A0A077Z8U6_TRITR Loading...

Frizzled 5

AlphaFold DB , UniProt , Accession A0A077Z8U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 698 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	30.7	Very low	243 Å²	243	168.6 Å²	168.6	100%	1.197	87%	0.868	S	S	*	*				0	96.7	0	-161	173	-163	0	0	106.7
2	F	25.4	Very low	30.8	Very low	201 Å²	201	171.9 Å²	171.9	88%	0.882	87%	0.871	S	S	*	*			trans	-154.5	68.2	-154.4	-142.2	-78.7	0	0	0	111.8
3	F	30.8	Very low	30.9	Very low	194 Å²	194	176.8 Å²	176.8	85%	0.851	87%	0.872	S	S	*	*			trans	-142.7	135.9	179.2	-101.2	-95.8	0	0	0	111.9
4	L	29.9	Very low	30.6	Very low	150 Å²	150	173.6 Å²	173.6	79%	0.785	87%	0.873	S	S	*	*			trans	47	107	154.5	-63	166.2	0	0	0	119.6
5	F	29.2	Very low	30.6	Very low	212 Å²	212	169.9 Å²	169.9	93%	0.93	87%	0.87	S	S	*	*			trans	-159.8	58.2	136.7	-122.4	-69.9	0	0	0	113.7
6	L	27.8	Very low	30.7	Very low	175 Å²	175	168 Å²	168	92%	0.916	87%	0.869	S	S	*	*			trans	-141.7	76.4	173	-78.6	-178.9	0	0	0	112.7
7	Q	30.8	Very low	30.5	Very low	184 Å²	184	163.1 Å²	163.1	86%	0.86	86%	0.858	S	S	*	*			trans	-159.1	140.1	158.4	-125.2	172.5	-9	0	0	111.6
8	Q	30.5	Very low	30.3	Very low	182 Å²	182	161.2 Å²	161.2	85%	0.85	85%	0.854	S	S	*	*			trans	63.7	144	-179.6	-58.5	170.4	-36.1	0	0	113.3
9	V	36.4	Very low	30.3	Very low	122 Å²	122	160.6 Å²	160.6	74%	0.739	86%	0.857	S	S	*	*			cis	-134.7	139	32.3	171.7	0	0	0	0	111.5
10	P	34.9	Very low	30.2	Very low	117 Å²	117	157.6 Å²	157.6	76%	0.76	85%	0.849	S	S	*	*			trans	-78.3	137.2	169.6	32.6	-33.6	0	0	0	111.9
11	G	29.8	Very low	30.2	Very low	75 Å²	75	156.4 Å²	156.4	77%	0.773	85%	0.852	S	S	*	*			trans	68.6	107.3	161.5	0	0	0	0	0	117.5
12	K	32.3	Very low	30.2	Very low	208 Å²	208	154.8 Å²	154.8	90%	0.904	83%	0.832	S	S	*	*			trans	-143	143.8	152.4	-110.5	161.7	-172.1	173.6	0	110.4
13	R	31	Very low	30.7	Very low	236 Å²	236	153 Å²	153	89%	0.891	83%	0.826	S	S	*	*			trans	-77.7	148.4	-165.1	-60.2	174.1	-176.8	165.3	-0.3	111.5	S15	R13-S15 PolarHBondContact O-N 2.9Å
14	C	27.8	Very low	30.7	Very low	131 Å²	131	153.1 Å²	153.1	89%	0.885	83%	0.827	S	S	*	*			trans	-70.3	114.6	159.7	-69.7	0	0	0	0	108.5	V16	C14-V16 PolarHBondContact O-N 3.44Å
15	S	30.5	Very low	31	Very low	119 Å²	119	150.5 Å²	150.5	83%	0.832	82%	0.821	S	S	*	*			trans	-90.3	98.3	174	-67.8	0	0	0	0	110.3	R13	R13-S15 PolarHBondContact O-N 2.9Å
16	V	31.7	Very low	31.2	Very low	139 Å²	139	147.6 Å²	147.6	84%	0.842	82%	0.815	S	S	*	*			trans	-97.8	112.7	155.9	178.9	0	0	0	0	107	C14	C14-V16 PolarHBondContact O-N 3.44Å
17	A	27.3	Very low	31.7	Very low	84 Å²	84	145.8 Å²	145.8	69%	0.694	81%	0.806	S	S	*	*			trans	-88	150.6	159.4	0	0	0	0	0	107.6
18	V	27.5	Very low	31.9	Very low	130 Å²	130	144.9 Å²	144.9	79%	0.788	80%	0.802	S	S	*	*			cis	-142.6	128.3	21.3	176.1	0	0	0	0	110.5
19	V	30.7	Very low	32	Very low	149 Å²	149	140.8 Å²	140.8	90%	0.903	80%	0.799	S	S	*	*			trans	-148.1	144.6	138.6	177.8	0	0	0	0	106.9
20	S	26.8	Very low	31.8	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	80%	0.801	S	S	*	*			trans	-108.9	127.7	179	161.1	0	0	0	0	111.6
21	C	31.1	Very low	31.9	Very low	133 Å²	133	140.1 Å²	140.1	90%	0.899	81%	0.808	S	S	*	*			trans	-154.1	168.1	138.1	-131.3	0	0	0	0	111.4
22	R	32.8	Very low	31.9	Very low	208 Å²	208	145 Å²	145	79%	0.785	82%	0.815	S	S	*	*			trans	-110.6	158.7	-162.9	-57.9	178.7	178.1	178.7	-0.2	113.6
23	H	35.4	Very low	32.1	Very low	163 Å²	163	141 Å²	141	76%	0.755	81%	0.808	S	S	*	*			trans	68.7	155	166.1	-60.6	-66.3	0	0	0	116
24	F	31.3	Very low	32.1	Very low	197 Å²	197	135.8 Å²	135.8	86%	0.864	81%	0.805	S	S	*	*			cis	-130.2	-159.5	3	-157	-112.4	0	0	0	112.3
25	S	35.6	Very low	32.5	Very low	95 Å²	95	137 Å²	137	66%	0.664	80%	0.801	S	S	*	*			trans	-86	176.2	-160.5	-154.4	0	0	0	0	116.9
26	L	32.7	Very low	32.7	Very low	152 Å²	152	137.2 Å²	137.2	80%	0.796	79%	0.793	S	S	*	*			trans	-69.2	159	178	-52	89.1	0	0	0	113.1
27	D	37.8	Very low	32.9	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	79%	0.793	S	S	*	*				-159.3	161.3	105.8	-128.9	-23.9	0	0	0	116.4
28	Q	35.4	Very low	33.3	Very low	165 Å²	165	145.4 Å²	145.4	77%	0.771	80%	0.798	S	S	*	*			trans	46	96.4	156.4	-71.6	170	48.1	0	0	123.4
29	A	32.4	Very low	33.6	Very low	95 Å²	95	144.8 Å²	144.8	79%	0.785	80%	0.798	S	S	*	*				24.3	131.9	123.1	0	0	0	0	0	123.9
30	A	33.5	Very low	33.9	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	79%	0.791	S	S	*	*			trans	69	105.6	134.5	0	0	0	0	0	121.9
31	S	35.8	Very low	34.2	Very low	130 Å²	130	145.4 Å²	145.4	91%	0.909	79%	0.793	S	S	*	*				-161.9	158.4	129.4	-86.8	0	0	0	0	112.1
32	L	30	Very low	34.6	Very low	178 Å²	178	145.4 Å²	145.4	93%	0.932	79%	0.789	S	S	*	*			trans	-103.8	116.4	-174.6	-75.1	154.4	0	0	0	111.8
33	V	36.3	Very low	34.6	Very low	125 Å²	125	142.7 Å²	142.7	76%	0.758	79%	0.79	S	S	*	*			trans	-145.5	134.3	162.5	-174.9	0	0	0	0	108.5
34	P	32	Very low	34.5	Very low	126 Å²	126	138.8 Å²	138.8	82%	0.818	79%	0.793	S	S	*	*			trans	-75.7	147.2	177.3	31.5	-35.2	0	0	0	112.1
35	I	36.4	Very low	34.6	Very low	157 Å²	157	134.2 Å²	134.2	81%	0.805	79%	0.792	S	S	*	*			trans	-114.9	134.2	-178.4	-63.6	179.8	0	0	0	110.7
36	D	33.9	Very low	34.5	Very low	123 Å²	123	138.6 Å²	138.6	66%	0.658	80%	0.802	S	S	*	*			trans	-68	140.3	176.7	-178.3	24.7	0	0	0	112.1	R38	D36-R38 PolarHBondContact O-N 3.3Å; D36-R38 IonicContact OD2-NE 3.83Å
37	H	35.4	Very low	34.5	Very low	181 Å²	181	140.2 Å²	140.2	84%	0.838	81%	0.805	S	S	*	*			trans	-88.3	83.9	-178.6	-92.1	-55.4	0	0	0	111.8
38	R	36.9	Very low	34.4	Very low	213 Å²	213	139.5 Å²	139.5	80%	0.804	81%	0.808	S	S	*	*			trans	-122.4	107.8	160.1	-65.9	-172	-175.6	-129.1	0.3	110.8	D36	D36-R38 PolarHBondContact O-N 3.3Å; D36-R38 IonicContact OD2-NE 3.83Å
39	C	33.2	Very low	34.4	Very low	118 Å²	118	138.3 Å²	138.3	80%	0.797	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-83	126.3	170.4	-61.4	0	0	0	0	110.1
40	P	37.5	Very low	34.5	Very low	114 Å²	114	138.4 Å²	138.4	74%	0.74	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-76.2	145.2	158.4	32.4	-31.3	0	0	0	109.9
41	I	32.8	Very low	34.5	Very low	149 Å²	149	140.9 Å²	140.9	76%	0.764	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-89.4	137	167.2	-62.1	172.3	0	0	0	107.4
42	V	39.4	Very low	34.6	Very low	132 Å²	132	141.7 Å²	141.7	80%	0.8	79%	0.792	S	S	*	*			trans	-137.4	113.9	169	-178.3	0	0	0	0	108.1
43	D	32.1	Very low	35	Very low	152 Å²	152	139.4 Å²	139.4	81%	0.813	78%	0.78	S	S	*	*			trans	-80.9	142.8	165.9	-64.2	-71.6	0	0	0	109.6
44	G	35	Very low	35	Very low	80 Å²	80	138.5 Å²	138.5	83%	0.825	78%	0.779	S	S	*	*			trans	-179.8	120.1	178.1	0	0	0	0	0	111.1
45	A	31.7	Very low	34.9	Very low	101 Å²	101	140.7 Å²	140.7	84%	0.835	78%	0.783	S	S	*	*			trans	-98.3	152.4	179.9	0	0	0	0	0	111.5
46	E	35.3	Very low	34.9	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	78%	0.777	S	S	*	*			trans	-159.6	138.7	146.6	-162.4	85.9	133.3	0	0	107.6
47	Q	31.3	Very low	34.8	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	79%	0.789	S	S	*	*			trans	-145.4	108	-179.2	-176.6	177.9	-12	0	0	111.5
48	P	36.5	Very low	34.9	Very low	122 Å²	122	145.6 Å²	145.6	79%	0.792	79%	0.79	S	S	*	*			trans	-85.5	170.4	172	34.1	-32.9	0	0	0	112.4
49	N	34.6	Very low	35.3	Very low	141 Å²	141	146.7 Å²	146.7	75%	0.754	79%	0.794	S	S	*	*			trans	-127.2	167.6	-151.2	-163.9	20.5	0	0	0	114.5
50	T	35.1	Very low	35.4	Very low	97 Å²	97	147.5 Å²	147.5	60%	0.595	80%	0.796	S	S	*	*			trans	60.1	118.9	157.9	39.2	0	0	0	0	120.3
51	D	33.1	Very low	35.5	Very low	146 Å²	146	147.3 Å²	147.3	78%	0.781	79%	0.794	S	S	*	*				48.8	111.8	125.6	-50.7	-17.3	0	0	0	120.5
52	D	37.3	Very low	35.8	Very low	147 Å²	147	145.2 Å²	145.2	79%	0.786	79%	0.79	S	S	*	*			trans	-158.1	154.3	134.5	-132.1	-14.3	0	0	0	116.8
53	I	38.4	Very low	35.6	Very low	130 Å²	130	144.4 Å²	144.4	67%	0.667	78%	0.78	S	S	*	*			trans	57.8	87.8	151.9	-69.6	151.7	0	0	0	120.5
54	S	36.3	Very low	35.6	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	77%	0.774	S	S	*	*				84.5	156.5	120.5	84.5	0	0	0	0	123
55	L	31.4	Very low	35.5	Very low	172 Å²	172	144 Å²	144	90%	0.901	77%	0.769	S	S	*	*			trans	-80.9	131.9	-174.5	-71.8	73.1	0	0	0	113.3
56	S	35.1	Very low	35.4	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	76%	0.761	S	S	*	*			trans	-127.9	104.9	155.2	-165.7	0	0	0	0	111	R58	S56-R58 PolarHBondContact O-N 2.94Å
57	R	32.1	Very low	35.2	Very low	240 Å²	240	139.4 Å²	139.4	91%	0.906	74%	0.74	S	S	*	*			trans	-72	85.3	-174.4	-176.5	-169.8	-74.9	-172.1	-4.3	111.7
58	R	38.6	Very low	35.2	Very low	225 Å²	225	136.6 Å²	136.6	85%	0.849	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-89.3	123	170.8	-66.2	-167.6	-179.5	-135.6	-0.4	111.3	S56	S56-R58 PolarHBondContact O-N 2.94Å
59	R	44	Very low	35.4	Very low	237 Å²	237	132.6 Å²	132.6	89%	0.894	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.1	144.2	172	-60.1	175.1	-177.4	166.9	-0.6	109.4	P61	R59-P61 WeakPolarHBondContact O-CD 3.37Å
60	T	36.5	Very low	35.8	Very low	135 Å²	135	131.3 Å²	131.3	83%	0.828	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-69.1	119.9	168.6	44.2	0	0	0	0	110.3
61	P	40	Very low	36.3	Very low	109 Å²	109	131 Å²	131	71%	0.708	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.8	157	165.2	32.7	-33.9	0	0	0	110.1	R59	R59-P61 WeakPolarHBondContact O-CD 3.37Å
62	P	37.8	Very low	36.6	Very low	106 Å²	106	126.4 Å²	126.4	69%	0.688	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-64.9	157.9	172.7	29	-35.3	0	0	0	111.3	A64 W634	P62-A64 VanDerWaalsContact C-N 3.28Å; P62-A64 PolarHBondContact O-N 3.28Å; P62-W634 HydrophobicContact CB-CH2 4.18Å
63	I	36.4	Very low	36.9	Very low	115 Å²	115	126.1 Å²	126.1	59%	0.59	67%	0.665	S	S	*	*			trans	-66.8	86.7	172.7	-59	170.2	0	0	0	109.6	I65 W634	I63-I65 HydrophobicContact CG2-CG1 4.36Å; I63-W634 HydrophobicContact CB-CH2 3.78Å; I63-W634 HydrophobicContact CB-CZ2 3.85Å; I63-W634 HydrophobicContact CD1-CH2 4.32Å; I63-W634 HydrophobicContact CD1-CZ2 3.55Å; I63-W634 HydrophobicContact CG1-CH2 4.03Å; I63-W634 HydrophobicContact CG1-CZ2 3.54Å
64	A	32	Very low	37.2	Very low	83 Å²	83	127.1 Å²	127.1	69%	0.686	66%	0.661	S	S	*	*			trans	-67.1	125.9	149.4	0	0	0	0	0	107.6	P62 S66	P62-A64 VanDerWaalsContact C-N 3.28Å; P62-A64 PolarHBondContact O-N 3.28Å; A64-S66 PolarHBondContact O-N 3.4Å
65	I	33.1	Very low	38.1	Very low	141 Å²	141	128.1 Å²	128.1	72%	0.723	65%	0.654	S	S	*	*			trans	-73.5	79	173	-57.4	179	0	0	0	107.8	I63 F67	I63-I65 HydrophobicContact CG2-CG1 4.36Å; I65-F67 HydrophobicContact CG2-CD2 4.3Å; I65-F67 HydrophobicContact CG2-CE2 4.17Å; I65-F67 WeakPolarHBondContact O-CD2 3.25Å; I65-F67 PolarHBondContact O-N 3.48Å
66	S	29.5	Very low	38.9	Very low	94 Å²	94	123.2 Å²	123.2	66%	0.657	62%	0.623	S	S	*	*			trans	-66.8	111.9	172.1	-173.5	0	0	0	0	108.5	A64 C68	A64-S66 PolarHBondContact O-N 3.4Å; S66-C68 VanDerWaalsContact C-N 3.3Å; S66-C68 PolarHBondContact O-N 3.48Å
67	F	31.1	Very low	39.7	Very low	98 Å²	98	121.5 Å²	121.5	43%	0.43	61%	0.611	S	S	.	*			trans	-70.9	89.2	173.6	-83.9	-117.8	0	0	0	108.8	I65 S69	I65-F67 HydrophobicContact CG2-CD2 4.3Å; I65-F67 HydrophobicContact CG2-CE2 4.17Å; I65-F67 WeakPolarHBondContact O-CD2 3.25Å; I65-F67 PolarHBondContact O-N 3.48Å; F67-S69 PolarHBondContact O-N 3.2Å
68	C	29.4	Very low	40.9	Very low	125 Å²	125	115.9 Å²	115.9	85%	0.845	60%	0.595	S	S	*	*	S	Bend	trans	-69.7	58.7	167.2	-71.5	0	0	0	0	111.5	S66	S66-C68 VanDerWaalsContact C-N 3.3Å; S66-C68 PolarHBondContact O-N 3.48Å
69	S	41.2	Very low	41.8	Very low	39 Å²	39	108.1 Å²	108.1	27%	0.273	57%	0.57	S	S	.	*			trans	-146.9	56.8	167.1	-158.8	0	0	0	0	108.1	F67 P71 M72 R73	F67-S69 PolarHBondContact O-N 3.2Å; S69-P71 VanDerWaalsContact C-N 3.31Å; S69-M72 PolarHBondContact O-N 3.09Å; S69-M72 WeakPolarHBondContact OG-CB 3.36Å; S69-R73 PolarHBondContact O-N 3.44Å
70	E	43.8	Very low	42.6	Very low	113 Å²	113	99.9 Å²	99.9	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-52.8	-38.9	179	-74.3	-165.4	74.7	0	0	114.3	M72 R73 R74	E70-M72 VanDerWaalsContact C-N 3.31Å; E70-M72 PolarHBondContact O-N 3.43Å; E70-R73 PolarHBondContact O-N 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.4Å; E70-R74 PolarHBondContact O-N 2.99Å; E70-R74 IonicContact OE1-CZ 3.41Å; E70-R74 IonicContact OE1-NE 2.7Å; E70-R74 IonicContact OE1-NH2 3.44Å; E70-R74 PolarHBondContact OE1-NH2 3.27Å
71	P	44.5	Very low	44	Very low	90 Å²	90	96.9 Å²	96.9	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-59.2	-43.6	173	-23.5	34.3	0	0	0	111.5	S69 H75	S69-P71 VanDerWaalsContact C-N 3.31Å; P71-H75 PolarHBondContact O-N 3.46Å; P71-H75 PolarHBondContact O-ND1 3.19Å
72	M	39.3	Very low	45.3	Very low	51 Å²	51	98 Å²	98	25%	0.251	53%	0.528	S	S	.	.	H	α-helix	trans	-72.4	-42.6	-179	-166	165.2	178.7	0	0	111.5	S69 E70 W76 F357	S69-M72 PolarHBondContact O-N 3.09Å; S69-M72 WeakPolarHBondContact OG-CB 3.36Å; E70-M72 VanDerWaalsContact C-N 3.31Å; E70-M72 PolarHBondContact O-N 3.43Å; M72-W76 VanDerWaalsContact O-CB 3.25Å; M72-W76 WeakPolarHBondContact O-CB 3.23Å; M72-W76 PolarHBondContact O-N 3.49Å; M72-F357 HydrophobicContact CE-CD1 4.5Å; M72-F357 HydrophobicContact CE-CE1 3.77Å; M72-F357 HydrophobicContact CE-CZ 4.27Å; M72-F357 HydrophobicContact SD-CE1 4.44Å
73	R	44.6	Very low	46.2	Very low	140 Å²	140	94.6 Å²	94.6	53%	0.528	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-46.1	179.1	178.7	174.4	-82.5	-131.9	-1.6	112.2	S69 E70 W76 S77	S69-R73 PolarHBondContact O-N 3.44Å; E70-R73 PolarHBondContact O-N 3.3Å; R73-W76 PolarHBondContact O-N 3.42Å; R73-S77 PolarHBondContact O-N 3.02Å; R73-S77 PolarHBondContact O-OG 3.12Å; R73-S77 VanDerWaalsContact O-OG 3.12Å
74	R	45.6	Very low	47.8	Very low	151 Å²	151	93.5 Å²	93.5	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-66.7	-47.7	-179.5	-65.4	180	-164.5	-144.4	7	111.5	E70 W76 S77 H78	E70-R74 WeakPolarHBondContact O-CG 3.4Å; E70-R74 PolarHBondContact O-N 2.99Å; E70-R74 IonicContact OE1-CZ 3.41Å; E70-R74 IonicContact OE1-NE 2.7Å; E70-R74 IonicContact OE1-NH2 3.44Å; E70-R74 PolarHBondContact OE1-NH2 3.27Å; R74-W76 VanDerWaalsContact C-N 3.3Å; R74-W76 PolarHBondContact O-N 3.31Å; R74-S77 PolarHBondContact O-N 3.5Å; R74-S77 PolarHBondContact O-OG 3.26Å; R74-H78 PolarHBondContact O-CD2 2.98Å; R74-H78 PolarHBondContact O-N 3.42Å
75	H	54.8	Low	49.6	Very low	128 Å²	128	91.4 Å²	91.4	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-63.8	-35.1	176.2	-67.1	107.5	0	0	0	112.3	P71 L79	P71-H75 PolarHBondContact O-N 3.46Å; P71-H75 PolarHBondContact O-ND1 3.19Å; H75-L79 VanDerWaalsContact O-CB 3.26Å; H75-L79 WeakPolarHBondContact O-CB 3.41Å; H75-L79 VanDerWaalsContact O-CG 3.31Å; H75-L79 WeakPolarHBondContact O-CG 3.35Å; H75-L79 PolarHBondContact O-N 2.95Å
76	W	47.3	Very low	51.3	Low	68 Å²	68	86.1 Å²	86.1	26%	0.258	46%	0.46	S	S	.	.	H	α-helix	trans	-66.5	-47.5	172.9	-97.5	73.3	0	0	0	113.1	M72 R73 R74 H78 L79 V80 F360 W449	M72-W76 VanDerWaalsContact O-CB 3.25Å; M72-W76 WeakPolarHBondContact O-CB 3.23Å; M72-W76 PolarHBondContact O-N 3.49Å; R73-W76 PolarHBondContact O-N 3.42Å; R74-W76 VanDerWaalsContact C-N 3.3Å; R74-W76 PolarHBondContact O-N 3.31Å; W76-H78 VanDerWaalsContact C-N 3.27Å; W76-H78 PolarHBondContact O-N 2.93Å; W76-L79 PolarHBondContact O-N 3.02Å; W76-V80 HydrophobicContact CE3-CG2 3.67Å; W76-V80 HydrophobicContact CZ3-CG2 3.88Å; W76-V80 WeakPolarHBondContact O-CB 3.2Å; W76-V80 WeakPolarHBondContact O-CG2 3.39Å; W76-V80 PolarHBondContact O-N 3.18Å; W76-F360 AromaticContact CH2-CE1 3.51Å; W76-F360 HydrophobicContact CH2-CE1 3.51Å; W76-F360 AromaticContact CH2-CZ 3.65Å; W76-F360 HydrophobicContact CH2-CZ 3.65Å; W76-F360 HydrophobicContact CZ2-CE1 4.02Å; W76-F360 HydrophobicContact CZ2-CZ 4.41Å; W76-F360 HydrophobicContact CZ3-CE1 4.49Å; W76-F360 HydrophobicContact CZ3-CZ 4.23Å; W76-W449 HydrophobicContact CZ2-CH2 4.1Å; W76-W449 AromaticContact CZ2-CZ2 3.97Å; W76-W449 HydrophobicContact CZ2-CZ2 3.97Å
77	S	52.1	Low	52.8	Low	64 Å²	64	82.6 Å²	82.6	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-37.6	177.7	54.4	0	0	0	0	111.6	R73 R74 S81	R73-S77 PolarHBondContact O-N 3.02Å; R73-S77 PolarHBondContact O-OG 3.12Å; R73-S77 VanDerWaalsContact O-OG 3.12Å; R74-S77 PolarHBondContact O-N 3.5Å; R74-S77 PolarHBondContact O-OG 3.26Å; S77-S81 WeakPolarHBondContact O-CB 3.37Å; S77-S81 PolarHBondContact O-N 3.01Å
78	H	57	Low	54.7	Low	121 Å²	121	83 Å²	83	56%	0.56	44%	0.443	S	S	*	.	H	α-helix	trans	-72.7	-44.4	175.9	-66.6	-54.3	0	0	0	112.6	R74 W76 S81 M82	R74-H78 PolarHBondContact O-CD2 2.98Å; R74-H78 PolarHBondContact O-N 3.42Å; W76-H78 VanDerWaalsContact C-N 3.27Å; W76-H78 PolarHBondContact O-N 2.93Å; H78-S81 PolarHBondContact O-N 3.38Å; H78-M82 VanDerWaalsContact O-CB 3.26Å; H78-M82 WeakPolarHBondContact O-CB 3.12Å; H78-M82 WeakPolarHBondContact O-CG 3.49Å; H78-M82 PolarHBondContact O-N 3.26Å
79	L	57.6	Low	56.6	Low	62 Å²	62	82.9 Å²	82.9	33%	0.325	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-47.1	177.5	-78.6	166.5	0	0	0	112.2	H75 W76 M82 V83 W449	H75-L79 VanDerWaalsContact O-CB 3.26Å; H75-L79 WeakPolarHBondContact O-CB 3.41Å; H75-L79 VanDerWaalsContact O-CG 3.31Å; H75-L79 WeakPolarHBondContact O-CG 3.35Å; H75-L79 PolarHBondContact O-N 2.95Å; W76-L79 PolarHBondContact O-N 3.02Å; L79-M82 PolarHBondContact O-N 2.98Å; L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 3.43Å; L79-W449 HydrophobicContact CD1-CB 4.03Å; L79-W449 HydrophobicContact CD1-CG 4.42Å
80	V	61.2	Low	57.6	Low	64 Å²	64	83.9 Å²	83.9	39%	0.388	44%	0.435	S	S	.	.	H	α-helix	trans	-64.7	-43.5	177.1	174.4	0	0	0	0	110.4	W76 M82 V83 L84	W76-V80 HydrophobicContact CE3-CG2 3.67Å; W76-V80 HydrophobicContact CZ3-CG2 3.88Å; W76-V80 WeakPolarHBondContact O-CB 3.2Å; W76-V80 WeakPolarHBondContact O-CG2 3.39Å; W76-V80 PolarHBondContact O-N 3.18Å; V80-M82 VanDerWaalsContact C-N 3.33Å; V80-M82 PolarHBondContact O-N 3.01Å; V80-V83 PolarHBondContact O-N 3.2Å; V80-L84 HydrophobicContact CG1-CD1 3.73Å; V80-L84 HydrophobicContact CG1-CG 4.24Å; V80-L84 VanDerWaalsContact O-CB 3.3Å; V80-L84 WeakPolarHBondContact O-CB 3.45Å; V80-L84 VanDerWaalsContact O-CG 3.25Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 3.1Å
81	S	66.6	Low	58.3	Low	72 Å²	72	83.9 Å²	83.9	50%	0.503	43%	0.43	S	S	.	.	H	α-helix	trans	-64.5	-34.5	175	-173.7	0	0	0	0	112.6	S77 H78 A85	S77-S81 WeakPolarHBondContact O-CB 3.37Å; S77-S81 PolarHBondContact O-N 3.01Å; H78-S81 PolarHBondContact O-N 3.38Å; S81-A85 WeakPolarHBondContact O-CA 3.46Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 2.82Å
82	M	65.7	Low	59.2	Low	134 Å²	134	82.1 Å²	82.1	66%	0.66	42%	0.423	S	S	*	.	H	α-helix	trans	-72.8	-39.3	176	-76.2	179.3	75.3	0	0	112.8	H78 L79 V80 A86	H78-M82 VanDerWaalsContact O-CB 3.26Å; H78-M82 WeakPolarHBondContact O-CB 3.12Å; H78-M82 WeakPolarHBondContact O-CG 3.49Å; H78-M82 PolarHBondContact O-N 3.26Å; L79-M82 PolarHBondContact O-N 2.98Å; V80-M82 VanDerWaalsContact C-N 3.33Å; V80-M82 PolarHBondContact O-N 3.01Å; M82-A86 WeakPolarHBondContact O-CB 3.33Å; M82-A86 PolarHBondContact O-N 2.79Å
83	V	57.9	Low	60.2	Low	34 Å²	34	87.9 Å²	87.9	21%	0.206	45%	0.446	C	S	.	.	H	α-helix	trans	-67.7	-44.3	174.6	172.5	0	0	0	0	110.4	L79 V80 A86 A87 L404	L79-V83 WeakPolarHBondContact O-CG2 3.41Å; L79-V83 PolarHBondContact O-N 3.43Å; V80-V83 PolarHBondContact O-N 3.2Å; V83-A86 PolarHBondContact O-N 3.48Å; V83-A87 WeakPolarHBondContact O-CB 3.33Å; V83-A87 PolarHBondContact O-N 3.02Å; V83-L404 HydrophobicContact CG1-CD2 4.38Å
84	L	70.1	Confident	60.6	Low	91 Å²	91	84.1 Å²	84.1	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-42.2	175.4	-69.1	175.6	0	0	0	112	V80 A87 L88	V80-L84 HydrophobicContact CG1-CD1 3.73Å; V80-L84 HydrophobicContact CG1-CG 4.24Å; V80-L84 VanDerWaalsContact O-CB 3.3Å; V80-L84 WeakPolarHBondContact O-CB 3.45Å; V80-L84 VanDerWaalsContact O-CG 3.25Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 3.1Å; L84-A87 PolarHBondContact O-N 3.46Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 WeakPolarHBondContact O-CG 3.13Å; L84-L88 PolarHBondContact O-N 2.9Å
85	A	70.4	Confident	61	Low	39 Å²	39	79.3 Å²	79.3	32%	0.322	43%	0.432	S	S	.	.	H	α-helix	trans	-68	-37.6	176.5	0	0	0	0	0	112	S81 L88 L89	S81-A85 WeakPolarHBondContact O-CA 3.46Å; S81-A85 WeakPolarHBondContact O-CB 3.48Å; S81-A85 PolarHBondContact O-N 2.82Å; A85-L88 PolarHBondContact O-N 3.32Å; A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 WeakPolarHBondContact O-CD1 3.32Å; A85-L89 WeakPolarHBondContact O-CG 3.4Å; A85-L89 PolarHBondContact O-N 3.31Å
86	A	67	Low	60.7	Low	31 Å²	31	81.5 Å²	81.5	26%	0.256	44%	0.442	S	S	.	.	H	α-helix	trans	-64.3	-44.5	173	0	0	0	0	0	111.2	M82 V83 L89 L90	M82-A86 WeakPolarHBondContact O-CB 3.33Å; M82-A86 PolarHBondContact O-N 2.79Å; V83-A86 PolarHBondContact O-N 3.48Å; A86-L89 PolarHBondContact O-N 2.81Å; A86-L90 WeakPolarHBondContact O-CB 3.3Å; A86-L90 VanDerWaalsContact O-CG 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.36Å; A86-L90 PolarHBondContact O-N 3.11Å
87	A	61.1	Low	60.3	Low	20 Å²	20	82 Å²	82	17%	0.165	46%	0.461	C	S	.	.	H	α-helix	trans	-61.8	-45.1	174.6	0	0	0	0	0	111.9	V83 L84 L90 W91	V83-A87 WeakPolarHBondContact O-CB 3.33Å; V83-A87 PolarHBondContact O-N 3.02Å; L84-A87 PolarHBondContact O-N 3.46Å; A87-L90 PolarHBondContact O-N 2.97Å; A87-W91 WeakPolarHBondContact O-CB 3.13Å; A87-W91 PolarHBondContact O-N 3.04Å
88	L	70.9	Confident	59.8	Low	106 Å²	106	82.8 Å²	82.8	56%	0.555	47%	0.472	S	S	*	.	H	α-helix	trans	-66.3	-38.3	177.5	-74.3	166.3	0	0	0	112.9	L84 A85 A92	L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.33Å; L84-L88 WeakPolarHBondContact O-CG 3.13Å; L84-L88 PolarHBondContact O-N 2.9Å; A85-L88 PolarHBondContact O-N 3.32Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 2.78Å
89	L	69.9	Low	58.9	Low	123 Å²	123	83.1 Å²	83.1	64%	0.644	48%	0.484	S	S	*	.	H	α-helix	trans	-73.5	-26.5	177.3	-73.6	168.3	0	0	0	113	A85 A86	A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 WeakPolarHBondContact O-CD1 3.32Å; A85-L89 WeakPolarHBondContact O-CG 3.4Å; A85-L89 PolarHBondContact O-N 3.31Å; A86-L89 PolarHBondContact O-N 2.81Å
90	L	61.9	Low	58	Low	59 Å²	59	90.7 Å²	90.7	31%	0.309	51%	0.51	S	S	.	.	H	α-helix	trans	-76.7	-46.2	169.7	-71	169.2	0	0	0	110.7	A86 A87 A92 K93 T94 L460	A86-L90 WeakPolarHBondContact O-CB 3.3Å; A86-L90 VanDerWaalsContact O-CG 3.26Å; A86-L90 WeakPolarHBondContact O-CG 3.36Å; A86-L90 PolarHBondContact O-N 3.11Å; A87-L90 PolarHBondContact O-N 2.97Å; L90-A92 PolarHBondContact O-N 2.76Å; L90-K93 WeakPolarHBondContact O-CB 2.98Å; L90-K93 PolarHBondContact O-N 3.42Å; L90-T94 PolarHBondContact O-N 3.49Å; L90-L460 HydrophobicContact CD1-CB 3.86Å
91	W	59.4	Low	56.8	Low	114 Å²	114	93.1 Å²	93.1	43%	0.432	53%	0.53	S	S	.	.	H	α-helix	trans	-62.7	-41.8	178.5	-176.9	76	0	0	0	112.8	A87 K93 T94 A95	A87-W91 WeakPolarHBondContact O-CB 3.13Å; A87-W91 PolarHBondContact O-N 3.04Å; W91-K93 PolarHBondContact O-N 2.88Å; W91-T94 PolarHBondContact O-N 2.79Å; W91-T94 PolarHBondContact O-OG1 3.02Å; W91-A95 WeakPolarHBondContact O-CB 3.16Å; W91-A95 PolarHBondContact O-N 3.13Å
92	A	62.5	Low	55.3	Low	52 Å²	52	95.4 Å²	95.4	43%	0.43	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.4	173.9	0	0	0	0	0	113.1	L88 L90	L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 2.78Å; L90-A92 PolarHBondContact O-N 2.76Å
93	K	60	Low	53.7	Low	172 Å²	172	94.2 Å²	94.2	75%	0.748	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.8	174.2	-83	177.9	164.3	-99.6	0	114.2	L90 W91	L90-K93 WeakPolarHBondContact O-CB 2.98Å; L90-K93 PolarHBondContact O-N 3.42Å; W91-K93 PolarHBondContact O-N 2.88Å
94	T	54.7	Low	52.5	Low	61 Å²	61	100.2 Å²	100.2	37%	0.374	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.8	-21.6	175.6	53.6	0	0	0	0	112.9	L90 W91 E96	L90-T94 PolarHBondContact O-N 3.49Å; W91-T94 PolarHBondContact O-N 2.79Å; W91-T94 PolarHBondContact O-OG1 3.02Å; T94-E96 VanDerWaalsContact C-N 3.33Å; T94-E96 PolarHBondContact O-N 3.18Å
95	A	53.5	Low	50.8	Low	50 Å²	50	103.9 Å²	103.9	41%	0.413	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-1.5	-175.2	0	0	0	0	0	115.6	W91 A97	W91-A95 WeakPolarHBondContact O-CB 3.16Å; W91-A95 PolarHBondContact O-N 3.13Å; A95-A97 VanDerWaalsContact C-N 3.26Å; A95-A97 PolarHBondContact O-N 3.02Å
96	E	47.1	Very low	48.8	Very low	174 Å²	174	106.5 Å²	106.5	81%	0.813	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	16.9	-176.4	-66.6	-176.7	129.4	0	0	114.1	T94	T94-E96 VanDerWaalsContact C-N 3.33Å; T94-E96 PolarHBondContact O-N 3.18Å
97	A	39.3	Very low	47.3	Very low	80 Å²	80	113.3 Å²	113.3	66%	0.661	64%	0.638	S	S	*	*			trans	-136.9	75.5	-175.4	0	0	0	0	0	113.6	A95	A95-A97 VanDerWaalsContact C-N 3.26Å; A95-A97 PolarHBondContact O-N 3.02Å
98	A	41	Very low	45.8	Very low	80 Å²	80	120.6 Å²	120.6	66%	0.661	67%	0.669	S	S	*	*			trans	-150.9	124.8	173.8	0	0	0	0	0	113.7
99	P	38.4	Very low	44	Very low	128 Å²	128	124.1 Å²	124.1	83%	0.831	68%	0.682	S	S	*	*			trans	-106.9	145	163.3	35.2	-26.9	0	0	0	113
100	Y	38.6	Very low	42	Very low	220 Å²	220	125.6 Å²	125.6	86%	0.863	69%	0.685	S	S	*	*			trans	-63.4	150.9	177.8	-101.4	-124.1	0	0	0	114.5
101	S	36.3	Very low	40.7	Very low	116 Å²	116	131.9 Å²	131.9	81%	0.811	71%	0.713	S	S	*	*				-164.2	165.4	111.4	-153.3	0	0	0	0	114.2
102	T	36.5	Very low	39.3	Very low	119 Å²	119	132.1 Å²	132.1	73%	0.73	72%	0.722	S	S	*	*			trans	-95	167.3	-160	49.4	0	0	0	0	116.5
103	S	30.9	Very low	37.6	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	74%	0.737	S	S	*	*			trans	-83.5	165.6	175.5	55.9	0	0	0	0	114.6
104	L	32.8	Very low	36.1	Very low	160 Å²	160	137.5 Å²	137.5	84%	0.838	74%	0.739	S	S	*	*			trans	-151.6	132.9	149.7	-150.5	70.3	0	0	0	115.3
105	H	35.4	Very low	35.1	Very low	168 Å²	168	142.2 Å²	142.2	78%	0.778	76%	0.756	S	S	*	*			trans	-10.7	146.8	166.2	-64.2	77.1	0	0	0	122.3
106	A	27.5	Very low	34	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	77%	0.769	S	S	*	*			trans	-101.5	161.1	157	0	0	0	0	0	111.3
107	H	34.5	Very low	33.8	Very low	174 Å²	174	146.6 Å²	146.6	81%	0.806	77%	0.77	S	S	*	*			trans	-143.1	131.6	171.1	-121.1	-88.8	0	0	0	110.6
108	H	30.1	Very low	34.6	Very low	174 Å²	174	151.7 Å²	151.7	81%	0.806	77%	0.772	S	S	*	*			trans	-92.8	148.2	170.5	-87.9	-84.8	0	0	0	110.8
109	H	33.1	Very low	35.9	Very low	179 Å²	179	156 Å²	156	83%	0.829	77%	0.771	S	S	*	*			trans	-135.9	140.5	151.9	-97.4	-86.9	0	0	0	110.1
110	H	29.2	Very low	38.2	Very low	155 Å²	155	151.5 Å²	151.5	72%	0.718	74%	0.742	S	S	*	*			trans	-109.5	138.7	179.4	-132.9	-88.3	0	0	0	108.2
111	H	33.6	Very low	40.6	Very low	191 Å²	191	144.6 Å²	144.6	88%	0.884	72%	0.718	S	S	*	*			trans	-144.2	146.5	158.8	-113.9	-89.6	0	0	0	110.3
112	N	29.7	Very low	43.2	Very low	119 Å²	119	145.3 Å²	145.3	64%	0.636	71%	0.709	S	S	*	*			trans	-94.2	155.9	-166.6	-75.3	-28	0	0	0	113.2
113	Q	27.5	Very low	45.9	Very low	160 Å²	160	139.8 Å²	139.8	75%	0.748	67%	0.674	S	S	*	*			trans	21.7	138.7	133.3	-46.8	176.3	0.9	0	0	117.2
114	F	28.5	Very low	48.9	Very low	176 Å²	176	137.5 Å²	137.5	77%	0.772	66%	0.656	S	S	*	*			cis	-171.3	103.3	49.6	-171.1	-86.4	0	0	0	111.4
115	E	32.3	Very low	51.7	Low	160 Å²	160	130.1 Å²	130.1	75%	0.748	62%	0.617	S	S	*	*			trans	-144.8	143.2	162.4	-160.4	158.2	-159.8	0	0	111	R117	E115-R117 PolarHBondContact O-N 3.45Å
116	S	30.7	Very low	54.4	Low	98 Å²	98	125.9 Å²	125.9	69%	0.685	61%	0.605	S	S	*	*			trans	-106.7	56.8	-159.3	62	0	0	0	0	113.8
117	R	42.6	Very low	57.4	Low	219 Å²	219	121.6 Å²	121.6	83%	0.826	57%	0.569	S	S	*	*	S	Bend	trans	-135.9	134	174	-90.5	174.3	162.9	162.6	-6.3	110.7	E115 R119	E115-R117 PolarHBondContact O-N 3.45Å; R117-R119 PolarHBondContact O-N 2.76Å; R117-R119 VanDerWaalsContact O-N 3.13Å
118	R	57.8	Low	60.2	Low	187 Å²	187	113.3 Å²	113.3	71%	0.706	53%	0.53	S	S	*	.			trans	28.7	65.7	170.1	-65.3	-173.5	-179.9	177.3	0.1	115
119	R	67.7	Low	63.1	Low	170 Å²	170	109.7 Å²	109.7	64%	0.642	51%	0.512	S	S	*	.			trans	-74.9	130.3	175.3	-73.1	-172.8	-74.6	-131.3	4.8	110.3	R117	R117-R119 PolarHBondContact O-N 2.76Å; R117-R119 VanDerWaalsContact O-N 3.13Å
