHBondContact O-N 3.42Å; L78-N82 PolarHBondContact O-ND2 2.97Å; L78-V153 HydrophobicContact CD2-CG2 4.4Å
79	E	92.4	Very high	89.2	Confident	74 Å²	74	66.6 Å²	66.6	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-46.5	174.7	-176.3	177.7	-171.6	0	0	110.8	R55 S75 M81 N82 Y83	R55-E79 IonicContact NH1-OE1 2.73Å; S75-E79 WeakPolarHBondContact O-CB 3.38Å; S75-E79 PolarHBondContact O-N 2.87Å; E79-M81 PolarHBondContact O-N 3.26Å; E79-N82 PolarHBondContact O-N 3.48Å; E79-Y83 WeakPolarHBondContact O-CB 3.4Å; E79-Y83 PolarHBondContact O-N 2.91Å
80	F	93.2	Very high	89.7	Confident	1 Å²	1	72.1 Å²	72.1	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-56.5	-51	173.8	174.1	-123.9	0	0	0	113	V56 T76 S77 L78 N82 Y83 Y84 F95 L146 V150 F159 L163	V56-F80 HydrophobicContact CB-CB 4.36Å; V56-F80 HydrophobicContact CG1-CB 3.48Å; V56-F80 VanDerWaalsContact CG1-CB 3.48Å; V56-F80 HydrophobicContact CG1-CD2 3.85Å; V56-F80 HydrophobicContact CG1-CG 3.7Å; V56-F80 HydrophobicContact CG2-CB 3.93Å; T76-F80 PolarHBondContact O-N 3.06Å; T76-F80 VanDerWaalsContact O-N 3.16Å; S77-F80 WeakPolarHBondContact O-CB 3.29Å; S77-F80 PolarHBondContact O-N 2.8Å; L78-F80 VanDerWaalsContact C-N 3.34Å; L78-F80 PolarHBondContact O-N 3.03Å; F80-N82 VanDerWaalsContact C-N 3.33Å; F80-N82 PolarHBondContact O-N 3.42Å; F80-Y83 PolarHBondContact O-N 3.03Å; F80-Y84 WeakPolarHBondContact O-CB 3.33Å; F80-Y84 PolarHBondContact O-N 3.36Å; F80-F95 HydrophobicContact CD2-CE1 4.5Å; F80-F95 HydrophobicContact CD2-CZ 4.09Å; F80-F95 AromaticContact CE2-CE1 3.58Å; F80-F95 HydrophobicContact CE2-CE1 3.58Å; F80-F95 AromaticContact CE2-CZ 3.59Å; F80-F95 HydrophobicContact CE2-CZ 3.59Å; F80-F95 HydrophobicContact CZ-CE1 4.38Å; F80-L146 HydrophobicContact CD1-CD1 4.18Å; F80-L146 HydrophobicContact CD1-CD2 4.38Å; F80-L146 HydrophobicContact CD1-CG 4.48Å; F80-L146 HydrophobicContact CE1-CD2 4Å; F80-L146 HydrophobicContact CE1-CG 4.35Å; F80-L146 HydrophobicContact CE2-CD2 4.32Å; F80-L146 HydrophobicContact CG-CD1 4.44Å; F80-L146 HydrophobicContact CZ-CD2 3.99Å; F80-V150 HydrophobicContact CD1-CG2 3.7Å; F80-V150 HydrophobicContact CE1-CG2 4.07Å; F80-F159 HydrophobicContact CD1-CE1 4.11Å; F80-F159 HydrophobicContact CD1-CZ 4.38Å; F80-F159 AromaticContact CE1-CE1 3.53Å; F80-F159 HydrophobicContact CE1-CE1 3.53Å; F80-F159 AromaticContact CE1-CZ 3.93Å; F80-F159 HydrophobicContact CE1-CZ 3.93Å; F80-F159 HydrophobicContact CZ-CE1 4.15Å; F80-F159 HydrophobicContact CZ-CZ 4.23Å; F80-L163 HydrophobicContact CE1-CD1 4.34Å; F80-L163 HydrophobicContact CZ-CD1 3.89Å
81	M	94.4	Very high	90.2	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.015	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-42.7	-178.7	-71.7	167.3	60.8	0	0	111.5	S77 L78 E79 R85 V150 V153 F159	S77-M81 WeakPolarHBondContact O-CG 3.24Å; S77-M81 PolarHBondContact O-N 3.16Å; L78-M81 PolarHBondContact O-N 2.86Å; E79-M81 PolarHBondContact O-N 3.26Å; M81-R85 VanDerWaalsContact CE-NH2 3.31Å; M81-R85 WeakPolarHBondContact O-CB 3.48Å; M81-R85 WeakPolarHBondContact O-CD 3.48Å; M81-R85 WeakPolarHBondContact O-CG 3.48Å; M81-R85 PolarHBondContact O-N 2.91Å; M81-V150 HydrophobicContact CG-CG1 4.24Å; M81-V150 HydrophobicContact SD-CG1 4.01Å; M81-V153 HydrophobicContact CE-CG2 4.39Å; M81-V153 HydrophobicContact SD-CG2 3.53Å; M81-V153 VanDerWaalsContact SD-CG2 3.53Å; M81-F159 HydrophobicContact CB-CD2 4.09Å; M81-F159 HydrophobicContact CB-CE2 4.04Å; M81-F159 HydrophobicContact CB-CG 4.45Å; M81-F159 HydrophobicContact CB-CZ 4.39Å; M81-F159 HydrophobicContact CE-CB 3.9Å; M81-F159 HydrophobicContact CE-CG 4.2Å; M81-F159 HydrophobicContact CG-CB 4.47Å; M81-F159 HydrophobicContact CG-CD1 3.81Å; M81-F159 HydrophobicContact CG-CD2 3.92Å; M81-F159 HydrophobicContact CG-CE1 3.98Å; M81-F159 HydrophobicContact CG-CE2 4.06Å; M81-F159 HydrophobicContact CG-CG 3.79Å; M81-F159 HydrophobicContact CG-CZ 4.1Å
82	N	94.1	Very high	90.9	Very high	98 Å²	98	69 Å²	69	52%	0.524	36%	0.358	S	S	.	.	H	α-helix	trans	-68.9	-43.5	180	-70.8	-19.2	0	0	0	111.7	L78 E79 F80 R85 G86	L78-N82 WeakPolarHBondContact O-CB 3.43Å; L78-N82 PolarHBondContact O-N 3.42Å; L78-N82 PolarHBondContact O-ND2 2.97Å; E79-N82 PolarHBondContact O-N 3.48Å; F80-N82 VanDerWaalsContact C-N 3.33Å; F80-N82 PolarHBondContact O-N 3.42Å; N82-R85 PolarHBondContact O-N 2.94Å; N82-G86 PolarHBondContact O-N 3.14Å
83	Y	93.9	Very high	91.2	Very high	57 Å²	57	69.5 Å²	69.5	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-60	-51.8	175.7	179.9	-110.2	0	0	0	110.9	V48 I52 E79 F80 R85 G86 L87 F95	V48-Y83 HydrophobicContact CG1-CE2 4.31Å; I52-Y83 HydrophobicContact CD1-CD1 3.85Å; I52-Y83 HydrophobicContact CD1-CD2 3.17Å; I52-Y83 HydrophobicContact CD1-CE1 3.89Å; I52-Y83 HydrophobicContact CD1-CE2 3.25Å; I52-Y83 HydrophobicContact CD1-CG 3.48Å; I52-Y83 VanDerWaalsContact CD1-CG 3.48Å; I52-Y83 HydrophobicContact CG2-CD1 3.87Å; I52-Y83 HydrophobicContact CG2-CE1 4.3Å; I52-Y83 HydrophobicContact CG2-CG 4.2Å; E79-Y83 WeakPolarHBondContact O-CB 3.4Å; E79-Y83 PolarHBondContact O-N 2.91Å; F80-Y83 PolarHBondContact O-N 3.03Å; Y83-R85 VanDerWaalsContact C-N 3.32Å; Y83-R85 PolarHBondContact O-N 3.25Å; Y83-G86 PolarHBondContact O-N 3.26Å; Y83-L87 HydrophobicContact CD1-CD1 4.42Å; Y83-L87 HydrophobicContact CE1-CD1 4.09Å; Y83-L87 HydrophobicContact CE1-CD2 4.09Å; Y83-L87 HydrophobicContact CE1-CG 4.42Å; Y83-L87 HydrophobicContact CE2-CD2 4.16Å; Y83-L87 WeakPolarHBondContact O-CG 3.33Å; Y83-L87 PolarHBondContact O-N 2.87Å; Y83-F95 HydrophobicContact CD1-CD2 4.31Å; Y83-F95 AromaticContact CD1-CE2 3.93Å; Y83-F95 HydrophobicContact CD1-CE2 3.93Å; Y83-F95 AromaticContact CE1-CD2 3.7Å; Y83-F95 HydrophobicContact CE1-CD2 3.7Å; Y83-F95 AromaticContact CE1-CE2 3.64Å; Y83-F95 HydrophobicContact CE1-CE2 3.64Å
84	Y	95	Very high	91.4	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-36.5	-178.3	-171.9	-96.4	0	0	0	113.2	F80 G86 L87 K92 F95 L96 F159 L163 D166	F80-Y84 WeakPolarHBondContact O-CB 3.33Å; F80-Y84 PolarHBondContact O-N 3.36Å; Y84-G86 VanDerWaalsContact C-N 3.28Å; Y84-G86 PolarHBondContact O-N 3.47Å; Y84-L87 HydrophobicContact CD2-CD1 4.13Å; Y84-L87 PolarHBondContact O-N 2.55Å; Y84-K92 HydrophobicContact CE1-CD 4.25Å; Y84-K92 HydrophobicContact CE1-CG 4.5Å; Y84-K92 HydrophobicContact CE2-CB 4.32Å; Y84-K92 HydrophobicContact CE2-CG 4.02Å; Y84-F95 AromaticContact CD2-CD1 3.67Å; Y84-F95 HydrophobicContact CD2-CD1 3.67Å; Y84-F95 AromaticContact CD2-CE1 3.96Å; Y84-F95 HydrophobicContact CD2-CE1 3.96Å; Y84-F95 HydrophobicContact CD2-CG 4.37Å; Y84-F95 AromaticContact CE2-CD1 3.86Å; Y84-F95 HydrophobicContact CE2-CD1 3.86Å; Y84-F95 HydrophobicContact CE2-CE1 4.45Å; Y84-L96 HydrophobicContact CE2-CD1 4.43Å; Y84-L96 HydrophobicContact CE2-CD2 4.1Å; Y84-L96 HydrophobicContact CE2-CG 4.03Å; Y84-L96 WeakPolarHBondContact OH-CD1 3.35Å; Y84-F159 AromaticContact CD1-CE2 3.71Å; Y84-F159 HydrophobicContact CD1-CE2 3.71Å; Y84-F159 AromaticContact CD1-CZ 3.64Å; Y84-F159 HydrophobicContact CD1-CZ 3.64Å; Y84-F159 HydrophobicContact CG-CE2 4.27Å; Y84-F159 AromaticContact CG-CZ 3.93Å; Y84-F159 HydrophobicContact CG-CZ 3.93Å; Y84-L163 HydrophobicContact CD1-CD1 4.41Å; Y84-L163 HydrophobicContact CE1-CB 4.32Å; Y84-L163 HydrophobicContact CE1-CD1 4.21Å; Y84-L163 HydrophobicContact CE1-CG 4.15Å; Y84-L163 HydrophobicContact CE2-CD1 4.5Å; Y84-D166 PolarHBondContact OH-OD2 2.93Å
85	R	94.2	Very high	91.6	Very high	138 Å²	138	64 Å²	64	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-66.4	-29.6	175.2	-77.2	171.4	-175.5	152.5	-2	113.1	M81 N82 Y83 L87 F159	M81-R85 VanDerWaalsContact CE-NH2 3.31Å; M81-R85 WeakPolarHBondContact O-CB 3.48Å; M81-R85 WeakPolarHBondContact O-CD 3.48Å; M81-R85 WeakPolarHBondContact O-CG 3.48Å; M81-R85 PolarHBondContact O-N 2.91Å; N82-R85 PolarHBondContact O-N 2.94Å; Y83-R85 VanDerWaalsContact C-N 3.32Å; Y83-R85 PolarHBondContact O-N 3.25Å; R85-L87 VanDerWaalsContact C-N 3.29Å; R85-F159 HydrophobicContact CG-CD2 4.43Å; R85-F159 HydrophobicContact CG-CE2 4.27Å
86	G	92.8	Very high	91.7	Very high	64 Å²	64	60.4 Å²	60.4	66%	0.66	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.7	178	0	0	0	0	0	114.3	N82 Y83 Y84	N82-G86 PolarHBondContact O-N 3.14Å; Y83-G86 PolarHBondContact O-N 3.26Å; Y84-G86 VanDerWaalsContact C-N 3.28Å; Y84-G86 PolarHBondContact O-N 3.47Å
87	L	93.5	Very high	91.7	Very high	23 Å²	23	60.6 Å²	60.6	12%	0.12	31%	0.307	C	S	.	.			trans	-81.7	140.4	179.2	-63.6	-178.8	0	0	0	111.8	Y83 Y84 R85 D91 K92 F95	Y83-L87 HydrophobicContact CD1-CD1 4.42Å; Y83-L87 HydrophobicContact CE1-CD1 4.09Å; Y83-L87 HydrophobicContact CE1-CD2 4.09Å; Y83-L87 HydrophobicContact CE1-CG 4.42Å; Y83-L87 HydrophobicContact CE2-CD2 4.16Å; Y83-L87 WeakPolarHBondContact O-CG 3.33Å; Y83-L87 PolarHBondContact O-N 2.87Å; Y84-L87 HydrophobicContact CD2-CD1 4.13Å; Y84-L87 PolarHBondContact O-N 2.55Å; R85-L87 VanDerWaalsContact C-N 3.29Å; L87-D91 HydrophobicContact CB-CB 4.13Å; L87-D91 HydrophobicContact CD2-CB 4.08Å; L87-D91 HydrophobicContact CG-CB 4.5Å; L87-K92 HydrophobicContact CB-CG 3.73Å; L87-K92 HydrophobicContact CD1-CG 4.42Å; L87-K92 WeakPolarHBondContact O-CE 3.37Å; L87-F95 HydrophobicContact CD1-CB 3.79Å; L87-F95 HydrophobicContact CD1-CD2 4.09Å; L87-F95 HydrophobicContact CD1-CG 3.88Å
88	E	91.6	Very high	91.6	Very high	139 Å²	139	62.2 Å²	62.2	65%	0.65	31%	0.314	S	S	*	.			trans	-71.4	165.4	168.2	-67.6	-61.6	155.9	0	0	111.3	E90 D91 K92	E88-E90 VanDerWaalsContact C-N 3.28Å; E88-E90 PolarHBondContact O-N 2.96Å; E88-D91 PolarHBondContact O-N 3.14Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 2.62Å
89	K	86.5	Confident	91.7	Very high	135 Å²	135	58.6 Å²	58.6	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-55.9	-41.1	-176	-77.3	-165.3	170.2	-153.8	0	113.5	V93 E169	K89-V93 WeakPolarHBondContact O-CG2 3.25Å; K89-E169 IonicContact NZ-OE1 3.61Å; K89-E169 PolarHBondContact NZ-OE1 2.94Å; K89-E169 IonicContact NZ-OE2 3.96Å
90	E	86.6	Confident	91.7	Very high	164 Å²	164	55.2 Å²	55.2	77%	0.766	28%	0.279	S	S	*	.	H	α-helix	trans	-68.2	-46.6	-179.4	-67.1	168.7	-172.5	0	0	110.8	E88 K92 V93 D94	E88-E90 VanDerWaalsContact C-N 3.28Å; E88-E90 PolarHBondContact O-N 2.96Å; E90-K92 VanDerWaalsContact C-N 3.28Å; E90-K92 PolarHBondContact O-N 2.94Å; E90-V93 WeakPolarHBondContact O-CB 3.29Å; E90-V93 PolarHBondContact O-N 3.28Å; E90-D94 PolarHBondContact O-N 3Å
91	D	89.6	Confident	91.5	Very high	82 Å²	82	60 Å²	60	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-63.2	-32.7	178.3	-62.9	-39.1	0	0	0	112.6	L87 E88 V93 D94 F95	L87-D91 HydrophobicContact CB-CB 4.13Å; L87-D91 HydrophobicContact CD2-CB 4.08Å; L87-D91 HydrophobicContact CG-CB 4.5Å; E88-D91 PolarHBondContact O-N 3.14Å; D91-V93 VanDerWaalsContact C-N 3.28Å; D91-V93 PolarHBondContact O-N 2.91Å; D91-D94 PolarHBondContact O-N 3.13Å; D91-F95 VanDerWaalsContact O-CB 3.23Å; D91-F95 WeakPolarHBondContact O-CB 3.12Å; D91-F95 PolarHBondContact O-N 3.35Å
92	K	90.7	Very high	91.3	Very high	39 Å²	39	64.6 Å²	64.6	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-34.8	174	-75.1	179.8	176.1	-168.8	0	112.4	Y84 L87 E88 E90 L96 D166	Y84-K92 HydrophobicContact CE1-CD 4.25Å; Y84-K92 HydrophobicContact CE1-CG 4.5Å; Y84-K92 HydrophobicContact CE2-CB 4.32Å; Y84-K92 HydrophobicContact CE2-CG 4.02Å; L87-K92 HydrophobicContact CB-CG 3.73Å; L87-K92 HydrophobicContact CD1-CG 4.42Å; L87-K92 WeakPolarHBondContact O-CE 3.37Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 2.62Å; E90-K92 VanDerWaalsContact C-N 3.28Å; E90-K92 PolarHBondContact O-N 2.94Å; K92-L96 WeakPolarHBondContact O-CB 3.27Å; K92-L96 VanDerWaalsContact O-CG 3.32Å; K92-L96 WeakPolarHBondContact O-CG 3.44Å; K92-L96 PolarHBondContact O-N 3.46Å; K92-D166 IonicContact NZ-OD1 2.81Å; K92-D166 IonicContact NZ-OD2 3.98Å; K92-D166 PolarHBondContact NZ-OD2 2.95Å
93	V	89.2	Confident	91.2	Very high	44 Å²	44	60.2 Å²	60.2	27%	0.267	30%	0.3	S	S	.	.	H	α-helix	trans	-66.6	-47.4	177.6	-173.9	0	0	0	0	110.2	K89 E90 D91 F95 L96 S97 I170	K89-V93 WeakPolarHBondContact O-CG2 3.25Å; E90-V93 WeakPolarHBondContact O-CB 3.29Å; E90-V93 PolarHBondContact O-N 3.28Å; D91-V93 VanDerWaalsContact C-N 3.28Å; D91-V93 PolarHBondContact O-N 2.91Å; V93-F95 VanDerWaalsContact C-N 3.35Å; V93-L96 PolarHBondContact O-N 2.98Å; V93-S97 VanDerWaalsContact O-CB 3.26Å; V93-S97 WeakPolarHBondContact O-CB 3.32Å; V93-S97 PolarHBondContact O-N 3.33Å; V93-S97 PolarHBondContact O-OG 3.38Å; V93-I170 HydrophobicContact CB-CD1 4.34Å; V93-I170 HydrophobicContact CG1-CD1 4.48Å; V93-I170 HydrophobicContact CG1-CG2 4.2Å; V93-I170 HydrophobicContact CG2-CD1 3.94Å; V93-I170 HydrophobicContact CG2-CG1 3.87Å
94	D	89.1	Confident	91.1	Very high	100 Å²	100	58.1 Å²	58.1	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-43.3	179	-72.9	-15.4	0	0	0	110.9	E90 D91 S97 K98	E90-D94 PolarHBondContact O-N 3Å; D91-D94 PolarHBondContact O-N 3.13Å; D94-S97 PolarHBondContact O-N 3.07Å; D94-K98 WeakPolarHBondContact O-CB 3.24Å; D94-K98 PolarHBondContact O-N 2.94Å
95	F	91.7	Very high	90.9	Very high	1 Å²	1	59.3 Å²	59.3	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-51.3	176.8	-176.5	-86.2	0	0	0	112.5	M49 L53 F80 Y83 Y84 L87 D91 V93 S97 K98 L99	M49-F95 HydrophobicContact CG-CD2 3.82Å; M49-F95 HydrophobicContact CG-CE2 4.31Å; M49-F95 HydrophobicContact SD-CB 4.19Å; M49-F95 HydrophobicContact SD-CD2 4.09Å; L53-F95 HydrophobicContact CD2-CE1 4.32Å; L53-F95 HydrophobicContact CD2-CE2 3.78Å; L53-F95 HydrophobicContact CD2-CZ 3.53Å; L53-F95 HydrophobicContact CG-CE2 4Å; L53-F95 HydrophobicContact CG-CZ 4.26Å; F80-F95 HydrophobicContact CD2-CE1 4.5Å; F80-F95 HydrophobicContact CD2-CZ 4.09Å; F80-F95 AromaticContact CE2-CE1 3.58Å; F80-F95 HydrophobicContact CE2-CE1 3.58Å; F80-F95 AromaticContact CE2-CZ 3.59Å; F80-F95 HydrophobicContact CE2-CZ 3.59Å; F80-F95 HydrophobicContact CZ-CE1 4.38Å; Y83-F95 HydrophobicContact CD1-CD2 4.31Å; Y83-F95 AromaticContact CD1-CE2 3.93Å; Y83-F95 HydrophobicContact CD1-CE2 3.93Å; Y83-F95 AromaticContact CE1-CD2 3.7Å; Y83-F95 HydrophobicContact CE1-CD2 3.7Å; Y83-F95 AromaticContact CE1-CE2 3.64Å; Y83-F95 HydrophobicContact CE1-CE2 3.64Å; Y84-F95 AromaticContact CD2-CD1 3.67Å; Y84-F95 HydrophobicContact CD2-CD1 3.67Å; Y84-F95 AromaticContact CD2-CE1 3.96Å; Y84-F95 HydrophobicContact CD2-CE1 3.96Å; Y84-F95 HydrophobicContact CD2-CG 4.37Å; Y84-F95 AromaticContact CE2-CD1 3.86Å; Y84-F95 HydrophobicContact CE2-CD1 3.86Å; Y84-F95 HydrophobicContact CE2-CE1 4.45Å; L87-F95 HydrophobicContact CD1-CB 3.79Å; L87-F95 HydrophobicContact CD1-CD2 4.09Å; L87-F95 HydrophobicContact CD1-CG 3.88Å; D91-F95 VanDerWaalsContact O-CB 3.23Å; D91-F95 WeakPolarHBondContact O-CB 3.12Å; D91-F95 PolarHBondContact O-N 3.35Å; V93-F95 VanDerWaalsContact C-N 3.35Å; F95-S97 VanDerWaalsContact C-N 3.31Å; F95-S97 PolarHBondContact O-N 3.47Å; F95-K98 PolarHBondContact O-N 3.33Å; F95-L99 HydrophobicContact CE1-CB 4.48Å; F95-L99 HydrophobicContact CE1-CD2 4.34Å; F95-L99 WeakPolarHBondContact O-CB 3.32Å; F95-L99 PolarHBondContact O-N 3.37Å
96	L	92.1	Very high	90.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-34.3	179.7	-72	173.6	0	0	0	111.8	Y84 K92 V93 L99 S100 L163 L167 I170 I181 L184	Y84-L96 HydrophobicContact CE2-CD1 4.43Å; Y84-L96 HydrophobicContact CE2-CD2 4.1Å; Y84-L96 HydrophobicContact CE2-CG 4.03Å; Y84-L96 WeakPolarHBondContact OH-CD1 3.35Å; K92-L96 WeakPolarHBondContact O-CB 3.27Å; K92-L96 VanDerWaalsContact O-CG 3.32Å; K92-L96 WeakPolarHBondContact O-CG 3.44Å; K92-L96 PolarHBondContact O-N 3.46Å; V93-L96 PolarHBondContact O-N 2.98Å; L96-L99 HydrophobicContact CD2-CD2 4.34Å; L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.34Å; L96-S100 PolarHBondContact O-N 3.05Å; L96-S100 PolarHBondContact O-OG 2.91Å; L96-L163 HydrophobicContact CD2-CD1 4.41Å; L96-L163 HydrophobicContact CD2-CD2 4.1Å; L96-L163 HydrophobicContact CD2-CG 4.26Å; L96-L167 HydrophobicContact CD1-CD1 3.98Å; L96-I170 HydrophobicContact CD1-CD1 3.63Å; L96-I181 HydrophobicContact CB-CD1 4.14Å; L96-L184 HydrophobicContact CD2-CD2 4.22Å
97	S	90.3	Very high	90.8	Very high	25 Å²	25	59.6 Å²	59.6	18%	0.175	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-49.7	174.8	-63.7	0	0	0	0	110.8	V93 D94 F95 S100 Q101	V93-S97 VanDerWaalsContact O-CB 3.26Å; V93-S97 WeakPolarHBondContact O-CB 3.32Å; V93-S97 PolarHBondContact O-N 3.33Å; V93-S97 PolarHBondContact O-OG 3.38Å; D94-S97 PolarHBondContact O-N 3.07Å; F95-S97 VanDerWaalsContact C-N 3.31Å; F95-S97 PolarHBondContact O-N 3.47Å; S97-S100 PolarHBondContact O-N 3.5Å; S97-S100 PolarHBondContact O-OG 3.33Å; S97-Q101 WeakPolarHBondContact O-CG 3.23Å; S97-Q101 PolarHBondContact O-N 3.15Å
98	K	91.3	Very high	90.8	Very high	40 Å²	40	65.6 Å²	65.6	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-46.6	176.6	-168.8	73.1	155.6	174	0	111.9	M49 E50 L53 D94 F95 S100 Q101 E102	M49-K98 HydrophobicContact CE-CB 4.07Å; M49-K98 HydrophobicContact CE-CD 4.38Å; M49-K98 HydrophobicContact CE-CG 3.99Å; M49-K98 HydrophobicContact SD-CB 4.14Å; M49-K98 HydrophobicContact SD-CG 4.41Å; E50-K98 WeakPolarHBondContact OE1-CE 3.3Å; E50-K98 IonicContact OE1-NZ 3.93Å; E50-K98 PolarHBondContact OE1-NZ 3.29Å; L53-K98 HydrophobicContact CD1-CB 4.07Å; L53-K98 HydrophobicContact CD1-CG 3.54Å; D94-K98 WeakPolarHBondContact O-CB 3.24Å; D94-K98 PolarHBondContact O-N 2.94Å; F95-K98 PolarHBondContact O-N 3.33Å; K98-S100 VanDerWaalsContact C-N 3.32Å; K98-S100 PolarHBondContact O-N 2.84Å; K98-Q101 PolarHBondContact O-N 3.44Å; K98-E102 VanDerWaalsContact CD-CD 3.45Å; K98-E102 HydrophobicContact CD-CG 4.02Å; K98-E102 WeakPolarHBondContact CD-OE1 3.26Å; K98-E102 WeakPolarHBondContact CE-OE1 3.35Å; K98-E102 WeakPolarHBondContact CE-OE2 3.25Å; K98-E102 HydrophobicContact CG-CG 4.42Å; K98-E102 IonicContact NZ-OE1 3.42Å; K98-E102 PolarHBondContact NZ-OE1 3.36Å; K98-E102 IonicContact NZ-OE2 3.4Å; K98-E102 WeakPolarHBondContact O-CB 3.29Å; K98-E102 PolarHBondContact O-N 3.44Å
99	L	92.9	Very high	90.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-46.3	175.7	178.6	68.8	0	0	0	111.3	L53 V57 F95 L96 Q101 C103 L146 F147	L53-L99 HydrophobicContact CD2-CB 4.23Å; L53-L99 HydrophobicContact CD2-CD1 3.73Å; V57-L99 HydrophobicContact CG2-CD1 3.89Å; F95-L99 HydrophobicContact CE1-CB 4.48Å; F95-L99 HydrophobicContact CE1-CD2 4.34Å; F95-L99 WeakPolarHBondContact O-CB 3.32Å; F95-L99 PolarHBondContact O-N 3.37Å; L96-L99 HydrophobicContact CD2-CD2 4.34Å; L99-Q101 PolarHBondContact O-N 2.92Å; L99-C103 HydrophobicContact CD1-CB 3.93Å; L99-C103 WeakPolarHBondContact O-CA 3.37Å; L99-C103 WeakPolarHBondContact O-CB 3.38Å; L99-C103 PolarHBondContact O-N 3.3Å; L99-L146 HydrophobicContact CD1-CD2 4.14Å; L99-F147 HydrophobicContact CD2-CE1 4.49Å; L99-F147 HydrophobicContact CD2-CZ 4.46Å
100	S	92.3	Very high	91.3	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-34.4	-178.4	73.2	0	0	0	0	113.3	L96 S97 K98 H180	L96-S100 VanDerWaalsContact O-CB 3.31Å; L96-S100 WeakPolarHBondContact O-CB 3.34Å; L96-S100 PolarHBondContact O-N 3.05Å; L96-S100 PolarHBondContact O-OG 2.91Å; S97-S100 PolarHBondContact O-N 3.5Å; S97-S100 PolarHBondContact O-OG 3.33Å; K98-S100 VanDerWaalsContact C-N 3.32Å; K98-S100 PolarHBondContact O-N 2.84Å; S100-H180 WeakPolarHBondContact OG-CB 3.31Å
101	Q	90.4	Very high	91.7	Very high	103 Å²	103	51.8 Å²	51.8	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-81	-47.3	-178.1	-72.5	173.4	-1.7	0	0	112.2	S97 K98 L99 H180	S97-Q101 WeakPolarHBondContact O-CG 3.23Å; S97-Q101 PolarHBondContact O-N 3.15Å; K98-Q101 PolarHBondContact O-N 3.44Å; L99-Q101 PolarHBondContact O-N 2.92Å; Q101-H180 HydrophobicContact CG-CB 4.29Å
102	E	90.5	Very high	92	Very high	99 Å²	99	52.2 Å²	52.2	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-89	-28.5	-172.3	-62.1	-168.4	156.7	0	0	113.5	K98	K98-E102 VanDerWaalsContact CD-CD 3.45Å; K98-E102 HydrophobicContact CD-CG 4.02Å; K98-E102 WeakPolarHBondContact CD-OE1 3.26Å; K98-E102 WeakPolarHBondContact CE-OE1 3.35Å; K98-E102 WeakPolarHBondContact CE-OE2 3.25Å; K98-E102 HydrophobicContact CG-CG 4.42Å; K98-E102 IonicContact NZ-OE1 3.42Å; K98-E102 PolarHBondContact NZ-OE1 3.36Å; K98-E102 IonicContact NZ-OE2 3.4Å; K98-E102 WeakPolarHBondContact O-CB 3.29Å; K98-E102 PolarHBondContact O-N 3.44Å
103	C	91.2	Very high	92.2	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	-104.6	21.3	-178.7	-57	0	0	0	0	112.5	V57 L99 R142 Y143	V57-C103 HydrophobicContact CG1-CB 3.94Å; L99-C103 HydrophobicContact CD1-CB 3.93Å; L99-C103 WeakPolarHBondContact O-CA 3.37Å; L99-C103 WeakPolarHBondContact O-CB 3.38Å; L99-C103 PolarHBondContact O-N 3.3Å; C103-R142 HydrophobicContact CB-CB 4.28Å; C103-R142 WeakPolarHBondContact O-CA 3.27Å; C103-R142 WeakPolarHBondContact O-CB 3.41Å; C103-R142 PolarHBondContact O-N 3.06Å; C103-Y143 WeakPolarHBondContact O-CD1 3.01Å; C103-Y143 PolarHBondContact O-N 2.92Å
104	G	90.9	Very high	92.5	Very high	12 Å²	12	51.8 Å²	51.8	12%	0.124	27%	0.274	C	S	.	.	S	Bend	trans	-76.6	-149.7	175.4	0	0	0	0	0	113.8	R142	G104-R142 PolarHBondContact O-N 2.71Å
105	V	92.6	Very high	92.7	Very high	29 Å²	29	50.8 Å²	50.8	18%	0.176	27%	0.272	C	S	.	.			trans	-84.7	138.7	177.3	175.4	0	0	0	0	110	H107 V110 L139 P141	V105-H107 PolarHBondContact O-N 3.05Å; V105-H107 VanDerWaalsContact O-N 3.08Å; V105-V110 HydrophobicContact CG1-CG2 3.56Å; V105-L139 WeakPolarHBondContact CG2-O 3.41Å; V105-P141 HydrophobicContact CG2-CB 3.98Å
106	D	91.6	Very high	92.7	Very high	85 Å²	85	56.2 Å²	56.2	46%	0.455	30%	0.295	S	S	.	.			trans	-77.5	92.6	169.7	179.7	-0.3	0	0	0	110.3	K108 T109 V110	D106-K108 PolarHBondContact O-N 3.43Å; D106-K108 WeakPolarHBondContact OD1-CB 3.23Å; D106-K108 PolarHBondContact OD1-N 3.25Å; D106-T109 PolarHBondContact O-N 3.5Å; D106-T109 PolarHBondContact OD1-N 2.98Å; D106-T109 WeakPolarHBondContact OD2-CB 3.42Å; D106-T109 PolarHBondContact OD2-OG1 3.3Å; D106-V110 WeakPolarHBondContact O-CG2 3.28Å; D106-V110 PolarHBondContact O-N 2.98Å
107	H	92.4	Very high	92.8	Very high	123 Å²	123	57.5 Å²	57.5	57%	0.569	30%	0.302	S	S	*	.	H	α-helix	trans	-61.3	-25.6	-178.5	-63.2	-62.4	0	0	0	113.8	V105 S111	V105-H107 PolarHBondContact O-N 3.05Å; V105-H107 VanDerWaalsContact O-N 3.08Å; H107-S111 WeakPolarHBondContact O-CB 3.2Å; H107-S111 PolarHBondContact O-N 3.2Å; H107-S111 VanDerWaalsContact O-N 3.11Å; H107-S111 PolarHBondContact O-OG 2.86Å
108	K	93.9	Very high	92.9	Very high	149 Å²	149	62.4 Å²	62.4	65%	0.648	33%	0.326	S	S	*	.	H	α-helix	trans	-70	-53.3	177.6	-173.7	-174.8	175.7	-173.3	0	109.8	D106 V110 S111 E112	D106-K108 PolarHBondContact O-N 3.43Å; D106-K108 WeakPolarHBondContact OD1-CB 3.23Å; D106-K108 PolarHBondContact OD1-N 3.25Å; K108-V110 VanDerWaalsContact C-N 3.3Å; K108-V110 PolarHBondContact O-N 3.5Å; K108-S111 PolarHBondContact O-N 2.81Å; K108-E112 WeakPolarHBondContact CE-OE1 3.4Å; K108-E112 WeakPolarHBondContact O-CG 3.08Å; K108-E112 PolarHBondContact O-N 2.87Å; K108-E112 VanDerWaalsContact O-N 3.1Å
109	T	92.6	Very high	92.9	Very high	54 Å²	54	66.1 Å²	66.1	33%	0.331	35%	0.348	S	S	.	.	H	α-helix	trans	-60.6	-39.8	178.1	-63.8	0	0	0	0	111.8	D106 S111 E112 L113	D106-T109 PolarHBondContact O-N 3.5Å; D106-T109 PolarHBondContact OD1-N 2.98Å; D106-T109 WeakPolarHBondContact OD2-CB 3.42Å; D106-T109 PolarHBondContact OD2-OG1 3.3Å; T109-S111 PolarHBondContact O-N 2.85Å; T109-E112 PolarHBondContact O-N 3.09Å; T109-L113 HydrophobicContact CG2-CD1 3.9Å; T109-L113 HydrophobicContact CG2-CG 4.41Å; T109-L113 WeakPolarHBondContact O-CB 3.26Å; T109-L113 WeakPolarHBondContact O-CG 3.49Å; T109-L113 PolarHBondContact O-N 3.15Å
110	V	95.4	Very high	92.7	Very high	22 Å²	22	67 Å²	67	13%	0.133	35%	0.353	C	S	.	.	H	α-helix	trans	-60.7	-44.6	175.8	169.5	0	0	0	0	111.6	V105 D106 K108 E112 L113 A114 L135 L139	V105-V110 HydrophobicContact CG1-CG2 3.56Å; D106-V110 WeakPolarHBondContact O-CG2 3.28Å; D106-V110 PolarHBondContact O-N 2.98Å; K108-V110 VanDerWaalsContact C-N 3.3Å; K108-V110 PolarHBondContact O-N 3.5Å; V110-E112 PolarHBondContact O-N 3.04Å; V110-L113 PolarHBondContact O-N 3.35Å; V110-A114 VanDerWaalsContact O-CB 3.3Å; V110-A114 WeakPolarHBondContact O-CB 3.12Å; V110-A114 PolarHBondContact O-N 3.27Å; V110-L135 HydrophobicContact CG1-CD1 4.14Å; V110-L139 HydrophobicContact CG1-CD2 3.69Å; V110-L139 HydrophobicContact CG1-CG 4.35Å; V110-L139 HydrophobicContact CG2-CD2 3.94Å; V110-L139 HydrophobicContact CG2-CG 4.26Å
111	S	95.9	Very high	92.4	Very high	73 Å²	73	71.7 Å²	71.7	51%	0.51	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-40.3	-179.6	-58.5	0	0	0	0	112.1	H107 K108 T109 A114 T115	H107-S111 WeakPolarHBondContact O-CB 3.2Å; H107-S111 PolarHBondContact O-N 3.2Å; H107-S111 VanDerWaalsContact O-N 3.11Å; H107-S111 PolarHBondContact O-OG 2.86Å; K108-S111 PolarHBondContact O-N 2.81Å; T109-S111 PolarHBondContact O-N 2.85Å; S111-A114 PolarHBondContact O-N 3.2Å; S111-T115 PolarHBondContact O-N 3.44Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 3.12Å
112	E	95.2	Very high	92.2	Very high	91 Å²	91	78.5 Å²	78.5	43%	0.425	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-43.5	175.2	-69	175.6	-167.7	0	0	111.9	K108 T109 V110 T115 K116	K108-E112 WeakPolarHBondContact CE-OE1 3.4Å; K108-E112 WeakPolarHBondContact O-CG 3.08Å; K108-E112 PolarHBondContact O-N 2.87Å; K108-E112 VanDerWaalsContact O-N 3.1Å; T109-E112 PolarHBondContact O-N 3.09Å; V110-E112 PolarHBondContact O-N 3.04Å; E112-T115 PolarHBondContact O-N 2.96Å; E112-K116 WeakPolarHBondContact O-CG 3.32Å; E112-K116 PolarHBondContact O-N 3.07Å; E112-K116 VanDerWaalsContact O-N 3.11Å
113	L	94.2	Very high	92.3	Very high	36 Å²	36	81.6 Å²	81.6	19%	0.188	40%	0.403	C	S	.	.	H	α-helix	trans	-70.9	-35.1	178.1	-71.6	172.7	0	0	0	112.7	T109 V110 T115 K116 L117 L135 S138	T109-L113 HydrophobicContact CG2-CD1 3.9Å; T109-L113 HydrophobicContact CG2-CG 4.41Å; T109-L113 WeakPolarHBondContact O-CB 3.26Å; T109-L113 WeakPolarHBondContact O-CG 3.49Å; T109-L113 PolarHBondContact O-N 3.15Å; V110-L113 PolarHBondContact O-N 3.35Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-K116 HydrophobicContact CD2-CD 4.27Å; L113-K116 PolarHBondContact O-N 3.36Å; L113-L117 PolarHBondContact O-N 3.41Å; L113-L135 HydrophobicContact CB-CD1 3.96Å; L113-S138 WeakPolarHBondContact CD1-OG 3.41Å
114	A	95.3	Very high	92.4	Very high	38 Å²	38	85.6 Å²	85.6	31%	0.314	42%	0.424	S	S	.	.	H	α-helix	trans	-63	-41.9	174.9	0	0	0	0	0	111.1	V110 S111 L117 L118 L135	V110-A114 VanDerWaalsContact O-CB 3.3Å; V110-A114 WeakPolarHBondContact O-CB 3.12Å; V110-A114 PolarHBondContact O-N 3.27Å; S111-A114 PolarHBondContact O-N 3.2Å; A114-L117 WeakPolarHBondContact O-CB 3.47Å; A114-L117 PolarHBondContact O-N 3.08Å; A114-L118 PolarHBondContact O-N 3.13Å; A114-L135 HydrophobicContact CB-CD1 4.44Å
115	T	94.8	Very high	92.5	Very high	78 Å²	78	90.8 Å²	90.8	48%	0.479	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-46.7	174.5	-52.6	0	0	0	0	110.9	S111 E112 L113 L117 L118 D119	S111-T115 PolarHBondContact O-N 3.44Å; S111-T115 VanDerWaalsContact O-N 3.11Å; S111-T115 PolarHBondContact O-OG1 3.12Å; E112-T115 PolarHBondContact O-N 2.96Å; L113-T115 VanDerWaalsContact C-N 3.33Å; T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 PolarHBondContact O-N 3.12Å; T115-L118 WeakPolarHBondContact O-CB 3.44Å; T115-L118 PolarHBondContact O-N 2.81Å; T115-L118 VanDerWaalsContact O-N 3.1Å; T115-D119 PolarHBondContact O-N 3.16Å; T115-D119 VanDerWaalsContact O-N 3.17Å
116	K	91.7	Very high	92.6	Very high	116 Å²	116	92.6 Å²	92.6	50%	0.504	46%	0.464	S	S	.	.	H	α-helix	trans	-59.9	-35.3	176.1	-72.5	170.3	-176.8	169.8	0	113	E112 L113 L118 D119 T120	E112-K116 WeakPolarHBondContact O-CG 3.32Å; E112-K116 PolarHBondContact O-N 3.07Å; E112-K116 VanDerWaalsContact O-N 3.11Å; L113-K116 HydrophobicContact CD2-CD 4.27Å; L113-K116 PolarHBondContact O-N 3.36Å; K116-L118 VanDerWaalsContact C-N 3.35Å; K116-D119 PolarHBondContact O-N 3.38Å; K116-T120 WeakPolarHBondContact O-CB 3.3Å; K116-T120 PolarHBondContact O-N 3.07Å; K116-T120 VanDerWaalsContact O-N 3.11Å; K116-T120 PolarHBondContact O-OG1 3.35Å
117	L	93	Very high	92.7	Very high	26 Å²	26	90.4 Å²	90.4	14%	0.136	45%	0.453	C	S	.	.	H	α-helix	trans	-65.3	-39.1	176.7	179	62.9	0	0	0	111.5	L113 A114 T115 T120 Q121 A131 E132 L135	L113-L117 PolarHBondContact O-N 3.41Å; A114-L117 WeakPolarHBondContact O-CB 3.47Å; A114-L117 PolarHBondContact O-N 3.08Å; T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 PolarHBondContact O-N 3.12Å; L117-T120 PolarHBondContact O-N 2.91Å; L117-Q121 WeakPolarHBondContact O-CG 3.39Å; L117-Q121 PolarHBondContact O-N 2.84Å; L117-Q121 PolarHBondContact O-NE2 3.15Å; L117-A131 HydrophobicContact CD1-CB 3.75Å; L117-E132 HydrophobicContact CD1-CG 3.85Å; L117-E132 HydrophobicContact CD2-CG 4.3Å; L117-L135 HydrophobicContact CD2-CD2 3.73Å
118	L	92.7	Very high	92.8	Very high	128 Å²	128	85.2 Å²	85.2	67%	0.67	43%	0.43	S	S	*	.	H	α-helix	trans	-62.9	-43.6	175.5	-66	172.5	0	0	0	111.4	A114 T115 K116 T120 Q121	A114-L118 PolarHBondContact O-N 3.13Å; T115-L118 WeakPolarHBondContact O-CB 3.44Å; T115-L118 PolarHBondContact O-N 2.81Å; T115-L118 VanDerWaalsContact O-N 3.1Å; K116-L118 VanDerWaalsContact C-N 3.35Å; L118-T120 PolarHBondContact O-N 3Å; L118-Q121 WeakPolarHBondContact O-CG 3.22Å; L118-Q121 PolarHBondContact O-N 2.68Å
119	D	90.9	Very high	92.8	Very high	119 Å²	119	82.4 Å²	82.4	64%	0.636	42%	0.421	S	S	*	.	H	α-helix	trans	-65.6	-26.6	177.6	-63.4	-29.4	0	0	0	112.7	T115 K116	T115-D119 PolarHBondContact O-N 3.16Å; T115-D119 VanDerWaalsContact O-N 3.17Å; K116-D119 PolarHBondContact O-N 3.38Å
120	T	90.3	Very high	92.9	Very high	19 Å²	19	84.3 Å²	84.3	12%	0.117	43%	0.426	C	S	.	.	H	α-helix	trans	-85.8	-10.3	-176	-57.9	0	0	0	0	113.1	K116 L117 L118 R122 R123 T127 I128 A131	K116-T120 WeakPolarHBondContact O-CB 3.3Å; K116-T120 PolarHBondContact O-N 3.07Å; K116-T120 VanDerWaalsContact O-N 3.11Å; K116-T120 PolarHBondContact O-OG1 3.35Å; L117-T120 PolarHBondContact O-N 2.91Å; L118-T120 PolarHBondContact O-N 3Å; T120-R122 PolarHBondContact O-N 3.01Å; T120-R123 HydrophobicContact CG2-CB 4.3Å; T120-R123 HydrophobicContact CG2-CG 4.4Å; T120-R123 WeakPolarHBondContact O-CB 3.48Å; T120-R123 PolarHBondContact O-N 2.82Å; T120-T127 HydrophobicContact CG2-CG2 3.61Å; T120-I128 HydrophobicContact CG2-CG1 4.31Å; T120-A131 HydrophobicContact CG2-CB 4.34Å
121	Q	85.6	Confident	92.8	Very high	100 Å²	100	84.2 Å²	84.2	47%	0.467	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.2	-176.4	-69.2	-61.8	-54.2	0	0	114.7	L117 L118	L117-Q121 WeakPolarHBondContact O-CG 3.39Å; L117-Q121 PolarHBondContact O-N 2.84Å; L117-Q121 PolarHBondContact O-NE2 3.15Å; L118-Q121 WeakPolarHBondContact O-CG 3.22Å; L118-Q121 PolarHBondContact O-N 2.68Å
122	R	86.5	Confident	92.7	Very high	245 Å²	245	84.1 Å²	84.1	93%	0.925	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	2.4	178.6	-62.6	-176.2	178.6	178	0.2	113.9	T120	T120-R122 PolarHBondContact O-N 3.01Å
123	R	91.2	Very high	92.7	Very high	165 Å²	165	82.2 Å²	82.2	62%	0.623	41%	0.412	S	S	*	.	S	Bend	trans	-92.7	-178.5	-179.1	-60.8	-162.9	179.8	-171.6	0	111.4	T120 T127	T120-R123 HydrophobicContact CG2-CB 4.3Å; T120-R123 HydrophobicContact CG2-CG 4.4Å; T120-R123 WeakPolarHBondContact O-CB 3.48Å; T120-R123 PolarHBondContact O-N 2.82Å; R123-T127 HydrophobicContact CB-CG2 4.42Å
124	D	93.4	Very high	92.7	Very high	89 Å²	89	84.7 Å²	84.7	48%	0.476	42%	0.419	S	S	.	.			trans	-63.9	155.8	173.9	67.2	-73.1	0	0	0	112.1	A126 T127 I128	D124-A126 VanDerWaalsContact C-N 3.25Å; D124-A126 PolarHBondContact O-N 3.08Å; D124-A126 WeakPolarHBondContact OD2-CB 3.32Å; D124-A126 PolarHBondContact OD2-N 2.94Å; D124-T127 VanDerWaalsContact CG-OG1 3.3Å; D124-T127 PolarHBondContact O-N 2.83Å; D124-T127 WeakPolarHBondContact OD1-CB 3.48Å; D124-T127 PolarHBondContact OD1-OG1 3.46Å; D124-T127 PolarHBondContact OD2-N 2.95Å; D124-T127 PolarHBondContact OD2-OG1 3.44Å; D124-I128 PolarHBondContact O-N 3.41Å
125	Q	94.3	Very high	92.7	Very high	121 Å²	121	84.1 Å²	84.1	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-59.8	-33.5	-175.7	-170.6	62.9	33.3	0	0	113.1	I128 L129	Q125-I128 PolarHBondContact O-N 3.47Å; Q125-L129 HydrophobicContact CG-CD1 4.15Å; Q125-L129 HydrophobicContact CG-CG 4.37Å; Q125-L129 WeakPolarHBondContact O-CG 3.27Å; Q125-L129 PolarHBondContact O-N 3.06Å
126	A	94.8	Very high	92.7	Very high	68 Å²	68	88.2 Å²	88.2	56%	0.562	42%	0.417	S	S	*	.	H	α-helix	trans	-67.7	-41.8	-178.8	0	0	0	0	0	111	D124 I128 L129 Q130	D124-A126 VanDerWaalsContact C-N 3.25Å; D124-A126 PolarHBondContact O-N 3.08Å; D124-A126 WeakPolarHBondContact OD2-CB 3.32Å; D124-A126 PolarHBondContact OD2-N 2.94Å; A126-I128 VanDerWaalsContact C-N 3.34Å; A126-I128 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 2.9Å; A126-Q130 WeakPolarHBondContact O-CB 3.44Å; A126-Q130 PolarHBondContact O-N 3.35Å
127	T	93.5	Very high	92.8	Very high	39 Å²	39	84.5 Å²	84.5	24%	0.239	40%	0.4	C	S	.	.	H	α-helix	trans	-63.6	-39.4	174.6	-54.9	0	0	0	0	111.9	T120 R123 D124 Q130 A131	T120-T127 HydrophobicContact CG2-CG2 3.61Å; R123-T127 HydrophobicContact CB-CG2 4.42Å; D124-T127 VanDerWaalsContact CG-OG1 3.3Å; D124-T127 PolarHBondContact O-N 2.83Å; D124-T127 WeakPolarHBondContact OD1-CB 3.48Å; D124-T127 PolarHBondContact OD1-OG1 3.46Å; D124-T127 PolarHBondContact OD2-N 2.95Å; D124-T127 PolarHBondContact OD2-OG1 3.44Å; T127-Q130 PolarHBondContact O-N 3.4Å; T127-A131 PolarHBondContact O-N 2.97Å; T127-A131 VanDerWaalsContact O-N 3.08Å
128	I	93.6	Very high	92.8	Very high	14 Å²	14	84.1 Å²	84.1	7%	0.072	40%	0.399	C	S	.	.	H	α-helix	trans	-62.2	-51.6	176.6	-65.2	169.8	0	0	0	110.6	T120 D124 Q125 A126 Q130 A131 E132	T120-I128 HydrophobicContact CG2-CG1 4.31Å; D124-I128 PolarHBondContact O-N 3.41Å; Q125-I128 PolarHBondContact O-N 3.47Å; A126-I128 VanDerWaalsContact C-N 3.34Å; A126-I128 PolarHBondContact O-N 2.93Å; I128-Q130 VanDerWaalsContact C-N 3.27Å; I128-Q130 PolarHBondContact O-N 3.48Å; I128-A131 PolarHBondContact O-N 3.35Å; I128-A131 VanDerWaalsContact O-N 3.09Å; I128-E132 HydrophobicContact CG2-CG 4.44Å; I128-E132 WeakPolarHBondContact O-CG 3.48Å; I128-E132 PolarHBondContact O-N 3.17Å
129	L	94.7	Very high	93	Very high	90 Å²	90	82.3 Å²	82.3	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-61.2	-35.4	-179.8	-68.6	174.8	0	0	0	112.4	Q125 A126 E132 D133	Q125-L129 HydrophobicContact CG-CD1 4.15Å; Q125-L129 HydrophobicContact CG-CG 4.37Å; Q125-L129 WeakPolarHBondContact O-CG 3.27Å; Q125-L129 PolarHBondContact O-N 3.06Å; A126-L129 PolarHBondContact O-N 2.9Å; L129-E132 PolarHBondContact O-N 3.19Å; L129-D133 WeakPolarHBondContact O-CB 3.49Å; L129-D133 PolarHBondContact O-N 2.78Å
130	Q	93.6	Very high	93	Very high	94 Å²	94	77.7 Å²	77.7	44%	0.439	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-40.1	174.9	-169.7	-176.9	27.3	0	0	112.2	A126 T127 I128 R134	A126-Q130 WeakPolarHBondContact O-CB 3.44Å; A126-Q130 PolarHBondContact O-N 3.35Å; T127-Q130 PolarHBondContact O-N 3.4Å; I128-Q130 VanDerWaalsContact C-N 3.27Å; I128-Q130 PolarHBondContact O-N 3.48Å; Q130-R134 WeakPolarHBondContact O-CG 3.31Å; Q130-R134 PolarHBondContact O-N 3.02Å
131	A	93.3	Very high	93.2	Very high	20 Å²	20	77.2 Å²	77.2	17%	0.165	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-40.1	175.3	0	0	0	0	0	111.7	L117 T120 T127 I128 R134 L135	L117-A131 HydrophobicContact CD1-CB 3.75Å; T120-A131 HydrophobicContact CG2-CB 4.34Å; T127-A131 PolarHBondContact O-N 2.97Å; T127-A131 VanDerWaalsContact O-N 3.08Å; I128-A131 PolarHBondContact O-N 3.35Å; I128-A131 VanDerWaalsContact O-N 3.09Å; A131-R134 PolarHBondContact O-N 3.16Å; A131-L135 PolarHBondContact O-N 2.84Å
132	E	94.4	Very high	93.5	Very high	70 Å²	70	75.9 Å²	75.9	33%	0.327	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.1	-72	-177.9	-177.5	0	0	112.4	L117 I128 L129 L135 R136	L117-E132 HydrophobicContact CD1-CG 3.85Å; L117-E132 HydrophobicContact CD2-CG 4.3Å; I128-E132 HydrophobicContact CG2-CG 4.44Å; I128-E132 WeakPolarHBondContact O-CG 3.48Å; I128-E132 PolarHBondContact O-N 3.17Å; L129-E132 PolarHBondContact O-N 3.19Å; E132-L135 PolarHBondContact O-N 2.83Å; E132-R136 WeakPolarHBondContact O-CB 3.36Å; E132-R136 PolarHBondContact O-N 2.79Å