120	C	85.9	Confident	65.6	Low	33 Å²	33	105.6 Å²	105.6	22%	0.223	50%	0.504	C	S	.	.			trans	-61.6	143.5	165.9	-54.8	0	0	0	0	110	M135 T136 C181	C120-M135 HydrophobicContact CB-CB 4.37Å; C120-M135 HydrophobicContact CB-CE 3.68Å; C120-T136 WeakPolarHBondContact CA-O 3.25Å; C120-C181 WeakPolarHBondContact CA-SG 3.39Å; C120-C181 HydrophobicContact CB-CB 3.62Å; C120-C181 WeakPolarHBondContact CB-SG 3.32Å; C120-C181 WeakPolarHBondContact SG-CB 3.12Å; C120-C181 CovalentContact SG-SG 2.03Å; C120-C181 PolarHBondContact SG-SG 3.08Å
121	Q	89.5	Confident	68.2	Low	76 Å²	76	99.1 Å²	99.1	36%	0.355	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.8	176.3	61.3	-175.5	12.2	0	0	110.2	M135 T136	Q121-M135 WeakPolarHBondContact O-CA 3.33Å; Q121-T136 HydrophobicContact CG-CG2 4.03Å; Q121-T136 PolarHBondContact N-O 3.2Å; Q121-T136 PolarHBondContact O-N 2.9Å
122	E	91.7	Very high	70.6	Confident	131 Å²	131	93.8 Å²	93.8	61%	0.612	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	146.4	178	-170.5	174	-166.2	0	0	111.1	T124 N134 M135 Q147	E122-T124 PolarHBondContact O-N 3.32Å; E122-N134 CarbonylContact C-O 3.57Å; E122-N134 WeakPolarHBondContact CA-O 3.48Å; E122-M135 HydrophobicContact CB-SD 4.35Å; E122-Q147 PolarHBondContact O-NE2 2.91Å
123	I	92.4	Very high	73.3	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.015	44%	0.444	C	S	.	.			trans	-69.2	113.8	-179.9	-65.4	170.1	0	0	0	110.2	C128 K129 I131 Y133 N134 T136 T178	I123-C128 HydrophobicContact CG2-CB 3.73Å; I123-K129 HydrophobicContact CG2-CG 4.35Å; I123-K129 WeakPolarHBondContact O-CE 3.38Å; I123-K129 WeakPolarHBondContact O-CG 3.3Å; I123-I131 HydrophobicContact CD1-CD1 4.2Å; I123-Y133 HydrophobicContact CD1-CD2 3.96Å; I123-Y133 HydrophobicContact CD1-CE2 3.86Å; I123-N134 WeakPolarHBondContact CG1-O 3.39Å; I123-N134 PolarHBondContact N-O 3.44Å; I123-T136 HydrophobicContact CG1-CG2 3.8Å; I123-T178 HydrophobicContact CG2-CG2 4.44Å
124	T	93.2	Very high	76.1	Confident	60 Å²	60	85.3 Å²	85.3	37%	0.368	43%	0.429	S	S	.	.			trans	-85.1	-36.1	179.3	56.6	0	0	0	0	112.1	E122 P126 K129 Q147 E148	E122-T124 PolarHBondContact O-N 3.32Å; T124-P126 WeakPolarHBondContact O-CD 3.39Å; T124-K129 WeakPolarHBondContact O-CE 3.41Å; T124-K129 PolarHBondContact O-NZ 2.92Å; T124-Q147 VanDerWaalsContact OG1-CB 3.26Å; T124-Q147 WeakPolarHBondContact OG1-CB 3.47Å; T124-Q147 PolarHBondContact OG1-OE1 3.03Å; T124-E148 PolarHBondContact OG1-OE1 3.25Å; T124-E148 VanDerWaalsContact OG1-OE1 3.12Å
125	I	93.5	Very high	79	Confident	6 Å²	6	80.6 Å²	80.6	3%	0.031	41%	0.41	C	S	.	.			trans	-58.7	118.7	-175.1	-50.2	-179.9	0	0	0	111	M127 C128 K129 Q147 A150 V154 T178	I125-M127 VanDerWaalsContact C-N 3.29Å; I125-M127 PolarHBondContact O-N 2.95Å; I125-C128 HydrophobicContact CB-CB 4.38Å; I125-C128 PolarHBondContact O-N 3.27Å; I125-K129 PolarHBondContact O-N 3.15Å; I125-Q147 HydrophobicContact CD1-CB 4.42Å; I125-Q147 VanDerWaalsContact CD1-O 3.29Å; I125-Q147 WeakPolarHBondContact CD1-O 3.47Å; I125-Q147 HydrophobicContact CG1-CB 4.1Å; I125-Q147 WeakPolarHBondContact CG1-O 3.41Å; I125-A150 HydrophobicContact CD1-CB 4.24Å; I125-V154 HydrophobicContact CD1-CG1 4.32Å; I125-V154 HydrophobicContact CG2-CG1 4.02Å; I125-T178 HydrophobicContact CD1-CG2 3.44Å; I125-T178 VanDerWaalsContact CD1-CG2 3.44Å; I125-T178 HydrophobicContact CG1-CG2 4.22Å
126	P	91.8	Very high	81.8	Confident	79 Å²	79	73 Å²	73	51%	0.513	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-55.7	-38.5	-175.3	-28.5	35.8	0	0	0	114.5	T124 C128 W158	T124-P126 WeakPolarHBondContact O-CD 3.39Å; P126-C128 PolarHBondContact O-N 2.85Å; P126-W158 HydrophobicContact CB-CZ3 4.4Å
127	M	90.3	Very high	84.5	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.02	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-65.4	-26.5	-179.3	-153.9	170.7	69.7	0	0	112.9	I125 V154 W158 V161 R170 L173	I125-M127 VanDerWaalsContact C-N 3.29Å; I125-M127 PolarHBondContact O-N 2.95Å; M127-V154 HydrophobicContact CE-CG1 4.4Å; M127-V154 HydrophobicContact CE-CG2 3.68Å; M127-V154 WeakPolarHBondContact CE-O 3.16Å; M127-W158 HydrophobicContact CB-CE3 3.71Å; M127-W158 HydrophobicContact CB-CH2 4.47Å; M127-W158 HydrophobicContact CB-CZ3 3.51Å; M127-W158 HydrophobicContact CG-CD2 4.38Å; M127-W158 HydrophobicContact CG-CE3 3.68Å; M127-W158 HydrophobicContact CG-CZ3 3.81Å; M127-W158 HydrophobicContact SD-CB 4.12Å; M127-W158 HydrophobicContact SD-CD2 4.04Å; M127-W158 HydrophobicContact SD-CE3 3.62Å; M127-W158 HydrophobicContact SD-CG 4.28Å; M127-W158 HydrophobicContact SD-CZ3 4.37Å; M127-V161 HydrophobicContact CE-CG2 4.11Å; M127-V161 HydrophobicContact CG-CG1 4.4Å; M127-V161 HydrophobicContact SD-CB 4.06Å; M127-V161 HydrophobicContact SD-CG1 4.2Å; M127-V161 HydrophobicContact SD-CG2 3.85Å; M127-R170 VanDerWaalsContact O-CZ 3.25Å; M127-R170 PolarHBondContact O-NE 3.47Å; M127-R170 PolarHBondContact O-NH2 3.14Å; M127-L173 HydrophobicContact CE-CD1 4.25Å
128	C	93.1	Very high	86.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-105.8	2.4	-170.6	-61.8	0	0	0	0	114.6	I123 I125 P126 I131 C174	I123-C128 HydrophobicContact CG2-CB 3.73Å; I125-C128 HydrophobicContact CB-CB 4.38Å; I125-C128 PolarHBondContact O-N 3.27Å; P126-C128 PolarHBondContact O-N 2.85Å; C128-I131 HydrophobicContact CB-CD1 4.33Å; C128-I131 WeakPolarHBondContact O-CD1 3.25Å; C128-I131 WeakPolarHBondContact O-CG1 3.46Å; C128-I131 WeakPolarHBondContact O-CG2 3.46Å; C128-C174 WeakPolarHBondContact CA-SG 3.42Å; C128-C174 HydrophobicContact CB-CB 3.61Å; C128-C174 WeakPolarHBondContact CB-SG 3.1Å; C128-C174 WeakPolarHBondContact SG-CB 3.35Å; C128-C174 CovalentContact SG-SG 2.04Å; C128-C174 PolarHBondContact SG-SG 3.43Å
129	K	91.4	Very high	88.2	Confident	98 Å²	98	56 Å²	56	43%	0.426	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	140.6	171.7	-73.3	176.8	173.6	171.1	0	111.6	I123 T124 I125 I131 R170	I123-K129 HydrophobicContact CG2-CG 4.35Å; I123-K129 WeakPolarHBondContact O-CE 3.38Å; I123-K129 WeakPolarHBondContact O-CG 3.3Å; T124-K129 WeakPolarHBondContact O-CE 3.41Å; T124-K129 PolarHBondContact O-NZ 2.92Å; I125-K129 PolarHBondContact O-N 3.15Å; K129-I131 PolarHBondContact O-N 2.86Å; K129-R170 PolarHBondContact O-NH2 3.12Å
130	S	84.7	Confident	89.2	Confident	93 Å²	93	48.2 Å²	48.2	65%	0.65	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	46.5	176.6	-49.3	0	0	0	0	114.1
131	I	85.3	Confident	89.2	Confident	19 Å²	19	51.4 Å²	51.4	10%	0.097	29%	0.29	C	S	.	.	S	Bend	trans	-95.2	7.5	176.1	58.9	-179	0	0	0	113.7	I123 C128 K129 Y133 F171 C174	I123-I131 HydrophobicContact CD1-CD1 4.2Å; C128-I131 HydrophobicContact CB-CD1 4.33Å; C128-I131 WeakPolarHBondContact O-CD1 3.25Å; C128-I131 WeakPolarHBondContact O-CG1 3.46Å; C128-I131 WeakPolarHBondContact O-CG2 3.46Å; K129-I131 PolarHBondContact O-N 2.86Å; I131-Y133 HydrophobicContact CD1-CE1 3.87Å; I131-Y133 HydrophobicContact CD1-CE2 3.85Å; I131-Y133 VanDerWaalsContact CD1-CZ 3.45Å; I131-Y133 WeakPolarHBondContact CD1-OH 3.36Å; I131-Y133 HydrophobicContact CG1-CD1 4.3Å; I131-Y133 HydrophobicContact CG1-CE1 4.02Å; I131-Y133 HydrophobicContact CG1-CE2 4.39Å; I131-F171 WeakPolarHBondContact O-CD2 3.35Å; I131-C174 HydrophobicContact CD1-CB 3.35Å; I131-C174 HydrophobicContact CG2-CB 4.37Å
132	G	83.5	Confident	89.2	Confident	78 Å²	78	50 Å²	50	80%	0.804	28%	0.283	S	S	*	.	S	Bend	trans	111.8	-16.9	-173	0	0	0	0	0	113.8
133	Y	86	Confident	89.1	Confident	22 Å²	22	49.3 Å²	49.3	9%	0.086	28%	0.284	C	S	.	.			trans	-145.3	154.9	167.7	57.9	-86.9	0	0	0	109.6	I123 I131 F171 C174 S175 T178 I180 M234	I123-Y133 HydrophobicContact CD1-CD2 3.96Å; I123-Y133 HydrophobicContact CD1-CE2 3.86Å; I131-Y133 HydrophobicContact CD1-CE1 3.87Å; I131-Y133 HydrophobicContact CD1-CE2 3.85Å; I131-Y133 VanDerWaalsContact CD1-CZ 3.45Å; I131-Y133 WeakPolarHBondContact CD1-OH 3.36Å; I131-Y133 HydrophobicContact CG1-CD1 4.3Å; I131-Y133 HydrophobicContact CG1-CE1 4.02Å; I131-Y133 HydrophobicContact CG1-CE2 4.39Å; Y133-F171 HydrophobicContact CE1-CE2 4.09Å; Y133-C174 PolarHBondContact OH-O 3.3Å; Y133-S175 VanDerWaalsContact OH-CA 3.27Å; Y133-S175 WeakPolarHBondContact OH-CA 3.49Å; Y133-S175 PolarHBondContact OH-N 3.33Å; Y133-T178 WeakPolarHBondContact CE2-O 3.25Å; Y133-T178 PolarHBondContact OH-O 3.25Å; Y133-I180 HydrophobicContact CD1-CB 4.2Å; Y133-I180 HydrophobicContact CD1-CD1 3.93Å; Y133-I180 HydrophobicContact CD1-CG1 4.21Å; Y133-I180 HydrophobicContact CD2-CB 3.71Å; Y133-I180 HydrophobicContact CD2-CD1 4.24Å; Y133-I180 HydrophobicContact CD2-CG1 3.68Å; Y133-I180 HydrophobicContact CE1-CB 4.26Å; Y133-I180 HydrophobicContact CE2-CB 3.75Å; Y133-I180 HydrophobicContact CE2-CG1 4.27Å; Y133-I180 HydrophobicContact CG-CB 3.95Å; Y133-I180 HydrophobicContact CG-CD1 3.68Å; Y133-I180 HydrophobicContact CG-CG1 3.66Å; Y133-M234 HydrophobicContact CE1-CE 4.25Å; Y133-M234 HydrophobicContact CE1-SD 4.4Å
134	N	86.2	Confident	89	Confident	80 Å²	80	50.6 Å²	50.6	43%	0.428	29%	0.29	S	S	.	.			trans	-117.1	-4.3	-176.1	-67.1	-6.4	0	0	0	113.6	E122 I123	E122-N134 CarbonylContact C-O 3.57Å; E122-N134 WeakPolarHBondContact CA-O 3.48Å; I123-N134 WeakPolarHBondContact CG1-O 3.39Å; I123-N134 PolarHBondContact N-O 3.44Å
135	M	88.7	Confident	88.8	Confident	77 Å²	77	53.9 Å²	53.9	38%	0.379	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.4	-176.5	-60.4	-57.6	-68.5	0	0	111.2	C120 Q121 E122 I180 C181	C120-M135 HydrophobicContact CB-CB 4.37Å; C120-M135 HydrophobicContact CB-CE 3.68Å; Q121-M135 WeakPolarHBondContact O-CA 3.33Å; E122-M135 HydrophobicContact CB-SD 4.35Å; M135-I180 WeakPolarHBondContact O-CA 3.35Å; M135-C181 PolarHBondContact O-N 2.96Å
136	T	91	Very high	88.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	165.9	178.2	-174.2	0	0	0	0	110.8	C120 Q121 I123 M138 Q147 T178 P179	C120-T136 WeakPolarHBondContact CA-O 3.25Å; Q121-T136 HydrophobicContact CG-CG2 4.03Å; Q121-T136 PolarHBondContact N-O 3.2Å; Q121-T136 PolarHBondContact O-N 2.9Å; I123-T136 HydrophobicContact CG1-CG2 3.8Å; T136-M138 HydrophobicContact CG2-CE 4.32Å; T136-Q147 HydrophobicContact CG2-CG 4.24Å; T136-T178 VanDerWaalsContact OG1-CA 3.3Å; T136-T178 WeakPolarHBondContact OG1-CA 3.47Å; T136-P179 VanDerWaalsContact CA-O 3.29Å; T136-P179 WeakPolarHBondContact CA-O 3.4Å; T136-P179 PolarHBondContact OG1-O 3.09Å
137	Q	88.1	Confident	88.8	Confident	52 Å²	52	52.5 Å²	52.5	24%	0.243	29%	0.291	C	S	.	.			trans	-127	152	166.9	51.1	149.4	77.1	0	0	111.4	P179 C181	Q137-P179 PolarHBondContact N-O 3.31Å; Q137-C181 HydrophobicContact CB-CB 4.02Å; Q137-C181 HydrophobicContact CG-CB 4Å
138	M	88.2	Confident	88.9	Confident	33 Å²	33	57.6 Å²	57.6	16%	0.163	32%	0.315	C	S	.	.	S	Bend	trans	-119.2	151.4	170.9	-65.8	-63.4	142.2	0	0	110.2	T136 N140 Q145 Q147 Y177 T178	T136-M138 HydrophobicContact CG2-CE 4.32Å; M138-N140 HydrophobicContact CE-CB 4.33Å; M138-N140 HydrophobicContact SD-CB 3.97Å; M138-Q145 WeakPolarHBondContact CB-O 3.41Å; M138-Q147 HydrophobicContact CE-CG 3.89Å; M138-Q147 HydrophobicContact CG-CG 4.41Å; M138-Y177 WeakPolarHBondContact CE-O 3.27Å; M138-T178 HydrophobicContact CE-CG2 4.25Å
139	P	89.2	Confident	88.8	Confident	61 Å²	61	60.5 Å²	60.5	40%	0.396	33%	0.33	S	S	.	.	S	Bend	cis	-71.2	151.3	-0.9	29.2	-35.3	0	0	0	113.9	H144	P139-H144 WeakPolarHBondContact CA-O 3.44Å; P139-H144 WeakPolarHBondContact CB-O 3.48Å
140	N	89	Confident	88.9	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	31%	0.31	C	S	.	.			trans	-80	176.5	170.9	70.3	22.1	0	0	0	111.4	M138 F142 N143 H144 A150 Y177 P179	M138-N140 HydrophobicContact CE-CB 4.33Å; M138-N140 HydrophobicContact SD-CB 3.97Å; N140-F142 PolarHBondContact O-N 3.16Å; N140-F142 VanDerWaalsContact O-N 3.1Å; N140-F142 WeakPolarHBondContact OD1-CA 3.36Å; N140-F142 PolarHBondContact OD1-N 3.42Å; N140-N143 WeakPolarHBondContact O-CA 3.42Å; N140-N143 PolarHBondContact O-N 2.95Å; N140-N143 PolarHBondContact OD1-N 2.93Å; N140-H144 PolarHBondContact N-O 2.76Å; N140-H144 PolarHBondContact ND2-ND1 3.3Å; N140-H144 VanDerWaalsContact ND2-ND1 3.18Å; N140-H144 PolarHBondContact OD1-N 3.43Å; N140-H144 PolarHBondContact OD1-ND1 2.61Å; N140-A150 WeakPolarHBondContact ND2-CB 3.47Å; N140-Y177 WeakPolarHBondContact CB-O 3.16Å; N140-Y177 PolarHBondContact ND2-O 3.01Å; N140-P179 HydrophobicContact CB-CG 4.16Å
141	Q	87	Confident	89.3	Confident	101 Å²	101	51.8 Å²	51.8	47%	0.472	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.3	-177.3	76.8	-164.9	-56.9	0	0	114.5	M176	Q141-M176 VanDerWaalsContact NE2-CE 3.33Å; Q141-M176 PolarHBondContact NE2-O 2.84Å; Q141-M176 PolarHBondContact NE2-SD 3.17Å
142	F	90.2	Very high	89.7	Confident	46 Å²	46	57 Å²	57	20%	0.202	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7	175	-48.3	-51.6	0	0	0	112.1	N140 H144 M176 Y177 N217 L218	N140-F142 PolarHBondContact O-N 3.16Å; N140-F142 VanDerWaalsContact O-N 3.1Å; N140-F142 WeakPolarHBondContact OD1-CA 3.36Å; N140-F142 PolarHBondContact OD1-N 3.42Å; F142-H144 VanDerWaalsContact C-N 3.32Å; F142-H144 PolarHBondContact O-N 3.18Å; F142-M176 HydrophobicContact CE2-CB 3.99Å; F142-M176 HydrophobicContact CZ-CB 4.03Å; F142-M176 HydrophobicContact CZ-CE 4.17Å; F142-Y177 AromaticContact CD2-CD1 3.74Å; F142-Y177 HydrophobicContact CD2-CD1 3.74Å; F142-Y177 AromaticContact CD2-CE1 3.61Å; F142-Y177 HydrophobicContact CD2-CE1 3.61Å; F142-Y177 HydrophobicContact CD2-CG 4.37Å; F142-Y177 AromaticContact CE2-CD1 3.86Å; F142-Y177 HydrophobicContact CE2-CD1 3.86Å; F142-Y177 HydrophobicContact CE2-CD2 4.2Å; F142-Y177 AromaticContact CE2-CE1 3.67Å; F142-Y177 HydrophobicContact CE2-CE1 3.67Å; F142-Y177 HydrophobicContact CE2-CE2 4.06Å; F142-Y177 HydrophobicContact CE2-CG 4.11Å; F142-Y177 AromaticContact CE2-CZ 3.79Å; F142-N217 HydrophobicContact CD1-CB 4.32Å; F142-N217 HydrophobicContact CE1-CB 3.87Å; F142-N217 HydrophobicContact CZ-CB 4.5Å; F142-L218 HydrophobicContact CZ-CD2 4.06Å
143	N	88.1	Confident	90.1	Very high	117 Å²	117	55.8 Å²	55.8	63%	0.626	28%	0.282	S	S	*	.			trans	66.9	18.2	179.8	-52.9	-70.4	0	0	0	116.3	N140 Q145	N140-N143 WeakPolarHBondContact O-CA 3.42Å; N140-N143 PolarHBondContact O-N 2.95Å; N140-N143 PolarHBondContact OD1-N 2.93Å; N143-Q145 PolarHBondContact O-N 3.46Å; N143-Q145 PolarHBondContact O-NE2 3.06Å
144	H	91.2	Very high	90.5	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.139	28%	0.278	C	S	.	.			trans	-60.7	125.4	167	-61.7	92.9	0	0	0	109.4	P139 N140 F142 D149 A150 E153	P139-H144 WeakPolarHBondContact CA-O 3.44Å; P139-H144 WeakPolarHBondContact CB-O 3.48Å; N140-H144 PolarHBondContact N-O 2.76Å; N140-H144 PolarHBondContact ND2-ND1 3.3Å; N140-H144 VanDerWaalsContact ND2-ND1 3.18Å; N140-H144 PolarHBondContact OD1-N 3.43Å; N140-H144 PolarHBondContact OD1-ND1 2.61Å; F142-H144 VanDerWaalsContact C-N 3.32Å; F142-H144 PolarHBondContact O-N 3.18Å; H144-D149 HydrophobicContact CB-CB 4.19Å; H144-D149 VanDerWaalsContact CD2-C 3.45Å; H144-A150 HydrophobicContact CB-CB 3.88Å; H144-A150 PolarHBondContact CD2-N 2.7Å; H144-E153 IonicContact CE1-OE2 2.88Å; H144-E153 PolarHBondContact CE1-OE2 3.04Å; H144-E153 IonicContact NE2-OE2 2.82Å; H144-E153 PolarHBondContact NE2-OE2 3.44Å
145	Q	89	Confident	90.8	Very high	128 Å²	128	54.4 Å²	54.4	60%	0.598	27%	0.273	S	S	*	.	S	Bend	trans	-84.9	-26.6	-176.6	-58.7	-63.2	-24.2	0	0	112.1	M138 N143	M138-Q145 WeakPolarHBondContact CB-O 3.41Å; N143-Q145 PolarHBondContact O-N 3.46Å; N143-Q145 PolarHBondContact O-NE2 3.06Å
146	T	91.8	Very high	91	Very high	53 Å²	53	57.6 Å²	57.6	33%	0.325	29%	0.287	S	S	.	.	S	Bend	trans	-120.1	166.1	178.6	74.1	0	0	0	0	111.5	E148 D149 A150	T146-E148 WeakPolarHBondContact CB-OE2 3.41Å; T146-E148 PolarHBondContact OG1-N 3.09Å; T146-D149 WeakPolarHBondContact CB-OD2 3.29Å; T146-D149 PolarHBondContact N-OD2 3.22Å; T146-D149 VanDerWaalsContact N-OD2 3.15Å; T146-D149 PolarHBondContact OG1-N 3.45Å; T146-D149 PolarHBondContact OG1-OD2 2.88Å; T146-A150 PolarHBondContact O-N 3.31Å
147	Q	93.3	Very high	91.1	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-74.7	-22.4	171.3	-82.9	-172.9	87.7	0	0	112	E122 T124 I125 T136 M138 G151	E122-Q147 PolarHBondContact O-NE2 2.91Å; T124-Q147 VanDerWaalsContact OG1-CB 3.26Å; T124-Q147 WeakPolarHBondContact OG1-CB 3.47Å; T124-Q147 PolarHBondContact OG1-OE1 3.03Å; I125-Q147 HydrophobicContact CD1-CB 4.42Å; I125-Q147 VanDerWaalsContact CD1-O 3.29Å; I125-Q147 WeakPolarHBondContact CD1-O 3.47Å; I125-Q147 HydrophobicContact CG1-CB 4.1Å; I125-Q147 WeakPolarHBondContact CG1-O 3.41Å; T136-Q147 HydrophobicContact CG2-CG 4.24Å; M138-Q147 HydrophobicContact CE-CG 3.89Å; M138-Q147 HydrophobicContact CG-CG 4.41Å; Q147-G151 WeakPolarHBondContact O-CA 3.37Å; Q147-G151 PolarHBondContact O-N 3.22Å
148	E	91.4	Very high	91.4	Very high	110 Å²	110	60 Å²	60	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-72.6	-42.5	-178.1	-65.2	57.5	-133.4	0	0	109.2	T124 T146 G151 M152	T124-E148 PolarHBondContact OG1-OE1 3.25Å; T124-E148 VanDerWaalsContact OG1-OE1 3.12Å; T146-E148 WeakPolarHBondContact CB-OE2 3.41Å; T146-E148 PolarHBondContact OG1-N 3.09Å; E148-G151 PolarHBondContact O-N 2.95Å; E148-M152 PolarHBondContact O-N 3.06Å; E148-M152 VanDerWaalsContact O-N 3.14Å
149	D	92.3	Very high	91.5	Very high	61 Å²	61	62.3 Å²	62.3	33%	0.326	31%	0.312	S	S	.	.	H	α-helix	trans	-62.1	-51	170.8	-50.1	-51.7	0	0	0	111.3	H144 T146 G151 M152 E153	H144-D149 HydrophobicContact CB-CB 4.19Å; H144-D149 VanDerWaalsContact CD2-C 3.45Å; T146-D149 WeakPolarHBondContact CB-OD2 3.29Å; T146-D149 PolarHBondContact N-OD2 3.22Å; T146-D149 VanDerWaalsContact N-OD2 3.15Å; T146-D149 PolarHBondContact OG1-N 3.45Å; T146-D149 PolarHBondContact OG1-OD2 2.88Å; D149-G151 PolarHBondContact O-N 3.42Å; D149-M152 PolarHBondContact O-N 2.91Å; D149-M152 VanDerWaalsContact O-N 3.09Å; D149-E153 PolarHBondContact O-N 2.95Å
150	A	93.5	Very high	91.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-30.5	177.8	0	0	0	0	0	112.2	I125 N140 H144 T146 V154	I125-A150 HydrophobicContact CD1-CB 4.24Å; N140-A150 WeakPolarHBondContact ND2-CB 3.47Å; H144-A150 HydrophobicContact CB-CB 3.88Å; H144-A150 PolarHBondContact CD2-N 2.7Å; T146-A150 PolarHBondContact O-N 3.31Å; A150-V154 WeakPolarHBondContact O-CB 3.43Å; A150-V154 WeakPolarHBondContact O-CG1 3.34Å; A150-V154 PolarHBondContact O-N 2.68Å
151	G	93.3	Very high	91.8	Very high	8 Å²	8	61.4 Å²	61.4	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-49.3	171.8	0	0	0	0	0	111.8	Q147 E148 D149 E153 V154 H155	Q147-G151 WeakPolarHBondContact O-CA 3.37Å; Q147-G151 PolarHBondContact O-N 3.22Å; E148-G151 PolarHBondContact O-N 2.95Å; D149-G151 PolarHBondContact O-N 3.42Å; G151-E153 VanDerWaalsContact C-N 3.33Å; G151-E153 PolarHBondContact O-N 3.42Å; G151-V154 PolarHBondContact O-N 2.57Å; G151-H155 VanDerWaalsContact O-CB 3.27Å; G151-H155 WeakPolarHBondContact O-CB 3.4Å; G151-H155 PolarHBondContact O-CD2 3.17Å; G151-H155 PolarHBondContact O-N 3.4Å
152	M	92.3	Very high	92	Very high	129 Å²	129	62.4 Å²	62.4	64%	0.635	31%	0.309	S	S	*	.	H	α-helix	trans	-62.9	-33.4	-177.5	-69.4	-174.3	-72.2	0	0	113.7	E148 D149 Q156	E148-M152 PolarHBondContact O-N 3.06Å; E148-M152 VanDerWaalsContact O-N 3.14Å; D149-M152 PolarHBondContact O-N 2.91Å; D149-M152 VanDerWaalsContact O-N 3.09Å; M152-Q156 PolarHBondContact O-NE2 2.8Å
153	E	93.1	Very high	92.1	Very high	53 Å²	53	65.5 Å²	65.5	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-77.2	-50.1	171.2	-164.6	180	173.8	0	0	111.4	H144 D149 G151 H155 Q156 Y177 N217	H144-E153 IonicContact CE1-OE2 2.88Å; H144-E153 PolarHBondContact CE1-OE2 3.04Å; H144-E153 IonicContact NE2-OE2 2.82Å; H144-E153 PolarHBondContact NE2-OE2 3.44Å; D149-E153 PolarHBondContact O-N 2.95Å; G151-E153 VanDerWaalsContact C-N 3.33Å; G151-E153 PolarHBondContact O-N 3.42Å; E153-H155 VanDerWaalsContact C-N 3.31Å; E153-H155 PolarHBondContact O-N 2.88Å; E153-Q156 VanDerWaalsContact O-CB 3.31Å; E153-Q156 WeakPolarHBondContact O-CB 3.28Å; E153-Q156 WeakPolarHBondContact O-CG 3.28Å; E153-Q156 PolarHBondContact O-N 3.15Å; E153-Y177 HydrophobicContact CB-CE1 3.82Å; E153-Y177 VanDerWaalsContact CD-OH 3.25Å; E153-Y177 HydrophobicContact CG-CE1 3.81Å; E153-Y177 PolarHBondContact OE1-OH 3.42Å; E153-Y177 VanDerWaalsContact OE1-OH 3.08Å; E153-Y177 WeakPolarHBondContact OE2-CE1 3.31Å; E153-N217 PolarHBondContact OE1-ND2 3.28Å
154	V	94.1	Very high	92.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-28.3	-173.2	83.5	0	0	0	0	113.5	I125 M127 A150 G151 Q156 F157 L173 Y177	I125-V154 HydrophobicContact CD1-CG1 4.32Å; I125-V154 HydrophobicContact CG2-CG1 4.02Å; M127-V154 HydrophobicContact CE-CG1 4.4Å; M127-V154 HydrophobicContact CE-CG2 3.68Å; M127-V154 WeakPolarHBondContact CE-O 3.16Å; A150-V154 WeakPolarHBondContact O-CB 3.43Å; A150-V154 WeakPolarHBondContact O-CG1 3.34Å; A150-V154 PolarHBondContact O-N 2.68Å; G151-V154 PolarHBondContact O-N 2.57Å; V154-Q156 PolarHBondContact O-N 3.26Å; V154-F157 PolarHBondContact O-N 3.1Å; V154-F157 VanDerWaalsContact O-N 3.15Å; V154-L173 HydrophobicContact CG2-CB 4.07Å; V154-Y177 HydrophobicContact CB-CD1 4.1Å; V154-Y177 HydrophobicContact CB-CD2 3.76Å; V154-Y177 HydrophobicContact CB-CE2 4.19Å; V154-Y177 HydrophobicContact CB-CG 3.71Å; V154-Y177 HydrophobicContact CG2-CD2 3.3Å; V154-Y177 HydrophobicContact CG2-CE2 3.81Å; V154-Y177 HydrophobicContact CG2-CG 3.73Å
155	H	93.2	Very high	92.4	Very high	73 Å²	73	63.6 Å²	63.6	34%	0.338	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-64.8	-19.4	174.4	-91	-83.2	0	0	0	113.5	G151 E153 F157 W158	G151-H155 VanDerWaalsContact O-CB 3.27Å; G151-H155 WeakPolarHBondContact O-CB 3.4Å; G151-H155 PolarHBondContact O-CD2 3.17Å; G151-H155 PolarHBondContact O-N 3.4Å; E153-H155 VanDerWaalsContact C-N 3.31Å; E153-H155 PolarHBondContact O-N 2.88Å; H155-F157 PolarHBondContact O-N 3.27Å; H155-W158 AromaticContact CE1-CE3 3.43Å; H155-W158 VanDerWaalsContact CE1-CE3 3.43Å; H155-W158 AromaticContact CE1-CZ3 3.4Å; H155-W158 WeakPolarHBondContact CE1-CZ3 3.41Å; H155-W158 AromaticContact ND1-CE3 3.32Å; H155-W158 VanDerWaalsContact ND1-CE3 3.32Å; H155-W158 AromaticContact ND1-CZ3 3.81Å; H155-W158 VanDerWaalsContact O-CB 3.25Å; H155-W158 WeakPolarHBondContact O-CB 3.46Å; H155-W158 PolarHBondContact O-N 3.31Å; H155-W158 VanDerWaalsContact O-N 3.07Å
156	Q	92.4	Very high	92.7	Very high	144 Å²	144	58 Å²	58	67%	0.673	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25	174	-59.5	178.1	35.6	0	0	112.1	M152 E153 V154 P159	M152-Q156 PolarHBondContact O-NE2 2.8Å; E153-Q156 VanDerWaalsContact O-CB 3.31Å; E153-Q156 WeakPolarHBondContact O-CB 3.28Å; E153-Q156 WeakPolarHBondContact O-CG 3.28Å; E153-Q156 PolarHBondContact O-N 3.15Å; V154-Q156 PolarHBondContact O-N 3.26Å; Q156-P159 WeakPolarHBondContact O-CD 3.28Å
157	F	93.5	Very high	92.7	Very high	17 Å²	17	59.9 Å²	59.9	8%	0.075	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-86.8	-3.2	176.6	-60.1	-94.2	0	0	0	113.4	V154 H155 P159 L160 V161 L173 Y177 P215 L218	V154-F157 PolarHBondContact O-N 3.1Å; V154-F157 VanDerWaalsContact O-N 3.15Å; H155-F157 PolarHBondContact O-N 3.27Å; F157-P159 VanDerWaalsContact C-CD 3.46Å; F157-P159 VanDerWaalsContact C-N 3.34Å; F157-L160 HydrophobicContact CD1-CD1 4.23Å; F157-L160 WeakPolarHBondContact O-CB 3.49Å; F157-L160 PolarHBondContact O-N 3.04Å; F157-V161 PolarHBondContact O-N 2.98Å; F157-V161 VanDerWaalsContact O-N 3.11Å; F157-L173 HydrophobicContact CB-CD1 3.47Å; F157-L173 VanDerWaalsContact CB-CD1 3.47Å; F157-L173 HydrophobicContact CB-CD2 4.33Å; F157-L173 HydrophobicContact CD1-CD1 4.32Å; F157-L173 HydrophobicContact CD1-CD2 3.91Å; F157-L173 HydrophobicContact CD2-CD2 4.14Å; F157-L173 HydrophobicContact CE1-CD2 4.25Å; F157-L173 HydrophobicContact CE2-CD2 4.47Å; F157-L173 HydrophobicContact CG-CD1 3.94Å; F157-L173 HydrophobicContact CG-CD2 3.86Å; F157-Y177 HydrophobicContact CE2-CE2 4.42Å; F157-P215 HydrophobicContact CE1-CG 4.02Å; F157-P215 HydrophobicContact CZ-CG 4.03Å; F157-L218 HydrophobicContact CE1-CD1 3.82Å; F157-L218 HydrophobicContact CZ-CD1 3.79Å
158	W	92.9	Very high	92.7	Very high	86 Å²	86	60.2 Å²	60.2	33%	0.326	31%	0.31	S	S	.	.	H	α-helix	trans	-52.9	-42.8	-178.7	-167.5	-64.7	0	0	0	113.2	P126 M127 H155 L160 V161 E162	P126-W158 HydrophobicContact CB-CZ3 4.4Å; M127-W158 HydrophobicContact CB-CE3 3.71Å; M127-W158 HydrophobicContact CB-CH2 4.47Å; M127-W158 HydrophobicContact CB-CZ3 3.51Å; M127-W158 HydrophobicContact CG-CD2 4.38Å; M127-W158 HydrophobicContact CG-CE3 3.68Å; M127-W158 HydrophobicContact CG-CZ3 3.81Å; M127-W158 HydrophobicContact SD-CB 4.12Å; M127-W158 HydrophobicContact SD-CD2 4.04Å; M127-W158 HydrophobicContact SD-CE3 3.62Å; M127-W158 HydrophobicContact SD-CG 4.28Å; M127-W158 HydrophobicContact SD-CZ3 4.37Å; H155-W158 AromaticContact CE1-CE3 3.43Å; H155-W158 VanDerWaalsContact CE1-CE3 3.43Å; H155-W158 AromaticContact CE1-CZ3 3.4Å; H155-W158 WeakPolarHBondContact CE1-CZ3 3.41Å; H155-W158 AromaticContact ND1-CE3 3.32Å; H155-W158 VanDerWaalsContact ND1-CE3 3.32Å; H155-W158 AromaticContact ND1-CZ3 3.81Å; H155-W158 VanDerWaalsContact O-CB 3.25Å; H155-W158 WeakPolarHBondContact O-CB 3.46Å; H155-W158 PolarHBondContact O-N 3.31Å; H155-W158 VanDerWaalsContact O-N 3.07Å; W158-L160 VanDerWaalsContact C-N 3.27Å; W158-L160 PolarHBondContact O-N 3.41Å; W158-V161 PolarHBondContact O-N 3.29Å; W158-V161 VanDerWaalsContact O-N 3.13Å; W158-E162 PolarHBondContact NE1-OE2 2.59Å; W158-E162 WeakPolarHBondContact O-CB 3.35Å; W158-E162 PolarHBondContact O-N 2.88Å
159	P	91.2	Very high	92.8	Very high	80 Å²	80	55.1 Å²	55.1	52%	0.519	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-34.9	177.3	-24.5	35.8	0	0	0	113.6	Q156 F157 I163	Q156-P159 WeakPolarHBondContact O-CD 3.28Å; F157-P159 VanDerWaalsContact C-CD 3.46Å; F157-P159 VanDerWaalsContact C-N 3.34Å; P159-I163 VanDerWaalsContact O-CB 3.3Å; P159-I163 WeakPolarHBondContact O-CB 3.44Å; P159-I163 WeakPolarHBondContact O-CD1 3.42Å; P159-I163 WeakPolarHBondContact O-CG1 3.49Å; P159-I163 PolarHBondContact O-N 3.25Å
160	L	92.3	Very high	92.9	Very high	26 Å²	26	56.4 Å²	56.4	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-73.8	-33.6	177.7	-63.5	171.9	0	0	0	111.9	F157 W158 N164 C165 L169 L206 M207	F157-L160 HydrophobicContact CD1-CD1 4.23Å; F157-L160 WeakPolarHBondContact O-CB 3.49Å; F157-L160 PolarHBondContact O-N 3.04Å; W158-L160 VanDerWaalsContact C-N 3.27Å; W158-L160 PolarHBondContact O-N 3.41Å; L160-N164 PolarHBondContact O-N 3.24Å; L160-N164 VanDerWaalsContact O-N 3.13Å; L160-C165 PolarHBondContact O-N 3.49Å; L160-C165 PolarHBondContact O-SG 2.95Å; L160-C165 VanDerWaalsContact O-SG 3.33Å; L160-L169 HydrophobicContact CB-CD2 3.64Å; L160-L206 HydrophobicContact CD2-CD2 3.78Å; L160-L206 HydrophobicContact CD2-CG 4.22Å; L160-M207 HydrophobicContact CD1-CE 4.43Å; L160-M207 HydrophobicContact CD1-CG 3.76Å; L160-M207 HydrophobicContact CD1-SD 3.86Å; L160-M207 HydrophobicContact CD2-CG 4.19Å
161	V	92.5	Very high	92.9	Very high	24 Å²	24	57.6 Å²	57.6	15%	0.145	29%	0.291	C	S	.	.	H	α-helix	trans	-69.5	-43.1	173.7	172.6	0	0	0	0	111.1	M127 F157 W158 N164 L169 R170 L173	M127-V161 HydrophobicContact CE-CG2 4.11Å; M127-V161 HydrophobicContact CG-CG1 4.4Å; M127-V161 HydrophobicContact SD-CB 4.06Å; M127-V161 HydrophobicContact SD-CG1 4.2Å; M127-V161 HydrophobicContact SD-CG2 3.85Å; F157-V161 PolarHBondContact O-N 2.98Å; F157-V161 VanDerWaalsContact O-N 3.11Å; W158-V161 PolarHBondContact O-N 3.29Å; W158-V161 VanDerWaalsContact O-N 3.13Å; V161-N164 WeakPolarHBondContact O-CA 3.27Å; V161-N164 PolarHBondContact O-N 3.31Å; V161-L169 HydrophobicContact CG2-CD2 3.76Å; V161-L169 HydrophobicContact CG2-CG 4.19Å; V161-R170 HydrophobicContact CG1-CB 4.03Å; V161-R170 HydrophobicContact CG1-CG 4.07Å; V161-R170 HydrophobicContact CG2-CB 4.49Å; V161-L173 HydrophobicContact CG2-CD1 3.84Å
162	E	91.3	Very high	93	Very high	122 Å²	122	57.2 Å²	57.2	57%	0.57	29%	0.287	S	S	*	.	H	α-helix	trans	-68.5	-40.9	178.9	-159.5	71	-114.6	0	0	112.2	W158 N164	W158-E162 PolarHBondContact NE1-OE2 2.59Å; W158-E162 WeakPolarHBondContact O-CB 3.35Å; W158-E162 PolarHBondContact O-N 2.88Å; E162-N164 PolarHBondContact O-N 3.31Å
163	I	91.2	Very high	93.1	Very high	111 Å²	111	51.1 Å²	51.1	57%	0.569	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.2	170.2	-69.4	167.6	0	0	0	111.4	P159 C165 L206	P159-I163 VanDerWaalsContact O-CB 3.3Å; P159-I163 WeakPolarHBondContact O-CB 3.44Å; P159-I163 WeakPolarHBondContact O-CD1 3.42Å; P159-I163 WeakPolarHBondContact O-CG1 3.49Å; P159-I163 PolarHBondContact O-N 3.25Å; I163-C165 VanDerWaalsContact C-N 3.33Å; I163-C165 PolarHBondContact O-N 2.85Å; I163-L206 HydrophobicContact CD1-CD2 4.32Å; I163-L206 HydrophobicContact CG2-CD2 3.79Å
164	N	91.9	Very high	93.2	Very high	79 Å²	79	48.6 Å²	48.6	42%	0.422	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	47.3	179.3	-173.3	70.9	0	0	0	112.3	L160 V161 E162 S166	L160-N164 PolarHBondContact O-N 3.24Å; L160-N164 VanDerWaalsContact O-N 3.13Å; V161-N164 WeakPolarHBondContact O-CA 3.27Å; V161-N164 PolarHBondContact O-N 3.31Å; E162-N164 PolarHBondContact O-N 3.31Å; N164-S166 PolarHBondContact O-N 3.23Å; N164-S166 VanDerWaalsContact O-N 3.15Å
165	C	94	Very high	93	Very high	27 Å²	27	48.6 Å²	48.6	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	-62.7	-18.8	179.4	51.3	0	0	0	0	113.6	L160 I163 G202 C203 L206	L160-C165 PolarHBondContact O-N 3.49Å; L160-C165 PolarHBondContact O-SG 2.95Å; L160-C165 VanDerWaalsContact O-SG 3.33Å; I163-C165 VanDerWaalsContact C-N 3.33Å; I163-C165 PolarHBondContact O-N 2.85Å; C165-G202 CarbonylContact O-C 3.58Å; C165-G202 VanDerWaalsContact O-CA 3.22Å; C165-G202 WeakPolarHBondContact O-CA 3.4Å; C165-C203 HydrophobicContact CB-CB 4Å; C165-C203 WeakPolarHBondContact CB-SG 3.39Å; C165-C203 VanDerWaalsContact SG-CA 3.58Å; C165-C203 WeakPolarHBondContact SG-CB 3.4Å; C165-C203 CovalentContact SG-SG 2.04Å; C165-C203 PolarHBondContact SG-SG 3.22Å; C165-L206 HydrophobicContact CB-CD2 4.01Å
166	S	94.7	Very high	93	Very high	10 Å²	10	45.4 Å²	45.4	7%	0.07	23%	0.231	C	C	.	.			trans	-153.8	135.2	164.7	-178.6	0	0	0	0	109.5	N164 D168 L169 R198 C203	N164-S166 PolarHBondContact O-N 3.23Å; N164-S166 VanDerWaalsContact O-N 3.15Å; S166-D168 PolarHBondContact O-N 3.46Å; S166-L169 VanDerWaalsContact O-CB 3.32Å; S166-L169 WeakPolarHBondContact O-CB 3.24Å; S166-L169 PolarHBondContact O-N 3.42Å; S166-L169 VanDerWaalsContact O-N 3.07Å; S166-R198 WeakPolarHBondContact CB-O 3.43Å; S166-R198 PolarHBondContact OG-O 3.27Å; S166-C203 PolarHBondContact N-SG 3.12Å; S166-C203 VanDerWaalsContact N-SG 3.44Å
167	P	92	Very high	93.1	Very high	93 Å²	93	38.5 Å²	38.5	60%	0.604	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.6	179.2	27.8	-35.7	0	0	0	112.3	L169	P167-L169 VanDerWaalsContact C-N 3.32Å
168	D	92.8	Very high	93.1	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.064	20%	0.195	C	C	.	.	H	α-helix	trans	-74.4	-18.9	177.2	-67.7	-72.9	0	0	0	113.4	S166 R170 F171 F172 V195 R198 A199	S166-D168 PolarHBondContact O-N 3.46Å; D168-R170 PolarHBondContact O-N 3.37Å; D168-F171 PolarHBondContact O-N 2.96Å; D168-F172 VanDerWaalsContact O-CB 3.27Å; D168-F172 WeakPolarHBondContact O-CB 3.46Å; D168-F172 PolarHBondContact O-N 2.88Å; D168-V195 HydrophobicContact CB-CG1 3.99Å; D168-R198 HydrophobicContact CB-CB 4.24Å; D168-R198 VanDerWaalsContact CG-NE 3.29Å; D168-R198 IonicContact OD1-CZ 3.69Å; D168-R198 IonicContact OD1-NE 2.79Å; D168-R198 PolarHBondContact OD1-NE 2.87Å; D168-R198 IonicContact OD1-NH2 3.7Å; D168-R198 PolarHBondContact OD1-NH2 2.98Å; D168-R198 WeakPolarHBondContact OD2-CB 3.47Å; D168-R198 IonicContact OD2-CZ 3.05Å; D168-R198 IonicContact OD2-NE 3.46Å; D168-R198 PolarHBondContact OD2-NE 3.27Å; D168-R198 IonicContact OD2-NH2 2.68Å; D168-A199 HydrophobicContact CB-CB 4.45Å
169	L	94.9	Very high	93	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-47	-171.1	-178.6	72.5	0	0	0	112.3	L160 V161 S166 P167 F172 L173 A199 W214	L160-L169 HydrophobicContact CB-CD2 3.64Å; V161-L169 HydrophobicContact CG2-CD2 3.76Å; V161-L169 HydrophobicContact CG2-CG 4.19Å; S166-L169 VanDerWaalsContact O-CB 3.32Å; S166-L169 WeakPolarHBondContact O-CB 3.24Å; S166-L169 PolarHBondContact O-N 3.42Å; S166-L169 VanDerWaalsContact O-N 3.07Å; P167-L169 VanDerWaalsContact C-N 3.32Å; L169-F172 PolarHBondContact O-N 3.41Å; L169-L173 HydrophobicContact CD1-CD1 3.92Å; L169-L173 HydrophobicContact CD1-CG 4.04Å; L169-L173 HydrophobicContact CD2-CD1 4.18Å; L169-L173 HydrophobicContact CG-CD1 3.72Å; L169-L173 HydrophobicContact CG-CG 4.22Å; L169-L173 WeakPolarHBondContact O-CB 2.96Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.33Å; L169-L173 PolarHBondContact O-N 3.03Å; L169-A199 HydrophobicContact CB-CB 4.46Å; L169-A199 HydrophobicContact CD1-CB 4.2Å; L169-W214 HydrophobicContact CD1-CH2 4.08Å; L169-W214 HydrophobicContact CD1-CZ3 4.45Å
170	R	93.9	Very high	93	Very high	89 Å²	89	32.5 Å²	32.5	34%	0.336	17%	0.17	S	C	.	.	H	α-helix	trans	-62.3	-46.2	-177.5	-173.9	-178.6	177.5	-127.9	-6.8	111.4	M127 K129 V161 D168 C174	M127-R170 VanDerWaalsContact O-CZ 3.25Å; M127-R170 PolarHBondContact O-NE 3.47Å; M127-R170 PolarHBondContact O-NH2 3.14Å; K129-R170 PolarHBondContact O-NH2 3.12Å; V161-R170 HydrophobicContact CG1-CB 4.03Å; V161-R170 HydrophobicContact CG1-CG 4.07Å; V161-R170 HydrophobicContact CG2-CB 4.49Å; D168-R170 PolarHBondContact O-N 3.37Å; R170-C174 WeakPolarHBondContact O-CB 3.31Å; R170-C174 PolarHBondContact O-N 2.7Å; R170-C174 VanDerWaalsContact O-N 3.16Å; R170-C174 PolarHBondContact O-SG 2.84Å; R170-C174 VanDerWaalsContact O-SG 3.32Å
171	F	93.1	Very high	92.7	Very high	25 Å²	25	31.9 Å²	31.9	11%	0.11	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-44.8	177.2	176.4	-101	0	0	0	111.3	I131 Y133 D168 S175 A191 V195 M234 A236	I131-F171 WeakPolarHBondContact O-CD2 3.35Å; Y133-F171 HydrophobicContact CE1-CE2 4.09Å; D168-F171 PolarHBondContact O-N 2.96Å; F171-S175 WeakPolarHBondContact O-CB 3.26Å; F171-S175 PolarHBondContact O-N 3.24Å; F171-A191 HydrophobicContact CE1-CB 4.3Å; F171-V195 HydrophobicContact CD1-CG1 3.82Å; F171-V195 HydrophobicContact CE1-CG1 4.28Å; F171-M234 HydrophobicContact CE1-CB 4.3Å; F171-M234 HydrophobicContact CZ-CB 3.83Å; F171-M234 HydrophobicContact CZ-CE 4.31Å; F171-M234 HydrophobicContact CZ-SD 4.44Å; F171-A236 HydrophobicContact CD1-CB 4.04Å; F171-A236 HydrophobicContact CD2-CB 4.26Å; F171-A236 HydrophobicContact CE1-CB 4.05Å; F171-A236 HydrophobicContact CE2-CB 4.26Å; F171-A236 HydrophobicContact CG-CB 4.15Å; F171-A236 HydrophobicContact CZ-CB 4.17Å
172	F	95	Very high	92.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-56.9	177.3	173.2	-118.2	0	0	0	111.9	D168 L169 C174 S175 M176 A191 V195 C196 A199 W214 L218 L223	D168-F172 VanDerWaalsContact O-CB 3.27Å; D168-F172 WeakPolarHBondContact O-CB 3.46Å; D168-F172 PolarHBondContact O-N 2.88Å; L169-F172 PolarHBondContact O-N 3.41Å; F172-C174 PolarHBondContact O-N 3.48Å; F172-S175 PolarHBondContact O-N 3.23Å; F172-S175 VanDerWaalsContact O-N 3.14Å; F172-S175 PolarHBondContact O-OG 3.35Å; F172-M176 HydrophobicContact CD2-CG 4.09Å; F172-M176 HydrophobicContact CE2-CE 4.43Å; F172-M176 HydrophobicContact CE2-CG 3.58Å; F172-M176 HydrophobicContact CE2-SD 3.91Å; F172-M176 HydrophobicContact CZ-CE 4.47Å; F172-M176 HydrophobicContact CZ-CG 3.91Å; F172-M176 HydrophobicContact CZ-SD 4.45Å; F172-M176 WeakPolarHBondContact O-CG 3.33Å; F172-M176 PolarHBondContact O-N 3.24Å; F172-A191 HydrophobicContact CD2-CB 4.32Å; F172-V195 HydrophobicContact CB-CG1 4.09Å; F172-C196 HydrophobicContact CD2-CB 3.99Å; F172-C196 HydrophobicContact CE2-CB 3.62Å; F172-C196 HydrophobicContact CZ-CB 3.91Å; F172-C196 WeakPolarHBondContact CZ-SG 3.5Å; F172-A199 HydrophobicContact CB-CB 4.19Å; F172-A199 HydrophobicContact CD1-CB 3.97Å; F172-A199 HydrophobicContact CG-CB 4.26Å; F172-W214 HydrophobicContact CD1-CZ2 4.36Å; F172-W214 HydrophobicContact CE1-CH2 4.33Å; F172-W214 AromaticContact CE1-CZ2 3.77Å; F172-W214 HydrophobicContact CE1-CZ2 3.77Å; F172-L218 HydrophobicContact CE1-CB 4.09Å; F172-L218 HydrophobicContact CE1-CD1 4.39Å; F172-L218 HydrophobicContact CE1-CD2 4.05Å; F172-L218 HydrophobicContact CE1-CG 4.41Å; F172-L218 HydrophobicContact CZ-CB 4.17Å; F172-L218 HydrophobicContact CZ-CD2 4.06Å; F172-L223 HydrophobicContact CE2-CD1 3.85Å
173	L	95	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.5	-52.1	179.6	-71.6	169.2	0	0	0	110.9	M127 V154 F157 V161 L169 S175 M176 Y177 L218	M127-L173 HydrophobicContact CE-CD1 4.25Å; V154-L173 HydrophobicContact CG2-CB 4.07Å; F157-L173 HydrophobicContact CB-CD1 3.47Å; F157-L173 VanDerWaalsContact CB-CD1 3.47Å; F157-L173 HydrophobicContact CB-CD2 4.33Å; F157-L173 HydrophobicContact CD1-CD1 4.32Å; F157-L173 HydrophobicContact CD1-CD2 3.91Å; F157-L173 HydrophobicContact CD2-CD2 4.14Å; F157-L173 HydrophobicContact CE1-CD2 4.25Å; F157-L173 HydrophobicContact CE2-CD2 4.47Å; F157-L173 HydrophobicContact CG-CD1 3.94Å; F157-L173 HydrophobicContact CG-CD2 3.86Å; V161-L173 HydrophobicContact CG2-CD1 3.84Å; L169-L173 HydrophobicContact CD1-CD1 3.92Å; L169-L173 HydrophobicContact CD1-CG 4.04Å; L169-L173 HydrophobicContact CD2-CD1 4.18Å; L169-L173 HydrophobicContact CG-CD1 3.72Å; L169-L173 HydrophobicContact CG-CG 4.22Å; L169-L173 WeakPolarHBondContact O-CB 2.96Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.33Å; L169-L173 PolarHBondContact O-N 3.03Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 2.73Å; L173-M176 WeakPolarHBondContact O-CA 3.35Å; L173-M176 WeakPolarHBondContact O-CB 3.46Å; L173-M176 PolarHBondContact O-N 3.29Å; L173-Y177 HydrophobicContact CD2-CE2 4.11Å; L173-Y177 VanDerWaalsContact O-CD2 3.28Å; L173-Y177 WeakPolarHBondContact O-CD2 3.36Å; L173-Y177 PolarHBondContact O-N 3.12Å; L173-L218 HydrophobicContact CD2-CD1 3.78Å
174	C	94.6	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-30.2	-178.3	-63.4	0	0	0	0	113.1	C128 I131 Y133 R170 F172 M176 T178	C128-C174 WeakPolarHBondContact CA-SG 3.42Å; C128-C174 HydrophobicContact CB-CB 3.61Å; C128-C174 WeakPolarHBondContact CB-SG 3.1Å; C128-C174 WeakPolarHBondContact SG-CB 3.35Å; C128-C174 CovalentContact SG-SG 2.04Å; C128-C174 PolarHBondContact SG-SG 3.43Å; I131-C174 HydrophobicContact CD1-CB 3.35Å; I131-C174 HydrophobicContact CG2-CB 4.37Å; Y133-C174 PolarHBondContact OH-O 3.3Å; R170-C174 WeakPolarHBondContact O-CB 3.31Å; R170-C174 PolarHBondContact O-N 2.7Å; R170-C174 VanDerWaalsContact O-N 3.16Å; R170-C174 PolarHBondContact O-SG 2.84Å; R170-C174 VanDerWaalsContact O-SG 3.32Å; F172-C174 PolarHBondContact O-N 3.48Å; C174-M176 PolarHBondContact O-N 3.49Å; C174-T178 CarbonylContact O-C 3.4Å; C174-T178 WeakPolarHBondContact O-CA 3.39Å; C174-T178 PolarHBondContact O-N 3.26Å; C174-T178 VanDerWaalsContact O-O 3.06Å; C174-T178 PolarHBondContact O-OG1 2.95Å
175	S	91.9	Very high	89.5	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-23.6	169.4	79.1	0	0	0	0	113.9	Y133 F171 F172 L173 A191	Y133-S175 VanDerWaalsContact OH-CA 3.27Å; Y133-S175 WeakPolarHBondContact OH-CA 3.49Å; Y133-S175 PolarHBondContact OH-N 3.33Å; F171-S175 WeakPolarHBondContact O-CB 3.26Å; F171-S175 PolarHBondContact O-N 3.24Å; F172-S175 PolarHBondContact O-N 3.23Å; F172-S175 VanDerWaalsContact O-N 3.14Å; F172-S175 PolarHBondContact O-OG 3.35Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 2.73Å; S175-A191 VanDerWaalsContact OG-CB 3.28Å; S175-A191 WeakPolarHBondContact OG-CB 3.47Å
176	M	92.3	Very high	88.2	Confident	5 Å²	5	39 Å²	39	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-92.3	-38.6	-179.8	-60.9	-66.6	-80.1	0	0	112.8	Q141 F142 F172 L173 C174 L218 L223	Q141-M176 VanDerWaalsContact NE2-CE 3.33Å; Q141-M176 PolarHBondContact NE2-O 2.84Å; Q141-M176 PolarHBondContact NE2-SD 3.17Å; F142-M176 HydrophobicContact CE2-CB 3.99Å; F142-M176 HydrophobicContact CZ-CB 4.03Å; F142-M176 HydrophobicContact CZ-CE 4.17Å; F172-M176 HydrophobicContact CD2-CG 4.09Å; F172-M176 HydrophobicContact CE2-CE 4.43Å; F172-M176 HydrophobicContact CE2-CG 3.58Å; F172-M176 HydrophobicContact CE2-SD 3.91Å; F172-M176 HydrophobicContact CZ-CE 4.47Å; F172-M176 HydrophobicContact CZ-CG 3.91Å; F172-M176 HydrophobicContact CZ-SD 4.45Å; F172-M176 WeakPolarHBondContact O-CG 3.33Å; F172-M176 PolarHBondContact O-N 3.24Å; L173-M176 WeakPolarHBondContact O-CA 3.35Å; L173-M176 WeakPolarHBondContact O-CB 3.46Å; L173-M176 PolarHBondContact O-N 3.29Å; C174-M176 PolarHBondContact O-N 3.49Å; M176-L218 HydrophobicContact CB-CD2 4.27Å; M176-L218 HydrophobicContact CE-CD2 4.43Å; M176-L218 HydrophobicContact CG-CD2 4.23Å; M176-L223 HydrophobicContact CE-CD2 4.25Å; M176-L223 HydrophobicContact SD-CD2 4.06Å
177	Y	94.4	Very high	86.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-92.8	-34	-177.9	-71.7	-83.7	0	0	0	114.1	M138 N140 F142 E153 V154 F157 L173 P179 L218	M138-Y177 WeakPolarHBondContact CE-O 3.27Å; N140-Y177 WeakPolarHBondContact CB-O 3.16Å; N140-Y177 PolarHBondContact ND2-O 3.01Å; F142-Y177 AromaticContact CD2-CD1 3.74Å; F142-Y177 HydrophobicContact CD2-CD1 3.74Å; F142-Y177 AromaticContact CD2-CE1 3.61Å; F142-Y177 HydrophobicContact CD2-CE1 3.61Å; F142-Y177 HydrophobicContact CD2-CG 4.37Å; F142-Y177 AromaticContact CE2-CD1 3.86Å; F142-Y177 HydrophobicContact CE2-CD1 3.86Å; F142-Y177 HydrophobicContact CE2-CD2 4.2Å; F142-Y177 AromaticContact CE2-CE1 3.67Å; F142-Y177 HydrophobicContact CE2-CE1 3.67Å; F142-Y177 HydrophobicContact CE2-CE2 4.06Å; F142-Y177 HydrophobicContact CE2-CG 4.11Å; F142-Y177 AromaticContact CE2-CZ 3.79Å; E153-Y177 HydrophobicContact CB-CE1 3.82Å; E153-Y177 VanDerWaalsContact CD-OH 3.25Å; E153-Y177 HydrophobicContact CG-CE1 3.81Å; E153-Y177 PolarHBondContact OE1-OH 3.42Å; E153-Y177 VanDerWaalsContact OE1-OH 3.08Å; E153-Y177 WeakPolarHBondContact OE2-CE1 3.31Å; V154-Y177 HydrophobicContact CB-CD1 4.1Å; V154-Y177 HydrophobicContact CB-CD2 3.76Å; V154-Y177 HydrophobicContact CB-CE2 4.19Å; V154-Y177 HydrophobicContact CB-CG 3.71Å; V154-Y177 HydrophobicContact CG2-CD2 3.3Å; V154-Y177 HydrophobicContact CG2-CE2 3.81Å; V154-Y177 HydrophobicContact CG2-CG 3.73Å; F157-Y177 HydrophobicContact CE2-CE2 4.42Å; L173-Y177 HydrophobicContact CD2-CE2 4.11Å; L173-Y177 VanDerWaalsContact O-CD2 3.28Å; L173-Y177 WeakPolarHBondContact O-CD2 3.36Å; L173-Y177 PolarHBondContact O-N 3.12Å; Y177-P179 VanDerWaalsContact C-CD 3.48Å; Y177-P179 WeakPolarHBondContact O-CD 3.36Å; Y177-L218 HydrophobicContact CE2-CD2 4.39Å
178	T	93.4	Very high	86	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-124.1	66.8	175.3	50.2	0	0	0	0	109.9	I123 I125 Y133 T136 M138 C174	I123-T178 HydrophobicContact CG2-CG2 4.44Å; I125-T178 HydrophobicContact CD1-CG2 3.44Å; I125-T178 VanDerWaalsContact CD1-CG2 3.44Å; I125-T178 HydrophobicContact CG1-CG2 4.22Å; Y133-T178 WeakPolarHBondContact CE2-O 3.25Å; Y133-T178 PolarHBondContact OH-O 3.25Å; T136-T178 VanDerWaalsContact OG1-CA 3.3Å; T136-T178 WeakPolarHBondContact OG1-CA 3.47Å; M138-T178 HydrophobicContact CE-CG2 4.25Å; C174-T178 CarbonylContact O-C 3.4Å; C174-T178 WeakPolarHBondContact O-CA 3.39Å; C174-T178 PolarHBondContact O-N 3.26Å; C174-T178 VanDerWaalsContact O-O 3.06Å; C174-T178 PolarHBondContact O-OG1 2.95Å
179	P	91.7	Very high	85.5	Confident	20 Å²	20	46 Å²	46	13%	0.13	25%	0.247	C	C	.	.			trans	-60.7	139.2	-174.3	26.8	-35.7	0	0	0	111.7	T136 Q137 N140 Y177 C181	T136-P179 VanDerWaalsContact CA-O 3.29Å; T136-P179 WeakPolarHBondContact CA-O 3.4Å; T136-P179 PolarHBondContact OG1-O 3.09Å; Q137-P179 PolarHBondContact N-O 3.31Å; N140-P179 HydrophobicContact CB-CG 4.16Å; Y177-P179 VanDerWaalsContact C-CD 3.48Å; Y177-P179 WeakPolarHBondContact O-CD 3.36Å; P179-C181 PolarHBondContact O-N 3.18Å
180	I	89.6	Confident	85.2	Confident	36 Å²	36	47.3 Å²	47.3	19%	0.185	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-53.6	136.6	-178.5	-169.8	173.3	0	0	0	112	Y133 M135 I182 L189 M234	Y133-I180 HydrophobicContact CD1-CB 4.2Å; Y133-I180 HydrophobicContact CD1-CD1 3.93Å; Y133-I180 HydrophobicContact CD1-CG1 4.21Å; Y133-I180 HydrophobicContact CD2-CB 3.71Å; Y133-I180 HydrophobicContact CD2-CD1 4.24Å; Y133-I180 HydrophobicContact CD2-CG1 3.68Å; Y133-I180 HydrophobicContact CE1-CB 4.26Å; Y133-I180 HydrophobicContact CE2-CB 3.75Å; Y133-I180 HydrophobicContact CE2-CG1 4.27Å; Y133-I180 HydrophobicContact CG-CB 3.95Å; Y133-I180 HydrophobicContact CG-CD1 3.68Å; Y133-I180 HydrophobicContact CG-CG1 3.66Å; M135-I180 WeakPolarHBondContact O-CA 3.35Å; I180-I182 HydrophobicContact CD1-CD1 4.21Å; I180-I182 HydrophobicContact CD1-CG1 4.15Å; I180-I182 HydrophobicContact CG1-CG1 4.16Å; I180-L189 HydrophobicContact CG2-CB 3.93Å; I180-L189 HydrophobicContact CG2-CD2 4.12Å; I180-L189 HydrophobicContact CG2-CG 4.39Å; I180-M234 HydrophobicContact CB-SD 4.4Å; I180-M234 HydrophobicContact CD1-SD 4.31Å; I180-M234 HydrophobicContact CG2-CE 3.96Å; I180-M234 HydrophobicContact CG2-SD 3.82Å
181	C	86.8	Confident	85	Confident	13 Å²	13	43 Å²	43	9%	0.088	24%	0.239	C	C	.	.			trans	-113.9	117.7	173	-170.4	0	0	0	0	110.5	C120 M135 Q137 P179	C120-C181 WeakPolarHBondContact CA-SG 3.39Å; C120-C181 HydrophobicContact CB-CB 3.62Å; C120-C181 WeakPolarHBondContact CB-SG 3.32Å; C120-C181 WeakPolarHBondContact SG-CB 3.12Å; C120-C181 CovalentContact SG-SG 2.03Å; C120-C181 PolarHBondContact SG-SG 3.08Å; M135-C181 PolarHBondContact O-N 2.96Å; Q137-C181 HydrophobicContact CB-CB 4.02Å; Q137-C181 HydrophobicContact CG-CB 4Å; P179-C181 PolarHBondContact O-N 3.18Å
182	I	82.9	Confident	84.9	Confident	73 Å²	73	41.9 Å²	41.9	37%	0.374	23%	0.234	S	C	.	.			trans	-115.7	118.2	175.9	-59	170.6	0	0	0	105.9	I180 D184 Y185 L189	I180-I182 HydrophobicContact CD1-CD1 4.21Å; I180-I182 HydrophobicContact CD1-CG1 4.15Å; I180-I182 HydrophobicContact CG1-CG1 4.16Å; I182-D184 PolarHBondContact O-N 3.41Å; I182-D184 VanDerWaalsContact O-N 3.12Å; I182-Y185 PolarHBondContact O-N 3.14Å; I182-Y185 VanDerWaalsContact O-N 3.09Å; I182-L189 HydrophobicContact CD1-CD2 4.26Å
183	P	72.4	Confident	84.9	Confident	112 Å²	112	44.5 Å²	44.5	73%	0.727	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-38.8	-171.2	-30.8	36.5	0	0	0	114.9
184	D	71.5	Confident	84.8	Confident	151 Å²	151	46.1 Å²	46.1	81%	0.807	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.6	-174.8	-50.1	-74.7	0	0	0	114.3	I182	I182-D184 PolarHBondContact O-N 3.41Å; I182-D184 VanDerWaalsContact O-N 3.12Å
185	Y	72.3	Confident	84.7	Confident	70 Å²	70	46.1 Å²	46.1	28%	0.275	26%	0.255	S	S	.	.			trans	-117	100.9	-177.4	-168.8	-104.8	0	0	0	111.9	I182 K187 L189 L232	I182-Y185 PolarHBondContact O-N 3.14Å; I182-Y185 VanDerWaalsContact O-N 3.09Å; Y185-K187 HydrophobicContact CD1-CB 4.41Å; Y185-K187 WeakPolarHBondContact CD1-O 3.47Å; Y185-K187 HydrophobicContact CE1-CB 3.71Å; Y185-K187 WeakPolarHBondContact CE1-O 3.31Å; Y185-K187 PolarHBondContact O-N 2.77Å; Y185-L189 HydrophobicContact CE1-CB 4.17Å; Y185-L189 HydrophobicContact CE1-CD1 4.39Å; Y185-L232 HydrophobicContact CE2-CD1 4.22Å
186	P	67.4	Low	84.9	Confident	106 Å²	106	46.1 Å²	46.1	69%	0.688	26%	0.255	S	S	*	.			trans	-82.9	-7.3	-169	32.1	-37.2	0	0	0	115.4
187	K	68.2	Low	85.1	Confident	118 Å²	118	50.6 Å²	50.6	51%	0.513	28%	0.276	S	S	.	.	S	Bend	trans	-88.5	143.8	175.8	-67.9	-178.2	176.7	-178.5	0	109.7	Y185 D230	Y185-K187 HydrophobicContact CD1-CB 4.41Å; Y185-K187 WeakPolarHBondContact CD1-O 3.47Å; Y185-K187 HydrophobicContact CE1-CB 3.71Å; Y185-K187 WeakPolarHBondContact CE1-O 3.31Å; Y185-K187 PolarHBondContact O-N 2.77Å; K187-D230 PolarHBondContact NZ-O 3.02Å
188	P	71.3	Confident	85.1	Confident	118 Å²	118	54.4 Å²	54.4	77%	0.766	29%	0.29	S	S	*	.			trans	-63.1	138.6	169.1	28.5	-34	0	0	0	110.1	P190	P188-P190 WeakPolarHBondContact O-CD 3.41Å
189	L	83.4	Confident	85.2	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.136	29%	0.29	C	S	.	.			trans	-115	96.4	179.3	-174	68.8	0	0	0	109.3	I180 I182 Y185 L232 M234	I180-L189 HydrophobicContact CG2-CB 3.93Å; I180-L189 HydrophobicContact CG2-CD2 4.12Å; I180-L189 HydrophobicContact CG2-CG 4.39Å; I182-L189 HydrophobicContact CD1-CD2 4.26Å; Y185-L189 HydrophobicContact CE1-CB 4.17Å; Y185-L189 HydrophobicContact CE1-CD1 4.39Å; L189-L232 HydrophobicContact CD1-CB 3.57Å; L189-L232 WeakPolarHBondContact CD1-O 3.37Å; L189-M234 HydrophobicContact CD2-CG 3.84Å; L189-M234 HydrophobicContact CD2-SD 4.09Å; L189-M234 HydrophobicContact CG-CG 3.89Å; L189-M234 HydrophobicContact CG-SD 4.35Å; L189-M234 WeakPolarHBondContact O-CE 3.16Å
190	P	87.3	Confident	85.4	Confident	30 Å²	30	57.4 Å²	57.4	20%	0.195	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-84.1	171.5	-178.8	35.8	-37.1	0	0	0	112	P188 L223 P224 C233 M234	P188-P190 WeakPolarHBondContact O-CD 3.41Å; P190-L223 HydrophobicContact CB-CD2 4.19Å; P190-P224 HydrophobicContact CG-CG 3.69Å; P190-C233 CarbonylContact O-C 3.5Å; P190-C233 VanDerWaalsContact O-CA 3.32Å; P190-C233 WeakPolarHBondContact O-CA 3.18Å; P190-M234 PolarHBondContact O-N 3.36Å
191	A	90.8	Very high	85.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-64.8	149.6	162.3	0	0	0	0	0	111.5	F171 F172 S175 V195 M234	F171-A191 HydrophobicContact CE1-CB 4.3Å; F172-A191 HydrophobicContact CD2-CB 4.32Å; S175-A191 VanDerWaalsContact OG-CB 3.28Å; S175-A191 WeakPolarHBondContact OG-CB 3.47Å; A191-V195 HydrophobicContact CB-CB 4.14Å; A191-V195 HydrophobicContact CB-CG1 4.3Å; A191-V195 HydrophobicContact CB-CG2 4.33Å; A191-M234 CarbonylContact C-O 3.4Å; A191-M234 WeakPolarHBondContact CA-O 3.35Å
192	C	91.8	Very high	85.9	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-67.6	151.3	173.4	-60.1	0	0	0	0	111.1	S194 V195 C233 M234 D235	C192-S194 WeakPolarHBondContact CB-OG 3.35Å; C192-S194 PolarHBondContact O-N 3.08Å; C192-S194 VanDerWaalsContact O-N 3.13Å; C192-V195 HydrophobicContact CB-CG2 4.34Å; C192-V195 WeakPolarHBondContact O-CB 3.49Å; C192-V195 PolarHBondContact O-N 3.3Å; C192-C233 WeakPolarHBondContact CA-SG 3.44Å; C192-C233 HydrophobicContact CB-CB 3.93Å; C192-C233 WeakPolarHBondContact CB-SG 3.19Å; C192-C233 WeakPolarHBondContact SG-CB 3.35Å; C192-C233 PolarHBondContact SG-O 2.66Å; C192-C233 CovalentContact SG-SG 2.04Å; C192-C233 PolarHBondContact SG-SG 3.38Å; C192-M234 PolarHBondContact N-O 3.24Å; C192-M234 VanDerWaalsContact SG-C 3.55Å; C192-D235 HydrophobicContact CB-CB 4.45Å
193	R	93.7	Very high	86.5	Confident	56 Å²	56	56.6 Å²	56.6	21%	0.211	31%	0.312	C	S	.	.	H	α-helix	trans	-47.9	-41.2	175	-178.9	-178.7	-61.2	-127.4	-10.5	113.4	V195 C196 E197 D221 L223 P224	R193-V195 PolarHBondContact O-N 2.86Å; R193-C196 WeakPolarHBondContact O-CB 3.35Å; R193-C196 PolarHBondContact O-N 2.96Å; R193-C196 VanDerWaalsContact O-N 3.11Å; R193-E197 WeakPolarHBondContact CD-OE1 3.48Å; R193-E197 HydrophobicContact CG-CG 4.19Å; R193-E197 VanDerWaalsContact CG-OE1 3.31Å; R193-E197 WeakPolarHBondContact CG-OE1 3.28Å; R193-E197 WeakPolarHBondContact O-CG 3.28Å; R193-E197 PolarHBondContact O-N 3.13Å; R193-D221 IonicContact CZ-OD1 3.71Å; R193-D221 IonicContact NH1-OD1 2.69Å; R193-D221 PolarHBondContact NH1-OD1 3.37Å; R193-D221 VanDerWaalsContact NH2-C 3.34Å; R193-D221 PolarHBondContact NH2-O 3.37Å; R193-L223 HydrophobicContact CB-CB 4.12Å; R193-L223 PolarHBondContact NE-O 3.45Å; R193-L223 VanDerWaalsContact NE-O 3.16Å; R193-L223 PolarHBondContact NH2-O 3.08Å; R193-P224 WeakPolarHBondContact CB-O 3.46Å; R193-P224 PolarHBondContact N-O 3.25Å
194	S	92.8	Very high	87.6	Confident	34 Å²	34	51.4 Å²	51.4	24%	0.238	28%	0.279	C	S	.	.	H	α-helix	trans	-51.6	-40.3	175.8	51.6	0	0	0	0	113.4	C192 R198 D235	C192-S194 WeakPolarHBondContact CB-OG 3.35Å; C192-S194 PolarHBondContact O-N 3.08Å; C192-S194 VanDerWaalsContact O-N 3.13Å; S194-R198 VanDerWaalsContact O-CG 3.27Å; S194-R198 WeakPolarHBondContact O-CG 3.44Å; S194-R198 PolarHBondContact O-N 2.84Å; S194-D235 PolarHBondContact OG-OD2 3.05Å
195	V	92.7	Very high	88.7	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-45	179.9	-172.8	0	0	0	0	110.5	D168 F171 F172 A191 C192 R193 R198 A199 M234 D235	D168-V195 HydrophobicContact CB-CG1 3.99Å; F171-V195 HydrophobicContact CD1-CG1 3.82Å; F171-V195 HydrophobicContact CE1-CG1 4.28Å; F172-V195 HydrophobicContact CB-CG1 4.09Å; A191-V195 HydrophobicContact CB-CB 4.14Å; A191-V195 HydrophobicContact CB-CG1 4.3Å; A191-V195 HydrophobicContact CB-CG2 4.33Å; C192-V195 HydrophobicContact CB-CG2 4.34Å; C192-V195 WeakPolarHBondContact O-CB 3.49Å; C192-V195 PolarHBondContact O-N 3.3Å; R193-V195 PolarHBondContact O-N 2.86Å; V195-R198 PolarHBondContact O-N 2.89Å; V195-A199 WeakPolarHBondContact O-CB 3.34Å; V195-A199 PolarHBondContact O-N 3.44Å; V195-M234 WeakPolarHBondContact CG2-O 3.25Å; V195-D235 HydrophobicContact CG2-CB 4.01Å
196	C	95.8	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-41.7	176.3	-178.7	0	0	0	0	111.7	F172 R193 R198 A199 R200 L218 C220 L223	F172-C196 HydrophobicContact CD2-CB 3.99Å; F172-C196 HydrophobicContact CE2-CB 3.62Å; F172-C196 HydrophobicContact CZ-CB 3.91Å; F172-C196 WeakPolarHBondContact CZ-SG 3.5Å; R193-C196 WeakPolarHBondContact O-CB 3.35Å; R193-C196 PolarHBondContact O-N 2.96Å; R193-C196 VanDerWaalsContact O-N 3.11Å; C196-R198 PolarHBondContact O-N 3.07Å; C196-A199 PolarHBondContact O-N 2.97Å; C196-R200 WeakPolarHBondContact O-CB 3.29Å; C196-R200 PolarHBondContact O-N 2.97Å; C196-L218 PolarHBondContact SG-O 3.44Å; C196-L218 VanDerWaalsContact SG-O 3.41Å; C196-C220 HydrophobicContact CB-CB 3.7Å; C196-C220 WeakPolarHBondContact CB-SG 3.37Å; C196-C220 PolarHBondContact O-SG 3.48Å; C196-C220 WeakPolarHBondContact SG-CA 3.32Å; C196-C220 WeakPolarHBondContact SG-CB 3.37Å; C196-C220 CovalentContact SG-SG 2.04Å; C196-C220 PolarHBondContact SG-SG 3.12Å; C196-L223 HydrophobicContact CB-CD1 3.35Å
197	E	95.9	Very high	90.8	Very high	99 Å²	99	42.2 Å²	42.2	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-42.6	176.9	-72.5	169.5	169.3	0	0	111.6	R193 R200 A201 C220	R193-E197 WeakPolarHBondContact CD-OE1 3.48Å; R193-E197 HydrophobicContact CG-CG 4.19Å; R193-E197 VanDerWaalsContact CG-OE1 3.31Å; R193-E197 WeakPolarHBondContact CG-OE1 3.28Å; R193-E197 WeakPolarHBondContact O-CG 3.28Å; R193-E197 PolarHBondContact O-N 3.13Å; E197-R200 PolarHBondContact O-N 3.05Å; E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.25Å; E197-C220 HydrophobicContact CG-CB 4.23Å
198	R	94.9	Very high	92	Very high	80 Å²	80	42.6 Å²	42.6	30%	0.302	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-37	174	-67.1	-176.3	-43	-115.7	10.4	112.7	S166 D168 S194 V195 C196 G202 D235	S166-R198 WeakPolarHBondContact CB-O 3.43Å; S166-R198 PolarHBondContact OG-O 3.27Å; D168-R198 HydrophobicContact CB-CB 4.24Å; D168-R198 VanDerWaalsContact CG-NE 3.29Å; D168-R198 IonicContact OD1-CZ 3.69Å; D168-R198 IonicContact OD1-NE 2.79Å; D168-R198 PolarHBondContact OD1-NE 2.87Å; D168-R198 IonicContact OD1-NH2 3.7Å; D168-R198 PolarHBondContact OD1-NH2 2.98Å; D168-R198 WeakPolarHBondContact OD2-CB 3.47Å; D168-R198 IonicContact OD2-CZ 3.05Å; D168-R198 IonicContact OD2-NE 3.46Å; D168-R198 PolarHBondContact OD2-NE 3.27Å; D168-R198 IonicContact OD2-NH2 2.68Å; S194-R198 VanDerWaalsContact O-CG 3.27Å; S194-R198 WeakPolarHBondContact O-CG 3.44Å; S194-R198 PolarHBondContact O-N 2.84Å; V195-R198 PolarHBondContact O-N 2.89Å; C196-R198 PolarHBondContact O-N 3.07Å; R198-G202 PolarHBondContact O-N 2.86Å; R198-D235 IonicContact CZ-OD1 3.67Å; R198-D235 IonicContact CZ-OD2 3.98Å; R198-D235 IonicContact NH1-OD1 2.83Å; R198-D235 PolarHBondContact NH1-OD1 3.14Å; R198-D235 IonicContact NH1-OD2 3.86Å; R198-D235 PolarHBondContact NH1-OD2 3.46Å; R198-D235 IonicContact NH2-OD1 3.57Å; R198-D235 PolarHBondContact NH2-OD1 3.41Å; R198-D235 IonicContact NH2-OD2 3.25Å
199	A	95.3	Very high	92.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-49.7	173.4	0	0	0	0	0	111.7	D168 L169 F172 V195 C196 G202 C203 W214	D168-A199 HydrophobicContact CB-CB 4.45Å; L169-A199 HydrophobicContact CB-CB 4.46Å; L169-A199 HydrophobicContact CD1-CB 4.2Å; F172-A199 HydrophobicContact CB-CB 4.19Å; F172-A199 HydrophobicContact CD1-CB 3.97Å; F172-A199 HydrophobicContact CG-CB 4.26Å; V195-A199 WeakPolarHBondContact O-CB 3.34Å; V195-A199 PolarHBondContact O-N 3.44Å; C196-A199 PolarHBondContact O-N 2.97Å; A199-G202 PolarHBondContact O-N 3.31Å; A199-C203 WeakPolarHBondContact O-CB 3.33Å; A199-C203 PolarHBondContact O-N 3.12Å; A199-W214 HydrophobicContact CB-CH2 4.16Å