133	D	95	Very high	93.9	Very high	51 Å²	51	64.2 Å²	64.2	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-67.1	-37.8	178.9	-168.2	49.5	0	0	0	111.8	Y63 R66 L129 R136 Y137	Y63-D133 HydrophobicContact CE2-CB 4.42Å; Y63-D133 PolarHBondContact OH-OD2 2.98Å; R66-D133 IonicContact CZ-OD2 3.64Å; R66-D133 IonicContact NH1-OD2 2.76Å; R66-D133 PolarHBondContact NH1-OD2 3.27Å; R66-D133 IonicContact NH2-OD2 2.82Å; R66-D133 PolarHBondContact NH2-OD2 3.12Å; L129-D133 WeakPolarHBondContact O-CB 3.49Å; L129-D133 PolarHBondContact O-N 2.78Å; D133-R136 PolarHBondContact O-N 2.88Å; D133-Y137 WeakPolarHBondContact O-CB 3.43Å; D133-Y137 PolarHBondContact O-N 3Å
134	R	94.4	Very high	94	Very high	88 Å²	88	59.4 Å²	59.4	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-45.6	171.2	-79.4	177.9	165.9	177.2	-5.7	112.2	Y63 E64 Q130 A131 Y137 S138	Y63-R134 HydrophobicContact CD1-CG 3.78Å; Y63-R134 HydrophobicContact CD2-CB 4.17Å; Y63-R134 HydrophobicContact CD2-CG 3.51Å; Y63-R134 HydrophobicContact CE1-CG 3.68Å; Y63-R134 HydrophobicContact CE2-CB 3.97Å; Y63-R134 HydrophobicContact CE2-CG 3.31Å; Y63-R134 HydrophobicContact CG-CG 3.71Å; Y63-R134 VanDerWaalsContact CZ-CG 3.44Å; E64-R134 IonicContact OE1-CZ 3.93Å; E64-R134 IonicContact OE1-NE 3.76Å; E64-R134 IonicContact OE1-NH2 2.93Å; E64-R134 PolarHBondContact OE1-NH2 3.34Å; Q130-R134 WeakPolarHBondContact O-CG 3.31Å; Q130-R134 PolarHBondContact O-N 3.02Å; A131-R134 PolarHBondContact O-N 3.16Å; R134-Y137 PolarHBondContact O-N 2.86Å; R134-S138 PolarHBondContact O-N 3.25Å
135	L	95.2	Very high	93.9	Very high	26 Å²	26	58 Å²	58	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-45.5	176.3	-177.9	60.3	0	0	0	111	V110 L113 A114 L117 A131 E132 Y137 S138 L139	V110-L135 HydrophobicContact CG1-CD1 4.14Å; L113-L135 HydrophobicContact CB-CD1 3.96Å; A114-L135 HydrophobicContact CB-CD1 4.44Å; L117-L135 HydrophobicContact CD2-CD2 3.73Å; A131-L135 PolarHBondContact O-N 2.84Å; E132-L135 PolarHBondContact O-N 2.83Å; L135-Y137 VanDerWaalsContact C-N 3.31Å; L135-Y137 PolarHBondContact O-N 3.43Å; L135-S138 PolarHBondContact O-N 3.2Å; L135-S138 VanDerWaalsContact O-N 3.13Å; L135-S138 PolarHBondContact O-OG 3.03Å; L135-L139 HydrophobicContact CD1-CD1 4.42Å; L135-L139 HydrophobicContact CD1-CG 4.48Å; L135-L139 HydrophobicContact CG-CD1 4.08Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 2.83Å
136	R	94.9	Very high	93.8	Very high	164 Å²	164	52.6 Å²	52.6	62%	0.619	26%	0.259	S	S	*	.	H	α-helix	trans	-58.6	-41.1	177	-170.9	-175.9	-54.6	-136.3	-0	112.6	E132 D133 L139	E132-R136 WeakPolarHBondContact O-CB 3.36Å; E132-R136 PolarHBondContact O-N 2.79Å; D133-R136 PolarHBondContact O-N 2.88Å; R136-L139 PolarHBondContact O-N 3.14Å
137	Y	93.7	Very high	93.8	Very high	39 Å²	39	49.4 Å²	49.4	15%	0.153	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-46.3	174.4	-178.5	-106.6	0	0	0	111.4	P61 Y63 R66 D133 R134 L135 L139 T140	P61-Y137 WeakPolarHBondContact CD-OH 3.41Å; P61-Y137 WeakPolarHBondContact CG-OH 3.48Å; P61-Y137 WeakPolarHBondContact O-CE1 3.32Å; P61-Y137 PolarHBondContact O-OH 2.82Å; Y63-Y137 HydrophobicContact CD2-CD1 4.07Å; Y63-Y137 HydrophobicContact CD2-CG 4.1Å; R66-Y137 HydrophobicContact CB-CD2 4.4Å; R66-Y137 HydrophobicContact CB-CE2 3.69Å; D133-Y137 WeakPolarHBondContact O-CB 3.43Å; D133-Y137 PolarHBondContact O-N 3Å; R134-Y137 PolarHBondContact O-N 2.86Å; L135-Y137 VanDerWaalsContact C-N 3.31Å; L135-Y137 PolarHBondContact O-N 3.43Å; Y137-L139 VanDerWaalsContact C-N 3.28Å; Y137-L139 PolarHBondContact O-N 3.32Å; Y137-T140 VanDerWaalsContact O-CB 3.29Å; Y137-T140 WeakPolarHBondContact O-CB 3.25Å; Y137-T140 PolarHBondContact O-N 2.97Å
138	S	93.9	Very high	93.7	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-28	179.3	72	0	0	0	0	114.3	L113 R134 L135 T140	L113-S138 WeakPolarHBondContact CD1-OG 3.41Å; R134-S138 PolarHBondContact O-N 3.25Å; L135-S138 PolarHBondContact O-N 3.2Å; L135-S138 VanDerWaalsContact O-N 3.13Å; L135-S138 PolarHBondContact O-OG 3.03Å; S138-T140 PolarHBondContact O-N 3.42Å
139	L	95	Very high	93.6	Very high	90 Å²	90	49.4 Å²	49.4	47%	0.471	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.3	175	-75.8	167.1	0	0	0	113.1	V105 V110 L135 R136 Y137 P141	V105-L139 WeakPolarHBondContact CG2-O 3.41Å; V110-L139 HydrophobicContact CG1-CD2 3.69Å; V110-L139 HydrophobicContact CG1-CG 4.35Å; V110-L139 HydrophobicContact CG2-CD2 3.94Å; V110-L139 HydrophobicContact CG2-CG 4.26Å; L135-L139 HydrophobicContact CD1-CD1 4.42Å; L135-L139 HydrophobicContact CD1-CG 4.48Å; L135-L139 HydrophobicContact CG-CD1 4.08Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 2.83Å; R136-L139 PolarHBondContact O-N 3.14Å; Y137-L139 VanDerWaalsContact C-N 3.28Å; Y137-L139 PolarHBondContact O-N 3.32Å; L139-P141 WeakPolarHBondContact O-CD 3.39Å
140	T	92.4	Very high	93.6	Very high	22 Å²	22	45.1 Å²	45.1	14%	0.135	21%	0.21	C	C	.	.	S	Bend	trans	-81.5	119.1	176.2	-70.4	0	0	0	0	110.3	Y137 S138 K144	Y137-T140 VanDerWaalsContact O-CB 3.29Å; Y137-T140 WeakPolarHBondContact O-CB 3.25Å; Y137-T140 PolarHBondContact O-N 2.97Å; S138-T140 PolarHBondContact O-N 3.42Å; T140-K144 HydrophobicContact CG2-CB 4.25Å; T140-K144 HydrophobicContact CG2-CD 3.86Å; T140-K144 HydrophobicContact CG2-CG 4.45Å
141	P	93.9	Very high	93.6	Very high	9 Å²	9	42 Å²	42	6%	0.058	20%	0.199	C	C	.	.			trans	-68.6	148.6	178.4	26.7	-33.2	0	0	0	111.8	V105 L139 Y143 K144 T187	V105-P141 HydrophobicContact CG2-CB 3.98Å; L139-P141 WeakPolarHBondContact O-CD 3.39Å; P141-Y143 VanDerWaalsContact C-N 3.33Å; P141-Y143 HydrophobicContact CB-CD1 4.03Å; P141-Y143 HydrophobicContact CB-CD2 4.11Å; P141-Y143 HydrophobicContact CB-CE1 3.56Å; P141-Y143 HydrophobicContact CB-CE2 3.63Å; P141-Y143 HydrophobicContact CB-CG 4.27Å; P141-Y143 HydrophobicContact CG-CD2 4.07Å; P141-Y143 HydrophobicContact CG-CE1 4.21Å; P141-Y143 HydrophobicContact CG-CE2 3.37Å; P141-Y143 VanDerWaalsContact CG-CZ 3.44Å; P141-Y143 WeakPolarHBondContact CG-OH 3.39Å; P141-Y143 PolarHBondContact O-N 2.85Å; P141-K144 HydrophobicContact CG-CB 4.17Å; P141-K144 VanDerWaalsContact O-CB 3.27Å; P141-K144 WeakPolarHBondContact O-CB 3.44Å; P141-K144 PolarHBondContact O-N 3.28Å; P141-K144 VanDerWaalsContact O-N 3.1Å; P141-T187 HydrophobicContact CG-CG2 4.47Å
142	R	92.6	Very high	93.5	Very high	73 Å²	73	48.7 Å²	48.7	28%	0.275	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-38.3	-176.7	-58.8	177.3	56.6	-173	-4.9	112.5	V57 A58 L60 C103 G104 K144 Q145 L146	V57-R142 HydrophobicContact CG1-CB 4.05Å; V57-R142 PolarHBondContact O-NH2 3.15Å; A58-R142 PolarHBondContact O-NH2 2.88Å; L60-R142 HydrophobicContact CD1-CG 3.82Å; L60-R142 HydrophobicContact CG-CG 3.96Å; C103-R142 HydrophobicContact CB-CB 4.28Å; C103-R142 WeakPolarHBondContact O-CA 3.27Å; C103-R142 WeakPolarHBondContact O-CB 3.41Å; C103-R142 PolarHBondContact O-N 3.06Å; G104-R142 PolarHBondContact O-N 2.71Å; R142-K144 PolarHBondContact O-N 3.17Å; R142-K144 VanDerWaalsContact O-N 3.12Å; R142-Q145 PolarHBondContact O-N 2.89Å; R142-L146 PolarHBondContact O-N 2.84Å
143	Y	94	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-21.4	177.7	57.8	-116.4	0	0	0	113.2	C103 P141 Q145 L146 F147 D183 L184 T187	C103-Y143 WeakPolarHBondContact O-CD1 3.01Å; C103-Y143 PolarHBondContact O-N 2.92Å; P141-Y143 VanDerWaalsContact C-N 3.33Å; P141-Y143 HydrophobicContact CB-CD1 4.03Å; P141-Y143 HydrophobicContact CB-CD2 4.11Å; P141-Y143 HydrophobicContact CB-CE1 3.56Å; P141-Y143 HydrophobicContact CB-CE2 3.63Å; P141-Y143 HydrophobicContact CB-CG 4.27Å; P141-Y143 HydrophobicContact CG-CD2 4.07Å; P141-Y143 HydrophobicContact CG-CE1 4.21Å; P141-Y143 HydrophobicContact CG-CE2 3.37Å; P141-Y143 VanDerWaalsContact CG-CZ 3.44Å; P141-Y143 WeakPolarHBondContact CG-OH 3.39Å; P141-Y143 PolarHBondContact O-N 2.85Å; Y143-Q145 VanDerWaalsContact C-N 3.34Å; Y143-Q145 PolarHBondContact O-N 2.83Å; Y143-L146 WeakPolarHBondContact O-CB 3.5Å; Y143-L146 PolarHBondContact O-N 3.38Å; Y143-F147 HydrophobicContact CD2-CD2 4.39Å; Y143-F147 AromaticContact CD2-CE2 3.88Å; Y143-F147 HydrophobicContact CD2-CE2 3.88Å; Y143-F147 VanDerWaalsContact O-CD2 3.29Å; Y143-F147 WeakPolarHBondContact O-CD2 3.3Å; Y143-F147 VanDerWaalsContact O-CG 3.23Å; Y143-F147 WeakPolarHBondContact O-CG 3.34Å; Y143-F147 PolarHBondContact O-N 3.41Å; Y143-D183 PolarHBondContact OH-OD2 3.18Å; Y143-L184 HydrophobicContact CD1-CD1 3.71Å; Y143-L184 HydrophobicContact CD2-CD1 3.32Å; Y143-L184 HydrophobicContact CE1-CD1 3.89Å; Y143-L184 HydrophobicContact CE2-CD1 3.53Å; Y143-L184 HydrophobicContact CG-CD1 3.44Å; Y143-L184 VanDerWaalsContact CG-CD1 3.44Å; Y143-T187 HydrophobicContact CD2-CG2 4.33Å; Y143-T187 HydrophobicContact CE2-CG2 3.81Å
144	K	94	Very high	93.2	Very high	64 Å²	64	52.6 Å²	52.6	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-36.6	174.3	-176.2	173.4	160.8	-163.7	0	112	T140 P141 R142 S148 T187 L191	T140-K144 HydrophobicContact CG2-CB 4.25Å; T140-K144 HydrophobicContact CG2-CD 3.86Å; T140-K144 HydrophobicContact CG2-CG 4.45Å; P141-K144 HydrophobicContact CG-CB 4.17Å; P141-K144 VanDerWaalsContact O-CB 3.27Å; P141-K144 WeakPolarHBondContact O-CB 3.44Å; P141-K144 PolarHBondContact O-N 3.28Å; P141-K144 VanDerWaalsContact O-N 3.1Å; R142-K144 PolarHBondContact O-N 3.17Å; R142-K144 VanDerWaalsContact O-N 3.12Å; K144-S148 WeakPolarHBondContact O-CB 3.31Å; K144-S148 PolarHBondContact O-N 3.37Å; K144-S148 PolarHBondContact O-OG 2.84Å; K144-T187 HydrophobicContact CB-CG2 3.84Å; K144-T187 HydrophobicContact CD-CG2 4Å; K144-T187 HydrophobicContact CG-CG2 3.88Å; K144-L191 HydrophobicContact CG-CD1 4.24Å; K144-L191 HydrophobicContact CG-CD2 4.44Å
145	Q	89.6	Confident	93	Very high	60 Å²	60	50.1 Å²	50.1	28%	0.28	24%	0.238	S	C	.	.	H	α-helix	trans	-70.3	-41.2	174.7	-67	-60.5	-22.1	0	0	110.9	L60 R142 Y143 F147 S148 H149	L60-Q145 HydrophobicContact CD2-CG 3.52Å; R142-Q145 PolarHBondContact O-N 2.89Å; Y143-Q145 VanDerWaalsContact C-N 3.34Å; Y143-Q145 PolarHBondContact O-N 2.83Å; Q145-F147 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 2.91Å; Q145-S148 WeakPolarHBondContact O-CB 3.21Å; Q145-S148 PolarHBondContact O-N 3.07Å; Q145-S148 VanDerWaalsContact O-N 3.11Å; Q145-H149 VanDerWaalsContact O-CG 3.26Å; Q145-H149 PolarHBondContact O-N 2.89Å; Q145-H149 PolarHBondContact O-ND1 3.39Å
146	L	92.6	Very high	93	Very high	7 Å²	7	48.9 Å²	48.9	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-51.7	-53.9	171.4	173.5	67	0	0	0	110.9	V56 V57 F80 L99 R142 Y143 S148 H149 V150	V56-L146 HydrophobicContact CG1-CD1 3.44Å; V56-L146 VanDerWaalsContact CG1-CD1 3.44Å; V56-L146 HydrophobicContact CG1-CD2 4.37Å; V57-L146 HydrophobicContact CG2-CD2 4.09Å; F80-L146 HydrophobicContact CD1-CD1 4.18Å; F80-L146 HydrophobicContact CD1-CD2 4.38Å; F80-L146 HydrophobicContact CD1-CG 4.48Å; F80-L146 HydrophobicContact CE1-CD2 4Å; F80-L146 HydrophobicContact CE1-CG 4.35Å; F80-L146 HydrophobicContact CE2-CD2 4.32Å; F80-L146 HydrophobicContact CG-CD1 4.44Å; F80-L146 HydrophobicContact CZ-CD2 3.99Å; L99-L146 HydrophobicContact CD1-CD2 4.14Å; R142-L146 PolarHBondContact O-N 2.84Å; Y143-L146 WeakPolarHBondContact O-CB 3.5Å; Y143-L146 PolarHBondContact O-N 3.38Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.15Å; L146-H149 PolarHBondContact O-N 3.18Å; L146-H149 VanDerWaalsContact O-N 3.13Å; L146-V150 HydrophobicContact CD1-CG2 4.11Å; L146-V150 HydrophobicContact CG-CG2 4.38Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.37Å; L146-V150 PolarHBondContact O-N 2.9Å
147	F	95	Very high	93	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-36.7	179	-59.4	-28.3	0	0	0	112.7	L99 Y143 Q145 V150 S151 L160 L163 L184 L188 L191	L99-F147 HydrophobicContact CD2-CE1 4.49Å; L99-F147 HydrophobicContact CD2-CZ 4.46Å; Y143-F147 HydrophobicContact CD2-CD2 4.39Å; Y143-F147 AromaticContact CD2-CE2 3.88Å; Y143-F147 HydrophobicContact CD2-CE2 3.88Å; Y143-F147 VanDerWaalsContact O-CD2 3.29Å; Y143-F147 WeakPolarHBondContact O-CD2 3.3Å; Y143-F147 VanDerWaalsContact O-CG 3.23Å; Y143-F147 WeakPolarHBondContact O-CG 3.34Å; Y143-F147 PolarHBondContact O-N 3.41Å; Q145-F147 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 2.91Å; F147-V150 PolarHBondContact O-N 3.04Å; F147-S151 WeakPolarHBondContact O-CB 3.37Å; F147-S151 PolarHBondContact O-N 2.92Å; F147-L160 HydrophobicContact CB-CD1 4.32Å; F147-L160 HydrophobicContact CB-CD2 4.16Å; F147-L160 HydrophobicContact CD1-CD2 3.56Å; F147-L160 HydrophobicContact CE1-CD2 4.25Å; F147-L160 HydrophobicContact CG-CD2 4.08Å; F147-L160 WeakPolarHBondContact O-CD1 3.27Å; F147-L163 HydrophobicContact CE1-CD2 4.41Å; F147-L163 HydrophobicContact CZ-CD2 4.42Å; F147-L184 HydrophobicContact CE2-CD1 3.67Å; F147-L184 HydrophobicContact CE2-CG 4.48Å; F147-L184 HydrophobicContact CZ-CD1 3.63Å; F147-L184 HydrophobicContact CZ-CG 4.35Å; F147-L188 HydrophobicContact CB-CD1 4.5Å; F147-L188 HydrophobicContact CD2-CB 4.49Å; F147-L188 HydrophobicContact CD2-CD1 3.82Å; F147-L188 HydrophobicContact CE2-CB 4.19Å; F147-L188 HydrophobicContact CE2-CD1 4.1Å; F147-L188 HydrophobicContact CG-CD1 4.08Å; F147-L191 HydrophobicContact CB-CD1 3.67Å; F147-L191 HydrophobicContact CD2-CD1 4.14Å; F147-L191 HydrophobicContact CG-CD1 4.42Å
148	S	92.4	Very high	93.1	Very high	25 Å²	25	42.2 Å²	42.2	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-38	176.2	-57.8	0	0	0	0	111.9	K144 Q145 L146 S151	K144-S148 WeakPolarHBondContact O-CB 3.31Å; K144-S148 PolarHBondContact O-N 3.37Å; K144-S148 PolarHBondContact O-OG 2.84Å; Q145-S148 WeakPolarHBondContact O-CB 3.21Å; Q145-S148 PolarHBondContact O-N 3.07Å; Q145-S148 VanDerWaalsContact O-N 3.11Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.15Å; S148-S151 PolarHBondContact O-OG 2.77Å
149	H	91.2	Very high	93.2	Very high	29 Å²	29	41.7 Å²	41.7	13%	0.134	21%	0.205	C	C	.	.	H	α-helix	trans	-70.6	-44.3	174.8	-60.6	144.5	0	0	0	112.1	P72 Q145 L146 S151 R152	P72-H149 WeakPolarHBondContact CD-CE1 3.49Å; P72-H149 WeakPolarHBondContact CD-ND1 3.34Å; P72-H149 HydrophobicContact CG-CB 4.32Å; P72-H149 VanDerWaalsContact CG-ND1 3.29Å; P72-H149 WeakPolarHBondContact CG-ND1 3.17Å; Q145-H149 VanDerWaalsContact O-CG 3.26Å; Q145-H149 PolarHBondContact O-N 2.89Å; Q145-H149 PolarHBondContact O-ND1 3.39Å; L146-H149 PolarHBondContact O-N 3.18Å; L146-H149 VanDerWaalsContact O-N 3.13Å; H149-S151 PolarHBondContact O-N 3.26Å; H149-R152 WeakPolarHBondContact O-CB 3.43Å; H149-R152 PolarHBondContact O-N 3.3Å
150	V	94.3	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-36.9	175.4	173.6	0	0	0	0	110.8	F80 M81 L146 F147 R152 V153 G156 F159 L160	F80-V150 HydrophobicContact CD1-CG2 3.7Å; F80-V150 HydrophobicContact CE1-CG2 4.07Å; M81-V150 HydrophobicContact CG-CG1 4.24Å; M81-V150 HydrophobicContact SD-CG1 4.01Å; L146-V150 HydrophobicContact CD1-CG2 4.11Å; L146-V150 HydrophobicContact CG-CG2 4.38Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.37Å; L146-V150 PolarHBondContact O-N 2.9Å; F147-V150 PolarHBondContact O-N 3.04Å; V150-R152 PolarHBondContact O-N 3.35Å; V150-R152 VanDerWaalsContact O-N 3.09Å; V150-V153 VanDerWaalsContact O-CG2 3.24Å; V150-V153 WeakPolarHBondContact O-CG2 3.36Å; V150-V153 PolarHBondContact O-N 3.1Å; V150-G156 VanDerWaalsContact O-CA 3.3Å; V150-G156 WeakPolarHBondContact O-CA 3.47Å; V150-F159 HydrophobicContact CG1-CD1 3.92Å; V150-F159 HydrophobicContact CG1-CE1 4.46Å; V150-L160 HydrophobicContact CB-CD1 4.29Å; V150-L160 HydrophobicContact CB-CD2 4.3Å; V150-L160 HydrophobicContact CB-CG 4.44Å; V150-L160 HydrophobicContact CG1-CD1 4.1Å; V150-L160 HydrophobicContact CG1-CD2 3.96Å; V150-L160 HydrophobicContact CG1-CG 3.84Å
151	S	93.5	Very high	93.5	Very high	29 Å²	29	36.4 Å²	36.4	20%	0.203	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.5	178.3	75.8	0	0	0	0	114.9	F147 S148 H149 W195	F147-S151 WeakPolarHBondContact O-CB 3.37Å; F147-S151 PolarHBondContact O-N 2.92Å; S148-S151 PolarHBondContact O-OG 2.77Å; H149-S151 PolarHBondContact O-N 3.26Å; S151-W195 VanDerWaalsContact CB-CH2 3.46Å; S151-W195 WeakPolarHBondContact OG-CZ2 3.43Å
152	R	91.3	Very high	93.6	Very high	159 Å²	159	38.9 Å²	38.9	60%	0.6	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-21	-179	-61.4	176.9	-175	-176.1	0.8	113.2	H149 V150	H149-R152 WeakPolarHBondContact O-CB 3.43Å; H149-R152 PolarHBondContact O-N 3.3Å; V150-R152 PolarHBondContact O-N 3.35Å; V150-R152 VanDerWaalsContact O-N 3.09Å
153	V	92.3	Very high	93.7	Very high	12 Å²	12	35.4 Å²	35.4	7%	0.073	18%	0.176	C	C	.	.	S	Bend	trans	-85	155	-180	-54.9	0	0	0	0	111.4	E74 L78 M81 V150 G155 G156	E74-V153 HydrophobicContact CB-CG1 4.05Å; E74-V153 HydrophobicContact CG-CG1 4.15Å; L78-V153 HydrophobicContact CD2-CG2 4.4Å; M81-V153 HydrophobicContact CE-CG2 4.39Å; M81-V153 HydrophobicContact SD-CG2 3.53Å; M81-V153 VanDerWaalsContact SD-CG2 3.53Å; V150-V153 VanDerWaalsContact O-CG2 3.24Å; V150-V153 WeakPolarHBondContact O-CG2 3.36Å; V150-V153 PolarHBondContact O-N 3.1Å; V153-G155 PolarHBondContact O-N 3.21Å; V153-G156 PolarHBondContact O-N 3.44Å
154	E	90.1	Very high	93.9	Very high	192 Å²	192	35.6 Å²	35.6	90%	0.897	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	131.2	177.2	-169.4	177.1	180	0	0	111.3	G156	E154-G156 PolarHBondContact O-N 2.91Å; E154-G156 VanDerWaalsContact O-N 3.15Å
155	G	91.9	Very high	93.9	Very high	35 Å²	35	33.8 Å²	33.8	36%	0.361	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	2.6	-175.6	0	0	0	0	0	115.1	V153 K158 F159	V153-G155 PolarHBondContact O-N 3.21Å; G155-K158 PolarHBondContact O-N 3.19Å; G155-F159 PolarHBondContact O-N 3.38Å
156	G	94.8	Very high	94.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-40.7	-177.7	0	0	0	0	0	113.9	V150 V153 E154 F159 L160	V150-G156 VanDerWaalsContact O-CA 3.3Å; V150-G156 WeakPolarHBondContact O-CA 3.47Å; V153-G156 PolarHBondContact O-N 3.44Å; E154-G156 PolarHBondContact O-N 2.91Å; E154-G156 VanDerWaalsContact O-N 3.15Å; G156-F159 WeakPolarHBondContact O-CB 3.37Å; G156-F159 PolarHBondContact O-N 3.25Å; G156-L160 WeakPolarHBondContact O-CG 3.38Å; G156-L160 PolarHBondContact O-N 2.84Å
157	V	94.8	Very high	94.1	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-44.6	176.5	178.4	0	0	0	0	111.2	F159 L160 V161 F196 A250 M251	V157-F159 VanDerWaalsContact C-N 3.32Å; V157-F159 PolarHBondContact O-N 2.9Å; V157-L160 PolarHBondContact O-N 3.31Å; V157-V161 WeakPolarHBondContact O-CG2 3.44Å; V157-V161 PolarHBondContact O-N 3.47Å; V157-F196 HydrophobicContact CG1-CE2 3.71Å; V157-F196 HydrophobicContact CG1-CZ 3.64Å; V157-A250 HydrophobicContact CB-CB 4.26Å; V157-A250 HydrophobicContact CG2-CB 4.03Å; V157-M251 HydrophobicContact CG1-CG 4.41Å; V157-M251 HydrophobicContact CG1-SD 4.25Å
158	K	94.9	Very high	94	Very high	51 Å²	51	33.6 Å²	33.6	22%	0.222	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-46.8	174.6	177.6	64	170.7	73.6	0	111	G155 L160 V161 D162 M251 E254	G155-K158 PolarHBondContact O-N 3.19Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.88Å; K158-V161 WeakPolarHBondContact O-CB 3.1Å; K158-V161 PolarHBondContact O-N 3.42Å; K158-D162 IonicContact NZ-OD1 2.63Å; K158-D162 PolarHBondContact NZ-OD1 3.06Å; K158-D162 IonicContact NZ-OD2 3.76Å; K158-D162 PolarHBondContact NZ-OD2 2.88Å; K158-D162 PolarHBondContact O-N 3.41Å; K158-M251 HydrophobicContact CB-CG 4.12Å; K158-M251 HydrophobicContact CB-SD 4.31Å; K158-M251 HydrophobicContact CD-CE 3.45Å; K158-M251 VanDerWaalsContact CD-CE 3.45Å; K158-M251 HydrophobicContact CD-SD 4.2Å; K158-E254 HydrophobicContact CD-CG 4.47Å
159	F	96.3	Very high	93.9	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-58.7	-42.3	177.8	171.3	-87.8	0	0	0	112.4	F80 M81 Y84 R85 V150 G155 G156 V157 V161 D162 L163	F80-F159 HydrophobicContact CD1-CE1 4.11Å; F80-F159 HydrophobicContact CD1-CZ 4.38Å; F80-F159 AromaticContact CE1-CE1 3.53Å; F80-F159 HydrophobicContact CE1-CE1 3.53Å; F80-F159 AromaticContact CE1-CZ 3.93Å; F80-F159 HydrophobicContact CE1-CZ 3.93Å; F80-F159 HydrophobicContact CZ-CE1 4.15Å; F80-F159 HydrophobicContact CZ-CZ 4.23Å; M81-F159 HydrophobicContact CB-CD2 4.09Å; M81-F159 HydrophobicContact CB-CE2 4.04Å; M81-F159 HydrophobicContact CB-CG 4.45Å; M81-F159 HydrophobicContact CB-CZ 4.39Å; M81-F159 HydrophobicContact CE-CB 3.9Å; M81-F159 HydrophobicContact CE-CG 4.2Å; M81-F159 HydrophobicContact CG-CB 4.47Å; M81-F159 HydrophobicContact CG-CD1 3.81Å; M81-F159 HydrophobicContact CG-CD2 3.92Å; M81-F159 HydrophobicContact CG-CE1 3.98Å; M81-F159 HydrophobicContact CG-CE2 4.06Å; M81-F159 HydrophobicContact CG-CG 3.79Å; M81-F159 HydrophobicContact CG-CZ 4.1Å; Y84-F159 AromaticContact CD1-CE2 3.71Å; Y84-F159 HydrophobicContact CD1-CE2 3.71Å; Y84-F159 AromaticContact CD1-CZ 3.64Å; Y84-F159 HydrophobicContact CD1-CZ 3.64Å; Y84-F159 HydrophobicContact CG-CE2 4.27Å; Y84-F159 AromaticContact CG-CZ 3.93Å; Y84-F159 HydrophobicContact CG-CZ 3.93Å; R85-F159 HydrophobicContact CG-CD2 4.43Å; R85-F159 HydrophobicContact CG-CE2 4.27Å; V150-F159 HydrophobicContact CG1-CD1 3.92Å; V150-F159 HydrophobicContact CG1-CE1 4.46Å; G155-F159 PolarHBondContact O-N 3.38Å; G156-F159 WeakPolarHBondContact O-CB 3.37Å; G156-F159 PolarHBondContact O-N 3.25Å; V157-F159 VanDerWaalsContact C-N 3.32Å; V157-F159 PolarHBondContact O-N 2.9Å; F159-V161 VanDerWaalsContact C-N 3.32Å; F159-V161 PolarHBondContact O-N 3.31Å; F159-D162 PolarHBondContact O-N 2.82Å; F159-L163 HydrophobicContact CE1-CB 4.38Å; F159-L163 HydrophobicContact CE1-CD1 3.69Å; F159-L163 HydrophobicContact CZ-CD1 3.94Å; F159-L163 WeakPolarHBondContact O-CB 3.43Å; F159-L163 PolarHBondContact O-N 3.44Å
160	L	97.1	Very high	93.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-68	-31.8	178.3	-68.8	173.3	0	0	0	112.8	F147 V150 G156 V157 K158 R164 L188 W195	F147-L160 HydrophobicContact CB-CD1 4.32Å; F147-L160 HydrophobicContact CB-CD2 4.16Å; F147-L160 HydrophobicContact CD1-CD2 3.56Å; F147-L160 HydrophobicContact CE1-CD2 4.25Å; F147-L160 HydrophobicContact CG-CD2 4.08Å; F147-L160 WeakPolarHBondContact O-CD1 3.27Å; V150-L160 HydrophobicContact CB-CD1 4.29Å; V150-L160 HydrophobicContact CB-CD2 4.3Å; V150-L160 HydrophobicContact CB-CG 4.44Å; V150-L160 HydrophobicContact CG1-CD1 4.1Å; V150-L160 HydrophobicContact CG1-CD2 3.96Å; V150-L160 HydrophobicContact CG1-CG 3.84Å; G156-L160 WeakPolarHBondContact O-CG 3.38Å; G156-L160 PolarHBondContact O-N 2.84Å; V157-L160 PolarHBondContact O-N 3.31Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.88Å; L160-R164 WeakPolarHBondContact O-CB 3.5Å; L160-R164 PolarHBondContact O-N 3.47Å; L160-L188 HydrophobicContact CB-CD1 4.32Å; L160-L188 HydrophobicContact CD2-CD1 4.3Å; L160-W195 HydrophobicContact CD1-CH2 3.72Å; L160-W195 HydrophobicContact CD1-CZ3 3.52Å
161	V	96.5	Very high	93.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-46.9	170.6	172.6	0	0	0	0	110	V157 K158 F159 R164 A165 L192 F196 M251 Q302 G304 L305	V157-V161 WeakPolarHBondContact O-CG2 3.44Å; V157-V161 PolarHBondContact O-N 3.47Å; K158-V161 WeakPolarHBondContact O-CB 3.1Å; K158-V161 PolarHBondContact O-N 3.42Å; F159-V161 VanDerWaalsContact C-N 3.32Å; F159-V161 PolarHBondContact O-N 3.31Å; V161-R164 PolarHBondContact O-N 2.89Å; V161-A165 PolarHBondContact O-N 3.38Å; V161-L192 HydrophobicContact CG2-CD2 3.77Å; V161-F196 HydrophobicContact CG2-CE2 3.94Å; V161-F196 HydrophobicContact CG2-CZ 3.82Å; V161-M251 HydrophobicContact CG2-SD 4.2Å; V161-Q302 HydrophobicContact CG1-CB 3.87Å; V161-Q302 HydrophobicContact CG1-CG 4.42Å; V161-G304 VanDerWaalsContact O-CA 3.31Å; V161-G304 WeakPolarHBondContact O-CA 3.31Å; V161-L305 HydrophobicContact CG1-CD2 4.48Å; V161-L305 HydrophobicContact CG1-CG 4.06Å; V161-L305 HydrophobicContact CG2-CD2 3.85Å; V161-L305 HydrophobicContact CG2-CG 4.22Å
162	D	95.6	Very high	93	Very high	61 Å²	61	42.6 Å²	42.6	33%	0.326	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-43.2	179.1	-63.4	-24.2	0	0	0	112	K158 F159 R164 A165 D166	K158-D162 IonicContact NZ-OD1 2.63Å; K158-D162 PolarHBondContact NZ-OD1 3.06Å; K158-D162 IonicContact NZ-OD2 3.76Å; K158-D162 PolarHBondContact NZ-OD2 2.88Å; K158-D162 PolarHBondContact O-N 3.41Å; F159-D162 PolarHBondContact O-N 2.82Å; D162-R164 PolarHBondContact O-N 2.83Å; D162-A165 WeakPolarHBondContact O-CA 3.3Å; D162-A165 VanDerWaalsContact O-CB 3.27Å; D162-A165 WeakPolarHBondContact O-CB 3.49Å; D162-A165 PolarHBondContact O-N 2.66Å; D162-D166 PolarHBondContact O-N 2.83Å
163	L	96.6	Very high	92.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-38.2	174.4	-176	151.8	0	0	0	111.4	F80 Y84 L96 F147 F159 D166 L167 L188	F80-L163 HydrophobicContact CE1-CD1 4.34Å; F80-L163 HydrophobicContact CZ-CD1 3.89Å; Y84-L163 HydrophobicContact CD1-CD1 4.41Å; Y84-L163 HydrophobicContact CE1-CB 4.32Å; Y84-L163 HydrophobicContact CE1-CD1 4.21Å; Y84-L163 HydrophobicContact CE1-CG 4.15Å; Y84-L163 HydrophobicContact CE2-CD1 4.5Å; L96-L163 HydrophobicContact CD2-CD1 4.41Å; L96-L163 HydrophobicContact CD2-CD2 4.1Å; L96-L163 HydrophobicContact CD2-CG 4.26Å; F147-L163 HydrophobicContact CE1-CD2 4.41Å; F147-L163 HydrophobicContact CZ-CD2 4.42Å; F159-L163 HydrophobicContact CE1-CB 4.38Å; F159-L163 HydrophobicContact CE1-CD1 3.69Å; F159-L163 HydrophobicContact CZ-CD1 3.94Å; F159-L163 WeakPolarHBondContact O-CB 3.43Å; F159-L163 PolarHBondContact O-N 3.44Å; L163-D166 PolarHBondContact O-N 2.79Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.2Å; L163-L188 HydrophobicContact CD2-CD2 3.59Å
164	R	96.4	Very high	90.9	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-69.6	-33.4	173.9	-169.3	167	167.3	-125.7	-7.8	112.4	L160 V161 D162 L167 L168 N185 L188 L192 G304 Q306	L160-R164 WeakPolarHBondContact O-CB 3.5Å; L160-R164 PolarHBondContact O-N 3.47Å; V161-R164 PolarHBondContact O-N 2.89Å; D162-R164 PolarHBondContact O-N 2.83Å; R164-L167 WeakPolarHBondContact O-CB 3.49Å; R164-L167 PolarHBondContact O-N 3.03Å; R164-L168 HydrophobicContact CG-CD1 4.46Å; R164-L168 HydrophobicContact CG-CG 4.46Å; R164-L168 VanDerWaalsContact O-CG 3.31Å; R164-L168 WeakPolarHBondContact O-CG 3.19Å; R164-L168 PolarHBondContact O-N 2.69Å; R164-N185 PolarHBondContact NE-OD1 3.09Å; R164-L188 HydrophobicContact CB-CD2 3.58Å; R164-L188 HydrophobicContact CB-CG 4.21Å; R164-L188 HydrophobicContact CG-CD2 4.08Å; R164-L188 HydrophobicContact CG-CG 4.45Å; R164-L192 HydrophobicContact CB-CD1 4.19Å; R164-L192 HydrophobicContact CG-CD1 4.39Å; R164-G304 WeakPolarHBondContact CD-O 3.36Å; R164-G304 PolarHBondContact NH1-O 3.1Å; R164-Q306 PolarHBondContact NH2-O 2.88Å
165	A	94.9	Very high	89.1	Confident	25 Å²	25	40.8 Å²	40.8	21%	0.207	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-46.3	174.5	0	0	0	0	0	110.6	V161 D162 L167 L168 E169 A303	V161-A165 PolarHBondContact O-N 3.38Å; D162-A165 WeakPolarHBondContact O-CA 3.3Å; D162-A165 VanDerWaalsContact O-CB 3.27Å; D162-A165 WeakPolarHBondContact O-CB 3.49Å; D162-A165 PolarHBondContact O-N 2.66Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 3.04Å; A165-L168 PolarHBondContact O-N 3.03Å; A165-L168 VanDerWaalsContact O-N 3.16Å; A165-E169 PolarHBondContact O-N 3.34Å; A165-A303 HydrophobicContact CB-CB 4.11Å
166	D	93.8	Very high	87.3	Confident	36 Å²	36	41.5 Å²	41.5	19%	0.193	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-44.3	174	-68.5	-17.3	0	0	0	110.8	Y84 K92 D162 L163 L168 E169 I170	Y84-D166 PolarHBondContact OH-OD2 2.93Å; K92-D166 IonicContact NZ-OD1 2.81Å; K92-D166 IonicContact NZ-OD2 3.98Å; K92-D166 PolarHBondContact NZ-OD2 2.95Å; D162-D166 PolarHBondContact O-N 2.83Å; L163-D166 PolarHBondContact O-N 2.79Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.09Å; D166-E169 WeakPolarHBondContact O-CB 3.46Å; D166-E169 PolarHBondContact O-N 3.23Å; D166-I170 VanDerWaalsContact O-CG1 3.31Å; D166-I170 WeakPolarHBondContact O-CG1 3.31Å; D166-I170 PolarHBondContact O-N 3.39Å
167	L	92.7	Very high	85.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-37.7	177.1	-165.7	76.9	0	0	0	113.4	L96 L163 R164 A165 L171 I181 L184 N185	L96-L167 HydrophobicContact CD1-CD1 3.98Å; L163-L167 WeakPolarHBondContact O-CB 3.48Å; L163-L167 PolarHBondContact O-N 3.2Å; R164-L167 WeakPolarHBondContact O-CB 3.49Å; R164-L167 PolarHBondContact O-N 3.03Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 3.04Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.49Å; L167-I181 HydrophobicContact CD1-CD1 4.29Å; L167-I181 HydrophobicContact CD1-CG2 3.82Å; L167-I181 HydrophobicContact CG-CG2 4.41Å; L167-L184 HydrophobicContact CD1-CD2 3.91Å; L167-N185 HydrophobicContact CD2-CB 3.36Å; L167-N185 HydrophobicContact CG-CB 4.21Å
168	L	92.2	Very high	85.1	Confident	27 Å²	27	50.9 Å²	50.9	14%	0.141	27%	0.273	C	S	.	.	H	α-helix	trans	-70.9	-36.8	176.7	-71.1	171.7	0	0	0	111.8	R164 A165 D166 L171 T172 A303 Q306	R164-L168 HydrophobicContact CG-CD1 4.46Å; R164-L168 HydrophobicContact CG-CG 4.46Å; R164-L168 VanDerWaalsContact O-CG 3.31Å; R164-L168 WeakPolarHBondContact O-CG 3.19Å; R164-L168 PolarHBondContact O-N 2.69Å; A165-L168 PolarHBondContact O-N 3.03Å; A165-L168 VanDerWaalsContact O-N 3.16Å; D166-L168 VanDerWaalsContact C-N 3.34Å; D166-L168 PolarHBondContact O-N 3.09Å; L168-L171 PolarHBondContact O-N 2.89Å; L168-T172 PolarHBondContact O-N 2.72Å; L168-T172 VanDerWaalsContact O-N 3.12Å; L168-T172 PolarHBondContact O-OG1 3.25Å; L168-A303 WeakPolarHBondContact CD1-O 3.43Å; L168-Q306 HydrophobicContact CD1-CB 3.99Å
169	E	90.9	Very high	84.9	Confident	104 Å²	104	52.4 Å²	52.4	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-47.2	172.6	-170.9	176.5	168.6	0	0	110.2	K89 A165 D166 L171 T172 S173	K89-E169 IonicContact NZ-OE1 3.61Å; K89-E169 PolarHBondContact NZ-OE1 2.94Å; K89-E169 IonicContact NZ-OE2 3.96Å; A165-E169 PolarHBondContact O-N 3.34Å; D166-E169 WeakPolarHBondContact O-CB 3.46Å; D166-E169 PolarHBondContact O-N 3.23Å; E169-L171 PolarHBondContact O-N 3.22Å; E169-T172 PolarHBondContact O-N 2.91Å; E169-T172 VanDerWaalsContact O-N 3.13Å; E169-S173 PolarHBondContact O-N 3.07Å; E169-S173 VanDerWaalsContact O-N 3.08Å
170	I	88.6	Confident	84.6	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.077	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-48.3	176.5	-66.7	165.9	0	0	0	111.4	V93 L96 D166 T172 S173 A175	V93-I170 HydrophobicContact CB-CD1 4.34Å; V93-I170 HydrophobicContact CG1-CD1 4.48Å; V93-I170 HydrophobicContact CG1-CG2 4.2Å; V93-I170 HydrophobicContact CG2-CD1 3.94Å; V93-I170 HydrophobicContact CG2-CG1 3.87Å; L96-I170 HydrophobicContact CD1-CD1 3.63Å; D166-I170 VanDerWaalsContact O-CG1 3.31Å; D166-I170 WeakPolarHBondContact O-CG1 3.31Å; D166-I170 PolarHBondContact O-N 3.39Å; I170-T172 PolarHBondContact O-N 3.08Å; I170-S173 PolarHBondContact O-N 2.8Å; I170-S173 PolarHBondContact O-OG 2.81Å; I170-A175 HydrophobicContact CG2-CB 4.19Å
171	L	87.8	Confident	84.3	Confident	31 Å²	31	55.7 Å²	55.7	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-26.3	179	-79.3	171	0	0	0	113.9	L167 L168 E169 I181 R182 N185	L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.49Å; L168-L171 PolarHBondContact O-N 2.89Å; E169-L171 PolarHBondContact O-N 3.22Å; L171-I181 HydrophobicContact CD2-CG2 3.76Å; L171-I181 HydrophobicContact CG-CG2 3.94Å; L171-R182 HydrophobicContact CD2-CG 3.79Å; L171-N185 HydrophobicContact CD1-CB 3.91Å; L171-N185 WeakPolarHBondContact CD1-ND2 3.45Å
172	T	84.4	Confident	84.1	Confident	122 Å²	122	62.1 Å²	62.1	75%	0.748	33%	0.328	S	S	*	.	H	α-helix	trans	-81.5	-32.8	178.9	-53.9	0	0	0	0	111.4	L168 E169 I170	L168-T172 PolarHBondContact O-N 2.72Å; L168-T172 VanDerWaalsContact O-N 3.12Å; L168-T172 PolarHBondContact O-OG1 3.25Å; E169-T172 PolarHBondContact O-N 2.91Å; E169-T172 VanDerWaalsContact O-N 3.13Å; I170-T172 PolarHBondContact O-N 3.08Å
173	S	79.8	Confident	84	Confident	58 Å²	58	62.9 Å²	62.9	41%	0.406	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	159.2	170.6	78.4	0	0	0	0	111.5	E169 I170 A175 S176	E169-S173 PolarHBondContact O-N 3.07Å; E169-S173 VanDerWaalsContact O-N 3.08Å; I170-S173 PolarHBondContact O-N 2.8Å; I170-S173 PolarHBondContact O-OG 2.81Å; S173-A175 PolarHBondContact O-N 2.89Å; S173-S176 PolarHBondContact O-N 3.31Å
174	K	58.4	Low	83.9	Confident	216 Å²	216	62.9 Å²	62.9	94%	0.939	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	2.2	-175.4	-70.2	179.7	177.3	178.1	0	115.9	S176	K174-S176 PolarHBondContact O-N 3.05Å; K174-S176 VanDerWaalsContact O-N 3.11Å
175	A	53.4	Low	83.8	Confident	51 Å²	51	64 Å²	64	42%	0.421	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	6	164.8	0	0	0	0	0	114.2	I170 S173 E177 N178	I170-A175 HydrophobicContact CG2-CB 4.19Å; S173-A175 PolarHBondContact O-N 2.89Å; A175-E177 PolarHBondContact O-N 3.25Å; A175-N178 PolarHBondContact O-N 2.96Å
176	S	53.6	Low	83.8	Confident	51 Å²	51	64.7 Å²	64.7	36%	0.357	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-11	-173.8	-157	0	0	0	0	117	S173 K174 R182	S173-S176 PolarHBondContact O-N 3.31Å; K174-S176 PolarHBondContact O-N 3.05Å; K174-S176 VanDerWaalsContact O-N 3.11Å; S176-R182 VanDerWaalsContact O-CZ 3.25Å; S176-R182 PolarHBondContact O-NE 2.68Å; S176-R182 PolarHBondContact O-NH2 2.99Å
177	E	62.7	Low	83.9	Confident	173 Å²	173	63.9 Å²	63.9	81%	0.808	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.3	-173.4	-67.8	-169.4	174.6	0	0	115.7	A175 P179	A175-E177 PolarHBondContact O-N 3.25Å; E177-P179 WeakPolarHBondContact O-CD 3.45Å
178	N	81.6	Confident	84.1	Confident	35 Å²	35	63.9 Å²	63.9	19%	0.187	34%	0.344	C	S	.	.			trans	-73.9	110.2	-179.2	-171.4	-16.9	0	0	0	111.4	A175 H180 I181 R182	A175-N178 PolarHBondContact O-N 2.96Å; N178-H180 VanDerWaalsContact C-N 3.26Å; N178-H180 PolarHBondContact O-N 2.92Å; N178-H180 WeakPolarHBondContact OD1-CB 3.48Å; N178-H180 PolarHBondContact OD1-CD2 3.3Å; N178-H180 PolarHBondContact OD1-N 3.49Å; N178-I181 HydrophobicContact CB-CB 4.35Å; N178-I181 HydrophobicContact CB-CG1 4.09Å; N178-I181 PolarHBondContact O-N 2.9Å; N178-R182 PolarHBondContact O-N 3.37Å
179	P	89.1	Confident	84.2	Confident	84 Å²	84	66.5 Å²	66.5	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-29.2	-179.3	28.2	-34.8	0	0	0	112.5	E177 I181 R182 D183	E177-P179 WeakPolarHBondContact O-CD 3.45Å; P179-I181 PolarHBondContact O-N 2.93Å; P179-R182 PolarHBondContact O-N 3.25Å; P179-D183 PolarHBondContact O-N 3.32Å
180	H	91	Very high	84.4	Confident	69 Å²	69	64.5 Å²	64.5	32%	0.319	35%	0.352	S	S	.	.	H	α-helix	trans	-66.6	-37.8	179.9	-60.2	-77.5	0	0	0	112.1	S100 Q101 N178 R182 D183 L184	S100-H180 WeakPolarHBondContact OG-CB 3.31Å; Q101-H180 HydrophobicContact CG-CB 4.29Å; N178-H180 VanDerWaalsContact C-N 3.26Å; N178-H180 PolarHBondContact O-N 2.92Å; N178-H180 WeakPolarHBondContact OD1-CB 3.48Å; N178-H180 PolarHBondContact OD1-CD2 3.3Å; N178-H180 PolarHBondContact OD1-N 3.49Å; H180-R182 VanDerWaalsContact C-N 3.34Å; H180-D183 PolarHBondContact O-N 2.64Å; H180-L184 WeakPolarHBondContact O-CB 3.46Å; H180-L184 PolarHBondContact O-N 2.86Å
181	I	91.2	Very high	84.7	Confident	5 Å²	5	64.4 Å²	64.4	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-37.3	175.5	-68.2	-66.8	0	0	0	111.2	L96 L167 L171 N178 P179 L184 N185	L96-I181 HydrophobicContact CB-CD1 4.14Å; L167-I181 HydrophobicContact CD1-CD1 4.29Å; L167-I181 HydrophobicContact CD1-CG2 3.82Å; L167-I181 HydrophobicContact CG-CG2 4.41Å; L171-I181 HydrophobicContact CD2-CG2 3.76Å; L171-I181 HydrophobicContact CG-CG2 3.94Å; N178-I181 HydrophobicContact CB-CB 4.35Å; N178-I181 HydrophobicContact CB-CG1 4.09Å; N178-I181 PolarHBondContact O-N 2.9Å; P179-I181 PolarHBondContact O-N 2.93Å; I181-L184 PolarHBondContact O-N 3.43Å; I181-N185 WeakPolarHBondContact O-CB 3.44Å; I181-N185 PolarHBondContact O-N 3.37Å
182	R	91.4	Very high	85.1	Confident	136 Å²	136	63 Å²	63	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-40.6	175.5	-66.7	178.6	-179.4	174.6	-1.9	111.5	L171 S176 N178 P179 H180 N185 G186	L171-R182 HydrophobicContact CD2-CG 3.79Å; S176-R182 VanDerWaalsContact O-CZ 3.25Å; S176-R182 PolarHBondContact O-NE 2.68Å; S176-R182 PolarHBondContact O-NH2 2.99Å; N178-R182 PolarHBondContact O-N 3.37Å; P179-R182 PolarHBondContact O-N 3.25Å; H180-R182 VanDerWaalsContact C-N 3.34Å; R182-N185 PolarHBondContact O-N 3.38Å; R182-G186 PolarHBondContact O-N 3.4Å
183	D	93.1	Very high	85.5	Confident	78 Å²	78	59.4 Å²	59.4	42%	0.417	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-44.5	175.4	-174.3	49.9	0	0	0	112	Y143 P179 H180 N185 G186 T187	Y143-D183 PolarHBondContact OH-OD2 3.18Å; P179-D183 PolarHBondContact O-N 3.32Å; H180-D183 PolarHBondContact O-N 2.64Å; D183-N185 VanDerWaalsContact C-N 3.33Å; D183-N185 PolarHBondContact O-N 2.9Å; D183-G186 PolarHBondContact O-N 3.49Å; D183-G186 VanDerWaalsContact O-N 3.14Å; D183-T187 PolarHBondContact O-N 2.94Å; D183-T187 PolarHBondContact O-OG1 3.03Å
184	L	94.6	Very high	86.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-55.6	-47	172.9	-173.4	68.2	0	0	0	111.3	L96 Y143 F147 L167 H180 I181 T187 L188	L96-L184 HydrophobicContact CD2-CD2 4.22Å; Y143-L184 HydrophobicContact CD1-CD1 3.71Å; Y143-L184 HydrophobicContact CD2-CD1 3.32Å; Y143-L184 HydrophobicContact CE1-CD1 3.89Å; Y143-L184 HydrophobicContact CE2-CD1 3.53Å; Y143-L184 HydrophobicContact CG-CD1 3.44Å; Y143-L184 VanDerWaalsContact CG-CD1 3.44Å; F147-L184 HydrophobicContact CE2-CD1 3.67Å; F147-L184 HydrophobicContact CE2-CG 4.48Å; F147-L184 HydrophobicContact CZ-CD1 3.63Å; F147-L184 HydrophobicContact CZ-CG 4.35Å; L167-L184 HydrophobicContact CD1-CD2 3.91Å; H180-L184 WeakPolarHBondContact O-CB 3.46Å; H180-L184 PolarHBondContact O-N 2.86Å; I181-L184 PolarHBondContact O-N 3.43Å; L184-T187 PolarHBondContact O-N 3.12Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 PolarHBondContact O-N 2.99Å
185	N	95	Very high	87.8	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.144	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-42.8	176.4	-178	37.8	0	0	0	112.1	R164 L167 L171 I181 R182 D183 T187 L188 K189	R164-N185 PolarHBondContact NE-OD1 3.09Å; L167-N185 HydrophobicContact CD2-CB 3.36Å; L167-N185 HydrophobicContact CG-CB 4.21Å; L171-N185 HydrophobicContact CD1-CB 3.91Å; L171-N185 WeakPolarHBondContact CD1-ND2 3.45Å; I181-N185 WeakPolarHBondContact O-CB 3.44Å; I181-N185 PolarHBondContact O-N 3.37Å; R182-N185 PolarHBondContact O-N 3.38Å; D183-N185 VanDerWaalsContact C-N 3.33Å; D183-N185 PolarHBondContact O-N 2.9Å; N185-T187 VanDerWaalsContact C-N 3.34Å; N185-T187 PolarHBondContact O-N 3.39Å; N185-L188 PolarHBondContact O-N 3.22Å; N185-K189 WeakPolarHBondContact O-CB 3.38Å; N185-K189 PolarHBondContact O-N 2.7Å
186	G	94.8	Very high	89.6	Confident	40 Å²	40	53.3 Å²	53.3	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-59.4	-45.3	176.9	0	0	0	0	0	112	R182 D183 S190	R182-G186 PolarHBondContact O-N 3.4Å; D183-G186 PolarHBondContact O-N 3.49Å; D183-G186 VanDerWaalsContact O-N 3.14Å; G186-S190 WeakPolarHBondContact O-CB 3.26Å; G186-S190 PolarHBondContact O-N 3.15Å
187	T	95.6	Very high	91.3	Very high	19 Å²	19	52.9 Å²	52.9	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-48.1	177	-64.9	0	0	0	0	111.8	P141 Y143 K144 D183 L184 N185 S190 L191	P141-T187 HydrophobicContact CG-CG2 4.47Å; Y143-T187 HydrophobicContact CD2-CG2 4.33Å; Y143-T187 HydrophobicContact CE2-CG2 3.81Å; K144-T187 HydrophobicContact CB-CG2 3.84Å; K144-T187 HydrophobicContact CD-CG2 4Å; K144-T187 HydrophobicContact CG-CG2 3.88Å; D183-T187 PolarHBondContact O-N 2.94Å; D183-T187 PolarHBondContact O-OG1 3.03Å; L184-T187 PolarHBondContact O-N 3.12Å; N185-T187 VanDerWaalsContact C-N 3.34Å; N185-T187 PolarHBondContact O-N 3.39Å; T187-S190 WeakPolarHBondContact O-CB 3.43Å; T187-S190 PolarHBondContact O-N 3.37Å; T187-L191 PolarHBondContact O-N 3.36Å
188	L	96	Very high	92.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-41.1	-179.7	-171	56.7	0	0	0	111.7	F147 L160 L163 R164 L184 N185 S190 L191 L192	F147-L188 HydrophobicContact CB-CD1 4.5Å; F147-L188 HydrophobicContact CD2-CB 4.49Å; F147-L188 HydrophobicContact CD2-CD1 3.82Å; F147-L188 HydrophobicContact CE2-CB 4.19Å; F147-L188 HydrophobicContact CE2-CD1 4.1Å; F147-L188 HydrophobicContact CG-CD1 4.08Å; L160-L188 HydrophobicContact CB-CD1 4.32Å; L160-L188 HydrophobicContact CD2-CD1 4.3Å; L163-L188 HydrophobicContact CD2-CD2 3.59Å; R164-L188 HydrophobicContact CB-CD2 3.58Å; R164-L188 HydrophobicContact CB-CG 4.21Å; R164-L188 HydrophobicContact CG-CD2 4.08Å; R164-L188 HydrophobicContact CG-CG 4.45Å; L184-L188 WeakPolarHBondContact O-CB 3.43Å; L184-L188 PolarHBondContact O-N 2.99Å; N185-L188 PolarHBondContact O-N 3.22Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.78Å; L188-L191 PolarHBondContact O-N 3.48Å; L188-L192 HydrophobicContact CD1-CD1 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.08Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.18Å; L188-L192 PolarHBondContact O-N 3.05Å
189	K	96	Very high	92.7	Very high	82 Å²	82	47.7 Å²	47.7	36%	0.357	28%	0.275	S	S	.	.	H	α-helix	trans	-55.7	-46.8	170.9	179.7	179.8	176.8	179.6	0	111	N185 L191 L192 S193 G307	N185-K189 WeakPolarHBondContact O-CB 3.38Å; N185-K189 PolarHBondContact O-N 2.7Å; K189-L191 PolarHBondContact O-N 3.49Å; K189-L192 PolarHBondContact O-N 3.38Å; K189-S193 WeakPolarHBondContact O-CB 3.38Å; K189-S193 PolarHBondContact O-N 3.24Å; K189-S193 PolarHBondContact O-OG 3.29Å; K189-G307 WeakPolarHBondContact CE-O 3.48Å; K189-G307 PolarHBondContact NZ-O 3.03Å
190	S	94.9	Very high	92.8	Very high	62 Å²	62	48.2 Å²	48.2	43%	0.434	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-41.7	-179.9	-174.5	0	0	0	0	112.6	G186 T187 L188 K194	G186-S190 WeakPolarHBondContact O-CB 3.26Å; G186-S190 PolarHBondContact O-N 3.15Å; T187-S190 WeakPolarHBondContact O-CB 3.43Å; T187-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact C-N 3.32Å; L188-S190 PolarHBondContact O-N 2.78Å; S190-K194 PolarHBondContact O-N 3.42Å
191	L	95.3	Very high	92.8	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-49.5	175	-69.6	175.9	0	0	0	111.5	K144 F147 T187 L188 K189 S193 K194 W195	K144-L191 HydrophobicContact CG-CD1 4.24Å; K144-L191 HydrophobicContact CG-CD2 4.44Å; F147-L191 HydrophobicContact CB-CD1 3.67Å; F147-L191 HydrophobicContact CD2-CD1 4.14Å; F147-L191 HydrophobicContact CG-CD1 4.42Å; T187-L191 PolarHBondContact O-N 3.36Å; L188-L191 PolarHBondContact O-N 3.48Å; K189-L191 PolarHBondContact O-N 3.49Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.9Å; L191-K194 WeakPolarHBondContact O-CB 3.41Å; L191-K194 PolarHBondContact O-N 3.44Å; L191-W195 HydrophobicContact CB-CE3 4.36Å; L191-W195 HydrophobicContact CB-CH2 3.86Å; L191-W195 HydrophobicContact CB-CZ2 4.08Å; L191-W195 HydrophobicContact CB-CZ3 4.01Å; L191-W195 HydrophobicContact CD1-CH2 4.01Å; L191-W195 HydrophobicContact CD1-CZ2 4.39Å; L191-W195 HydrophobicContact CD2-CZ2 4.25Å; L191-W195 HydrophobicContact CG-CH2 4.39Å; L191-W195 HydrophobicContact CG-CZ2 4.48Å; L191-W195 PolarHBondContact O-N 3.2Å
192	L	95.3	Very high	92.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-37.5	178.5	-68.6	167.7	0	0	0	111.8	V161 R164 L188 K189 K194 W195 F196 L305 V308	V161-L192 HydrophobicContact CG2-CD2 3.77Å; R164-L192 HydrophobicContact CB-CD1 4.19Å; R164-L192 HydrophobicContact CG-CD1 4.39Å; L188-L192 HydrophobicContact CD1-CD1 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.08Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.18Å; L188-L192 PolarHBondContact O-N 3.05Å; K189-L192 PolarHBondContact O-N 3.38Å; L192-K194 PolarHBondContact O-N 3.15Å; L192-W195 HydrophobicContact CD2-CE3 4Å; L192-W195 HydrophobicContact CD2-CZ3 4.31Å; L192-W195 PolarHBondContact O-N 3.04Å; L192-F196 HydrophobicContact CB-CD2 4.34Å; L192-F196 HydrophobicContact CD2-CD2 4.09Å; L192-F196 HydrophobicContact CD2-CE2 3.62Å; L192-F196 WeakPolarHBondContact O-CB 3.21Å; L192-F196 VanDerWaalsContact O-CD2 3.31Å; L192-F196 WeakPolarHBondContact O-CD2 3.23Å; L192-F196 PolarHBondContact O-N 3.08Å; L192-L305 HydrophobicContact CB-CD2 4.38Å; L192-L305 HydrophobicContact CD1-CD2 4.47Å; L192-L305 HydrophobicContact CD2-CD2 4.34Å; L192-V308 HydrophobicContact CB-CG2 4.3Å
193	S	93.1	Very high	93	Very high	48 Å²	48	48.3 Å²	48.3	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-29.7	174.4	-66.2	0	0	0	0	113.5	K189 L191	K189-S193 WeakPolarHBondContact O-CB 3.38Å; K189-S193 PolarHBondContact O-N 3.24Å; K189-S193 PolarHBondContact O-OG 3.29Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.9Å
194	K	92.4	Very high	93.1	Very high	137 Å²	137	48.3 Å²	48.3	60%	0.596	27%	0.271	S	S	*	.	H	α-helix	trans	-79.7	-44.1	175.1	-65.6	176.5	-176.1	-175.5	0	111.9	S190 L191 L192 F196 A197	S190-K194 PolarHBondContact O-N 3.42Å; L191-K194 WeakPolarHBondContact O-CB 3.41Å; L191-K194 PolarHBondContact O-N 3.44Å; L192-K194 PolarHBondContact O-N 3.15Å; K194-F196 VanDerWaalsContact C-N 3.34Å; K194-A197 WeakPolarHBondContact O-CB 3.33Å; K194-A197 PolarHBondContact O-N 3.3Å
195	W	93.4	Very high	93.2	Very high	55 Å²	55	53.5 Å²	53.5	21%	0.208	29%	0.29	C	S	.	.	H	α-helix	trans	-70.8	-30.2	-178.4	-60	-31.8	0	0	0	113.1	S151 L160 L191 L192 A197 L200 H248	S151-W195 VanDerWaalsContact CB-CH2 3.46Å; S151-W195 WeakPolarHBondContact OG-CZ2 3.43Å; L160-W195 HydrophobicContact CD1-CH2 3.72Å; L160-W195 HydrophobicContact CD1-CZ3 3.52Å; L191-W195 HydrophobicContact CB-CE3 4.36Å; L191-W195 HydrophobicContact CB-CH2 3.86Å; L191-W195 HydrophobicContact CB-CZ2 4.08Å; L191-W195 HydrophobicContact CB-CZ3 4.01Å; L191-W195 HydrophobicContact CD1-CH2 4.01Å; L191-W195 HydrophobicContact CD1-CZ2 4.39Å; L191-W195 HydrophobicContact CD2-CZ2 4.25Å; L191-W195 HydrophobicContact CG-CH2 4.39Å; L191-W195 HydrophobicContact CG-CZ2 4.48Å; L191-W195 PolarHBondContact O-N 3.2Å; L192-W195 HydrophobicContact CD2-CE3 4Å; L192-W195 HydrophobicContact CD2-CZ3 4.31Å; L192-W195 PolarHBondContact O-N 3.04Å; W195-A197 VanDerWaalsContact C-N 3.34Å; W195-L200 VanDerWaalsContact O-CD1 3.24Å; W195-L200 WeakPolarHBondContact O-CD1 3.31Å; W195-H248 PolarHBondContact O-NE2 3.17Å
196	F	92.3	Very high	93.2	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.018	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	29.5	176.1	-66.1	-94.4	0	0	0	112.4	V157 V161 L192 K194 L201 H248 M251 L256 L305 V308 L310	V157-F196 HydrophobicContact CG1-CE2 3.71Å; V157-F196 HydrophobicContact CG1-CZ 3.64Å; V161-F196 HydrophobicContact CG2-CE2 3.94Å; V161-F196 HydrophobicContact CG2-CZ 3.82Å; L192-F196 HydrophobicContact CB-CD2 4.34Å; L192-F196 HydrophobicContact CD2-CD2 4.09Å; L192-F196 HydrophobicContact CD2-CE2 3.62Å; L192-F196 WeakPolarHBondContact O-CB 3.21Å; L192-F196 VanDerWaalsContact O-CD2 3.31Å; L192-F196 WeakPolarHBondContact O-CD2 3.23Å; L192-F196 PolarHBondContact O-N 3.08Å; K194-F196 VanDerWaalsContact C-N 3.34Å; F196-L201 HydrophobicContact CD1-CD2 4.16Å; F196-H248 HydrophobicContact CE1-CB 4.22Å; F196-M251 HydrophobicContact CE1-SD 4.05Å; F196-M251 HydrophobicContact CZ-SD 3.67Å; F196-L256 HydrophobicContact CD1-CD1 3.57Å; F196-L256 HydrophobicContact CE1-CD1 3.61Å; F196-L256 HydrophobicContact CE1-CD2 3.97Å; F196-L256 HydrophobicContact CE1-CG 4.46Å; F196-L305 HydrophobicContact CD1-CD1 3.98Å; F196-L305 HydrophobicContact CD1-CD2 4.39Å; F196-L305 HydrophobicContact CD2-CD2 3.78Å; F196-L305 HydrophobicContact CE1-CD1 3.82Å; F196-L305 HydrophobicContact CE1-CD2 4.38Å; F196-L305 HydrophobicContact CE2-CD2 3.79Å; F196-L305 HydrophobicContact CG-CD1 4.44Å; F196-L305 HydrophobicContact CG-CD2 4.09Å; F196-L305 HydrophobicContact CZ-CD1 4.17Å; F196-L305 HydrophobicContact CZ-CD2 4.08Å; F196-V308 HydrophobicContact CB-CG1 4.28Å; F196-L310 HydrophobicContact CB-CD2 3.83Å
197	A	89.6	Confident	93.2	Very high	42 Å²	42	51.9 Å²	51.9	35%	0.347	27%	0.273	S	S	.	.			trans	-60.7	145.5	169.8	0	0	0	0	0	110.2	K194 W195 G199 L200	K194-A197 WeakPolarHBondContact O-CB 3.33Å; K194-A197 PolarHBondContact O-N 3.3Å; W195-A197 VanDerWaalsContact C-N 3.34Å; A197-G199 PolarHBondContact O-N 3.45Å; A197-L200 WeakPolarHBondContact O-CB 3.26Å; A197-L200 PolarHBondContact O-N 2.87Å
198	V	85.6	Confident	93.2	Very high	28 Å²	28	55.8 Å²	55.8	17%	0.17	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-57.2	-31.1	-171.6	177.8	0	0	0	0	113.4	L200 L201 Y313 R317	V198-L200 PolarHBondContact O-N 2.91Å; V198-L201 PolarHBondContact O-N 3.12Å; V198-Y313 HydrophobicContact CB-CD1 4.41Å; V198-Y313 HydrophobicContact CB-CD2 4.38Å; V198-Y313 HydrophobicContact CB-CG 4.12Å; V198-Y313 HydrophobicContact CG1-CD1 3.99Å; V198-Y313 HydrophobicContact CG1-CG 3.81Å; V198-Y313 HydrophobicContact CG2-CD1 3.92Å; V198-Y313 HydrophobicContact CG2-CD2 3.14Å; V198-Y313 HydrophobicContact CG2-CE1 4.33Å; V198-Y313 HydrophobicContact CG2-CE2 3.63Å; V198-Y313 HydrophobicContact CG2-CG 3.28Å; V198-R317 PolarHBondContact O-NH2 2.9Å
199	G	86.8	Confident	93.1	Very high	72 Å²	72	63.4 Å²	63.4	74%	0.742	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.5	176.4	0	0	0	0	0	113.9	A197	A197-G199 PolarHBondContact O-N 3.45Å
200	L	90.9	Very high	93	Very high	95 Å²	95	60.6 Å²	60.6	50%	0.497	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-96.2	-7.6	179.8	-57.9	173.6	0	0	0	112.6	W195 A197 V198	W195-L200 VanDerWaalsContact O-CD1 3.24Å; W195-L200 WeakPolarHBondContact O-CD1 3.31Å; A197-L200 WeakPolarHBondContact O-CB 3.26Å; A197-L200 PolarHBondContact O-N 2.87Å; V198-L200 PolarHBondContact O-N 2.91Å
201	L	92.1	Very high	93	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.8	179.2	-55.7	179.7	0	0	0	111	F196 V198 F246 H248 L256 L310 R317	F196-L201 HydrophobicContact CD1-CD2 4.16Å; V198-L201 PolarHBondContact O-N 3.12Å; L201-F246 HydrophobicContact CB-CD1 4.09Å; L201-F246 HydrophobicContact CB-CE1 4.42Å; L201-F246 HydrophobicContact CB-CG 4.34Å; L201-F246 HydrophobicContact CD1-CD2 4.1Å; L201-F246 HydrophobicContact CD1-CE2 4.39Å; L201-F246 HydrophobicContact CD1-CG 4.29Å; L201-H248 HydrophobicContact CD2-CB 4.13Å; L201-L256 HydrophobicContact CD2-CD1 3.72Å; L201-L310 HydrophobicContact CD1-CD2 3.74Å; L201-R317 PolarHBondContact O-NH1 2.84Å
202	R	92.9	Very high	93	Very high	163 Å²	163	66.3 Å²	66.3	62%	0.615	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.4	173.1	-64.3	-178.6	-177.9	175.8	0.1	109.2	F246 T247	R202-F246 WeakPolarHBondContact O-CA 3.47Å; R202-F246 WeakPolarHBondContact O-CD1 3.29Å; R202-T247 PolarHBondContact N-O 2.92Å; R202-T247 PolarHBondContact O-N 2.92Å
203	L	94.2	Very high	92.9	Very high	44 Å²	44	71.7 Å²	71.7	23%	0.23	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.7	171.3	-174.5	69	0	0	0	107.5	Y244 F246 L314 R317 V318	L203-Y244 HydrophobicContact CD1-CD1 4.49Å; L203-Y244 HydrophobicContact CD2-CD1 4.34Å; L203-Y244 HydrophobicContact CG-CD1 4.31Å; L203-F246 HydrophobicContact CB-CD1 4.23Å; L203-F246 HydrophobicContact CB-CE1 4Å; L203-F246 HydrophobicContact CD1-CD1 3.95Å; L203-F246 HydrophobicContact CD1-CE1 3.88Å; L203-L314 HydrophobicContact CD1-CD1 3.62Å; L203-R317 HydrophobicContact CD2-CB 4.01Å; L203-V318 HydrophobicContact CD1-CG2 3.81Å; L203-V318 HydrophobicContact CD2-CG2 3.86Å; L203-V318 HydrophobicContact CG-CG2 4.46Å
204	E	94.3	Very high	92.9	Very high	78 Å²	78	70 Å²	70	36%	0.364	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.4	177.2	-70	179.8	-158.1	0	0	109.7	Y244 A245 T247	E204-Y244 CarbonylContact O-C 3.57Å; E204-Y244 WeakPolarHBondContact O-CA 3.4Å; E204-A245 PolarHBondContact N-O 3.32Å; E204-A245 PolarHBondContact O-N 3.45Å; E204-T247 HydrophobicContact CB-CG2 4.47Å; E204-T247 VanDerWaalsContact CD-OG1 3.28Å; E204-T247 HydrophobicContact CG-CG2 4.22Å; E204-T247 PolarHBondContact OE1-OG1 3.4Å
205	R	96	Very high	93	Very high	109 Å²	109	64.1 Å²	64.1	41%	0.411	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.6	169.5	-177.1	-180	170.4	177.1	-2.2	108.6	T207 R242 Y244 E325	R205-T207 HydrophobicContact CG-CG2 4.02Å; R205-R242 VanDerWaalsContact NH2-NH1 3.1Å; R205-Y244 HydrophobicContact CB-CD1 4.11Å; R205-Y244 HydrophobicContact CB-CE1 3.94Å; R205-Y244 HydrophobicContact CG-CD1 4.45Å; R205-Y244 HydrophobicContact CG-CE1 4.06Å; R205-E325 IonicContact NH1-OE1 3.96Å; R205-E325 PolarHBondContact NH1-OE1 2.92Å
206	I	95.8	Very high	93	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127	176	-50.3	-58.2	0	0	0	108.6	I214 L215 I218 V237 C243 A245	I206-I214 HydrophobicContact CD1-CD1 3.81Å; I206-I214 HydrophobicContact CD1-CG1 4.48Å; I206-I214 HydrophobicContact CD1-CG2 4.38Å; I206-L215 HydrophobicContact CG2-CD2 3.67Å; I206-I218 HydrophobicContact CB-CD1 4.17Å; I206-I218 HydrophobicContact CD1-CD1 4.29Å; I206-I218 HydrophobicContact CG1-CD1 3.77Å; I206-I218 HydrophobicContact CG2-CD1 3.63Å; I206-V237 HydrophobicContact CG2-CG1 4.33Å; I206-C243 HydrophobicContact CB-CB 4.1Å; I206-C243 PolarHBondContact N-O 3Å; I206-A245 HydrophobicContact CD1-CB 4.07Å; I206-A245 HydrophobicContact CG1-CB 4Å
207	T	95.4	Very high	93	Very high	30 Å²	30	67.5 Å²	67.5	18%	0.184	36%	0.355	C	S	.	.			trans	-131.2	176.2	-178.6	63.1	0	0	0	0	109.7	R205 Q209 S210	R205-T207 HydrophobicContact CG-CG2 4.02Å; T207-Q209 PolarHBondContact O-N 2.95Å; T207-Q209 PolarHBondContact OG1-N 3.48Å; T207-Q209 PolarHBondContact OG1-OE1 3.49Å; T207-S210 PolarHBondContact N-OG 3.47Å; T207-S210 VanDerWaalsContact O-CB 3.3Å; T207-S210 WeakPolarHBondContact O-CB 3.23Å; T207-S210 PolarHBondContact O-N 3.32Å; T207-S210 VanDerWaalsContact O-N 3.13Å; T207-S210 PolarHBondContact O-OG 3.47Å
208	W	93.9	Very high	93.2	Very high	100 Å²	100	65.6 Å²	65.6	38%	0.379	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	173.6	-162.9	-112.2	0	0	0	113.2	S210 L215 W230 L233 K234 V237	W208-S210 VanDerWaalsContact C-N 3.35Å; W208-L215 HydrophobicContact CE3-CD1 4.27Å; W208-L215 HydrophobicContact CZ3-CD1 4.38Å; W208-W230 AromaticContact CH2-CE3 3.96Å; W208-W230 HydrophobicContact CH2-CE3 3.96Å; W208-W230 HydrophobicContact CZ2-CE3 4.1Å; W208-W230 HydrophobicContact CZ2-CZ3 4.25Å; W208-L233 HydrophobicContact CZ3-CG 4.49Å; W208-K234 HydrophobicContact CD2-CB 4.11Å; W208-K234 HydrophobicContact CD2-CD 4.16Å; W208-K234 HydrophobicContact CD2-CG 3.66Å; W208-K234 HydrophobicContact CE3-CB 3.71Å; W208-K234 HydrophobicContact CE3-CG 3.77Å; W208-K234 HydrophobicContact CG-CG 4.19Å; W208-K234 HydrophobicContact CH2-CB 3.73Å; W208-K234 HydrophobicContact CH2-CG 4.23Å; W208-K234 HydrophobicContact CZ2-CB 4.12Å; W208-K234 HydrophobicContact CZ2-CD 4.04Å; W208-K234 HydrophobicContact CZ2-CG 4.14Å; W208-K234 VanDerWaalsContact CZ3-CA 3.44Å; W208-K234 HydrophobicContact CZ3-CB 3.51Å; W208-K234 HydrophobicContact CZ3-CG 4.05Å; W208-V237 HydrophobicContact CB-CG2 4.21Å; W208-V237 HydrophobicContact CE3-CG2 3.85Å
209	Q	94.2	Very high	93.6	Very high	161 Å²	161	66.4 Å²	66.4	75%	0.752	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.6	174.9	-64	76.3	17.5	0	0	112.9	T207	T207-Q209 PolarHBondContact O-N 2.95Å; T207-Q209 PolarHBondContact OG1-N 3.48Å; T207-Q209 PolarHBondContact OG1-OE1 3.49Å
210	S	94.8	Very high	93.8	Very high	22 Å²	22	68.7 Å²	68.7	15%	0.154	34%	0.337	C	S	.	.	S	Bend	trans	-65.5	153.2	177.4	-61.2	0	0	0	0	111.5	T207 W208 C212	T207-S210 PolarHBondContact N-OG 3.47Å; T207-S210 VanDerWaalsContact O-CB 3.3Å; T207-S210 WeakPolarHBondContact O-CB 3.23Å; T207-S210 PolarHBondContact O-N 3.32Å; T207-S210 VanDerWaalsContact O-N 3.13Å; T207-S210 PolarHBondContact O-OG 3.47Å; W208-S210 VanDerWaalsContact C-N 3.35Å; S210-C212 PolarHBondContact O-N 2.82Å
211	P	95.1	Very high	93.8	Very high	95 Å²	95	67.7 Å²	67.7	62%	0.617	33%	0.327	S	S	*	.			trans	-53.8	139.1	179.6	-27.1	35	0	0	0	113	E213 I214 L215	P211-E213 PolarHBondContact O-N 3.41Å; P211-E213 VanDerWaalsContact O-N 3.1Å; P211-I214 WeakPolarHBondContact O-CG2 3.37Å; P211-I214 PolarHBondContact O-N 3.36Å; P211-I214 VanDerWaalsContact O-N 3.09Å; P211-L215 PolarHBondContact O-N 3.4Å
212	C	94.1	Very high	93.7	Very high	102 Å²	102	68.1 Å²	68.1	69%	0.689	33%	0.329	S	S	*	.	H	α-helix	trans	-57.2	-31.9	-178.6	-170.1	0	0	0	0	112.7	S210 I214 L215 Q216	S210-C212 PolarHBondContact O-N 2.82Å; C212-I214 PolarHBondContact O-N 2.97Å; C212-L215 PolarHBondContact O-N 3.02Å; C212-Q216 WeakPolarHBondContact O-CB 3.29Å; C212-Q216 PolarHBondContact O-N 2.78Å
213	E	93.9	Very high	93.4	Very high	113 Å²	113	62.9 Å²	62.9	53%	0.528	32%	0.32	S	S	.	.	H	α-helix	trans	-58.2	-45.2	176.7	-169.7	-170.5	155.6	0	0	112.6	P211 Q216 K217	P211-E213 PolarHBondContact O-N 3.41Å; P211-E213 VanDerWaalsContact O-N 3.1Å; E213-Q216 PolarHBondContact O-N 2.93Å; E213-K217 WeakPolarHBondContact O-CG 3.43Å; E213-K217 PolarHBondContact O-N 2.92Å; E213-K217 WeakPolarHBondContact OE1-CE 3.21Å; E213-K217 IonicContact OE1-NZ 3.33Å; E213-K217 PolarHBondContact OE1-NZ 2.91Å
214	I	92.9	Very high	93	Very high	13 Å²	13	61.9 Å²	61.9	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-70.8	-37.2	-179.7	-155.3	168	0	0	0	111.1	I206 P211 C212 Q216 K217 I218 P255	I206-I214 HydrophobicContact CD1-CD1 3.81Å; I206-I214 HydrophobicContact CD1-CG1 4.48Å; I206-I214 HydrophobicContact CD1-CG2 4.38Å; P211-I214 WeakPolarHBondContact O-CG2 3.37Å; P211-I214 PolarHBondContact O-N 3.36Å; P211-I214 VanDerWaalsContact O-N 3.09Å; C212-I214 PolarHBondContact O-N 2.97Å; I214-Q216 VanDerWaalsContact C-N 3.34Å; I214-K217 PolarHBondContact O-N 2.97Å; I214-I218 HydrophobicContact CG1-CD1 4.32Å; I214-I218 WeakPolarHBondContact O-CB 3.29Å; I214-I218 WeakPolarHBondContact O-CD1 3.37Å; I214-I218 VanDerWaalsContact O-CG1 3.24Å; I214-I218 WeakPolarHBondContact O-CG1 3.16Å; I214-I218 PolarHBondContact O-N 3.11Å; I214-P255 HydrophobicContact CG1-CG 4.27Å
215	L	94	Very high	92.6	Very high	12 Å²	12	59 Å²	59	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-41.4	175.2	-72.3	175.9	0	0	0	111.4	I206 W208 P211 C212 I218 S219 L233 V237	I206-L215 HydrophobicContact CG2-CD2 3.67Å; W208-L215 HydrophobicContact CE3-CD1 4.27Å; W208-L215 HydrophobicContact CZ3-CD1 4.38Å; P211-L215 PolarHBondContact O-N 3.4Å; C212-L215 PolarHBondContact O-N 3.02Å; L215-I218 PolarHBondContact O-N 3.25Å; L215-S219 PolarHBondContact O-N 3.04Å; L215-L233 HydrophobicContact CB-CD2 3.91Å; L215-L233 HydrophobicContact CD2-CD2 4.43Å; L215-L233 HydrophobicContact CD2-CG 4.5Å; L215-V237 HydrophobicContact CD2-CG1 4.33Å
216	Q	93.9	Very high	92.3	Very high	108 Å²	108	57.6 Å²	57.6	51%	0.505	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-47.7	174.3	-175.7	-178.5	17	0	0	111.3	C212 E213 I214 I218 S219 Q220	C212-Q216 WeakPolarHBondContact O-CB 3.29Å; C212-Q216 PolarHBondContact O-N 2.78Å; E213-Q216 PolarHBondContact O-N 2.93Å; I214-Q216 VanDerWaalsContact C-N 3.34Å; Q216-I218 PolarHBondContact O-N 2.92Å; Q216-S219 WeakPolarHBondContact O-CB 3.17Å; Q216-S219 PolarHBondContact O-N 2.58Å; Q216-Q220 WeakPolarHBondContact O-CG 3.35Å; Q216-Q220 PolarHBondContact O-N 2.68Å
217	K	93.4	Very high	91.9	Very high	23 Å²	23	58.5 Å²	58.5	10%	0.1	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-44.1	176.8	-74.2	177.9	-172.7	173.3	0	111.8	E213 I214 S219 Q220 Y221 G253 E254 P255	E213-K217 WeakPolarHBondContact O-CG 3.43Å; E213-K217 PolarHBondContact O-N 2.92Å; E213-K217 WeakPolarHBondContact OE1-CE 3.21Å; E213-K217 IonicContact OE1-NZ 3.33Å; E213-K217 PolarHBondContact OE1-NZ 2.91Å; I214-K217 PolarHBondContact O-N 2.97Å; K217-S219 VanDerWaalsContact C-N 3.31Å; K217-S219 PolarHBondContact O-N 3.45Å; K217-Q220 PolarHBondContact O-N 3.47Å; K217-Q220 VanDerWaalsContact O-N 3.16Å; K217-Y221 HydrophobicContact CB-CD2 4Å; K217-Y221 HydrophobicContact CB-CE2 3.78Å; K217-Y221 HydrophobicContact CG-CE2 4.08Å; K217-Y221 WeakPolarHBondContact O-CB 3.37Å; K217-Y221 WeakPolarHBondContact O-CD2 3.11Å; K217-Y221 VanDerWaalsContact O-CG 3.32Å; K217-Y221 PolarHBondContact O-N 3.3Å; K217-G253 VanDerWaalsContact CD-O 3.31Å; K217-G253 WeakPolarHBondContact CD-O 3.34Å; K217-G253 PolarHBondContact NZ-O 2.96Å; K217-E254 WeakPolarHBondContact CE-OE1 3.5Å; K217-E254 IonicContact NZ-OE1 2.73Å; K217-E254 PolarHBondContact NZ-OE1 3.23Å; K217-P255 HydrophobicContact CB-CG 4.21Å
218	I	93	Very high	91.5	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-59.3	-43.3	175.6	-71.1	163.6	0	0	0	111.1	I206 I214 L215 Q216 Q220 Y221 E222 L233 P255 V258	I206-I218 HydrophobicContact CB-CD1 4.17Å; I206-I218 HydrophobicContact CD1-CD1 4.29Å; I206-I218 HydrophobicContact CG1-CD1 3.77Å; I206-I218 HydrophobicContact CG2-CD1 3.63Å; I214-I218 HydrophobicContact CG1-CD1 4.32Å; I214-I218 WeakPolarHBondContact O-CB 3.29Å; I214-I218 WeakPolarHBondContact O-CD1 3.37Å; I214-I218 VanDerWaalsContact O-CG1 3.24Å; I214-I218 WeakPolarHBondContact O-CG1 3.16Å; I214-I218 PolarHBondContact O-N 3.11Å; L215-I218 PolarHBondContact O-N 3.25Å; Q216-I218 PolarHBondContact O-N 2.92Å; I218-Q220 VanDerWaalsContact C-N 3.34Å; I218-Q220 PolarHBondContact O-N 3.24Å; I218-Y221 PolarHBondContact O-N 3.17Å; I218-E222 PolarHBondContact O-N 2.76Å; I218-E222 VanDerWaalsContact O-N 3.15Å; I218-L233 HydrophobicContact CG2-CD1 4.47Å; I218-P255 HydrophobicContact CG1-CG 4.32Å; I218-V258 HydrophobicContact CG1-CG1 4.35Å; I218-V258 HydrophobicContact CG1-CG2 3.94Å; I218-V258 HydrophobicContact CG2-CG1 4.07Å
219	S	92.9	Very high	91.3	Very high	45 Å²	45	63.3 Å²	63.3	32%	0.315	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-37.5	176.3	-173.4	0	0	0	0	112.8	L215 Q216 K217	L215-S219 PolarHBondContact O-N 3.04Å; Q216-S219 WeakPolarHBondContact O-CB 3.17Å; Q216-S219 PolarHBondContact O-N 2.58Å; K217-S219 VanDerWaalsContact C-N 3.31Å; K217-S219 PolarHBondContact O-N 3.45Å
220	Q	91.9	Very high	90.9	Very high	119 Å²	119	63.7 Å²	63.7	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-72.9	-37.4	179.5	-73.7	171.6	-10.8	0	0	112.5	Q216 K217 I218	Q216-Q220 WeakPolarHBondContact O-CG 3.35Å; Q216-Q220 PolarHBondContact O-N 2.68Å; K217-Q220 PolarHBondContact O-N 3.47Å; K217-Q220 VanDerWaalsContact O-N 3.16Å; I218-Q220 VanDerWaalsContact C-N 3.34Å; I218-Q220 PolarHBondContact O-N 3.24Å
221	Y	90.3	Very high	90.7	Very high	74 Å²	74	64.5 Å²	64.5	29%	0.29	33%	0.333	S	S	.	.	H	α-helix	trans	-92.4	1.9	-175.6	-59.1	-47.2	0	0	0	114.3	K217 I218 A223 T301	K217-Y221 HydrophobicContact CB-CD2 4Å; K217-Y221 HydrophobicContact CB-CE2 3.78Å; K217-Y221 HydrophobicContact CG-CE2 4.08Å; K217-Y221 WeakPolarHBondContact O-CB 3.37Å; K217-Y221 WeakPolarHBondContact O-CD2 3.11Å; K217-Y221 VanDerWaalsContact O-CG 3.32Å; K217-Y221 PolarHBondContact O-N 3.3Å; I218-Y221 PolarHBondContact O-N 3.17Å; Y221-A223 PolarHBondContact O-N 3.33Å; Y221-T301 HydrophobicContact CD2-CG2 3.74Å; Y221-T301 HydrophobicContact CG-CG2 3.93Å
222	E	90.7	Very high	90.4	Very high	15 Å²	15	60 Å²	60	7%	0.07	30%	0.304	C	S	.	.			trans	-65.3	101.6	177.8	176.5	53.9	-120.2	0	0	110.9	I218 V224 H225 V227 R236 H260 S297	I218-E222 PolarHBondContact O-N 2.76Å; I218-E222 VanDerWaalsContact O-N 3.15Å; E222-V224 WeakPolarHBondContact OE1-CB 3.44Å; E222-V224 PolarHBondContact OE1-N 2.93Å; E222-H225 WeakPolarHBondContact CG-O 3.44Å; E222-H225 PolarHBondContact OE1-N 2.76Å; E222-V227 HydrophobicContact CB-CG2 4.2Å; E222-V227 HydrophobicContact CG-CG2 4.2Å; E222-R236 IonicContact OE2-NH1 2.76Å; E222-H260 IonicContact OE2-CE1 3.46Å; E222-H260 PolarHBondContact OE2-CE1 3.13Å; E222-H260 IonicContact OE2-ND1 3.71Å; E222-H260 PolarHBondContact OE2-ND1 3.16Å; E222-S297 VanDerWaalsContact CD-OG 3.27Å; E222-S297 PolarHBondContact OE1-OG 3.4Å; E222-S297 PolarHBondContact OE2-OG 2.73Å; E222-S297 VanDerWaalsContact OE2-OG 3.09Å
223	A	86.1	Confident	90.3	Very high	52 Å²	52	55.8 Å²	55.8	43%	0.43	27%	0.274	S	S	.	.			trans	-91.1	-19.5	-171.4	0	0	0	0	0	113.1	Y221 S299 R453	Y221-A223 PolarHBondContact O-N 3.33Å; A223-S299 PolarHBondContact N-OG 3.3Å; A223-S299 VanDerWaalsContact N-OG 3.08Å; A223-R453 PolarHBondContact O-NH1 3.04Å; A223-R453 PolarHBondContact O-NH2 2.76Å
224	V	85.9	Confident	90.2	Very high	24 Å²	24	53.8 Å²	53.8	15%	0.145	26%	0.264	C	S	.	.	S	Bend	trans	-93.9	-59.2	-172.3	-171	0	0	0	0	110.4	E222 S297 P337 R453	E222-V224 WeakPolarHBondContact OE1-CB 3.44Å; E222-V224 PolarHBondContact OE1-N 2.93Å; V224-S297 WeakPolarHBondContact CG2-OG 3.39Å; V224-P337 HydrophobicContact CG1-CG 3.97Å; V224-R453 PolarHBondContact O-NH1 3.03Å
225	H	86.8	Confident	90	Very high	17 Å²	17	54 Å²	54	8%	0.079	26%	0.264	C	S	.	.	S	Bend	trans	-128.3	94.2	-176.9	-61.6	-60.5	0	0	0	110.3	E222 V227 R236 I271 D449	E222-H225 WeakPolarHBondContact CG-O 3.44Å; E222-H225 PolarHBondContact OE1-N 2.76Å; H225-V227 PolarHBondContact O-N 3.44Å; H225-R236 PolarHBondContact O-NH1 3.07Å; H225-R236 PolarHBondContact O-NH2 2.97Å; H225-I271 WeakPolarHBondContact NE2-CG1 3.27Å; H225-D449 IonicContact CE1-OD2 3.2Å
226	P	88.5	Confident	90	Very high	80 Å²	80	53.8 Å²	53.8	52%	0.519	26%	0.262	S	S	.	.			trans	-50	134.4	-173.6	-28.9	35.3	0	0	0	112.7	R228 R236	P226-R228 PolarHBondContact O-N 3Å; P226-R236 PolarHBondContact O-NH2 3.09Å
227	V	88.6	Confident	89.9	Confident	22 Å²	22	49.2 Å²	49.2	13%	0.133	24%	0.241	C	C	.	.			trans	-70.3	128	176.5	-178.1	0	0	0	0	108.7	E222 H225 N229 D232 L233	E222-V227 HydrophobicContact CB-CG2 4.2Å; E222-V227 HydrophobicContact CG-CG2 4.2Å; H225-V227 PolarHBondContact O-N 3.44Å; V227-N229 WeakPolarHBondContact CG1-O 3.38Å; V227-D232 WeakPolarHBondContact CA-OD2 3.12Å; V227-D232 HydrophobicContact CG1-CB 4.13Å; V227-L233 HydrophobicContact CG1-CB 4Å
228	R	86.6	Confident	89.8	Confident	152 Å²	152	49 Å²	49	57%	0.574	25%	0.245	S	C	*	.			trans	-79.1	-42.2	-173.4	-64	178.4	177.9	-172.3	-5.7	113	P226 D232	P226-R228 PolarHBondContact O-N 3Å; R228-D232 HydrophobicContact CB-CB 4.35Å; R228-D232 PolarHBondContact N-OD2 2.89Å
229	N	88.7	Confident	89.7	Confident	79 Å²	79	50.5 Å²	50.5	42%	0.422	26%	0.255	S	S	.	.	S	Bend	trans	-163.8	174.7	-174.9	53.6	32.3	0	0	0	110	V227 T231 D232 L233	V227-N229 WeakPolarHBondContact CG1-O 3.38Å; N229-T231 VanDerWaalsContact C-N 3.25Å; N229-T231 PolarHBondContact O-N 3.28Å; N229-T231 PolarHBondContact OD1-N 2.89Å; N229-T231 PolarHBondContact OD1-OG1 3.17Å; N229-D232 WeakPolarHBondContact O-CB 3.5Å; N229-D232 PolarHBondContact O-N 3.07Å; N229-D232 VanDerWaalsContact O-N 3.14Å; N229-D232 WeakPolarHBondContact OD1-CB 3.4Å; N229-D232 PolarHBondContact OD1-N 2.9Å; N229-L233 PolarHBondContact O-N 3.25Å; N229-L233 VanDerWaalsContact O-N 3.14Å
230	W	87.4	Confident	89.7	Confident	169 Å²	169	50.6 Å²	50.6	64%	0.64	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-29.4	-178.3	73.2	-96.1	0	0	0	113.2	W208 L233 K234	W208-W230 AromaticContact CH2-CE3 3.96Å; W208-W230 HydrophobicContact CH2-CE3 3.96Å; W208-W230 HydrophobicContact CZ2-CE3 4.1Å; W208-W230 HydrophobicContact CZ2-CZ3 4.25Å; W230-L233 PolarHBondContact O-N 2.97Å; W230-K234 HydrophobicContact CZ3-CD 4.26Å; W230-K234 PolarHBondContact O-N 2.77Å
231	T	89.4	Confident	89.8	Confident	38 Å²	38	45.5 Å²	45.5	23%	0.233	23%	0.225	C	C	.	.	H	α-helix	trans	-70.3	-34.8	176.4	66.7	0	0	0	0	111.4	N229 K234 R235	N229-T231 VanDerWaalsContact C-N 3.25Å; N229-T231 PolarHBondContact O-N 3.28Å; N229-T231 PolarHBondContact OD1-N 2.89Å; N229-T231 PolarHBondContact OD1-OG1 3.17Å; T231-K234 PolarHBondContact O-N 3.09Å; T231-R235 VanDerWaalsContact C-NH1 3.28Å; T231-R235 WeakPolarHBondContact O-CG 3.43Å; T231-R235 PolarHBondContact O-N 3.15Å; T231-R235 PolarHBondContact O-NH1 3.27Å; T231-R235 PolarHBondContact OG1-NH1 2.89Å; T231-R235 VanDerWaalsContact OG1-NH1 3.14Å
232	D	90.2	Very high	90	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-45.4	169.4	-175.6	25.2	0	0	0	111.3	V227 R228 N229 K234 R235 R236	V227-D232 WeakPolarHBondContact CA-OD2 3.12Å; V227-D232 HydrophobicContact CG1-CB 4.13Å; R228-D232 HydrophobicContact CB-CB 4.35Å; R228-D232 PolarHBondContact N-OD2 2.89Å; N229-D232 WeakPolarHBondContact O-CB 3.5Å; N229-D232 PolarHBondContact O-N 3.07Å; N229-D232 VanDerWaalsContact O-N 3.14Å; N229-D232 WeakPolarHBondContact OD1-CB 3.4Å; N229-D232 PolarHBondContact OD1-N 2.9Å; D232-K234 VanDerWaalsContact C-N 3.35Å; D232-K234 PolarHBondContact O-N 3.2Å; D232-R235 VanDerWaalsContact CB-NH2 3.33Å; D232-R235 WeakPolarHBondContact O-CB 3.38Å; D232-R235 PolarHBondContact O-N 3.29Å; D232-R235 IonicContact OD1-NH2 3.54Å; D232-R236 WeakPolarHBondContact O-CG 3.48Å; D232-R236 PolarHBondContact O-N 3.21Å; D232-R236 IonicContact OD1-CZ 3.49Å; D232-R236 IonicContact OD1-NE 2.68Å; D232-R236 PolarHBondContact OD1-NE 2.84Å; D232-R236 IonicContact OD1-NH2 2.58Å; D232-R236 IonicContact OD2-CZ 3.71Å; D232-R236 IonicContact OD2-NE 3.12Å; D232-R236 PolarHBondContact OD2-NE 3.46Å; D232-R236 IonicContact OD2-NH2 3.74Å; D232-R236 PolarHBondContact OD2-NH2 3.39Å
233	L	91.5	Very high	90.3	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-45.1	175.4	-170.3	59.3	0	0	0	112	W208 L215 I218 V227 N229 W230 R235 R236 V237	W208-L233 HydrophobicContact CZ3-CG 4.49Å; L215-L233 HydrophobicContact CB-CD2 3.91Å; L215-L233 HydrophobicContact CD2-CD2 4.43Å; L215-L233 HydrophobicContact CD2-CG 4.5Å; I218-L233 HydrophobicContact CG2-CD1 4.47Å; V227-L233 HydrophobicContact CG1-CB 4Å; N229-L233 PolarHBondContact O-N 3.25Å; N229-L233 VanDerWaalsContact O-N 3.14Å; W230-L233 PolarHBondContact O-N 2.97Å; L233-R235 VanDerWaalsContact C-N 3.29Å; L233-R235 PolarHBondContact O-N 3.19Å; L233-R236 PolarHBondContact O-N 2.79Å; L233-R236 VanDerWaalsContact O-N 3.16Å; L233-V237 PolarHBondContact O-N 3.11Å
234	K	91.3	Very high	90.7	Very high	70 Å²	70	39 Å²	39	30%	0.304	19%	0.188	S	C	.	.	H	α-helix	trans	-57.4	-41.9	175.8	-171.2	176.3	-178.9	-164.9	0	112	W208 W230 T231 D232 V237 G238 L281	W208-K234 HydrophobicContact CD2-CB 4.11Å; W208-K234 HydrophobicContact CD2-CD 4.16Å; W208-K234 HydrophobicContact CD2-CG 3.66Å; W208-K234 HydrophobicContact CE3-CB 3.71Å; W208-K234 HydrophobicContact CE3-CG 3.77Å; W208-K234 HydrophobicContact CG-CG 4.19Å; W208-K234 HydrophobicContact CH2-CB 3.73Å; W208-K234 HydrophobicContact CH2-CG 4.23Å; W208-K234 HydrophobicContact CZ2-CB 4.12Å; W208-K234 HydrophobicContact CZ2-CD 4.04Å; W208-K234 HydrophobicContact CZ2-CG 4.14Å; W208-K234 VanDerWaalsContact CZ3-CA 3.44Å; W208-K234 HydrophobicContact CZ3-CB 3.51Å; W208-K234 HydrophobicContact CZ3-CG 4.05Å; W230-K234 HydrophobicContact CZ3-CD 4.26Å; W230-K234 PolarHBondContact O-N 2.77Å; T231-K234 PolarHBondContact O-N 3.09Å; D232-K234 VanDerWaalsContact C-N 3.35Å; D232-K234 PolarHBondContact O-N 3.2Å; K234-V237 PolarHBondContact O-N 2.71Å; K234-G238 PolarHBondContact O-N 2.95Å; K234-G238 VanDerWaalsContact O-N 3.13Å; K234-L281 HydrophobicContact CB-CD2 4.36Å; K234-L281 HydrophobicContact CD-CD2 4.04Å; K234-L281 HydrophobicContact CG-CD2 3.98Å
235	R	89.9	Confident	91.1	Very high	19 Å²	19	37.9 Å²	37.9	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-43.2	176.1	-73.9	-171.4	-58.6	-81.5	0	112.2	T231 D232 L233 V237 G238 R241 L281	T231-R235 VanDerWaalsContact C-NH1 3.28Å; T231-R235 WeakPolarHBondContact O-CG 3.43Å; T231-R235 PolarHBondContact O-N 3.15Å; T231-R235 PolarHBondContact O-NH1 3.27Å; T231-R235 PolarHBondContact OG1-NH1 2.89Å; T231-R235 VanDerWaalsContact OG1-NH1 3.14Å; D232-R235 VanDerWaalsContact CB-NH2 3.33Å; D232-R235 WeakPolarHBondContact O-CB 3.38Å; D232-R235 PolarHBondContact O-N 3.29Å; D232-R235 IonicContact OD1-NH2 3.54Å; L233-R235 VanDerWaalsContact C-N 3.29Å; L233-R235 PolarHBondContact O-N 3.19Å; R235-V237 PolarHBondContact O-N 3.08Å; R235-G238 PolarHBondContact O-N 3.43Å; R235-G238 VanDerWaalsContact O-N 3.16Å; R235-R241 WeakPolarHBondContact O-CG 3.47Å; R235-L281 HydrophobicContact CG-CD1 4.13Å; R235-L281 HydrophobicContact CG-CD2 3.59Å; R235-L281 HydrophobicContact CG-CG 3.69Å