200	R	96.1	Very high	93.2	Very high	84 Å²	84	50.4 Å²	50.4	32%	0.317	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-42.2	179.9	-173.1	174.9	-168.8	-170.2	8.2	112.3	C196 E197 G202 C203 A204 W214	C196-R200 WeakPolarHBondContact O-CB 3.29Å; C196-R200 PolarHBondContact O-N 2.97Å; E197-R200 PolarHBondContact O-N 3.05Å; R200-G202 PolarHBondContact O-N 3.42Å; R200-C203 PolarHBondContact O-N 3.19Å; R200-A204 HydrophobicContact CG-CB 4.12Å; R200-A204 WeakPolarHBondContact O-CB 3.38Å; R200-A204 PolarHBondContact O-N 2.88Å; R200-W214 HydrophobicContact CB-CD2 4.06Å; R200-W214 HydrophobicContact CB-CE3 4.34Å; R200-W214 HydrophobicContact CB-CH2 4.13Å; R200-W214 HydrophobicContact CB-CZ2 3.83Å; R200-W214 HydrophobicContact CB-CZ3 4.39Å; R200-W214 HydrophobicContact CG-CB 4.47Å; R200-W214 HydrophobicContact CG-CD2 3.66Å; R200-W214 HydrophobicContact CG-CE3 4.16Å; R200-W214 HydrophobicContact CG-CG 3.81Å; R200-W214 HydrophobicContact CG-CZ2 4.34Å
201	A	95.4	Very high	93.3	Very high	73 Å²	73	52.4 Å²	52.4	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-62.6	-40.7	-179.4	0	0	0	0	0	112.9	E197 P205	E197-A201 WeakPolarHBondContact O-CB 3.29Å; E197-A201 PolarHBondContact O-N 3.25Å; A201-P205 WeakPolarHBondContact O-CD 3.12Å; A201-P205 WeakPolarHBondContact O-CG 3.37Å
202	G	92.3	Very high	93.4	Very high	31 Å²	31	58.9 Å²	58.9	32%	0.32	31%	0.305	S	S	.	.	H	α-helix	trans	-76.9	-39.5	177.2	0	0	0	0	0	113.7	C165 R198 A199 R200	C165-G202 CarbonylContact O-C 3.58Å; C165-G202 VanDerWaalsContact O-CA 3.22Å; C165-G202 WeakPolarHBondContact O-CA 3.4Å; R198-G202 PolarHBondContact O-N 2.86Å; A199-G202 PolarHBondContact O-N 3.31Å; R200-G202 PolarHBondContact O-N 3.42Å
203	C	95.8	Very high	93.4	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-99.7	-30.7	-167.8	-62.4	0	0	0	0	115.4	C165 S166 A199 R200 P205 L206 M207 W214	C165-C203 HydrophobicContact CB-CB 4Å; C165-C203 WeakPolarHBondContact CB-SG 3.39Å; C165-C203 VanDerWaalsContact SG-CA 3.58Å; C165-C203 WeakPolarHBondContact SG-CB 3.4Å; C165-C203 CovalentContact SG-SG 2.04Å; C165-C203 PolarHBondContact SG-SG 3.22Å; S166-C203 PolarHBondContact N-SG 3.12Å; S166-C203 VanDerWaalsContact N-SG 3.44Å; A199-C203 WeakPolarHBondContact O-CB 3.33Å; A199-C203 PolarHBondContact O-N 3.12Å; R200-C203 PolarHBondContact O-N 3.19Å; C203-P205 VanDerWaalsContact C-CD 3.46Å; C203-L206 WeakPolarHBondContact O-CB 3.28Å; C203-L206 PolarHBondContact O-N 3.04Å; C203-L206 VanDerWaalsContact O-N 3.14Å; C203-M207 WeakPolarHBondContact O-CG 3.38Å; C203-M207 PolarHBondContact O-N 3.28Å; C203-W214 HydrophobicContact CB-CZ3 4.05Å
204	A	94.3	Very high	93.4	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-32.3	179.2	0	0	0	0	0	114.6	R200 L206 R208 W214	R200-A204 HydrophobicContact CG-CB 4.12Å; R200-A204 WeakPolarHBondContact O-CB 3.38Å; R200-A204 PolarHBondContact O-N 2.88Å; A204-L206 VanDerWaalsContact C-N 3.34Å; A204-R208 WeakPolarHBondContact O-CG 3.18Å; A204-R208 PolarHBondContact O-N 3.29Å; A204-R208 VanDerWaalsContact O-N 3.16Å; A204-W214 HydrophobicContact CB-CB 4.22Å; A204-W214 HydrophobicContact CB-CE3 4.07Å
205	P	94.2	Very high	93.4	Very high	80 Å²	80	61.6 Å²	61.6	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-40.4	171.4	-23.3	34.9	0	0	0	112.6	A201 C203 R208 Q209	A201-P205 WeakPolarHBondContact O-CD 3.12Å; A201-P205 WeakPolarHBondContact O-CG 3.37Å; C203-P205 VanDerWaalsContact C-CD 3.46Å; P205-R208 PolarHBondContact O-N 3.35Å; P205-Q209 PolarHBondContact O-N 3.35Å
206	L	91.3	Very high	93.4	Very high	35 Å²	35	66.3 Å²	66.3	18%	0.183	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-42.8	178.3	-179	63.2	0	0	0	111.5	L160 I163 C165 C203 A204 R208 Q209 Y210	L160-L206 HydrophobicContact CD2-CD2 3.78Å; L160-L206 HydrophobicContact CD2-CG 4.22Å; I163-L206 HydrophobicContact CD1-CD2 4.32Å; I163-L206 HydrophobicContact CG2-CD2 3.79Å; C165-L206 HydrophobicContact CB-CD2 4.01Å; C203-L206 WeakPolarHBondContact O-CB 3.28Å; C203-L206 PolarHBondContact O-N 3.04Å; C203-L206 VanDerWaalsContact O-N 3.14Å; A204-L206 VanDerWaalsContact C-N 3.34Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.04Å; L206-Q209 WeakPolarHBondContact O-CB 3.39Å; L206-Q209 PolarHBondContact O-N 3.03Å; L206-Y210 HydrophobicContact CD1-CD2 4.35Å; L206-Y210 HydrophobicContact CD1-CE2 3.92Å; L206-Y210 WeakPolarHBondContact O-CD2 3.39Å
207	M	93.2	Very high	93.2	Very high	20 Å²	20	68.3 Å²	68.3	10%	0.099	36%	0.362	C	S	.	.	H	α-helix	trans	-56.7	-45.5	175.1	-68.4	-175.9	72.1	0	0	111.5	L160 C203 Q209 Y210 G211 F212 D213 W214 P215	L160-M207 HydrophobicContact CD1-CE 4.43Å; L160-M207 HydrophobicContact CD1-CG 3.76Å; L160-M207 HydrophobicContact CD1-SD 3.86Å; L160-M207 HydrophobicContact CD2-CG 4.19Å; C203-M207 WeakPolarHBondContact O-CG 3.38Å; C203-M207 PolarHBondContact O-N 3.28Å; M207-Q209 VanDerWaalsContact C-N 3.32Å; M207-Q209 PolarHBondContact O-N 3.37Å; M207-Y210 CarbonylContact O-C 3.6Å; M207-Y210 PolarHBondContact O-N 2.97Å; M207-G211 PolarHBondContact O-N 3.34Å; M207-F212 CarbonylContact C-O 3.56Å; M207-F212 HydrophobicContact CB-CB 4.14Å; M207-F212 VanDerWaalsContact CB-O 3.3Å; M207-F212 WeakPolarHBondContact CB-O 3.36Å; M207-F212 HydrophobicContact CE-CB 4.07Å; M207-F212 PolarHBondContact O-N 3.38Å; M207-D213 WeakPolarHBondContact CE-O 3.34Å; M207-W214 HydrophobicContact SD-CE3 3.88Å; M207-W214 HydrophobicContact SD-CZ3 4.29Å; M207-P215 HydrophobicContact CE-CG 4.25Å
208	R	94	Very high	93	Very high	125 Å²	125	63.7 Å²	63.7	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-31.2	-179.8	-72.2	-179	-173	117.9	2.7	113.6	A204 P205 L206 Y210 G211 F212 D213	A204-R208 WeakPolarHBondContact O-CG 3.18Å; A204-R208 PolarHBondContact O-N 3.29Å; A204-R208 VanDerWaalsContact O-N 3.16Å; P205-R208 PolarHBondContact O-N 3.35Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.04Å; R208-Y210 PolarHBondContact O-N 2.97Å; R208-G211 PolarHBondContact O-N 2.87Å; R208-F212 VanDerWaalsContact CA-O 3.28Å; R208-F212 WeakPolarHBondContact CA-O 3.41Å; R208-F212 WeakPolarHBondContact CG-O 3.49Å; R208-F212 PolarHBondContact N-O 3.39Å; R208-D213 IonicContact CZ-OD1 3.22Å; R208-D213 VanDerWaalsContact CZ-OD1 3.22Å; R208-D213 IonicContact NE-OD1 2.76Å; R208-D213 PolarHBondContact NE-OD1 2.85Å; R208-D213 IonicContact NH2-OD1 2.83Å; R208-D213 PolarHBondContact NH2-OD1 2.99Å
209	Q	88.9	Confident	93	Very high	146 Å²	146	61.9 Å²	61.9	68%	0.682	34%	0.337	S	S	*	.	H	α-helix	trans	-59.6	-26.8	173	-173.8	177.9	-13.5	0	0	112.3	P205 L206 M207	P205-Q209 PolarHBondContact O-N 3.35Å; L206-Q209 WeakPolarHBondContact O-CB 3.39Å; L206-Q209 PolarHBondContact O-N 3.03Å; M207-Q209 VanDerWaalsContact C-N 3.32Å; M207-Q209 PolarHBondContact O-N 3.37Å
210	Y	89.8	Confident	92.9	Very high	163 Å²	163	62 Å²	62	64%	0.639	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	12.8	175.4	-68.5	-80.6	0	0	0	113.8	L206 M207 R208 F212	L206-Y210 HydrophobicContact CD1-CD2 4.35Å; L206-Y210 HydrophobicContact CD1-CE2 3.92Å; L206-Y210 WeakPolarHBondContact O-CD2 3.39Å; M207-Y210 CarbonylContact O-C 3.6Å; M207-Y210 PolarHBondContact O-N 2.97Å; R208-Y210 PolarHBondContact O-N 2.97Å; Y210-F212 WeakPolarHBondContact O-CD2 3.39Å; Y210-F212 WeakPolarHBondContact O-CE2 3.39Å
211	G	90.6	Very high	92.8	Very high	71 Å²	71	63 Å²	63	73%	0.732	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	12.5	176.3	0	0	0	0	0	115.9	M207 R208	M207-G211 PolarHBondContact O-N 3.34Å; R208-G211 PolarHBondContact O-N 2.87Å
212	F	92.1	Very high	92.6	Very high	136 Å²	136	67.5 Å²	67.5	60%	0.596	35%	0.351	S	S	*	.			trans	-107.5	135.4	177.7	-59.8	-85	0	0	0	111.5	M207 R208 Y210	M207-F212 CarbonylContact C-O 3.56Å; M207-F212 HydrophobicContact CB-CB 4.14Å; M207-F212 VanDerWaalsContact CB-O 3.3Å; M207-F212 WeakPolarHBondContact CB-O 3.36Å; M207-F212 HydrophobicContact CE-CB 4.07Å; M207-F212 PolarHBondContact O-N 3.38Å; R208-F212 VanDerWaalsContact CA-O 3.28Å; R208-F212 WeakPolarHBondContact CA-O 3.41Å; R208-F212 WeakPolarHBondContact CG-O 3.49Å; R208-F212 PolarHBondContact N-O 3.39Å; Y210-F212 WeakPolarHBondContact O-CD2 3.39Å; Y210-F212 WeakPolarHBondContact O-CE2 3.39Å
213	D	93	Very high	92.5	Very high	109 Å²	109	66.5 Å²	66.5	58%	0.583	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-91.7	166	170.1	-109.5	-59.3	0	0	0	112.1	M207 R208	M207-D213 WeakPolarHBondContact CE-O 3.34Å; R208-D213 IonicContact CZ-OD1 3.22Å; R208-D213 VanDerWaalsContact CZ-OD1 3.22Å; R208-D213 IonicContact NE-OD1 2.76Å; R208-D213 PolarHBondContact NE-OD1 2.85Å; R208-D213 IonicContact NH2-OD1 2.83Å; R208-D213 PolarHBondContact NH2-OD1 2.99Å
214	W	93.6	Very high	92.2	Very high	17 Å²	17	67.1 Å²	67.1	6%	0.064	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.4	125.2	177.9	-174	-96.4	0	0	0	110.8	L169 F172 A199 R200 C203 A204 M207 L218	L169-W214 HydrophobicContact CD1-CH2 4.08Å; L169-W214 HydrophobicContact CD1-CZ3 4.45Å; F172-W214 HydrophobicContact CD1-CZ2 4.36Å; F172-W214 HydrophobicContact CE1-CH2 4.33Å; F172-W214 AromaticContact CE1-CZ2 3.77Å; F172-W214 HydrophobicContact CE1-CZ2 3.77Å; A199-W214 HydrophobicContact CB-CH2 4.16Å; R200-W214 HydrophobicContact CB-CD2 4.06Å; R200-W214 HydrophobicContact CB-CE3 4.34Å; R200-W214 HydrophobicContact CB-CH2 4.13Å; R200-W214 HydrophobicContact CB-CZ2 3.83Å; R200-W214 HydrophobicContact CB-CZ3 4.39Å; R200-W214 HydrophobicContact CG-CB 4.47Å; R200-W214 HydrophobicContact CG-CD2 3.66Å; R200-W214 HydrophobicContact CG-CE3 4.16Å; R200-W214 HydrophobicContact CG-CG 3.81Å; R200-W214 HydrophobicContact CG-CZ2 4.34Å; C203-W214 HydrophobicContact CB-CZ3 4.05Å; A204-W214 HydrophobicContact CB-CB 4.22Å; A204-W214 HydrophobicContact CB-CE3 4.07Å; M207-W214 HydrophobicContact SD-CE3 3.88Å; M207-W214 HydrophobicContact SD-CZ3 4.29Å; W214-L218 HydrophobicContact CZ2-CB 4.32Å; W214-L218 PolarHBondContact NE1-O 3.49Å
215	P	93.2	Very high	91.9	Very high	22 Å²	22	70 Å²	70	14%	0.143	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-62.8	139.4	-168.6	-27.7	37.2	0	0	0	114.6	F157 M207 N217 L218	F157-P215 HydrophobicContact CE1-CG 4.02Å; F157-P215 HydrophobicContact CZ-CG 4.03Å; M207-P215 HydrophobicContact CE-CG 4.25Å; P215-N217 VanDerWaalsContact C-N 3.25Å; P215-N217 WeakPolarHBondContact CB-OD1 3.5Å; P215-N217 PolarHBondContact O-N 3.14Å; P215-L218 HydrophobicContact CB-CB 4.5Å; P215-L218 HydrophobicContact CB-CD1 4.38Å; P215-L218 HydrophobicContact CB-CG 4.4Å; P215-L218 HydrophobicContact CG-CD1 4.29Å; P215-L218 CarbonylContact O-C 2.95Å; P215-L218 PolarHBondContact O-N 2.96Å
216	P	91.6	Very high	91.3	Very high	99 Å²	99	72.2 Å²	72.2	64%	0.643	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.9	-176.5	30.8	-36.4	0	0	0	114.1	R222	P216-R222 PolarHBondContact O-NH1 3.47Å; P216-R222 PolarHBondContact O-NH2 3.5Å
217	N	90.7	Very high	90.3	Very high	42 Å²	42	73.8 Å²	73.8	23%	0.225	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.6	167.1	58.6	-23.9	0	0	0	112.7	F142 E153 P215	F142-N217 HydrophobicContact CD1-CB 4.32Å; F142-N217 HydrophobicContact CE1-CB 3.87Å; F142-N217 HydrophobicContact CZ-CB 4.5Å; E153-N217 PolarHBondContact OE1-ND2 3.28Å; P215-N217 VanDerWaalsContact C-N 3.25Å; P215-N217 WeakPolarHBondContact CB-OD1 3.5Å; P215-N217 PolarHBondContact O-N 3.14Å
218	L	92.9	Very high	89.5	Confident	1 Å²	1	77 Å²	77	1%	0.005	40%	0.401	C	S	.	.	S	Bend	trans	-106.5	25.2	177.5	-60.8	179.1	0	0	0	112.5	F142 F157 F172 L173 M176 Y177 C196 W214 P215 C220	F142-L218 HydrophobicContact CZ-CD2 4.06Å; F157-L218 HydrophobicContact CE1-CD1 3.82Å; F157-L218 HydrophobicContact CZ-CD1 3.79Å; F172-L218 HydrophobicContact CE1-CB 4.09Å; F172-L218 HydrophobicContact CE1-CD1 4.39Å; F172-L218 HydrophobicContact CE1-CD2 4.05Å; F172-L218 HydrophobicContact CE1-CG 4.41Å; F172-L218 HydrophobicContact CZ-CB 4.17Å; F172-L218 HydrophobicContact CZ-CD2 4.06Å; L173-L218 HydrophobicContact CD2-CD1 3.78Å; M176-L218 HydrophobicContact CB-CD2 4.27Å; M176-L218 HydrophobicContact CE-CD2 4.43Å; M176-L218 HydrophobicContact CG-CD2 4.23Å; Y177-L218 HydrophobicContact CE2-CD2 4.39Å; C196-L218 PolarHBondContact SG-O 3.44Å; C196-L218 VanDerWaalsContact SG-O 3.41Å; W214-L218 HydrophobicContact CZ2-CB 4.32Å; W214-L218 PolarHBondContact NE1-O 3.49Å; P215-L218 HydrophobicContact CB-CB 4.5Å; P215-L218 HydrophobicContact CB-CD1 4.38Å; P215-L218 HydrophobicContact CB-CG 4.4Å; P215-L218 HydrophobicContact CG-CD1 4.29Å; P215-L218 CarbonylContact O-C 2.95Å; P215-L218 PolarHBondContact O-N 2.96Å; L218-C220 PolarHBondContact O-N 2.83Å
219	D	94	Very high	88	Confident	42 Å²	42	77.2 Å²	77.2	23%	0.225	42%	0.418	C	S	.	.			trans	-70	115.8	-177.4	176.3	28.8	0	0	0	112.5	D221 R222	D219-D221 PolarHBondContact O-N 2.81Å; D219-R222 HydrophobicContact CB-CG 4.34Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 2.99Å; D219-R222 IonicContact OD2-CZ 3.17Å; D219-R222 IonicContact OD2-NE 3.54Å; D219-R222 PolarHBondContact OD2-NE 2.94Å; D219-R222 IonicContact OD2-NH2 2.73Å
220	C	94.6	Very high	87.2	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.014	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-65.2	-23.4	-172.1	-51.6	0	0	0	0	113.7	C196 E197 L218 R222 L223	C196-C220 HydrophobicContact CB-CB 3.7Å; C196-C220 WeakPolarHBondContact CB-SG 3.37Å; C196-C220 PolarHBondContact O-SG 3.48Å; C196-C220 WeakPolarHBondContact SG-CA 3.32Å; C196-C220 WeakPolarHBondContact SG-CB 3.37Å; C196-C220 CovalentContact SG-SG 2.04Å; C196-C220 PolarHBondContact SG-SG 3.12Å; E197-C220 HydrophobicContact CG-CB 4.23Å; L218-C220 PolarHBondContact O-N 2.83Å; C220-R222 PolarHBondContact O-N 3.33Å; C220-R222 VanDerWaalsContact O-N 3.14Å; C220-L223 WeakPolarHBondContact O-CB 3.35Å; C220-L223 PolarHBondContact O-N 2.98Å; C220-L223 VanDerWaalsContact O-N 3.09Å
221	D	93.3	Very high	86.4	Confident	105 Å²	105	73.7 Å²	73.7	56%	0.561	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-67.2	-11.9	178.8	-85.7	-60.8	0	0	0	113.8	R193 D219	R193-D221 IonicContact CZ-OD1 3.71Å; R193-D221 IonicContact NH1-OD1 2.69Å; R193-D221 PolarHBondContact NH1-OD1 3.37Å; R193-D221 VanDerWaalsContact NH2-C 3.34Å; R193-D221 PolarHBondContact NH2-O 3.37Å; D219-D221 PolarHBondContact O-N 2.81Å
222	R	90.5	Very high	86	Confident	168 Å²	168	75.5 Å²	75.5	63%	0.634	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-86.4	-7.1	175.2	-54.1	-179.7	-170.1	-172.6	3.4	113.5	P216 D219 C220	P216-R222 PolarHBondContact O-NH1 3.47Å; P216-R222 PolarHBondContact O-NH2 3.5Å; D219-R222 HydrophobicContact CB-CG 4.34Å; D219-R222 WeakPolarHBondContact O-CB 3.47Å; D219-R222 PolarHBondContact O-N 2.99Å; D219-R222 IonicContact OD2-CZ 3.17Å; D219-R222 IonicContact OD2-NE 3.54Å; D219-R222 PolarHBondContact OD2-NE 2.94Å; D219-R222 IonicContact OD2-NH2 2.73Å; C220-R222 PolarHBondContact O-N 3.33Å; C220-R222 VanDerWaalsContact O-N 3.14Å
223	L	91.3	Very high	85.8	Confident	10 Å²	10	70 Å²	70	5%	0.052	38%	0.382	C	S	.	.	S	Bend	trans	-97.5	146.3	-173.7	-62.9	170.9	0	0	0	112.5	F172 M176 P190 R193 C196 C220	F172-L223 HydrophobicContact CE2-CD1 3.85Å; M176-L223 HydrophobicContact CE-CD2 4.25Å; M176-L223 HydrophobicContact SD-CD2 4.06Å; P190-L223 HydrophobicContact CB-CD2 4.19Å; R193-L223 HydrophobicContact CB-CB 4.12Å; R193-L223 PolarHBondContact NE-O 3.45Å; R193-L223 VanDerWaalsContact NE-O 3.16Å; R193-L223 PolarHBondContact NH2-O 3.08Å; C196-L223 HydrophobicContact CB-CD1 3.35Å; C220-L223 WeakPolarHBondContact O-CB 3.35Å; C220-L223 PolarHBondContact O-N 2.98Å; C220-L223 VanDerWaalsContact O-N 3.09Å
224	P	90.1	Very high	85.5	Confident	13 Å²	13	66 Å²	66	8%	0.084	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-62.8	152	175.3	27.1	-36.9	0	0	0	112.4	P190 R193 Q231 C233	P190-P224 HydrophobicContact CG-CG 3.69Å; R193-P224 WeakPolarHBondContact CB-O 3.46Å; R193-P224 PolarHBondContact N-O 3.25Å; P224-Q231 HydrophobicContact CB-CB 4.05Å; P224-C233 HydrophobicContact CB-CB 4.27Å; P224-C233 HydrophobicContact CG-CB 3.54Å
225	V	87.3	Confident	84.9	Confident	64 Å²	64	66.6 Å²	66.6	39%	0.388	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-95.5	136.3	172	-174.9	0	0	0	0	108.9	G227 Q228	V225-G227 PolarHBondContact O-N 3.41Å; V225-Q228 HydrophobicContact CB-CG 4.34Å; V225-Q228 WeakPolarHBondContact O-CG 3.5Å; V225-Q228 PolarHBondContact O-N 3.15Å
226	F	80.3	Confident	83.5	Confident	126 Å²	126	68.5 Å²	68.5	55%	0.553	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	134.3	179.1	-175.6	-96	0	0	0	111.5
227	G	71.2	Confident	81.7	Confident	69 Å²	69	68.2 Å²	68.2	71%	0.711	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	6.9	179.4	0	0	0	0	0	116.1	V225	V225-G227 PolarHBondContact O-N 3.41Å
228	Q	76.5	Confident	79.6	Confident	88 Å²	88	70.7 Å²	70.7	41%	0.411	39%	0.386	S	S	.	.			trans	-72.6	135.2	170.4	-71.9	-177.2	-7.2	0	0	111.3	V225 D230 Q231	V225-Q228 HydrophobicContact CB-CG 4.34Å; V225-Q228 WeakPolarHBondContact O-CG 3.5Å; V225-Q228 PolarHBondContact O-N 3.15Å; Q228-D230 VanDerWaalsContact C-N 3.33Å; Q228-D230 PolarHBondContact O-N 3.31Å; Q228-D230 VanDerWaalsContact O-N 3.17Å; Q228-Q231 PolarHBondContact O-N 3.34Å
229	P	61.6	Low	76.9	Confident	129 Å²	129	77.5 Å²	77.5	84%	0.838	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.2	-169.5	-29.3	36.3	0	0	0	116.6
230	D	72.7	Confident	74.3	Confident	129 Å²	129	84.7 Å²	84.7	69%	0.69	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-6.2	-171.4	-65	-72.8	0	0	0	114.8	K187 Q228	K187-D230 PolarHBondContact NZ-O 3.02Å; Q228-D230 VanDerWaalsContact C-N 3.33Å; Q228-D230 PolarHBondContact O-N 3.31Å; Q228-D230 VanDerWaalsContact O-N 3.17Å
231	Q	74.1	Confident	71.5	Confident	106 Å²	106	95 Å²	95	50%	0.495	50%	0.498	S	S	.	.			trans	-130.8	102.6	-170.7	-61.8	-169.7	10.8	0	0	111.6	P224 Q228	P224-Q231 HydrophobicContact CB-CB 4.05Å; Q228-Q231 PolarHBondContact O-N 3.34Å
232	L	80.8	Confident	68.7	Low	109 Å²	109	96.3 Å²	96.3	57%	0.571	51%	0.51	S	S	*	.			trans	-77	149.4	170.2	-61.1	179.4	0	0	0	110.8	Y185 L189	Y185-L232 HydrophobicContact CE2-CD1 4.22Å; L189-L232 HydrophobicContact CD1-CB 3.57Å; L189-L232 WeakPolarHBondContact CD1-O 3.37Å
233	C	88.5	Confident	65.8	Low	19 Å²	19	92.3 Å²	92.3	13%	0.128	52%	0.521	C	S	.	.			trans	-152.4	160.7	175.8	66.3	0	0	0	0	111.1	P190 C192 P224	P190-C233 CarbonylContact O-C 3.5Å; P190-C233 VanDerWaalsContact O-CA 3.32Å; P190-C233 WeakPolarHBondContact O-CA 3.18Å; C192-C233 WeakPolarHBondContact CA-SG 3.44Å; C192-C233 HydrophobicContact CB-CB 3.93Å; C192-C233 WeakPolarHBondContact CB-SG 3.19Å; C192-C233 WeakPolarHBondContact SG-CB 3.35Å; C192-C233 PolarHBondContact SG-O 2.66Å; C192-C233 CovalentContact SG-SG 2.04Å; C192-C233 PolarHBondContact SG-SG 3.38Å; P224-C233 HydrophobicContact CB-CB 4.27Å; P224-C233 HydrophobicContact CG-CB 3.54Å
234	M	86.6	Confident	62.9	Low	27 Å²	27	95.2 Å²	95.2	13%	0.133	55%	0.553	C	S	.	*	B	Isolated β-bridge	trans	-99.4	130.8	-178.8	-53.9	-179.2	-69	0	0	112.2	Y133 F171 I180 L189 P190 A191 C192 V195	Y133-M234 HydrophobicContact CE1-CE 4.25Å; Y133-M234 HydrophobicContact CE1-SD 4.4Å; F171-M234 HydrophobicContact CE1-CB 4.3Å; F171-M234 HydrophobicContact CZ-CB 3.83Å; F171-M234 HydrophobicContact CZ-CE 4.31Å; F171-M234 HydrophobicContact CZ-SD 4.44Å; I180-M234 HydrophobicContact CB-SD 4.4Å; I180-M234 HydrophobicContact CD1-SD 4.31Å; I180-M234 HydrophobicContact CG2-CE 3.96Å; I180-M234 HydrophobicContact CG2-SD 3.82Å; L189-M234 HydrophobicContact CD2-CG 3.84Å; L189-M234 HydrophobicContact CD2-SD 4.09Å; L189-M234 HydrophobicContact CG-CG 3.89Å; L189-M234 HydrophobicContact CG-SD 4.35Å; L189-M234 WeakPolarHBondContact O-CE 3.16Å; P190-M234 PolarHBondContact O-N 3.36Å; A191-M234 CarbonylContact C-O 3.4Å; A191-M234 WeakPolarHBondContact CA-O 3.35Å; C192-M234 PolarHBondContact N-O 3.24Å; C192-M234 VanDerWaalsContact SG-C 3.55Å; V195-M234 WeakPolarHBondContact CG2-O 3.25Å
235	D	81.3	Confident	60.2	Low	28 Å²	28	100.6 Å²	100.6	15%	0.15	59%	0.591	C	S	.	*			trans	-128.3	123.6	164.1	-166.3	-29.5	0	0	0	107.8	C192 S194 V195 R198 N237 Q238	C192-D235 HydrophobicContact CB-CB 4.45Å; S194-D235 PolarHBondContact OG-OD2 3.05Å; V195-D235 HydrophobicContact CG2-CB 4.01Å; R198-D235 IonicContact CZ-OD1 3.67Å; R198-D235 IonicContact CZ-OD2 3.98Å; R198-D235 IonicContact NH1-OD1 2.83Å; R198-D235 PolarHBondContact NH1-OD1 3.14Å; R198-D235 IonicContact NH1-OD2 3.86Å; R198-D235 PolarHBondContact NH1-OD2 3.46Å; R198-D235 IonicContact NH2-OD1 3.57Å; R198-D235 PolarHBondContact NH2-OD1 3.41Å; R198-D235 IonicContact NH2-OD2 3.25Å; D235-N237 PolarHBondContact O-N 3.44Å; D235-Q238 PolarHBondContact OD2-NE2 3.37Å
236	A	63.4	Low	57.7	Low	63 Å²	63	103.4 Å²	103.4	52%	0.521	61%	0.609	S	S	.	*	S	Bend	trans	-79.4	1	-167.2	0	0	0	0	0	114.6	F171	F171-A236 HydrophobicContact CD1-CB 4.04Å; F171-A236 HydrophobicContact CD2-CB 4.26Å; F171-A236 HydrophobicContact CE1-CB 4.05Å; F171-A236 HydrophobicContact CE2-CB 4.26Å; F171-A236 HydrophobicContact CG-CB 4.15Å; F171-A236 HydrophobicContact CZ-CB 4.17Å
237	N	53.6	Low	55.8	Low	93 Å²	93	105 Å²	105	50%	0.497	62%	0.621	S	S	.	*	S	Bend	trans	-140	38.2	-154	-155.3	-5.9	0	0	0	114.9	D235	D235-N237 PolarHBondContact O-N 3.44Å
238	Q	46.4	Very low	54	Low	94 Å²	94	112 Å²	112	44%	0.439	63%	0.626	S	S	.	*	S	Bend	trans	-124.6	-17	-179.9	-61.3	-165.7	28.4	0	0	115.7	D235 E240	D235-Q238 PolarHBondContact OD2-NE2 3.37Å; Q238-E240 PolarHBondContact O-N 2.93Å
239	T	37.2	Very low	51.9	Low	143 Å²	143	113.6 Å²	113.6	88%	0.877	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-15.1	-171.2	11.3	0	0	0	0	116
240	E	38.9	Very low	50.7	Low	194 Å²	194	114.3 Å²	114.3	91%	0.907	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	5.5	-175.9	-64.1	-167.3	149.6	0	0	114.9	Q238	Q238-E240 PolarHBondContact O-N 2.93Å
241	R	36.6	Very low	49	Very low	217 Å²	217	113.8 Å²	113.8	82%	0.819	65%	0.653	S	S	*	*	S	Bend	trans	-123.8	2	-173.6	-72.5	-171.2	174.7	-170.5	-1	116.7	G243	R241-G243 VanDerWaalsContact C-N 3.34Å; R241-G243 PolarHBondContact O-N 2.72Å
242	V	33.1	Very low	47.3	Very low	134 Å²	134	114.9 Å²	114.9	81%	0.812	67%	0.672	S	S	*	*			trans	-99	55	178.2	-165.8	0	0	0	0	111.1
243	G	29.9	Very low	45.2	Very low	83 Å²	83	114.5 Å²	114.5	86%	0.856	68%	0.679	S	S	*	*			trans	-98.7	69.6	177.2	0	0	0	0	0	112.6	R241	R241-G243 VanDerWaalsContact C-N 3.34Å; R241-G243 PolarHBondContact O-N 2.72Å
244	G	30.6	Very low	42.8	Very low	72 Å²	72	125.3 Å²	125.3	74%	0.742	72%	0.717	S	S	*	*			trans	99.6	101.5	168.9	0	0	0	0	0	116.6
245	S	34.4	Very low	40.4	Very low	126 Å²	126	135.2 Å²	135.2	88%	0.881	75%	0.752	S	S	*	*				-165	137.8	112.6	-165.1	0	0	0	0	109.9
246	T	33.5	Very low	38.8	Very low	122 Å²	122	139 Å²	139	75%	0.748	78%	0.778	S	S	*	*			trans	-116.2	150.4	-175.9	-32	0	0	0	0	109.2
247	I	40.4	Very low	37.7	Very low	159 Å²	159	141.9 Å²	141.9	82%	0.815	79%	0.792	S	S	*	*			trans	72.9	134.4	170.4	-53.3	169.2	0	0	0	113.1
248	R	33.5	Very low	37	Very low	218 Å²	218	145.7 Å²	145.7	82%	0.823	81%	0.811	S	S	*	*			cis	-170	146.3	-15.1	176.1	-178.8	-170.2	-143.5	6.8	107.4
249	P	32.5	Very low	36.6	Very low	120 Å²	120	145 Å²	145	78%	0.779	83%	0.829	S	S	*	*			trans	-87	137.1	-174	32.8	-34.8	0	0	0	114.1
250	T	37.7	Very low	36.5	Very low	144 Å²	144	141.9 Å²	141.9	88%	0.883	83%	0.825	S	S	*	*			trans	-149.9	141.2	160.4	36	0	0	0	0	111.1
251	S	35.7	Very low	36.5	Very low	119 Å²	119	140.4 Å²	140.4	83%	0.832	82%	0.824	S	S	*	*			trans	-95.7	146.6	-175.6	54.3	0	0	0	0	114
252	S	39.6	Very low	36.5	Very low	129 Å²	129	138.1 Å²	138.1	90%	0.902	83%	0.826	S	S	*	*			trans	-162.1	152.2	137	-160.6	0	0	0	0	113.2
253	S	35.6	Very low	36.7	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	83%	0.827	S	S	*	*			trans	-88.1	144.1	-177.2	171	0	0	0	0	113.3
254	R	39.1	Very low	37.1	Very low	246 Å²	246	140.5 Å²	140.5	93%	0.928	82%	0.824	S	S	*	*			trans	-171	160.4	132.5	-99.6	156.2	-150.4	-121.8	4.5	113
255	R	36.3	Very low	37.2	Very low	234 Å²	234	142.6 Å²	142.6	88%	0.883	84%	0.835	S	S	*	*			trans	-155.3	167.2	-177	-126.3	-165.9	-177	-158.7	3.1	108.3
256	P	47	Very low	37.2	Very low	107 Å²	107	139.1 Å²	139.1	70%	0.695	82%	0.819	S	S	*	*			cis	-101.7	-101.8	-19.3	22.2	1.1	0	0	0	109.3
257	P	39.8	Very low	37.3	Very low	125 Å²	125	145.7 Å²	145.7	81%	0.812	83%	0.83	S	S	*	*			cis	-103.4	-151.9	-1.7	39.3	-28	0	0	0	114.1
258	I	39.8	Very low	37	Very low	173 Å²	173	141 Å²	141	89%	0.887	82%	0.82	S	S	*	*			trans	-105.6	142.4	-172.5	-66.8	157.6	0	0	0	111.2
259	G	37.8	Very low	37.5	Very low	80 Å²	80	135.8 Å²	135.8	83%	0.825	82%	0.817	S	S	*	*			trans	153.1	132	160.7	0	0	0	0	0	114.6
260	G	35.7	Very low	38.1	Very low	77 Å²	77	139 Å²	139	79%	0.794	82%	0.822	S	S	*	*			trans	120.2	84.6	172.1	0	0	0	0	0	115.9
261	D	37.6	Very low	39	Very low	163 Å²	163	140.5 Å²	140.5	87%	0.872	81%	0.811	S	S	*	*			trans	32.2	148.5	152.7	-59.4	-39.9	0	0	0	124.7
262	L	37.8	Very low	40.4	Very low	168 Å²	168	136.6 Å²	136.6	88%	0.88	79%	0.79	S	S	*	*			trans	-71.3	125.7	174.3	-82	61.1	0	0	0	111.7
263	S	37.3	Very low	42.3	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	77%	0.765	S	S	*	*			trans	-153.1	123.4	148.3	-78.3	0	0	0	0	111
264	D	37.6	Very low	44.6	Very low	151 Å²	151	131.8 Å²	131.8	81%	0.807	75%	0.753	S	S	*	*			trans	52.1	84.5	164.7	-151.3	-6.9	0	0	0	119.5	G266	D264-G266 PolarHBondContact O-N 3.32Å; D264-G266 VanDerWaalsContact O-N 3.12Å; D264-G266 WeakPolarHBondContact OD1-CA 3.3Å; D264-G266 PolarHBondContact OD1-N 2.93Å
265	A	33.1	Very low	46.8	Very low	116 Å²	116	122.9 Å²	122.9	96%	0.959	73%	0.727	S	S	*	*			trans	-82.2	60.1	163.3	0	0	0	0	0	111.8
266	G	34.6	Very low	49.3	Very low	53 Å²	53	116.4 Å²	116.4	55%	0.546	71%	0.707	S	S	.	*			trans	-109.2	41.8	-167.4	0	0	0	0	0	116.8	D264 G268	D264-G266 PolarHBondContact O-N 3.32Å; D264-G266 VanDerWaalsContact O-N 3.12Å; D264-G266 WeakPolarHBondContact OD1-CA 3.3Å; D264-G266 PolarHBondContact OD1-N 2.93Å; G266-G268 PolarHBondContact O-N 2.81Å
267	R	35.1	Very low	51.3	Low	259 Å²	259	112.6 Å²	112.6	98%	0.977	68%	0.683	S	S	*	*			trans	-75.9	53.2	-175.8	-156.7	-179.2	-172.5	-178.3	2.9	114.4
268	G	34.1	Very low	53.5	Low	60 Å²	60	111.4 Å²	111.4	62%	0.619	66%	0.662	S	S	*	*			trans	-76.1	148.5	171.7	0	0	0	0	0	112.8	G266 H270	G266-G268 PolarHBondContact O-N 2.81Å; G268-H270 PolarHBondContact O-N 3.44Å
269	S	44.8	Very low	55.3	Low	109 Å²	109	107 Å²	107	76%	0.762	65%	0.651	S	S	*	*			trans	-79.3	102.8	169.7	179	0	0	0	0	109.3	R271	S269-R271 PolarHBondContact O-N 3.25Å; S269-R271 VanDerWaalsContact O-N 3.13Å
270	H	43.3	Very low	57.4	Low	187 Å²	187	105.8 Å²	105.8	87%	0.866	63%	0.629	S	S	*	*			trans	-66.1	107.4	171.2	-102.1	-81.5	0	0	0	109.9	G268 G272	G268-H270 PolarHBondContact O-N 3.44Å; H270-G272 PolarHBondContact O-N 2.9Å
271	R	57.4	Low	59.9	Low	176 Å²	176	102.7 Å²	102.7	66%	0.664	59%	0.593	S	S	*	*			trans	-81	39.7	-179.6	-63.1	-176.3	173	-174.8	-3	113.3	S269 S573	S269-R271 PolarHBondContact O-N 3.25Å; S269-R271 VanDerWaalsContact O-N 3.13Å; R271-S573 WeakPolarHBondContact CB-OG 3.01Å
272	G	65.6	Low	62.2	Low	37 Å²	37	96.7 Å²	96.7	38%	0.381	56%	0.563	S	S	.	*			trans	-56.3	150.3	-177	0	0	0	0	0	112.9	H270 V274	H270-G272 PolarHBondContact O-N 2.9Å; G272-V274 PolarHBondContact O-N 2.73Å
273	C	77.9	Confident	64.5	Low	58 Å²	58	92.3 Å²	92.3	39%	0.392	55%	0.546	S	S	.	.			trans	-64	122.6	175.8	-174.6	0	0	0	0	110.8	C575	C273-C575 WeakPolarHBondContact CA-SG 3.07Å; C273-C575 HydrophobicContact CB-CB 3.96Å; C273-C575 WeakPolarHBondContact CB-SG 3.48Å; C273-C575 WeakPolarHBondContact SG-CA 3.4Å; C273-C575 WeakPolarHBondContact SG-CB 3.45Å; C273-C575 CovalentContact SG-SG 2.03Å; C273-C575 PolarHBondContact SG-SG 3.41Å
274	V	83.9	Confident	66.5	Low	72 Å²	72	88 Å²	88	44%	0.436	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.6	179.9	-179.6	0	0	0	0	109.5	G272 C570 H571	G272-V274 PolarHBondContact O-N 2.73Å; V274-C570 WeakPolarHBondContact O-CA 3.32Å; V274-H571 PolarHBondContact N-O 3.26Å; V274-H571 PolarHBondContact O-N 3.16Å; V274-H571 PolarHBondContact O-ND1 2.9Å
275	C	86.8	Confident	67.6	Low	58 Å²	58	86 Å²	86	39%	0.392	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.2	174.8	-56.1	0	0	0	0	110.7	V299 T569 C570	C275-V299 HydrophobicContact CB-CG2 3.8Å; C275-T569 CarbonylContact C-O 3.55Å; C275-T569 VanDerWaalsContact CA-O 3.31Å; C275-T569 WeakPolarHBondContact CA-O 3.49Å; C275-C570 HydrophobicContact CB-CB 4.1Å; C275-C570 WeakPolarHBondContact CB-SG 3.37Å; C275-C570 WeakPolarHBondContact SG-CB 3.34Å; C275-C570 CovalentContact SG-SG 2.04Å; C275-C570 PolarHBondContact SG-SG 3.32Å
276	Q	88.7	Confident	68.8	Low	98 Å²	98	81.8 Å²	81.8	46%	0.458	49%	0.486	S	S	.	.			trans	-148.1	159.5	177.5	66.4	-177	28.3	0	0	110.8	R278 T569	Q276-R278 PolarHBondContact O-N 3.06Å; Q276-T569 PolarHBondContact N-O 3.24Å; Q276-T569 WeakPolarHBondContact O-CA 3.32Å; Q276-T569 WeakPolarHBondContact O-CB 3.37Å; Q276-T569 VanDerWaalsContact O-O 3.11Å
277	C	88.7	Confident	69.6	Low	28 Å²	28	87.1 Å²	87.1	19%	0.189	50%	0.502	C	S	.	.			trans	-71.4	115	176.2	-162.4	0	0	0	0	108.5	V282 S283 V299 C302	C277-V282 VanDerWaalsContact SG-C 3.6Å; C277-S283 WeakPolarHBondContact CB-OG 3.46Å; C277-V299 HydrophobicContact CB-CG1 4.28Å; C277-C302 VanDerWaalsContact CA-SG 3.55Å; C277-C302 HydrophobicContact CB-CB 3.66Å; C277-C302 WeakPolarHBondContact CB-SG 3.38Å; C277-C302 VanDerWaalsContact SG-CA 3.51Å; C277-C302 WeakPolarHBondContact SG-CB 3.29Å; C277-C302 CovalentContact SG-SG 2.04Å; C277-C302 PolarHBondContact SG-SG 3.45Å
278	R	85.1	Confident	70.6	Confident	100 Å²	100	78.1 Å²	78.1	38%	0.377	47%	0.473	S	S	.	.			trans	-123.4	142.2	-173.9	-174.4	176.7	176.1	141.5	-2.2	109.6	Q276 F281	Q276-R278 PolarHBondContact O-N 3.06Å; R278-F281 WeakPolarHBondContact O-CB 3.46Å; R278-F281 PolarHBondContact O-N 2.91Å
279	A	79.1	Confident	71.5	Confident	79 Å²	79	80.5 Å²	80.5	65%	0.653	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	135.6	172	0	0	0	0	0	110.6
280	P	80.9	Confident	71.8	Confident	55 Å²	55	77.8 Å²	77.8	36%	0.357	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	cis	-90.5	7.9	15.9	24	-13.4	0	0	0	115.9	P305 L309	P280-P305 WeakPolarHBondContact O-CD 3.35Å; P280-P305 VanDerWaalsContact O-CG 3.25Å; P280-P305 WeakPolarHBondContact O-CG 3.45Å; P280-L309 HydrophobicContact CB-CD2 3.86Å; P280-L309 HydrophobicContact CG-CB 4.22Å; P280-L309 HydrophobicContact CG-CD2 3.66Å; P280-L309 WeakPolarHBondContact CG-O 3.47Å
281	F	88	Confident	72.4	Confident	12 Å²	12	70.7 Å²	70.7	5%	0.053	43%	0.427	C	S	.	.	S	Bend	trans	-70.3	157	168.7	-62.4	-72.4	0	0	0	112.3	R278 V296 T303 Y304 L309 E565 I568 T569	R278-F281 WeakPolarHBondContact O-CB 3.46Å; R278-F281 PolarHBondContact O-N 2.91Å; F281-V296 HydrophobicContact CD1-CB 4.45Å; F281-V296 HydrophobicContact CD1-CG1 3.64Å; F281-V296 HydrophobicContact CD1-CG2 4.19Å; F281-V296 HydrophobicContact CD2-CG1 3.95Å; F281-V296 HydrophobicContact CE1-CB 4.42Å; F281-V296 HydrophobicContact CE1-CG1 3.34Å; F281-V296 HydrophobicContact CE1-CG2 4.22Å; F281-V296 HydrophobicContact CE2-CG1 3.67Å; F281-V296 HydrophobicContact CG-CG1 3.95Å; F281-V296 HydrophobicContact CZ-CG1 3.36Å; F281-T303 WeakPolarHBondContact CA-O 3.01Å; F281-T303 WeakPolarHBondContact CB-O 3.19Å; F281-Y304 HydrophobicContact CE1-CD1 4.33Å; F281-Y304 HydrophobicContact CE1-CD2 4.29Å; F281-Y304 HydrophobicContact CE1-CE1 4.29Å; F281-Y304 HydrophobicContact CE1-CE2 4.25Å; F281-Y304 HydrophobicContact CE1-CG 4.32Å; F281-L309 HydrophobicContact CD1-CD1 4.13Å; F281-L309 HydrophobicContact CD1-CD2 3.63Å; F281-L309 HydrophobicContact CD1-CG 4.5Å; F281-L309 HydrophobicContact CD2-CD2 4.38Å; F281-L309 HydrophobicContact CE1-CD1 3.38Å; F281-L309 HydrophobicContact CE1-CD2 3.7Å; F281-L309 HydrophobicContact CE1-CG 4.19Å; F281-L309 HydrophobicContact CE2-CD2 4.43Å; F281-L309 HydrophobicContact CG-CD2 3.99Å; F281-L309 HydrophobicContact CZ-CD1 3.74Å; F281-L309 HydrophobicContact CZ-CD2 4.1Å; F281-E565 HydrophobicContact CZ-CG 4.25Å; F281-I568 HydrophobicContact CD2-CB 4.38Å; F281-I568 HydrophobicContact CD2-CG2 3.72Å; F281-I568 HydrophobicContact CE2-CB 3.89Å; F281-I568 HydrophobicContact CE2-CD1 4.11Å; F281-I568 HydrophobicContact CE2-CG2 3.73Å; F281-T569 HydrophobicContact CD2-CG2 4.08Å; F281-T569 HydrophobicContact CE2-CG2 4.19Å
282	V	87.2	Confident	72.1	Confident	38 Å²	38	66.3 Å²	66.3	23%	0.23	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.9	-176.2	-177.7	0	0	0	0	110.2	C277 T303 P305	C277-V282 VanDerWaalsContact SG-C 3.6Å; V282-T303 HydrophobicContact CB-CG2 4.24Å; V282-T303 PolarHBondContact N-O 2.76Å; V282-T303 PolarHBondContact O-N 2.88Å; V282-P305 HydrophobicContact CG2-CB 4.09Å
283	S	86.1	Confident	72	Confident	76 Å²	76	73.1 Å²	73.1	53%	0.531	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.3	172.6	-53.5	0	0	0	0	110.9	C277 A285 Q301	C277-S283 WeakPolarHBondContact CB-OG 3.46Å; S283-A285 PolarHBondContact O-N 3.25Å; S283-Q301 WeakPolarHBondContact CA-O 3.26Å
284	L	78.1	Confident	71.9	Confident	25 Å²	25	71.6 Å²	71.6	13%	0.131	42%	0.422	C	S	.	.			trans	-95.2	86.6	-175.9	-70.5	171.2	0	0	0	111.1	G286 L291 A294 Q301 T303	L284-G286 VanDerWaalsContact C-N 3.32Å; L284-G286 PolarHBondContact O-N 3.45Å; L284-L291 HydrophobicContact CB-CD1 4.48Å; L284-L291 HydrophobicContact CB-CD2 3.95Å; L284-L291 HydrophobicContact CB-CG 3.93Å; L284-L291 HydrophobicContact CD1-CD1 3.8Å; L284-L291 HydrophobicContact CD1-CG 3.91Å; L284-L291 HydrophobicContact CD2-CD1 4Å; L284-L291 HydrophobicContact CD2-CD2 4.42Å; L284-L291 HydrophobicContact CD2-CG 4.35Å; L284-L291 HydrophobicContact CG-CD1 4.31Å; L284-L291 HydrophobicContact CG-CG 4.28Å; L284-A294 HydrophobicContact CD1-CB 3.53Å; L284-Q301 HydrophobicContact CB-CB 4.44Å; L284-Q301 PolarHBondContact N-O 2.98Å; L284-T303 HydrophobicContact CD1-CG2 3.75Å; L284-T303 HydrophobicContact CD2-CG2 3.75Å; L284-T303 HydrophobicContact CG-CG2 3.79Å
285	A	61.3	Low	71.8	Confident	111 Å²	111	71.4 Å²	71.4	92%	0.917	42%	0.424	S	S	*	.			trans	-77.5	73.9	178.6	0	0	0	0	0	112.1	S283	S283-A285 PolarHBondContact O-N 3.25Å
286	G	58.4	Low	71.8	Confident	26 Å²	26	68.8 Å²	68.8	27%	0.268	41%	0.406	S	S	.	.			trans	-156.1	144.7	178.8	0	0	0	0	0	114.1	L284 D288	L284-G286 VanDerWaalsContact C-N 3.32Å; L284-G286 PolarHBondContact O-N 3.45Å; G286-D288 PolarHBondContact O-N 2.79Å
287	N	52	Low	71.3	Confident	165 Å²	165	64.1 Å²	64.1	88%	0.882	38%	0.384	S	S	*	.			trans	-81.8	13.2	178.6	-81.4	-12.1	0	0	0	114.1	P289	N287-P289 WeakPolarHBondContact O-CD 3.36Å
288	D	55.7	Low	70.8	Confident	71 Å²	71	69.5 Å²	69.5	38%	0.38	41%	0.412	S	S	.	.			trans	-70.7	123.5	-178.3	-177.8	-34.8	0	0	0	110.7	G286 S290 L291 N292	G286-D288 PolarHBondContact O-N 2.79Å; D288-S290 VanDerWaalsContact CG-OG 3.26Å; D288-S290 PolarHBondContact O-N 2.7Å; D288-S290 WeakPolarHBondContact OD1-CA 3.4Å; D288-S290 VanDerWaalsContact OD1-CB 3.27Å; D288-S290 WeakPolarHBondContact OD1-CB 3.35Å; D288-S290 PolarHBondContact OD1-N 2.94Å; D288-S290 PolarHBondContact OD1-OG 3.32Å; D288-S290 PolarHBondContact OD2-OG 3.44Å; D288-L291 HydrophobicContact CB-CB 3.87Å; D288-L291 HydrophobicContact CB-CD2 4.44Å; D288-L291 WeakPolarHBondContact O-CB 3.12Å; D288-L291 PolarHBondContact O-N 2.87Å; D288-L291 VanDerWaalsContact O-N 3.07Å; D288-N292 PolarHBondContact O-N 2.93Å
289	P	52.5	Low	70.8	Confident	110 Å²	110	65.6 Å²	65.6	71%	0.714	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.2	-179.9	-25	35.3	0	0	0	115.2	N287	N287-P289 WeakPolarHBondContact O-CD 3.36Å
290	S	51.7	Low	71	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-38.1	174.9	72.5	0	0	0	0	111.6	D288 N292 R293	D288-S290 VanDerWaalsContact CG-OG 3.26Å; D288-S290 PolarHBondContact O-N 2.7Å; D288-S290 WeakPolarHBondContact OD1-CA 3.4Å; D288-S290 VanDerWaalsContact OD1-CB 3.27Å; D288-S290 WeakPolarHBondContact OD1-CB 3.35Å; D288-S290 PolarHBondContact OD1-N 2.94Å; D288-S290 PolarHBondContact OD1-OG 3.32Å; D288-S290 PolarHBondContact OD2-OG 3.44Å; S290-N292 VanDerWaalsContact C-N 3.31Å; S290-N292 PolarHBondContact O-N 3.25Å; S290-R293 VanDerWaalsContact O-CB 3.27Å; S290-R293 WeakPolarHBondContact O-CB 3.39Å; S290-R293 PolarHBondContact O-N 3.24Å; S290-R293 VanDerWaalsContact O-N 3.11Å
291	L	54.7	Low	71.2	Confident	39 Å²	39	67 Å²	67	20%	0.204	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-68.9	-30.1	-177.3	-153.2	67.2	0	0	0	112	L284 D288 R293 A294	L284-L291 HydrophobicContact CB-CD1 4.48Å; L284-L291 HydrophobicContact CB-CD2 3.95Å; L284-L291 HydrophobicContact CB-CG 3.93Å; L284-L291 HydrophobicContact CD1-CD1 3.8Å; L284-L291 HydrophobicContact CD1-CG 3.91Å; L284-L291 HydrophobicContact CD2-CD1 4Å; L284-L291 HydrophobicContact CD2-CD2 4.42Å; L284-L291 HydrophobicContact CD2-CG 4.35Å; L284-L291 HydrophobicContact CG-CD1 4.31Å; L284-L291 HydrophobicContact CG-CG 4.28Å; D288-L291 HydrophobicContact CB-CB 3.87Å; D288-L291 HydrophobicContact CB-CD2 4.44Å; D288-L291 WeakPolarHBondContact O-CB 3.12Å; D288-L291 PolarHBondContact O-N 2.87Å; D288-L291 VanDerWaalsContact O-N 3.07Å; L291-R293 PolarHBondContact O-N 3.38Å; L291-R293 VanDerWaalsContact O-N 3.1Å; L291-A294 WeakPolarHBondContact O-CB 3.27Å; L291-A294 PolarHBondContact O-N 2.81Å
292	N	52	Low	71.1	Confident	83 Å²	83	66.4 Å²	66.4	44%	0.444	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-62.2	-11.6	171.7	-71.8	-37.2	0	0	0	114.4	D288 S290 Q301	D288-N292 PolarHBondContact O-N 2.93Å; S290-N292 VanDerWaalsContact C-N 3.31Å; S290-N292 PolarHBondContact O-N 3.25Å; N292-Q301 PolarHBondContact OD1-NE2 3.12Å
293	R	64.1	Low	71.2	Confident	181 Å²	181	64.9 Å²	64.9	68%	0.683	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-82.2	-21	173.2	-165.7	179.5	-62.8	160.2	4.5	113	S290 L291 S295 L462	S290-R293 VanDerWaalsContact O-CB 3.27Å; S290-R293 WeakPolarHBondContact O-CB 3.39Å; S290-R293 PolarHBondContact O-N 3.24Å; S290-R293 VanDerWaalsContact O-N 3.11Å; L291-R293 PolarHBondContact O-N 3.38Å; L291-R293 VanDerWaalsContact O-N 3.1Å; R293-S295 PolarHBondContact O-N 3.48Å; R293-L462 PolarHBondContact NH1-O 3.25Å
294	A	75.3	Confident	71.3	Confident	25 Å²	25	62.7 Å²	62.7	21%	0.207	36%	0.364	C	S	.	.			trans	-68.6	121.4	179.9	0	0	0	0	0	110.3	L284 L291 Q301 C302	L284-A294 HydrophobicContact CD1-CB 3.53Å; L291-A294 WeakPolarHBondContact O-CB 3.27Å; L291-A294 PolarHBondContact O-N 2.81Å; A294-Q301 PolarHBondContact O-N 2.82Å; A294-C302 CarbonylContact C-O 3.43Å
295	S	81.8	Confident	71.9	Confident	69 Å²	69	62.3 Å²	62.3	48%	0.483	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.1	173.2	62.5	0	0	0	0	111.3	R293 V299	R293-S295 PolarHBondContact O-N 3.48Å; S295-V299 CarbonylContact C-O 3.56Å; S295-V299 WeakPolarHBondContact CA-O 3.4Å; S295-V299 VanDerWaalsContact CB-O 3.29Å; S295-V299 WeakPolarHBondContact CB-O 3.45Å
296	V	85.6	Confident	73.2	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	126.8	-176.7	167.2	0	0	0	0	107.2	F281 N298 V299 C302 Y304 E565 T569	F281-V296 HydrophobicContact CD1-CB 4.45Å; F281-V296 HydrophobicContact CD1-CG1 3.64Å; F281-V296 HydrophobicContact CD1-CG2 4.19Å; F281-V296 HydrophobicContact CD2-CG1 3.95Å; F281-V296 HydrophobicContact CE1-CB 4.42Å; F281-V296 HydrophobicContact CE1-CG1 3.34Å; F281-V296 HydrophobicContact CE1-CG2 4.22Å; F281-V296 HydrophobicContact CE2-CG1 3.67Å; F281-V296 HydrophobicContact CG-CG1 3.95Å; F281-V296 HydrophobicContact CZ-CG1 3.36Å; V296-N298 PolarHBondContact O-N 3.36Å; V296-V299 PolarHBondContact N-O 3.43Å; V296-V299 WeakPolarHBondContact O-CB 3.44Å; V296-V299 PolarHBondContact O-N 3.49Å; V296-C302 HydrophobicContact CB-CB 4.19Å; V296-C302 WeakPolarHBondContact CG2-O 3.24Å; V296-Y304 HydrophobicContact CG2-CD2 4.08Å; V296-Y304 HydrophobicContact CG2-CE2 4Å; V296-E565 HydrophobicContact CG1-CB 3.98Å; V296-E565 HydrophobicContact CG1-CG 3.9Å; V296-T569 HydrophobicContact CG1-CG2 4.03Å
297	G	78.3	Confident	74.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	36.9	177.1	0	0	0	0	0	112.8	V299 E565 T569	G297-V299 PolarHBondContact O-N 2.68Å; G297-E565 PolarHBondContact N-OE2 3.26Å; G297-T569 PolarHBondContact O-OG1 3.41Å
298	N	78.5	Confident	75.3	Confident	142 Å²	142	55.2 Å²	55.2	76%	0.759	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	19.5	-172.4	-159.5	52.8	0	0	0	115.8	V296	V296-N298 PolarHBondContact O-N 3.36Å
299	V	84.8	Confident	75.5	Confident	18 Å²	18	53 Å²	53	11%	0.109	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.9	170.8	-176.9	0	0	0	0	109.9	C275 C277 S295 V296 G297 C302 T569	C275-V299 HydrophobicContact CB-CG2 3.8Å; C277-V299 HydrophobicContact CB-CG1 4.28Å; S295-V299 CarbonylContact C-O 3.56Å; S295-V299 WeakPolarHBondContact CA-O 3.4Å; S295-V299 VanDerWaalsContact CB-O 3.29Å; S295-V299 WeakPolarHBondContact CB-O 3.45Å; V296-V299 PolarHBondContact N-O 3.43Å; V296-V299 WeakPolarHBondContact O-CB 3.44Å; V296-V299 PolarHBondContact O-N 3.49Å; G297-V299 PolarHBondContact O-N 2.68Å; V299-C302 HydrophobicContact CB-CB 4.42Å; V299-C302 HydrophobicContact CG1-CB 4.24Å; V299-T569 HydrophobicContact CG2-CG2 4.34Å
300	S	84.5	Confident	75.8	Confident	82 Å²	82	51.2 Å²	51.2	57%	0.573	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	159.7	175.7	53.2	0	0	0	0	113	C302	S300-C302 PolarHBondContact O-N 3.02Å
301	Q	83.7	Confident	76.2	Confident	80 Å²	80	50.7 Å²	50.7	37%	0.374	26%	0.259	S	S	.	.	S	Bend	trans	55.9	35.8	-178.3	-60.9	179.8	-32.1	0	0	112.5	S283 L284 N292 A294	S283-Q301 WeakPolarHBondContact CA-O 3.26Å; L284-Q301 HydrophobicContact CB-CB 4.44Å; L284-Q301 PolarHBondContact N-O 2.98Å; N292-Q301 PolarHBondContact OD1-NE2 3.12Å; A294-Q301 PolarHBondContact O-N 2.82Å
302	C	87.3	Confident	76.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.2	-179.2	-165	0	0	0	0	109	C277 A294 V296 V299 S300	C277-C302 VanDerWaalsContact CA-SG 3.55Å; C277-C302 HydrophobicContact CB-CB 3.66Å; C277-C302 WeakPolarHBondContact CB-SG 3.38Å; C277-C302 VanDerWaalsContact SG-CA 3.51Å; C277-C302 WeakPolarHBondContact SG-CB 3.29Å; C277-C302 CovalentContact SG-SG 2.04Å; C277-C302 PolarHBondContact SG-SG 3.45Å; A294-C302 CarbonylContact C-O 3.43Å; V296-C302 HydrophobicContact CB-CB 4.19Å; V296-C302 WeakPolarHBondContact CG2-O 3.24Å; V299-C302 HydrophobicContact CB-CB 4.42Å; V299-C302 HydrophobicContact CG1-CB 4.24Å; S300-C302 PolarHBondContact O-N 3.02Å
303	T	88.7	Confident	77.4	Confident	6 Å²	6	51.3 Å²	51.3	4%	0.037	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.3	-179	-165.1	0	0	0	0	113.1	F281 V282 L284 A386	F281-T303 WeakPolarHBondContact CA-O 3.01Å; F281-T303 WeakPolarHBondContact CB-O 3.19Å; V282-T303 HydrophobicContact CB-CG2 4.24Å; V282-T303 PolarHBondContact N-O 2.76Å; V282-T303 PolarHBondContact O-N 2.88Å; L284-T303 HydrophobicContact CD1-CG2 3.75Å; L284-T303 HydrophobicContact CD2-CG2 3.75Å; L284-T303 HydrophobicContact CG-CG2 3.79Å; T303-A386 HydrophobicContact CG2-CB 3.84Å
304	Y	89	Confident	77.7	Confident	30 Å²	30	49.7 Å²	49.7	12%	0.118	27%	0.274	C	S	.	.			trans	-71.1	140.6	176.7	-73.5	-112.9	0	0	0	111.1	F281 V296 L309 I387 P469 T479 E565	F281-Y304 HydrophobicContact CE1-CD1 4.33Å; F281-Y304 HydrophobicContact CE1-CD2 4.29Å; F281-Y304 HydrophobicContact CE1-CE1 4.29Å; F281-Y304 HydrophobicContact CE1-CE2 4.25Å; F281-Y304 HydrophobicContact CE1-CG 4.32Å; V296-Y304 HydrophobicContact CG2-CD2 4.08Å; V296-Y304 HydrophobicContact CG2-CE2 4Å; Y304-L309 HydrophobicContact CD1-CD1 3.4Å; Y304-L309 HydrophobicContact CD1-CG 4.27Å; Y304-L309 HydrophobicContact CE1-CD1 3.47Å; Y304-L309 VanDerWaalsContact CE1-CD1 3.47Å; Y304-L309 HydrophobicContact CG-CD1 4.32Å; Y304-I387 PolarHBondContact O-N 3.25Å; Y304-I387 VanDerWaalsContact O-N 3.07Å; Y304-P469 HydrophobicContact CD1-CG 4.12Å; Y304-T479 HydrophobicContact CD2-CG2 4.04Å; Y304-T479 HydrophobicContact CE2-CG2 4.42Å; Y304-E565 PolarHBondContact OH-OE1 3.28Å; Y304-E565 VanDerWaalsContact OH-OE1 3.09Å
305	P	89.3	Confident	78	Confident	17 Å²	17	51 Å²	51	11%	0.11	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-67.1	152.8	170.2	31.9	-37.1	0	0	0	110.6	P280 V282 R307 L309 N385 I387 P469	P280-P305 WeakPolarHBondContact O-CD 3.35Å; P280-P305 VanDerWaalsContact O-CG 3.25Å; P280-P305 WeakPolarHBondContact O-CG 3.45Å; V282-P305 HydrophobicContact CG2-CB 4.09Å; P305-R307 WeakPolarHBondContact CG-O 3.4Å; P305-R307 PolarHBondContact O-N 3.09Å; P305-R307 VanDerWaalsContact O-N 3.12Å; P305-L309 HydrophobicContact CG-CD2 3.66Å; P305-L309 HydrophobicContact CG-CG 3.86Å; P305-N385 CarbonylContact C-O 3.36Å; P305-N385 WeakPolarHBondContact CA-O 3.46Å; P305-I387 WeakPolarHBondContact O-CG2 3.35Å; P305-P469 VanDerWaalsContact O-CB 3.3Å; P305-P469 WeakPolarHBondContact O-CB 3.46Å
306	C	88.3	Confident	77.9	Confident	12 Å²	12	49.5 Å²	49.5	8%	0.081	26%	0.263	C	S	.	.	S	Bend	trans	-44.8	-43.9	176.9	164.1	0	0	0	0	113.4	C382 N385 P469	C306-C382 WeakPolarHBondContact CA-SG 3.26Å; C306-C382 HydrophobicContact CB-CB 3.59Å; C306-C382 WeakPolarHBondContact CB-SG 3.36Å; C306-C382 PolarHBondContact O-SG 3.33Å; C306-C382 WeakPolarHBondContact SG-CB 3.39Å; C306-C382 CovalentContact SG-SG 2.02Å; C306-C382 PolarHBondContact SG-SG 3.03Å; C306-N385 PolarHBondContact N-O 3.47Å; C306-P469 WeakPolarHBondContact O-CA 3.25Å
307	R	84	Confident	77.9	Confident	129 Å²	129	55.9 Å²	55.9	49%	0.487	29%	0.292	S	S	.	.	S	Bend	trans	-118.3	140.6	-179.3	-55.9	-178.2	-174.1	166.9	-2	110.2	P305 L309 D378	P305-R307 WeakPolarHBondContact CG-O 3.4Å; P305-R307 PolarHBondContact O-N 3.09Å; P305-R307 VanDerWaalsContact O-N 3.12Å; R307-L309 PolarHBondContact O-N 3.29Å; R307-D378 IonicContact CZ-OD1 3.55Å; R307-D378 VanDerWaalsContact CZ-OD1 3.25Å; R307-D378 IonicContact CZ-OD2 2.7Å; R307-D378 IonicContact NE-OD1 3.87Å; R307-D378 PolarHBondContact NE-OD1 3.37Å; R307-D378 IonicContact NH2-OD1 3.42Å; R307-D378 PolarHBondContact NH2-OD1 3.3Å; R307-D378 IonicContact NH2-OD2 2.61Å; R307-D378 PolarHBondContact NH2-OD2 3.08Å
308	G	70.7	Confident	78.5	Confident	12 Å²	12	60 Å²	60	12%	0.124	31%	0.31	C	S	.	.			trans	-48.8	124.4	-161.8	0	0	0	0	0	117.7	F310 M311 P469	G308-F310 PolarHBondContact O-N 2.98Å; G308-M311 WeakPolarHBondContact O-CB 3.38Å; G308-M311 PolarHBondContact O-N 3.14Å; G308-P469 WeakPolarHBondContact CA-O 3.22Å; G308-P469 PolarHBondContact N-O 3.41Å
309	L	61.2	Low	79	Confident	25 Å²	25	53.4 Å²	53.4	13%	0.131	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.8	-30.8	177.1	-69.1	158.1	0	0	0	117.4	P280 F281 Y304 P305 R307	P280-L309 HydrophobicContact CB-CD2 3.86Å; P280-L309 HydrophobicContact CG-CB 4.22Å; P280-L309 HydrophobicContact CG-CD2 3.66Å; P280-L309 WeakPolarHBondContact CG-O 3.47Å; F281-L309 HydrophobicContact CD1-CD1 4.13Å; F281-L309 HydrophobicContact CD1-CD2 3.63Å; F281-L309 HydrophobicContact CD1-CG 4.5Å; F281-L309 HydrophobicContact CD2-CD2 4.38Å; F281-L309 HydrophobicContact CE1-CD1 3.38Å; F281-L309 HydrophobicContact CE1-CD2 3.7Å; F281-L309 HydrophobicContact CE1-CG 4.19Å; F281-L309 HydrophobicContact CE2-CD2 4.43Å; F281-L309 HydrophobicContact CG-CD2 3.99Å; F281-L309 HydrophobicContact CZ-CD1 3.74Å; F281-L309 HydrophobicContact CZ-CD2 4.1Å; Y304-L309 HydrophobicContact CD1-CD1 3.4Å; Y304-L309 HydrophobicContact CD1-CG 4.27Å; Y304-L309 HydrophobicContact CE1-CD1 3.47Å; Y304-L309 VanDerWaalsContact CE1-CD1 3.47Å; Y304-L309 HydrophobicContact CG-CD1 4.32Å; P305-L309 HydrophobicContact CG-CD2 3.66Å; P305-L309 HydrophobicContact CG-CG 3.86Å; R307-L309 PolarHBondContact O-N 3.29Å
310	F	58.2	Low	79.3	Confident	73 Å²	73	54.3 Å²	54.3	32%	0.32	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	14.7	-169.3	-57.2	-84	0	0	0	112.8	G308 I568 K591 P592	G308-F310 PolarHBondContact O-N 2.98Å; F310-I568 HydrophobicContact CE1-CD1 3.7Å; F310-I568 HydrophobicContact CZ-CD1 3.53Å; F310-K591 HydrophobicContact CD1-CB 3.54Å; F310-K591 HydrophobicContact CE1-CB 3.66Å; F310-K591 HydrophobicContact CG-CB 4.22Å; F310-K591 HydrophobicContact CZ-CB 4.44Å; F310-P592 HydrophobicContact CD2-CG 3.36Å; F310-P592 HydrophobicContact CE2-CG 3.63Å; F310-P592 HydrophobicContact CG-CG 4.02Å; F310-P592 HydrophobicContact CZ-CG 4.44Å
311	M	59.6	Low	79.7	Confident	39 Å²	39	56.9 Å²	56.9	19%	0.192	28%	0.282	C	S	.	.			trans	-107.5	119.5	-166.9	-158.3	157.1	-66.5	0	0	111.6	G308 N315 H316 V319 I470 F594	G308-M311 WeakPolarHBondContact O-CB 3.38Å; G308-M311 PolarHBondContact O-N 3.14Å; M311-N315 HydrophobicContact CG-CB 3.47Å; M311-N315 VanDerWaalsContact CG-CB 3.47Å; M311-N315 HydrophobicContact SD-CB 4.33Å; M311-H316 HydrophobicContact CG-CB 4.14Å; M311-H316 VanDerWaalsContact SD-CA 3.59Å; M311-H316 HydrophobicContact SD-CB 3.99Å; M311-V319 HydrophobicContact CE-CG2 4.19Å; M311-V319 HydrophobicContact SD-CG2 4.18Å; M311-I470 HydrophobicContact CE-CB 4.5Å; M311-I470 HydrophobicContact CE-CG1 4.15Å; M311-I470 HydrophobicContact CE-CG2 4.02Å; M311-F594 HydrophobicContact CE-CD2 3.86Å; M311-F594 HydrophobicContact CE-CE2 3.73Å; M311-F594 HydrophobicContact SD-CE2 4.31Å
312	S	66.5	Low	80.2	Confident	47 Å²	47	56.1 Å²	56.1	33%	0.329	28%	0.275	S	S	.	.			trans	-62.9	157.8	163.2	63.1	0	0	0	0	110.1	E314 N315 H316	S312-E314 PolarHBondContact O-N 3.42Å; S312-N315 PolarHBondContact O-N 3.49Å; S312-N315 VanDerWaalsContact O-N 3.09Å; S312-N315 PolarHBondContact OG-N 3.13Å; S312-N315 PolarHBondContact OG-ND2 3.49Å; S312-H316 PolarHBondContact O-N 2.94Å; S312-H316 VanDerWaalsContact O-N 3.13Å
313	S	66.2	Low	80.5	Confident	89 Å²	89	56.2 Å²	56.2	62%	0.622	28%	0.276	S	S	*	.	H	α-helix	trans	-53.2	-43	174.3	44.7	0	0	0	0	111.8	N315 H316 H317	S313-N315 PolarHBondContact O-N 3.39Å; S313-H316 PolarHBondContact O-N 2.89Å; S313-H317 PolarHBondContact O-CD2 3.22Å; S313-H317 PolarHBondContact O-N 3.14Å; S313-H317 VanDerWaalsContact O-N 3.13Å
314	E	71.2	Confident	80.9	Confident	147 Å²	147	56.3 Å²	56.3	69%	0.687	28%	0.279	S	S	*	.	H	α-helix	trans	-54.4	-48.8	174.9	-56.3	171	125.2	0	0	112.1	S312 H316 H317 F318	S312-E314 PolarHBondContact O-N 3.42Å; E314-H316 VanDerWaalsContact C-N 3.33Å; E314-H316 PolarHBondContact O-N 2.88Å; E314-H317 PolarHBondContact O-N 2.75Å; E314-F318 PolarHBondContact O-N 2.91Å
315	N	80.2	Confident	81.3	Confident	52 Å²	52	58.2 Å²	58.2	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-65.8	-33	-179.7	-77.5	-11.2	0	0	0	112.4	M311 S312 S313 F318 V319 F594	M311-N315 HydrophobicContact CG-CB 3.47Å; M311-N315 VanDerWaalsContact CG-CB 3.47Å; M311-N315 HydrophobicContact SD-CB 4.33Å; S312-N315 PolarHBondContact O-N 3.49Å; S312-N315 VanDerWaalsContact O-N 3.09Å; S312-N315 PolarHBondContact OG-N 3.13Å; S312-N315 PolarHBondContact OG-ND2 3.49Å; S313-N315 PolarHBondContact O-N 3.39Å; N315-F318 PolarHBondContact O-N 3.18Å; N315-V319 WeakPolarHBondContact O-CG2 3.43Å; N315-V319 PolarHBondContact O-N 3.04Å; N315-F594 HydrophobicContact CB-CD2 4.37Å; N315-F594 HydrophobicContact CB-CE2 3.64Å; N315-F594 HydrophobicContact CB-CZ 3.76Å
316	H	80.5	Confident	81.6	Confident	37 Å²	37	60 Å²	60	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-39	176.4	-178.2	-95.3	0	0	0	112.5	M311 S312 S313 E314 T320 H377	M311-H316 HydrophobicContact CG-CB 4.14Å; M311-H316 VanDerWaalsContact SD-CA 3.59Å; M311-H316 HydrophobicContact SD-CB 3.99Å; S312-H316 PolarHBondContact O-N 2.94Å; S312-H316 VanDerWaalsContact O-N 3.13Å; S313-H316 PolarHBondContact O-N 2.89Å; E314-H316 VanDerWaalsContact C-N 3.33Å; E314-H316 PolarHBondContact O-N 2.88Å; H316-T320 VanDerWaalsContact O-CB 3.31Å; H316-T320 WeakPolarHBondContact O-CB 3.27Å; H316-T320 PolarHBondContact O-N 3.02Å; H316-T320 PolarHBondContact O-OG1 3.45Å; H316-H377 AromaticContact NE2-CD2 3.79Å; H316-H377 AromaticContact NE2-CE1 2.62Å; H316-H377 PolarHBondContact NE2-CE1 3.4Å; H316-H377 AromaticContact NE2-CG 3.25Å; H316-H377 AromaticContact NE2-ND1 2.54Å; H316-H377 PolarHBondContact NE2-ND1 2.86Å; H316-H377 AromaticContact NE2-NE2 3.1Å; H316-H377 PolarHBondContact NE2-NE2 3.07Å
317	H	85.6	Confident	82.1	Confident	136 Å²	136	59.4 Å²	59.4	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-63.9	-43.6	170.7	-72	-66.3	0	0	0	111.3	S313 E314 T320 F321	S313-H317 PolarHBondContact O-CD2 3.22Å; S313-H317 PolarHBondContact O-N 3.14Å; S313-H317 VanDerWaalsContact O-N 3.13Å; E314-H317 PolarHBondContact O-N 2.75Å; H317-T320 PolarHBondContact O-N 2.88Å; H317-F321 WeakPolarHBondContact O-CB 3.42Å; H317-F321 PolarHBondContact O-N 3.3Å
318	F	90.1	Very high	82.7	Confident	88 Å²	88	56.3 Å²	56.3	39%	0.386	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-50.9	175.5	179.6	-88.2	0	0	0	112.3	E314 N315 T320 F321 W322 F594 V598	E314-F318 PolarHBondContact O-N 2.91Å; N315-F318 PolarHBondContact O-N 3.18Å; F318-T320 VanDerWaalsContact C-N 3.28Å; F318-T320 PolarHBondContact O-N 3.45Å; F318-F321 PolarHBondContact O-N 3.46Å; F318-W322 HydrophobicContact CD1-CB 4.46Å; F318-W322 HydrophobicContact CE1-CB 4.16Å; F318-W322 HydrophobicContact CE1-CD2 4.36Å; F318-W322 HydrophobicContact CE1-CE3 4.39Å; F318-W322 HydrophobicContact CE1-CG 4.29Å; F318-W322 HydrophobicContact CZ-CD2 4.28Å; F318-W322 AromaticContact CZ-CE3 3.85Å; F318-W322 HydrophobicContact CZ-CE3 3.85Å; F318-W322 HydrophobicContact CZ-CZ3 4.46Å; F318-W322 VanDerWaalsContact O-CB 3.23Å; F318-W322 WeakPolarHBondContact O-CB 3.45Å; F318-W322 PolarHBondContact O-N 2.77Å; F318-F594 HydrophobicContact CD1-CE1 4.06Å; F318-F594 AromaticContact CD1-CZ 3.8Å; F318-F594 HydrophobicContact CD1-CZ 3.8Å; F318-F594 HydrophobicContact CE1-CE1 4.41Å; F318-F594 HydrophobicContact CE1-CZ 4.5Å; F318-V598 HydrophobicContact CD1-CG2 4.47Å; F318-V598 HydrophobicContact CE1-CG1 4.07Å; F318-V598 HydrophobicContact CE1-CG2 4.15Å
319	V	89.4	Confident	84	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-41.1	178.6	169.4	0	0	0	0	111.1	M311 N315 W322 I323 I470 F594 V598	M311-V319 HydrophobicContact CE-CG2 4.19Å; M311-V319 HydrophobicContact SD-CG2 4.18Å; N315-V319 WeakPolarHBondContact O-CG2 3.43Å; N315-V319 PolarHBondContact O-N 3.04Å; V319-W322 PolarHBondContact O-N 2.78Å; V319-I323 HydrophobicContact CG1-CD1 3.63Å; V319-I323 HydrophobicContact CG1-CG1 4.25Å; V319-I323 WeakPolarHBondContact O-CB 3.31Å; V319-I323 WeakPolarHBondContact O-CG1 3.43Å; V319-I323 PolarHBondContact O-N 2.98Å; V319-I470 HydrophobicContact CG1-CG2 4.03Å; V319-I470 WeakPolarHBondContact CG1-O 3.32Å; V319-F594 HydrophobicContact CG2-CE2 3.42Å; V319-F594 VanDerWaalsContact CG2-CE2 3.42Å; V319-F594 HydrophobicContact CG2-CZ 3.71Å; V319-V598 HydrophobicContact CG2-CG2 4.07Å
320	T	90.9	Very high	85.7	Confident	38 Å²	38	58 Å²	58	23%	0.233	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-44	179	-66.3	0	0	0	0	112.2	H316 H317 F318 G324 R372	H316-T320 VanDerWaalsContact O-CB 3.31Å; H316-T320 WeakPolarHBondContact O-CB 3.27Å; H316-T320 PolarHBondContact O-N 3.02Å; H316-T320 PolarHBondContact O-OG1 3.45Å; H317-T320 PolarHBondContact O-N 2.88Å; F318-T320 VanDerWaalsContact C-N 3.28Å; F318-T320 PolarHBondContact O-N 3.45Å; T320-G324 PolarHBondContact O-N 2.88Å; T320-G324 VanDerWaalsContact O-N 3.16Å; T320-R372 PolarHBondContact OG1-NH1 3.41Å; T320-R372 PolarHBondContact OG1-NH2 3.44Å
321	F	93.2	Very high	87.6	Confident	135 Å²	135	57.5 Å²	57.5	59%	0.592	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-47.6	172.7	170.8	-100.9	0	0	0	112.1	H317 F318 G324 L325	H317-F321 WeakPolarHBondContact O-CB 3.42Å; H317-F321 PolarHBondContact O-N 3.3Å; F318-F321 PolarHBondContact O-N 3.46Å; F321-G324 PolarHBondContact O-N 2.89Å; F321-L325 HydrophobicContact CE1-CD2 4.32Å; F321-L325 HydrophobicContact CZ-CD2 4.27Å; F321-L325 WeakPolarHBondContact O-CB 3.49Å; F321-L325 PolarHBondContact O-N 3.27Å
322	W	94.4	Very high	89.3	Confident	64 Å²	64	60.4 Å²	60.4	24%	0.242	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-51.3	-175.6	-178.9	-95.9	0	0	0	112.6	F318 V319 G324 L325 W326 V598 F602	F318-W322 HydrophobicContact CD1-CB 4.46Å; F318-W322 HydrophobicContact CE1-CB 4.16Å; F318-W322 HydrophobicContact CE1-CD2 4.36Å; F318-W322 HydrophobicContact CE1-CE3 4.39Å; F318-W322 HydrophobicContact CE1-CG 4.29Å; F318-W322 HydrophobicContact CZ-CD2 4.28Å; F318-W322 AromaticContact CZ-CE3 3.85Å; F318-W322 HydrophobicContact CZ-CE3 3.85Å; F318-W322 HydrophobicContact CZ-CZ3 4.46Å; F318-W322 VanDerWaalsContact O-CB 3.23Å; F318-W322 WeakPolarHBondContact O-CB 3.45Å; F318-W322 PolarHBondContact O-N 2.77Å; V319-W322 PolarHBondContact O-N 2.78Å; W322-G324 VanDerWaalsContact C-N 3.28Å; W322-G324 PolarHBondContact O-N 3.47Å; W322-L325 PolarHBondContact O-N 3.32Å; W322-W326 AromaticContact CD1-CD1 3.98Å; W322-W326 AromaticContact CD2-CD1 3.91Å; W322-W326 AromaticContact CD2-NE1 3.64Å; W322-W326 AromaticContact CE2-CD1 3.62Å; W322-W326 AromaticContact CE2-NE1 3.26Å; W322-W326 VanDerWaalsContact CE2-NE1 3.26Å; W322-W326 AromaticContact CE3-NE1 3.94Å; W322-W326 HydrophobicContact CH2-CZ2 4.39Å; W322-W326 AromaticContact CH2-NE1 3.58Å; W322-W326 AromaticContact CZ2-NE1 3.24Å; W322-W326 AromaticContact CZ3-NE1 3.92Å; W322-W326 AromaticContact NE1-CD1 3.68Å; W322-W326 AromaticContact NE1-NE1 3.79Å; W322-W326 PolarHBondContact O-N 2.91Å; W322-V598 HydrophobicContact CD2-CG1 4.15Å; W322-V598 HydrophobicContact CG-CG1 4.13Å; W322-V598 HydrophobicContact CZ2-CG1 4.32Å; W322-V598 PolarHBondContact NE1-O 3.42Å; W322-F602 HydrophobicContact CZ2-CB 4.26Å; W322-F602 HydrophobicContact CZ2-CG 4.24Å