236	R	92.1	Very high	91.4	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-16.9	-177.7	-68.4	178.1	-170.5	-149.6	10.2	114.5	E222 H225 P226 D232 L233 R241	E222-R236 IonicContact OE2-NH1 2.76Å; H225-R236 PolarHBondContact O-NH1 3.07Å; H225-R236 PolarHBondContact O-NH2 2.97Å; P226-R236 PolarHBondContact O-NH2 3.09Å; D232-R236 WeakPolarHBondContact O-CG 3.48Å; D232-R236 PolarHBondContact O-N 3.21Å; D232-R236 IonicContact OD1-CZ 3.49Å; D232-R236 IonicContact OD1-NE 2.68Å; D232-R236 PolarHBondContact OD1-NE 2.84Å; D232-R236 IonicContact OD1-NH2 2.58Å; D232-R236 IonicContact OD2-CZ 3.71Å; D232-R236 IonicContact OD2-NE 3.12Å; D232-R236 PolarHBondContact OD2-NE 3.46Å; D232-R236 IonicContact OD2-NH2 3.74Å; D232-R236 PolarHBondContact OD2-NH2 3.39Å; L233-R236 PolarHBondContact O-N 2.79Å; L233-R236 VanDerWaalsContact O-N 3.16Å; R236-R241 WeakPolarHBondContact O-CB 3.45Å
237	V	93.3	Very high	91.7	Very high	12 Å²	12	33.7 Å²	33.7	7%	0.073	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	10	175.5	-54.1	0	0	0	0	112.8	I206 W208 L215 L233 K234 R235 C243	I206-V237 HydrophobicContact CG2-CG1 4.33Å; W208-V237 HydrophobicContact CB-CG2 4.21Å; W208-V237 HydrophobicContact CE3-CG2 3.85Å; L215-V237 HydrophobicContact CD2-CG1 4.33Å; L233-V237 PolarHBondContact O-N 3.11Å; K234-V237 PolarHBondContact O-N 2.71Å; R235-V237 PolarHBondContact O-N 3.08Å; V237-C243 HydrophobicContact CG1-CB 3.91Å
238	G	90.7	Very high	91.9	Very high	18 Å²	18	33.6 Å²	33.6	19%	0.186	15%	0.153	C	C	.	.	S	Bend	trans	-97.4	-160.6	-176.6	0	0	0	0	0	113.6	K234 R235 R241	K234-G238 PolarHBondContact O-N 2.95Å; K234-G238 VanDerWaalsContact O-N 3.13Å; R235-G238 PolarHBondContact O-N 3.43Å; R235-G238 VanDerWaalsContact O-N 3.16Å; G238-R241 CarbonylContact O-C 3.59Å; G238-R241 PolarHBondContact O-N 3Å; G238-R241 VanDerWaalsContact O-N 3.17Å
239	P	90.8	Very high	92.1	Very high	34 Å²	34	29.6 Å²	29.6	22%	0.221	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	145.1	177.4	-25.2	34.4	0	0	0	113	R241 T280 A283 E285	P239-R241 PolarHBondContact O-N 3.34Å; P239-T280 VanDerWaalsContact CD-O 3.31Å; P239-T280 WeakPolarHBondContact CD-O 3.48Å; P239-T280 VanDerWaalsContact CG-O 3.26Å; P239-T280 WeakPolarHBondContact CG-O 3.35Å; P239-A283 WeakPolarHBondContact CB-O 3.13Å; P239-A283 WeakPolarHBondContact CG-O 2.88Å; P239-E285 WeakPolarHBondContact CA-OE1 3Å; P239-E285 HydrophobicContact CB-CG 4Å
240	Y	92.6	Very high	92.2	Very high	48 Å²	48	28 Å²	28	19%	0.188	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	11.7	-175.5	-58	-89.8	0	0	0	114.4	L263 T280 A283 E284 E285 D286 I290	Y240-L263 PolarHBondContact O-N 3.44Å; Y240-T280 HydrophobicContact CD2-CG2 4.28Å; Y240-A283 HydrophobicContact CE2-CB 4.23Å; Y240-E284 PolarHBondContact OH-O 2.68Å; Y240-E285 HydrophobicContact CD2-CG 4.42Å; Y240-E285 HydrophobicContact CE2-CG 4.43Å; Y240-E285 PolarHBondContact N-OE1 2.99Å; Y240-D286 PolarHBondContact OH-N 3Å; Y240-I290 HydrophobicContact CD1-CD1 4.2Å; Y240-I290 HydrophobicContact CD1-CG1 4.25Å; Y240-I290 HydrophobicContact CE1-CD1 4.2Å; Y240-I290 HydrophobicContact CE1-CG1 4.22Å
241	R	94.1	Very high	92.4	Very high	11 Å²	11	20.1 Å²	20.1	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	119.3	-178.1	-61.5	-66.2	-179.3	-83.7	-3.9	110.5	R235 R236 G238 P239 V261 I274 E277	R235-R241 WeakPolarHBondContact O-CG 3.47Å; R236-R241 WeakPolarHBondContact O-CB 3.45Å; G238-R241 CarbonylContact O-C 3.59Å; G238-R241 PolarHBondContact O-N 3Å; G238-R241 VanDerWaalsContact O-N 3.17Å; P239-R241 PolarHBondContact O-N 3.34Å; R241-V261 CarbonylContact C-O 3.59Å; R241-V261 WeakPolarHBondContact CA-O 3.44Å; R241-I274 PolarHBondContact NH2-O 3.44Å; R241-E277 IonicContact NH2-OE2 3.7Å; R241-E277 PolarHBondContact NH2-OE2 3.44Å
242	R	95.4	Very high	92.3	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.011	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.2	176.5	-51.4	-48.9	-175.6	89.7	-9.5	109.6	R205 Y244 V261 L263 E285 L322 E325	R205-R242 VanDerWaalsContact NH2-NH1 3.1Å; R242-Y244 HydrophobicContact CB-CD2 4.33Å; R242-Y244 HydrophobicContact CB-CE2 3.59Å; R242-V261 HydrophobicContact CB-CB 4.22Å; R242-V261 PolarHBondContact N-O 2.95Å; R242-V261 WeakPolarHBondContact O-CB 3.38Å; R242-V261 PolarHBondContact O-N 3.06Å; R242-L263 HydrophobicContact CG-CD1 3.96Å; R242-L263 HydrophobicContact CG-CD2 4.35Å; R242-L263 HydrophobicContact CG-CG 4.23Å; R242-E285 IonicContact CZ-OE2 3.34Å; R242-E285 IonicContact NE-OE1 3.9Å; R242-E285 IonicContact NH2-OE1 3.53Å; R242-E285 IonicContact NH2-OE2 2.98Å; R242-E285 PolarHBondContact NH2-OE2 3.44Å; R242-L322 HydrophobicContact CB-CD2 4.47Å; R242-L322 HydrophobicContact CG-CD2 4.07Å; R242-E325 IonicContact CZ-OE1 2.64Å; R242-E325 IonicContact CZ-OE2 2.74Å; R242-E325 IonicContact NH1-OE1 2.8Å; R242-E325 PolarHBondContact NH1-OE1 3.09Å; R242-E325 IonicContact NH1-OE2 2.69Å; R242-E325 PolarHBondContact NH1-OE2 3.42Å; R242-E325 IonicContact NH2-OE1 3.71Å; R242-E325 PolarHBondContact NH2-OE1 3.29Å; R242-E325 IonicContact NH2-OE2 2.83Å
243	C	95.9	Very high	92.1	Very high	1 Å²	1	25 Å²	25	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	174.4	-175.1	0	0	0	0	108.3	I206 V237 L259	I206-C243 HydrophobicContact CB-CB 4.1Å; I206-C243 PolarHBondContact N-O 3Å; V237-C243 HydrophobicContact CG1-CB 3.91Å; C243-L259 WeakPolarHBondContact CA-O 3.43Å
244	Y	95.8	Very high	92.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144	178.5	-63.8	-80	0	0	0	109.9	L203 E204 R205 R242 V258 L259 V261 V318 E321 L322	L203-Y244 HydrophobicContact CD1-CD1 4.49Å; L203-Y244 HydrophobicContact CD2-CD1 4.34Å; L203-Y244 HydrophobicContact CG-CD1 4.31Å; E204-Y244 CarbonylContact O-C 3.57Å; E204-Y244 WeakPolarHBondContact O-CA 3.4Å; R205-Y244 HydrophobicContact CB-CD1 4.11Å; R205-Y244 HydrophobicContact CB-CE1 3.94Å; R205-Y244 HydrophobicContact CG-CD1 4.45Å; R205-Y244 HydrophobicContact CG-CE1 4.06Å; R242-Y244 HydrophobicContact CB-CD2 4.33Å; R242-Y244 HydrophobicContact CB-CE2 3.59Å; Y244-V258 CarbonylContact O-C 3.54Å; Y244-V258 WeakPolarHBondContact O-CA 3.17Å; Y244-L259 PolarHBondContact N-O 3.46Å; Y244-L259 PolarHBondContact O-N 2.96Å; Y244-V261 HydrophobicContact CD2-CG2 4.14Å; Y244-V261 HydrophobicContact CE2-CG2 4.29Å; Y244-V318 HydrophobicContact CD1-CG2 4.39Å; Y244-V318 HydrophobicContact CD2-CB 4.27Å; Y244-V318 HydrophobicContact CD2-CG1 3.48Å; Y244-V318 VanDerWaalsContact CD2-CG1 3.48Å; Y244-V318 HydrophobicContact CD2-CG2 3.81Å; Y244-V318 HydrophobicContact CE2-CG1 3.54Å; Y244-V318 HydrophobicContact CE2-CG2 4.48Å; Y244-V318 HydrophobicContact CG-CG1 4.28Å; Y244-V318 HydrophobicContact CG-CG2 3.75Å; Y244-E321 HydrophobicContact CE1-CG 3.9Å; Y244-L322 HydrophobicContact CE2-CD2 4.25Å; Y244-L322 HydrophobicContact CE2-CG 4.42Å
245	A	94.3	Very high	92.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.4	173.3	0	0	0	0	0	110.6	E204 I206 P255 V257	E204-A245 PolarHBondContact N-O 3.32Å; E204-A245 PolarHBondContact O-N 3.45Å; I206-A245 HydrophobicContact CD1-CB 4.07Å; I206-A245 HydrophobicContact CG1-CB 4Å; A245-P255 HydrophobicContact CB-CB 3.96Å; A245-V257 VanDerWaalsContact CA-O 3.28Å; A245-V257 WeakPolarHBondContact CA-O 3.46Å
246	F	93.3	Very high	92.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.6	160.6	-85.6	-36.2	0	0	0	110.3	L201 R202 L203 L256 V257 L314	L201-F246 HydrophobicContact CB-CD1 4.09Å; L201-F246 HydrophobicContact CB-CE1 4.42Å; L201-F246 HydrophobicContact CB-CG 4.34Å; L201-F246 HydrophobicContact CD1-CD2 4.1Å; L201-F246 HydrophobicContact CD1-CE2 4.39Å; L201-F246 HydrophobicContact CD1-CG 4.29Å; R202-F246 WeakPolarHBondContact O-CA 3.47Å; R202-F246 WeakPolarHBondContact O-CD1 3.29Å; L203-F246 HydrophobicContact CB-CD1 4.23Å; L203-F246 HydrophobicContact CB-CE1 4Å; L203-F246 HydrophobicContact CD1-CD1 3.95Å; L203-F246 HydrophobicContact CD1-CE1 3.88Å; F246-L256 WeakPolarHBondContact O-CB 3.46Å; F246-L256 PolarHBondContact O-N 3.11Å; F246-V257 PolarHBondContact N-O 3.02Å; F246-L314 HydrophobicContact CD1-CD1 4.19Å; F246-L314 HydrophobicContact CD2-CB 3.93Å; F246-L314 HydrophobicContact CD2-CD1 3.64Å; F246-L314 HydrophobicContact CD2-CG 4.23Å; F246-L314 HydrophobicContact CE1-CD1 4.16Å; F246-L314 HydrophobicContact CE2-CB 3.39Å; F246-L314 HydrophobicContact CE2-CD1 3.63Å; F246-L314 HydrophobicContact CE2-CG 4.06Å; F246-L314 HydrophobicContact CG-CD1 3.93Å; F246-L314 VanDerWaalsContact CZ-CA 3.5Å; F246-L314 HydrophobicContact CZ-CB 4.05Å; F246-L314 HydrophobicContact CZ-CD1 3.88Å
247	T	93.4	Very high	92.4	Very high	8 Å²	8	21.4 Å²	21.4	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	159.5	173.1	64.1	0	0	0	0	110.1	R202 E204	R202-T247 PolarHBondContact N-O 2.92Å; R202-T247 PolarHBondContact O-N 2.92Å; E204-T247 HydrophobicContact CB-CG2 4.47Å; E204-T247 VanDerWaalsContact CD-OG1 3.28Å; E204-T247 HydrophobicContact CG-CG2 4.22Å; E204-T247 PolarHBondContact OE1-OG1 3.4Å
248	H	93.3	Very high	92.4	Very high	20 Å²	20	21 Å²	21	9%	0.093	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.4	177.7	-177.5	-84.9	0	0	0	109.9	W195 F196 L201 A250 M251 L256	W195-H248 PolarHBondContact O-NE2 3.17Å; F196-H248 HydrophobicContact CE1-CB 4.22Å; L201-H248 HydrophobicContact CD2-CB 4.13Å; H248-A250 VanDerWaalsContact C-N 3.27Å; H248-A250 VanDerWaalsContact CE1-CB 3.43Å; H248-A250 WeakPolarHBondContact CE1-CB 3.34Å; H248-A250 WeakPolarHBondContact ND1-CB 3.11Å; H248-A250 PolarHBondContact ND1-N 3.05Å; H248-A250 PolarHBondContact O-N 2.82Å; H248-M251 CarbonylContact O-C 3.4Å; H248-M251 WeakPolarHBondContact O-CA 3.5Å; H248-M251 PolarHBondContact O-N 2.96Å; H248-L256 HydrophobicContact CB-CD1 3.93Å
249	A	91.7	Very high	92.6	Very high	69 Å²	69	20.1 Å²	20.1	57%	0.57	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-34.1	-173.6	0	0	0	0	0	113.5	M251	A249-M251 VanDerWaalsContact C-N 3.25Å; A249-M251 PolarHBondContact O-N 3.17Å
250	A	90.1	Very high	92.8	Very high	44 Å²	44	18.5 Å²	18.5	36%	0.364	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.9	176.1	0	0	0	0	0	114.4	V157 H248	V157-A250 HydrophobicContact CB-CB 4.26Å; V157-A250 HydrophobicContact CG2-CB 4.03Å; H248-A250 VanDerWaalsContact C-N 3.27Å; H248-A250 VanDerWaalsContact CE1-CB 3.43Å; H248-A250 WeakPolarHBondContact CE1-CB 3.34Å; H248-A250 WeakPolarHBondContact ND1-CB 3.11Å; H248-A250 PolarHBondContact ND1-N 3.05Å; H248-A250 PolarHBondContact O-N 2.82Å
251	M	91.2	Very high	93	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.02	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-135.2	64.1	176.2	-72.6	-175.7	47.2	0	0	109.4	V157 K158 V161 F196 H248 A249 E254 L256 Q302	V157-M251 HydrophobicContact CG1-CG 4.41Å; V157-M251 HydrophobicContact CG1-SD 4.25Å; K158-M251 HydrophobicContact CB-CG 4.12Å; K158-M251 HydrophobicContact CB-SD 4.31Å; K158-M251 HydrophobicContact CD-CE 3.45Å; K158-M251 VanDerWaalsContact CD-CE 3.45Å; K158-M251 HydrophobicContact CD-SD 4.2Å; V161-M251 HydrophobicContact CG2-SD 4.2Å; F196-M251 HydrophobicContact CE1-SD 4.05Å; F196-M251 HydrophobicContact CZ-SD 3.67Å; H248-M251 CarbonylContact O-C 3.4Å; H248-M251 WeakPolarHBondContact O-CA 3.5Å; H248-M251 PolarHBondContact O-N 2.96Å; A249-M251 VanDerWaalsContact C-N 3.25Å; A249-M251 PolarHBondContact O-N 3.17Å; M251-E254 HydrophobicContact CB-CB 4.15Å; M251-E254 HydrophobicContact CE-CB 3.81Å; M251-E254 HydrophobicContact CE-CG 4.09Å; M251-E254 PolarHBondContact O-N 2.89Å; M251-L256 HydrophobicContact CE-CD2 3.73Å; M251-L256 HydrophobicContact SD-CD2 4.33Å; M251-Q302 HydrophobicContact CE-CG 4.24Å
252	P	87.5	Confident	93.1	Very high	107 Å²	107	15.7 Å²	15.7	70%	0.695	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	141.7	-178	28.2	-34.8	0	0	0	110.9	E254	P252-E254 PolarHBondContact O-N 3.05Å
253	G	86.4	Confident	93.1	Very high	34 Å²	34	15.8 Å²	15.8	35%	0.351	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	3.2	179.7	0	0	0	0	0	115.2	K217 P255	K217-G253 VanDerWaalsContact CD-O 3.31Å; K217-G253 WeakPolarHBondContact CD-O 3.34Å; K217-G253 PolarHBondContact NZ-O 2.96Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å
254	E	91.8	Very high	93	Very high	28 Å²	28	17.1 Å²	17.1	13%	0.131	12%	0.121	C	C	.	.			trans	-104.1	106.5	175.3	-68	-63.5	146.7	0	0	110.1	K158 K217 M251 P252 L256 Q302	K158-E254 HydrophobicContact CD-CG 4.47Å; K217-E254 WeakPolarHBondContact CE-OE1 3.5Å; K217-E254 IonicContact NZ-OE1 2.73Å; K217-E254 PolarHBondContact NZ-OE1 3.23Å; M251-E254 HydrophobicContact CB-CB 4.15Å; M251-E254 HydrophobicContact CE-CB 3.81Å; M251-E254 HydrophobicContact CE-CG 4.09Å; M251-E254 PolarHBondContact O-N 2.89Å; P252-E254 PolarHBondContact O-N 3.05Å; E254-L256 PolarHBondContact O-N 2.86Å; E254-Q302 PolarHBondContact OE2-NE2 2.87Å; E254-Q302 VanDerWaalsContact OE2-NE2 3.13Å
255	P	93.5	Very high	92.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.147	C	C	.	.			trans	-67.7	133.7	168.8	28.6	-30.4	0	0	0	107.8	I214 K217 I218 A245 G253 V258 T301	I214-P255 HydrophobicContact CG1-CG 4.27Å; K217-P255 HydrophobicContact CB-CG 4.21Å; I218-P255 HydrophobicContact CG1-CG 4.32Å; A245-P255 HydrophobicContact CB-CB 3.96Å; G253-P255 WeakPolarHBondContact O-CD 3.41Å; P255-V258 HydrophobicContact CB-CG2 3.91Å; P255-V258 HydrophobicContact CG-CG2 4.45Å; P255-T301 HydrophobicContact CB-CG2 4.48Å; P255-T301 HydrophobicContact CG-CG2 4.31Å; P255-T301 WeakPolarHBondContact O-CB 3.49Å; P255-T301 WeakPolarHBondContact O-CG2 3.34Å; P255-T301 PolarHBondContact O-OG1 3.14Å
256	L	92.6	Very high	92.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-94.1	-44.2	-179.7	-58.1	179.7	0	0	0	112.4	F196 L201 F246 H248 M251 E254 T301 Q302 L305 L310	F196-L256 HydrophobicContact CD1-CD1 3.57Å; F196-L256 HydrophobicContact CE1-CD1 3.61Å; F196-L256 HydrophobicContact CE1-CD2 3.97Å; F196-L256 HydrophobicContact CE1-CG 4.46Å; L201-L256 HydrophobicContact CD2-CD1 3.72Å; F246-L256 WeakPolarHBondContact O-CB 3.46Å; F246-L256 PolarHBondContact O-N 3.11Å; H248-L256 HydrophobicContact CB-CD1 3.93Å; M251-L256 HydrophobicContact CE-CD2 3.73Å; M251-L256 HydrophobicContact SD-CD2 4.33Å; E254-L256 PolarHBondContact O-N 2.86Å; L256-T301 WeakPolarHBondContact CA-OG1 3.35Å; L256-T301 PolarHBondContact O-N 2.88Å; L256-T301 PolarHBondContact O-OG1 2.81Å; L256-Q302 HydrophobicContact CD2-CG 3.88Å; L256-L305 HydrophobicContact CD1-CD1 4.49Å; L256-L305 HydrophobicContact CD2-CD1 3.9Å; L256-L310 HydrophobicContact CB-CD1 4.5Å
257	V	91.9	Very high	93.1	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.5	174.9	-172.1	0	0	0	0	107.2	A245 F246 I298 S299 L310 L314	A245-V257 VanDerWaalsContact CA-O 3.28Å; A245-V257 WeakPolarHBondContact CA-O 3.46Å; F246-V257 PolarHBondContact N-O 3.02Å; V257-I298 HydrophobicContact CG1-CG2 3.97Å; V257-S299 WeakPolarHBondContact CA-O 3.2Å; V257-L310 HydrophobicContact CG2-CB 3.73Å; V257-L310 HydrophobicContact CG2-CD1 3.81Å; V257-L310 HydrophobicContact CG2-CG 4.44Å; V257-L314 HydrophobicContact CB-CD2 3.91Å; V257-L314 HydrophobicContact CG1-CD2 3.36Å
258	V	93.9	Very high	93.3	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.4	178.4	-176.4	0	0	0	0	108.5	I218 Y244 P255 I298 S299 T301	I218-V258 HydrophobicContact CG1-CG1 4.35Å; I218-V258 HydrophobicContact CG1-CG2 3.94Å; I218-V258 HydrophobicContact CG2-CG1 4.07Å; Y244-V258 CarbonylContact O-C 3.54Å; Y244-V258 WeakPolarHBondContact O-CA 3.17Å; P255-V258 HydrophobicContact CB-CG2 3.91Å; P255-V258 HydrophobicContact CG-CG2 4.45Å; V258-I298 WeakPolarHBondContact O-CA 3.36Å; V258-S299 PolarHBondContact N-O 3.3Å; V258-S299 PolarHBondContact O-N 3.24Å; V258-T301 HydrophobicContact CG2-CG2 3.88Å
259	L	95.1	Very high	93.5	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	118.8	176.6	175.6	67.2	0	0	0	109.2	C243 Y244 V261 F295 S297 I298 L314 V318	C243-L259 WeakPolarHBondContact CA-O 3.43Å; Y244-L259 PolarHBondContact N-O 3.46Å; Y244-L259 PolarHBondContact O-N 2.96Å; L259-V261 HydrophobicContact CD2-CG2 4.21Å; L259-V261 HydrophobicContact CG-CG2 4.02Å; L259-F295 HydrophobicContact CD1-CB 3.96Å; L259-F295 HydrophobicContact CD1-CD1 3.88Å; L259-F295 HydrophobicContact CD1-CG 4.21Å; L259-F295 HydrophobicContact CD2-CD1 3.9Å; L259-F295 HydrophobicContact CD2-CE1 4.13Å; L259-F295 HydrophobicContact CG-CD1 4.23Å; L259-S297 WeakPolarHBondContact CA-O 3.44Å; L259-I298 HydrophobicContact CD1-CD1 3.9Å; L259-I298 HydrophobicContact CD1-CG1 3.57Å; L259-L314 HydrophobicContact CB-CD2 3.87Å; L259-L314 HydrophobicContact CB-CG 4.34Å; L259-L314 HydrophobicContact CD2-CG 4.29Å; L259-V318 HydrophobicContact CD2-CB 3.86Å; L259-V318 HydrophobicContact CD2-CG1 3.73Å; L259-V318 HydrophobicContact CD2-CG2 3.82Å
260	H	95.9	Very high	93.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	169.5	-65.2	96.6	0	0	0	110.9	E222 Y296 S297	E222-H260 IonicContact OE2-CE1 3.46Å; E222-H260 PolarHBondContact OE2-CE1 3.13Å; E222-H260 IonicContact OE2-ND1 3.71Å; E222-H260 PolarHBondContact OE2-ND1 3.16Å; H260-Y296 HydrophobicContact CB-CD1 4.22Å; H260-Y296 HydrophobicContact CB-CD2 4.37Å; H260-Y296 HydrophobicContact CB-CE1 3.58Å; H260-Y296 HydrophobicContact CB-CE2 3.74Å; H260-Y296 WeakPolarHBondContact CB-OH 3.18Å; H260-Y296 PolarHBondContact O-N 2.98Å; H260-S297 PolarHBondContact N-O 2.93Å
261	V	96.8	Very high	93.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.5	-177	-165.9	0	0	0	0	109.2	R241 R242 Y244 L259 L263 A293 I294 F295 V318 L322	R241-V261 CarbonylContact C-O 3.59Å; R241-V261 WeakPolarHBondContact CA-O 3.44Å; R242-V261 HydrophobicContact CB-CB 4.22Å; R242-V261 PolarHBondContact N-O 2.95Å; R242-V261 WeakPolarHBondContact O-CB 3.38Å; R242-V261 PolarHBondContact O-N 3.06Å; Y244-V261 HydrophobicContact CD2-CG2 4.14Å; Y244-V261 HydrophobicContact CE2-CG2 4.29Å; L259-V261 HydrophobicContact CD2-CG2 4.21Å; L259-V261 HydrophobicContact CG-CG2 4.02Å; V261-L263 HydrophobicContact CG1-CD2 4.41Å; V261-A293 HydrophobicContact CG1-CB 3.86Å; V261-I294 CarbonylContact C-O 3.2Å; V261-I294 WeakPolarHBondContact CA-O 3.49Å; V261-F295 HydrophobicContact CG1-CD1 4.2Å; V261-F295 HydrophobicContact CG1-CE1 4.25Å; V261-F295 HydrophobicContact CG2-CD1 3.92Å; V261-F295 HydrophobicContact CG2-CE1 4.13Å; V261-V318 HydrophobicContact CG2-CG1 4.19Å; V261-L322 HydrophobicContact CG1-CD1 4.04Å
262	A	95.9	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.2	166.6	0	0	0	0	0	109.5	T264 I274 I294 Y296	A262-T264 HydrophobicContact CB-CG2 4.39Å; A262-I274 HydrophobicContact CB-CD1 4.27Å; A262-I274 HydrophobicContact CB-CG1 4.41Å; A262-I274 HydrophobicContact CB-CG2 3.64Å; A262-I294 HydrophobicContact CB-CB 4.34Å; A262-I294 PolarHBondContact N-O 3.27Å; A262-I294 PolarHBondContact O-N 2.95Å; A262-Y296 HydrophobicContact CB-CD1 3.9Å; A262-Y296 HydrophobicContact CB-CE1 4.11Å
263	L	95.1	Very high	94	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.2	174	-57.1	-177.2	0	0	0	108	Y240 R242 V261 I290 L322 F326 M329	Y240-L263 PolarHBondContact O-N 3.44Å; R242-L263 HydrophobicContact CG-CD1 3.96Å; R242-L263 HydrophobicContact CG-CD2 4.35Å; R242-L263 HydrophobicContact CG-CG 4.23Å; V261-L263 HydrophobicContact CG1-CD2 4.41Å; L263-I290 HydrophobicContact CB-CD1 4.35Å; L263-I290 HydrophobicContact CB-CG1 4.25Å; L263-I290 HydrophobicContact CB-CG2 3.91Å; L263-I290 HydrophobicContact CD1-CD1 4.13Å; L263-I290 HydrophobicContact CD1-CG2 4.37Å; L263-I290 HydrophobicContact CD2-CG2 4.29Å; L263-I290 HydrophobicContact CG-CG2 4.41Å; L263-L322 HydrophobicContact CD2-CD2 4.13Å; L263-F326 HydrophobicContact CD1-CE2 3.73Å; L263-F326 HydrophobicContact CD1-CZ 3.76Å; L263-M329 HydrophobicContact CD2-CE 3.81Å
264	T	94.1	Very high	94.1	Very high	30 Å²	30	26 Å²	26	18%	0.184	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	168.8	-174.4	60.5	0	0	0	0	110.8	A262 D266 N291 S292 I294	A262-T264 HydrophobicContact CB-CG2 4.39Å; T264-D266 WeakPolarHBondContact CB-O 3.36Å; T264-D266 PolarHBondContact OG1-O 2.9Å; T264-N291 PolarHBondContact O-N 3.25Å; T264-S292 PolarHBondContact N-O 3.31Å; T264-S292 WeakPolarHBondContact O-CA 3.35Å; T264-S292 WeakPolarHBondContact O-CB 3.26Å; T264-S292 PolarHBondContact O-N 3.29Å; T264-S292 WeakPolarHBondContact OG1-CB 3.11Å; T264-I294 HydrophobicContact CG2-CG1 4.37Å; T264-I294 WeakPolarHBondContact OG1-CG1 3.28Å
265	E	93.2	Very high	93.8	Very high	117 Å²	117	25.7 Å²	25.7	55%	0.547	14%	0.141	S	C	.	.	S	Bend	trans	-75.7	-49.4	171.7	-167.9	169.2	176.6	0	0	110.3	K289 N291 S292	E265-K289 VanDerWaalsContact CA-O 3.22Å; E265-K289 WeakPolarHBondContact CA-O 3.3Å; E265-K289 WeakPolarHBondContact CB-O 3.38Å; E265-N291 WeakPolarHBondContact O-CB 3.28Å; E265-N291 PolarHBondContact O-ND2 3.04Å; E265-S292 PolarHBondContact O-OG 2.81Å
266	D	95.3	Very high	93.1	Very high	108 Å²	108	31.1 Å²	31.1	58%	0.578	16%	0.161	S	C	*	.	S	Bend	trans	-116.7	165.8	-177.8	-67.2	-56.7	0	0	0	113.8	T264 S268	T264-D266 WeakPolarHBondContact CB-O 3.36Å; T264-D266 PolarHBondContact OG1-O 2.9Å; D266-S268 PolarHBondContact O-N 3.01Å; D266-S268 VanDerWaalsContact O-N 3.15Å
267	I	97.1	Very high	92	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.077	18%	0.183	C	C	.	.			trans	-66.3	110.7	173.2	-62.7	170.1	0	0	0	110.6	I294 Q331 W442 R443 N464 R466	I267-I294 HydrophobicContact CB-CD1 4.36Å; I267-I294 HydrophobicContact CG1-CD1 4.41Å; I267-I294 HydrophobicContact CG2-CD1 4.27Å; I267-Q331 HydrophobicContact CG1-CB 4.47Å; I267-W442 HydrophobicContact CB-CZ3 4.19Å; I267-W442 HydrophobicContact CD1-CE3 4.2Å; I267-W442 HydrophobicContact CD1-CH2 3.93Å; I267-W442 HydrophobicContact CD1-CZ2 4.4Å; I267-W442 HydrophobicContact CD1-CZ3 3.81Å; I267-W442 HydrophobicContact CG2-CE3 4.33Å; I267-W442 HydrophobicContact CG2-CZ3 3.87Å; I267-R443 PolarHBondContact O-NH2 3.16Å; I267-N464 HydrophobicContact CG2-CB 4.44Å; I267-R466 HydrophobicContact CD1-CG 4.46Å
268	S	96.8	Very high	90.6	Very high	14 Å²	14	41.9 Å²	41.9	10%	0.098	21%	0.209	C	C	.	.			trans	-62.9	144.1	179.1	-47.9	0	0	0	0	113.3	D266 R443 N464	D266-S268 PolarHBondContact O-N 3.01Å; D266-S268 VanDerWaalsContact O-N 3.15Å; S268-R443 PolarHBondContact O-NH2 3.18Å; S268-N464 PolarHBondContact O-ND2 3.37Å; S268-N464 PolarHBondContact O-OD1 3.01Å
269	D	96.8	Very high	88.8	Confident	88 Å²	88	45.5 Å²	45.5	47%	0.471	24%	0.239	S	C	.	.			trans	-111.9	-15.5	176	57.2	6.6	0	0	0	113.4	N445 A448	D269-N445 HydrophobicContact CB-CB 4.37Å; D269-N445 WeakPolarHBondContact O-CB 3.48Å; D269-A448 WeakPolarHBondContact O-CB 3.48Å
270	N	95.8	Very high	87.2	Confident	39 Å²	39	45.9 Å²	45.9	21%	0.209	24%	0.241	C	C	.	.			trans	-130.2	129.1	-174.2	-179	-84.3	0	0	0	112.9	Q272 S273 R447 A448	N270-Q272 PolarHBondContact ND2-OE1 3.09Å; N270-Q272 WeakPolarHBondContact OD1-CA 3.3Å; N270-Q272 VanDerWaalsContact OD1-CB 3.29Å; N270-Q272 WeakPolarHBondContact OD1-CB 3.42Å; N270-Q272 PolarHBondContact OD1-N 3.18Å; N270-Q272 PolarHBondContact OD1-OE1 2.88Å; N270-S273 PolarHBondContact O-OG 3.07Å; N270-S273 PolarHBondContact OD1-N 3.22Å; N270-R447 PolarHBondContact ND2-O 3.42Å; N270-A448 PolarHBondContact ND2-O 2.82Å
271	I	94.1	Very high	85.7	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-76.8	-30	-177.6	-168.7	64.5	0	0	0	113.2	H225 S273 I274 V275 Y296 L335 A448 D449 M462	H225-I271 WeakPolarHBondContact NE2-CG1 3.27Å; I271-S273 PolarHBondContact O-N 3.14Å; I271-I274 HydrophobicContact CD1-CB 4.41Å; I271-I274 HydrophobicContact CD1-CD1 4.31Å; I271-I274 PolarHBondContact O-N 3.42Å; I271-I274 VanDerWaalsContact O-N 3.1Å; I271-V275 HydrophobicContact CD1-CG2 4.1Å; I271-V275 HydrophobicContact CG1-CG2 4.02Å; I271-V275 PolarHBondContact O-N 3.2Å; I271-Y296 HydrophobicContact CD1-CD2 3.95Å; I271-Y296 HydrophobicContact CD1-CG 4.21Å; I271-L335 HydrophobicContact CB-CD2 4.19Å; I271-L335 HydrophobicContact CD1-CD2 4.32Å; I271-A448 WeakPolarHBondContact CG2-O 3.4Å; I271-A448 PolarHBondContact N-O 3.26Å; I271-D449 HydrophobicContact CG2-CB 3.75Å; I271-M462 HydrophobicContact CB-SD 3.92Å; I271-M462 HydrophobicContact CG2-SD 4.1Å
272	Q	91.3	Very high	84.1	Confident	23 Å²	23	56 Å²	56	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-35.5	178.3	-70.5	73.3	29.4	0	0	110.9	N270 I274 V275 R276 A448 D449 T450	N270-Q272 PolarHBondContact ND2-OE1 3.09Å; N270-Q272 WeakPolarHBondContact OD1-CA 3.3Å; N270-Q272 VanDerWaalsContact OD1-CB 3.29Å; N270-Q272 WeakPolarHBondContact OD1-CB 3.42Å; N270-Q272 PolarHBondContact OD1-N 3.18Å; N270-Q272 PolarHBondContact OD1-OE1 2.88Å; Q272-I274 VanDerWaalsContact C-N 3.26Å; Q272-I274 PolarHBondContact O-N 3.06Å; Q272-V275 PolarHBondContact O-N 2.89Å; Q272-R276 VanDerWaalsContact O-CB 3.26Å; Q272-R276 WeakPolarHBondContact O-CB 3.49Å; Q272-R276 PolarHBondContact O-N 3.14Å; Q272-A448 PolarHBondContact OE1-O 2.62Å; Q272-A448 VanDerWaalsContact OE1-O 3.08Å; Q272-D449 PolarHBondContact NE2-OD1 2.78Å; Q272-T450 VanDerWaalsContact NE2-N 3.11Å
273	S	90.2	Very high	82.9	Confident	59 Å²	59	57.6 Å²	57.6	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-37.6	173.1	76.1	0	0	0	0	112.1	N270 I271 E277	N270-S273 PolarHBondContact O-OG 3.07Å; N270-S273 PolarHBondContact OD1-N 3.22Å; I271-S273 PolarHBondContact O-N 3.14Å; S273-E277 WeakPolarHBondContact O-CB 3.43Å
274	I	89.6	Confident	82.1	Confident	6 Å²	6	66 Å²	66	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-77	-45.7	-179.3	-60.5	175.7	0	0	0	111.8	R241 A262 I271 Q272 I294 Y296 L335	R241-I274 PolarHBondContact NH2-O 3.44Å; A262-I274 HydrophobicContact CB-CD1 4.27Å; A262-I274 HydrophobicContact CB-CG1 4.41Å; A262-I274 HydrophobicContact CB-CG2 3.64Å; I271-I274 HydrophobicContact CD1-CB 4.41Å; I271-I274 HydrophobicContact CD1-CD1 4.31Å; I271-I274 PolarHBondContact O-N 3.42Å; I271-I274 VanDerWaalsContact O-N 3.1Å; Q272-I274 VanDerWaalsContact C-N 3.26Å; Q272-I274 PolarHBondContact O-N 3.06Å; I274-I294 HydrophobicContact CD1-CG2 4.11Å; I274-Y296 HydrophobicContact CG2-CD1 3.94Å; I274-Y296 HydrophobicContact CG2-CD2 4.49Å; I274-Y296 HydrophobicContact CG2-CE1 4.05Å; I274-Y296 HydrophobicContact CG2-CG 4.15Å; I274-L335 HydrophobicContact CD1-CD2 4.01Å
275	V	84.9	Confident	81.7	Confident	23 Å²	23	67.5 Å²	67.5	14%	0.139	35%	0.353	C	S	.	.	H	α-helix	trans	-87.1	-29	-169.1	179.3	0	0	0	0	112.8	I271 Q272	I271-V275 HydrophobicContact CD1-CG2 4.1Å; I271-V275 HydrophobicContact CG1-CG2 4.02Å; I271-V275 PolarHBondContact O-N 3.2Å; Q272-V275 PolarHBondContact O-N 2.89Å
276	R	77.9	Confident	81.5	Confident	113 Å²	113	64.4 Å²	64.4	43%	0.426	34%	0.34	S	S	.	.	S	Bend	trans	-98.3	1.2	-175.3	-57.2	-175.5	-176.7	-177.2	1.6	114	Q272 F278	Q272-R276 VanDerWaalsContact O-CB 3.26Å; Q272-R276 WeakPolarHBondContact O-CB 3.49Å; Q272-R276 PolarHBondContact O-N 3.14Å; R276-F278 WeakPolarHBondContact O-CD2 2.96Å; R276-F278 VanDerWaalsContact O-CE2 3.3Å; R276-F278 WeakPolarHBondContact O-CE2 3.33Å; R276-F278 PolarHBondContact O-N 2.93Å; R276-F278 VanDerWaalsContact O-N 3.09Å
277	E	71	Confident	81.1	Confident	97 Å²	97	63.6 Å²	63.6	45%	0.453	34%	0.335	S	S	.	.			trans	-70.4	105.1	176.2	-165.9	167.6	-148.4	0	0	109.8	R241 S273 A279 T280	R241-E277 IonicContact NH2-OE2 3.7Å; R241-E277 PolarHBondContact NH2-OE2 3.44Å; S273-E277 WeakPolarHBondContact O-CB 3.43Å; E277-A279 VanDerWaalsContact C-N 3.35Å; E277-T280 HydrophobicContact CG-CG2 4.42Å
278	F	61.7	Low	80.5	Confident	137 Å²	137	69.7 Å²	69.7	60%	0.601	37%	0.367	S	S	*	.			trans	-83.6	-11.1	-177.1	-72.2	-82.5	0	0	0	113.4	R276 T280	R276-F278 WeakPolarHBondContact O-CD2 2.96Å; R276-F278 VanDerWaalsContact O-CE2 3.3Å; R276-F278 WeakPolarHBondContact O-CE2 3.33Å; R276-F278 PolarHBondContact O-N 2.93Å; R276-F278 VanDerWaalsContact O-N 3.09Å; F278-T280 PolarHBondContact O-N 2.83Å
279	A	56.7	Low	80.1	Confident	79 Å²	79	74.6 Å²	74.6	65%	0.653	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.4	-172.2	0	0	0	0	0	114.5	E277	E277-A279 VanDerWaalsContact C-N 3.35Å
280	T	61	Low	79.9	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.043	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.2	-166.8	57.9	0	0	0	0	115.8	P239 Y240 E277 F278 D282	P239-T280 VanDerWaalsContact CD-O 3.31Å; P239-T280 WeakPolarHBondContact CD-O 3.48Å; P239-T280 VanDerWaalsContact CG-O 3.26Å; P239-T280 WeakPolarHBondContact CG-O 3.35Å; Y240-T280 HydrophobicContact CD2-CG2 4.28Å; E277-T280 HydrophobicContact CG-CG2 4.42Å; F278-T280 PolarHBondContact O-N 2.83Å; T280-D282 PolarHBondContact O-N 3.08Å
281	L	63.7	Low	79.9	Confident	57 Å²	57	71.2 Å²	71.2	30%	0.298	37%	0.369	S	S	.	.	S	Bend	trans	-68.5	-34	-173.1	-79.9	167	0	0	0	113.9	K234 R235	K234-L281 HydrophobicContact CB-CD2 4.36Å; K234-L281 HydrophobicContact CD-CD2 4.04Å; K234-L281 HydrophobicContact CG-CD2 3.98Å; R235-L281 HydrophobicContact CG-CD1 4.13Å; R235-L281 HydrophobicContact CG-CD2 3.59Å; R235-L281 HydrophobicContact CG-CG 3.69Å
282	D	64.8	Low	80	Confident	156 Å²	156	71 Å²	71	83%	0.834	37%	0.368	S	S	*	.	S	Bend	trans	-123.8	12.4	-177.7	-56	-47.5	0	0	0	112.2	T280	T280-D282 PolarHBondContact O-N 3.08Å
283	A	70.3	Confident	80.3	Confident	34 Å²	34	70 Å²	70	28%	0.281	36%	0.363	S	S	.	.			trans	-82.2	134.8	-179.3	0	0	0	0	0	111.3	P239 Y240	P239-A283 WeakPolarHBondContact CB-O 3.13Å; P239-A283 WeakPolarHBondContact CG-O 2.88Å; Y240-A283 HydrophobicContact CE2-CB 4.23Å
284	E	78.9	Confident	80.6	Confident	180 Å²	180	67.1 Å²	67.1	84%	0.841	34%	0.343	S	S	*	.			trans	-72.4	141.1	167	-66.2	-171.9	162.5	0	0	110.4	Y240 D286	Y240-E284 PolarHBondContact OH-O 2.68Å; E284-D286 PolarHBondContact O-N 3.23Å
285	E	85.6	Confident	81	Confident	61 Å²	61	66.9 Å²	66.9	29%	0.285	34%	0.342	S	S	.	.			trans	-74.9	116	178.2	-65.9	-171.5	147.5	0	0	109.8	P239 Y240 R242 I287 I290	P239-E285 WeakPolarHBondContact CA-OE1 3Å; P239-E285 HydrophobicContact CB-CG 4Å; Y240-E285 HydrophobicContact CD2-CG 4.42Å; Y240-E285 HydrophobicContact CE2-CG 4.43Å; Y240-E285 PolarHBondContact N-OE1 2.99Å; R242-E285 IonicContact CZ-OE2 3.34Å; R242-E285 IonicContact NE-OE1 3.9Å; R242-E285 IonicContact NH2-OE1 3.53Å; R242-E285 IonicContact NH2-OE2 2.98Å; R242-E285 PolarHBondContact NH2-OE2 3.44Å; E285-I287 PolarHBondContact O-N 3.37Å; E285-I290 HydrophobicContact CB-CD1 4.43Å
286	D	87.1	Confident	81.5	Confident	53 Å²	53	66 Å²	66	28%	0.283	34%	0.336	S	S	.	.			trans	-84.6	98.5	171.4	-174	-8.5	0	0	0	109.2	Y240 E284 N288 K289	Y240-D286 PolarHBondContact OH-N 3Å; E284-D286 PolarHBondContact O-N 3.23Å; D286-N288 PolarHBondContact O-N 2.92Å; D286-N288 VanDerWaalsContact O-N 3.13Å; D286-N288 WeakPolarHBondContact OD1-CB 3.46Å; D286-N288 PolarHBondContact OD1-N 2.75Å; D286-N288 VanDerWaalsContact OD1-N 3.12Å; D286-K289 HydrophobicContact CB-CB 4.43Å; D286-K289 HydrophobicContact CB-CD 4.16Å; D286-K289 HydrophobicContact CB-CG 4.32Å; D286-K289 PolarHBondContact O-N 2.75Å; D286-K289 VanDerWaalsContact O-N 3.08Å; D286-K289 VanDerWaalsContact OD2-CD 3.32Å; D286-K289 WeakPolarHBondContact OD2-CD 3.47Å; D286-K289 WeakPolarHBondContact OD2-CE 3.41Å; D286-K289 WeakPolarHBondContact OD2-CG 3.48Å; D286-K289 IonicContact OD2-NZ 3.42Å
287	I	87.1	Confident	82.3	Confident	90 Å²	90	60.7 Å²	60.7	46%	0.462	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-54.7	-32.2	-178.2	-60.4	175.4	0	0	0	111.5	E285 K289 I290 F326	E285-I287 PolarHBondContact O-N 3.37Å; I287-K289 VanDerWaalsContact C-N 3.3Å; I287-K289 PolarHBondContact O-N 3.14Å; I287-I290 PolarHBondContact O-N 3.34Å; I287-F326 HydrophobicContact CG1-CE1 4.42Å; I287-F326 HydrophobicContact CG2-CD1 4.17Å
288	N	86.4	Confident	83.3	Confident	143 Å²	143	58 Å²	58	77%	0.765	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-73.9	-22.3	-176.3	-60.1	-54.3	0	0	0	113.1	D286	D286-N288 PolarHBondContact O-N 2.92Å; D286-N288 VanDerWaalsContact O-N 3.13Å; D286-N288 WeakPolarHBondContact OD1-CB 3.46Å; D286-N288 PolarHBondContact OD1-N 2.75Å; D286-N288 VanDerWaalsContact OD1-N 3.12Å
289	K	88.1	Confident	84.7	Confident	117 Å²	117	51.5 Å²	51.5	51%	0.509	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-89.1	-10.1	178	-67.5	179.6	-177.2	165.8	0	113	E265 D286 I287 N291	E265-K289 VanDerWaalsContact CA-O 3.22Å; E265-K289 WeakPolarHBondContact CA-O 3.3Å; E265-K289 WeakPolarHBondContact CB-O 3.38Å; D286-K289 HydrophobicContact CB-CB 4.43Å; D286-K289 HydrophobicContact CB-CD 4.16Å; D286-K289 HydrophobicContact CB-CG 4.32Å; D286-K289 PolarHBondContact O-N 2.75Å; D286-K289 VanDerWaalsContact O-N 3.08Å; D286-K289 VanDerWaalsContact OD2-CD 3.32Å; D286-K289 WeakPolarHBondContact OD2-CD 3.47Å; D286-K289 WeakPolarHBondContact OD2-CE 3.41Å; D286-K289 WeakPolarHBondContact OD2-CG 3.48Å; D286-K289 IonicContact OD2-NZ 3.42Å; I287-K289 VanDerWaalsContact C-N 3.3Å; I287-K289 PolarHBondContact O-N 3.14Å; K289-N291 PolarHBondContact O-N 2.65Å
290	I	92.4	Very high	86.2	Confident	7 Å²	7	51 Å²	51	4%	0.036	27%	0.268	C	S	.	.			trans	-90.3	101.2	-177	-62.8	166.6	0	0	0	109.1	Y240 L263 E285 I287 F326 M329	Y240-I290 HydrophobicContact CD1-CD1 4.2Å; Y240-I290 HydrophobicContact CD1-CG1 4.25Å; Y240-I290 HydrophobicContact CE1-CD1 4.2Å; Y240-I290 HydrophobicContact CE1-CG1 4.22Å; L263-I290 HydrophobicContact CB-CD1 4.35Å; L263-I290 HydrophobicContact CB-CG1 4.25Å; L263-I290 HydrophobicContact CB-CG2 3.91Å; L263-I290 HydrophobicContact CD1-CD1 4.13Å; L263-I290 HydrophobicContact CD1-CG2 4.37Å; L263-I290 HydrophobicContact CD2-CG2 4.29Å; L263-I290 HydrophobicContact CG-CG2 4.41Å; E285-I290 HydrophobicContact CB-CD1 4.43Å; I287-I290 PolarHBondContact O-N 3.34Å; I290-F326 HydrophobicContact CB-CD1 4.45Å; I290-F326 HydrophobicContact CD1-CD1 4.42Å; I290-F326 HydrophobicContact CD1-CE1 3.74Å; I290-F326 HydrophobicContact CD1-CZ 4.1Å; I290-F326 HydrophobicContact CG2-CD1 4.18Å; I290-F326 HydrophobicContact CG2-CE1 4.4Å; I290-F326 HydrophobicContact CG2-CG 4.3Å; I290-M329 HydrophobicContact CG2-CE 3.5Å
291	N	94.7	Very high	87.6	Confident	50 Å²	50	51.3 Å²	51.3	27%	0.267	27%	0.27	S	S	.	.			trans	-120.5	-22.1	179.4	175	48	0	0	0	112.9	T264 E265 K289 M329 A330 Q331	T264-N291 PolarHBondContact O-N 3.25Å; E265-N291 WeakPolarHBondContact O-CB 3.28Å; E265-N291 PolarHBondContact O-ND2 3.04Å; K289-N291 PolarHBondContact O-N 2.65Å; N291-M329 WeakPolarHBondContact O-CG 3.38Å; N291-A330 PolarHBondContact O-N 2.72Å; N291-Q331 PolarHBondContact O-N 2.87Å; N291-Q331 VanDerWaalsContact O-N 3.16Å
292	S	96.1	Very high	88.9	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	-174.7	-61.3	0	0	0	0	112.2	T264 E265 Q331	T264-S292 PolarHBondContact N-O 3.31Å; T264-S292 WeakPolarHBondContact O-CA 3.35Å; T264-S292 WeakPolarHBondContact O-CB 3.26Å; T264-S292 PolarHBondContact O-N 3.29Å; T264-S292 WeakPolarHBondContact OG1-CB 3.11Å; E265-S292 PolarHBondContact O-OG 2.81Å; S292-Q331 CarbonylContact C-O 3.58Å; S292-Q331 WeakPolarHBondContact CA-O 3.38Å; S292-Q331 WeakPolarHBondContact OG-CB 3.43Å; S292-Q331 PolarHBondContact OG-OE1 2.96Å; S292-Q331 VanDerWaalsContact OG-OE1 3.06Å
293	A	97.4	Very high	90.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.2	170.7	0	0	0	0	0	110.7	V261 L322 M329 Q331 F332 S333	V261-A293 HydrophobicContact CG1-CB 3.86Å; A293-L322 HydrophobicContact CB-CD1 3.86Å; A293-M329 HydrophobicContact CB-CE 4.24Å; A293-M329 HydrophobicContact CB-SD 3.61Å; A293-Q331 PolarHBondContact N-O 2.99Å; A293-F332 HydrophobicContact CB-CD1 3.79Å; A293-F332 HydrophobicContact CB-CE1 4.03Å; A293-S333 PolarHBondContact O-N 2.87Å
294	I	97.8	Very high	91.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.6	-174.8	-47.4	-57.5	0	0	0	110.9	V261 A262 T264 I267 I274 Y296 S333 L335	V261-I294 CarbonylContact C-O 3.2Å; V261-I294 WeakPolarHBondContact CA-O 3.49Å; A262-I294 HydrophobicContact CB-CB 4.34Å; A262-I294 PolarHBondContact N-O 3.27Å; A262-I294 PolarHBondContact O-N 2.95Å; T264-I294 HydrophobicContact CG2-CG1 4.37Å; T264-I294 WeakPolarHBondContact OG1-CG1 3.28Å; I267-I294 HydrophobicContact CB-CD1 4.36Å; I267-I294 HydrophobicContact CG1-CD1 4.41Å; I267-I294 HydrophobicContact CG2-CD1 4.27Å; I274-I294 HydrophobicContact CD1-CG2 4.11Å; I294-Y296 PolarHBondContact O-N 2.91Å; I294-Y296 VanDerWaalsContact O-N 3.09Å; I294-S333 CarbonylContact C-O 3.55Å; I294-S333 VanDerWaalsContact CA-O 3.23Å; I294-S333 WeakPolarHBondContact CA-O 3.46Å; I294-L335 HydrophobicContact CG2-CB 3.83Å