323	I	94.1	Very high	90.7	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-40	176.1	-65.6	177.9	0	0	0	110	V319 A327 Y369 Y601	V319-I323 HydrophobicContact CG1-CD1 3.63Å; V319-I323 HydrophobicContact CG1-CG1 4.25Å; V319-I323 WeakPolarHBondContact O-CB 3.31Å; V319-I323 WeakPolarHBondContact O-CG1 3.43Å; V319-I323 PolarHBondContact O-N 2.98Å; I323-A327 WeakPolarHBondContact O-CB 3.38Å; I323-A327 PolarHBondContact O-N 3.24Å; I323-Y369 HydrophobicContact CG2-CD1 3.46Å; I323-Y369 VanDerWaalsContact CG2-CD1 3.46Å; I323-Y369 HydrophobicContact CG2-CE1 3.97Å; I323-Y369 HydrophobicContact CG2-CG 4.18Å; I323-Y601 HydrophobicContact CD1-CD1 4.2Å; I323-Y601 HydrophobicContact CD1-CD2 3.78Å; I323-Y601 HydrophobicContact CD1-CE2 4.39Å; I323-Y601 HydrophobicContact CD1-CG 3.71Å; I323-Y601 HydrophobicContact CG1-CD2 4.35Å; I323-Y601 HydrophobicContact CG1-CG 4.15Å
324	G	95.9	Very high	92.1	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-46.4	179.4	0	0	0	0	0	113.7	T320 F321 W322 A327 V328	T320-G324 PolarHBondContact O-N 2.88Å; T320-G324 VanDerWaalsContact O-N 3.16Å; F321-G324 PolarHBondContact O-N 2.89Å; W322-G324 VanDerWaalsContact C-N 3.28Å; W322-G324 PolarHBondContact O-N 3.47Å; G324-A327 PolarHBondContact O-N 3.47Å; G324-V328 WeakPolarHBondContact O-CG2 3.27Å; G324-V328 PolarHBondContact O-N 3.21Å
325	L	97	Very high	93.2	Very high	70 Å²	70	49.7 Å²	49.7	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-56.6	-52.3	176.5	176.1	61.8	0	0	0	111.4	F321 W322 A327 V328 L329	F321-L325 HydrophobicContact CE1-CD2 4.32Å; F321-L325 HydrophobicContact CZ-CD2 4.27Å; F321-L325 WeakPolarHBondContact O-CB 3.49Å; F321-L325 PolarHBondContact O-N 3.27Å; W322-L325 PolarHBondContact O-N 3.32Å; L325-A327 VanDerWaalsContact C-N 3.34Å; L325-A327 PolarHBondContact O-N 3.4Å; L325-V328 PolarHBondContact O-N 3.12Å; L325-L329 HydrophobicContact CD1-CD1 4.04Å; L325-L329 HydrophobicContact CD1-CG 4.43Å; L325-L329 HydrophobicContact CG-CD1 4.19Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 3.28Å; L325-L329 VanDerWaalsContact O-N 3.08Å
326	W	97.2	Very high	93.8	Very high	53 Å²	53	50.1 Å²	50.1	20%	0.201	25%	0.25	C	C	.	.	H	α-helix	trans	-69.3	-31.2	-179.1	-67.8	117.2	0	0	0	112.8	W322 L329 C330 F602 L605 I609	W322-W326 AromaticContact CD1-CD1 3.98Å; W322-W326 AromaticContact CD2-CD1 3.91Å; W322-W326 AromaticContact CD2-NE1 3.64Å; W322-W326 AromaticContact CE2-CD1 3.62Å; W322-W326 AromaticContact CE2-NE1 3.26Å; W322-W326 VanDerWaalsContact CE2-NE1 3.26Å; W322-W326 AromaticContact CE3-NE1 3.94Å; W322-W326 HydrophobicContact CH2-CZ2 4.39Å; W322-W326 AromaticContact CH2-NE1 3.58Å; W322-W326 AromaticContact CZ2-NE1 3.24Å; W322-W326 AromaticContact CZ3-NE1 3.92Å; W322-W326 AromaticContact NE1-CD1 3.68Å; W322-W326 AromaticContact NE1-NE1 3.79Å; W322-W326 PolarHBondContact O-N 2.91Å; W326-L329 HydrophobicContact CE3-CD1 3.91Å; W326-L329 HydrophobicContact CZ3-CD1 3.97Å; W326-C330 WeakPolarHBondContact O-CB 3.47Å; W326-C330 PolarHBondContact O-N 3.17Å; W326-F602 AromaticContact CD1-CD2 3.88Å; W326-F602 AromaticContact CD2-CD2 3.64Å; W326-F602 HydrophobicContact CD2-CD2 3.64Å; W326-F602 AromaticContact CD2-CE2 3.76Å; W326-F602 HydrophobicContact CD2-CE2 3.76Å; W326-F602 AromaticContact CE2-CD2 3.49Å; W326-F602 VanDerWaalsContact CE2-CD2 3.49Å; W326-F602 AromaticContact CE2-CE2 3.53Å; W326-F602 HydrophobicContact CE3-CD2 4.2Å; W326-F602 AromaticContact CE3-CE2 3.92Å; W326-F602 HydrophobicContact CE3-CE2 3.92Å; W326-F602 AromaticContact CG-CD2 3.91Å; W326-F602 HydrophobicContact CG-CD2 3.91Å; W326-F602 HydrophobicContact CG-CE2 4.5Å; W326-F602 HydrophobicContact CH2-CD2 4.47Å; W326-F602 AromaticContact CH2-CE2 3.68Å; W326-F602 HydrophobicContact CH2-CE2 3.68Å; W326-F602 HydrophobicContact CH2-CZ 4.38Å; W326-F602 AromaticContact CZ2-CD2 3.95Å; W326-F602 HydrophobicContact CZ2-CD2 3.95Å; W326-F602 AromaticContact CZ2-CE2 3.5Å; W326-F602 HydrophobicContact CZ2-CE2 3.5Å; W326-F602 VanDerWaalsContact CZ2-CE2 3.5Å; W326-F602 HydrophobicContact CZ2-CZ 4.25Å; W326-F602 AromaticContact CZ3-CE2 3.88Å; W326-F602 HydrophobicContact CZ3-CE2 3.88Å; W326-F602 AromaticContact NE1-CD2 3.63Å; W326-L605 HydrophobicContact CB-CB 4.11Å; W326-L605 HydrophobicContact CB-CD1 3.88Å; W326-I609 HydrophobicContact CE3-CD1 3.54Å; W326-I609 HydrophobicContact CZ3-CD1 3.8Å
327	A	97.5	Very high	94.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-44.8	174.5	0	0	0	0	0	111.9	I323 G324 L325 C330 F331 L370 L605	I323-A327 WeakPolarHBondContact O-CB 3.38Å; I323-A327 PolarHBondContact O-N 3.24Å; G324-A327 PolarHBondContact O-N 3.47Å; L325-A327 VanDerWaalsContact C-N 3.34Å; L325-A327 PolarHBondContact O-N 3.4Å; A327-C330 PolarHBondContact O-N 3.27Å; A327-F331 VanDerWaalsContact O-CB 3.29Å; A327-F331 WeakPolarHBondContact O-CB 3.3Å; A327-F331 PolarHBondContact O-N 2.89Å; A327-L370 HydrophobicContact CB-CD2 4.07Å; A327-L370 HydrophobicContact CB-CG 4.48Å; A327-L605 HydrophobicContact CB-CD1 4.3Å
328	V	97.7	Very high	94.7	Very high	64 Å²	64	43 Å²	43	39%	0.388	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-46	176.5	171.8	0	0	0	0	111.3	G324 L325 C330 F331 L332 L370	G324-V328 WeakPolarHBondContact O-CG2 3.27Å; G324-V328 PolarHBondContact O-N 3.21Å; L325-V328 PolarHBondContact O-N 3.12Å; V328-C330 PolarHBondContact O-N 2.93Å; V328-F331 PolarHBondContact O-N 3.29Å; V328-L332 HydrophobicContact CG1-CD1 3.87Å; V328-L332 HydrophobicContact CG1-CG 4.37Å; V328-L332 WeakPolarHBondContact O-CG 3.41Å; V328-L332 PolarHBondContact O-N 3.06Å; V328-L370 HydrophobicContact CG2-CD2 3.7Å
329	L	96.8	Very high	94.8	Very high	72 Å²	72	41.6 Å²	41.6	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-62.8	-42	178.3	-69.2	172.5	0	0	0	112.1	L325 W326 S333 I609	L325-L329 HydrophobicContact CD1-CD1 4.04Å; L325-L329 HydrophobicContact CD1-CG 4.43Å; L325-L329 HydrophobicContact CG-CD1 4.19Å; L325-L329 WeakPolarHBondContact O-CG 3.46Å; L325-L329 PolarHBondContact O-N 3.28Å; L325-L329 VanDerWaalsContact O-N 3.08Å; W326-L329 HydrophobicContact CE3-CD1 3.91Å; W326-L329 HydrophobicContact CZ3-CD1 3.97Å; L329-S333 VanDerWaalsContact O-CB 3.25Å; L329-S333 WeakPolarHBondContact O-CB 3.26Å; L329-S333 PolarHBondContact O-N 2.91Å; L329-S333 VanDerWaalsContact O-N 3.08Å; L329-I609 HydrophobicContact CB-CD1 3.69Å; L329-I609 HydrophobicContact CB-CG1 4.33Å
330	C	97.4	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-44.4	175.3	-177.2	0	0	0	0	111.9	W326 A327 V328 T334 L605 I609	W326-C330 WeakPolarHBondContact O-CB 3.47Å; W326-C330 PolarHBondContact O-N 3.17Å; A327-C330 PolarHBondContact O-N 3.27Å; V328-C330 PolarHBondContact O-N 2.93Å; C330-T334 WeakPolarHBondContact O-CB 3.44Å; C330-T334 VanDerWaalsContact O-CG2 3.29Å; C330-T334 WeakPolarHBondContact O-CG2 3.21Å; C330-T334 PolarHBondContact O-N 2.95Å; C330-T334 PolarHBondContact O-OG1 3.24Å; C330-L605 HydrophobicContact CB-CB 4.49Å; C330-L605 HydrophobicContact CB-CD2 4.23Å; C330-L605 PolarHBondContact SG-O 3.24Å; C330-I609 HydrophobicContact CB-CG1 4.16Å
331	F	97.6	Very high	94.8	Very high	64 Å²	64	40.6 Å²	40.6	28%	0.281	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-52.3	176.7	-177	-93.4	0	0	0	111.7	A327 V328 S333 T334 V335 L363 S366 T367 L370	A327-F331 VanDerWaalsContact O-CB 3.29Å; A327-F331 WeakPolarHBondContact O-CB 3.3Å; A327-F331 PolarHBondContact O-N 2.89Å; V328-F331 PolarHBondContact O-N 3.29Å; F331-S333 PolarHBondContact O-N 3.41Å; F331-T334 PolarHBondContact O-N 3.47Å; F331-T334 PolarHBondContact O-OG1 3.26Å; F331-T334 VanDerWaalsContact O-OG1 3.07Å; F331-V335 HydrophobicContact CD1-CG2 3.96Å; F331-V335 HydrophobicContact CE1-CG2 3.66Å; F331-V335 HydrophobicContact CE2-CG2 4.26Å; F331-V335 HydrophobicContact CG-CG2 4.38Å; F331-V335 HydrophobicContact CZ-CG2 3.82Å; F331-V335 WeakPolarHBondContact O-CB 3.46Å; F331-V335 VanDerWaalsContact O-CG2 3.29Å; F331-V335 WeakPolarHBondContact O-CG2 3.21Å; F331-V335 PolarHBondContact O-N 3.33Å; F331-L363 HydrophobicContact CD2-CD1 3.55Å; F331-L363 HydrophobicContact CE2-CD1 3.55Å; F331-L363 HydrophobicContact CG-CD1 4.28Å; F331-L363 HydrophobicContact CZ-CD1 4.28Å; F331-S366 WeakPolarHBondContact CA-OG 3.46Å; F331-T367 WeakPolarHBondContact CE2-OG1 3.34Å; F331-L370 HydrophobicContact CB-CD1 3.84Å; F331-L370 HydrophobicContact CD1-CD1 4.14Å; F331-L370 HydrophobicContact CD2-CD1 3.62Å; F331-L370 HydrophobicContact CE2-CD1 4.18Å; F331-L370 HydrophobicContact CG-CD1 3.6Å
332	L	96.1	Very high	94.6	Very high	99 Å²	99	38.4 Å²	38.4	52%	0.518	20%	0.201	S	C	.	.	H	α-helix	trans	-61.1	-44.1	-179.4	-67.7	172.9	0	0	0	112.2	V328 V336	V328-L332 HydrophobicContact CG1-CD1 3.87Å; V328-L332 HydrophobicContact CG1-CG 4.37Å; V328-L332 WeakPolarHBondContact O-CG 3.41Å; V328-L332 PolarHBondContact O-N 3.06Å; L332-V336 WeakPolarHBondContact O-CG2 3.29Å; L332-V336 PolarHBondContact O-N 2.91Å; L332-V336 VanDerWaalsContact O-N 3.14Å
333	S	95.7	Very high	94.4	Very high	21 Å²	21	37.5 Å²	37.5	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-48.5	175.2	173.5	0	0	0	0	112.5	L329 F331 T337 G608 I609 G612	L329-S333 VanDerWaalsContact O-CB 3.25Å; L329-S333 WeakPolarHBondContact O-CB 3.26Å; L329-S333 PolarHBondContact O-N 2.91Å; L329-S333 VanDerWaalsContact O-N 3.08Å; F331-S333 PolarHBondContact O-N 3.41Å; S333-T337 WeakPolarHBondContact O-CB 3.07Å; S333-T337 PolarHBondContact O-N 3.21Å; S333-T337 VanDerWaalsContact O-N 3.08Å; S333-T337 PolarHBondContact O-OG1 3.32Å; S333-G608 VanDerWaalsContact CB-O 3.31Å; S333-G608 WeakPolarHBondContact CB-O 3.21Å; S333-G608 PolarHBondContact OG-O 3.46Å; S333-I609 WeakPolarHBondContact OG-CA 3.32Å; S333-I609 PolarHBondContact OG-O 2.7Å; S333-G612 VanDerWaalsContact OG-CA 3.27Å; S333-G612 WeakPolarHBondContact OG-CA 3.48Å; S333-G612 PolarHBondContact OG-N 2.94Å
334	T	95.8	Very high	94	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.9	-35.1	-177.1	53.9	0	0	0	0	112.7	C330 F331 T337 V338 S359 L363 G608	C330-T334 WeakPolarHBondContact O-CB 3.44Å; C330-T334 VanDerWaalsContact O-CG2 3.29Å; C330-T334 WeakPolarHBondContact O-CG2 3.21Å; C330-T334 PolarHBondContact O-N 2.95Å; C330-T334 PolarHBondContact O-OG1 3.24Å; F331-T334 PolarHBondContact O-N 3.47Å; F331-T334 PolarHBondContact O-OG1 3.26Å; F331-T334 VanDerWaalsContact O-OG1 3.07Å; T334-T337 WeakPolarHBondContact O-CB 3.16Å; T334-T337 PolarHBondContact O-N 2.88Å; T334-V338 WeakPolarHBondContact O-CG2 3.28Å; T334-V338 PolarHBondContact O-N 3.35Å; T334-S359 WeakPolarHBondContact CB-O 3.33Å; T334-S359 VanDerWaalsContact CG2-O 3.28Å; T334-S359 WeakPolarHBondContact CG2-O 3.16Å; T334-L363 WeakPolarHBondContact OG1-CA 3.34Å; T334-G608 WeakPolarHBondContact CG2-O 3.42Å
335	V	94.9	Very high	93.6	Very high	38 Å²	38	42.4 Å²	42.4	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-52.9	170.4	166.8	0	0	0	0	110.9	F331 T337 V338 I339 L363	F331-V335 HydrophobicContact CD1-CG2 3.96Å; F331-V335 HydrophobicContact CE1-CG2 3.66Å; F331-V335 HydrophobicContact CE2-CG2 4.26Å; F331-V335 HydrophobicContact CG-CG2 4.38Å; F331-V335 HydrophobicContact CZ-CG2 3.82Å; F331-V335 WeakPolarHBondContact O-CB 3.46Å; F331-V335 VanDerWaalsContact O-CG2 3.29Å; F331-V335 WeakPolarHBondContact O-CG2 3.21Å; F331-V335 PolarHBondContact O-N 3.33Å; V335-T337 PolarHBondContact O-N 3.33Å; V335-V338 PolarHBondContact O-N 2.95Å; V335-I339 HydrophobicContact CG1-CD1 3.57Å; V335-I339 HydrophobicContact CG1-CG1 4.33Å; V335-I339 WeakPolarHBondContact O-CB 3.49Å; V335-I339 WeakPolarHBondContact O-CG1 3.23Å; V335-I339 PolarHBondContact O-N 2.99Å; V335-L363 HydrophobicContact CG2-CD1 3.45Å; V335-L363 VanDerWaalsContact CG2-CD1 3.45Å
336	V	92.7	Very high	93	Very high	61 Å²	61	42.7 Å²	42.7	37%	0.37	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-34.7	-179.7	178.5	0	0	0	0	110.9	L332 T340 I615 W624	L332-V336 WeakPolarHBondContact O-CG2 3.29Å; L332-V336 PolarHBondContact O-N 2.91Å; L332-V336 VanDerWaalsContact O-N 3.14Å; V336-T340 VanDerWaalsContact O-CB 3.3Å; V336-T340 WeakPolarHBondContact O-CB 3.16Å; V336-T340 PolarHBondContact O-N 3.06Å; V336-T340 PolarHBondContact O-OG1 3.38Å; V336-I615 HydrophobicContact CG1-CD1 3.92Å; V336-W624 HydrophobicContact CG1-CZ2 4.01Å
337	T	92.5	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-49.2	175.1	-56.5	0	0	0	0	112.6	S333 T334 V335 T340 F341 I356 S359 G612 I615	S333-T337 WeakPolarHBondContact O-CB 3.07Å; S333-T337 PolarHBondContact O-N 3.21Å; S333-T337 VanDerWaalsContact O-N 3.08Å; S333-T337 PolarHBondContact O-OG1 3.32Å; T334-T337 WeakPolarHBondContact O-CB 3.16Å; T334-T337 PolarHBondContact O-N 2.88Å; V335-T337 PolarHBondContact O-N 3.33Å; T337-T340 PolarHBondContact O-N 3.36Å; T337-F341 PolarHBondContact O-N 2.89Å; T337-I356 HydrophobicContact CG2-CD1 4.28Å; T337-S359 WeakPolarHBondContact CG2-OG 3.46Å; T337-G612 WeakPolarHBondContact OG1-CA 3.16Å; T337-I615 HydrophobicContact CG2-CG2 3.97Å
338	V	92	Very high	91.8	Very high	22 Å²	22	42.9 Å²	42.9	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-65.9	-44.7	178.5	172.4	0	0	0	0	110.8	T334 V335 T340 F341 L342 F360 L363	T334-V338 WeakPolarHBondContact O-CG2 3.28Å; T334-V338 PolarHBondContact O-N 3.35Å; V335-V338 PolarHBondContact O-N 2.95Å; V338-T340 VanDerWaalsContact C-N 3.33Å; V338-T340 PolarHBondContact O-N 3.28Å; V338-F341 WeakPolarHBondContact O-CB 3.21Å; V338-F341 PolarHBondContact O-N 3.23Å; V338-F341 VanDerWaalsContact O-N 3.15Å; V338-L342 HydrophobicContact CG1-CD1 4.25Å; V338-L342 HydrophobicContact CG1-CG 4.38Å; V338-L342 WeakPolarHBondContact O-CG 3.2Å; V338-L342 PolarHBondContact O-N 3.23Å; V338-F360 HydrophobicContact CG2-CB 4Å; V338-F360 HydrophobicContact CG2-CD2 4.45Å; V338-L363 HydrophobicContact CG2-CD2 4.19Å
339	I	91.3	Very high	91.3	Very high	59 Å²	59	46.8 Å²	46.8	30%	0.303	24%	0.24	S	C	.	.	H	α-helix	trans	-62.7	-40	177.2	-65.1	172.4	0	0	0	111.1	V335 F341 L342 I343 W624	V335-I339 HydrophobicContact CG1-CD1 3.57Å; V335-I339 HydrophobicContact CG1-CG1 4.33Å; V335-I339 WeakPolarHBondContact O-CB 3.49Å; V335-I339 WeakPolarHBondContact O-CG1 3.23Å; V335-I339 PolarHBondContact O-N 2.99Å; I339-F341 VanDerWaalsContact C-N 3.28Å; I339-F341 PolarHBondContact O-N 3.06Å; I339-L342 PolarHBondContact O-N 3.03Å; I339-L342 VanDerWaalsContact O-N 3.09Å; I339-I343 HydrophobicContact CG2-CD1 3.74Å; I339-I343 HydrophobicContact CG2-CG1 4.21Å; I339-I343 WeakPolarHBondContact O-CG1 3.44Å; I339-I343 PolarHBondContact O-N 3.21Å; I339-W624 HydrophobicContact CB-CH2 4.03Å; I339-W624 HydrophobicContact CB-CZ2 3.97Å; I339-W624 HydrophobicContact CG2-CH2 3.42Å; I339-W624 VanDerWaalsContact CG2-CH2 3.42Å; I339-W624 HydrophobicContact CG2-CZ2 3.6Å; I339-W624 HydrophobicContact CG2-CZ3 4.26Å
340	T	91	Very high	91	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-40.3	174.7	-60.9	0	0	0	0	112	V336 T337 V338 D344 F348 I615 T620 W624	V336-T340 VanDerWaalsContact O-CB 3.3Å; V336-T340 WeakPolarHBondContact O-CB 3.16Å; V336-T340 PolarHBondContact O-N 3.06Å; V336-T340 PolarHBondContact O-OG1 3.38Å; T337-T340 PolarHBondContact O-N 3.36Å; V338-T340 VanDerWaalsContact C-N 3.33Å; V338-T340 PolarHBondContact O-N 3.28Å; T340-D344 PolarHBondContact O-N 3.33Å; T340-F348 HydrophobicContact CG2-CE2 4.38Å; T340-F348 HydrophobicContact CG2-CZ 4.13Å; T340-I615 HydrophobicContact CG2-CB 4.39Å; T340-I615 HydrophobicContact CG2-CD1 4.34Å; T340-I615 HydrophobicContact CG2-CG2 4.38Å; T340-I615 VanDerWaalsContact OG1-CD1 3.32Å; T340-I615 WeakPolarHBondContact OG1-CD1 3.31Å; T340-T620 HydrophobicContact CG2-CG2 3.77Å; T340-W624 PolarHBondContact OG1-NE1 3.23Å
341	F	89.2	Confident	90.7	Very high	19 Å²	19	44 Å²	44	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-40.6	173.3	171.3	-99	0	0	0	112.6	T337 V338 I339 I343 D344 M345 F348 I356	T337-F341 PolarHBondContact O-N 2.89Å; V338-F341 WeakPolarHBondContact O-CB 3.21Å; V338-F341 PolarHBondContact O-N 3.23Å; V338-F341 VanDerWaalsContact O-N 3.15Å; I339-F341 VanDerWaalsContact C-N 3.28Å; I339-F341 PolarHBondContact O-N 3.06Å; F341-I343 VanDerWaalsContact C-N 3.3Å; F341-I343 PolarHBondContact O-N 3.14Å; F341-D344 CarbonylContact O-C 3.57Å; F341-D344 PolarHBondContact O-N 3.25Å; F341-M345 HydrophobicContact CD1-CG 4.3Å; F341-M345 HydrophobicContact CE1-CE 4.23Å; F341-M345 HydrophobicContact CE1-CG 3.92Å; F341-M345 HydrophobicContact CE1-SD 4.34Å; F341-M345 HydrophobicContact CE2-CB 4.23Å; F341-M345 HydrophobicContact CE2-CG 4.23Å; F341-M345 HydrophobicContact CZ-CB 4.23Å; F341-M345 HydrophobicContact CZ-CG 3.88Å; F341-M345 HydrophobicContact CZ-SD 4.42Å; F341-M345 VanDerWaalsContact O-CA 3.3Å; F341-M345 WeakPolarHBondContact O-CA 3.37Å; F341-M345 WeakPolarHBondContact O-CG 3.14Å; F341-M345 PolarHBondContact O-N 2.68Å; F341-F348 HydrophobicContact CB-CD2 4.4Å; F341-F348 HydrophobicContact CB-CE2 4.48Å; F341-F348 HydrophobicContact CD2-CB 3.88Å; F341-F348 AromaticContact CD2-CD2 3.71Å; F341-F348 HydrophobicContact CD2-CD2 3.71Å; F341-F348 HydrophobicContact CD2-CG 4.03Å; F341-F348 HydrophobicContact CE2-CB 4.09Å; F341-I356 HydrophobicContact CB-CD1 4.31Å; F341-I356 HydrophobicContact CB-CG1 4.42Å; F341-I356 HydrophobicContact CB-CG2 3.66Å; F341-I356 HydrophobicContact CD1-CG2 3.84Å; F341-I356 HydrophobicContact CD2-CB 4.41Å; F341-I356 HydrophobicContact CD2-CG1 4.01Å; F341-I356 HydrophobicContact CD2-CG2 3.84Å; F341-I356 HydrophobicContact CE1-CG2 4.46Å; F341-I356 HydrophobicContact CE2-CG2 4.46Å; F341-I356 HydrophobicContact CG-CG1 4.39Å; F341-I356 HydrophobicContact CG-CG2 3.49Å; F341-I356 VanDerWaalsContact CG-CG2 3.49Å
342	L	89.9	Confident	90.3	Very high	89 Å²	89	42.7 Å²	42.7	47%	0.466	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-33.5	177.7	-65.8	178.6	0	0	0	112.7	V338 I339 M345	V338-L342 HydrophobicContact CG1-CD1 4.25Å; V338-L342 HydrophobicContact CG1-CG 4.38Å; V338-L342 WeakPolarHBondContact O-CG 3.2Å; V338-L342 PolarHBondContact O-N 3.23Å; I339-L342 PolarHBondContact O-N 3.03Å; I339-L342 VanDerWaalsContact O-N 3.09Å; L342-M345 HydrophobicContact CD2-CE 3.59Å
343	I	89.5	Confident	90.1	Very high	44 Å²	44	40.8 Å²	40.8	23%	0.226	21%	0.206	C	C	.	.	H	α-helix	trans	-70	-35.7	176.2	-69.6	167.9	0	0	0	111.9	I339 F341 W624 F627	I339-I343 HydrophobicContact CG2-CD1 3.74Å; I339-I343 HydrophobicContact CG2-CG1 4.21Å; I339-I343 WeakPolarHBondContact O-CG1 3.44Å; I339-I343 PolarHBondContact O-N 3.21Å; F341-I343 VanDerWaalsContact C-N 3.3Å; F341-I343 PolarHBondContact O-N 3.14Å; I343-W624 HydrophobicContact CD1-CD2 3.94Å; I343-W624 HydrophobicContact CD1-CE3 4.17Å; I343-W624 HydrophobicContact CD1-CG 4.43Å; I343-W624 HydrophobicContact CD1-CH2 4.45Å; I343-W624 HydrophobicContact CD1-CZ2 4.2Å; I343-W624 HydrophobicContact CD1-CZ3 4.42Å; I343-F627 HydrophobicContact CD1-CB 4.06Å; I343-F627 HydrophobicContact CD1-CD1 3.57Å; I343-F627 HydrophobicContact CD1-CD2 4.26Å; I343-F627 HydrophobicContact CD1-CE1 3.99Å; I343-F627 HydrophobicContact CD1-CG 3.71Å; I343-F627 HydrophobicContact CG1-CB 4.37Å; I343-F627 HydrophobicContact CG1-CD1 4.12Å; I343-F627 HydrophobicContact CG1-CD2 3.91Å; I343-F627 HydrophobicContact CG1-CE1 4.35Å; I343-F627 HydrophobicContact CG1-CE2 4.17Å; I343-F627 HydrophobicContact CG1-CG 3.88Å; I343-F627 HydrophobicContact CG1-CZ 4.38Å; I343-F627 HydrophobicContact CG2-CB 3.98Å; I343-F627 HydrophobicContact CG2-CD2 4.43Å; I343-F627 HydrophobicContact CG2-CG 4.33Å
344	D	85.8	Confident	90	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.144	20%	0.199	C	C	.	.			trans	-143.5	59.2	-170	-161.4	-15	0	0	0	111.7	T340 F341 S346 R347 F348 S623 R626	T340-D344 PolarHBondContact O-N 3.33Å; F341-D344 CarbonylContact O-C 3.57Å; F341-D344 PolarHBondContact O-N 3.25Å; D344-S346 PolarHBondContact O-N 3.46Å; D344-S346 VanDerWaalsContact O-N 3.16Å; D344-S346 PolarHBondContact OD1-OG 2.89Å; D344-R347 HydrophobicContact CB-CB 4.36Å; D344-R347 WeakPolarHBondContact O-CB 3.42Å; D344-R347 PolarHBondContact O-N 2.84Å; D344-R347 PolarHBondContact OD1-N 3.47Å; D344-F348 WeakPolarHBondContact O-CD2 3.46Å; D344-S623 PolarHBondContact OD2-OG 2.79Å; D344-R626 IonicContact OD2-NH2 3.75Å
345	M	87.5	Confident	89.8	Confident	87 Å²	87	39.8 Å²	39.8	43%	0.429	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-57	-32.2	-179.9	-65.4	-175.6	-177.5	0	0	112.3	F341 L342 R347 F348	F341-M345 HydrophobicContact CD1-CG 4.3Å; F341-M345 HydrophobicContact CE1-CE 4.23Å; F341-M345 HydrophobicContact CE1-CG 3.92Å; F341-M345 HydrophobicContact CE1-SD 4.34Å; F341-M345 HydrophobicContact CE2-CB 4.23Å; F341-M345 HydrophobicContact CE2-CG 4.23Å; F341-M345 HydrophobicContact CZ-CB 4.23Å; F341-M345 HydrophobicContact CZ-CG 3.88Å; F341-M345 HydrophobicContact CZ-SD 4.42Å; F341-M345 VanDerWaalsContact O-CA 3.3Å; F341-M345 WeakPolarHBondContact O-CA 3.37Å; F341-M345 WeakPolarHBondContact O-CG 3.14Å; F341-M345 PolarHBondContact O-N 2.68Å; L342-M345 HydrophobicContact CD2-CE 3.59Å; M345-R347 PolarHBondContact O-N 3.46Å; M345-R347 VanDerWaalsContact O-N 3.17Å; M345-F348 PolarHBondContact O-N 3.48Å
346	S	84.3	Confident	89.7	Confident	77 Å²	77	38.2 Å²	38.2	54%	0.538	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-55.7	-22	174.5	29.4	0	0	0	0	114.5	D344 Y349	D344-S346 PolarHBondContact O-N 3.46Å; D344-S346 VanDerWaalsContact O-N 3.16Å; D344-S346 PolarHBondContact OD1-OG 2.89Å; S346-Y349 WeakPolarHBondContact O-CE2 3.36Å; S346-Y349 PolarHBondContact O-OH 3.12Å
347	R	84.4	Confident	89.8	Confident	55 Å²	55	35.8 Å²	35.8	21%	0.208	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-82.6	-22.1	-178.4	176.1	175.6	158	-169	-10.7	113.8	D344 M345 S617 K619 T620	D344-R347 HydrophobicContact CB-CB 4.36Å; D344-R347 WeakPolarHBondContact O-CB 3.42Å; D344-R347 PolarHBondContact O-N 2.84Å; D344-R347 PolarHBondContact OD1-N 3.47Å; M345-R347 PolarHBondContact O-N 3.46Å; M345-R347 VanDerWaalsContact O-N 3.17Å; R347-S617 PolarHBondContact NH2-OG 3.11Å; R347-K619 PolarHBondContact NH1-O 3.24Å; R347-T620 PolarHBondContact NH1-OG1 2.95Å; R347-T620 PolarHBondContact NH2-OG1 3.47Å
348	F	85.4	Confident	89.9	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	17%	0.174	C	C	.	.			trans	-112.2	73.6	-164.9	-61	-81.3	0	0	0	112.7	T340 F341 D344 M345 I356 I615	T340-F348 HydrophobicContact CG2-CE2 4.38Å; T340-F348 HydrophobicContact CG2-CZ 4.13Å; F341-F348 HydrophobicContact CB-CD2 4.4Å; F341-F348 HydrophobicContact CB-CE2 4.48Å; F341-F348 HydrophobicContact CD2-CB 3.88Å; F341-F348 AromaticContact CD2-CD2 3.71Å; F341-F348 HydrophobicContact CD2-CD2 3.71Å; F341-F348 HydrophobicContact CD2-CG 4.03Å; F341-F348 HydrophobicContact CE2-CB 4.09Å; D344-F348 WeakPolarHBondContact O-CD2 3.46Å; M345-F348 PolarHBondContact O-N 3.48Å; F348-I356 HydrophobicContact CB-CG1 4.38Å; F348-I356 HydrophobicContact CD1-CD1 3.99Å; F348-I356 HydrophobicContact CD1-CG1 4.26Å; F348-I356 HydrophobicContact CE1-CD1 4.12Å; F348-I356 HydrophobicContact CG-CD1 4.36Å; F348-I356 HydrophobicContact CG-CG1 4.31Å; F348-I615 HydrophobicContact CE1-CG2 4.39Å; F348-I615 HydrophobicContact CZ-CG2 4.33Å
349	Y	87.9	Confident	90.1	Very high	146 Å²	146	34.8 Å²	34.8	57%	0.573	17%	0.168	S	C	*	.			trans	-74.8	168.4	171.9	-62.4	-78.3	0	0	0	112.2	S346 E352 R353	S346-Y349 WeakPolarHBondContact O-CE2 3.36Å; S346-Y349 PolarHBondContact O-OH 3.12Å; Y349-E352 PolarHBondContact O-N 3.02Å; Y349-R353 PolarHBondContact O-N 3.3Å
350	Y	90.9	Very high	90.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.016	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	146.6	160.9	-72.3	-84.3	0	0	0	109.4	R353 P354 T423 N434 I437 S441 F444	Y350-R353 HydrophobicContact CD1-CB 4.24Å; Y350-R353 HydrophobicContact CD2-CB 4.44Å; Y350-R353 HydrophobicContact CE1-CB 4.28Å; Y350-R353 HydrophobicContact CE2-CB 4.47Å; Y350-R353 HydrophobicContact CG-CB 4.32Å; Y350-P354 HydrophobicContact CD1-CG 4.22Å; Y350-P354 HydrophobicContact CE1-CG 4.01Å; Y350-T423 HydrophobicContact CD1-CG2 4.2Å; Y350-N434 WeakPolarHBondContact O-CB 3.49Å; Y350-N434 VanDerWaalsContact O-CG 3.23Å; Y350-N434 PolarHBondContact O-OD1 2.82Å; Y350-N434 VanDerWaalsContact O-OD1 3.1Å; Y350-I437 HydrophobicContact CD1-CG2 4.06Å; Y350-I437 HydrophobicContact CG-CG2 3.96Å; Y350-S441 WeakPolarHBondContact OH-CB 3.41Å; Y350-F444 AromaticContact CE1-CD2 3.91Å; Y350-F444 HydrophobicContact CE1-CD2 3.91Å; Y350-F444 HydrophobicContact CE1-CE2 4.38Å
351	P	90.7	Very high	90.6	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.6	3.4	3.4	34	-35.7	0	0	0	116	P354 L420 A427 I536	P351-P354 VanDerWaalsContact O-CD 3.28Å; P351-P354 WeakPolarHBondContact O-CD 3.33Å; P351-L420 WeakPolarHBondContact O-CD1 3.48Å; P351-A427 HydrophobicContact CB-CB 4.48Å; P351-A427 HydrophobicContact CG-CB 3.99Å; P351-I536 HydrophobicContact CG-CD1 3.88Å
352	E	89	Confident	91	Very high	37 Å²	37	33.9 Å²	33.9	17%	0.173	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-33.5	177.7	-72.6	-168.3	-120.6	0	0	113.6	Y349 P354 I355 L532 I536 W614	Y349-E352 PolarHBondContact O-N 3.02Å; E352-P354 WeakPolarHBondContact O-CD 3.28Å; E352-P354 VanDerWaalsContact O-N 3.11Å; E352-I355 WeakPolarHBondContact O-CB 3.44Å; E352-I355 WeakPolarHBondContact O-CG1 3.34Å; E352-I355 PolarHBondContact O-N 3.47Å; E352-L532 HydrophobicContact CG-CD1 4.06Å; E352-L532 WeakPolarHBondContact OE1-CD1 3.46Å; E352-I536 HydrophobicContact CG-CD1 3.81Å; E352-I536 HydrophobicContact CG-CG1 4.37Å; E352-W614 HydrophobicContact CG-CZ2 4.11Å; E352-W614 PolarHBondContact OE2-NE1 3.19Å
353	R	91.2	Very high	91.4	Very high	59 Å²	59	30.8 Å²	30.8	22%	0.223	15%	0.145	C	C	.	.	H	α-helix	trans	-49.5	-36.8	-169	-163.2	171	179	150.4	-2.9	116.7	Y349 Y350 I355 I356 F357	Y349-R353 PolarHBondContact O-N 3.3Å; Y350-R353 HydrophobicContact CD1-CB 4.24Å; Y350-R353 HydrophobicContact CD2-CB 4.44Å; Y350-R353 HydrophobicContact CE1-CB 4.28Å; Y350-R353 HydrophobicContact CE2-CB 4.47Å; Y350-R353 HydrophobicContact CG-CB 4.32Å; R353-I355 PolarHBondContact O-N 3.24Å; R353-I356 WeakPolarHBondContact O-CB 3.46Å; R353-I356 PolarHBondContact O-N 3.37Å; R353-I356 VanDerWaalsContact O-N 3.12Å; R353-F357 HydrophobicContact CG-CE2 3.85Å; R353-F357 HydrophobicContact CG-CZ 4.15Å
354	P	94.1	Very high	91.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.6	-27.9	175.3	-25.4	36.6	0	0	0	114.6	Y350 P351 E352 I356 F357 L358 W416 V419 L420	Y350-P354 HydrophobicContact CD1-CG 4.22Å; Y350-P354 HydrophobicContact CE1-CG 4.01Å; P351-P354 VanDerWaalsContact O-CD 3.28Å; P351-P354 WeakPolarHBondContact O-CD 3.33Å; E352-P354 WeakPolarHBondContact O-CD 3.28Å; E352-P354 VanDerWaalsContact O-N 3.11Å; P354-I356 PolarHBondContact O-N 3.45Å; P354-F357 PolarHBondContact O-N 3.27Å; P354-L358 WeakPolarHBondContact O-CB 3.35Å; P354-L358 PolarHBondContact O-N 3.37Å; P354-W416 HydrophobicContact CB-CE3 4.06Å; P354-V419 HydrophobicContact CB-CG1 4.38Å; P354-V419 HydrophobicContact CG-CG1 3.9Å; P354-L420 HydrophobicContact CB-CB 3.99Å; P354-L420 HydrophobicContact CB-CD1 4.12Å; P354-L420 HydrophobicContact CG-CD1 4.31Å