295	F	96.8	Very high	91.9	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	90.6	173.8	-49.4	-55.3	0	0	0	109.7	L259 V261 I315 V318 V319 L322 F332 S333 S334 L335 Y467	L259-F295 HydrophobicContact CD1-CB 3.96Å; L259-F295 HydrophobicContact CD1-CD1 3.88Å; L259-F295 HydrophobicContact CD1-CG 4.21Å; L259-F295 HydrophobicContact CD2-CD1 3.9Å; L259-F295 HydrophobicContact CD2-CE1 4.13Å; L259-F295 HydrophobicContact CG-CD1 4.23Å; V261-F295 HydrophobicContact CG1-CD1 4.2Å; V261-F295 HydrophobicContact CG1-CE1 4.25Å; V261-F295 HydrophobicContact CG2-CD1 3.92Å; V261-F295 HydrophobicContact CG2-CE1 4.13Å; F295-I315 HydrophobicContact CD2-CG2 4.36Å; F295-I315 HydrophobicContact CE2-CG2 3.74Å; F295-I315 HydrophobicContact CZ-CG2 3.97Å; F295-V318 HydrophobicContact CE1-CG1 4.28Å; F295-V319 HydrophobicContact CZ-CG2 3.91Å; F295-L322 HydrophobicContact CE1-CD1 4.48Å; F295-F332 HydrophobicContact CE2-CB 4.19Å; F295-F332 HydrophobicContact CZ-CB 4.44Å; F295-F332 HydrophobicContact CZ-CD1 4.17Å; F295-S333 WeakPolarHBondContact CD2-O 3.35Å; F295-S333 PolarHBondContact N-O 3Å; F295-S334 WeakPolarHBondContact O-CA 3.4Å; F295-S334 WeakPolarHBondContact O-CB 3.25Å; F295-L335 PolarHBondContact O-N 2.8Å; F295-Y467 HydrophobicContact CD2-CD2 4.11Å; F295-Y467 AromaticContact CD2-CE2 3.99Å; F295-Y467 HydrophobicContact CD2-CE2 3.99Å; F295-Y467 AromaticContact CE2-CD2 3.88Å; F295-Y467 HydrophobicContact CE2-CD2 3.88Å; F295-Y467 HydrophobicContact CE2-CE2 4.13Å
296	Y	95.7	Very high	92	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-15.5	-172.7	71.9	-94.8	0	0	0	113.8	H260 A262 I271 I274 I294	H260-Y296 HydrophobicContact CB-CD1 4.22Å; H260-Y296 HydrophobicContact CB-CD2 4.37Å; H260-Y296 HydrophobicContact CB-CE1 3.58Å; H260-Y296 HydrophobicContact CB-CE2 3.74Å; H260-Y296 WeakPolarHBondContact CB-OH 3.18Å; H260-Y296 PolarHBondContact O-N 2.98Å; A262-Y296 HydrophobicContact CB-CD1 3.9Å; A262-Y296 HydrophobicContact CB-CE1 4.11Å; I271-Y296 HydrophobicContact CD1-CD2 3.95Å; I271-Y296 HydrophobicContact CD1-CG 4.21Å; I274-Y296 HydrophobicContact CG2-CD1 3.94Å; I274-Y296 HydrophobicContact CG2-CD2 4.49Å; I274-Y296 HydrophobicContact CG2-CE1 4.05Å; I274-Y296 HydrophobicContact CG2-CG 4.15Å; I294-Y296 PolarHBondContact O-N 2.91Å; I294-Y296 VanDerWaalsContact O-N 3.09Å
297	S	94.4	Very high	91.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130.6	170.5	176.4	0	0	0	0	111.2	E222 V224 L259 H260	E222-S297 VanDerWaalsContact CD-OG 3.27Å; E222-S297 PolarHBondContact OE1-OG 3.4Å; E222-S297 PolarHBondContact OE2-OG 2.73Å; E222-S297 VanDerWaalsContact OE2-OG 3.09Å; V224-S297 WeakPolarHBondContact CG2-OG 3.39Å; L259-S297 WeakPolarHBondContact CA-O 3.44Å; H260-S297 PolarHBondContact N-O 2.93Å
298	I	92.6	Very high	91.9	Very high	39 Å²	39	33.9 Å²	33.9	20%	0.2	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.7	171	-43.9	-170	0	0	0	107	V257 V258 L259 I315 F433	V257-I298 HydrophobicContact CG1-CG2 3.97Å; V258-I298 WeakPolarHBondContact O-CA 3.36Å; L259-I298 HydrophobicContact CD1-CD1 3.9Å; L259-I298 HydrophobicContact CD1-CG1 3.57Å; I298-I315 HydrophobicContact CD1-CD1 3.98Å; I298-F433 HydrophobicContact CD1-CE1 3.8Å; I298-F433 HydrophobicContact CD1-CZ 4.39Å
299	S	90.8	Very high	91.3	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.6	-176.6	-66.4	0	0	0	0	110.2	A223 V257 V258	A223-S299 PolarHBondContact N-OG 3.3Å; A223-S299 VanDerWaalsContact N-OG 3.08Å; V257-S299 WeakPolarHBondContact CA-O 3.2Å; V258-S299 PolarHBondContact N-O 3.3Å; V258-S299 PolarHBondContact O-N 3.24Å
300	S	89.3	Confident	90.6	Very high	67 Å²	67	27.8 Å²	27.8	47%	0.469	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.9	166.3	-175.7	0	0	0	0	107.9
301	T	89.6	Confident	89.3	Confident	15 Å²	15	27.9 Å²	27.9	9%	0.092	17%	0.168	C	C	.	.			trans	-81.4	-34.2	-173.4	60.4	0	0	0	0	111.7	Y221 P255 L256 V258	Y221-T301 HydrophobicContact CD2-CG2 3.74Å; Y221-T301 HydrophobicContact CG-CG2 3.93Å; P255-T301 HydrophobicContact CB-CG2 4.48Å; P255-T301 HydrophobicContact CG-CG2 4.31Å; P255-T301 WeakPolarHBondContact O-CB 3.49Å; P255-T301 WeakPolarHBondContact O-CG2 3.34Å; P255-T301 PolarHBondContact O-OG1 3.14Å; L256-T301 WeakPolarHBondContact CA-OG1 3.35Å; L256-T301 PolarHBondContact O-N 2.88Å; L256-T301 PolarHBondContact O-OG1 2.81Å; V258-T301 HydrophobicContact CG2-CG2 3.88Å
302	Q	91.2	Very high	88.1	Confident	9 Å²	9	26.6 Å²	26.6	4%	0.042	16%	0.161	C	C	.	.			trans	-98.6	106.6	-175.3	-53.6	-58.6	-39.1	0	0	110.4	V161 M251 E254 L256 G304 L305	V161-Q302 HydrophobicContact CG1-CB 3.87Å; V161-Q302 HydrophobicContact CG1-CG 4.42Å; M251-Q302 HydrophobicContact CE-CG 4.24Å; E254-Q302 PolarHBondContact OE2-NE2 2.87Å; E254-Q302 VanDerWaalsContact OE2-NE2 3.13Å; L256-Q302 HydrophobicContact CD2-CG 3.88Å; Q302-G304 PolarHBondContact O-N 2.91Å; Q302-L305 HydrophobicContact CB-CB 4.34Å; Q302-L305 HydrophobicContact CB-CD1 3.91Å; Q302-L305 HydrophobicContact CB-CG 4.01Å; Q302-L305 HydrophobicContact CG-CD1 4.22Å; Q302-L305 PolarHBondContact O-N 3.14Å; Q302-L305 VanDerWaalsContact O-N 3.08Å
303	A	91.1	Very high	87.2	Confident	63 Å²	63	31.8 Å²	31.8	52%	0.521	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-59.6	-35.6	178.8	0	0	0	0	0	112.4	A165 L168 L305 Q306	A165-A303 HydrophobicContact CB-CB 4.11Å; L168-A303 WeakPolarHBondContact CD1-O 3.43Å; A303-L305 PolarHBondContact O-N 3.43Å; A303-L305 VanDerWaalsContact O-N 3.12Å; A303-Q306 VanDerWaalsContact O-CB 3.22Å; A303-Q306 WeakPolarHBondContact O-CB 3.37Å; A303-Q306 PolarHBondContact O-N 2.88Å
304	G	93.1	Very high	86.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-64.1	-13.8	176.9	0	0	0	0	0	115	V161 R164 Q302	V161-G304 VanDerWaalsContact O-CA 3.31Å; V161-G304 WeakPolarHBondContact O-CA 3.31Å; R164-G304 WeakPolarHBondContact CD-O 3.36Å; R164-G304 PolarHBondContact NH1-O 3.1Å; Q302-G304 PolarHBondContact O-N 2.91Å
305	L	92.3	Very high	86.2	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-93.9	5.4	174.2	-63.3	178.4	0	0	0	112.8	V161 L192 F196 L256 Q302 A303 G307 V308 L310	V161-L305 HydrophobicContact CG1-CD2 4.48Å; V161-L305 HydrophobicContact CG1-CG 4.06Å; V161-L305 HydrophobicContact CG2-CD2 3.85Å; V161-L305 HydrophobicContact CG2-CG 4.22Å; L192-L305 HydrophobicContact CB-CD2 4.38Å; L192-L305 HydrophobicContact CD1-CD2 4.47Å; L192-L305 HydrophobicContact CD2-CD2 4.34Å; F196-L305 HydrophobicContact CD1-CD1 3.98Å; F196-L305 HydrophobicContact CD1-CD2 4.39Å; F196-L305 HydrophobicContact CD2-CD2 3.78Å; F196-L305 HydrophobicContact CE1-CD1 3.82Å; F196-L305 HydrophobicContact CE1-CD2 4.38Å; F196-L305 HydrophobicContact CE2-CD2 3.79Å; F196-L305 HydrophobicContact CG-CD1 4.44Å; F196-L305 HydrophobicContact CG-CD2 4.09Å; F196-L305 HydrophobicContact CZ-CD1 4.17Å; F196-L305 HydrophobicContact CZ-CD2 4.08Å; L256-L305 HydrophobicContact CD1-CD1 4.49Å; L256-L305 HydrophobicContact CD2-CD1 3.9Å; Q302-L305 HydrophobicContact CB-CB 4.34Å; Q302-L305 HydrophobicContact CB-CD1 3.91Å; Q302-L305 HydrophobicContact CB-CG 4.01Å; Q302-L305 HydrophobicContact CG-CD1 4.22Å; Q302-L305 PolarHBondContact O-N 3.14Å; Q302-L305 VanDerWaalsContact O-N 3.08Å; A303-L305 PolarHBondContact O-N 3.43Å; A303-L305 VanDerWaalsContact O-N 3.12Å; L305-G307 PolarHBondContact O-N 3.28Å; L305-V308 HydrophobicContact CD2-CG2 4.34Å; L305-V308 VanDerWaalsContact O-CB 3.28Å; L305-V308 WeakPolarHBondContact O-CB 3.42Å; L305-V308 WeakPolarHBondContact O-CG2 3.44Å; L305-V308 PolarHBondContact O-N 3.37Å; L305-L310 HydrophobicContact CB-CD1 4.03Å; L305-L310 HydrophobicContact CD1-CD1 3.81Å; L305-L310 HydrophobicContact CG-CD1 4.5Å
306	Q	89.3	Confident	85.9	Confident	129 Å²	129	35.4 Å²	35.4	60%	0.603	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	127.3	177.9	-173.3	179.9	-2	0	0	111.5	R164 L168 A303 V308	R164-Q306 PolarHBondContact NH2-O 2.88Å; L168-Q306 HydrophobicContact CD1-CB 3.99Å; A303-Q306 VanDerWaalsContact O-CB 3.22Å; A303-Q306 WeakPolarHBondContact O-CB 3.37Å; A303-Q306 PolarHBondContact O-N 2.88Å; Q306-V308 VanDerWaalsContact C-N 3.26Å; Q306-V308 PolarHBondContact O-N 2.98Å
307	G	84.3	Confident	85.7	Confident	48 Å²	48	38.8 Å²	38.8	50%	0.495	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	8.3	-178.1	0	0	0	0	0	115.2	K189 L305	K189-G307 WeakPolarHBondContact CE-O 3.48Å; K189-G307 PolarHBondContact NZ-O 3.03Å; L305-G307 PolarHBondContact O-N 3.28Å
308	V	86.4	Confident	85.7	Confident	14 Å²	14	38.7 Å²	38.7	9%	0.085	21%	0.21	C	C	.	.	S	Bend	trans	-85.1	130.7	159.1	-179.2	0	0	0	0	107.4	L192 F196 L305 Q306 L310	L192-V308 HydrophobicContact CB-CG2 4.3Å; F196-V308 HydrophobicContact CB-CG1 4.28Å; L305-V308 HydrophobicContact CD2-CG2 4.34Å; L305-V308 VanDerWaalsContact O-CB 3.28Å; L305-V308 WeakPolarHBondContact O-CB 3.42Å; L305-V308 WeakPolarHBondContact O-CG2 3.44Å; L305-V308 PolarHBondContact O-N 3.37Å; Q306-V308 VanDerWaalsContact C-N 3.26Å; Q306-V308 PolarHBondContact O-N 2.98Å; V308-L310 VanDerWaalsContact C-N 3.26Å; V308-L310 HydrophobicContact CG1-CD2 4.07Å; V308-L310 HydrophobicContact CG1-CG 4.22Å; V308-L310 PolarHBondContact O-N 3.06Å
309	E	74.9	Confident	85.7	Confident	126 Å²	126	37.1 Å²	37.1	59%	0.589	20%	0.202	S	C	*	.	S	Bend	trans	-76.5	68.1	-171.6	-64	-175.8	177.7	0	0	113.1
310	L	73.1	Confident	85.8	Confident	6 Å²	6	45 Å²	45	3%	0.031	23%	0.232	C	C	.	.			trans	-82.3	-42.2	177.7	-57.4	174.9	0	0	0	111.9	F196 L201 L256 V257 L305 V308 N312	F196-L310 HydrophobicContact CB-CD2 3.83Å; L201-L310 HydrophobicContact CD1-CD2 3.74Å; L256-L310 HydrophobicContact CB-CD1 4.5Å; V257-L310 HydrophobicContact CG2-CB 3.73Å; V257-L310 HydrophobicContact CG2-CD1 3.81Å; V257-L310 HydrophobicContact CG2-CG 4.44Å; L305-L310 HydrophobicContact CB-CD1 4.03Å; L305-L310 HydrophobicContact CD1-CD1 3.81Å; L305-L310 HydrophobicContact CG-CD1 4.5Å; V308-L310 VanDerWaalsContact C-N 3.26Å; V308-L310 HydrophobicContact CG1-CD2 4.07Å; V308-L310 HydrophobicContact CG1-CG 4.22Å; V308-L310 PolarHBondContact O-N 3.06Å; L310-N312 VanDerWaalsContact C-N 3.26Å; L310-N312 PolarHBondContact O-N 3.48Å
311	G	65.1	Low	86.1	Confident	8 Å²	8	46.3 Å²	46.3	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-23.2	-170.1	0	0	0	0	0	113.7	Y313 L314	G311-Y313 PolarHBondContact O-N 3.49Å; G311-Y313 VanDerWaalsContact O-N 3.15Å; G311-L314 PolarHBondContact O-N 3.19Å
312	N	68.3	Low	86.4	Confident	23 Å²	23	45.6 Å²	45.6	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-65.9	-27	-171.9	-68	-0.9	0	0	0	114.6	L310 N437	L310-N312 VanDerWaalsContact C-N 3.26Å; L310-N312 PolarHBondContact O-N 3.48Å; N312-N437 WeakPolarHBondContact CA-OD1 3.34Å; N312-N437 WeakPolarHBondContact CB-OD1 3.5Å; N312-N437 PolarHBondContact O-OD1 3.15Å; N312-N437 VanDerWaalsContact OD1-CG 3.24Å; N312-N437 PolarHBondContact OD1-ND2 3.49Å; N312-N437 PolarHBondContact OD1-OD1 2.98Å
313	Y	77.1	Confident	86.5	Confident	109 Å²	109	48.6 Å²	48.6	43%	0.427	24%	0.24	S	C	.	.	H	α-helix	trans	-102.9	-17.1	-178.4	-62.7	-94	0	0	0	112.2	V198 G311 R317	V198-Y313 HydrophobicContact CB-CD1 4.41Å; V198-Y313 HydrophobicContact CB-CD2 4.38Å; V198-Y313 HydrophobicContact CB-CG 4.12Å; V198-Y313 HydrophobicContact CG1-CD1 3.99Å; V198-Y313 HydrophobicContact CG1-CG 3.81Å; V198-Y313 HydrophobicContact CG2-CD1 3.92Å; V198-Y313 HydrophobicContact CG2-CD2 3.14Å; V198-Y313 HydrophobicContact CG2-CE1 4.33Å; V198-Y313 HydrophobicContact CG2-CE2 3.63Å; V198-Y313 HydrophobicContact CG2-CG 3.28Å; G311-Y313 PolarHBondContact O-N 3.49Å; G311-Y313 VanDerWaalsContact O-N 3.15Å; Y313-R317 WeakPolarHBondContact O-CB 3.09Å; Y313-R317 WeakPolarHBondContact O-CG 3.44Å; Y313-R317 PolarHBondContact O-N 3.01Å
314	L	85.6	Confident	86.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-53.5	177.3	-178.1	59.6	0	0	0	110.4	L203 F246 V257 L259 G311 K316 R317 V318	L203-L314 HydrophobicContact CD1-CD1 3.62Å; F246-L314 HydrophobicContact CD1-CD1 4.19Å; F246-L314 HydrophobicContact CD2-CB 3.93Å; F246-L314 HydrophobicContact CD2-CD1 3.64Å; F246-L314 HydrophobicContact CD2-CG 4.23Å; F246-L314 HydrophobicContact CE1-CD1 4.16Å; F246-L314 HydrophobicContact CE2-CB 3.39Å; F246-L314 HydrophobicContact CE2-CD1 3.63Å; F246-L314 HydrophobicContact CE2-CG 4.06Å; F246-L314 HydrophobicContact CG-CD1 3.93Å; F246-L314 VanDerWaalsContact CZ-CA 3.5Å; F246-L314 HydrophobicContact CZ-CB 4.05Å; F246-L314 HydrophobicContact CZ-CD1 3.88Å; V257-L314 HydrophobicContact CB-CD2 3.91Å; V257-L314 HydrophobicContact CG1-CD2 3.36Å; L259-L314 HydrophobicContact CB-CD2 3.87Å; L259-L314 HydrophobicContact CB-CG 4.34Å; L259-L314 HydrophobicContact CD2-CG 4.29Å; G311-L314 PolarHBondContact O-N 3.19Å; L314-K316 VanDerWaalsContact C-N 3.35Å; L314-K316 PolarHBondContact O-N 3.03Å; L314-R317 PolarHBondContact O-N 3.37Å; L314-V318 HydrophobicContact CD1-CG2 4.04Å; L314-V318 HydrophobicContact CG-CG2 4.48Å; L314-V318 WeakPolarHBondContact O-CB 3.4Å; L314-V318 VanDerWaalsContact O-CG2 3.3Å; L314-V318 WeakPolarHBondContact O-CG2 3.4Å; L314-V318 PolarHBondContact O-N 3.22Å
315	I	89.8	Confident	86.7	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-45.2	-176.7	-61	176	0	0	0	109.9	F295 I298 R317 V318 V319 F433 Y467	F295-I315 HydrophobicContact CD2-CG2 4.36Å; F295-I315 HydrophobicContact CE2-CG2 3.74Å; F295-I315 HydrophobicContact CZ-CG2 3.97Å; I298-I315 HydrophobicContact CD1-CD1 3.98Å; I315-R317 PolarHBondContact O-N 3.22Å; I315-V318 PolarHBondContact O-N 3.39Å; I315-V319 HydrophobicContact CG2-CG2 4.23Å; I315-V319 WeakPolarHBondContact O-CB 3.04Å; I315-V319 WeakPolarHBondContact O-CG2 3.44Å; I315-V319 PolarHBondContact O-N 3.25Å; I315-F433 HydrophobicContact CD1-CE1 4.09Å; I315-F433 HydrophobicContact CD1-CZ 4.36Å; I315-Y467 HydrophobicContact CD1-CE1 4.38Å; I315-Y467 HydrophobicContact CD1-CE2 4.15Å; I315-Y467 WeakPolarHBondContact CD1-OH 3.42Å; I315-Y467 HydrophobicContact CG2-CD1 4.4Å; I315-Y467 HydrophobicContact CG2-CD2 4.36Å; I315-Y467 HydrophobicContact CG2-CE1 4.2Å; I315-Y467 HydrophobicContact CG2-CE2 4.13Å; I315-Y467 HydrophobicContact CG2-CG 4.47Å
316	K	89.6	Confident	86.8	Confident	74 Å²	74	53.6 Å²	53.6	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-40.7	178.1	-67	-176	-179.1	-178	0	112.9	L314 R320	L314-K316 VanDerWaalsContact C-N 3.35Å; L314-K316 PolarHBondContact O-N 3.03Å; K316-R320 WeakPolarHBondContact O-CG 3.41Å; K316-R320 PolarHBondContact O-N 3.3Å
317	R	91.5	Very high	86.9	Confident	74 Å²	74	52 Å²	52	28%	0.279	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-42.4	176.8	-76.5	-166.6	173.6	179.7	3.7	111.8	V198 L201 L203 Y313 L314 I315 R320 E321	V198-R317 PolarHBondContact O-NH2 2.9Å; L201-R317 PolarHBondContact O-NH1 2.84Å; L203-R317 HydrophobicContact CD2-CB 4.01Å; Y313-R317 WeakPolarHBondContact O-CB 3.09Å; Y313-R317 WeakPolarHBondContact O-CG 3.44Å; Y313-R317 PolarHBondContact O-N 3.01Å; L314-R317 PolarHBondContact O-N 3.37Å; I315-R317 PolarHBondContact O-N 3.22Å; R317-R320 PolarHBondContact O-N 2.95Å; R317-E321 PolarHBondContact O-N 3.19Å
318	V	94.1	Very high	87.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-39.2	178.6	169.2	0	0	0	0	111.4	L203 Y244 L259 V261 F295 L314 I315 R320 E321 L322	L203-V318 HydrophobicContact CD1-CG2 3.81Å; L203-V318 HydrophobicContact CD2-CG2 3.86Å; L203-V318 HydrophobicContact CG-CG2 4.46Å; Y244-V318 HydrophobicContact CD1-CG2 4.39Å; Y244-V318 HydrophobicContact CD2-CB 4.27Å; Y244-V318 HydrophobicContact CD2-CG1 3.48Å; Y244-V318 VanDerWaalsContact CD2-CG1 3.48Å; Y244-V318 HydrophobicContact CD2-CG2 3.81Å; Y244-V318 HydrophobicContact CE2-CG1 3.54Å; Y244-V318 HydrophobicContact CE2-CG2 4.48Å; Y244-V318 HydrophobicContact CG-CG1 4.28Å; Y244-V318 HydrophobicContact CG-CG2 3.75Å; L259-V318 HydrophobicContact CD2-CB 3.86Å; L259-V318 HydrophobicContact CD2-CG1 3.73Å; L259-V318 HydrophobicContact CD2-CG2 3.82Å; V261-V318 HydrophobicContact CG2-CG1 4.19Å; F295-V318 HydrophobicContact CE1-CG1 4.28Å; L314-V318 HydrophobicContact CD1-CG2 4.04Å; L314-V318 HydrophobicContact CG-CG2 4.48Å; L314-V318 WeakPolarHBondContact O-CB 3.4Å; L314-V318 VanDerWaalsContact O-CG2 3.3Å; L314-V318 WeakPolarHBondContact O-CG2 3.4Å; L314-V318 PolarHBondContact O-N 3.22Å; I315-V318 PolarHBondContact O-N 3.39Å; V318-R320 VanDerWaalsContact C-N 3.32Å; V318-R320 PolarHBondContact O-N 3.27Å; V318-E321 PolarHBondContact O-N 3.21Å; V318-L322 HydrophobicContact CG1-CD1 3.79Å; V318-L322 HydrophobicContact CG1-CG 4.2Å; V318-L322 WeakPolarHBondContact O-CB 3.46Å; V318-L322 VanDerWaalsContact O-CG 3.26Å; V318-L322 WeakPolarHBondContact O-CG 3.24Å; V318-L322 PolarHBondContact O-N 2.99Å
319	V	94	Very high	87.5	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-56.7	-46.8	171.7	166.3	0	0	0	0	110.8	F295 I315 E321 L322 Q323 F332 L469	F295-V319 HydrophobicContact CZ-CG2 3.91Å; I315-V319 HydrophobicContact CG2-CG2 4.23Å; I315-V319 WeakPolarHBondContact O-CB 3.04Å; I315-V319 WeakPolarHBondContact O-CG2 3.44Å; I315-V319 PolarHBondContact O-N 3.25Å; V319-E321 VanDerWaalsContact C-N 3.35Å; V319-E321 PolarHBondContact O-N 3.08Å; V319-L322 PolarHBondContact O-N 3.49Å; V319-Q323 HydrophobicContact CG1-CG 4.3Å; V319-Q323 WeakPolarHBondContact O-CB 3.44Å; V319-Q323 VanDerWaalsContact O-CG 3.3Å; V319-Q323 WeakPolarHBondContact O-CG 3.4Å; V319-Q323 PolarHBondContact O-N 3.35Å; V319-F332 HydrophobicContact CB-CD1 4.43Å; V319-F332 HydrophobicContact CB-CE1 4.33Å; V319-F332 HydrophobicContact CG1-CD1 4.27Å; V319-F332 HydrophobicContact CG1-CD2 4.41Å; V319-F332 HydrophobicContact CG1-CE1 3.98Å; V319-F332 HydrophobicContact CG1-CE2 4.15Å; V319-F332 HydrophobicContact CG1-CG 4.48Å; V319-F332 HydrophobicContact CG1-CZ 3.93Å; V319-F332 HydrophobicContact CG2-CD1 3.71Å; V319-F332 HydrophobicContact CG2-CE1 4.1Å; V319-F332 HydrophobicContact CG2-CG 4.07Å; V319-L469 HydrophobicContact CG1-CD1 3.88Å; V319-L469 HydrophobicContact CG1-CD2 3.69Å; V319-L469 HydrophobicContact CG1-CG 4.46Å; V319-L469 HydrophobicContact CG2-CD2 4.44Å
320	R	92.9	Very high	88.4	Confident	167 Å²	167	53.1 Å²	53.1	63%	0.63	27%	0.268	S	S	*	.	H	α-helix	trans	-62.9	-41.4	178.5	-69.3	175	-162.5	168.7	1.6	112.4	K316 R317 V318 Q323 S324	K316-R320 WeakPolarHBondContact O-CG 3.41Å; K316-R320 PolarHBondContact O-N 3.3Å; R317-R320 PolarHBondContact O-N 2.95Å; V318-R320 VanDerWaalsContact C-N 3.32Å; V318-R320 PolarHBondContact O-N 3.27Å; R320-Q323 PolarHBondContact O-N 3.06Å; R320-S324 WeakPolarHBondContact O-CB 3.38Å; R320-S324 PolarHBondContact O-N 2.65Å
321	E	95.1	Very high	89.5	Confident	94 Å²	94	54.9 Å²	54.9	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-48	175.8	-168.7	67.9	-169.2	0	0	110.7	Y244 R317 V318 V319 Q323 S324 E325	Y244-E321 HydrophobicContact CE1-CG 3.9Å; R317-E321 PolarHBondContact O-N 3.19Å; V318-E321 PolarHBondContact O-N 3.21Å; V319-E321 VanDerWaalsContact C-N 3.35Å; V319-E321 PolarHBondContact O-N 3.08Å; E321-Q323 PolarHBondContact O-N 3.45Å; E321-S324 WeakPolarHBondContact O-CB 3.28Å; E321-S324 PolarHBondContact O-N 3.04Å; E321-E325 PolarHBondContact O-N 2.97Å; E321-E325 VanDerWaalsContact O-N 3.1Å
322	L	95.3	Very high	91	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-37.6	177.8	-69.5	171	0	0	0	112.5	R242 Y244 V261 L263 A293 F295 V318 V319 E325 F326 M329 F332	R242-L322 HydrophobicContact CB-CD2 4.47Å; R242-L322 HydrophobicContact CG-CD2 4.07Å; Y244-L322 HydrophobicContact CE2-CD2 4.25Å; Y244-L322 HydrophobicContact CE2-CG 4.42Å; V261-L322 HydrophobicContact CG1-CD1 4.04Å; L263-L322 HydrophobicContact CD2-CD2 4.13Å; A293-L322 HydrophobicContact CB-CD1 3.86Å; F295-L322 HydrophobicContact CE1-CD1 4.48Å; V318-L322 HydrophobicContact CG1-CD1 3.79Å; V318-L322 HydrophobicContact CG1-CG 4.2Å; V318-L322 WeakPolarHBondContact O-CB 3.46Å; V318-L322 VanDerWaalsContact O-CG 3.26Å; V318-L322 WeakPolarHBondContact O-CG 3.24Å; V318-L322 PolarHBondContact O-N 2.99Å; V319-L322 PolarHBondContact O-N 3.49Å; L322-E325 PolarHBondContact O-N 3.45Å; L322-F326 WeakPolarHBondContact O-CA 3.47Å; L322-F326 WeakPolarHBondContact O-CB 3.3Å; L322-F326 PolarHBondContact O-N 2.96Å; L322-M329 HydrophobicContact CB-SD 4.06Å; L322-F332 HydrophobicContact CB-CE1 4.41Å; L322-F332 HydrophobicContact CD1-CE1 4.49Å
323	Q	94.1	Very high	92.5	Very high	72 Å²	72	53.4 Å²	53.4	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-70.1	-32.6	175.2	-74.3	-175.2	-54.6	0	0	112.7	V319 R320 E321 E325 F326 P327 F332	V319-Q323 HydrophobicContact CG1-CG 4.3Å; V319-Q323 WeakPolarHBondContact O-CB 3.44Å; V319-Q323 VanDerWaalsContact O-CG 3.3Å; V319-Q323 WeakPolarHBondContact O-CG 3.4Å; V319-Q323 PolarHBondContact O-N 3.35Å; R320-Q323 PolarHBondContact O-N 3.06Å; E321-Q323 PolarHBondContact O-N 3.45Å; Q323-E325 VanDerWaalsContact C-N 3.26Å; Q323-F326 CarbonylContact O-C 3.5Å; Q323-P327 WeakPolarHBondContact O-CA 3.47Å; Q323-F332 HydrophobicContact CG-CE2 4.3Å; Q323-F332 HydrophobicContact CG-CZ 3.69Å
324	S	94.1	Very high	93.4	Very high	98 Å²	98	48.2 Å²	48.2	69%	0.685	25%	0.245	S	C	*	.	H	α-helix	trans	-66.3	-33.5	174	-173.2	0	0	0	0	111.5	R320 E321	R320-S324 WeakPolarHBondContact O-CB 3.38Å; R320-S324 PolarHBondContact O-N 2.65Å; E321-S324 WeakPolarHBondContact O-CB 3.28Å; E321-S324 PolarHBondContact O-N 3.04Å
325	E	93.8	Very high	94	Very high	67 Å²	67	48.2 Å²	48.2	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-87.1	-35.7	180	-169.7	171.6	-167.6	0	0	113	R205 R242 E321 L322 Q323	R205-E325 IonicContact NH1-OE1 3.96Å; R205-E325 PolarHBondContact NH1-OE1 2.92Å; R242-E325 IonicContact CZ-OE1 2.64Å; R242-E325 IonicContact CZ-OE2 2.74Å; R242-E325 IonicContact NH1-OE1 2.8Å; R242-E325 PolarHBondContact NH1-OE1 3.09Å; R242-E325 IonicContact NH1-OE2 2.69Å; R242-E325 PolarHBondContact NH1-OE2 3.42Å; R242-E325 IonicContact NH2-OE1 3.71Å; R242-E325 PolarHBondContact NH2-OE1 3.29Å; R242-E325 IonicContact NH2-OE2 2.83Å; E321-E325 PolarHBondContact O-N 2.97Å; E321-E325 VanDerWaalsContact O-N 3.1Å; L322-E325 PolarHBondContact O-N 3.45Å; Q323-E325 VanDerWaalsContact C-N 3.26Å
326	F	93.8	Very high	94.4	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.026	25%	0.246	C	C	.	.			trans	-126.5	82.7	-179.5	-55.6	-78.1	0	0	0	110.2	L263 I287 I290 L322 Q323 H328 M329	L263-F326 HydrophobicContact CD1-CE2 3.73Å; L263-F326 HydrophobicContact CD1-CZ 3.76Å; I287-F326 HydrophobicContact CG1-CE1 4.42Å; I287-F326 HydrophobicContact CG2-CD1 4.17Å; I290-F326 HydrophobicContact CB-CD1 4.45Å; I290-F326 HydrophobicContact CD1-CD1 4.42Å; I290-F326 HydrophobicContact CD1-CE1 3.74Å; I290-F326 HydrophobicContact CD1-CZ 4.1Å; I290-F326 HydrophobicContact CG2-CD1 4.18Å; I290-F326 HydrophobicContact CG2-CE1 4.4Å; I290-F326 HydrophobicContact CG2-CG 4.3Å; L322-F326 WeakPolarHBondContact O-CA 3.47Å; L322-F326 WeakPolarHBondContact O-CB 3.3Å; L322-F326 PolarHBondContact O-N 2.96Å; Q323-F326 CarbonylContact O-C 3.5Å; F326-H328 PolarHBondContact O-N 3.4Å; F326-H328 VanDerWaalsContact O-N 3.12Å; F326-M329 HydrophobicContact CB-CB 4Å; F326-M329 HydrophobicContact CB-CE 3.9Å; F326-M329 HydrophobicContact CD2-CE 3.79Å; F326-M329 HydrophobicContact CG-CE 4Å; F326-M329 VanDerWaalsContact O-CB 3.26Å; F326-M329 WeakPolarHBondContact O-CB 3.24Å; F326-M329 PolarHBondContact O-N 3.2Å; F326-M329 VanDerWaalsContact O-N 3.07Å
327	P	90.8	Very high	94.7	Very high	96 Å²	96	46.2 Å²	46.2	62%	0.623	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.5	-174.3	-26.1	36	0	0	0	114.8	Q323 M329	Q323-P327 WeakPolarHBondContact O-CA 3.47Å; P327-M329 VanDerWaalsContact C-N 3.34Å
328	H	91.6	Very high	95	Very high	135 Å²	135	42.7 Å²	42.7	63%	0.625	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-11.3	-179.4	-36.8	-57.6	0	0	0	113.2	F326 A330	F326-H328 PolarHBondContact O-N 3.4Å; F326-H328 VanDerWaalsContact O-N 3.12Å; H328-A330 PolarHBondContact O-N 2.75Å
329	M	93.7	Very high	95.1	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.025	24%	0.24	C	C	.	.			trans	-68	117.7	-175.4	-176.2	-175.8	-72.9	0	0	111.2	L263 I290 N291 A293 L322 F326 P327 F332	L263-M329 HydrophobicContact CD2-CE 3.81Å; I290-M329 HydrophobicContact CG2-CE 3.5Å; N291-M329 WeakPolarHBondContact O-CG 3.38Å; A293-M329 HydrophobicContact CB-CE 4.24Å; A293-M329 HydrophobicContact CB-SD 3.61Å; L322-M329 HydrophobicContact CB-SD 4.06Å; F326-M329 HydrophobicContact CB-CB 4Å; F326-M329 HydrophobicContact CB-CE 3.9Å; F326-M329 HydrophobicContact CD2-CE 3.79Å; F326-M329 HydrophobicContact CG-CE 4Å; F326-M329 VanDerWaalsContact O-CB 3.26Å; F326-M329 WeakPolarHBondContact O-CB 3.24Å; F326-M329 PolarHBondContact O-N 3.2Å; F326-M329 VanDerWaalsContact O-N 3.07Å; P327-M329 VanDerWaalsContact C-N 3.34Å; M329-F332 HydrophobicContact CB-CZ 4.46Å; M329-F332 HydrophobicContact CG-CE1 4.1Å; M329-F332 HydrophobicContact CG-CE2 4.49Å; M329-F332 HydrophobicContact CG-CZ 3.81Å; M329-F332 HydrophobicContact SD-CD1 4.36Å; M329-F332 HydrophobicContact SD-CE1 3.44Å; M329-F332 WeakPolarHBondContact SD-CE1 3.45Å; M329-F332 HydrophobicContact SD-CZ 3.71Å
330	A	92.4	Very high	95.1	Very high	71 Å²	71	45.9 Å²	45.9	59%	0.587	25%	0.254	S	S	*	.			trans	-110.7	-21.5	-175.4	0	0	0	0	0	113.7	N291 H328	N291-A330 PolarHBondContact O-N 2.72Å; H328-A330 PolarHBondContact O-N 2.75Å
331	Q	96.6	Very high	95.2	Very high	42 Å²	42	38 Å²	38	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.4	-169.2	-55	-167.4	0.2	0	0	111.9	I267 N291 S292 A293	I267-Q331 HydrophobicContact CG1-CB 4.47Å; N291-Q331 PolarHBondContact O-N 2.87Å; N291-Q331 VanDerWaalsContact O-N 3.16Å; S292-Q331 CarbonylContact C-O 3.58Å; S292-Q331 WeakPolarHBondContact CA-O 3.38Å; S292-Q331 WeakPolarHBondContact OG-CB 3.43Å; S292-Q331 PolarHBondContact OG-OE1 2.96Å; S292-Q331 VanDerWaalsContact OG-OE1 3.06Å; A293-Q331 PolarHBondContact N-O 2.99Å
332	F	97.6	Very high	95.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.7	176.5	-59.4	-84.3	0	0	0	108.8	A293 F295 V319 L322 Q323 M329 Y467 L469	A293-F332 HydrophobicContact CB-CD1 3.79Å; A293-F332 HydrophobicContact CB-CE1 4.03Å; F295-F332 HydrophobicContact CE2-CB 4.19Å; F295-F332 HydrophobicContact CZ-CB 4.44Å; F295-F332 HydrophobicContact CZ-CD1 4.17Å; V319-F332 HydrophobicContact CB-CD1 4.43Å; V319-F332 HydrophobicContact CB-CE1 4.33Å; V319-F332 HydrophobicContact CG1-CD1 4.27Å; V319-F332 HydrophobicContact CG1-CD2 4.41Å; V319-F332 HydrophobicContact CG1-CE1 3.98Å; V319-F332 HydrophobicContact CG1-CE2 4.15Å; V319-F332 HydrophobicContact CG1-CG 4.48Å; V319-F332 HydrophobicContact CG1-CZ 3.93Å; V319-F332 HydrophobicContact CG2-CD1 3.71Å; V319-F332 HydrophobicContact CG2-CE1 4.1Å; V319-F332 HydrophobicContact CG2-CG 4.07Å; L322-F332 HydrophobicContact CB-CE1 4.41Å; L322-F332 HydrophobicContact CD1-CE1 4.49Å; Q323-F332 HydrophobicContact CG-CE2 4.3Å; Q323-F332 HydrophobicContact CG-CZ 3.69Å; M329-F332 HydrophobicContact CB-CZ 4.46Å; M329-F332 HydrophobicContact CG-CE1 4.1Å; M329-F332 HydrophobicContact CG-CE2 4.49Å; M329-F332 HydrophobicContact CG-CZ 3.81Å; M329-F332 HydrophobicContact SD-CD1 4.36Å; M329-F332 HydrophobicContact SD-CE1 3.44Å; M329-F332 WeakPolarHBondContact SD-CE1 3.45Å; M329-F332 HydrophobicContact SD-CZ 3.71Å; F332-Y467 PolarHBondContact O-N 3.07Å; F332-L469 HydrophobicContact CD2-CD1 4.1Å; F332-L469 HydrophobicContact CD2-CD2 4.01Å; F332-L469 HydrophobicContact CD2-CG 4.15Å; F332-L469 HydrophobicContact CE2-CD1 3.84Å; F332-L469 HydrophobicContact CE2-CG 4.4Å
333	S	98	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.5	179.1	-173.3	0	0	0	0	110.2	A293 I294 F295 Y465	A293-S333 PolarHBondContact O-N 2.87Å; I294-S333 CarbonylContact C-O 3.55Å; I294-S333 VanDerWaalsContact CA-O 3.23Å; I294-S333 WeakPolarHBondContact CA-O 3.46Å; F295-S333 WeakPolarHBondContact CD2-O 3.35Å; F295-S333 PolarHBondContact N-O 3Å; S333-Y465 CarbonylContact C-O 3.5Å; S333-Y465 WeakPolarHBondContact CA-O 3.36Å; S333-Y465 PolarHBondContact OG-O 3.28Å
334	S	97.6	Very high	95.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	165.2	161.4	75.2	0	0	0	0	111.2	F295 S336 N464 Y465	F295-S334 WeakPolarHBondContact O-CA 3.4Å; F295-S334 WeakPolarHBondContact O-CB 3.25Å; S334-S336 WeakPolarHBondContact CB-OG 3.33Å; S334-S336 PolarHBondContact OG-OG 3.3Å; S334-N464 VanDerWaalsContact O-CA 3.27Å; S334-N464 WeakPolarHBondContact O-CA 3.45Å; S334-N464 PolarHBondContact O-ND2 3.38Å; S334-Y465 PolarHBondContact N-O 3.36Å; S334-Y465 WeakPolarHBondContact OG-CB 3.33Å; S334-Y465 WeakPolarHBondContact OG-CD2 3.32Å; S334-Y465 PolarHBondContact OG-N 3.24Å
335	L	98	Very high	95	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.195	C	C	.	.			trans	-124.1	94.2	157.1	178.2	62.3	0	0	0	106.2	I271 I274 I294 F295 N445 M462	I271-L335 HydrophobicContact CB-CD2 4.19Å; I271-L335 HydrophobicContact CD1-CD2 4.32Å; I274-L335 HydrophobicContact CD1-CD2 4.01Å; I294-L335 HydrophobicContact CG2-CB 3.83Å; F295-L335 PolarHBondContact O-N 2.8Å; L335-N445 WeakPolarHBondContact CD1-ND2 3.47Å; L335-M462 HydrophobicContact CD1-CB 3.89Å; L335-M462 HydrophobicContact CD1-CE 4.42Å; L335-M462 HydrophobicContact CD1-SD 4.17Å; L335-M462 HydrophobicContact CD2-SD 4.34Å; L335-M462 HydrophobicContact CG-CE 3.85Å; L335-M462 HydrophobicContact CG-SD 3.96Å; L335-M462 VanDerWaalsContact O-CE 3.29Å; L335-M462 WeakPolarHBondContact O-CE 3.33Å
336	S	97.4	Very high	94.8	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.7	-164.1	-61.1	0	0	0	0	112.4	S334 H434 M462 V463	S334-S336 WeakPolarHBondContact CB-OG 3.33Å; S334-S336 PolarHBondContact OG-OG 3.3Å; S336-H434 PolarHBondContact OG-NE2 3.29Å; S336-M462 VanDerWaalsContact C-CE 3.49Å; S336-M462 WeakPolarHBondContact O-CA 3.33Å; S336-M462 WeakPolarHBondContact O-CB 3.36Å; S336-V463 PolarHBondContact N-O 2.77Å; S336-V463 PolarHBondContact O-N 3.36Å
337	P	96.9	Very high	94.7	Very high	29 Å²	29	31.9 Å²	31.9	19%	0.188	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	164.5	172.3	35.2	-40.4	0	0	0	111.2	V224 P339	V224-P337 HydrophobicContact CG1-CG 3.97Å; P337-P339 VanDerWaalsContact O-CD 3.27Å; P337-P339 WeakPolarHBondContact O-CD 3.43Å
338	I	97.5	Very high	94.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.177	C	C	.	.			trans	-120.6	66.3	179.5	-48.6	168.6	0	0	0	109.7	G340 F341 C413 Y416 L417 S458 I461 V463	I338-G340 PolarHBondContact O-N 3.26Å; I338-F341 HydrophobicContact CG2-CB 3.94Å; I338-F341 PolarHBondContact O-N 3.11Å; I338-C413 VanDerWaalsContact CD1-SG 3.51Å; I338-Y416 HydrophobicContact CG2-CD1 3.95Å; I338-Y416 HydrophobicContact CG2-CE1 3.66Å; I338-L417 HydrophobicContact CD1-CD1 4.04Å; I338-L417 HydrophobicContact CG2-CD2 3.74Å; I338-L417 HydrophobicContact CG2-CG 4.36Å; I338-S458 WeakPolarHBondContact O-CB 3.49Å; I338-I461 HydrophobicContact CD1-CB 4.3Å; I338-I461 HydrophobicContact CD1-CG2 3.8Å; I338-V463 HydrophobicContact CD1-CB 4.14Å; I338-V463 HydrophobicContact CD1-CG1 4.09Å; I338-V463 HydrophobicContact CG1-CB 4.37Å; I338-V463 HydrophobicContact CG1-CG1 3.77Å
339	P	94.9	Very high	94.2	Very high	42 Å²	42	21.6 Å²	21.6	27%	0.273	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	134.6	-175.6	27.2	-35.1	0	0	0	111.1	P337 Y416 N428 P429 V430	P337-P339 VanDerWaalsContact O-CD 3.27Å; P337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-Y416 PolarHBondContact O-OH 3.42Å; P339-N428 PolarHBondContact O-ND2 3.01Å; P339-P429 HydrophobicContact CG-CG 4.47Å; P339-V430 HydrophobicContact CG-CG2 3.7Å
340	G	94.1	Very high	93.8	Very high	33 Å²	33	23.2 Å²	23.2	34%	0.34	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-5.2	177.4	0	0	0	0	0	115.2	I338 S343 W344	I338-G340 PolarHBondContact O-N 3.26Å; G340-S343 PolarHBondContact O-N 3.17Å; G340-W344 WeakPolarHBondContact O-CB 3.28Å; G340-W344 PolarHBondContact O-N 3.1Å
341	F	96.6	Very high	93.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-49.7	175.8	173.4	-115.7	0	0	0	112.1	I338 S343 W344 L345 L412 C413 Y416 N457 I461	I338-F341 HydrophobicContact CG2-CB 3.94Å; I338-F341 PolarHBondContact O-N 3.11Å; F341-S343 VanDerWaalsContact C-N 3.32Å; F341-S343 PolarHBondContact O-N 3.27Å; F341-W344 AromaticContact CD2-CE3 3.87Å; F341-W344 HydrophobicContact CD2-CE3 3.87Å; F341-W344 HydrophobicContact CD2-CZ3 4.11Å; F341-W344 AromaticContact CE2-CE3 3.87Å; F341-W344 HydrophobicContact CE2-CE3 3.87Å; F341-W344 AromaticContact CE2-CZ3 3.66Å; F341-W344 HydrophobicContact CE2-CZ3 3.66Å; F341-W344 PolarHBondContact O-N 2.67Å; F341-L345 HydrophobicContact CE1-CD2 4.49Å; F341-L345 HydrophobicContact CZ-CD2 4.33Å; F341-L345 WeakPolarHBondContact O-CB 3.39Å; F341-L345 PolarHBondContact O-N 3.13Å; F341-L412 HydrophobicContact CE2-CB 4.37Å; F341-L412 HydrophobicContact CZ-CB 4.25Å; F341-C413 HydrophobicContact CD2-CB 4.46Å; F341-C413 HydrophobicContact CE1-CB 4.25Å; F341-C413 VanDerWaalsContact CE2-CA 3.45Å; F341-C413 HydrophobicContact CE2-CB 3.87Å; F341-C413 HydrophobicContact CZ-CB 3.75Å; F341-Y416 HydrophobicContact CB-CD1 4.05Å; F341-Y416 HydrophobicContact CB-CE1 3.96Å; F341-Y416 AromaticContact CD2-CD1 3.72Å; F341-Y416 HydrophobicContact CD2-CD1 3.72Å; F341-Y416 HydrophobicContact CD2-CD2 4.49Å; F341-Y416 HydrophobicContact CD2-CE1 4.43Å; F341-Y416 AromaticContact CD2-CG 3.75Å; F341-Y416 HydrophobicContact CD2-CG 3.75Å; F341-Y416 HydrophobicContact CE2-CG 4.47Å; F341-Y416 HydrophobicContact CG-CD1 4.33Å; F341-N457 PolarHBondContact N-O 3.2Å; F341-I461 HydrophobicContact CE1-CD1 4.21Å
342	C	94.2	Very high	92.1	Very high	10 Å²	10	24.2 Å²	24.2	7%	0.068	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-42.7	177.5	-72.4	0	0	0	0	111.8	W344 L345 Q346 V455 A456 N457 S458 C459	C342-W344 PolarHBondContact O-N 3.38Å; C342-L345 PolarHBondContact O-N 3.19Å; C342-Q346 WeakPolarHBondContact O-CB 3.49Å; C342-Q346 WeakPolarHBondContact O-CG 3.49Å; C342-Q346 PolarHBondContact O-N 3.44Å; C342-V455 PolarHBondContact SG-O 3.09Å; C342-A456 WeakPolarHBondContact CB-O 3.29Å; C342-A456 PolarHBondContact SG-O 3.47Å; C342-A456 VanDerWaalsContact SG-O 3.36Å; C342-N457 PolarHBondContact N-O 3.1Å; C342-S458 PolarHBondContact SG-N 3.38Å; C342-S458 VanDerWaalsContact SG-N 3.44Å; C342-C459 PolarHBondContact SG-N 2.9Å; C342-C459 PolarHBondContact SG-SG 3.22Å
343	S	93.1	Very high	90.9	Very high	91 Å²	91	31.2 Å²	31.2	64%	0.636	18%	0.178	S	C	*	.	H	α-helix	trans	-63.7	-40.6	178.2	176.6	0	0	0	0	112.2	G340 F341 G347	G340-S343 PolarHBondContact O-N 3.17Å; F341-S343 VanDerWaalsContact C-N 3.32Å; F341-S343 PolarHBondContact O-N 3.27Å; S343-G347 PolarHBondContact O-N 3.05Å
344	W	94.4	Very high	89.5	Confident	33 Å²	33	40.1 Å²	40.1	13%	0.125	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-47.6	173.8	168.9	85.1	0	0	0	111.4	G340 F341 C342 Q346 G347 L348 L412 Y416 E420	G340-W344 WeakPolarHBondContact O-CB 3.28Å; G340-W344 PolarHBondContact O-N 3.1Å; F341-W344 AromaticContact CD2-CE3 3.87Å; F341-W344 HydrophobicContact CD2-CE3 3.87Å; F341-W344 HydrophobicContact CD2-CZ3 4.11Å; F341-W344 AromaticContact CE2-CE3 3.87Å; F341-W344 HydrophobicContact CE2-CE3 3.87Å; F341-W344 AromaticContact CE2-CZ3 3.66Å; F341-W344 HydrophobicContact CE2-CZ3 3.66Å; F341-W344 PolarHBondContact O-N 2.67Å; C342-W344 PolarHBondContact O-N 3.38Å; W344-Q346 PolarHBondContact O-N 2.9Å; W344-G347 WeakPolarHBondContact O-CA 3.47Å; W344-G347 PolarHBondContact O-N 3.21Å; W344-G347 VanDerWaalsContact O-N 3.12Å; W344-L348 HydrophobicContact CD2-CD1 3.9Å; W344-L348 HydrophobicContact CD2-CG 4.45Å; W344-L348 VanDerWaalsContact CE2-CD1 3.41Å; W344-L348 HydrophobicContact CE3-CD1 4.11Å; W344-L348 HydrophobicContact CH2-CD1 3.48Å; W344-L348 VanDerWaalsContact CH2-CD1 3.48Å; W344-L348 HydrophobicContact CZ2-CD1 3.24Å; W344-L348 HydrophobicContact CZ2-CG 4.36Å; W344-L348 HydrophobicContact CZ3-CD1 3.9Å; W344-L348 PolarHBondContact O-N 3.47Å; W344-L412 HydrophobicContact CZ3-CB 4.41Å; W344-Y416 HydrophobicContact CB-CD2 3.99Å; W344-Y416 HydrophobicContact CB-CE2 3.7Å; W344-Y416 AromaticContact CD1-CD2 3.92Å; W344-Y416 AromaticContact CD2-CD2 3.43Å; W344-Y416 HydrophobicContact CD2-CD2 3.43Å; W344-Y416 VanDerWaalsContact CD2-CD2 3.43Å; W344-Y416 HydrophobicContact CD2-CE2 4.1Å; W344-Y416 HydrophobicContact CD2-CG 4.2Å; W344-Y416 AromaticContact CE2-CD2 3.78Å; W344-Y416 AromaticContact CE3-CD2 3.83Å; W344-Y416 HydrophobicContact CE3-CD2 3.83Å; W344-Y416 HydrophobicContact CE3-CG 4.15Å; W344-Y416 AromaticContact CG-CD2 3.51Å; W344-Y416 HydrophobicContact CG-CD2 3.51Å; W344-Y416 AromaticContact CG-CE2 3.67Å; W344-Y416 HydrophobicContact CG-CE2 3.67Å; W344-Y416 HydrophobicContact CZ2-CD2 4.4Å; W344-Y416 HydrophobicContact CZ3-CD2 4.49Å; W344-E420 HydrophobicContact CZ2-CG 3.8Å
345	L	91.9	Very high	88.1	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-42.8	179.4	-178.2	55.3	0	0	0	112	F341 C342 G347 L348 L349 L361 I390 L409 L412	F341-L345 HydrophobicContact CE1-CD2 4.49Å; F341-L345 HydrophobicContact CZ-CD2 4.33Å; F341-L345 WeakPolarHBondContact O-CB 3.39Å; F341-L345 PolarHBondContact O-N 3.13Å; C342-L345 PolarHBondContact O-N 3.19Å; L345-G347 VanDerWaalsContact C-N 3.3Å; L345-G347 PolarHBondContact O-N 3.32Å; L345-L348 PolarHBondContact O-N 2.9Å; L345-L349 HydrophobicContact CD1-CD1 4.4Å; L345-L349 HydrophobicContact CD1-CG 4.37Å; L345-L349 HydrophobicContact CG-CD1 4.21Å; L345-L349 WeakPolarHBondContact O-CB 3.45Å; L345-L349 VanDerWaalsContact O-CG 3.29Å; L345-L349 WeakPolarHBondContact O-CG 3.44Å; L345-L349 PolarHBondContact O-N 3.32Å; L345-L361 HydrophobicContact CD1-CD2 4.49Å; L345-I390 HydrophobicContact CD2-CD1 3.66Å; L345-I390 HydrophobicContact CD2-CG2 4.39Å; L345-I390 HydrophobicContact CG-CD1 4.18Å; L345-L409 HydrophobicContact CD2-CD2 3.58Å; L345-L412 HydrophobicContact CD1-CD1 3.81Å
346	Q	90.7	Very high	86.2	Confident	40 Å²	40	49.6 Å²	49.6	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-61.4	-38.8	173.8	-71.2	-73.3	-32.2	0	0	112.2	C342 W344 S350 R387	C342-Q346 WeakPolarHBondContact O-CB 3.49Å; C342-Q346 WeakPolarHBondContact O-CG 3.49Å; C342-Q346 PolarHBondContact O-N 3.44Å; W344-Q346 PolarHBondContact O-N 2.9Å; Q346-S350 WeakPolarHBondContact O-CB 3.17Å; Q346-S350 PolarHBondContact O-N 3.13Å; Q346-S350 PolarHBondContact O-OG 2.85Å; Q346-R387 PolarHBondContact NE2-O 3.39Å
347	G	89.9	Confident	84.4	Confident	33 Å²	33	56.5 Å²	56.5	34%	0.34	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-48.7	174.2	0	0	0	0	0	112.1	S343 W344 L345 S350 Q351	S343-G347 PolarHBondContact O-N 3.05Å; W344-G347 WeakPolarHBondContact O-CA 3.47Å; W344-G347 PolarHBondContact O-N 3.21Å; W344-G347 VanDerWaalsContact O-N 3.12Å; L345-G347 VanDerWaalsContact C-N 3.3Å; L345-G347 PolarHBondContact O-N 3.32Å; G347-S350 PolarHBondContact O-N 2.97Å; G347-Q351 WeakPolarHBondContact O-CG 3.22Å; G347-Q351 PolarHBondContact O-N 3.41Å
348	L	87.3	Confident	82.3	Confident	12 Å²	12	56 Å²	56	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-53.5	175.4	-72.9	-179.6	0	0	0	111.5	W344 L345 S350 Q351 Y352 L361 L504	W344-L348 HydrophobicContact CD2-CD1 3.9Å; W344-L348 HydrophobicContact CD2-CG 4.45Å; W344-L348 VanDerWaalsContact CE2-CD1 3.41Å; W344-L348 HydrophobicContact CE3-CD1 4.11Å; W344-L348 HydrophobicContact CH2-CD1 3.48Å; W344-L348 VanDerWaalsContact CH2-CD1 3.48Å; W344-L348 HydrophobicContact CZ2-CD1 3.24Å; W344-L348 HydrophobicContact CZ2-CG 4.36Å; W344-L348 HydrophobicContact CZ3-CD1 3.9Å; W344-L348 PolarHBondContact O-N 3.47Å; L345-L348 PolarHBondContact O-N 2.9Å; L348-S350 PolarHBondContact O-N 3.3Å; L348-S350 VanDerWaalsContact O-N 3.11Å; L348-Q351 WeakPolarHBondContact O-CB 3.37Å; L348-Q351 PolarHBondContact O-N 3.05Å; L348-Y352 HydrophobicContact CB-CD2 4.42Å; L348-Y352 HydrophobicContact CB-CE2 4.44Å; L348-Y352 HydrophobicContact CD2-CE2 4.36Å; L348-Y352 WeakPolarHBondContact O-CD2 3.41Å; L348-Y352 PolarHBondContact O-N 3.29Å; L348-L361 HydrophobicContact CD1-CD1 4.35Å; L348-L504 HydrophobicContact CD1-CD1 3.98Å; L348-L504 HydrophobicContact CD2-CD1 4.48Å; L348-L504 HydrophobicContact CD2-CD2 3.95Å
349	L	85.6	Confident	80.2	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-55.4	-34.2	178.5	-69.1	170.1	0	0	0	112.1	L345 R353 L361 V383 L386 R387 I390	L345-L349 HydrophobicContact CD1-CD1 4.4Å; L345-L349 HydrophobicContact CD1-CG 4.37Å; L345-L349 HydrophobicContact CG-CD1 4.21Å; L345-L349 WeakPolarHBondContact O-CB 3.45Å; L345-L349 VanDerWaalsContact O-CG 3.29Å; L345-L349 WeakPolarHBondContact O-CG 3.44Å; L345-L349 PolarHBondContact O-N 3.32Å; L349-R353 PolarHBondContact O-N 3.19Å; L349-R353 VanDerWaalsContact O-N 3.17Å; L349-L361 HydrophobicContact CD2-CD2 3.79Å; L349-L361 HydrophobicContact CG-CD2 4.49Å; L349-V383 HydrophobicContact CD2-CG1 4.21Å; L349-L386 HydrophobicContact CD2-CD2 4.33Å; L349-R387 HydrophobicContact CB-CB 4.49Å; L349-R387 HydrophobicContact CB-CG 4.39Å; L349-R387 HydrophobicContact CD1-CB 4.08Å; L349-R387 HydrophobicContact CD1-CG 4.34Å; L349-I390 HydrophobicContact CD1-CD1 3.9Å
350	S	84.8	Confident	78.8	Confident	39 Å²	39	60.1 Å²	60.1	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-74.7	-32.3	177	-60.2	0	0	0	0	113.7	Q346 G347 L348	Q346-S350 WeakPolarHBondContact O-CB 3.17Å; Q346-S350 PolarHBondContact O-N 3.13Å; Q346-S350 PolarHBondContact O-OG 2.85Å; G347-S350 PolarHBondContact O-N 2.97Å; L348-S350 PolarHBondContact O-N 3.3Å; L348-S350 VanDerWaalsContact O-N 3.11Å
351	Q	80.3	Confident	77.8	Confident	112 Å²	112	58.7 Å²	58.7	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-69.7	-49	173.5	-74	174.6	-17	0	0	110.8	G347 L348 R353 K354 E355	G347-Q351 WeakPolarHBondContact O-CG 3.22Å; G347-Q351 PolarHBondContact O-N 3.41Å; L348-Q351 WeakPolarHBondContact O-CB 3.37Å; L348-Q351 PolarHBondContact O-N 3.05Å; Q351-R353 VanDerWaalsContact C-N 3.25Å; Q351-R353 PolarHBondContact O-N 2.48Å; Q351-K354 WeakPolarHBondContact O-CB 3.35Å; Q351-K354 PolarHBondContact O-N 3.47Å; Q351-E355 PolarHBondContact O-N 2.89Å
352	Y	74.3	Confident	77	Confident	22 Å²	22	58.8 Å²	58.8	9%	0.086	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-30.4	179.2	-77.2	-73.9	0	0	0	113.4	L348 K354 E355 G356 R357 D360 L361 L504	L348-Y352 HydrophobicContact CB-CD2 4.42Å; L348-Y352 HydrophobicContact CB-CE2 4.44Å; L348-Y352 HydrophobicContact CD2-CE2 4.36Å; L348-Y352 WeakPolarHBondContact O-CD2 3.41Å; L348-Y352 PolarHBondContact O-N 3.29Å; Y352-K354 VanDerWaalsContact C-N 3.29Å; Y352-K354 PolarHBondContact O-N 3.16Å; Y352-E355 PolarHBondContact O-N 3.4Å; Y352-G356 PolarHBondContact O-N 2.93Å; Y352-R357 HydrophobicContact CD1-CB 4.1Å; Y352-R357 WeakPolarHBondContact CD1-O 3.49Å; Y352-R357 HydrophobicContact CE1-CB 4.46Å; Y352-D360 HydrophobicContact CE1-CB 4.14Å; Y352-L361 HydrophobicContact CE2-CB 4.4Å; Y352-L361 HydrophobicContact CE2-CD1 4.43Å; Y352-L504 HydrophobicContact CE2-CD2 4.4Å; Y352-L504 VanDerWaalsContact OH-CD2 3.31Å; Y352-L504 WeakPolarHBondContact OH-CD2 3.44Å; Y352-L504 WeakPolarHBondContact OH-CG 3.39Å
353	R	71.5	Confident	76.3	Confident	149 Å²	149	59.7 Å²	59.7	56%	0.562	33%	0.326	S	S	*	.	H	α-helix	trans	-57.5	-40.2	169.6	-178.1	-179.2	-177.8	-153.2	3.8	112.5	L349 Q351 D384	L349-R353 PolarHBondContact O-N 3.19Å; L349-R353 VanDerWaalsContact O-N 3.17Å; Q351-R353 VanDerWaalsContact C-N 3.25Å; Q351-R353 PolarHBondContact O-N 2.48Å; R353-D384 IonicContact NE-OD1 2.68Å; R353-D384 IonicContact NE-OD2 3.06Å
354	K	69.2	Low	75.8	Confident	187 Å²	187	61.8 Å²	61.8	81%	0.813	33%	0.326	S	S	*	.	H	α-helix	trans	-75.5	-31.6	-178.2	-67.2	-179.5	179.8	-177.9	0	112.3	Q351 Y352	Q351-K354 WeakPolarHBondContact O-CB 3.35Å; Q351-K354 PolarHBondContact O-N 3.47Å; Y352-K354 VanDerWaalsContact C-N 3.29Å; Y352-K354 PolarHBondContact O-N 3.16Å
355	E	66.7	Low	75.2	Confident	127 Å²	127	66.5 Å²	66.5	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-93.2	-8.9	-174.6	-65.2	178.2	-175	0	0	113.5	Q351 Y352 R357	Q351-E355 PolarHBondContact O-N 2.89Å; Y352-E355 PolarHBondContact O-N 3.4Å; E355-R357 PolarHBondContact O-N 3.49Å
356	G	59.6	Low	74.8	Confident	71 Å²	71	67.3 Å²	67.3	73%	0.732	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	10.5	179.1	0	0	0	0	0	114.4	Y352	Y352-G356 PolarHBondContact O-N 2.93Å
357	R	58.3	Low	74.5	Confident	152 Å²	152	66.5 Å²	66.5	57%	0.574	35%	0.348	S	S	*	.			trans	-103.4	42.6	-174.8	-64.3	-172.4	-178.1	-173.2	2.2	113.8	Y352 E355 A359 D360	Y352-R357 HydrophobicContact CD1-CB 4.1Å; Y352-R357 WeakPolarHBondContact CD1-O 3.49Å; Y352-R357 HydrophobicContact CE1-CB 4.46Å; E355-R357 PolarHBondContact O-N 3.49Å; R357-A359 PolarHBondContact O-N 2.82Å; R357-D360 PolarHBondContact O-N 2.8Å
358	G	52.9	Low	74.2	Confident	19 Å²	19	71.9 Å²	71.9	20%	0.196	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-55.3	-19.8	177.5	0	0	0	0	0	114.4	D360 W367	G358-D360 VanDerWaalsContact C-N 3.34Å; G358-D360 PolarHBondContact O-N 2.68Å; G358-W367 PolarHBondContact O-NE1 3.3Å
359	A	53.1	Low	74.1	Confident	69 Å²	69	75 Å²	75	57%	0.57	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-73.9	-10.7	-179.4	0	0	0	0	0	115.7	R357 L362	R357-A359 PolarHBondContact O-N 2.82Å; A359-L362 VanDerWaalsContact O-O 3.09Å
360	D	66	Low	73.9	Confident	58 Å²	58	75 Å²	75	31%	0.31	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-94	-14.7	-177.2	-71	-26.8	0	0	0	113.9	Y352 R357 G358 S502	Y352-D360 HydrophobicContact CE1-CB 4.14Å; R357-D360 PolarHBondContact O-N 2.8Å; G358-D360 VanDerWaalsContact C-N 3.34Å; G358-D360 PolarHBondContact O-N 2.68Å; D360-S502 WeakPolarHBondContact O-CA 3.41Å; D360-S502 WeakPolarHBondContact O-CB 3.48Å; D360-S502 PolarHBondContact O-OG 3.26Å
361	L	74.3	Confident	73.8	Confident	4 Å²	4	77.3 Å²	77.3	2%	0.021	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-38.2	-179.7	-175.1	69.2	0	0	0	112.7	L345 L348 L349 Y352 R411 L412 S502 L504	L345-L361 HydrophobicContact CD1-CD2 4.49Å; L348-L361 HydrophobicContact CD1-CD1 4.35Å; L349-L361 HydrophobicContact CD2-CD2 3.79Å; L349-L361 HydrophobicContact CG-CD2 4.49Å; Y352-L361 HydrophobicContact CE2-CB 4.4Å; Y352-L361 HydrophobicContact CE2-CD1 4.43Å; L361-R411 PolarHBondContact O-NH2 3.23Å; L361-R411 VanDerWaalsContact O-NH2 3.09Å; L361-L412 HydrophobicContact CD1-CD2 3.71Å; L361-L412 HydrophobicContact CG-CD2 4.26Å; L361-S502 PolarHBondContact O-OG 3.23Å; L361-L504 HydrophobicContact CD1-CD1 4.24Å
362	L	78.1	Confident	74	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.01	39%	0.385	C	S	.	.	S	Bend	trans	-122.8	139.4	177.5	-68.3	173.7	0	0	0	108	A359 E366 W367 L386 V408	A359-L362 VanDerWaalsContact O-O 3.09Å; L362-E366 WeakPolarHBondContact CA-OE2 3.5Å; L362-E366 HydrophobicContact CB-CB 4.14Å; L362-E366 HydrophobicContact CD2-CB 4.1Å; L362-W367 HydrophobicContact CB-CD2 4.23Å; L362-W367 HydrophobicContact CB-CG 4.11Å; L362-W367 HydrophobicContact CB-CZ2 4.45Å; L362-W367 HydrophobicContact CD1-CD2 3.87Å; L362-W367 HydrophobicContact CD1-CE3 4.06Å; L362-W367 HydrophobicContact CD1-CG 4.5Å; L362-W367 HydrophobicContact CD1-CH2 3.83Å; L362-W367 HydrophobicContact CD1-CZ2 3.68Å; L362-W367 HydrophobicContact CD1-CZ3 4.04Å; L362-W367 HydrophobicContact CG-CZ2 4.41Å; L362-L386 HydrophobicContact CD1-CD2 4.01Å; L362-V408 HydrophobicContact CD2-CB 4.09Å; L362-V408 HydrophobicContact CD2-CG1 3.3Å; L362-V408 HydrophobicContact CD2-CG2 3.7Å
363	S	81.3	Confident	74.4	Confident	29 Å²	29	78.1 Å²	78.1	20%	0.203	39%	0.386	C	S	.	.			trans	-63.1	158.3	170.9	69.1	0	0	0	0	110.6	Q365 E366 W367	S363-Q365 PolarHBondContact O-N 3.47Å; S363-Q365 VanDerWaalsContact O-N 3.16Å; S363-E366 PolarHBondContact N-OE2 2.9Å; S363-E366 PolarHBondContact O-N 3.44Å; S363-E366 VanDerWaalsContact O-N 3.12Å; S363-E366 VanDerWaalsContact OG-CG 3.27Å; S363-E366 WeakPolarHBondContact OG-CG 3.48Å; S363-E366 PolarHBondContact OG-N 3.05Å; S363-E366 PolarHBondContact OG-OE2 3.39Å; S363-W367 PolarHBondContact O-N 3.34Å
364	E	80.8	Confident	74.7	Confident	135 Å²	135	73.4 Å²	73.4	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-55.5	-34.9	175.9	-68.3	-169.6	-175.9	0	0	112.6	R368	E364-R368 VanDerWaalsContact O-CG 3.29Å; E364-R368 WeakPolarHBondContact O-CG 3.35Å; E364-R368 PolarHBondContact O-N 3.31Å; E364-R368 IonicContact OE2-NH2 3.09Å; E364-R368 PolarHBondContact OE2-NH2 3.42Å; E364-R368 VanDerWaalsContact OE2-NH2 3.09Å
365	Q	82.8	Confident	74.7	Confident	131 Å²	131	66.6 Å²	66.6	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-68.8	-45.5	178	-178.2	171	-7	0	0	111.6	S363 W367 R368 E369	S363-Q365 PolarHBondContact O-N 3.47Å; S363-Q365 VanDerWaalsContact O-N 3.16Å; Q365-W367 VanDerWaalsContact C-N 3.28Å; Q365-W367 PolarHBondContact O-N 2.86Å; Q365-R368 PolarHBondContact O-N 2.95Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.43Å; Q365-E369 PolarHBondContact NE2-OE1 3.08Å; Q365-E369 VanDerWaalsContact NE2-OE1 3.09Å; Q365-E369 WeakPolarHBondContact O-CG 3.46Å; Q365-E369 PolarHBondContact O-N 3.36Å
366	E	84.3	Confident	74.1	Confident	20 Å²	20	66.7 Å²	66.7	9%	0.093	37%	0.369	C	S	.	.	H	α-helix	trans	-61.1	-39.5	176.2	-72	168.1	142.5	0	0	110.9	L362 S363 E369 V370 V408 R411	L362-E366 WeakPolarHBondContact CA-OE2 3.5Å; L362-E366 HydrophobicContact CB-CB 4.14Å; L362-E366 HydrophobicContact CD2-CB 4.1Å; S363-E366 PolarHBondContact N-OE2 2.9Å; S363-E366 PolarHBondContact O-N 3.44Å; S363-E366 VanDerWaalsContact O-N 3.12Å; S363-E366 VanDerWaalsContact OG-CG 3.27Å; S363-E366 WeakPolarHBondContact OG-CG 3.48Å; S363-E366 PolarHBondContact OG-N 3.05Å; S363-E366 PolarHBondContact OG-OE2 3.39Å; E366-E369 PolarHBondContact O-N 3.06Å; E366-V370 WeakPolarHBondContact O-CB 3.42Å; E366-V370 VanDerWaalsContact O-CG2 3.25Å; E366-V370 WeakPolarHBondContact O-CG2 3.31Å; E366-V370 PolarHBondContact O-N 2.69Å; E366-V408 HydrophobicContact CB-CG2 4.02Å; E366-V408 HydrophobicContact CG-CG2 3.92Å; E366-R411 VanDerWaalsContact CD-NH2 3.26Å; E366-R411 IonicContact OE1-CZ 2.88Å; E366-R411 IonicContact OE1-NE 2.88Å; E366-R411 PolarHBondContact OE1-NE 3.18Å; E366-R411 IonicContact OE1-NH2 3.69Å; E366-R411 PolarHBondContact OE1-NH2 3.41Å; E366-R411 IonicContact OE2-CZ 3.53Å; E366-R411 IonicContact OE2-NE 3.95Å; E366-R411 IonicContact OE2-NH2 3.83Å; E366-R411 PolarHBondContact OE2-NH2 3.37Å
367	W	83.5	Confident	74.1	Confident	24 Å²	24	69.9 Å²	69.9	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-47	173.7	-89	123.9	0	0	0	112.5	G358 L362 S363 Q365 E369 V370 E371 P382 V383 L386	G358-W367 PolarHBondContact O-NE1 3.3Å; L362-W367 HydrophobicContact CB-CD2 4.23Å; L362-W367 HydrophobicContact CB-CG 4.11Å; L362-W367 HydrophobicContact CB-CZ2 4.45Å; L362-W367 HydrophobicContact CD1-CD2 3.87Å; L362-W367 HydrophobicContact CD1-CE3 4.06Å; L362-W367 HydrophobicContact CD1-CG 4.5Å; L362-W367 HydrophobicContact CD1-CH2 3.83Å; L362-W367 HydrophobicContact CD1-CZ2 3.68Å; L362-W367 HydrophobicContact CD1-CZ3 4.04Å; L362-W367 HydrophobicContact CG-CZ2 4.41Å; S363-W367 PolarHBondContact O-N 3.34Å; Q365-W367 VanDerWaalsContact C-N 3.28Å; Q365-W367 PolarHBondContact O-N 2.86Å; W367-E369 VanDerWaalsContact C-N 3.33Å; W367-E369 PolarHBondContact O-N 2.95Å; W367-V370 PolarHBondContact O-N 2.98Å; W367-E371 WeakPolarHBondContact O-CB 3.43Å; W367-E371 VanDerWaalsContact O-CG 3.28Å; W367-E371 WeakPolarHBondContact O-CG 3.31Å; W367-E371 PolarHBondContact O-N 3.13Å; W367-P382 HydrophobicContact CE3-CB 4.05Å; W367-P382 HydrophobicContact CZ3-CB 3.84Å; W367-V383 HydrophobicContact CH2-CB 4.2Å; W367-V383 HydrophobicContact CH2-CG2 3.5Å; W367-V383 HydrophobicContact CZ2-CG2 3.61Å; W367-V383 HydrophobicContact CZ3-CG2 4.42Å; W367-L386 HydrophobicContact CH2-CD2 3.92Å; W367-L386 HydrophobicContact CZ3-CD2 4.14Å
368	R	83.5	Confident	73.7	Confident	146 Å²	146	68 Å²	68	55%	0.551	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-42.2	177.5	-71.9	175	-154.8	-178.3	8.9	111.9	E364 Q365 E371 Q372	E364-R368 VanDerWaalsContact O-CG 3.29Å; E364-R368 WeakPolarHBondContact O-CG 3.35Å; E364-R368 PolarHBondContact O-N 3.31Å; E364-R368 IonicContact OE2-NH2 3.09Å; E364-R368 PolarHBondContact OE2-NH2 3.42Å; E364-R368 VanDerWaalsContact OE2-NH2 3.09Å; Q365-R368 PolarHBondContact O-N 2.95Å; R368-E371 PolarHBondContact O-N 3.5Å; R368-Q372 WeakPolarHBondContact O-CB 3.34Å; R368-Q372 VanDerWaalsContact O-CG 3.24Å; R368-Q372 WeakPolarHBondContact O-CG 3.01Å; R368-Q372 PolarHBondContact O-N 2.82Å
369	E	84.4	Confident	74.1	Confident	77 Å²	77	70.8 Å²	70.8	36%	0.36	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-43	178.4	-72.6	173.5	-164.8	0	0	111.6	Q365 E366 W367 Q372 A373	Q365-E369 WeakPolarHBondContact CG-OE1 3.43Å; Q365-E369 PolarHBondContact NE2-OE1 3.08Å; Q365-E369 VanDerWaalsContact NE2-OE1 3.09Å; Q365-E369 WeakPolarHBondContact O-CG 3.46Å; Q365-E369 PolarHBondContact O-N 3.36Å; E366-E369 PolarHBondContact O-N 3.06Å; W367-E369 VanDerWaalsContact C-N 3.33Å; W367-E369 PolarHBondContact O-N 2.95Å; E369-Q372 PolarHBondContact O-N 3.26Å; E369-A373 WeakPolarHBondContact O-CB 3.42Å; E369-A373 PolarHBondContact O-N 3.12Å
370	V	82.6	Confident	74.8	Confident	3 Å²	3	71 Å²	71	2%	0.018	41%	0.409	C	S	.	.	H	α-helix	trans	-64.8	-44.3	176	171.4	0	0	0	0	111.2	E366 W367 A373 L374 L386 L405	E366-V370 WeakPolarHBondContact O-CB 3.42Å; E366-V370 VanDerWaalsContact O-CG2 3.25Å; E366-V370 WeakPolarHBondContact O-CG2 3.31Å; E366-V370 PolarHBondContact O-N 2.69Å; W367-V370 PolarHBondContact O-N 2.98Å; V370-A373 PolarHBondContact O-N 2.97Å; V370-L374 HydrophobicContact CG1-CD1 3.78Å; V370-L374 HydrophobicContact CG1-CG 4.27Å; V370-L374 WeakPolarHBondContact O-CB 3.34Å; V370-L374 VanDerWaalsContact O-CG 3.23Å; V370-L374 WeakPolarHBondContact O-CG 3.48Å; V370-L374 PolarHBondContact O-N 2.71Å; V370-L386 HydrophobicContact CG1-CD1 4.41Å; V370-L405 HydrophobicContact CG2-CD2 4.11Å
371	E	83.4	Confident	75.3	Confident	87 Å²	87	71.4 Å²	71.4	41%	0.407	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-44.1	176.9	-75.1	173.3	-175.4	0	0	112.4	W367 R368 A373 L374 G375 P382	W367-E371 WeakPolarHBondContact O-CB 3.43Å; W367-E371 VanDerWaalsContact O-CG 3.28Å; W367-E371 WeakPolarHBondContact O-CG 3.31Å; W367-E371 PolarHBondContact O-N 3.13Å; R368-E371 PolarHBondContact O-N 3.5Å; E371-A373 PolarHBondContact O-N 3.26Å; E371-L374 PolarHBondContact O-N 2.89Å; E371-G375 PolarHBondContact O-N 3.49Å; E371-G375 VanDerWaalsContact O-N 3.15Å; E371-P382 HydrophobicContact CG-CB 3.87Å; E371-P382 HydrophobicContact CG-CG 3.88Å; E371-P382 WeakPolarHBondContact OE1-CG 3.45Å
372	Q	84.2	Confident	75.4	Confident	138 Å²	138	73.3 Å²	73.3	65%	0.645	43%	0.427	S	S	*	.	H	α-helix	trans	-63.2	-32.2	175.2	-75.9	-179.9	12.5	0	0	112.6	R368 E369 K400	R368-Q372 WeakPolarHBondContact O-CB 3.34Å; R368-Q372 VanDerWaalsContact O-CG 3.24Å; R368-Q372 WeakPolarHBondContact O-CG 3.01Å; R368-Q372 PolarHBondContact O-N 2.82Å; E369-Q372 PolarHBondContact O-N 3.26Å; Q372-K400 PolarHBondContact O-NZ 3.08Å
373	A	82.3	Confident	75.5	Confident	13 Å²	13	74.4 Å²	74.4	11%	0.107	43%	0.434	C	S	.	.	H	α-helix	trans	-78.4	-33.3	177	0	0	0	0	0	112.6	E369 V370 E371 G375 K400 L401 A404	E369-A373 WeakPolarHBondContact O-CB 3.42Å; E369-A373 PolarHBondContact O-N 3.12Å; V370-A373 PolarHBondContact O-N 2.97Å; E371-A373 PolarHBondContact O-N 3.26Å; A373-G375 VanDerWaalsContact C-N 3.33Å; A373-K400 HydrophobicContact CB-CG 4.28Å; A373-L401 HydrophobicContact CB-CD2 3.67Å; A373-L401 HydrophobicContact CB-CG 4.36Å; A373-A404 HydrophobicContact CB-CB 3.82Å
374	L	77.4	Confident	75.5	Confident	50 Å²	50	74.3 Å²	74.3	26%	0.262	43%	0.431	S	S	.	.	H	α-helix	trans	-65.6	-33.9	175.5	-78.8	167.4	0	0	0	112.8	V370 E371 L389 L401	V370-L374 HydrophobicContact CG1-CD1 3.78Å; V370-L374 HydrophobicContact CG1-CG 4.27Å; V370-L374 WeakPolarHBondContact O-CB 3.34Å; V370-L374 VanDerWaalsContact O-CG 3.23Å; V370-L374 WeakPolarHBondContact O-CG 3.48Å; V370-L374 PolarHBondContact O-N 2.71Å; E371-L374 PolarHBondContact O-N 2.89Å; L374-L389 HydrophobicContact CD2-CD1 3.3Å; L374-L389 HydrophobicContact CD2-CG 4.29Å; L374-L401 HydrophobicContact CD2-CD2 4.29Å; L374-L401 HydrophobicContact CG-CD2 4.32Å
375	G	69.1	Low	75.6	Confident	44 Å²	44	69.1 Å²	69.1	45%	0.454	41%	0.41	S	S	.	.			trans	80.6	155.2	-171.1	0	0	0	0	0	111.8	E371 A373 D377	E371-G375 PolarHBondContact O-N 3.49Å; E371-G375 VanDerWaalsContact O-N 3.15Å; A373-G375 VanDerWaalsContact C-N 3.33Å; G375-D377 VanDerWaalsContact C-N 3.33Å; G375-D377 PolarHBondContact O-N 3.37Å
376	S	55	Low	75.7	Confident	129 Å²	129	63.2 Å²	63.2	90%	0.902	38%	0.383	S	S	*	.			trans	-76.4	71.8	-171.1	-49.6	0	0	0	0	113	A378	S376-A378 PolarHBondContact O-N 3.14Å
377	D	57.9	Low	75.8	Confident	138 Å²	138	65.3 Å²	65.3	74%	0.738	39%	0.389	S	S	*	.			trans	-78.4	95.4	163.7	-99.1	-12.6	0	0	0	108.9	G375 G379	G375-D377 VanDerWaalsContact C-N 3.33Å; G375-D377 PolarHBondContact O-N 3.37Å; D377-G379 PolarHBondContact O-N 3.38Å
378	A	50.9	Low	75.9	Confident	113 Å²	113	70.9 Å²	70.9	93%	0.934	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	89.7	-177.9	0	0	0	0	0	111.1	S376	S376-A378 PolarHBondContact O-N 3.14Å
379	G	60.5	Low	76.1	Confident	76 Å²	76	65 Å²	65	78%	0.784	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	155	-19.9	168.5	0	0	0	0	0	116.1	D377	D377-G379 PolarHBondContact O-N 3.38Å
380	T	69.3	Low	76.2	Confident	74 Å²	74	61.7 Å²	61.7	45%	0.454	38%	0.378	S	S	.	.	S	Bend	trans	-98.6	128.6	-179.8	-16.2	0	0	0	0	110.7	D384	T380-D384 HydrophobicContact CG2-CB 4.26Å
381	P	76.1	Confident	76.4	Confident	67 Å²	67	65 Å²	65	44%	0.435	41%	0.406	S	S	.	.			trans	-55.1	134.6	173.4	-24.9	33.7	0	0	0	110.8	V383 D384 S385	P381-V383 PolarHBondContact O-N 2.9Å; P381-V383 VanDerWaalsContact O-N 3.07Å; P381-D384 HydrophobicContact CB-CB 4.44Å; P381-D384 WeakPolarHBondContact O-CA 3.41Å; P381-D384 WeakPolarHBondContact O-CB 3.37Å; P381-D384 PolarHBondContact O-N 2.92Å; P381-S385 PolarHBondContact O-N 3.41Å; P381-S385 VanDerWaalsContact O-N 3.15Å
382	P	76.3	Confident	76.5	Confident	44 Å²	44	64.1 Å²	64.1	29%	0.286	41%	0.407	S	S	.	.	H	α-helix	trans	-50.9	-36	-179.5	-28.7	32.4	0	0	0	113.9	W367 E371 S385 L386	W367-P382 HydrophobicContact CE3-CB 4.05Å; W367-P382 HydrophobicContact CZ3-CB 3.84Å; E371-P382 HydrophobicContact CG-CB 3.87Å; E371-P382 HydrophobicContact CG-CG 3.88Å; E371-P382 WeakPolarHBondContact OE1-CG 3.45Å; P382-S385 PolarHBondContact O-N 2.96Å; P382-L386 WeakPolarHBondContact O-CB 3.45Å; P382-L386 PolarHBondContact O-N 3.03Å
383	V	79.9	Confident	76.5	Confident	25 Å²	25	58 Å²	58	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-61.6	-41.5	174.8	178.7	0	0	0	0	112.2	L349 W367 P381 R387	L349-V383 HydrophobicContact CD2-CG1 4.21Å; W367-V383 HydrophobicContact CH2-CB 4.2Å; W367-V383 HydrophobicContact CH2-CG2 3.5Å; W367-V383 HydrophobicContact CZ2-CG2 3.61Å; W367-V383 HydrophobicContact CZ3-CG2 4.42Å; P381-V383 PolarHBondContact O-N 2.9Å; P381-V383 VanDerWaalsContact O-N 3.07Å; V383-R387 WeakPolarHBondContact O-CB 3.21Å; V383-R387 PolarHBondContact O-N 3.39Å
384	D	81.6	Confident	76.6	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.144	40%	0.396	C	S	.	.	H	α-helix	trans	-71	-38.3	179.2	-82.2	-41.8	0	0	0	111.2	R353 T380 P381 R387 K388	R353-D384 IonicContact NE-OD1 2.68Å; R353-D384 IonicContact NE-OD2 3.06Å; T380-D384 HydrophobicContact CG2-CB 4.26Å; P381-D384 HydrophobicContact CB-CB 4.44Å; P381-D384 WeakPolarHBondContact O-CA 3.41Å; P381-D384 WeakPolarHBondContact O-CB 3.37Å; P381-D384 PolarHBondContact O-N 2.92Å; D384-R387 PolarHBondContact O-N 3.4Å; D384-R387 IonicContact OD1-CZ 3.2Å; D384-R387 IonicContact OD1-NE 2.82Å; D384-R387 IonicContact OD1-NH2 2.8Å; D384-R387 PolarHBondContact OD1-NH2 3.46Å; D384-K388 WeakPolarHBondContact O-CB 3.49Å; D384-K388 PolarHBondContact O-N 3.29Å
385	S	83.1	Confident	77	Confident	26 Å²	26	59.5 Å²	59.5	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-48.7	173.2	-61.1	0	0	0	0	111.7	P381 P382 R387 K388 L389	P381-S385 PolarHBondContact O-N 3.41Å; P381-S385 VanDerWaalsContact O-N 3.15Å; P382-S385 PolarHBondContact O-N 2.96Å; S385-R387 PolarHBondContact O-N 3.32Å; S385-K388 PolarHBondContact O-N 3.27Å; S385-L389 WeakPolarHBondContact O-CG 3.31Å; S385-L389 PolarHBondContact O-N 2.92Å
386	L	83.8	Confident	77.9	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.037	38%	0.376	C	S	.	.	H	α-helix	trans	-60.4	-44.7	176.7	178.9	60.9	0	0	0	111.7	L349 L362 W367 V370 P382 K388 L389 I390 L405	L349-L386 HydrophobicContact CD2-CD2 4.33Å; L362-L386 HydrophobicContact CD1-CD2 4.01Å; W367-L386 HydrophobicContact CH2-CD2 3.92Å; W367-L386 HydrophobicContact CZ3-CD2 4.14Å; V370-L386 HydrophobicContact CG1-CD1 4.41Å; P382-L386 WeakPolarHBondContact O-CB 3.45Å; P382-L386 PolarHBondContact O-N 3.03Å; L386-K388 PolarHBondContact O-N 3.24Å; L386-L389 PolarHBondContact O-N 3.16Å; L386-I390 HydrophobicContact CD1-CD1 3.81Å; L386-I390 HydrophobicContact CD1-CG1 4.22Å; L386-I390 HydrophobicContact CG-CD1 3.8Å; L386-I390 WeakPolarHBondContact O-CG1 3.42Å; L386-I390 PolarHBondContact O-N 2.95Å; L386-L405 HydrophobicContact CD1-CD2 3.54Å
387	R	87	Confident	79.4	Confident	63 Å²	63	64 Å²	64	24%	0.238	37%	0.373	C	S	.	.	H	α-helix	trans	-60.2	-46.4	177.2	-172.4	177.7	57.7	147.4	-1.1	111.5	Q346 L349 V383 D384 S385 I390 A391	Q346-R387 PolarHBondContact NE2-O 3.39Å; L349-R387 HydrophobicContact CB-CB 4.49Å; L349-R387 HydrophobicContact CB-CG 4.39Å; L349-R387 HydrophobicContact CD1-CB 4.08Å; L349-R387 HydrophobicContact CD1-CG 4.34Å; V383-R387 WeakPolarHBondContact O-CB 3.21Å; V383-R387 PolarHBondContact O-N 3.39Å; D384-R387 PolarHBondContact O-N 3.4Å; D384-R387 IonicContact OD1-CZ 3.2Å; D384-R387 IonicContact OD1-NE 2.82Å; D384-R387 IonicContact OD1-NH2 2.8Å; D384-R387 PolarHBondContact OD1-NH2 3.46Å; S385-R387 PolarHBondContact O-N 3.32Å; R387-I390 PolarHBondContact O-N 3.11Å; R387-A391 WeakPolarHBondContact O-CB 3.43Å; R387-A391 PolarHBondContact O-N 2.84Å
388	K	86.6	Confident	80.9	Confident	141 Å²	141	59.4 Å²	59.4	61%	0.613	35%	0.352	S	S	*	.	H	α-helix	trans	-60.7	-47.1	176.6	-175.1	-178.1	175.6	-171.8	0	110.8	D384 S385 L386 I390 A391 T392	D384-K388 WeakPolarHBondContact O-CB 3.49Å; D384-K388 PolarHBondContact O-N 3.29Å; S385-K388 PolarHBondContact O-N 3.27Å; L386-K388 PolarHBondContact O-N 3.24Å; K388-I390 PolarHBondContact O-N 3.49Å; K388-A391 PolarHBondContact O-N 3.34Å; K388-T392 HydrophobicContact CG-CG2 4.34Å; K388-T392 WeakPolarHBondContact O-CG2 3.41Å; K388-T392 PolarHBondContact O-N 3.49Å; K388-T392 PolarHBondContact O-OG1 3.03Å
389	L	86.4	Confident	82.7	Confident	24 Å²	24	61.5 Å²	61.5	13%	0.126	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-46.1	179	-76	-176.2	0	0	0	112.9	L374 S385 L386 A391 T392 G393 E394 W395 L401	L374-L389 HydrophobicContact CD2-CD1 3.3Å; L374-L389 HydrophobicContact CD2-CG 4.29Å; S385-L389 WeakPolarHBondContact O-CG 3.31Å; S385-L389 PolarHBondContact O-N 2.92Å; L386-L389 PolarHBondContact O-N 3.16Å; L389-A391 VanDerWaalsContact C-N 3.25Å; L389-A391 PolarHBondContact O-N 3.32Å; L389-T392 PolarHBondContact O-N 3.11Å; L389-T392 PolarHBondContact O-OG1 3.48Å; L389-G393 WeakPolarHBondContact O-CA 3.4Å; L389-G393 PolarHBondContact O-N 3.25Å; L389-E394 HydrophobicContact CD2-CB 4.17Å; L389-W395 HydrophobicContact CB-CB 4.44Å; L389-W395 HydrophobicContact CD1-CB 4.46Å; L389-L401 HydrophobicContact CD1-CD1 4.16Å; L389-L401 HydrophobicContact CD1-CD2 4.31Å
390	I	86.8	Confident	84	Confident	6 Å²	6	64 Å²	64	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-38.1	178	-68	162.2	0	0	0	110.2	L345 L349 L386 R387 K388	L345-I390 HydrophobicContact CD2-CD1 3.66Å; L345-I390 HydrophobicContact CD2-CG2 4.39Å; L345-I390 HydrophobicContact CG-CD1 4.18Å; L349-I390 HydrophobicContact CD1-CD1 3.9Å; L386-I390 HydrophobicContact CD1-CD1 3.81Å; L386-I390 HydrophobicContact CD1-CG1 4.22Å; L386-I390 HydrophobicContact CG-CD1 3.8Å; L386-I390 WeakPolarHBondContact O-CG1 3.42Å; L386-I390 PolarHBondContact O-N 2.95Å; R387-I390 PolarHBondContact O-N 3.11Å; K388-I390 PolarHBondContact O-N 3.49Å
391	A	86.4	Confident	84.9	Confident	72 Å²	72	61.4 Å²	61.4	60%	0.595	32%	0.315	S	S	*	.	H	α-helix	trans	-69.9	-38.6	178.8	0	0	0	0	0	112.9	R387 K388 L389	R387-A391 WeakPolarHBondContact O-CB 3.43Å; R387-A391 PolarHBondContact O-N 2.84Å; K388-A391 PolarHBondContact O-N 3.34Å; L389-A391 VanDerWaalsContact C-N 3.25Å; L389-A391 PolarHBondContact O-N 3.32Å
392	T	85.3	Confident	85.6	Confident	70 Å²	70	58.5 Å²	58.5	43%	0.429	30%	0.296	S	S	.	.	H	α-helix	trans	-85.7	-21.1	-179.4	61.5	0	0	0	0	113.3	K388 L389 E394	K388-T392 HydrophobicContact CG-CG2 4.34Å; K388-T392 WeakPolarHBondContact O-CG2 3.41Å; K388-T392 PolarHBondContact O-N 3.49Å; K388-T392 PolarHBondContact O-OG1 3.03Å; L389-T392 PolarHBondContact O-N 3.11Å; L389-T392 PolarHBondContact O-OG1 3.48Å; T392-E394 PolarHBondContact O-N 3.03Å; T392-E394 WeakPolarHBondContact OG1-CG 3.42Å; T392-E394 PolarHBondContact OG1-N 2.76Å; T392-E394 PolarHBondContact OG1-OE2 3.33Å
393	G	85	Confident	86.3	Confident	8 Å²	8	61.6 Å²	61.6	8%	0.082	31%	0.309	C	S	.	.			trans	69.8	7.8	-173.5	0	0	0	0	0	113.9	L389 W395 T396	L389-G393 WeakPolarHBondContact O-CA 3.4Å; L389-G393 PolarHBondContact O-N 3.25Å; G393-W395 PolarHBondContact O-N 3.49Å; G393-T396 WeakPolarHBondContact O-CB 3.45Å; G393-T396 WeakPolarHBondContact O-CG2 3.31Å; G393-T396 PolarHBondContact O-N 3.49Å; G393-T396 VanDerWaalsContact O-N 3.15Å; G393-T396 PolarHBondContact O-OG1 3.12Å
394	E	84.9	Confident	86.8	Confident	93 Å²	93	61.1 Å²	61.1	44%	0.435	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-63.2	-25.6	-175.5	-75.5	169.3	154.9	0	0	113.1	L389 T392 T396 R397	L389-E394 HydrophobicContact CD2-CB 4.17Å; T392-E394 PolarHBondContact O-N 3.03Å; T392-E394 WeakPolarHBondContact OG1-CG 3.42Å; T392-E394 PolarHBondContact OG1-N 2.76Å; T392-E394 PolarHBondContact OG1-OE2 3.33Å; E394-T396 PolarHBondContact O-N 3.13Å; E394-T396 VanDerWaalsContact O-N 3.08Å; E394-R397 WeakPolarHBondContact O-CB 3.43Å; E394-R397 PolarHBondContact O-N 3.44Å
395	W	85.9	Confident	87.2	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.008	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-55.7	-26.7	176	66.9	-92.8	0	0	0	112.9	L389 G393 R397 S398 L401 L405 L409 W446 C459	L389-W395 HydrophobicContact CB-CB 4.44Å; L389-W395 HydrophobicContact CD1-CB 4.46Å; G393-W395 PolarHBondContact O-N 3.49Å; W395-R397 PolarHBondContact O-N 3.25Å; W395-S398 PolarHBondContact O-N 3.44Å; W395-L401 HydrophobicContact CB-CB 4.37Å; W395-L405 HydrophobicContact CB-CD1 3.76Å; W395-L405 HydrophobicContact CD2-CD1 3.98Å; W395-L405 HydrophobicContact CE3-CD1 4.13Å; W395-L405 HydrophobicContact CG-CD1 3.84Å; W395-L409 HydrophobicContact CZ2-CD1 4.45Å; W395-W446 AromaticContact CH2-CH2 3.31Å; W395-W446 HydrophobicContact CH2-CH2 3.31Å; W395-W446 AromaticContact CH2-CZ2 3.78Å; W395-W446 HydrophobicContact CH2-CZ2 3.78Å; W395-W446 HydrophobicContact CH2-CZ3 4.1Å; W395-W446 HydrophobicContact CZ2-CH2 4.34Å; W395-W446 AromaticContact CZ3-CH2 3.43Å; W395-W446 HydrophobicContact CZ3-CH2 3.43Å; W395-W446 VanDerWaalsContact CZ3-CH2 3.43Å; W395-W446 AromaticContact CZ3-CZ2 3.53Å; W395-W446 HydrophobicContact CZ3-CZ2 3.53Å; W395-C459 HydrophobicContact CH2-CB 4.49Å; W395-C459 WeakPolarHBondContact CH2-O 3.47Å; W395-C459 HydrophobicContact CZ2-CB 3.8Å; W395-C459 WeakPolarHBondContact CZ2-O 3.47Å
396	T	87.4	Confident	87.7	Confident	49 Å²	49	61.9 Å²	61.9	30%	0.301	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.5	178.4	59.3	0	0	0	0	114.1	G393 E394 V455	G393-T396 WeakPolarHBondContact O-CB 3.45Å; G393-T396 WeakPolarHBondContact O-CG2 3.31Å; G393-T396 PolarHBondContact O-N 3.49Å; G393-T396 VanDerWaalsContact O-N 3.15Å; G393-T396 PolarHBondContact O-OG1 3.12Å; E394-T396 PolarHBondContact O-N 3.13Å; E394-T396 VanDerWaalsContact O-N 3.08Å; T396-V455 HydrophobicContact CG2-CG1 4.02Å; T396-V455 HydrophobicContact CG2-CG2 4.08Å
397	R	87	Confident	88.2	Confident	219 Å²	219	64.6 Å²	64.6	83%	0.826	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-84.9	-19.3	178.3	-61.4	-178.5	-179.7	177.9	1.2	113.2	E394 W395	E394-R397 WeakPolarHBondContact O-CB 3.43Å; E394-R397 PolarHBondContact O-N 3.44Å; W395-R397 PolarHBondContact O-N 3.25Å
398	S	88.6	Confident	88.4	Confident	42 Å²	42	61.8 Å²	61.8	29%	0.294	32%	0.316	S	S	.	.			trans	-107.8	115.8	-178.3	171.8	0	0	0	0	109.9	W395 K400 L401 S402	W395-S398 PolarHBondContact O-N 3.44Å; S398-K400 VanDerWaalsContact C-N 3.3Å; S398-K400 PolarHBondContact O-N 3.21Å; S398-L401 PolarHBondContact O-N 2.9Å; S398-L401 PolarHBondContact OG-N 3.33Å; S398-S402 WeakPolarHBondContact O-CB 3.1Å; S398-S402 PolarHBondContact O-N 2.88Å
399	E	88.3	Confident	88.7	Confident	156 Å²	156	55.1 Å²	55.1	73%	0.729	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-39.2	178.6	-172.3	166.4	-157.6	0	0	111.8	L401 S402 L403	E399-L401 PolarHBondContact O-N 3.49Å; E399-S402 WeakPolarHBondContact O-CB 3.48Å; E399-S402 PolarHBondContact O-N 2.72Å; E399-L403 HydrophobicContact CG-CD1 4.19Å; E399-L403 WeakPolarHBondContact O-CG 3.31Å; E399-L403 PolarHBondContact O-N 3.11Å
400	K	88.9	Confident	89.2	Confident	129 Å²	129	54.9 Å²	54.9	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-58.9	-46.1	175.8	-169.7	-173.2	-176.4	-167.9	0	112	Q372 A373 S398 A404	Q372-K400 PolarHBondContact O-NZ 3.08Å; A373-K400 HydrophobicContact CB-CG 4.28Å; S398-K400 VanDerWaalsContact C-N 3.3Å; S398-K400 PolarHBondContact O-N 3.21Å; K400-A404 PolarHBondContact O-N 2.76Å; K400-A404 VanDerWaalsContact O-N 3.15Å
401	L	87.6	Confident	89.6	Confident	20 Å²	20	54.6 Å²	54.6	11%	0.105	28%	0.284	C	S	.	.	H	α-helix	trans	-68.4	-41	177.3	-77.1	169.5	0	0	0	111.5	A373 L374 L389 W395 S398 E399 L403 A404 L405	A373-L401 HydrophobicContact CB-CD2 3.67Å; A373-L401 HydrophobicContact CB-CG 4.36Å; L374-L401 HydrophobicContact CD2-CD2 4.29Å; L374-L401 HydrophobicContact CG-CD2 4.32Å; L389-L401 HydrophobicContact CD1-CD1 4.16Å; L389-L401 HydrophobicContact CD1-CD2 4.31Å; W395-L401 HydrophobicContact CB-CB 4.37Å; S398-L401 PolarHBondContact O-N 2.9Å; S398-L401 PolarHBondContact OG-N 3.33Å; E399-L401 PolarHBondContact O-N 3.49Å; L401-L403 VanDerWaalsContact C-N 3.33Å; L401-L403 PolarHBondContact O-N 3.26Å; L401-A404 PolarHBondContact O-N 3.42Å; L401-L405 VanDerWaalsContact O-CB 3.31Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 VanDerWaalsContact O-CG 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 2.93Å
402	S	90.4	Very high	90	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-44.8	176.7	-176.4	0	0	0	0	111.8	S398 E399 L405 E406	S398-S402 WeakPolarHBondContact O-CB 3.1Å; S398-S402 PolarHBondContact O-N 2.88Å; E399-S402 WeakPolarHBondContact O-CB 3.48Å; E399-S402 PolarHBondContact O-N 2.72Å; S402-L405 PolarHBondContact O-N 2.74Å; S402-E406 WeakPolarHBondContact O-CB 3.41Å; S402-E406 PolarHBondContact O-N 2.83Å
403	L	90.8	Very high	90.6	Very high	108 Å²	108	48 Å²	48	57%	0.565	24%	0.236	S	C	*	.	H	α-helix	trans	-67.1	-40.2	178.5	-71.8	169.8	0	0	0	112.4	E399 L401 P407	E399-L403 HydrophobicContact CG-CD1 4.19Å; E399-L403 WeakPolarHBondContact O-CG 3.31Å; E399-L403 PolarHBondContact O-N 3.11Å; L401-L403 VanDerWaalsContact C-N 3.33Å; L401-L403 PolarHBondContact O-N 3.26Å; L403-P407 VanDerWaalsContact O-CD 3.3Å; L403-P407 WeakPolarHBondContact O-CD 3.46Å
404	A	90.1	Very high	91.1	Very high	15 Å²	15	47.6 Å²	47.6	12%	0.124	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-35.9	177.4	0	0	0	0	0	112.6	A373 K400 L401	A373-A404 HydrophobicContact CB-CB 3.82Å; K400-A404 PolarHBondContact O-N 2.76Å; K400-A404 VanDerWaalsContact O-N 3.15Å; L401-A404 PolarHBondContact O-N 3.42Å
405	L	91.1	Very high	91.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-83.5	-24	-177	-70.3	175	0	0	0	113.9	V370 L386 W395 L401 S402 V408 L409	V370-L405 HydrophobicContact CG2-CD2 4.11Å; L386-L405 HydrophobicContact CD1-CD2 3.54Å; W395-L405 HydrophobicContact CB-CD1 3.76Å; W395-L405 HydrophobicContact CD2-CD1 3.98Å; W395-L405 HydrophobicContact CE3-CD1 4.13Å; W395-L405 HydrophobicContact CG-CD1 3.84Å; L401-L405 VanDerWaalsContact O-CB 3.31Å; L401-L405 WeakPolarHBondContact O-CB 3.3Å; L401-L405 VanDerWaalsContact O-CG 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 2.93Å; S402-L405 PolarHBondContact O-N 2.74Å; L405-V408 PolarHBondContact O-N 3.04Å; L405-L409 HydrophobicContact CB-CD1 3.95Å; L405-L409 HydrophobicContact CB-CG 4.34Å; L405-L409 WeakPolarHBondContact O-CB 3.39Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.42Å