355	I	92.5	Very high	92.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-35	176.7	-58.4	175.1	0	0	0	110.8	E352 R353 S359 L420 F539 W614	E352-I355 WeakPolarHBondContact O-CB 3.44Å; E352-I355 WeakPolarHBondContact O-CG1 3.34Å; E352-I355 PolarHBondContact O-N 3.47Å; R353-I355 PolarHBondContact O-N 3.24Å; I355-S359 WeakPolarHBondContact O-CB 3.36Å; I355-S359 PolarHBondContact O-N 3Å; I355-S359 PolarHBondContact O-OG 2.85Å; I355-L420 HydrophobicContact CD1-CD1 4.25Å; I355-L420 HydrophobicContact CD1-CD2 4.34Å; I355-L420 HydrophobicContact CG1-CD1 3.76Å; I355-L420 HydrophobicContact CG1-CD2 3.7Å; I355-L420 HydrophobicContact CG1-CG 4.41Å; I355-F539 HydrophobicContact CB-CE1 4.43Å; I355-F539 HydrophobicContact CD1-CD1 3.89Å; I355-F539 HydrophobicContact CD1-CE1 4.22Å; I355-F539 HydrophobicContact CG1-CD1 4.02Å; I355-F539 HydrophobicContact CG1-CE1 3.89Å; I355-F539 HydrophobicContact CG2-CE1 3.9Å; I355-F539 HydrophobicContact CG2-CZ 4.02Å; I355-W614 HydrophobicContact CD1-CD2 3.68Å; I355-W614 HydrophobicContact CD1-CE3 4.03Å; I355-W614 HydrophobicContact CD1-CG 4.17Å; I355-W614 HydrophobicContact CD1-CH2 4.22Å; I355-W614 HydrophobicContact CD1-CZ2 3.9Å; I355-W614 HydrophobicContact CD1-CZ3 4.27Å; I355-W614 HydrophobicContact CG2-CB 4.24Å; I355-W614 HydrophobicContact CG2-CG 4.06Å
356	I	92.6	Very high	92.9	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-69.5	-43.7	177.1	-54	-54.2	0	0	0	111	T337 F341 F348 R353 P354 S359 F360	T337-I356 HydrophobicContact CG2-CD1 4.28Å; F341-I356 HydrophobicContact CB-CD1 4.31Å; F341-I356 HydrophobicContact CB-CG1 4.42Å; F341-I356 HydrophobicContact CB-CG2 3.66Å; F341-I356 HydrophobicContact CD1-CG2 3.84Å; F341-I356 HydrophobicContact CD2-CB 4.41Å; F341-I356 HydrophobicContact CD2-CG1 4.01Å; F341-I356 HydrophobicContact CD2-CG2 3.84Å; F341-I356 HydrophobicContact CE1-CG2 4.46Å; F341-I356 HydrophobicContact CE2-CG2 4.46Å; F341-I356 HydrophobicContact CG-CG1 4.39Å; F341-I356 HydrophobicContact CG-CG2 3.49Å; F341-I356 VanDerWaalsContact CG-CG2 3.49Å; F348-I356 HydrophobicContact CB-CG1 4.38Å; F348-I356 HydrophobicContact CD1-CD1 3.99Å; F348-I356 HydrophobicContact CD1-CG1 4.26Å; F348-I356 HydrophobicContact CE1-CD1 4.12Å; F348-I356 HydrophobicContact CG-CD1 4.36Å; F348-I356 HydrophobicContact CG-CG1 4.31Å; R353-I356 WeakPolarHBondContact O-CB 3.46Å; R353-I356 PolarHBondContact O-N 3.37Å; R353-I356 VanDerWaalsContact O-N 3.12Å; P354-I356 PolarHBondContact O-N 3.45Å; I356-S359 WeakPolarHBondContact O-CB 3.43Å; I356-S359 PolarHBondContact O-N 2.85Å; I356-F360 PolarHBondContact O-N 2.82Å
357	F	94.7	Very high	93.5	Very high	11 Å²	11	23.7 Å²	23.7	5%	0.048	10%	0.104	C	C	.	.	H	α-helix	trans	-69.5	-35.9	178.8	-59.5	-45.5	0	0	0	112.3	M72 R353 P354 F360 C361 W416 H445	M72-F357 HydrophobicContact CE-CD1 4.5Å; M72-F357 HydrophobicContact CE-CE1 3.77Å; M72-F357 HydrophobicContact CE-CZ 4.27Å; M72-F357 HydrophobicContact SD-CE1 4.44Å; R353-F357 HydrophobicContact CG-CE2 3.85Å; R353-F357 HydrophobicContact CG-CZ 4.15Å; P354-F357 PolarHBondContact O-N 3.27Å; F357-F360 PolarHBondContact O-N 3.39Å; F357-C361 PolarHBondContact O-N 3.45Å; F357-C361 PolarHBondContact O-SG 3.47Å; F357-W416 HydrophobicContact CB-CD2 3.65Å; F357-W416 HydrophobicContact CB-CE3 4.15Å; F357-W416 HydrophobicContact CB-CG 3.95Å; F357-W416 HydrophobicContact CB-CH2 4.5Å; F357-W416 HydrophobicContact CB-CZ2 4.03Å; F357-W416 HydrophobicContact CD2-CD2 4.19Å; F357-W416 AromaticContact CD2-CE3 3.92Å; F357-W416 HydrophobicContact CD2-CE3 3.92Å; F357-W416 AromaticContact CD2-CH2 3.42Å; F357-W416 HydrophobicContact CD2-CH2 3.42Å; F357-W416 VanDerWaalsContact CD2-CH2 3.42Å; F357-W416 AromaticContact CD2-CZ2 3.7Å; F357-W416 HydrophobicContact CD2-CZ2 3.7Å; F357-W416 AromaticContact CD2-CZ3 3.54Å; F357-W416 HydrophobicContact CD2-CZ3 3.54Å; F357-W416 AromaticContact CE2-CH2 3.86Å; F357-W416 HydrophobicContact CE2-CH2 3.86Å; F357-W416 HydrophobicContact CE2-CZ2 4.36Å; F357-W416 HydrophobicContact CE2-CZ3 4.17Å; F357-W416 HydrophobicContact CG-CD2 4.34Å; F357-W416 HydrophobicContact CG-CH2 4.18Å; F357-W416 AromaticContact CG-CZ2 3.98Å; F357-W416 HydrophobicContact CG-CZ2 3.98Å; F357-W416 HydrophobicContact CG-CZ3 4.44Å; F357-H445 AromaticContact CE2-CE1 3.53Å; F357-H445 AromaticContact CE2-NE2 3.27Å; F357-H445 VanDerWaalsContact CE2-NE2 3.27Å; F357-H445 WeakPolarHBondContact CE2-NE2 2.96Å; F357-H445 AromaticContact CZ-CE1 3.42Å; F357-H445 VanDerWaalsContact CZ-CE1 3.42Å; F357-H445 WeakPolarHBondContact CZ-CE1 3.4Å; F357-H445 AromaticContact CZ-NE2 3.49Å; F357-H445 WeakPolarHBondContact CZ-NE2 3.3Å
358	L	95	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-45.7	168.9	179	150.7	0	0	0	111.2	P354 F360 C361 Y362 W416 W417 F539 Y543 V607	P354-L358 WeakPolarHBondContact O-CB 3.35Å; P354-L358 PolarHBondContact O-N 3.37Å; L358-F360 PolarHBondContact O-N 2.9Å; L358-C361 WeakPolarHBondContact O-CB 3.47Å; L358-C361 PolarHBondContact O-N 2.88Å; L358-C361 VanDerWaalsContact O-N 3.14Å; L358-Y362 HydrophobicContact CD2-CD2 3.85Å; L358-Y362 HydrophobicContact CD2-CE2 3.86Å; L358-Y362 HydrophobicContact CG-CD2 4.22Å; L358-Y362 HydrophobicContact CG-CE2 3.97Å; L358-Y362 VanDerWaalsContact O-CD2 3.24Å; L358-Y362 WeakPolarHBondContact O-CD2 3.3Å; L358-Y362 PolarHBondContact O-N 3.17Å; L358-Y362 VanDerWaalsContact O-N 3.08Å; L358-W416 HydrophobicContact CB-CB 4.3Å; L358-W417 HydrophobicContact CD1-CB 3.99Å; L358-F539 HydrophobicContact CD2-CZ 4.38Å; L358-Y543 HydrophobicContact CD1-CD2 3.96Å; L358-Y543 HydrophobicContact CD1-CE2 3.85Å; L358-V607 HydrophobicContact CD2-CG1 4.09Å
359	S	95.1	Very high	94.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.7	-41.9	176.3	-56.6	0	0	0	0	112.4	T334 T337 I355 I356 C361 Y362 L363 S611	T334-S359 WeakPolarHBondContact CB-O 3.33Å; T334-S359 VanDerWaalsContact CG2-O 3.28Å; T334-S359 WeakPolarHBondContact CG2-O 3.16Å; T337-S359 WeakPolarHBondContact CG2-OG 3.46Å; I355-S359 WeakPolarHBondContact O-CB 3.36Å; I355-S359 PolarHBondContact O-N 3Å; I355-S359 PolarHBondContact O-OG 2.85Å; I356-S359 WeakPolarHBondContact O-CB 3.43Å; I356-S359 PolarHBondContact O-N 2.85Å; S359-C361 VanDerWaalsContact C-N 3.31Å; S359-C361 PolarHBondContact O-N 3.47Å; S359-Y362 PolarHBondContact O-N 3.41Å; S359-L363 PolarHBondContact O-N 3.25Å; S359-S611 WeakPolarHBondContact OG-CB 3.47Å; S359-S611 PolarHBondContact OG-OG 3.24Å
360	F	95.9	Very high	95.1	Very high	49 Å²	49	16 Å²	16	22%	0.215	8%	0.076	C	C	.	.	H	α-helix	trans	-61.6	-37.5	172.9	170.7	-88	0	0	0	112	W76 V338 I356 F357 L358 L363 M364 F409	W76-F360 AromaticContact CH2-CE1 3.51Å; W76-F360 HydrophobicContact CH2-CE1 3.51Å; W76-F360 AromaticContact CH2-CZ 3.65Å; W76-F360 HydrophobicContact CH2-CZ 3.65Å; W76-F360 HydrophobicContact CZ2-CE1 4.02Å; W76-F360 HydrophobicContact CZ2-CZ 4.41Å; W76-F360 HydrophobicContact CZ3-CE1 4.49Å; W76-F360 HydrophobicContact CZ3-CZ 4.23Å; V338-F360 HydrophobicContact CG2-CB 4Å; V338-F360 HydrophobicContact CG2-CD2 4.45Å; I356-F360 PolarHBondContact O-N 2.82Å; F357-F360 PolarHBondContact O-N 3.39Å; L358-F360 PolarHBondContact O-N 2.9Å; F360-L363 WeakPolarHBondContact O-CB 3.39Å; F360-L363 PolarHBondContact O-N 2.93Å; F360-M364 HydrophobicContact CE1-CG 3.97Å; F360-M364 HydrophobicContact CE2-CG 4.47Å; F360-M364 HydrophobicContact CE2-SD 4.07Å; F360-M364 HydrophobicContact CZ-CG 3.9Å; F360-M364 HydrophobicContact CZ-SD 3.85Å; F360-M364 WeakPolarHBondContact O-CG 3.39Å; F360-M364 PolarHBondContact O-N 2.91Å; F360-F409 HydrophobicContact CE1-CD1 4.37Å; F360-F409 AromaticContact CE1-CE1 3.89Å; F360-F409 HydrophobicContact CE1-CE1 3.89Å
361	C	97.7	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.4	-45.1	174.1	-66.1	0	0	0	0	111.3	F357 L358 S359 L363 M364 V365 F409	F357-C361 PolarHBondContact O-N 3.45Å; F357-C361 PolarHBondContact O-SG 3.47Å; L358-C361 WeakPolarHBondContact O-CB 3.47Å; L358-C361 PolarHBondContact O-N 2.88Å; L358-C361 VanDerWaalsContact O-N 3.14Å; S359-C361 VanDerWaalsContact C-N 3.31Å; S359-C361 PolarHBondContact O-N 3.47Å; C361-L363 VanDerWaalsContact C-N 3.29Å; C361-L363 PolarHBondContact O-N 3.34Å; C361-M364 PolarHBondContact O-N 3.34Å; C361-M364 VanDerWaalsContact O-N 3.09Å; C361-V365 WeakPolarHBondContact O-CG2 3.48Å; C361-V365 PolarHBondContact O-N 2.89Å; C361-F409 HydrophobicContact CB-CB 4.17Å; C361-F409 WeakPolarHBondContact CB-O 3.2Å
362	Y	97.4	Very high	95.4	Very high	12 Å²	12	17.5 Å²	17.5	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-68.1	-24.1	177	-74.9	-70.2	0	0	0	114.1	L358 S359 V365 S366 S413 Y543 C604 V607	L358-Y362 HydrophobicContact CD2-CD2 3.85Å; L358-Y362 HydrophobicContact CD2-CE2 3.86Å; L358-Y362 HydrophobicContact CG-CD2 4.22Å; L358-Y362 HydrophobicContact CG-CE2 3.97Å; L358-Y362 VanDerWaalsContact O-CD2 3.24Å; L358-Y362 WeakPolarHBondContact O-CD2 3.3Å; L358-Y362 PolarHBondContact O-N 3.17Å; L358-Y362 VanDerWaalsContact O-N 3.08Å; S359-Y362 PolarHBondContact O-N 3.41Å; Y362-V365 HydrophobicContact CD1-CB 4.49Å; Y362-S366 WeakPolarHBondContact O-CB 3.35Å; Y362-S366 PolarHBondContact O-N 3.15Å; Y362-S366 PolarHBondContact O-OG 3.42Å; Y362-S413 PolarHBondContact OH-OG 3.31Å; Y362-Y543 HydrophobicContact CE2-CE2 4.44Å; Y362-C604 VanDerWaalsContact CE1-O 3.29Å; Y362-C604 WeakPolarHBondContact CE1-O 3.16Å; Y362-V607 HydrophobicContact CD2-CB 4.34Å; Y362-V607 HydrophobicContact CD2-CG1 4.01Å; Y362-V607 HydrophobicContact CE1-CB 4.09Å; Y362-V607 HydrophobicContact CE2-CB 3.76Å; Y362-V607 HydrophobicContact CE2-CG1 3.33Å
363	L	97.6	Very high	95.7	Very high	24 Å²	24	18.7 Å²	18.7	13%	0.126	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-44.7	167.3	178.9	57.2	0	0	0	111.4	F331 T334 V335 V338 S359 F360 C361 S366 T367	F331-L363 HydrophobicContact CD2-CD1 3.55Å; F331-L363 HydrophobicContact CE2-CD1 3.55Å; F331-L363 HydrophobicContact CG-CD1 4.28Å; F331-L363 HydrophobicContact CZ-CD1 4.28Å; T334-L363 WeakPolarHBondContact OG1-CA 3.34Å; V335-L363 HydrophobicContact CG2-CD1 3.45Å; V335-L363 VanDerWaalsContact CG2-CD1 3.45Å; V338-L363 HydrophobicContact CG2-CD2 4.19Å; S359-L363 PolarHBondContact O-N 3.25Å; F360-L363 WeakPolarHBondContact O-CB 3.39Å; F360-L363 PolarHBondContact O-N 2.93Å; C361-L363 VanDerWaalsContact C-N 3.29Å; C361-L363 PolarHBondContact O-N 3.34Å; L363-S366 PolarHBondContact O-OG 3.32Å; L363-S366 VanDerWaalsContact O-OG 3.06Å; L363-T367 WeakPolarHBondContact O-CB 3.26Å; L363-T367 PolarHBondContact O-N 3.41Å; L363-T367 PolarHBondContact O-OG1 3.21Å
364	M	98	Very high	95.8	Very high	46 Å²	46	22.8 Å²	22.8	23%	0.227	12%	0.115	C	C	.	.	H	α-helix	trans	-71.3	-40.5	178.1	-52.7	-49.6	-62.9	0	0	111.9	F360 C361 T367 G368 L405 F409	F360-M364 HydrophobicContact CE1-CG 3.97Å; F360-M364 HydrophobicContact CE2-CG 4.47Å; F360-M364 HydrophobicContact CE2-SD 4.07Å; F360-M364 HydrophobicContact CZ-CG 3.9Å; F360-M364 HydrophobicContact CZ-SD 3.85Å; F360-M364 WeakPolarHBondContact O-CG 3.39Å; F360-M364 PolarHBondContact O-N 2.91Å; C361-M364 PolarHBondContact O-N 3.34Å; C361-M364 VanDerWaalsContact O-N 3.09Å; M364-T367 WeakPolarHBondContact O-CB 3.41Å; M364-T367 PolarHBondContact O-N 2.87Å; M364-G368 PolarHBondContact O-N 2.94Å; M364-L405 CarbonylContact C-O 3.16Å; M364-L405 HydrophobicContact CB-CD2 4.15Å; M364-L405 HydrophobicContact CE-CD2 3.55Å; M364-F409 HydrophobicContact CB-CB 4.05Å; M364-F409 HydrophobicContact CB-CD1 3.94Å; M364-F409 HydrophobicContact CB-CD2 3.43Å; M364-F409 VanDerWaalsContact CB-CD2 3.43Å; M364-F409 HydrophobicContact CB-CE1 4.26Å; M364-F409 HydrophobicContact CB-CE2 3.78Å; M364-F409 HydrophobicContact CB-CG 3.51Å; M364-F409 HydrophobicContact CB-CZ 4.19Å; M364-F409 HydrophobicContact CG-CD1 3.83Å; M364-F409 HydrophobicContact CG-CD2 4.03Å; M364-F409 HydrophobicContact CG-CE1 3.8Å; M364-F409 HydrophobicContact CG-CE2 3.97Å; M364-F409 HydrophobicContact CG-CG 3.96Å; M364-F409 HydrophobicContact CG-CZ 3.86Å
365	V	97.9	Very high	95.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-48.9	176.3	175.2	0	0	0	0	111.2	C361 Y362 T367 G368 Y369 L405 F409 S410	C361-V365 WeakPolarHBondContact O-CG2 3.48Å; C361-V365 PolarHBondContact O-N 2.89Å; Y362-V365 HydrophobicContact CD1-CB 4.49Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.2Å; V365-G368 PolarHBondContact O-N 3.36Å; V365-G368 VanDerWaalsContact O-N 3.12Å; V365-Y369 HydrophobicContact CG1-CD2 4.23Å; V365-Y369 HydrophobicContact CG1-CE2 3.91Å; V365-Y369 WeakPolarHBondContact O-CD2 3.11Å; V365-Y369 PolarHBondContact O-N 3.1Å; V365-L405 WeakPolarHBondContact CA-O 3.4Å; V365-L405 PolarHBondContact N-O 2.99Å; V365-F409 HydrophobicContact CG2-CB 3.79Å; V365-S410 WeakPolarHBondContact CG2-OG 3.4Å
366	S	97.8	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-38.7	176.4	53.9	0	0	0	0	111.9	F331 Y362 L363 G368 Y369 L370	F331-S366 WeakPolarHBondContact CA-OG 3.46Å; Y362-S366 WeakPolarHBondContact O-CB 3.35Å; Y362-S366 PolarHBondContact O-N 3.15Å; Y362-S366 PolarHBondContact O-OG 3.42Å; L363-S366 PolarHBondContact O-OG 3.32Å; L363-S366 VanDerWaalsContact O-OG 3.06Å; S366-G368 VanDerWaalsContact C-N 3.28Å; S366-G368 PolarHBondContact O-N 3.42Å; S366-Y369 PolarHBondContact O-N 3.39Å; S366-Y369 VanDerWaalsContact O-N 3.14Å; S366-L370 WeakPolarHBondContact O-CG 3.48Å; S366-L370 PolarHBondContact O-N 3.23Å
367	T	97.8	Very high	95.6	Very high	38 Å²	38	27.5 Å²	27.5	23%	0.233	15%	0.148	C	C	.	.	H	α-helix	trans	-56.1	-40.6	171.7	-57.6	0	0	0	0	112.2	F331 L363 M364 V365 Y369 L370 I371 L405	F331-T367 WeakPolarHBondContact CE2-OG1 3.34Å; L363-T367 WeakPolarHBondContact O-CB 3.26Å; L363-T367 PolarHBondContact O-N 3.41Å; L363-T367 PolarHBondContact O-OG1 3.21Å; M364-T367 WeakPolarHBondContact O-CB 3.41Å; M364-T367 PolarHBondContact O-N 2.87Å; V365-T367 VanDerWaalsContact C-N 3.33Å; V365-T367 PolarHBondContact O-N 3.2Å; T367-Y369 PolarHBondContact O-N 3.16Å; T367-L370 PolarHBondContact O-N 2.92Å; T367-I371 HydrophobicContact CG2-CD1 4.26Å; T367-I371 WeakPolarHBondContact O-CG1 3.33Å; T367-I371 PolarHBondContact O-N 2.92Å; T367-L405 HydrophobicContact CG2-CD1 4.37Å
368	G	96.1	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.6	-43.4	175	0	0	0	0	0	113.4	M364 V365 S366 R372	M364-G368 PolarHBondContact O-N 2.94Å; V365-G368 PolarHBondContact O-N 3.36Å; V365-G368 VanDerWaalsContact O-N 3.12Å; S366-G368 VanDerWaalsContact C-N 3.28Å; S366-G368 PolarHBondContact O-N 3.42Å; G368-R372 PolarHBondContact O-N 3.47Å
369	Y	97.4	Very high	95.2	Very high	13 Å²	13	32.6 Å²	32.6	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-68.7	-36.6	173.5	-72.8	-78	0	0	0	112.8	I323 V365 S366 T367 R372 L373 T406 I473 Y601 L605	I323-Y369 HydrophobicContact CG2-CD1 3.46Å; I323-Y369 VanDerWaalsContact CG2-CD1 3.46Å; I323-Y369 HydrophobicContact CG2-CE1 3.97Å; I323-Y369 HydrophobicContact CG2-CG 4.18Å; V365-Y369 HydrophobicContact CG1-CD2 4.23Å; V365-Y369 HydrophobicContact CG1-CE2 3.91Å; V365-Y369 WeakPolarHBondContact O-CD2 3.11Å; V365-Y369 PolarHBondContact O-N 3.1Å; S366-Y369 PolarHBondContact O-N 3.39Å; S366-Y369 VanDerWaalsContact O-N 3.14Å; T367-Y369 PolarHBondContact O-N 3.16Å; Y369-R372 WeakPolarHBondContact O-CB 3.46Å; Y369-R372 PolarHBondContact O-N 2.61Å; Y369-L373 PolarHBondContact O-N 2.82Å; Y369-T406 HydrophobicContact CD2-CG2 4.34Å; Y369-T406 HydrophobicContact CE2-CG2 4.21Å; Y369-I473 HydrophobicContact CD1-CG2 3.94Å; Y369-I473 HydrophobicContact CE1-CD1 3.78Å; Y369-I473 HydrophobicContact CE1-CG1 4.18Å; Y369-I473 HydrophobicContact CE1-CG2 4.22Å; Y369-Y601 HydrophobicContact CE1-CD1 4.27Å; Y369-L605 HydrophobicContact CD2-CD1 4.41Å; Y369-L605 HydrophobicContact CD2-CD2 3.82Å; Y369-L605 HydrophobicContact CD2-CG 4.43Å; Y369-L605 HydrophobicContact CE2-CD2 4.08Å; Y369-L605 HydrophobicContact CE2-CG 4.36Å
370	L	97.2	Very high	95	Very high	29 Å²	29	32.6 Å²	32.6	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-37.1	176.2	-67.5	-179.7	0	0	0	112.3	A327 V328 F331 S366 T367 R372 L373 I374	A327-L370 HydrophobicContact CB-CD2 4.07Å; A327-L370 HydrophobicContact CB-CG 4.48Å; V328-L370 HydrophobicContact CG2-CD2 3.7Å; F331-L370 HydrophobicContact CB-CD1 3.84Å; F331-L370 HydrophobicContact CD1-CD1 4.14Å; F331-L370 HydrophobicContact CD2-CD1 3.62Å; F331-L370 HydrophobicContact CE2-CD1 4.18Å; F331-L370 HydrophobicContact CG-CD1 3.6Å; S366-L370 WeakPolarHBondContact O-CG 3.48Å; S366-L370 PolarHBondContact O-N 3.23Å; T367-L370 PolarHBondContact O-N 2.92Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 3.37Å; L370-L373 HydrophobicContact CD2-CD1 3.77Å; L370-L373 WeakPolarHBondContact O-CB 3.4Å; L370-L373 PolarHBondContact O-N 2.84Å; L370-I374 WeakPolarHBondContact O-CG1 3.2Å; L370-I374 PolarHBondContact O-N 2.81Å
371	I	95.2	Very high	94.8	Very high	38 Å²	38	30.3 Å²	30.3	20%	0.195	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-41.6	173.2	-71.8	165.5	0	0	0	110.7	T367 L373 I374 V375 V398 I401 V402 L405	T367-I371 HydrophobicContact CG2-CD1 4.26Å; T367-I371 WeakPolarHBondContact O-CG1 3.33Å; T367-I371 PolarHBondContact O-N 2.92Å; I371-L373 VanDerWaalsContact C-N 3.29Å; I371-L373 PolarHBondContact O-N 3.45Å; I371-I374 PolarHBondContact O-N 3.39Å; I371-V375 HydrophobicContact CG2-CG2 3.99Å; I371-V375 WeakPolarHBondContact O-CB 3.33Å; I371-V375 WeakPolarHBondContact O-CG2 3.38Å; I371-V375 PolarHBondContact O-N 2.85Å; I371-V398 HydrophobicContact CG2-CG1 4.13Å; I371-I401 HydrophobicContact CD1-CG2 4.39Å; I371-V402 HydrophobicContact CB-CG2 4.1Å; I371-V402 HydrophobicContact CG2-CG2 3.61Å; I371-L405 HydrophobicContact CD1-CD1 3.37Å
372	R	93.8	Very high	94.4	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-31.3	174.8	176.8	-87	162.7	167.8	-3.4	113.6	T320 G368 Y369 L370 G376 H377 S471 G472 I473	T320-R372 PolarHBondContact OG1-NH1 3.41Å; T320-R372 PolarHBondContact OG1-NH2 3.44Å; G368-R372 PolarHBondContact O-N 3.47Å; Y369-R372 WeakPolarHBondContact O-CB 3.46Å; Y369-R372 PolarHBondContact O-N 2.61Å; L370-R372 VanDerWaalsContact C-N 3.27Å; L370-R372 PolarHBondContact O-N 3.37Å; R372-G376 CarbonylContact O-C 3.58Å; R372-G376 WeakPolarHBondContact O-CA 3.32Å; R372-G376 PolarHBondContact O-N 3.4Å; R372-G376 VanDerWaalsContact O-N 3.16Å; R372-H377 PolarHBondContact NH2-CE1 2.95Å; R372-H377 PolarHBondContact NH2-ND1 3.42Å; R372-S471 VanDerWaalsContact CD-O 3.28Å; R372-S471 WeakPolarHBondContact CD-O 3.49Å; R372-S471 VanDerWaalsContact CZ-O 3.23Å; R372-S471 PolarHBondContact NE-O 3.45Å; R372-G472 WeakPolarHBondContact CG-O 3.32Å; R372-I473 HydrophobicContact CB-CG2 3.76Å; R372-I473 HydrophobicContact CG-CG2 3.98Å
373	L	94.1	Very high	93.9	Very high	63 Å²	63	34.5 Å²	34.5	33%	0.33	20%	0.197	S	C	.	.	H	α-helix	trans	-73.9	-38.5	174.2	-56.8	174	0	0	0	112.1	Y369 L370 I371	Y369-L373 PolarHBondContact O-N 2.82Å; L370-L373 HydrophobicContact CD2-CD1 3.77Å; L370-L373 WeakPolarHBondContact O-CB 3.4Å; L370-L373 PolarHBondContact O-N 2.84Å; I371-L373 VanDerWaalsContact C-N 3.29Å; I371-L373 PolarHBondContact O-N 3.45Å
374	I	94.3	Very high	93.2	Very high	144 Å²	144	36.4 Å²	36.4	74%	0.738	22%	0.223	S	C	*	.	H	α-helix	trans	-80.2	-42.5	-174.5	-65.1	164.1	0	0	0	111.6	L370 I371	L370-I374 WeakPolarHBondContact O-CG1 3.2Å; L370-I374 PolarHBondContact O-N 2.81Å; I371-I374 PolarHBondContact O-N 3.39Å
375	V	92.2	Very high	92.5	Very high	70 Å²	70	40.9 Å²	40.9	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-88.6	-21.8	-177.4	-177.8	0	0	0	0	111.8	I371 A379 V380 V398	I371-V375 HydrophobicContact CG2-CG2 3.99Å; I371-V375 WeakPolarHBondContact O-CB 3.33Å; I371-V375 WeakPolarHBondContact O-CG2 3.38Å; I371-V375 PolarHBondContact O-N 2.85Å; V375-A379 HydrophobicContact CG1-CB 3.82Å; V375-V380 HydrophobicContact CB-CG2 4.18Å; V375-V380 HydrophobicContact CG1-CG2 4.2Å; V375-V398 HydrophobicContact CG1-CG1 4.34Å
376	G	91.2	Very high	92	Very high	26 Å²	26	41.4 Å²	41.4	27%	0.268	25%	0.252	S	S	.	.			trans	93.9	157.4	178.9	0	0	0	0	0	113.9	R372 V380	R372-G376 CarbonylContact O-C 3.58Å; R372-G376 WeakPolarHBondContact O-CA 3.32Å; R372-G376 PolarHBondContact O-N 3.4Å; R372-G376 VanDerWaalsContact O-N 3.16Å; G376-V380 WeakPolarHBondContact O-CG2 3.41Å; G376-V380 PolarHBondContact O-N 2.82Å
377	H	91.9	Very high	91.6	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-52.3	-177	-172.6	121.4	0	0	0	111.5	H316 R372 A379 V380 A381 P469 I470 G472	H316-H377 AromaticContact NE2-CD2 3.79Å; H316-H377 AromaticContact NE2-CE1 2.62Å; H316-H377 PolarHBondContact NE2-CE1 3.4Å; H316-H377 AromaticContact NE2-CG 3.25Å; H316-H377 AromaticContact NE2-ND1 2.54Å; H316-H377 PolarHBondContact NE2-ND1 2.86Å; H316-H377 AromaticContact NE2-NE2 3.1Å; H316-H377 PolarHBondContact NE2-NE2 3.07Å; R372-H377 PolarHBondContact NH2-CE1 2.95Å; R372-H377 PolarHBondContact NH2-ND1 3.42Å; H377-A379 PolarHBondContact O-N 3.23Å; H377-V380 PolarHBondContact O-N 2.87Å; H377-A381 PolarHBondContact O-N 3.16Å; H377-P469 PolarHBondContact NE2-O 3.31Å; H377-I470 PolarHBondContact NE2-O 3.22Å; H377-G472 WeakPolarHBondContact ND1-CA 3.4Å; H377-G472 PolarHBondContact NE2-N 3.34Å
378	D	90.2	Very high	91.1	Very high	67 Å²	67	40.8 Å²	40.8	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-69.8	-40.7	-168.7	-39.2	-56.1	0	0	0	111.5	R307 V380 C382	R307-D378 IonicContact CZ-OD1 3.55Å; R307-D378 VanDerWaalsContact CZ-OD1 3.25Å; R307-D378 IonicContact CZ-OD2 2.7Å; R307-D378 IonicContact NE-OD1 3.87Å; R307-D378 PolarHBondContact NE-OD1 3.37Å; R307-D378 IonicContact NH2-OD1 3.42Å; R307-D378 PolarHBondContact NH2-OD1 3.3Å; R307-D378 IonicContact NH2-OD2 2.61Å; R307-D378 PolarHBondContact NH2-OD2 3.08Å; D378-V380 VanDerWaalsContact C-N 3.31Å; D378-V380 PolarHBondContact O-N 3.31Å; D378-C382 HydrophobicContact CB-CB 4.34Å; D378-C382 WeakPolarHBondContact O-CB 3.19Å; D378-C382 PolarHBondContact O-N 3.4Å; D378-C382 VanDerWaalsContact O-N 3.08Å
379	A	90	Very high	90.4	Very high	52 Å²	52	43 Å²	43	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-30.3	177.9	0	0	0	0	0	113.1	V375 H377 R388	V375-A379 HydrophobicContact CG1-CB 3.82Å; H377-A379 PolarHBondContact O-N 3.23Å; A379-R388 PolarHBondContact O-NH1 3.47Å
380	V	91.9	Very high	88.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-83.2	-55.4	176.1	176.3	0	0	0	0	111.9	V375 G376 H377 D378 R388 V398 C399 V402 G472	V375-V380 HydrophobicContact CB-CG2 4.18Å; V375-V380 HydrophobicContact CG1-CG2 4.2Å; G376-V380 WeakPolarHBondContact O-CG2 3.41Å; G376-V380 PolarHBondContact O-N 2.82Å; H377-V380 PolarHBondContact O-N 2.87Å; D378-V380 VanDerWaalsContact C-N 3.31Å; D378-V380 PolarHBondContact O-N 3.31Å; V380-R388 PolarHBondContact O-NH1 2.97Å; V380-V398 HydrophobicContact CG2-CG1 3.96Å; V380-C399 WeakPolarHBondContact O-CB 3.41Å; V380-V402 HydrophobicContact CG1-CB 4.15Å; V380-V402 HydrophobicContact CG1-CG1 4.19Å; V380-V402 HydrophobicContact CG1-CG2 3.97Å; V380-G472 WeakPolarHBondContact CG1-O 3.5Å
381	A	91.5	Very high	86.9	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-111	-3.4	-161.9	0	0	0	0	0	116	H377 R388 G472	H377-A381 PolarHBondContact O-N 3.16Å; A381-R388 PolarHBondContact O-N 3.42Å; A381-G472 WeakPolarHBondContact CB-O 3.32Å
382	C	89.6	Confident	84.7	Confident	5 Å²	5	44 Å²	44	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.5	-173.6	-57.7	0	0	0	0	114	C306 D378 A386 R388	C306-C382 WeakPolarHBondContact CA-SG 3.26Å; C306-C382 HydrophobicContact CB-CB 3.59Å; C306-C382 WeakPolarHBondContact CB-SG 3.36Å; C306-C382 PolarHBondContact O-SG 3.33Å; C306-C382 WeakPolarHBondContact SG-CB 3.39Å; C306-C382 CovalentContact SG-SG 2.02Å; C306-C382 PolarHBondContact SG-SG 3.03Å; D378-C382 HydrophobicContact CB-CB 4.34Å; D378-C382 WeakPolarHBondContact O-CB 3.19Å; D378-C382 PolarHBondContact O-N 3.4Å; D378-C382 VanDerWaalsContact O-N 3.08Å; C382-A386 WeakPolarHBondContact CA-O 3.41Å; C382-R388 PolarHBondContact O-NH1 2.87Å; C382-R388 PolarHBondContact O-NH2 2.98Å
383	D	85.3	Confident	82.8	Confident	96 Å²	96	48.2 Å²	48.2	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	107.3	168.4	-170.6	25.6	0	0	0	109.1	N385 A386 R388	D383-N385 PolarHBondContact O-N 3.34Å; D383-N385 VanDerWaalsContact O-N 3.16Å; D383-A386 PolarHBondContact N-O 3.24Å; D383-A386 PolarHBondContact O-N 3.4Å; D383-R388 HydrophobicContact CB-CB 4.31Å
384	G	84	Confident	80.8	Confident	64 Å²	64	47.6 Å²	47.6	66%	0.66	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	-119.3	-164.4	0	0	0	0	0	112.1
385	N	83.9	Confident	79	Confident	139 Å²	139	42.9 Å²	42.9	74%	0.743	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7.5	178.6	-69.5	-16.8	0	0	0	114	P305 C306 D383	P305-N385 CarbonylContact C-O 3.36Å; P305-N385 WeakPolarHBondContact CA-O 3.46Å; C306-N385 PolarHBondContact N-O 3.47Å; D383-N385 PolarHBondContact O-N 3.34Å; D383-N385 VanDerWaalsContact O-N 3.16Å
386	A	87.2	Confident	78.2	Confident	12 Å²	12	40 Å²	40	10%	0.099	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	167	-179	0	0	0	0	0	111.7	T303 C382 D383	T303-A386 HydrophobicContact CG2-CB 3.84Å; C382-A386 WeakPolarHBondContact CA-O 3.41Å; D383-A386 PolarHBondContact N-O 3.24Å; D383-A386 PolarHBondContact O-N 3.4Å
387	I	88.8	Confident	77.9	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.1	162.3	57.7	167.8	0	0	0	110.7	Y304 P305 G467 P469 T479	Y304-I387 PolarHBondContact O-N 3.25Å; Y304-I387 VanDerWaalsContact O-N 3.07Å; P305-I387 WeakPolarHBondContact O-CG2 3.35Å; I387-G467 WeakPolarHBondContact CD1-O 3.36Å; I387-P469 HydrophobicContact CG2-CB 3.82Å; I387-P469 HydrophobicContact CG2-CG 4.25Å; I387-T479 HydrophobicContact CD1-CG2 3.42Å; I387-T479 VanDerWaalsContact CD1-CG2 3.42Å
388	R	87.2	Confident	77.9	Confident	19 Å²	19	42.3 Å²	42.3	7%	0.072	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-70.2	134	173.7	-179.7	172.4	-73	119.8	4.5	109.9	A379 V380 A381 C382 D383 S395 G467	A379-R388 PolarHBondContact O-NH1 3.47Å; V380-R388 PolarHBondContact O-NH1 2.97Å; A381-R388 PolarHBondContact O-N 3.42Å; C382-R388 PolarHBondContact O-NH1 2.87Å; C382-R388 PolarHBondContact O-NH2 2.98Å; D383-R388 HydrophobicContact CB-CB 4.31Å; R388-S395 PolarHBondContact NE-OG 3.22Å; R388-S395 PolarHBondContact NH2-OG 2.91Å; R388-G467 PolarHBondContact O-N 3.09Å
389	T	81.3	Confident	78	Confident	47 Å²	47	39.1 Å²	39.1	29%	0.288	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-110	171.2	165.3	52.7	0	0	0	0	109.2	S391	T389-S391 PolarHBondContact O-N 3.02Å; T389-S391 PolarHBondContact OG1-OG 3.06Å
390	T	66.6	Low	78.1	Confident	24 Å²	24	37.8 Å²	37.8	15%	0.147	26%	0.257	C	S	.	.	S	Bend	trans	-79.3	26.3	-170.5	-8.5	0	0	0	0	115.1	S463 V465	T390-S463 PolarHBondContact OG1-O 3.41Å; T390-V465 HydrophobicContact CG2-CB 4.05Å; T390-V465 PolarHBondContact N-O 3.06Å; T390-V465 WeakPolarHBondContact OG1-CB 3.47Å; T390-V465 PolarHBondContact OG1-N 2.94Å; T390-V465 VanDerWaalsContact OG1-N 3.15Å; T390-V465 PolarHBondContact OG1-O 3.16Å
391	S	55.3	Low	78.1	Confident	39 Å²	39	42 Å²	42	27%	0.273	28%	0.278	S	S	.	.	S	Bend	trans	-104.5	142.5	-177.7	43.7	0	0	0	0	112.4	T389 D393	T389-S391 PolarHBondContact O-N 3.02Å; T389-S391 PolarHBondContact OG1-OG 3.06Å; S391-D393 PolarHBondContact O-N 2.86Å
392	G	49.4	Very low	78.3	Confident	39 Å²	39	42 Å²	42	40%	0.402	28%	0.278	S	S	.	.	S	Bend	trans	85.4	-92.4	171.1	0	0	0	0	0	115.5
393	D	52.7	Low	78.6	Confident	93 Å²	93	41.7 Å²	41.7	50%	0.497	28%	0.276	S	S	.	.			trans	-95.3	157.5	-143.3	-91.8	16.6	0	0	0	117.2	S391 S395 A396	S391-D393 PolarHBondContact O-N 2.86Å; D393-S395 WeakPolarHBondContact CB-OG 3.3Å; D393-S395 PolarHBondContact O-N 3.49Å; D393-S395 VanDerWaalsContact O-N 3.11Å; D393-A396 WeakPolarHBondContact O-CB 3.41Å; D393-A396 PolarHBondContact O-N 3.49Å
394	G	51.9	Low	79.1	Confident	50 Å²	50	38.3 Å²	38.3	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.7	169.7	0	0	0	0	0	114.3	A396 A397	G394-A396 PolarHBondContact O-N 3.47Å; G394-A397 VanDerWaalsContact O-CB 3.28Å; G394-A397 WeakPolarHBondContact O-CB 3.3Å; G394-A397 PolarHBondContact O-N 3.26Å; G394-A397 VanDerWaalsContact O-N 3.14Å
395	S	57.2	Low	79.7	Confident	45 Å²	45	36.3 Å²	36.3	32%	0.315	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.7	170.7	64.5	0	0	0	0	112.8	R388 D393 A397 V398	R388-S395 PolarHBondContact NE-OG 3.22Å; R388-S395 PolarHBondContact NH2-OG 2.91Å; D393-S395 WeakPolarHBondContact CB-OG 3.3Å; D393-S395 PolarHBondContact O-N 3.49Å; D393-S395 VanDerWaalsContact O-N 3.11Å; S395-A397 PolarHBondContact O-N 2.88Å; S395-V398 PolarHBondContact O-N 3.4Å