406	E	93.7	Very high	92.2	Very high	68 Å²	68	45.6 Å²	45.6	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-51.9	-59.2	-179.3	176.8	169.9	178.8	0	0	113.7	S402 V408 L409 M410 W446	S402-E406 WeakPolarHBondContact O-CB 3.41Å; S402-E406 PolarHBondContact O-N 2.83Å; E406-V408 VanDerWaalsContact C-N 3.28Å; E406-V408 PolarHBondContact O-N 2.69Å; E406-L409 PolarHBondContact O-N 2.79Å; E406-M410 HydrophobicContact CG-CG 4.25Å; E406-M410 VanDerWaalsContact O-CB 3.27Å; E406-M410 WeakPolarHBondContact O-CB 3.37Å; E406-M410 WeakPolarHBondContact O-CG 3.35Å; E406-M410 PolarHBondContact O-N 3.32Å; E406-W446 HydrophobicContact CB-CD2 4.06Å; E406-W446 HydrophobicContact CB-CH2 4.31Å; E406-W446 HydrophobicContact CB-CZ2 3.74Å; E406-W446 VanDerWaalsContact CD-NE1 3.28Å; E406-W446 HydrophobicContact CG-CB 4.39Å; E406-W446 HydrophobicContact CG-CD2 3.72Å; E406-W446 HydrophobicContact CG-CE3 4.33Å; E406-W446 HydrophobicContact CG-CG 3.74Å; E406-W446 HydrophobicContact CG-CZ2 4.35Å; E406-W446 VanDerWaalsContact OE1-CD1 3.29Å; E406-W446 PolarHBondContact OE2-NE1 2.87Å
407	P	93	Very high	92.7	Very high	63 Å²	63	43.3 Å²	43.3	41%	0.409	21%	0.206	S	C	.	.	H	α-helix	trans	-61	-38.8	-177.1	23.4	-33.8	0	0	0	112.1	L403 R411	L403-P407 VanDerWaalsContact O-CD 3.3Å; L403-P407 WeakPolarHBondContact O-CD 3.46Å; P407-R411 VanDerWaalsContact O-CB 3.24Å; P407-R411 WeakPolarHBondContact O-CB 3.35Å; P407-R411 PolarHBondContact O-N 3.47Å
408	V	91.4	Very high	93.2	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-55.5	177.3	164.8	0	0	0	0	111.3	L362 E366 L405 E406 M410 R411 L412	L362-V408 HydrophobicContact CD2-CB 4.09Å; L362-V408 HydrophobicContact CD2-CG1 3.3Å; L362-V408 HydrophobicContact CD2-CG2 3.7Å; E366-V408 HydrophobicContact CB-CG2 4.02Å; E366-V408 HydrophobicContact CG-CG2 3.92Å; L405-V408 PolarHBondContact O-N 3.04Å; E406-V408 VanDerWaalsContact C-N 3.28Å; E406-V408 PolarHBondContact O-N 2.69Å; V408-M410 VanDerWaalsContact C-N 3.35Å; V408-M410 PolarHBondContact O-N 3.11Å; V408-R411 PolarHBondContact O-N 3.06Å; V408-L412 HydrophobicContact CG1-CD1 3.89Å; V408-L412 VanDerWaalsContact O-CG 3.29Å; V408-L412 WeakPolarHBondContact O-CG 3.49Å; V408-L412 PolarHBondContact O-N 2.97Å
409	L	94.4	Very high	93.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-69.3	-35.6	-174	-69.3	176.8	0	0	0	111.4	L345 W395 L405 E406 C413 W446 C459 I461	L345-L409 HydrophobicContact CD2-CD2 3.58Å; W395-L409 HydrophobicContact CZ2-CD1 4.45Å; L405-L409 HydrophobicContact CB-CD1 3.95Å; L405-L409 HydrophobicContact CB-CG 4.34Å; L405-L409 WeakPolarHBondContact O-CB 3.39Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.42Å; E406-L409 PolarHBondContact O-N 2.79Å; L409-C413 WeakPolarHBondContact O-CB 3.47Å; L409-C413 PolarHBondContact O-N 3.39Å; L409-W446 HydrophobicContact CB-CZ3 3.95Å; L409-W446 HydrophobicContact CD1-CH2 3.81Å; L409-W446 HydrophobicContact CD1-CZ3 3.89Å; L409-C459 HydrophobicContact CD1-CB 3.97Å; L409-I461 HydrophobicContact CB-CD1 4.07Å
410	M	96.3	Very high	93.8	Very high	18 Å²	18	29.7 Å²	29.7	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-43.7	174.8	-69.1	-69.9	-73.9	0	0	111.6	E406 V408 C413 G414 I444 W446 I461 L494	E406-M410 HydrophobicContact CG-CG 4.25Å; E406-M410 VanDerWaalsContact O-CB 3.27Å; E406-M410 WeakPolarHBondContact O-CB 3.37Å; E406-M410 WeakPolarHBondContact O-CG 3.35Å; E406-M410 PolarHBondContact O-N 3.32Å; V408-M410 VanDerWaalsContact C-N 3.35Å; V408-M410 PolarHBondContact O-N 3.11Å; M410-C413 PolarHBondContact O-N 3.02Å; M410-G414 PolarHBondContact O-N 2.64Å; M410-I444 HydrophobicContact CE-CB 3.96Å; M410-I444 HydrophobicContact CE-CG2 3.62Å; M410-I444 VanDerWaalsContact CE-O 3.32Å; M410-I444 WeakPolarHBondContact CE-O 3.35Å; M410-I444 HydrophobicContact SD-CG2 3.7Å; M410-W446 HydrophobicContact CE-CB 4.35Å; M410-W446 HydrophobicContact CG-CB 4.47Å; M410-W446 HydrophobicContact CG-CE3 4.14Å; M410-W446 HydrophobicContact SD-CB 3.89Å; M410-W446 HydrophobicContact SD-CE3 4.12Å; M410-I461 HydrophobicContact SD-CD1 4.08Å; M410-I461 HydrophobicContact SD-CG1 4.33Å; M410-I461 HydrophobicContact SD-CG2 4.16Å; M410-L494 HydrophobicContact CB-CD2 4.15Å
411	R	95.1	Very high	94.1	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-50	175.3	178.7	177	66	72.2	-4.1	111.8	L361 E366 P407 V408 C413 G414 W415 Q497 F498 S502	L361-R411 PolarHBondContact O-NH2 3.23Å; L361-R411 VanDerWaalsContact O-NH2 3.09Å; E366-R411 VanDerWaalsContact CD-NH2 3.26Å; E366-R411 IonicContact OE1-CZ 2.88Å; E366-R411 IonicContact OE1-NE 2.88Å; E366-R411 PolarHBondContact OE1-NE 3.18Å; E366-R411 IonicContact OE1-NH2 3.69Å; E366-R411 PolarHBondContact OE1-NH2 3.41Å; E366-R411 IonicContact OE2-CZ 3.53Å; E366-R411 IonicContact OE2-NE 3.95Å; E366-R411 IonicContact OE2-NH2 3.83Å; E366-R411 PolarHBondContact OE2-NH2 3.37Å; P407-R411 VanDerWaalsContact O-CB 3.24Å; P407-R411 WeakPolarHBondContact O-CB 3.35Å; P407-R411 PolarHBondContact O-N 3.47Å; V408-R411 PolarHBondContact O-N 3.06Å; R411-C413 VanDerWaalsContact C-N 3.32Å; R411-C413 PolarHBondContact O-N 3.46Å; R411-G414 PolarHBondContact O-N 2.99Å; R411-W415 PolarHBondContact O-N 2.8Å; R411-W415 VanDerWaalsContact O-N 3.13Å; R411-Q497 HydrophobicContact CG-CB 4.14Å; R411-F498 HydrophobicContact CG-CB 3.85Å; R411-F498 HydrophobicContact CG-CD2 4.44Å; R411-F498 VanDerWaalsContact NH1-CD2 3.35Å; R411-S502 PolarHBondContact NH1-OG 3.42Å
412	L	94.7	Very high	94.3	Very high	3 Å²	3	34 Å²	34	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-63	-38.5	177.5	-67.8	175.2	0	0	0	112	F341 W344 L345 L361 V408 W415 Y416 F498	F341-L412 HydrophobicContact CE2-CB 4.37Å; F341-L412 HydrophobicContact CZ-CB 4.25Å; W344-L412 HydrophobicContact CZ3-CB 4.41Å; L345-L412 HydrophobicContact CD1-CD1 3.81Å; L361-L412 HydrophobicContact CD1-CD2 3.71Å; L361-L412 HydrophobicContact CG-CD2 4.26Å; V408-L412 HydrophobicContact CG1-CD1 3.89Å; V408-L412 VanDerWaalsContact O-CG 3.29Å; V408-L412 WeakPolarHBondContact O-CG 3.49Å; V408-L412 PolarHBondContact O-N 2.97Å; L412-W415 PolarHBondContact O-N 3.07Å; L412-Y416 WeakPolarHBondContact O-CB 3.47Å; L412-Y416 PolarHBondContact O-N 3.34Å; L412-F498 HydrophobicContact CD2-CD2 3.95Å; L412-F498 HydrophobicContact CD2-CE2 3.66Å
413	C	97.1	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-41.4	176.2	-168.7	0	0	0	0	111.9	I338 F341 L409 M410 R411 W415 Y416 L417 I461	I338-C413 VanDerWaalsContact CD1-SG 3.51Å; F341-C413 HydrophobicContact CD2-CB 4.46Å; F341-C413 HydrophobicContact CE1-CB 4.25Å; F341-C413 VanDerWaalsContact CE2-CA 3.45Å; F341-C413 HydrophobicContact CE2-CB 3.87Å; F341-C413 HydrophobicContact CZ-CB 3.75Å; L409-C413 WeakPolarHBondContact O-CB 3.47Å; L409-C413 PolarHBondContact O-N 3.39Å; M410-C413 PolarHBondContact O-N 3.02Å; R411-C413 VanDerWaalsContact C-N 3.32Å; R411-C413 PolarHBondContact O-N 3.46Å; C413-W415 VanDerWaalsContact C-N 3.32Å; C413-W415 PolarHBondContact O-N 3.45Å; C413-Y416 PolarHBondContact O-N 2.69Å; C413-L417 WeakPolarHBondContact O-CG 3.34Å; C413-L417 PolarHBondContact O-N 3.37Å; C413-I461 HydrophobicContact CB-CD1 4Å
414	G	97	Very high	94.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.7	-46.1	172.6	0	0	0	0	0	112.2	M410 R411 Y418	M410-G414 PolarHBondContact O-N 2.64Å; R411-G414 PolarHBondContact O-N 2.99Å; G414-Y418 VanDerWaalsContact O-CB 3.25Å; G414-Y418 WeakPolarHBondContact O-CB 3.38Å; G414-Y418 PolarHBondContact O-N 3.22Å
415	W	96.1	Very high	94.8	Very high	43 Å²	43	42.2 Å²	42.2	16%	0.163	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-43.7	174.7	-178.3	-103.2	0	0	0	113.4	R411 L412 C413 L417 Y418 G419 E420 V495 F498 Q499	R411-W415 PolarHBondContact O-N 2.8Å; R411-W415 VanDerWaalsContact O-N 3.13Å; L412-W415 PolarHBondContact O-N 3.07Å; C413-W415 VanDerWaalsContact C-N 3.32Å; C413-W415 PolarHBondContact O-N 3.45Å; W415-L417 VanDerWaalsContact C-N 3.28Å; W415-L417 PolarHBondContact O-N 3.1Å; W415-Y418 PolarHBondContact O-N 3.12Å; W415-G419 VanDerWaalsContact O-CA 3.23Å; W415-G419 WeakPolarHBondContact O-CA 3.43Å; W415-G419 PolarHBondContact O-N 3.29Å; W415-E420 PolarHBondContact NE1-OE1 3Å; W415-E420 PolarHBondContact O-N 3.21Å; W415-V495 HydrophobicContact CE3-CG1 4.2Å; W415-V495 HydrophobicContact CZ3-CG1 4.35Å; W415-F498 HydrophobicContact CB-CB 4.13Å; W415-F498 HydrophobicContact CB-CD1 3.85Å; W415-F498 HydrophobicContact CB-CD2 3.6Å; W415-F498 HydrophobicContact CB-CE1 4.23Å; W415-F498 HydrophobicContact CB-CE2 4Å; W415-F498 HydrophobicContact CB-CG 3.55Å; W415-F498 HydrophobicContact CB-CZ 4.31Å; W415-F498 AromaticContact CD1-CE1 3.72Å; W415-F498 AromaticContact CD1-CE2 3.95Å; W415-F498 AromaticContact CD1-CZ 3.61Å; W415-F498 AromaticContact CD2-CD1 3.28Å; W415-F498 HydrophobicContact CD2-CD1 3.28Å; W415-F498 AromaticContact CD2-CE1 3.32Å; W415-F498 HydrophobicContact CD2-CE1 3.32Å; W415-F498 AromaticContact CD2-CG 3.98Å; W415-F498 HydrophobicContact CD2-CG 3.98Å; W415-F498 HydrophobicContact CD2-CZ 4.03Å; W415-F498 AromaticContact CE2-CD1 3.95Å; W415-F498 AromaticContact CE2-CE1 3.49Å; W415-F498 VanDerWaalsContact CE2-CE1 3.49Å; W415-F498 AromaticContact CE3-CD1 3.37Å; W415-F498 HydrophobicContact CE3-CD1 3.37Å; W415-F498 AromaticContact CE3-CE1 3.82Å; W415-F498 HydrophobicContact CE3-CE1 3.82Å; W415-F498 HydrophobicContact CE3-CG 4.13Å; W415-F498 AromaticContact CG-CD1 3.5Å; W415-F498 HydrophobicContact CG-CD1 3.5Å; W415-F498 VanDerWaalsContact CG-CD1 3.5Å; W415-F498 AromaticContact CG-CD2 3.9Å; W415-F498 HydrophobicContact CG-CD2 3.9Å; W415-F498 AromaticContact CG-CE1 3.49Å; W415-F498 HydrophobicContact CG-CE1 3.49Å; W415-F498 VanDerWaalsContact CG-CE1 3.49Å; W415-F498 AromaticContact CG-CE2 3.89Å; W415-F498 HydrophobicContact CG-CE2 3.89Å; W415-F498 AromaticContact CG-CG 3.73Å; W415-F498 HydrophobicContact CG-CG 3.73Å; W415-F498 AromaticContact CG-CZ 3.71Å; W415-F498 HydrophobicContact CG-CZ 3.71Å; W415-F498 HydrophobicContact CH2-CE1 4.5Å; W415-F498 HydrophobicContact CZ2-CE1 4.09Å; W415-F498 HydrophobicContact CZ3-CD1 4.07Å; W415-F498 HydrophobicContact CZ3-CE1 4.38Å; W415-F498 AromaticContact NE1-CE1 3.73Å; W415-F498 AromaticContact NE1-CZ 3.88Å; W415-Q499 HydrophobicContact CZ3-CG 4.02Å
416	Y	97	Very high	95.1	Very high	10 Å²	10	42.4 Å²	42.4	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-59.1	-39.2	177.9	171.6	-105.4	0	0	0	112.8	I338 P339 F341 W344 L412 C413 E420 L427 N428	I338-Y416 HydrophobicContact CG2-CD1 3.95Å; I338-Y416 HydrophobicContact CG2-CE1 3.66Å; P339-Y416 PolarHBondContact O-OH 3.42Å; F341-Y416 HydrophobicContact CB-CD1 4.05Å; F341-Y416 HydrophobicContact CB-CE1 3.96Å; F341-Y416 AromaticContact CD2-CD1 3.72Å; F341-Y416 HydrophobicContact CD2-CD1 3.72Å; F341-Y416 HydrophobicContact CD2-CD2 4.49Å; F341-Y416 HydrophobicContact CD2-CE1 4.43Å; F341-Y416 AromaticContact CD2-CG 3.75Å; F341-Y416 HydrophobicContact CD2-CG 3.75Å; F341-Y416 HydrophobicContact CE2-CG 4.47Å; F341-Y416 HydrophobicContact CG-CD1 4.33Å; W344-Y416 HydrophobicContact CB-CD2 3.99Å; W344-Y416 HydrophobicContact CB-CE2 3.7Å; W344-Y416 AromaticContact CD1-CD2 3.92Å; W344-Y416 AromaticContact CD2-CD2 3.43Å; W344-Y416 HydrophobicContact CD2-CD2 3.43Å; W344-Y416 VanDerWaalsContact CD2-CD2 3.43Å; W344-Y416 HydrophobicContact CD2-CE2 4.1Å; W344-Y416 HydrophobicContact CD2-CG 4.2Å; W344-Y416 AromaticContact CE2-CD2 3.78Å; W344-Y416 AromaticContact CE3-CD2 3.83Å; W344-Y416 HydrophobicContact CE3-CD2 3.83Å; W344-Y416 HydrophobicContact CE3-CG 4.15Å; W344-Y416 AromaticContact CG-CD2 3.51Å; W344-Y416 HydrophobicContact CG-CD2 3.51Å; W344-Y416 AromaticContact CG-CE2 3.67Å; W344-Y416 HydrophobicContact CG-CE2 3.67Å; W344-Y416 HydrophobicContact CZ2-CD2 4.4Å; W344-Y416 HydrophobicContact CZ3-CD2 4.49Å; L412-Y416 WeakPolarHBondContact O-CB 3.47Å; L412-Y416 PolarHBondContact O-N 3.34Å; C413-Y416 PolarHBondContact O-N 2.69Å; Y416-E420 HydrophobicContact CD2-CG 4.42Å; Y416-L427 HydrophobicContact CD2-CD2 4.23Å; Y416-L427 HydrophobicContact CE2-CD2 3.73Å; Y416-L427 HydrophobicContact CE2-CG 4.24Å; Y416-N428 HydrophobicContact CE1-CB 3.74Å; Y416-N428 PolarHBondContact OH-ND2 2.82Å
417	L	97.9	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-77.4	-45.5	179	-71.4	177.3	0	0	0	112.2	I338 C413 W415 N428 A431 M441 I444 V463	I338-L417 HydrophobicContact CD1-CD1 4.04Å; I338-L417 HydrophobicContact CG2-CD2 3.74Å; I338-L417 HydrophobicContact CG2-CG 4.36Å; C413-L417 WeakPolarHBondContact O-CG 3.34Å; C413-L417 PolarHBondContact O-N 3.37Å; W415-L417 VanDerWaalsContact C-N 3.28Å; W415-L417 PolarHBondContact O-N 3.1Å; L417-N428 HydrophobicContact CD2-CB 4.05Å; L417-A431 HydrophobicContact CD2-CB 4.08Å; L417-M441 HydrophobicContact CB-CE 3.69Å; L417-M441 HydrophobicContact CB-SD 3.71Å; L417-M441 HydrophobicContact CD1-SD 4.3Å; L417-I444 HydrophobicContact CD1-CD1 4.12Å; L417-I444 HydrophobicContact CD1-CG1 4.2Å; L417-V463 HydrophobicContact CD1-CB 4.15Å; L417-V463 HydrophobicContact CD1-CG1 4.33Å; L417-V463 HydrophobicContact CD1-CG2 4.08Å
418	Y	97.3	Very high	95.4	Very high	68 Å²	68	38.9 Å²	38.9	27%	0.267	17%	0.173	S	C	.	.	H	α-helix	trans	-96.5	-36.5	-170.1	-173.5	-86.1	0	0	0	114.3	G414 W415 K421 V485 A487 L492 V495	G414-Y418 VanDerWaalsContact O-CB 3.25Å; G414-Y418 WeakPolarHBondContact O-CB 3.38Å; G414-Y418 PolarHBondContact O-N 3.22Å; W415-Y418 PolarHBondContact O-N 3.12Å; Y418-K421 VanDerWaalsContact C-NZ 3.31Å; Y418-K421 PolarHBondContact O-NZ 3.06Å; Y418-V485 HydrophobicContact CD2-CB 3.98Å; Y418-V485 HydrophobicContact CD2-CG1 3.67Å; Y418-V485 HydrophobicContact CE2-CB 3.68Å; Y418-V485 HydrophobicContact CE2-CG1 3.76Å; Y418-A487 HydrophobicContact CD2-CB 3.82Å; Y418-A487 HydrophobicContact CE2-CB 3.68Å; Y418-L492 HydrophobicContact CE1-CD2 4.39Å; Y418-L492 HydrophobicContact CE2-CD2 3.9Å; Y418-V495 HydrophobicContact CD1-CB 4.45Å; Y418-V495 HydrophobicContact CD1-CG1 3.9Å; Y418-V495 HydrophobicContact CD1-CG2 3.83Å; Y418-V495 HydrophobicContact CE1-CG1 4.38Å; Y418-V495 HydrophobicContact CG-CG2 3.82Å
419	G	94.4	Very high	95.5	Very high	20 Å²	20	42.6 Å²	42.6	21%	0.206	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-50.6	-174.1	0	0	0	0	0	113	W415 K421	W415-G419 VanDerWaalsContact O-CA 3.23Å; W415-G419 WeakPolarHBondContact O-CA 3.43Å; W415-G419 PolarHBondContact O-N 3.29Å; G419-K421 WeakPolarHBondContact O-CG 3.29Å; G419-K421 PolarHBondContact O-NZ 3.01Å
420	E	95.1	Very high	95.5	Very high	44 Å²	44	44 Å²	44	21%	0.206	21%	0.206	C	C	.	.			trans	-63.5	136.4	-177.8	-67	-64	139.4	0	0	113.1	W344 W415 Y416 L427	W344-E420 HydrophobicContact CZ2-CG 3.8Å; W415-E420 PolarHBondContact NE1-OE1 3Å; W415-E420 PolarHBondContact O-N 3.21Å; Y416-E420 HydrophobicContact CD2-CG 4.42Å; E420-L427 HydrophobicContact CB-CB 3.9Å; E420-L427 HydrophobicContact CB-CD2 3.85Å; E420-L427 HydrophobicContact CG-CD2 4.41Å; E420-L427 PolarHBondContact O-N 2.95Å
421	K	95	Very high	95.5	Very high	71 Å²	71	43.2 Å²	43.2	31%	0.309	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.4	-176	-61.6	-65.1	161.8	-68.4	0	113.3	Y418 G419 F425	Y418-K421 VanDerWaalsContact C-NZ 3.31Å; Y418-K421 PolarHBondContact O-NZ 3.06Å; G419-K421 WeakPolarHBondContact O-CG 3.29Å; G419-K421 PolarHBondContact O-NZ 3.01Å; K421-F425 CarbonylContact C-O 3.57Å; K421-F425 WeakPolarHBondContact CA-O 3.29Å; K421-F425 VanDerWaalsContact CD-C 3.49Å; K421-F425 VanDerWaalsContact CD-O 3.3Å; K421-F425 WeakPolarHBondContact CD-O 3.27Å
422	R	93.3	Very high	95.5	Very high	169 Å²	169	44.7 Å²	44.7	64%	0.638	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.6	165.7	-175.2	178.5	-177	-175.5	1.9	109.2	G424 F425 L427	R422-G424 PolarHBondContact O-N 3.04Å; R422-G424 VanDerWaalsContact O-N 3.15Å; R422-F425 PolarHBondContact N-O 2.67Å; R422-F425 PolarHBondContact O-N 3.34Å; R422-L427 HydrophobicContact CB-CD1 4.03Å
423	R	92	Very high	95.5	Very high	219 Å²	219	47.1 Å²	47.1	83%	0.826	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	29.2	-174.9	-56.6	178.2	178.4	180	-1.7	112.9
424	G	92.8	Very high	95.4	Very high	22 Å²	22	47.3 Å²	47.3	23%	0.227	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-2.8	-177.7	0	0	0	0	0	115.9	R422 K483	R422-G424 PolarHBondContact O-N 3.04Å; R422-G424 VanDerWaalsContact O-N 3.15Å; G424-K483 WeakPolarHBondContact O-CB 3.34Å; G424-K483 WeakPolarHBondContact O-CG 3.19Å
425	F	96	Very high	95.4	Very high	60 Å²	60	47.4 Å²	47.4	26%	0.263	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	161.7	172	-65.5	-74.7	0	0	0	111	K421 R422 L427 Y479 L480	K421-F425 CarbonylContact C-O 3.57Å; K421-F425 WeakPolarHBondContact CA-O 3.29Å; K421-F425 VanDerWaalsContact CD-C 3.49Å; K421-F425 VanDerWaalsContact CD-O 3.3Å; K421-F425 WeakPolarHBondContact CD-O 3.27Å; R422-F425 PolarHBondContact N-O 2.67Å; R422-F425 PolarHBondContact O-N 3.34Å; F425-L427 PolarHBondContact O-N 3.48Å; F425-Y479 HydrophobicContact CD1-CD1 4.43Å; F425-Y479 AromaticContact CD1-CE1 3.73Å; F425-Y479 HydrophobicContact CD1-CE1 3.73Å; F425-Y479 AromaticContact CD1-CZ 3.84Å; F425-Y479 HydrophobicContact CE1-CE1 4.34Å; F425-L480 HydrophobicContact CE1-CD2 4.49Å
426	A	96.9	Very high	95.3	Very high	6 Å²	6	47.5 Å²	47.5	5%	0.05	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	133	177	0	0	0	0	0	111.3	N428 A431 N432 L435 Y479	A426-N428 VanDerWaalsContact C-N 3.34Å; A426-N428 PolarHBondContact O-N 3.03Å; A426-A431 HydrophobicContact CB-CB 4.12Å; A426-N432 HydrophobicContact CB-CB 4.34Å; A426-L435 HydrophobicContact CB-CD1 4.03Å; A426-Y479 WeakPolarHBondContact CB-OH 3.34Å; A426-Y479 PolarHBondContact N-OH 3.41Å
427	L	96.7	Very high	95.1	Very high	56 Å²	56	47.4 Å²	47.4	29%	0.293	22%	0.224	S	C	.	.	S	Bend	trans	-64	-41.2	-178.3	178.4	62.2	0	0	0	111.7	Y416 E420 R422 F425	Y416-L427 HydrophobicContact CD2-CD2 4.23Å; Y416-L427 HydrophobicContact CE2-CD2 3.73Å; Y416-L427 HydrophobicContact CE2-CG 4.24Å; E420-L427 HydrophobicContact CB-CB 3.9Å; E420-L427 HydrophobicContact CB-CD2 3.85Å; E420-L427 HydrophobicContact CG-CD2 4.41Å; E420-L427 PolarHBondContact O-N 2.95Å; R422-L427 HydrophobicContact CB-CD1 4.03Å; F425-L427 PolarHBondContact O-N 3.48Å
428	N	97	Very high	94.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-71	126.7	179.2	-177.6	-92.1	0	0	0	111.1	P339 Y416 L417 A426 V430 A431 N432	P339-N428 PolarHBondContact O-ND2 3.01Å; Y416-N428 HydrophobicContact CE1-CB 3.74Å; Y416-N428 PolarHBondContact OH-ND2 2.82Å; L417-N428 HydrophobicContact CD2-CB 4.05Å; A426-N428 VanDerWaalsContact C-N 3.34Å; A426-N428 PolarHBondContact O-N 3.03Å; N428-V430 VanDerWaalsContact C-N 3.34Å; N428-V430 PolarHBondContact O-N 2.98Å; N428-V430 WeakPolarHBondContact OD1-CB 3.23Å; N428-V430 PolarHBondContact OD1-N 3.49Å; N428-V430 VanDerWaalsContact OD1-N 3.09Å; N428-A431 HydrophobicContact CB-CB 3.86Å; N428-A431 PolarHBondContact O-N 3.11Å; N428-A431 PolarHBondContact OD1-N 3.37Å; N428-N432 WeakPolarHBondContact O-CB 3.38Å; N428-N432 PolarHBondContact O-N 3.41Å
429	P	93.3	Very high	94.9	Very high	83 Å²	83	44.2 Å²	44.2	54%	0.539	21%	0.212	S	C	.	.	H	α-helix	trans	-67.2	-32.7	-175.4	25.1	-34.2	0	0	0	113.4	P339 F433	P339-P429 HydrophobicContact CG-CG 4.47Å; P429-F433 WeakPolarHBondContact O-CB 3.46Å; P429-F433 PolarHBondContact O-N 3.31Å
430	V	94.8	Very high	95.1	Very high	32 Å²	32	43.8 Å²	43.8	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-72.7	-42.5	178.5	179.5	0	0	0	0	110.1	P339 N428 N432 F433 H434 Y465	P339-V430 HydrophobicContact CG-CG2 3.7Å; N428-V430 VanDerWaalsContact C-N 3.34Å; N428-V430 PolarHBondContact O-N 2.98Å; N428-V430 WeakPolarHBondContact OD1-CB 3.23Å; N428-V430 PolarHBondContact OD1-N 3.49Å; N428-V430 VanDerWaalsContact OD1-N 3.09Å; V430-N432 PolarHBondContact O-N 3.28Å; V430-F433 WeakPolarHBondContact O-CB 3.27Å; V430-F433 PolarHBondContact O-N 3.17Å; V430-H434 PolarHBondContact O-CD2 2.79Å; V430-H434 VanDerWaalsContact O-CD2 3.22Å; V430-H434 PolarHBondContact O-N 3.22Å; V430-H434 VanDerWaalsContact O-N 3.07Å; V430-Y465 HydrophobicContact CG1-CE2 4.36Å
431	A	97	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.8	-50.4	170.7	0	0	0	0	0	111.3	L417 A426 N428 F433 H434 L435 Y465	L417-A431 HydrophobicContact CD2-CB 4.08Å; A426-A431 HydrophobicContact CB-CB 4.12Å; N428-A431 HydrophobicContact CB-CB 3.86Å; N428-A431 PolarHBondContact O-N 3.11Å; N428-A431 PolarHBondContact OD1-N 3.37Å; A431-F433 VanDerWaalsContact C-N 3.27Å; A431-F433 PolarHBondContact O-N 3.05Å; A431-H434 PolarHBondContact O-N 3.36Å; A431-L435 HydrophobicContact CB-CD1 4.45Å; A431-L435 WeakPolarHBondContact O-CB 3.49Å; A431-L435 WeakPolarHBondContact O-CG 3.07Å; A431-L435 PolarHBondContact O-N 3.1Å; A431-Y465 WeakPolarHBondContact CA-OH 3.39Å; A431-Y465 HydrophobicContact CB-CE1 4.34Å; A431-Y465 WeakPolarHBondContact CB-OH 3.35Å
432	N	95.3	Very high	95.4	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	19%	0.192	C	C	.	.	H	α-helix	trans	-56.5	-43.1	177.8	-178.5	64.9	0	0	0	111.7	A426 N428 V430 Q436 Y479	A426-N432 HydrophobicContact CB-CB 4.34Å; N428-N432 WeakPolarHBondContact O-CB 3.38Å; N428-N432 PolarHBondContact O-N 3.41Å; V430-N432 PolarHBondContact O-N 3.28Å; N432-Q436 PolarHBondContact ND2-NE2 2.98Å; N432-Q436 WeakPolarHBondContact O-CB 3.43Å; N432-Q436 WeakPolarHBondContact O-CG 3.47Å; N432-Q436 PolarHBondContact O-N 3.37Å; N432-Q436 PolarHBondContact OD1-NE2 2.85Å; N432-Y479 WeakPolarHBondContact OD1-CE1 3.42Å; N432-Y479 PolarHBondContact OD1-OH 3Å
433	F	93.3	Very high	95.7	Very high	53 Å²	53	36.1 Å²	36.1	23%	0.232	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-50.9	176.5	172.4	-95.6	0	0	0	112.9	I298 I315 P429 V430 A431 N437	I298-F433 HydrophobicContact CD1-CE1 3.8Å; I298-F433 HydrophobicContact CD1-CZ 4.39Å; I315-F433 HydrophobicContact CD1-CE1 4.09Å; I315-F433 HydrophobicContact CD1-CZ 4.36Å; P429-F433 WeakPolarHBondContact O-CB 3.46Å; P429-F433 PolarHBondContact O-N 3.31Å; V430-F433 WeakPolarHBondContact O-CB 3.27Å; V430-F433 PolarHBondContact O-N 3.17Å; A431-F433 VanDerWaalsContact C-N 3.27Å; A431-F433 PolarHBondContact O-N 3.05Å; F433-N437 PolarHBondContact O-N 3Å; F433-N437 PolarHBondContact O-ND2 3.08Å
434	H	95.6	Very high	96	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-69.8	-36.7	-177.9	-75.2	-75.3	0	0	0	112.7	S336 V430 A431 N437 G438 A439 Y465 Y467	S336-H434 PolarHBondContact OG-NE2 3.29Å; V430-H434 PolarHBondContact O-CD2 2.79Å; V430-H434 VanDerWaalsContact O-CD2 3.22Å; V430-H434 PolarHBondContact O-N 3.22Å; V430-H434 VanDerWaalsContact O-N 3.07Å; A431-H434 PolarHBondContact O-N 3.36Å; H434-N437 CarbonylContact O-C 3.57Å; H434-N437 WeakPolarHBondContact O-CA 3.31Å; H434-N437 VanDerWaalsContact O-CB 3.31Å; H434-N437 WeakPolarHBondContact O-CB 3.48Å; H434-N437 PolarHBondContact O-N 3.02Å; H434-N437 VanDerWaalsContact O-N 3.09Å; H434-G438 PolarHBondContact O-N 3.38Å; H434-A439 HydrophobicContact CB-CB 4.07Å; H434-A439 VanDerWaalsContact O-CB 3.25Å; H434-A439 WeakPolarHBondContact O-CB 3.38Å; H434-A439 PolarHBondContact O-N 2.95Å; H434-Y465 HydrophobicContact CB-CD1 3.76Å; H434-Y465 HydrophobicContact CB-CD2 3.7Å; H434-Y465 HydrophobicContact CB-CE1 4.32Å; H434-Y465 HydrophobicContact CB-CE2 4.25Å; H434-Y465 HydrophobicContact CB-CG 3.44Å; H434-Y465 VanDerWaalsContact CB-CG 3.44Å; H434-Y465 AromaticContact CD2-CD2 3.23Å; H434-Y465 WeakPolarHBondContact CD2-CD2 3.46Å; H434-Y465 AromaticContact CD2-CE2 3.6Å; H434-Y465 AromaticContact CD2-CG 3.92Å; H434-Y465 AromaticContact CG-CD2 3.42Å; H434-Y465 VanDerWaalsContact CG-CD2 3.42Å; H434-Y465 AromaticContact CG-CG 3.61Å; H434-Y465 AromaticContact NE2-CD2 3.89Å; H434-Y467 AromaticContact ND1-CE2 3.97Å; H434-Y467 AromaticContact ND1-CZ 3.73Å; H434-Y467 PolarHBondContact ND1-OH 3.39Å
435	L	96.3	Very high	96.2	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-38.1	178	-66	170.8	0	0	0	112.1	A426 A431 N437 G438 M441 Y479 V485	A426-L435 HydrophobicContact CB-CD1 4.03Å; A431-L435 HydrophobicContact CB-CD1 4.45Å; A431-L435 WeakPolarHBondContact O-CB 3.49Å; A431-L435 WeakPolarHBondContact O-CG 3.07Å; A431-L435 PolarHBondContact O-N 3.1Å; L435-N437 PolarHBondContact O-N 2.76Å; L435-G438 PolarHBondContact O-N 3.25Å; L435-M441 HydrophobicContact CD1-CE 4.29Å; L435-Y479 HydrophobicContact CB-CD1 3.9Å; L435-Y479 HydrophobicContact CB-CD2 3.75Å; L435-Y479 HydrophobicContact CB-CE1 3.88Å; L435-Y479 HydrophobicContact CB-CE2 3.72Å; L435-Y479 HydrophobicContact CB-CG 3.83Å; L435-Y479 HydrophobicContact CD1-CD2 4.2Å; L435-Y479 HydrophobicContact CD1-CE2 3.65Å; L435-Y479 HydrophobicContact CG-CD2 4.49Å; L435-Y479 HydrophobicContact CG-CE2 4.3Å; L435-V485 HydrophobicContact CD1-CG1 3.91Å; L435-V485 HydrophobicContact CD1-CG2 4.04Å; L435-V485 HydrophobicContact CD2-CG1 3.78Å
436	Q	93.8	Very high	96.3	Very high	45 Å²	45	24.3 Å²	24.3	21%	0.21	12%	0.121	C	C	.	.	H	α-helix	trans	-57.7	-29.3	169.6	-74.9	179.2	-7.9	0	0	111.8	N432 G438 S476 Y479 L480	N432-Q436 PolarHBondContact ND2-NE2 2.98Å; N432-Q436 WeakPolarHBondContact O-CB 3.43Å; N432-Q436 WeakPolarHBondContact O-CG 3.47Å; N432-Q436 PolarHBondContact O-N 3.37Å; N432-Q436 PolarHBondContact OD1-NE2 2.85Å; Q436-G438 VanDerWaalsContact C-N 3.28Å; Q436-G438 PolarHBondContact O-N 3.09Å; Q436-S476 WeakPolarHBondContact O-CB 3.43Å; Q436-S476 PolarHBondContact O-OG 3.33Å; Q436-Y479 HydrophobicContact CG-CD1 3.91Å; Q436-Y479 HydrophobicContact CG-CE1 3.66Å; Q436-L480 HydrophobicContact CG-CD2 3.96Å
437	N	92.9	Very high	96.2	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	2.4	176.2	-78.5	-61.3	0	0	0	115.6	N312 F433 H434 L435 A439 Y467	N312-N437 WeakPolarHBondContact CA-OD1 3.34Å; N312-N437 WeakPolarHBondContact CB-OD1 3.5Å; N312-N437 PolarHBondContact O-OD1 3.15Å; N312-N437 VanDerWaalsContact OD1-CG 3.24Å; N312-N437 PolarHBondContact OD1-ND2 3.49Å; N312-N437 PolarHBondContact OD1-OD1 2.98Å; F433-N437 PolarHBondContact O-N 3Å; F433-N437 PolarHBondContact O-ND2 3.08Å; H434-N437 CarbonylContact O-C 3.57Å; H434-N437 WeakPolarHBondContact O-CA 3.31Å; H434-N437 VanDerWaalsContact O-CB 3.31Å; H434-N437 WeakPolarHBondContact O-CB 3.48Å; H434-N437 PolarHBondContact O-N 3.02Å; H434-N437 VanDerWaalsContact O-N 3.09Å; L435-N437 PolarHBondContact O-N 2.76Å; N437-A439 VanDerWaalsContact C-N 3.27Å; N437-A439 PolarHBondContact O-N 3.27Å; N437-Y467 HydrophobicContact CB-CE1 3.85Å
438	G	94.7	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	19.5	179.9	0	0	0	0	0	114	H434 L435 Q436 T472 N475	H434-G438 PolarHBondContact O-N 3.38Å; L435-G438 PolarHBondContact O-N 3.25Å; Q436-G438 VanDerWaalsContact C-N 3.28Å; Q436-G438 PolarHBondContact O-N 3.09Å; G438-T472 VanDerWaalsContact CA-O 3.31Å; G438-T472 WeakPolarHBondContact CA-O 3.39Å; G438-N475 WeakPolarHBondContact O-CB 3.34Å; G438-N475 PolarHBondContact O-ND2 3.05Å
439	A	96.9	Very high	96.1	Very high	1 Å²	1	27 Å²	27	1%	0.008	13%	0.126	C	C	.	.			trans	-69.8	149.2	169	0	0	0	0	0	110.4	H434 N437 R466 Y467	H434-A439 HydrophobicContact CB-CB 4.07Å; H434-A439 VanDerWaalsContact O-CB 3.25Å; H434-A439 WeakPolarHBondContact O-CB 3.38Å; H434-A439 PolarHBondContact O-N 2.95Å; N437-A439 VanDerWaalsContact C-N 3.27Å; N437-A439 PolarHBondContact O-N 3.27Å; A439-R466 WeakPolarHBondContact CA-O 3.5Å; A439-Y467 HydrophobicContact CB-CD1 3.92Å; A439-Y467 HydrophobicContact CB-CD2 4.42Å; A439-Y467 HydrophobicContact CB-CE1 3.56Å; A439-Y467 HydrophobicContact CB-CE2 4.13Å; A439-Y467 HydrophobicContact CB-CG 4.35Å
440	T	98.4	Very high	96.1	Very high	12 Å²	12	26.1 Å²	26.1	7%	0.074	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.5	169.5	-59.4	0	0	0	0	108.8	W442 Y465 R466 F468 N475 A486	T440-W442 PolarHBondContact O-N 3.06Å; T440-Y465 CarbonylContact O-C 3.46Å; T440-Y465 WeakPolarHBondContact O-CA 3.35Å; T440-R466 PolarHBondContact N-O 3.47Å; T440-R466 PolarHBondContact O-N 2.86Å; T440-F468 HydrophobicContact CG2-CE2 4.39Å; T440-N475 PolarHBondContact OG1-ND2 3.18Å; T440-A486 HydrophobicContact CG2-CB 4.32Å
441	M	98.5	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	97.9	169.8	-170.9	-177.3	-64.3	0	0	108.6	L417 L435 V463 Y465 V485 A486 A487 S488 V491	L417-M441 HydrophobicContact CB-CE 3.69Å; L417-M441 HydrophobicContact CB-SD 3.71Å; L417-M441 HydrophobicContact CD1-SD 4.3Å; L435-M441 HydrophobicContact CD1-CE 4.29Å; M441-V463 HydrophobicContact CG-CG2 4.17Å; M441-Y465 HydrophobicContact CB-CD1 4.31Å; M441-Y465 HydrophobicContact CB-CE1 4.2Å; M441-Y465 HydrophobicContact CE-CE1 4.14Å; M441-Y465 HydrophobicContact CG-CD1 4.47Å; M441-Y465 HydrophobicContact CG-CE1 4.01Å; M441-V485 HydrophobicContact CE-CG1 4.16Å; M441-A486 PolarHBondContact N-O 3.15Å; M441-A487 HydrophobicContact CB-CB 4.24Å; M441-A487 CarbonylContact O-C 3.4Å; M441-A487 VanDerWaalsContact O-CA 3.29Å; M441-A487 WeakPolarHBondContact O-CA 3.23Å; M441-S488 PolarHBondContact O-N 2.85Å; M441-V491 HydrophobicContact CG-CG1 4.23Å; M441-V491 HydrophobicContact CG-CG2 4.17Å; M441-V491 HydrophobicContact SD-CG1 3.69Å
442	W	98.5	Very high	95.8	Very high	60 Å²	60	31.4 Å²	31.4	23%	0.227	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-44.2	-156.9	-173.5	73.8	0	0	0	113.7	I267 T440 N464 R466 S488	I267-W442 HydrophobicContact CB-CZ3 4.19Å; I267-W442 HydrophobicContact CD1-CE3 4.2Å; I267-W442 HydrophobicContact CD1-CH2 3.93Å; I267-W442 HydrophobicContact CD1-CZ2 4.4Å; I267-W442 HydrophobicContact CD1-CZ3 3.81Å; I267-W442 HydrophobicContact CG2-CE3 4.33Å; I267-W442 HydrophobicContact CG2-CZ3 3.87Å; T440-W442 PolarHBondContact O-N 3.06Å; W442-N464 WeakPolarHBondContact CB-O 3.48Å; W442-N464 HydrophobicContact CE3-CB 4.08Å; W442-N464 PolarHBondContact N-O 3.18Å; W442-R466 HydrophobicContact CB-CB 3.55Å; W442-R466 HydrophobicContact CD2-CB 4.28Å; W442-R466 HydrophobicContact CG-CB 3.67Å; W442-R466 HydrophobicContact CG-CG 4.44Å; W442-S488 WeakPolarHBondContact O-CB 2.97Å; W442-S488 PolarHBondContact O-OG 2.98Å
443	R	98.5	Very high	95.5	Very high	63 Å²	63	35.1 Å²	35.1	24%	0.238	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	132	179.8	-168.2	174.4	62.1	-165.8	-6.7	111.1	I267 S268 N445 V463 N464	I267-R443 PolarHBondContact O-NH2 3.16Å; S268-R443 PolarHBondContact O-NH2 3.18Å; R443-N445 WeakPolarHBondContact CG-OD1 3.44Å; R443-N445 PolarHBondContact NE-OD1 3.18Å; R443-V463 CarbonylContact O-C 3.58Å; R443-V463 WeakPolarHBondContact O-CA 3.48Å; R443-V463 WeakPolarHBondContact O-CG2 3.21Å; R443-N464 HydrophobicContact CB-CB 4.24Å; R443-N464 PolarHBondContact N-O 3.24Å; R443-N464 PolarHBondContact NE-OD1 3.41Å; R443-N464 PolarHBondContact NH2-OD1 3.03Å; R443-N464 VanDerWaalsContact NH2-OD1 3.14Å; R443-N464 PolarHBondContact O-N 3.03Å
444	I	98.4	Very high	95.5	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.4	168.3	-59.9	170.6	0	0	0	107.2	M410 L417 I461 V463 Q490 V491 L494	M410-I444 HydrophobicContact CE-CB 3.96Å; M410-I444 HydrophobicContact CE-CG2 3.62Å; M410-I444 VanDerWaalsContact CE-O 3.32Å; M410-I444 WeakPolarHBondContact CE-O 3.35Å; M410-I444 HydrophobicContact SD-CG2 3.7Å; L417-I444 HydrophobicContact CD1-CD1 4.12Å; L417-I444 HydrophobicContact CD1-CG1 4.2Å; I444-I461 HydrophobicContact CG2-CG2 3.36Å; I444-V463 HydrophobicContact CG1-CG2 4.31Å; I444-Q490 PolarHBondContact O-NE2 3.42Å; I444-V491 HydrophobicContact CD1-CG2 4.33Å; I444-V491 HydrophobicContact CG1-CG2 4.22Å; I444-L494 HydrophobicContact CB-CD1 4.44Å; I444-L494 HydrophobicContact CD1-CD1 3.91Å
445	N	98.3	Very high	95.4	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.9	-171.5	-55	-40.1	0	0	0	110.2	D269 L335 R443 A448 I461 M462 N464	D269-N445 HydrophobicContact CB-CB 4.37Å; D269-N445 WeakPolarHBondContact O-CB 3.48Å; L335-N445 WeakPolarHBondContact CD1-ND2 3.47Å; R443-N445 WeakPolarHBondContact CG-OD1 3.44Å; R443-N445 PolarHBondContact NE-OD1 3.18Å; N445-A448 HydrophobicContact CB-CB 3.68Å; N445-I461 WeakPolarHBondContact O-CA 3.34Å; N445-I461 WeakPolarHBondContact O-CG2 3.31Å; N445-M462 PolarHBondContact N-O 3.39Å; N445-M462 PolarHBondContact O-N 3.34Å; N445-M462 VanDerWaalsContact O-N 3.14Å; N445-N464 PolarHBondContact ND2-OD1 3.42Å; N445-N464 PolarHBondContact OD1-OD1 3.13Å
446	W	97.3	Very high	95.2	Very high	42 Å²	42	36.3 Å²	36.3	16%	0.159	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	140.8	174.8	179.6	-122.5	0	0	0	111.3	W395 E406 L409 M410 A448 I461	W395-W446 AromaticContact CH2-CH2 3.31Å; W395-W446 HydrophobicContact CH2-CH2 3.31Å; W395-W446 AromaticContact CH2-CZ2 3.78Å; W395-W446 HydrophobicContact CH2-CZ2 3.78Å; W395-W446 HydrophobicContact CH2-CZ3 4.1Å; W395-W446 HydrophobicContact CZ2-CH2 4.34Å; W395-W446 AromaticContact CZ3-CH2 3.43Å; W395-W446 HydrophobicContact CZ3-CH2 3.43Å; W395-W446 VanDerWaalsContact CZ3-CH2 3.43Å; W395-W446 AromaticContact CZ3-CZ2 3.53Å; W395-W446 HydrophobicContact CZ3-CZ2 3.53Å; E406-W446 HydrophobicContact CB-CD2 4.06Å; E406-W446 HydrophobicContact CB-CH2 4.31Å; E406-W446 HydrophobicContact CB-CZ2 3.74Å; E406-W446 VanDerWaalsContact CD-NE1 3.28Å; E406-W446 HydrophobicContact CG-CB 4.39Å; E406-W446 HydrophobicContact CG-CD2 3.72Å; E406-W446 HydrophobicContact CG-CE3 4.33Å; E406-W446 HydrophobicContact CG-CG 3.74Å; E406-W446 HydrophobicContact CG-CZ2 4.35Å; E406-W446 VanDerWaalsContact OE1-CD1 3.29Å; E406-W446 PolarHBondContact OE2-NE1 2.87Å; L409-W446 HydrophobicContact CB-CZ3 3.95Å; L409-W446 HydrophobicContact CD1-CH2 3.81Å; L409-W446 HydrophobicContact CD1-CZ3 3.89Å; M410-W446 HydrophobicContact CE-CB 4.35Å; M410-W446 HydrophobicContact CG-CB 4.47Å; M410-W446 HydrophobicContact CG-CE3 4.14Å; M410-W446 HydrophobicContact SD-CB 3.89Å; M410-W446 HydrophobicContact SD-CE3 4.12Å; W446-A448 PolarHBondContact O-N 2.88Å; W446-I461 HydrophobicContact CE3-CD1 4.04Å; W446-I461 HydrophobicContact CE3-CG1 3.77Å; W446-I461 HydrophobicContact CZ3-CD1 4.02Å; W446-I461 HydrophobicContact CZ3-CG1 3.99Å
447	R	94.6	Very high	95.1	Very high	108 Å²	108	36.6 Å²	36.6	41%	0.408	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	32	-179.4	-62.1	-178.8	76.5	-178.1	7.5	114.4	N270 D449 T450 G460	N270-R447 PolarHBondContact ND2-O 3.42Å; R447-D449 VanDerWaalsContact C-N 3.34Å; R447-T450 HydrophobicContact CB-CG2 4.19Å; R447-G460 CarbonylContact C-O 3.57Å; R447-G460 WeakPolarHBondContact CA-O 3.32Å
448	A	96.5	Very high	95.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-68.7	-31	178	0	0	0	0	0	113.3	D269 N270 I271 Q272 N445 W446 G460 M462	D269-A448 WeakPolarHBondContact O-CB 3.48Å; N270-A448 PolarHBondContact ND2-O 2.82Å; I271-A448 WeakPolarHBondContact CG2-O 3.4Å; I271-A448 PolarHBondContact N-O 3.26Å; Q272-A448 PolarHBondContact OE1-O 2.62Å; Q272-A448 VanDerWaalsContact OE1-O 3.08Å; N445-A448 HydrophobicContact CB-CB 3.68Å; W446-A448 PolarHBondContact O-N 2.88Å; A448-G460 PolarHBondContact N-O 3.41Å; A448-M462 HydrophobicContact CB-CB 3.5Å; A448-M462 VanDerWaalsContact CB-CB 3.5Å; A448-M462 HydrophobicContact CB-CG 3.61Å; A448-M462 HydrophobicContact CB-SD 4.04Å
449	D	95.6	Very high	95.3	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	19%	0.188	C	C	.	.			trans	-130.5	93.8	171.7	-174.8	7.1	0	0	0	112	H225 I271 Q272 R447 S451 G454 G460 M462	H225-D449 IonicContact CE1-OD2 3.2Å; I271-D449 HydrophobicContact CG2-CB 3.75Å; Q272-D449 PolarHBondContact NE2-OD1 2.78Å; R447-D449 VanDerWaalsContact C-N 3.34Å; D449-S451 VanDerWaalsContact CG-OG 3.25Å; D449-S451 PolarHBondContact O-N 3.35Å; D449-S451 WeakPolarHBondContact OD1-CB 3.3Å; D449-S451 PolarHBondContact OD1-N 3.04Å; D449-S451 PolarHBondContact OD1-OG 3.35Å; D449-S451 PolarHBondContact OD2-OG 3.5Å; D449-S451 VanDerWaalsContact OD2-OG 3.11Å; D449-G454 VanDerWaalsContact OD2-CA 3.28Å; D449-G454 WeakPolarHBondContact OD2-CA 3.34Å; D449-G460 PolarHBondContact N-O 2.93Å; D449-G460 WeakPolarHBondContact O-CA 3.24Å; D449-M462 HydrophobicContact CB-CG 3.99Å; D449-M462 HydrophobicContact CB-SD 3.74Å
450	T	93.7	Very high	95.2	Very high	66 Å²	66	36.4 Å²	36.4	41%	0.405	19%	0.188	S	C	.	.			trans	-81.5	8.5	176.7	56.2	0	0	0	0	114.1	Q272 R447	Q272-T450 VanDerWaalsContact NE2-N 3.11Å; R447-T450 HydrophobicContact CB-CG2 4.19Å
451	S	92.2	Very high	95.2	Very high	28 Å²	28	35.9 Å²	35.9	20%	0.196	19%	0.185	C	C	.	.	S	Bend	trans	-66.6	154.9	172.5	74.2	0	0	0	0	111.1	D449 R453 G454 V455	D449-S451 VanDerWaalsContact CG-OG 3.25Å; D449-S451 PolarHBondContact O-N 3.35Å; D449-S451 WeakPolarHBondContact OD1-CB 3.3Å; D449-S451 PolarHBondContact OD1-N 3.04Å; D449-S451 PolarHBondContact OD1-OG 3.35Å; D449-S451 PolarHBondContact OD2-OG 3.5Å; D449-S451 VanDerWaalsContact OD2-OG 3.11Å; S451-R453 PolarHBondContact O-N 3Å; S451-R453 VanDerWaalsContact O-N 3.11Å; S451-G454 PolarHBondContact O-N 3.31Å; S451-G454 PolarHBondContact OG-N 3.34Å; S451-G454 VanDerWaalsContact OG-N 3.08Å; S451-V455 WeakPolarHBondContact O-CG2 3.42Å; S451-V455 PolarHBondContact O-N 2.61Å
452	P	91.7	Very high	95.1	Very high	115 Å²	115	35.9 Å²	35.9	75%	0.747	19%	0.185	S	C	*	.	H	α-helix	trans	-52.8	-35.8	175.2	-27.9	35.3	0	0	0	113	A456	P452-A456 VanDerWaalsContact O-CB 3.25Å; P452-A456 WeakPolarHBondContact O-CB 3.24Å; P452-A456 PolarHBondContact O-N 3.04Å
453	R	90.8	Very high	95.1	Very high	110 Å²	110	33 Å²	33	42%	0.415	17%	0.174	S	C	.	.	H	α-helix	trans	-69.3	-43.9	176.7	-172.6	176.8	-172.7	-167.7	1.6	112.3	A223 V224 S451 A456 N457	A223-R453 PolarHBondContact O-NH1 3.04Å; A223-R453 PolarHBondContact O-NH2 2.76Å; V224-R453 PolarHBondContact O-NH1 3.03Å; S451-R453 PolarHBondContact O-N 3Å; S451-R453 VanDerWaalsContact O-N 3.11Å; R453-A456 PolarHBondContact O-N 3.05Å; R453-N457 VanDerWaalsContact O-CB 3.28Å; R453-N457 WeakPolarHBondContact O-CB 3.31Å; R453-N457 PolarHBondContact O-N 2.91Å; R453-N457 PolarHBondContact O-ND2 3.05Å
454	G	92.6	Very high	95.2	Very high	2 Å²	2	30 Å²	30	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-44.3	176.8	0	0	0	0	0	112.4	D449 S451 N457 S458 G460	D449-G454 VanDerWaalsContact OD2-CA 3.28Å; D449-G454 WeakPolarHBondContact OD2-CA 3.34Å; S451-G454 PolarHBondContact O-N 3.31Å; S451-G454 PolarHBondContact OG-N 3.34Å; S451-G454 VanDerWaalsContact OG-N 3.08Å; G454-N457 PolarHBondContact O-N 3.48Å; G454-S458 PolarHBondContact O-N 3.28Å; G454-S458 PolarHBondContact O-OG 3.37Å; G454-G460 PolarHBondContact O-N 3.34Å
455	V	93.4	Very high	95.1	Very high	19 Å²	19	29.9 Å²	29.9	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-47	175.5	177.7	0	0	0	0	111.2	C342 T396 S451 N457 C459	C342-V455 PolarHBondContact SG-O 3.09Å; T396-V455 HydrophobicContact CG2-CG1 4.02Å; T396-V455 HydrophobicContact CG2-CG2 4.08Å; S451-V455 WeakPolarHBondContact O-CG2 3.42Å; S451-V455 PolarHBondContact O-N 2.61Å; V455-N457 PolarHBondContact O-N 3.26Å; V455-C459 WeakPolarHBondContact O-CA 3.35Å; V455-C459 PolarHBondContact O-N 3.45Å
456	A	92.1	Very high	95.1	Very high	64 Å²	64	31.6 Å²	31.6	53%	0.529	17%	0.168	S	C	.	.	H	α-helix	trans	-66.1	-34.2	179.6	0	0	0	0	0	113.5	C342 P452 R453	C342-A456 WeakPolarHBondContact CB-O 3.29Å; C342-A456 PolarHBondContact SG-O 3.47Å; C342-A456 VanDerWaalsContact SG-O 3.36Å; P452-A456 VanDerWaalsContact O-CB 3.25Å; P452-A456 WeakPolarHBondContact O-CB 3.24Å; P452-A456 PolarHBondContact O-N 3.04Å; R453-A456 PolarHBondContact O-N 3.05Å
457	N	91.4	Very high	95.1	Very high	51 Å²	51	30 Å²	30	27%	0.273	16%	0.162	S	C	.	.	H	α-helix	trans	-80.1	-44.5	-177.6	-77	-20.3	0	0	0	113.1	F341 C342 R453 G454 V455	F341-N457 PolarHBondContact N-O 3.2Å; C342-N457 PolarHBondContact N-O 3.1Å; R453-N457 VanDerWaalsContact O-CB 3.28Å; R453-N457 WeakPolarHBondContact O-CB 3.31Å; R453-N457 PolarHBondContact O-N 2.91Å; R453-N457 PolarHBondContact O-ND2 3.05Å; G454-N457 PolarHBondContact O-N 3.48Å; V455-N457 PolarHBondContact O-N 3.26Å
458	S	95.7	Very high	95.1	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-147.7	26.6	-167	56.3	0	0	0	0	115.1	I338 C342 G454 G460 I461	I338-S458 WeakPolarHBondContact O-CB 3.49Å; C342-S458 PolarHBondContact SG-N 3.38Å; C342-S458 VanDerWaalsContact SG-N 3.44Å; G454-S458 PolarHBondContact O-N 3.28Å; G454-S458 PolarHBondContact O-OG 3.37Å; S458-G460 PolarHBondContact O-N 2.91Å; S458-G460 VanDerWaalsContact O-N 3.12Å; S458-I461 WeakPolarHBondContact CB-O 3.33Å; S458-I461 VanDerWaalsContact O-CB 3.27Å; S458-I461 WeakPolarHBondContact O-CB 3.41Å; S458-I461 WeakPolarHBondContact O-CG1 3.4Å; S458-I461 PolarHBondContact O-N 2.88Å; S458-I461 PolarHBondContact OG-O 2.98Å
459	C	95.3	Very high	94.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.4	-175.5	-61.7	0	0	0	0	112.8	C342 W395 L409 V455 I461	C342-C459 PolarHBondContact SG-N 2.9Å; C342-C459 PolarHBondContact SG-SG 3.22Å; W395-C459 HydrophobicContact CH2-CB 4.49Å; W395-C459 WeakPolarHBondContact CH2-O 3.47Å; W395-C459 HydrophobicContact CZ2-CB 3.8Å; W395-C459 WeakPolarHBondContact CZ2-O 3.47Å; L409-C459 HydrophobicContact CD1-CB 3.97Å; V455-C459 WeakPolarHBondContact O-CA 3.35Å; V455-C459 PolarHBondContact O-N 3.45Å; C459-I461 PolarHBondContact O-N 3.48Å
460	G	95.1	Very high	94.8	Very high	2 Å²	2	38 Å²	38	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	9.7	-176.2	0	0	0	0	0	114.7	R447 A448 D449 G454 S458	R447-G460 CarbonylContact C-O 3.57Å; R447-G460 WeakPolarHBondContact CA-O 3.32Å; A448-G460 PolarHBondContact N-O 3.41Å; D449-G460 PolarHBondContact N-O 2.93Å; D449-G460 WeakPolarHBondContact O-CA 3.24Å; G454-G460 PolarHBondContact O-N 3.34Å; S458-G460 PolarHBondContact O-N 2.91Å; S458-G460 VanDerWaalsContact O-N 3.12Å
461	I	98.1	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.			trans	-81.7	135.2	175.1	-54.9	176.1	0	0	0	109.5	I338 F341 L409 M410 C413 I444 N445 W446 S458 C459	I338-I461 HydrophobicContact CD1-CB 4.3Å; I338-I461 HydrophobicContact CD1-CG2 3.8Å; F341-I461 HydrophobicContact CE1-CD1 4.21Å; L409-I461 HydrophobicContact CB-CD1 4.07Å; M410-I461 HydrophobicContact SD-CD1 4.08Å; M410-I461 HydrophobicContact SD-CG1 4.33Å; M410-I461 HydrophobicContact SD-CG2 4.16Å; C413-I461 HydrophobicContact CB-CD1 4Å; I444-I461 HydrophobicContact CG2-CG2 3.36Å; N445-I461 WeakPolarHBondContact O-CA 3.34Å; N445-I461 WeakPolarHBondContact O-CG2 3.31Å; W446-I461 HydrophobicContact CE3-CD1 4.04Å; W446-I461 HydrophobicContact CE3-CG1 3.77Å; W446-I461 HydrophobicContact CZ3-CD1 4.02Å; W446-I461 HydrophobicContact CZ3-CG1 3.99Å; S458-I461 WeakPolarHBondContact CB-O 3.33Å; S458-I461 VanDerWaalsContact O-CB 3.27Å; S458-I461 WeakPolarHBondContact O-CB 3.41Å; S458-I461 WeakPolarHBondContact O-CG1 3.4Å; S458-I461 PolarHBondContact O-N 2.88Å; S458-I461 PolarHBondContact OG-O 2.98Å; C459-I461 PolarHBondContact O-N 3.48Å
462	M	98.3	Very high	94.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	171	167.9	-61.9	-174.8	80.2	0	0	110.1	I271 L335 S336 N445 A448 D449	I271-M462 HydrophobicContact CB-SD 3.92Å; I271-M462 HydrophobicContact CG2-SD 4.1Å; L335-M462 HydrophobicContact CD1-CB 3.89Å; L335-M462 HydrophobicContact CD1-CE 4.42Å; L335-M462 HydrophobicContact CD1-SD 4.17Å; L335-M462 HydrophobicContact CD2-SD 4.34Å; L335-M462 HydrophobicContact CG-CE 3.85Å; L335-M462 HydrophobicContact CG-SD 3.96Å; L335-M462 VanDerWaalsContact O-CE 3.29Å; L335-M462 WeakPolarHBondContact O-CE 3.33Å; S336-M462 VanDerWaalsContact C-CE 3.49Å; S336-M462 WeakPolarHBondContact O-CA 3.33Å; S336-M462 WeakPolarHBondContact O-CB 3.36Å; N445-M462 PolarHBondContact N-O 3.39Å; N445-M462 PolarHBondContact O-N 3.34Å; N445-M462 VanDerWaalsContact O-N 3.14Å; A448-M462 HydrophobicContact CB-CB 3.5Å; A448-M462 VanDerWaalsContact CB-CB 3.5Å; A448-M462 HydrophobicContact CB-CG 3.61Å; A448-M462 HydrophobicContact CB-SD 4.04Å; D449-M462 HydrophobicContact CB-CG 3.99Å; D449-M462 HydrophobicContact CB-SD 3.74Å
463	V	98.5	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.2	-178.4	57.7	0	0	0	0	110.8	S336 I338 L417 M441 R443 I444 Y465	S336-V463 PolarHBondContact N-O 2.77Å; S336-V463 PolarHBondContact O-N 3.36Å; I338-V463 HydrophobicContact CD1-CB 4.14Å; I338-V463 HydrophobicContact CD1-CG1 4.09Å; I338-V463 HydrophobicContact CG1-CB 4.37Å; I338-V463 HydrophobicContact CG1-CG1 3.77Å; L417-V463 HydrophobicContact CD1-CB 4.15Å; L417-V463 HydrophobicContact CD1-CG1 4.33Å; L417-V463 HydrophobicContact CD1-CG2 4.08Å; M441-V463 HydrophobicContact CG-CG2 4.17Å; R443-V463 CarbonylContact O-C 3.58Å; R443-V463 WeakPolarHBondContact O-CA 3.48Å; R443-V463 WeakPolarHBondContact O-CG2 3.21Å; I444-V463 HydrophobicContact CG1-CG2 4.31Å; V463-Y465 HydrophobicContact CB-CE2 4.42Å; V463-Y465 HydrophobicContact CG1-CD2 4.14Å; V463-Y465 HydrophobicContact CG1-CE2 3.32Å; V463-Y465 WeakPolarHBondContact CG1-OH 3.38Å; V463-Y465 HydrophobicContact CG2-CE1 4.28Å; V463-Y465 HydrophobicContact CG2-CE2 4.3Å
464	N	98.7	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.5	169.5	-65.3	121.6	0	0	0	110	I267 S268 S334 W442 R443 N445	I267-N464 HydrophobicContact CG2-CB 4.44Å; S268-N464 PolarHBondContact O-ND2 3.37Å; S268-N464 PolarHBondContact O-OD1 3.01Å; S334-N464 VanDerWaalsContact O-CA 3.27Å; S334-N464 WeakPolarHBondContact O-CA 3.45Å; S334-N464 PolarHBondContact O-ND2 3.38Å; W442-N464 WeakPolarHBondContact CB-O 3.48Å; W442-N464 HydrophobicContact CE3-CB 4.08Å; W442-N464 PolarHBondContact N-O 3.18Å; R443-N464 HydrophobicContact CB-CB 4.24Å; R443-N464 PolarHBondContact N-O 3.24Å; R443-N464 PolarHBondContact NE-OD1 3.41Å; R443-N464 PolarHBondContact NH2-OD1 3.03Å; R443-N464 VanDerWaalsContact NH2-OD1 3.14Å; R443-N464 PolarHBondContact O-N 3.03Å; N445-N464 PolarHBondContact ND2-OD1 3.42Å; N445-N464 PolarHBondContact OD1-OD1 3.13Å
465	Y	98.3	Very high	95.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.6	165.4	-61.3	-78.5	0	0	0	109	S333 S334 V430 A431 H434 T440 M441 V463	S333-Y465 CarbonylContact C-O 3.5Å; S333-Y465 WeakPolarHBondContact CA-O 3.36Å; S333-Y465 PolarHBondContact OG-O 3.28Å; S334-Y465 PolarHBondContact N-O 3.36Å; S334-Y465 WeakPolarHBondContact OG-CB 3.33Å; S334-Y465 WeakPolarHBondContact OG-CD2 3.32Å; S334-Y465 PolarHBondContact OG-N 3.24Å; V430-Y465 HydrophobicContact CG1-CE2 4.36Å; A431-Y465 WeakPolarHBondContact CA-OH 3.39Å; A431-Y465 HydrophobicContact CB-CE1 4.34Å; A431-Y465 WeakPolarHBondContact CB-OH 3.35Å; H434-Y465 HydrophobicContact CB-CD1 3.76Å; H434-Y465 HydrophobicContact CB-CD2 3.7Å; H434-Y465 HydrophobicContact CB-CE1 4.32Å; H434-Y465 HydrophobicContact CB-CE2 4.25Å; H434-Y465 HydrophobicContact CB-CG 3.44Å; H434-Y465 VanDerWaalsContact CB-CG 3.44Å; H434-Y465 AromaticContact CD2-CD2 3.23Å; H434-Y465 WeakPolarHBondContact CD2-CD2 3.46Å; H434-Y465 AromaticContact CD2-CE2 3.6Å; H434-Y465 AromaticContact CD2-CG 3.92Å; H434-Y465 AromaticContact CG-CD2 3.42Å; H434-Y465 VanDerWaalsContact CG-CD2 3.42Å; H434-Y465 AromaticContact CG-CG 3.61Å; H434-Y465 AromaticContact NE2-CD2 3.89Å; T440-Y465 CarbonylContact O-C 3.46Å; T440-Y465 WeakPolarHBondContact O-CA 3.35Å; M441-Y465 HydrophobicContact CB-CD1 4.31Å; M441-Y465 HydrophobicContact CB-CE1 4.2Å; M441-Y465 HydrophobicContact CE-CE1 4.14Å; M441-Y465 HydrophobicContact CG-CD1 4.47Å; M441-Y465 HydrophobicContact CG-CE1 4.01Å; V463-Y465 HydrophobicContact CB-CE2 4.42Å; V463-Y465 HydrophobicContact CG1-CD2 4.14Å; V463-Y465 HydrophobicContact CG1-CE2 3.32Å; V463-Y465 WeakPolarHBondContact CG1-OH 3.38Å; V463-Y465 HydrophobicContact CG2-CE1 4.28Å; V463-Y465 HydrophobicContact CG2-CE2 4.3Å
466	R	98	Very high	95.4	Very high	44 Å²	44	37.7 Å²	37.7	17%	0.166	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.8	-174.4	-171.4	170.4	175.1	174.4	0.9	111	I267 A439 T440 W442 F468	I267-R466 HydrophobicContact CD1-CG 4.46Å; A439-R466 WeakPolarHBondContact CA-O 3.5Å; T440-R466 PolarHBondContact N-O 3.47Å; T440-R466 PolarHBondContact O-N 2.86Å; W442-R466 HydrophobicContact CB-CB 3.55Å; W442-R466 HydrophobicContact CD2-CB 4.28Å; W442-R466 HydrophobicContact CG-CB 3.67Å; W442-R466 HydrophobicContact CG-CG 4.44Å; R466-F468 HydrophobicContact CB-CE2 4.11Å; R466-F468 VanDerWaalsContact CD-CZ 3.41Å; R466-F468 HydrophobicContact CG-CD2 4.34Å; R466-F468 HydrophobicContact CG-CE1 4.43Å; R466-F468 HydrophobicContact CG-CE2 3.91Å; R466-F468 HydrophobicContact CG-CZ 3.98Å
467	Y	96.6	Very high	95.5	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.035	20%	0.199	C	C	.	.			trans	-100.5	95.6	179.2	-70	-84.3	0	0	0	110.4	F295 I315 F332 H434 N437 A439 L469 T472	F295-Y467 HydrophobicContact CD2-CD2 4.11Å; F295-Y467 AromaticContact CD2-CE2 3.99Å; F295-Y467 HydrophobicContact CD2-CE2 3.99Å; F295-Y467 AromaticContact CE2-CD2 3.88Å; F295-Y467 HydrophobicContact CE2-CD2 3.88Å; F295-Y467 HydrophobicContact CE2-CE2 4.13Å; I315-Y467 HydrophobicContact CD1-CE1 4.38Å; I315-Y467 HydrophobicContact CD1-CE2 4.15Å; I315-Y467 WeakPolarHBondContact CD1-OH 3.42Å; I315-Y467 HydrophobicContact CG2-CD1 4.4Å; I315-Y467 HydrophobicContact CG2-CD2 4.36Å; I315-Y467 HydrophobicContact CG2-CE1 4.2Å; I315-Y467 HydrophobicContact CG2-CE2 4.13Å; I315-Y467 HydrophobicContact CG2-CG 4.47Å; F332-Y467 PolarHBondContact O-N 3.07Å; H434-Y467 AromaticContact ND1-CE2 3.97Å; H434-Y467 AromaticContact ND1-CZ 3.73Å; H434-Y467 PolarHBondContact ND1-OH 3.39Å; N437-Y467 HydrophobicContact CB-CE1 3.85Å; A439-Y467 HydrophobicContact CB-CD1 3.92Å; A439-Y467 HydrophobicContact CB-CD2 4.42Å; A439-Y467 HydrophobicContact CB-CE1 3.56Å; A439-Y467 HydrophobicContact CB-CE2 4.13Å; A439-Y467 HydrophobicContact CB-CG 4.35Å; Y467-L469 PolarHBondContact O-N 3.47Å; Y467-T472 HydrophobicContact CD1-CG2 4.11Å
468	F	95.5	Very high	95.8	Very high	63 Å²	63	39 Å²	39	28%	0.276	21%	0.206	S	C	.	.			trans	-80	102.1	168	-63.1	-80.7	0	0	0	108.6	T440 R466 N470 E471 T472	T440-F468 HydrophobicContact CG2-CE2 4.39Å; R466-F468 HydrophobicContact CB-CE2 4.11Å; R466-F468 VanDerWaalsContact CD-CZ 3.41Å; R466-F468 HydrophobicContact CG-CD2 4.34Å; R466-F468 HydrophobicContact CG-CE1 4.43Å; R466-F468 HydrophobicContact CG-CE2 3.91Å; R466-F468 HydrophobicContact CG-CZ 3.98Å; F468-N470 PolarHBondContact O-N 3.39Å; F468-N470 VanDerWaalsContact O-N 3.1Å; F468-E471 HydrophobicContact CB-CB 4.12Å; F468-E471 HydrophobicContact CB-CG 4.32Å; F468-E471 PolarHBondContact O-N 3.45Å; F468-T472 WeakPolarHBondContact O-CG2 3.34Å; F468-T472 PolarHBondContact O-N 3.38Å
469	L	91.9	Very high	95.8	Very high	60 Å²	60	39 Å²	39	31%	0.314	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-42.1	-168	-56.9	-173.5	0	0	0	113.1	V319 F332 Y467 E471 T472	V319-L469 HydrophobicContact CG1-CD1 3.88Å; V319-L469 HydrophobicContact CG1-CD2 3.69Å; V319-L469 HydrophobicContact CG1-CG 4.46Å; V319-L469 HydrophobicContact CG2-CD2 4.44Å; F332-L469 HydrophobicContact CD2-CD1 4.1Å; F332-L469 HydrophobicContact CD2-CD2 4.01Å; F332-L469 HydrophobicContact CD2-CG 4.15Å; F332-L469 HydrophobicContact CE2-CD1 3.84Å; F332-L469 HydrophobicContact CE2-CG 4.4Å; Y467-L469 PolarHBondContact O-N 3.47Å; L469-E471 VanDerWaalsContact C-N 3.28Å; L469-E471 PolarHBondContact O-N 3.02Å; L469-T472 PolarHBondContact O-OG1 2.89Å
470	N	93.1	Very high	95.8	Very high	162 Å²	162	42.8 Å²	42.8	87%	0.866	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-22	-179.7	-61.6	-12.7	0	0	0	113.7	F468	F468-N470 PolarHBondContact O-N 3.39Å; F468-N470 VanDerWaalsContact O-N 3.1Å
471	E	94.7	Very high	95.8	Very high	92 Å²	92	49.6 Å²	49.6	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-14.7	-176.1	-62.9	176.1	-162.1	0	0	113	F468 L469 T473 N474 N475	F468-E471 HydrophobicContact CB-CB 4.12Å; F468-E471 HydrophobicContact CB-CG 4.32Å; F468-E471 PolarHBondContact O-N 3.45Å; L469-E471 VanDerWaalsContact C-N 3.28Å; L469-E471 PolarHBondContact O-N 3.02Å; E471-T473 VanDerWaalsContact C-N 3.28Å; E471-T473 PolarHBondContact O-N 3.29Å; E471-T473 VanDerWaalsContact O-N 3.16Å; E471-N474 PolarHBondContact O-N 3.5Å; E471-N475 PolarHBondContact O-N 3.43Å
472	T	92.6	Very high	95.7	Very high	13 Å²	13	54.7 Å²	54.7	8%	0.08	28%	0.284	C	S	.	.	H	α-helix	trans	-51.9	-43.2	-174.2	55.4	0	0	0	0	113.6	G438 Y467 F468 L469 S476	G438-T472 VanDerWaalsContact CA-O 3.31Å; G438-T472 WeakPolarHBondContact CA-O 3.39Å; Y467-T472 HydrophobicContact CD1-CG2 4.11Å; F468-T472 WeakPolarHBondContact O-CG2 3.34Å; F468-T472 PolarHBondContact O-N 3.38Å; L469-T472 PolarHBondContact O-OG1 2.89Å; T472-S476 VanDerWaalsContact O-CB 3.27Å; T472-S476 WeakPolarHBondContact O-CB 3.26Å; T472-S476 PolarHBondContact O-N 3.19Å
473	T	92.5	Very high	95.6	Very high	85 Å²	85	59.8 Å²	59.8	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-46.5	178.6	-56.4	0	0	0	0	111.5	E471 S476 V477	E471-T473 VanDerWaalsContact C-N 3.28Å; E471-T473 PolarHBondContact O-N 3.29Å; E471-T473 VanDerWaalsContact O-N 3.16Å; T473-S476 PolarHBondContact O-N 2.76Å; T473-V477 WeakPolarHBondContact O-CG2 3.24Å; T473-V477 PolarHBondContact O-N 2.87Å; T473-V477 VanDerWaalsContact O-N 3.08Å
474	N	95.9	Very high	95.5	Very high	104 Å²	104	61.9 Å²	61.9	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-45.6	-179.6	-69.1	-10.2	0	0	0	111.2	E471 S476 V477 L478	E471-N474 PolarHBondContact O-N 3.5Å; N474-S476 VanDerWaalsContact C-N 3.33Å; N474-S476 PolarHBondContact O-N 2.93Å; N474-V477 PolarHBondContact O-N 2.93Å; N474-L478 WeakPolarHBondContact O-CB 3.4Å; N474-L478 WeakPolarHBondContact O-CG 3.38Å; N474-L478 PolarHBondContact O-N 3.04Å
475	N	96.4	Very high	95.4	Very high	18 Å²	18	62.6 Å²	62.6	10%	0.096	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-39.8	178.9	-69.9	-13.7	0	0	0	111.9	G438 T440 E471 L478 Y479	G438-N475 WeakPolarHBondContact O-CB 3.34Å; G438-N475 PolarHBondContact O-ND2 3.05Å; T440-N475 PolarHBondContact OG1-ND2 3.18Å; E471-N475 PolarHBondContact O-N 3.43Å; N475-L478 PolarHBondContact O-N 3.42Å; N475-Y479 WeakPolarHBondContact O-CB 3.24Å; N475-Y479 PolarHBondContact O-N 3.46Å
476	S	94.6	Very high	95.4	Very high	21 Å²	21	64 Å²	64	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-45.4	175.7	179.9	0	0	0	0	111.6	Q436 T472 T473 N474 Y479 L480	Q436-S476 WeakPolarHBondContact O-CB 3.43Å; Q436-S476 PolarHBondContact O-OG 3.33Å; T472-S476 VanDerWaalsContact O-CB 3.27Å; T472-S476 WeakPolarHBondContact O-CB 3.26Å; T472-S476 PolarHBondContact O-N 3.19Å; T473-S476 PolarHBondContact O-N 2.76Å; N474-S476 VanDerWaalsContact C-N 3.33Å; N474-S476 PolarHBondContact O-N 2.93Å; S476-Y479 PolarHBondContact O-N 3.33Å; S476-L480 WeakPolarHBondContact O-CB 3.22Å; S476-L480 WeakPolarHBondContact O-CG 3.49Å; S476-L480 PolarHBondContact O-N 3.46Å
477	V	95.2	Very high	95.4	Very high	61 Å²	61	63 Å²	63	37%	0.37	34%	0.34	S	S	.	.	H	α-helix	trans	-62	-48.5	176.8	170.9	0	0	0	0	111.1	T473 N474 Y479 L480 Q481	T473-V477 WeakPolarHBondContact O-CG2 3.24Å; T473-V477 PolarHBondContact O-N 2.87Å; T473-V477 VanDerWaalsContact O-N 3.08Å; N474-V477 PolarHBondContact O-N 2.93Å; V477-Y479 VanDerWaalsContact C-N 3.29Å; V477-Y479 PolarHBondContact O-N 3.31Å; V477-L480 PolarHBondContact O-N 3.15Å; V477-Q481 HydrophobicContact CG1-CG 4.3Å; V477-Q481 WeakPolarHBondContact O-CB 3.47Å; V477-Q481 PolarHBondContact O-N 3.15Å
478	L	96.1	Very high	95.4	Very high	80 Å²	80	63.6 Å²	63.6	42%	0.419	35%	0.346	S	S	.	.	H	α-helix	trans	-57.9	-40.8	177.6	-74.3	171.4	0	0	0	112.1	N474 N475 N482 K483 A484	N474-L478 WeakPolarHBondContact O-CB 3.4Å; N474-L478 WeakPolarHBondContact O-CG 3.38Å; N474-L478 PolarHBondContact O-N 3.04Å; N475-L478 PolarHBondContact O-N 3.42Å; L478-N482 CarbonylContact O-C 3.46Å; L478-N482 WeakPolarHBondContact O-CA 3.36Å; L478-N482 VanDerWaalsContact O-CB 3.3Å; L478-N482 WeakPolarHBondContact O-CB 3.19Å; L478-N482 PolarHBondContact O-N 2.98Å; L478-K483 PolarHBondContact O-N 3.24Å; L478-K483 VanDerWaalsContact O-N 3.12Å; L478-A484 HydrophobicContact CB-CB 4.42Å; L478-A484 PolarHBondContact O-N 2.63Å; L478-A484 VanDerWaalsContact O-N 3.16Å
479	Y	96.9	Very high	95.5	Very high	3 Å²	3	68 Å²	68	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-70.5	-43.5	178	-176	-104.9	0	0	0	112.6	F425 A426 N432 L435 Q436 N475 S476 V477 K483 A484 V485	F425-Y479 HydrophobicContact CD1-CD1 4.43Å; F425-Y479 AromaticContact CD1-CE1 3.73Å; F425-Y479 HydrophobicContact CD1-CE1 3.73Å; F425-Y479 AromaticContact CD1-CZ 3.84Å; F425-Y479 HydrophobicContact CE1-CE1 4.34Å; A426-Y479 WeakPolarHBondContact CB-OH 3.34Å; A426-Y479 PolarHBondContact N-OH 3.41Å; N432-Y479 WeakPolarHBondContact OD1-CE1 3.42Å; N432-Y479 PolarHBondContact OD1-OH 3Å; L435-Y479 HydrophobicContact CB-CD1 3.9Å; L435-Y479 HydrophobicContact CB-CD2 3.75Å; L435-Y479 HydrophobicContact CB-CE1 3.88Å; L435-Y479 HydrophobicContact CB-CE2 3.72Å; L435-Y479 HydrophobicContact CB-CG 3.83Å; L435-Y479 HydrophobicContact CD1-CD2 4.2Å; L435-Y479 HydrophobicContact CD1-CE2 3.65Å; L435-Y479 HydrophobicContact CG-CD2 4.49Å; L435-Y479 HydrophobicContact CG-CE2 4.3Å; Q436-Y479 HydrophobicContact CG-CD1 3.91Å; Q436-Y479 HydrophobicContact CG-CE1 3.66Å; N475-Y479 WeakPolarHBondContact O-CB 3.24Å; N475-Y479 PolarHBondContact O-N 3.46Å; S476-Y479 PolarHBondContact O-N 3.33Å; V477-Y479 VanDerWaalsContact C-N 3.29Å; V477-Y479 PolarHBondContact O-N 3.31Å; Y479-K483 WeakPolarHBondContact O-CA 3.38Å; Y479-K483 PolarHBondContact O-N 2.81Å; Y479-A484 VanDerWaalsContact CA-O 3.31Å; Y479-A484 WeakPolarHBondContact CA-O 3.38Å; Y479-V485 HydrophobicContact CD2-CG2 4.1Å; Y479-V485 HydrophobicContact CE2-CG2 3.97Å
480	L	94.3	Very high	95.8	Very high	80 Å²	80	68.7 Å²	68.7	42%	0.419	37%	0.369	S	S	.	.	H	α-helix	trans	-74.1	-39.6	-176.6	-71.1	173.1	0	0	0	113.2	F425 Q436 S476 V477	F425-L480 HydrophobicContact CE1-CD2 4.49Å; Q436-L480 HydrophobicContact CG-CD2 3.96Å; S476-L480 WeakPolarHBondContact O-CB 3.22Å; S476-L480 WeakPolarHBondContact O-CG 3.49Å; S476-L480 PolarHBondContact O-N 3.46Å; V477-L480 PolarHBondContact O-N 3.15Å
481	Q	95.4	Very high	96	Very high	145 Å²	145	61 Å²	61	68%	0.678	33%	0.328	S	S	*	.	H	α-helix	trans	-92.2	-46.2	-175.6	-63.6	-176.7	-7.8	0	0	112.2	V477	V477-Q481 HydrophobicContact CG1-CG 4.3Å; V477-Q481 WeakPolarHBondContact O-CB 3.47Å; V477-Q481 PolarHBondContact O-N 3.15Å
482	N	95.9	Very high	96.2	Very high	108 Å²	108	59.6 Å²	59.6	58%	0.578	32%	0.323	S	S	*	.	H	α-helix	trans	-102.2	-3.8	-172.7	-58.4	70.2	0	0	0	113	L478 A484	L478-N482 CarbonylContact O-C 3.46Å; L478-N482 WeakPolarHBondContact O-CA 3.36Å; L478-N482 VanDerWaalsContact O-CB 3.3Å; L478-N482 WeakPolarHBondContact O-CB 3.19Å; L478-N482 PolarHBondContact O-N 2.98Å; N482-A484 HydrophobicContact CB-CB 4.34Å; N482-A484 PolarHBondContact O-N 3.02Å; N482-A484 VanDerWaalsContact O-N 3.14Å
483	K	96.3	Very high	96.4	Very high	108 Å²	108	60.2 Å²	60.2	47%	0.47	33%	0.332	S	S	.	.			trans	58.3	22.6	-176.3	-60.4	162.8	176.9	173.8	0	112.8	G424 L478 Y479	G424-K483 WeakPolarHBondContact O-CB 3.34Å; G424-K483 WeakPolarHBondContact O-CG 3.19Å; L478-K483 PolarHBondContact O-N 3.24Å; L478-K483 VanDerWaalsContact O-N 3.12Å; Y479-K483 WeakPolarHBondContact O-CA 3.38Å; Y479-K483 PolarHBondContact O-N 2.81Å
484	A	96.1	Very high	96.5	Very high	43 Å²	43	57 Å²	57	36%	0.355	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-87.1	134	-177.7	0	0	0	0	0	110.6	L478 Y479 N482	L478-A484 HydrophobicContact CB-CB 4.42Å; L478-A484 PolarHBondContact O-N 2.63Å; L478-A484 VanDerWaalsContact O-N 3.16Å; Y479-A484 VanDerWaalsContact CA-O 3.31Å; Y479-A484 WeakPolarHBondContact CA-O 3.38Å; N482-A484 HydrophobicContact CB-CB 4.34Å; N482-A484 PolarHBondContact O-N 3.02Å; N482-A484 VanDerWaalsContact O-N 3.14Å
485	V	97.1	Very high	96.5	Very high	16 Å²	16	52.4 Å²	52.4	10%	0.097	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-103.3	117.9	-178.9	178.1	0	0	0	0	109.3	Y418 L435 M441 Y479 A487	Y418-V485 HydrophobicContact CD2-CB 3.98Å; Y418-V485 HydrophobicContact CD2-CG1 3.67Å; Y418-V485 HydrophobicContact CE2-CB 3.68Å; Y418-V485 HydrophobicContact CE2-CG1 3.76Å; L435-V485 HydrophobicContact CD1-CG1 3.91Å; L435-V485 HydrophobicContact CD1-CG2 4.04Å; L435-V485 HydrophobicContact CD2-CG1 3.78Å; M441-V485 HydrophobicContact CE-CG1 4.16Å; Y479-V485 HydrophobicContact CD2-CG2 4.1Å; Y479-V485 HydrophobicContact CE2-CG2 3.97Å; V485-A487 PolarHBondContact O-N 2.99Å
486	A	97.6	Very high	96.4	Very high	30 Å²	30	53.7 Å²	53.7	25%	0.248	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-72.6	122.1	168.9	0	0	0	0	0	109.5	T440 M441	T440-A486 HydrophobicContact CG2-CB 4.32Å; M441-A486 PolarHBondContact N-O 3.15Å
487	A	97.9	Very high	96.2	Very high	22 Å²	22	57.2 Å²	57.2	18%	0.182	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-140.7	152.2	-177.3	0	0	0	0	0	111.6	Y418 M441 V485 V491 L492	Y418-A487 HydrophobicContact CD2-CB 3.82Å; Y418-A487 HydrophobicContact CE2-CB 3.68Å; M441-A487 HydrophobicContact CB-CB 4.24Å; M441-A487 CarbonylContact O-C 3.4Å; M441-A487 VanDerWaalsContact O-CA 3.29Å; M441-A487 WeakPolarHBondContact O-CA 3.23Å; V485-A487 PolarHBondContact O-N 2.99Å; A487-V491 HydrophobicContact CB-CB 4.19Å; A487-V491 HydrophobicContact CB-CG1 4.05Å; A487-L492 HydrophobicContact CB-CD2 4.14Å; A487-L492 HydrophobicContact CB-CG 4.2Å
488	S	98	Very high	95.9	Very high	21 Å²	21	54.4 Å²	54.4	15%	0.147	29%	0.294	C	S	.	.			trans	-77	168.5	176.1	78.9	0	0	0	0	112.7	M441 W442 Q490 V491 L492	M441-S488 PolarHBondContact O-N 2.85Å; W442-S488 WeakPolarHBondContact O-CB 2.97Å; W442-S488 PolarHBondContact O-OG 2.98Å; S488-Q490 VanDerWaalsContact C-N 3.26Å; S488-Q490 PolarHBondContact O-N 3.16Å; S488-Q490 PolarHBondContact OG-N 2.88Å; S488-V491 PolarHBondContact O-N 3.32Å; S488-V491 PolarHBondContact OG-N 3.39Å; S488-L492 WeakPolarHBondContact O-CG 3.45Å; S488-L492 PolarHBondContact O-N 3.49Å
489	Q	97.7	Very high	95.5	Very high	155 Å²	155	56.4 Å²	56.4	72%	0.724	30%	0.302	S	S	*	.	H	α-helix	trans	-60.5	-33	175.6	-166.4	62.4	14.7	0	0	113.4	G493	Q489-G493 PolarHBondContact O-N 2.8Å
490	Q	97.6	Very high	95	Very high	76 Å²	76	64 Å²	64	36%	0.355	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-46.7	177	-174.9	-122.4	23.8	0	0	110.7	I444 S488 G493 L494	I444-Q490 PolarHBondContact O-NE2 3.42Å; S488-Q490 VanDerWaalsContact C-N 3.26Å; S488-Q490 PolarHBondContact O-N 3.16Å; S488-Q490 PolarHBondContact OG-N 2.88Å; Q490-G493 PolarHBondContact O-N 3.35Å; Q490-L494 WeakPolarHBondContact O-CG 3.33Å; Q490-L494 PolarHBondContact O-N 3.36Å
491	V	97.6	Very high	94.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-46.9	179.1	177.3	0	0	0	0	110.8	M441 I444 A487 S488 G493 L494 V495	M441-V491 HydrophobicContact CG-CG1 4.23Å; M441-V491 HydrophobicContact CG-CG2 4.17Å; M441-V491 HydrophobicContact SD-CG1 3.69Å; I444-V491 HydrophobicContact CD1-CG2 4.33Å; I444-V491 HydrophobicContact CG1-CG2 4.22Å; A487-V491 HydrophobicContact CB-CB 4.19Å; A487-V491 HydrophobicContact CB-CG1 4.05Å; S488-V491 PolarHBondContact O-N 3.32Å; S488-V491 PolarHBondContact OG-N 3.39Å; V491-G493 VanDerWaalsContact C-N 3.25Å; V491-G493 PolarHBondContact O-N 2.9Å; V491-L494 PolarHBondContact O-N 3.47Å; V491-L494 VanDerWaalsContact O-N 3.17Å; V491-V495 WeakPolarHBondContact O-CG2 3.36Å; V491-V495 PolarHBondContact O-N 3.35Å
492	L	97.6	Very high	92.9	Very high	62 Å²	62	56.9 Å²	56.9	33%	0.325	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-33.6	177.7	-66.6	176.5	0	0	0	112.1	Y418 A487 S488 V495 S496	Y418-L492 HydrophobicContact CE1-CD2 4.39Å; Y418-L492 HydrophobicContact CE2-CD2 3.9Å; A487-L492 HydrophobicContact CB-CD2 4.14Å; A487-L492 HydrophobicContact CB-CG 4.2Å; S488-L492 WeakPolarHBondContact O-CG 3.45Å; S488-L492 PolarHBondContact O-N 3.49Å; L492-V495 PolarHBondContact O-N 3.12Å; L492-S496 WeakPolarHBondContact O-CB 3.48Å; L492-S496 PolarHBondContact O-N 2.97Å
493	G	97.3	Very high	91.3	Very high	26 Å²	26	60.4 Å²	60.4	27%	0.268	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-47.7	172.2	0	0	0	0	0	112.4	Q489 Q490 V491 S496 Q497	Q489-G493 PolarHBondContact O-N 2.8Å; Q490-G493 PolarHBondContact O-N 3.35Å; V491-G493 VanDerWaalsContact C-N 3.25Å; V491-G493 PolarHBondContact O-N 2.9Å; G493-S496 PolarHBondContact O-N 3.46Å; G493-Q497 WeakPolarHBondContact O-CG 3.29Å; G493-Q497 PolarHBondContact O-N 3.08Å
494	L	95.9	Very high	89.6	Confident	19 Å²	19	60.3 Å²	60.3	10%	0.099	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-41	176	-67.9	168.8	0	0	0	112	M410 I444 Q490 V491 Q497 F498	M410-L494 HydrophobicContact CB-CD2 4.15Å; I444-L494 HydrophobicContact CB-CD1 4.44Å; I444-L494 HydrophobicContact CD1-CD1 3.91Å; Q490-L494 WeakPolarHBondContact O-CG 3.33Å; Q490-L494 PolarHBondContact O-N 3.36Å; V491-L494 PolarHBondContact O-N 3.47Å; V491-L494 VanDerWaalsContact O-N 3.17Å; L494-Q497 PolarHBondContact O-N 3.42Å; L494-F498 PolarHBondContact O-N 2.73Å
495	V	94.8	Very high	89.2	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.036	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-42.3	175.9	173.5	0	0	0	0	111.3	W415 Y418 V491 L492 Q497 F498 Q499	W415-V495 HydrophobicContact CE3-CG1 4.2Å; W415-V495 HydrophobicContact CZ3-CG1 4.35Å; Y418-V495 HydrophobicContact CD1-CB 4.45Å; Y418-V495 HydrophobicContact CD1-CG1 3.9Å; Y418-V495 HydrophobicContact CD1-CG2 3.83Å; Y418-V495 HydrophobicContact CE1-CG1 4.38Å; Y418-V495 HydrophobicContact CG-CG2 3.82Å; V491-V495 WeakPolarHBondContact O-CG2 3.36Å; V491-V495 PolarHBondContact O-N 3.35Å; L492-V495 PolarHBondContact O-N 3.12Å; V495-Q497 PolarHBondContact O-N 3.44Å; V495-F498 WeakPolarHBondContact O-CB 3.36Å; V495-F498 PolarHBondContact O-N 3.24Å; V495-Q499 WeakPolarHBondContact O-CG 3.33Å; V495-Q499 PolarHBondContact O-N 2.77Å
496	S	94	Very high	88.8	Confident	46 Å²	46	63.6 Å²	63.6	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.9	-176.2	0	0	0	0	111.8	L492 G493 F498 Q499 K500	L492-S496 WeakPolarHBondContact O-CB 3.48Å; L492-S496 PolarHBondContact O-N 2.97Å; G493-S496 PolarHBondContact O-N 3.46Å; S496-F498 VanDerWaalsContact C-N 3.31Å; S496-F498 PolarHBondContact O-N 2.97Å; S496-Q499 PolarHBondContact O-N 3.32Å; S496-K500 WeakPolarHBondContact O-CG 3.33Å; S496-K500 PolarHBondContact O-N 3.05Å; S496-K500 VanDerWaalsContact O-N 3.11Å
497	Q	90.7	Very high	88.3	Confident	94 Å²	94	65.4 Å²	65.4	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-42.3	172.9	-70.8	171.4	11	0	0	111.3	R411 G493 L494 V495 K500 N501	R411-Q497 HydrophobicContact CG-CB 4.14Å; G493-Q497 WeakPolarHBondContact O-CG 3.29Å; G493-Q497 PolarHBondContact O-N 3.08Å; L494-Q497 PolarHBondContact O-N 3.42Å; V495-Q497 PolarHBondContact O-N 3.44Å; Q497-K500 PolarHBondContact O-N 3.41Å; Q497-N501 WeakPolarHBondContact O-CB 3.34Å; Q497-N501 PolarHBondContact O-N 3.39Å; Q497-N501 VanDerWaalsContact O-N 3.15Å
498	F	89.3	Confident	87.8	Confident	2 Å²	2	68 Å²	68	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-50.1	175.2	-178.2	-84.1	0	0	0	111.6	R411 L412 W415 L494 V495 S496 K500 N501 S502 L504	R411-F498 HydrophobicContact CG-CB 3.85Å; R411-F498 HydrophobicContact CG-CD2 4.44Å; R411-F498 VanDerWaalsContact NH1-CD2 3.35Å; L412-F498 HydrophobicContact CD2-CD2 3.95Å; L412-F498 HydrophobicContact CD2-CE2 3.66Å; W415-F498 HydrophobicContact CB-CB 4.13Å; W415-F498 HydrophobicContact CB-CD1 3.85Å; W415-F498 HydrophobicContact CB-CD2 3.6Å; W415-F498 HydrophobicContact CB-CE1 4.23Å; W415-F498 HydrophobicContact CB-CE2 4Å; W415-F498 HydrophobicContact CB-CG 3.55Å; W415-F498 HydrophobicContact CB-CZ 4.31Å; W415-F498 AromaticContact CD1-CE1 3.72Å; W415-F498 AromaticContact CD1-CE2 3.95Å; W415-F498 AromaticContact CD1-CZ 3.61Å; W415-F498 AromaticContact CD2-CD1 3.28Å; W415-F498 HydrophobicContact CD2-CD1 3.28Å; W415-F498 AromaticContact CD2-CE1 3.32Å; W415-F498 HydrophobicContact CD2-CE1 3.32Å; W415-F498 AromaticContact CD2-CG 3.98Å; W415-F498 HydrophobicContact CD2-CG 3.98Å; W415-F498 HydrophobicContact CD2-CZ 4.03Å; W415-F498 AromaticContact CE2-CD1 3.95Å; W415-F498 AromaticContact CE2-CE1 3.49Å; W415-F498 VanDerWaalsContact CE2-CE1 3.49Å; W415-F498 AromaticContact CE3-CD1 3.37Å; W415-F498 HydrophobicContact CE3-CD1 3.37Å; W415-F498 AromaticContact CE3-CE1 3.82Å; W415-F498 HydrophobicContact CE3-CE1 3.82Å; W415-F498 HydrophobicContact CE3-CG 4.13Å; W415-F498 AromaticContact CG-CD1 3.5Å; W415-F498 HydrophobicContact CG-CD1 3.5Å; W415-F498 VanDerWaalsContact CG-CD1 3.5Å; W415-F498 AromaticContact CG-CD2 3.9Å; W415-F498 HydrophobicContact CG-CD2 3.9Å; W415-F498 AromaticContact CG-CE1 3.49Å; W415-F498 HydrophobicContact CG-CE1 3.49Å; W415-F498 VanDerWaalsContact CG-CE1 3.49Å; W415-F498 AromaticContact CG-CE2 3.89Å; W415-F498 HydrophobicContact CG-CE2 3.89Å; W415-F498 AromaticContact CG-CG 3.73Å; W415-F498 HydrophobicContact CG-CG 3.73Å; W415-F498 AromaticContact CG-CZ 3.71Å; W415-F498 HydrophobicContact CG-CZ 3.71Å; W415-F498 HydrophobicContact CH2-CE1 4.5Å; W415-F498 HydrophobicContact CZ2-CE1 4.09Å; W415-F498 HydrophobicContact CZ3-CD1 4.07Å; W415-F498 HydrophobicContact CZ3-CE1 4.38Å; W415-F498 AromaticContact NE1-CE1 3.73Å; W415-F498 AromaticContact NE1-CZ 3.88Å; L494-F498 PolarHBondContact O-N 2.73Å; V495-F498 WeakPolarHBondContact O-CB 3.36Å; V495-F498 PolarHBondContact O-N 3.24Å; S496-F498 VanDerWaalsContact C-N 3.31Å; S496-F498 PolarHBondContact O-N 2.97Å; F498-K500 PolarHBondContact O-N 3.38Å; F498-N501 PolarHBondContact O-N 3.48Å; F498-N501 VanDerWaalsContact O-N 3.14Å; F498-S502 VanDerWaalsContact CZ-CB 3.43Å; F498-S502 WeakPolarHBondContact O-CA 3.48Å; F498-S502 WeakPolarHBondContact O-CB 3.32Å; F498-S502 PolarHBondContact O-N 3.33Å; F498-L504 HydrophobicContact CE1-CB 4.17Å; F498-L504 HydrophobicContact CE1-CD1 4.4Å; F498-L504 HydrophobicContact CE2-CD1 4.08Å; F498-L504 HydrophobicContact CZ-CB 3.89Å; F498-L504 HydrophobicContact CZ-CD1 3.42Å; F498-L504 VanDerWaalsContact CZ-CD1 3.42Å; F498-L504 HydrophobicContact CZ-CG 4.05Å
499	Q	88.4	Confident	87.1	Confident	123 Å²	123	70.9 Å²	70.9	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-62.8	-26.9	-179.1	-71.9	176.9	-29.1	0	0	114	W415 V495 S496	W415-Q499 HydrophobicContact CZ3-CG 4.02Å; V495-Q499 WeakPolarHBondContact O-CG 3.33Å; V495-Q499 PolarHBondContact O-N 2.77Å; S496-Q499 PolarHBondContact O-N 3.32Å
500	K	85.5	Confident	86.4	Confident	163 Å²	163	65.3 Å²	65.3	71%	0.709	33%	0.326	S	S	*	.	H	α-helix	trans	-76.3	-38.6	175.1	-72.6	174.6	-175.9	-179	0	112.4	S496 Q497 F498	S496-K500 WeakPolarHBondContact O-CG 3.33Å; S496-K500 PolarHBondContact O-N 3.05Å; S496-K500 VanDerWaalsContact O-N 3.11Å; Q497-K500 PolarHBondContact O-N 3.41Å; F498-K500 PolarHBondContact O-N 3.38Å
501	N	75.3	Confident	85.6	Confident	68 Å²	68	64.6 Å²	64.6	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-102.8	-11.5	-167.6	-63.1	-2.5	0	0	0	113.3	Q497 F498	Q497-N501 WeakPolarHBondContact O-CB 3.34Å; Q497-N501 PolarHBondContact O-N 3.39Å; Q497-N501 VanDerWaalsContact O-N 3.15Å; F498-N501 PolarHBondContact O-N 3.48Å; F498-N501 VanDerWaalsContact O-N 3.14Å
502	S	71.4	Confident	84.7	Confident	6 Å²	6	69.5 Å²	69.5	4%	0.042	35%	0.349	C	S	.	.			trans	-138.6	132	-174.2	-55.8	0	0	0	0	111.3	D360 L361 R411 F498	D360-S502 WeakPolarHBondContact O-CA 3.41Å; D360-S502 WeakPolarHBondContact O-CB 3.48Å; D360-S502 PolarHBondContact O-OG 3.26Å; L361-S502 PolarHBondContact O-OG 3.23Å; R411-S502 PolarHBondContact NH1-OG 3.42Å; F498-S502 VanDerWaalsContact CZ-CB 3.43Å; F498-S502 WeakPolarHBondContact O-CA 3.48Å; F498-S502 WeakPolarHBondContact O-CB 3.32Å; F498-S502 PolarHBondContact O-N 3.33Å
503	K	61.8	Low	83.6	Confident	183 Å²	183	70.2 Å²	70.2	80%	0.796	35%	0.351	S	S	*	.			trans	-107.8	82.9	170	-68.5	-176.4	-178	176.9	0	108
504	L	59	Low	82.4	Confident	106 Å²	106	74.2 Å²	74.2	56%	0.555	36%	0.359	S	S	*	.			trans	-88	0	170.1	-105.8	168.1	0	0	0	110.9	L348 Y352 L361 F498	L348-L504 HydrophobicContact CD1-CD1 3.98Å; L348-L504 HydrophobicContact CD2-CD1 4.48Å; L348-L504 HydrophobicContact CD2-CD2 3.95Å; Y352-L504 HydrophobicContact CE2-CD2 4.4Å; Y352-L504 VanDerWaalsContact OH-CD2 3.31Å; Y352-L504 WeakPolarHBondContact OH-CD2 3.44Å; Y352-L504 WeakPolarHBondContact OH-CG 3.39Å; L361-L504 HydrophobicContact CD1-CD1 4.24Å; F498-L504 HydrophobicContact CE1-CB 4.17Å; F498-L504 HydrophobicContact CE1-CD1 4.4Å; F498-L504 HydrophobicContact CE2-CD1 4.08Å; F498-L504 HydrophobicContact CZ-CB 3.89Å; F498-L504 HydrophobicContact CZ-CD1 3.42Å; F498-L504 VanDerWaalsContact CZ-CD1 3.42Å; F498-L504 HydrophobicContact CZ-CG 4.05Å

Retrieved 504 of 504 residues in 940.9 ms (Link to these results)

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