396	A	75.1	Confident	80.3	Confident	9 Å²	9	30 Å²	30	7%	0.074	20%	0.198	C	C	.	.	H	α-helix	trans	-67.6	-10.1	175.1	0	0	0	0	0	113.9	D393 G394 C399 T400	D393-A396 WeakPolarHBondContact O-CB 3.41Å; D393-A396 PolarHBondContact O-N 3.49Å; G394-A396 PolarHBondContact O-N 3.47Å; A396-C399 WeakPolarHBondContact O-CB 3.4Å; A396-C399 PolarHBondContact O-N 2.87Å; A396-T400 WeakPolarHBondContact O-CB 3.19Å; A396-T400 PolarHBondContact O-N 2.93Å; A396-T400 PolarHBondContact O-OG1 3.48Å
397	A	85.7	Confident	80.8	Confident	36 Å²	36	30 Å²	30	30%	0.298	20%	0.196	S	C	.	.	H	α-helix	trans	-61.2	-44.8	175.1	0	0	0	0	0	112.1	G394 S395 T400 I401	G394-A397 VanDerWaalsContact O-CB 3.28Å; G394-A397 WeakPolarHBondContact O-CB 3.3Å; G394-A397 PolarHBondContact O-N 3.26Å; G394-A397 VanDerWaalsContact O-N 3.14Å; S395-A397 PolarHBondContact O-N 2.88Å; A397-T400 PolarHBondContact O-N 2.94Å; A397-I401 WeakPolarHBondContact O-CD1 3.33Å; A397-I401 VanDerWaalsContact O-CG1 3.27Å; A397-I401 WeakPolarHBondContact O-CG1 3.33Å; A397-I401 PolarHBondContact O-N 3.39Å
398	V	90.6	Very high	81.3	Confident	47 Å²	47	30.7 Å²	30.7	29%	0.285	20%	0.199	S	C	.	.	H	α-helix	trans	-69.2	-42.8	179.4	-170.9	0	0	0	0	110.8	I371 V375 V380 S395 T400 I401 V402	I371-V398 HydrophobicContact CG2-CG1 4.13Å; V375-V398 HydrophobicContact CG1-CG1 4.34Å; V380-V398 HydrophobicContact CG2-CG1 3.96Å; S395-V398 PolarHBondContact O-N 3.4Å; V398-T400 VanDerWaalsContact C-N 3.33Å; V398-T400 PolarHBondContact O-N 3.16Å; V398-I401 PolarHBondContact O-N 2.66Å; V398-V402 HydrophobicContact CG1-CG2 4.5Å; V398-V402 WeakPolarHBondContact O-CG2 3.42Å; V398-V402 PolarHBondContact O-N 3.38Å
399	C	92.5	Very high	81.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-52.5	-49.9	171.4	177.7	0	0	0	0	111.5	V380 A396 I401 V402 F403 C474	V380-C399 WeakPolarHBondContact O-CB 3.41Å; A396-C399 WeakPolarHBondContact O-CB 3.4Å; A396-C399 PolarHBondContact O-N 2.87Å; C399-I401 PolarHBondContact O-N 2.95Å; C399-V402 PolarHBondContact O-N 2.86Å; C399-F403 WeakPolarHBondContact O-CB 3.3Å; C399-F403 PolarHBondContact O-N 3.42Å; C399-C474 VanDerWaalsContact CA-SG 3.5Å; C399-C474 HydrophobicContact CB-CB 4.07Å; C399-C474 WeakPolarHBondContact CB-SG 3.26Å; C399-C474 WeakPolarHBondContact O-CB 3.31Å; C399-C474 WeakPolarHBondContact SG-CB 3.43Å; C399-C474 CovalentContact SG-SG 2.03Å; C399-C474 PolarHBondContact SG-SG 3.05Å
400	T	92.3	Very high	82.5	Confident	23 Å²	23	30.2 Å²	30.2	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-41.7	178.7	-55.9	0	0	0	0	112.1	A396 A397 V398 F403 L404 L460	A396-T400 WeakPolarHBondContact O-CB 3.19Å; A396-T400 PolarHBondContact O-N 2.93Å; A396-T400 PolarHBondContact O-OG1 3.48Å; A397-T400 PolarHBondContact O-N 2.94Å; V398-T400 VanDerWaalsContact C-N 3.33Å; V398-T400 PolarHBondContact O-N 3.16Å; T400-F403 PolarHBondContact O-N 2.9Å; T400-L404 HydrophobicContact CG2-CD1 4.24Å; T400-L404 HydrophobicContact CG2-CG 4.46Å; T400-L404 WeakPolarHBondContact O-CB 3.38Å; T400-L404 VanDerWaalsContact O-CG 3.26Å; T400-L404 WeakPolarHBondContact O-CG 3.35Å; T400-L404 PolarHBondContact O-N 3.35Å; T400-L460 HydrophobicContact CG2-CD2 4.12Å
401	I	93.1	Very high	84	Confident	88 Å²	88	29.3 Å²	29.3	45%	0.451	19%	0.192	S	C	.	.	H	α-helix	trans	-62.1	-44.2	176	-71.4	163.1	0	0	0	111.1	I371 A397 V398 C399 L404 L405	I371-I401 HydrophobicContact CD1-CG2 4.39Å; A397-I401 WeakPolarHBondContact O-CD1 3.33Å; A397-I401 VanDerWaalsContact O-CG1 3.27Å; A397-I401 WeakPolarHBondContact O-CG1 3.33Å; A397-I401 PolarHBondContact O-N 3.39Å; V398-I401 PolarHBondContact O-N 2.66Å; C399-I401 PolarHBondContact O-N 2.95Å; I401-L404 PolarHBondContact O-N 3.5Å; I401-L405 HydrophobicContact CG2-CD1 3.83Å; I401-L405 HydrophobicContact CG2-CG 4.46Å; I401-L405 WeakPolarHBondContact O-CB 3.45Å; I401-L405 VanDerWaalsContact O-CG 3.27Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.25Å
402	V	94.9	Very high	86.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-40.3	177.7	170.1	0	0	0	0	111.6	I371 V380 V398 C399 L405 T406 I473	I371-V402 HydrophobicContact CB-CG2 4.1Å; I371-V402 HydrophobicContact CG2-CG2 3.61Å; V380-V402 HydrophobicContact CG1-CB 4.15Å; V380-V402 HydrophobicContact CG1-CG1 4.19Å; V380-V402 HydrophobicContact CG1-CG2 3.97Å; V398-V402 HydrophobicContact CG1-CG2 4.5Å; V398-V402 WeakPolarHBondContact O-CG2 3.42Å; V398-V402 PolarHBondContact O-N 3.38Å; C399-V402 PolarHBondContact O-N 2.86Å; V402-L405 PolarHBondContact O-N 2.79Å; V402-T406 WeakPolarHBondContact O-CB 3.34Å; V402-T406 WeakPolarHBondContact O-CG2 3.38Å; V402-T406 PolarHBondContact O-N 2.81Å; V402-T406 PolarHBondContact O-OG1 3.24Å; V402-I473 HydrophobicContact CG1-CB 3.55Å; V402-I473 HydrophobicContact CG1-CG2 3.63Å
403	F	95.7	Very high	88.3	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-48.4	171.4	162	-102.3	0	0	0	111.6	C399 T400 L405 T406 Y407 T456 I459 L460 V465 C474 V476	C399-F403 WeakPolarHBondContact O-CB 3.3Å; C399-F403 PolarHBondContact O-N 3.42Å; T400-F403 PolarHBondContact O-N 2.9Å; F403-L405 VanDerWaalsContact C-N 3.35Å; F403-L405 PolarHBondContact O-N 3.49Å; F403-T406 PolarHBondContact O-N 3.39Å; F403-T406 PolarHBondContact O-OG1 2.97Å; F403-Y407 HydrophobicContact CD2-CG 4.42Å; F403-Y407 HydrophobicContact CE2-CD1 4.03Å; F403-Y407 HydrophobicContact CE2-CD2 4.25Å; F403-Y407 AromaticContact CE2-CG 3.66Å; F403-Y407 HydrophobicContact CE2-CG 3.66Å; F403-Y407 AromaticContact CZ-CD1 3.96Å; F403-Y407 HydrophobicContact CZ-CD1 3.96Å; F403-Y407 HydrophobicContact CZ-CG 4.08Å; F403-Y407 VanDerWaalsContact O-CB 3.26Å; F403-Y407 WeakPolarHBondContact O-CB 3.34Å; F403-Y407 PolarHBondContact O-N 2.82Å; F403-T456 HydrophobicContact CE1-CG2 3.9Å; F403-T456 HydrophobicContact CZ-CG2 4.3Å; F403-I459 HydrophobicContact CE1-CG2 4.46Å; F403-I459 HydrophobicContact CE2-CD1 4.35Å; F403-I459 HydrophobicContact CE2-CG2 3.99Å; F403-I459 HydrophobicContact CZ-CB 4.03Å; F403-I459 HydrophobicContact CZ-CD1 3.99Å; F403-I459 HydrophobicContact CZ-CG2 3.62Å; F403-L460 HydrophobicContact CD1-CD2 4.19Å; F403-L460 HydrophobicContact CE1-CD2 3.94Å; F403-L460 HydrophobicContact CE1-CG 4.05Å; F403-V465 HydrophobicContact CB-CG1 3.71Å; F403-V465 HydrophobicContact CD1-CG1 4.29Å; F403-V465 HydrophobicContact CD1-CG2 3.7Å; F403-V465 HydrophobicContact CD2-CG1 3.99Å; F403-V465 HydrophobicContact CD2-CG2 3.93Å; F403-V465 HydrophobicContact CE1-CG2 3.73Å; F403-V465 HydrophobicContact CE2-CG2 3.96Å; F403-V465 HydrophobicContact CG-CB 4.45Å; F403-V465 HydrophobicContact CG-CG1 3.72Å; F403-V465 HydrophobicContact CG-CG2 3.81Å; F403-V465 HydrophobicContact CZ-CG2 3.87Å; F403-C474 WeakPolarHBondContact CA-O 3.27Å; F403-C474 HydrophobicContact CB-CB 4.27Å; F403-V476 HydrophobicContact CE2-CB 4.29Å; F403-V476 HydrophobicContact CE2-CG1 4.21Å
404	L	95.9	Very high	90.4	Very high	25 Å²	25	21.6 Å²	21.6	13%	0.131	14%	0.139	C	C	.	.	I	π-helix	trans	-60.3	-43.5	177.3	-72	173.4	0	0	0	111.7	V83 T400 I401 F408 T456 L460	V83-L404 HydrophobicContact CG1-CD2 4.38Å; T400-L404 HydrophobicContact CG2-CD1 4.24Å; T400-L404 HydrophobicContact CG2-CG 4.46Å; T400-L404 WeakPolarHBondContact O-CB 3.38Å; T400-L404 VanDerWaalsContact O-CG 3.26Å; T400-L404 WeakPolarHBondContact O-CG 3.35Å; T400-L404 PolarHBondContact O-N 3.35Å; I401-L404 PolarHBondContact O-N 3.5Å; L404-F408 VanDerWaalsContact O-CB 3.31Å; L404-F408 WeakPolarHBondContact O-CB 3.41Å; L404-F408 PolarHBondContact O-N 3.38Å; L404-T456 HydrophobicContact CD2-CG2 3.4Å; L404-L460 HydrophobicContact CD2-CD1 4.4Å
405	L	96.9	Very high	92.6	Very high	21 Å²	21	19.6 Å²	19.6	11%	0.11	12%	0.116	C	C	.	.	I	π-helix	trans	-66.6	-36.4	179.8	-74.7	169.8	0	0	0	113.2	M364 V365 T367 I371 I401 V402 F403 F409	M364-L405 CarbonylContact C-O 3.16Å; M364-L405 HydrophobicContact CB-CD2 4.15Å; M364-L405 HydrophobicContact CE-CD2 3.55Å; V365-L405 WeakPolarHBondContact CA-O 3.4Å; V365-L405 PolarHBondContact N-O 2.99Å; T367-L405 HydrophobicContact CG2-CD1 4.37Å; I371-L405 HydrophobicContact CD1-CD1 3.37Å; I401-L405 HydrophobicContact CG2-CD1 3.83Å; I401-L405 HydrophobicContact CG2-CG 4.46Å; I401-L405 WeakPolarHBondContact O-CB 3.45Å; I401-L405 VanDerWaalsContact O-CG 3.27Å; I401-L405 WeakPolarHBondContact O-CG 3.4Å; I401-L405 PolarHBondContact O-N 3.25Å; V402-L405 PolarHBondContact O-N 2.79Å; F403-L405 VanDerWaalsContact C-N 3.35Å; F403-L405 PolarHBondContact O-N 3.49Å; L405-F409 HydrophobicContact CD2-CE2 4.42Å; L405-F409 WeakPolarHBondContact O-CD2 3.15Å
406	T	97.2	Very high	94.5	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.037	10%	0.101	C	C	.	.	I	π-helix	trans	-89.4	-50.4	-177.1	56.4	0	0	0	0	112.6	Y369 V402 F403 S410 I473	Y369-T406 HydrophobicContact CD2-CG2 4.34Å; Y369-T406 HydrophobicContact CE2-CG2 4.21Å; V402-T406 WeakPolarHBondContact O-CB 3.34Å; V402-T406 WeakPolarHBondContact O-CG2 3.38Å; V402-T406 PolarHBondContact O-N 2.81Å; V402-T406 PolarHBondContact O-OG1 3.24Å; F403-T406 PolarHBondContact O-N 3.39Å; F403-T406 PolarHBondContact O-OG1 2.97Å; T406-S410 WeakPolarHBondContact O-CB 3.39Å; T406-S410 PolarHBondContact O-N 2.92Å; T406-S410 PolarHBondContact O-OG 2.68Å; T406-I473 HydrophobicContact CG2-CD1 3.97Å
407	Y	97.7	Very high	95.6	Very high	12 Å²	12	17.1 Å²	17.1	5%	0.047	10%	0.098	C	C	.	.	I	π-helix	trans	-72.2	-56.9	-175.1	179.9	-91.9	0	0	0	113.1	F403 F409 S410 M411 K455 I459 V476 F487 V488	F403-Y407 HydrophobicContact CD2-CG 4.42Å; F403-Y407 HydrophobicContact CE2-CD1 4.03Å; F403-Y407 HydrophobicContact CE2-CD2 4.25Å; F403-Y407 AromaticContact CE2-CG 3.66Å; F403-Y407 HydrophobicContact CE2-CG 3.66Å; F403-Y407 AromaticContact CZ-CD1 3.96Å; F403-Y407 HydrophobicContact CZ-CD1 3.96Å; F403-Y407 HydrophobicContact CZ-CG 4.08Å; F403-Y407 VanDerWaalsContact O-CB 3.26Å; F403-Y407 WeakPolarHBondContact O-CB 3.34Å; F403-Y407 PolarHBondContact O-N 2.82Å; Y407-F409 VanDerWaalsContact C-N 3.31Å; Y407-F409 PolarHBondContact O-N 3.14Å; Y407-S410 PolarHBondContact O-N 2.87Å; Y407-M411 HydrophobicContact CD1-CG 4.4Å; Y407-M411 HydrophobicContact CD2-CG 4.5Å; Y407-M411 HydrophobicContact CE1-CG 3.85Å; Y407-M411 HydrophobicContact CE2-CE 3.76Å; Y407-M411 HydrophobicContact CE2-CG 3.98Å; Y407-M411 PolarHBondContact O-N 3.5Å; Y407-K455 HydrophobicContact CE1-CB 4.14Å; Y407-I459 HydrophobicContact CD1-CD1 3.95Å; Y407-I459 HydrophobicContact CD2-CD1 4.42Å; Y407-I459 HydrophobicContact CE1-CD1 3.37Å; Y407-I459 HydrophobicContact CE2-CD1 3.88Å; Y407-I459 HydrophobicContact CG-CD1 4.46Å; Y407-V476 HydrophobicContact CD2-CG1 3.59Å; Y407-V476 HydrophobicContact CE2-CG1 3.61Å; Y407-V476 HydrophobicContact CG-CG1 4.46Å; Y407-F487 WeakPolarHBondContact CE2-O 3.29Å; Y407-F487 PolarHBondContact OH-O 2.02Å; Y407-V488 HydrophobicContact CE2-CG2 4.29Å
408	F	97.5	Very high	96.1	Very high	22 Å²	22	16 Å²	16	10%	0.096	9%	0.088	C	C	.	.	I	π-helix	trans	-59	-45	-174	172.6	-85.7	0	0	0	110.9	L404 M411 A412 W449 P452 S453	L404-F408 VanDerWaalsContact O-CB 3.31Å; L404-F408 WeakPolarHBondContact O-CB 3.41Å; L404-F408 PolarHBondContact O-N 3.38Å; F408-M411 PolarHBondContact O-N 3.17Å; F408-A412 WeakPolarHBondContact O-CB 3.36Å; F408-A412 PolarHBondContact O-N 3.48Å; F408-W449 AromaticContact CE1-CE3 3.97Å; F408-W449 HydrophobicContact CE1-CE3 3.97Å; F408-W449 HydrophobicContact CE1-CZ3 4.19Å; F408-W449 HydrophobicContact CZ-CE3 4.07Å; F408-P452 HydrophobicContact CD2-CB 3.76Å; F408-P452 HydrophobicContact CE2-CB 3.87Å; F408-P452 HydrophobicContact CG-CB 4.24Å; F408-P452 HydrophobicContact CZ-CB 4.43Å; F408-S453 WeakPolarHBondContact CE2-OG 3.37Å
409	F	98.1	Very high	96.5	Very high	23 Å²	23	14.2 Å²	14.2	10%	0.101	8%	0.077	C	C	.	.	H	α-helix	trans	-76.2	-28.2	-178	-65.8	-77.5	0	0	0	113.4	F360 C361 M364 V365 L405 Y407 A412 S413 W449	F360-F409 HydrophobicContact CE1-CD1 4.37Å; F360-F409 AromaticContact CE1-CE1 3.89Å; F360-F409 HydrophobicContact CE1-CE1 3.89Å; C361-F409 HydrophobicContact CB-CB 4.17Å; C361-F409 WeakPolarHBondContact CB-O 3.2Å; M364-F409 HydrophobicContact CB-CB 4.05Å; M364-F409 HydrophobicContact CB-CD1 3.94Å; M364-F409 HydrophobicContact CB-CD2 3.43Å; M364-F409 VanDerWaalsContact CB-CD2 3.43Å; M364-F409 HydrophobicContact CB-CE1 4.26Å; M364-F409 HydrophobicContact CB-CE2 3.78Å; M364-F409 HydrophobicContact CB-CG 3.51Å; M364-F409 HydrophobicContact CB-CZ 4.19Å; M364-F409 HydrophobicContact CG-CD1 3.83Å; M364-F409 HydrophobicContact CG-CD2 4.03Å; M364-F409 HydrophobicContact CG-CE1 3.8Å; M364-F409 HydrophobicContact CG-CE2 3.97Å; M364-F409 HydrophobicContact CG-CG 3.96Å; M364-F409 HydrophobicContact CG-CZ 3.86Å; V365-F409 HydrophobicContact CG2-CB 3.79Å; L405-F409 HydrophobicContact CD2-CE2 4.42Å; L405-F409 WeakPolarHBondContact O-CD2 3.15Å; Y407-F409 VanDerWaalsContact C-N 3.31Å; Y407-F409 PolarHBondContact O-N 3.14Å; F409-A412 PolarHBondContact O-N 2.76Å; F409-S413 WeakPolarHBondContact O-CB 3.43Å; F409-S413 PolarHBondContact O-N 2.86Å; F409-S413 PolarHBondContact O-OG 3.31Å; F409-W449 HydrophobicContact CD1-CZ3 4.48Å; F409-W449 HydrophobicContact CE1-CZ3 4.43Å
410	S	97.4	Very high	96.6	Very high	33 Å²	33	14.2 Å²	14.2	23%	0.231	8%	0.077	C	C	.	.	H	α-helix	trans	-70.6	-34	170.1	-60	0	0	0	0	112.7	V365 T406 Y407 S413 S414	V365-S410 WeakPolarHBondContact CG2-OG 3.4Å; T406-S410 WeakPolarHBondContact O-CB 3.39Å; T406-S410 PolarHBondContact O-N 2.92Å; T406-S410 PolarHBondContact O-OG 2.68Å; Y407-S410 PolarHBondContact O-N 2.87Å; S410-S413 PolarHBondContact O-OG 2.93Å; S410-S414 PolarHBondContact O-N 3.42Å; S410-S414 PolarHBondContact O-OG 2.96Å
411	M	97.7	Very high	96.8	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.025	7%	0.07	C	C	.	.	H	α-helix	trans	-69.6	-39	170.5	-72.8	-68.7	154	0	0	111.2	Y407 F408 S414 V415 P452 K455 F487 P491 L492 Y495	Y407-M411 HydrophobicContact CD1-CG 4.4Å; Y407-M411 HydrophobicContact CD2-CG 4.5Å; Y407-M411 HydrophobicContact CE1-CG 3.85Å; Y407-M411 HydrophobicContact CE2-CE 3.76Å; Y407-M411 HydrophobicContact CE2-CG 3.98Å; Y407-M411 PolarHBondContact O-N 3.5Å; F408-M411 PolarHBondContact O-N 3.17Å; M411-S414 PolarHBondContact O-N 3.47Å; M411-V415 PolarHBondContact O-N 3.45Å; M411-P452 HydrophobicContact CB-CB 3.9Å; M411-P452 HydrophobicContact CB-CG 4Å; M411-K455 HydrophobicContact SD-CD 4.48Å; M411-F487 WeakPolarHBondContact CE-O 3.49Å; M411-P491 HydrophobicContact CE-CB 4.06Å; M411-P491 HydrophobicContact SD-CB 3.85Å; M411-L492 HydrophobicContact CE-CD2 4.22Å; M411-L492 HydrophobicContact CE-CG 4.1Å; M411-Y495 HydrophobicContact SD-CE2 4.15Å
412	A	97.9	Very high	96.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-67.1	-42.6	175.8	0	0	0	0	0	112.6	F408 F409 S414 V415 W416 W449 P452	F408-A412 WeakPolarHBondContact O-CB 3.36Å; F408-A412 PolarHBondContact O-N 3.48Å; F409-A412 PolarHBondContact O-N 2.76Å; A412-S414 VanDerWaalsContact C-N 3.26Å; A412-S414 PolarHBondContact O-N 3.11Å; A412-V415 PolarHBondContact O-N 3.28Å; A412-W416 WeakPolarHBondContact O-CB 3.38Å; A412-W416 PolarHBondContact O-N 3.43Å; A412-W449 HydrophobicContact CB-CE3 3.98Å; A412-W449 HydrophobicContact CB-CZ3 3.61Å; A412-P452 HydrophobicContact CB-CB 4.5Å; A412-P452 HydrophobicContact CB-CG 3.89Å
413	S	97	Very high	96.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.6	-38.5	176.5	67.8	0	0	0	0	111.5	Y362 F409 S410 W416 W417	Y362-S413 PolarHBondContact OH-OG 3.31Å; F409-S413 WeakPolarHBondContact O-CB 3.43Å; F409-S413 PolarHBondContact O-N 2.86Å; F409-S413 PolarHBondContact O-OG 3.31Å; S410-S413 PolarHBondContact O-OG 2.93Å; S413-W416 PolarHBondContact O-N 3.12Å; S413-W417 PolarHBondContact O-N 2.95Å
414	S	97.2	Very high	96.8	Very high	8 Å²	8	11.3 Å²	11.3	6%	0.056	6%	0.06	C	C	.	.	H	α-helix	trans	-62.7	-42.4	175.5	-60.2	0	0	0	0	112.5	S410 M411 A412 W417 V418 L492 Y543	S410-S414 PolarHBondContact O-N 3.42Å; S410-S414 PolarHBondContact O-OG 2.96Å; M411-S414 PolarHBondContact O-N 3.47Å; A412-S414 VanDerWaalsContact C-N 3.26Å; A412-S414 PolarHBondContact O-N 3.11Å; S414-W417 PolarHBondContact O-N 3.49Å; S414-V418 PolarHBondContact O-N 2.98Å; S414-V418 VanDerWaalsContact O-N 3.17Å; S414-L492 WeakPolarHBondContact OG-CD2 3.05Å; S414-Y543 WeakPolarHBondContact CA-OH 3.31Å; S414-Y543 PolarHBondContact OG-OH 3.02Å
415	V	97.6	Very high	96.7	Very high	8 Å²	8	11.9 Å²	11.9	5%	0.048	6%	0.062	C	C	.	.	H	α-helix	trans	-70.9	-36.9	173.7	-173.8	0	0	0	0	111.5	M411 A412 W417 V418 V419 A448 L451 Y495	M411-V415 PolarHBondContact O-N 3.45Å; A412-V415 PolarHBondContact O-N 3.28Å; V415-W417 VanDerWaalsContact C-N 3.3Å; V415-W417 PolarHBondContact O-N 3Å; V415-V418 PolarHBondContact O-N 3.05Å; V415-V418 VanDerWaalsContact O-N 3.15Å; V415-V419 WeakPolarHBondContact O-CG2 3.01Å; V415-V419 PolarHBondContact O-N 2.84Å; V415-A448 HydrophobicContact CB-CB 4.45Å; V415-A448 HydrophobicContact CG1-CB 4.07Å; V415-L451 HydrophobicContact CG2-CD1 4.45Å; V415-Y495 HydrophobicContact CG2-CD1 4.27Å; V415-Y495 HydrophobicContact CG2-CD2 4.48Å; V415-Y495 HydrophobicContact CG2-CE1 3.63Å; V415-Y495 HydrophobicContact CG2-CE2 3.87Å; V415-Y495 WeakPolarHBondContact CG2-OH 3.32Å
416	W	97.5	Very high	96.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-32.8	174.7	-81.1	118.7	0	0	0	113.1	P354 F357 L358 A412 S413 V419 L420 F444 H445 A448 W449	P354-W416 HydrophobicContact CB-CE3 4.06Å; F357-W416 HydrophobicContact CB-CD2 3.65Å; F357-W416 HydrophobicContact CB-CE3 4.15Å; F357-W416 HydrophobicContact CB-CG 3.95Å; F357-W416 HydrophobicContact CB-CH2 4.5Å; F357-W416 HydrophobicContact CB-CZ2 4.03Å; F357-W416 HydrophobicContact CD2-CD2 4.19Å; F357-W416 AromaticContact CD2-CE3 3.92Å; F357-W416 HydrophobicContact CD2-CE3 3.92Å; F357-W416 AromaticContact CD2-CH2 3.42Å; F357-W416 HydrophobicContact CD2-CH2 3.42Å; F357-W416 VanDerWaalsContact CD2-CH2 3.42Å; F357-W416 AromaticContact CD2-CZ2 3.7Å; F357-W416 HydrophobicContact CD2-CZ2 3.7Å; F357-W416 AromaticContact CD2-CZ3 3.54Å; F357-W416 HydrophobicContact CD2-CZ3 3.54Å; F357-W416 AromaticContact CE2-CH2 3.86Å; F357-W416 HydrophobicContact CE2-CH2 3.86Å; F357-W416 HydrophobicContact CE2-CZ2 4.36Å; F357-W416 HydrophobicContact CE2-CZ3 4.17Å; F357-W416 HydrophobicContact CG-CD2 4.34Å; F357-W416 HydrophobicContact CG-CH2 4.18Å; F357-W416 AromaticContact CG-CZ2 3.98Å; F357-W416 HydrophobicContact CG-CZ2 3.98Å; F357-W416 HydrophobicContact CG-CZ3 4.44Å; L358-W416 HydrophobicContact CB-CB 4.3Å; A412-W416 WeakPolarHBondContact O-CB 3.38Å; A412-W416 PolarHBondContact O-N 3.43Å; S413-W416 PolarHBondContact O-N 3.12Å; W416-V419 HydrophobicContact CE3-CB 4.09Å; W416-V419 HydrophobicContact CE3-CG1 4.05Å; W416-V419 HydrophobicContact CE3-CG2 4.42Å; W416-V419 HydrophobicContact CZ3-CB 4.45Å; W416-V419 HydrophobicContact CZ3-CG1 3.99Å; W416-V419 PolarHBondContact O-N 3.42Å; W416-L420 PolarHBondContact O-N 3.01Å; W416-F444 HydrophobicContact CZ3-CB 4.48Å; W416-H445 AromaticContact CH2-CD2 3.7Å; W416-H445 AromaticContact CH2-CE1 3.91Å; W416-H445 AromaticContact CH2-CG 3.89Å; W416-H445 AromaticContact CH2-NE2 3.72Å; W416-A448 HydrophobicContact CD2-CB 3.86Å; W416-A448 VanDerWaalsContact CE2-CB 3.45Å; W416-A448 HydrophobicContact CE3-CB 4.35Å; W416-A448 HydrophobicContact CG-CB 4.34Å; W416-A448 HydrophobicContact CH2-CB 4.15Å; W416-A448 HydrophobicContact CZ2-CB 3.62Å; W416-A448 HydrophobicContact CZ3-CB 4.48Å; W416-W449 AromaticContact CE2-CZ2 3.73Å; W416-W449 AromaticContact CZ2-CE2 3.84Å; W416-W449 AromaticContact CZ2-CZ2 3.74Å; W416-W449 HydrophobicContact CZ2-CZ2 3.74Å; W416-W449 AromaticContact CZ2-NE1 3.74Å; W416-W449 AromaticContact NE1-CE2 3.72Å; W416-W449 AromaticContact NE1-CH2 3.27Å; W416-W449 VanDerWaalsContact NE1-CH2 3.27Å; W416-W449 AromaticContact NE1-CZ2 3.16Å; W416-W449 AromaticContact NE1-CZ3 3.89Å
417	W	97.2	Very high	96.2	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.008	6%	0.061	C	C	.	.	H	α-helix	trans	-69.1	-39.1	170.3	173.3	79	0	0	0	112.5	L358 S413 S414 V415 V419 L420 A421 Y495 L496 V500 L503 S540 Y543 T544	L358-W417 HydrophobicContact CD1-CB 3.99Å; S413-W417 PolarHBondContact O-N 2.95Å; S414-W417 PolarHBondContact O-N 3.49Å; V415-W417 VanDerWaalsContact C-N 3.3Å; V415-W417 PolarHBondContact O-N 3Å; W417-V419 VanDerWaalsContact C-N 3.32Å; W417-V419 PolarHBondContact O-N 3.06Å; W417-L420 WeakPolarHBondContact O-CB 3.37Å; W417-L420 PolarHBondContact O-N 3.4Å; W417-L420 VanDerWaalsContact O-N 3.13Å; W417-A421 PolarHBondContact O-N 2.95Å; W417-Y495 WeakPolarHBondContact CZ3-O 3.48Å; W417-L496 HydrophobicContact CH2-CD1 4.09Å; W417-L496 HydrophobicContact CZ3-CD1 4.47Å; W417-V500 HydrophobicContact CH2-CG2 4.29Å; W417-L503 HydrophobicContact CZ2-CD1 3.72Å; W417-S540 PolarHBondContact NE1-O 3.14Å; W417-Y543 HydrophobicContact CB-CD1 4.09Å; W417-Y543 HydrophobicContact CB-CD2 4.22Å; W417-Y543 HydrophobicContact CB-CE1 3.85Å; W417-Y543 HydrophobicContact CB-CE2 3.97Å; W417-Y543 HydrophobicContact CB-CG 4.3Å; W417-Y543 AromaticContact CD1-CD1 3.4Å; W417-Y543 VanDerWaalsContact CD1-CD1 3.4Å; W417-Y543 AromaticContact CD1-CD2 3.86Å; W417-Y543 AromaticContact CD1-CG 3.31Å; W417-Y543 AromaticContact CD2-CD1 3.41Å; W417-Y543 HydrophobicContact CD2-CD1 3.41Å; W417-Y543 VanDerWaalsContact CD2-CD1 3.41Å; W417-Y543 AromaticContact CD2-CE1 3.6Å; W417-Y543 HydrophobicContact CD2-CE1 3.6Å; W417-Y543 HydrophobicContact CD2-CG 4.16Å; W417-Y543 AromaticContact CE2-CD1 3.53Å; W417-Y543 HydrophobicContact CE3-CD1 4.1Å; W417-Y543 AromaticContact CE3-CE1 3.92Å; W417-Y543 HydrophobicContact CE3-CE1 3.92Å; W417-Y543 AromaticContact CG-CD1 3.35Å; W417-Y543 HydrophobicContact CG-CD1 3.35Å; W417-Y543 HydrophobicContact CG-CD2 4.06Å; W417-Y543 AromaticContact CG-CE1 3.55Å; W417-Y543 HydrophobicContact CG-CE1 3.55Å; W417-Y543 HydrophobicContact CG-CE2 4.21Å; W417-Y543 AromaticContact CG-CG 3.66Å; W417-Y543 HydrophobicContact CG-CG 3.66Å; W417-Y543 AromaticContact CG-CZ 4Å; W417-Y543 HydrophobicContact CZ2-CD1 4.29Å; W417-Y543 AromaticContact NE1-CD1 3.49Å; W417-Y543 AromaticContact NE1-CG 3.61Å; W417-T544 HydrophobicContact CH2-CG2 4.12Å; W417-T544 HydrophobicContact CZ2-CG2 3.54Å
418	V	97.5	Very high	95.6	Very high	13 Å²	13	11.2 Å²	11.2	8%	0.079	6%	0.06	C	C	.	.	H	α-helix	trans	-61.7	-40.5	171	174.5	0	0	0	0	111.2	S414 V415 L420 A421 L422 Y495 L498 F502	S414-V418 PolarHBondContact O-N 2.98Å; S414-V418 VanDerWaalsContact O-N 3.17Å; V415-V418 PolarHBondContact O-N 3.05Å; V415-V418 VanDerWaalsContact O-N 3.15Å; V418-L420 VanDerWaalsContact C-N 3.32Å; V418-L420 PolarHBondContact O-N 2.99Å; V418-A421 PolarHBondContact O-N 3.4Å; V418-L422 VanDerWaalsContact O-CB 3.32Å; V418-L422 WeakPolarHBondContact O-CB 3.31Å; V418-L422 PolarHBondContact O-N 3.23Å; V418-Y495 VanDerWaalsContact CG2-O 3.3Å; V418-Y495 WeakPolarHBondContact CG2-O 3.29Å; V418-L498 HydrophobicContact CG1-CD2 3.82Å; V418-L498 HydrophobicContact CG1-CG 3.86Å; V418-F502 HydrophobicContact CG1-CD2 4.45Å; V418-F502 HydrophobicContact CG1-CE2 4.31Å
419	V	97	Very high	95	Very high	9 Å²	9	10.9 Å²	10.9	6%	0.055	6%	0.063	C	C	.	.	H	α-helix	trans	-64	-36.7	173.1	172.4	0	0	0	0	111.4	P354 V415 W416 W417 T423 F444	P354-V419 HydrophobicContact CB-CG1 4.38Å; P354-V419 HydrophobicContact CG-CG1 3.9Å; V415-V419 WeakPolarHBondContact O-CG2 3.01Å; V415-V419 PolarHBondContact O-N 2.84Å; W416-V419 HydrophobicContact CE3-CB 4.09Å; W416-V419 HydrophobicContact CE3-CG1 4.05Å; W416-V419 HydrophobicContact CE3-CG2 4.42Å; W416-V419 HydrophobicContact CZ3-CB 4.45Å; W416-V419 HydrophobicContact CZ3-CG1 3.99Å; W416-V419 PolarHBondContact O-N 3.42Å; W417-V419 VanDerWaalsContact C-N 3.32Å; W417-V419 PolarHBondContact O-N 3.06Å; V419-T423 HydrophobicContact CG1-CG2 4.18Å; V419-T423 WeakPolarHBondContact O-CB 3.42Å; V419-T423 WeakPolarHBondContact O-CG2 3.33Å; V419-T423 PolarHBondContact O-N 3.29Å; V419-T423 PolarHBondContact O-OG1 3.45Å; V419-F444 HydrophobicContact CG1-CB 3.9Å; V419-F444 HydrophobicContact CG1-CD1 4.27Å; V419-F444 HydrophobicContact CG1-CD2 4.25Å; V419-F444 HydrophobicContact CG1-CG 3.9Å; V419-F444 HydrophobicContact CG2-CB 4.28Å
420	L	95.3	Very high	94.4	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-50	174	-174.2	62.4	0	0	0	111.3	P351 P354 I355 W416 W417 V418 L422 T423 W424 I536 F539 S540	P351-L420 WeakPolarHBondContact O-CD1 3.48Å; P354-L420 HydrophobicContact CB-CB 3.99Å; P354-L420 HydrophobicContact CB-CD1 4.12Å; P354-L420 HydrophobicContact CG-CD1 4.31Å; I355-L420 HydrophobicContact CD1-CD1 4.25Å; I355-L420 HydrophobicContact CD1-CD2 4.34Å; I355-L420 HydrophobicContact CG1-CD1 3.76Å; I355-L420 HydrophobicContact CG1-CD2 3.7Å; I355-L420 HydrophobicContact CG1-CG 4.41Å; W416-L420 PolarHBondContact O-N 3.01Å; W417-L420 WeakPolarHBondContact O-CB 3.37Å; W417-L420 PolarHBondContact O-N 3.4Å; W417-L420 VanDerWaalsContact O-N 3.13Å; V418-L420 VanDerWaalsContact C-N 3.32Å; V418-L420 PolarHBondContact O-N 2.99Å; L420-L422 PolarHBondContact O-N 3.3Å; L420-T423 PolarHBondContact O-N 3.13Å; L420-T423 PolarHBondContact O-OG1 3.36Å; L420-W424 WeakPolarHBondContact O-CB 3.32Å; L420-W424 PolarHBondContact O-N 3.29Å; L420-I536 HydrophobicContact CD1-CG2 3.93Å; L420-I536 HydrophobicContact CG-CG2 4.41Å; L420-F539 HydrophobicContact CD2-CD1 3.82Å; L420-F539 HydrophobicContact CD2-CE1 3.97Å; L420-S540 WeakPolarHBondContact CD2-OG 3.41Å
421	A	95.9	Very high	93.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-42.6	177.6	0	0	0	0	0	112.2	W417 V418 F425 F502 L503	W417-A421 PolarHBondContact O-N 2.95Å; V418-A421 PolarHBondContact O-N 3.4Å; A421-F425 WeakPolarHBondContact O-CB 3.45Å; A421-F425 PolarHBondContact O-N 3.03Å; A421-F502 HydrophobicContact CB-CB 3.98Å; A421-L503 HydrophobicContact CB-CD2 4.16Å; A421-L503 HydrophobicContact CB-CG 4.02Å
422	L	95.6	Very high	93.5	Very high	39 Å²	39	23.5 Å²	23.5	20%	0.204	12%	0.115	C	C	.	.	H	α-helix	trans	-62.5	-52.9	174.5	171.7	60.5	0	0	0	112	V418 L420 W424 F425 L426 F444 F502	V418-L422 VanDerWaalsContact O-CB 3.32Å; V418-L422 WeakPolarHBondContact O-CB 3.31Å; V418-L422 PolarHBondContact O-N 3.23Å; L420-L422 PolarHBondContact O-N 3.3Å; L422-W424 VanDerWaalsContact C-N 3.29Å; L422-W424 PolarHBondContact O-N 2.94Å; L422-F425 WeakPolarHBondContact O-CB 3.35Å; L422-F425 PolarHBondContact O-N 2.92Å; L422-F425 VanDerWaalsContact O-N 3.12Å; L422-L426 HydrophobicContact CD1-CD1 4.06Å; L422-L426 HydrophobicContact CD1-CD2 4.4Å; L422-L426 HydrophobicContact CD1-CG 4.01Å; L422-L426 HydrophobicContact CG-CD1 4.14Å; L422-L426 HydrophobicContact CG-CG 4.47Å; L422-L426 WeakPolarHBondContact O-CG 3.24Å; L422-L426 PolarHBondContact O-N 3.33Å; L422-F444 HydrophobicContact CD2-CE1 3.98Å; L422-F502 HydrophobicContact CB-CD2 3.97Å; L422-F502 HydrophobicContact CB-CE2 4.05Å; L422-F502 HydrophobicContact CB-CG 4.34Å; L422-F502 HydrophobicContact CD1-CD1 4.14Å; L422-F502 HydrophobicContact CD1-CE1 3.76Å; L422-F502 HydrophobicContact CD1-CE2 4.24Å; L422-F502 HydrophobicContact CD1-CZ 3.83Å
423	T	94.9	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68	-30.7	-177.2	53.7	0	0	0	0	112.3	Y350 V419 L420 A427 I437 F444	Y350-T423 HydrophobicContact CD1-CG2 4.2Å; V419-T423 HydrophobicContact CG1-CG2 4.18Å; V419-T423 WeakPolarHBondContact O-CB 3.42Å; V419-T423 WeakPolarHBondContact O-CG2 3.33Å; V419-T423 PolarHBondContact O-N 3.29Å; V419-T423 PolarHBondContact O-OG1 3.45Å; L420-T423 PolarHBondContact O-N 3.13Å; L420-T423 PolarHBondContact O-OG1 3.36Å; T423-A427 WeakPolarHBondContact O-CB 3.36Å; T423-A427 PolarHBondContact O-N 2.95Å; T423-I437 HydrophobicContact CG2-CG2 3.59Å; T423-F444 HydrophobicContact CG2-CD2 4.2Å; T423-F444 HydrophobicContact CG2-CE1 4.45Å; T423-F444 HydrophobicContact CG2-CE2 3.6Å; T423-F444 HydrophobicContact CG2-CZ 3.75Å
424	W	94	Very high	92.7	Very high	11 Å²	11	28.8 Å²	28.8	4%	0.042	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-47.5	166.9	179.6	79.3	0	0	0	112.1	L420 L422 L426 A427 A428 L503 G506 F507 L510 M533 I536	L420-W424 WeakPolarHBondContact O-CB 3.32Å; L420-W424 PolarHBondContact O-N 3.29Å; L422-W424 VanDerWaalsContact C-N 3.29Å; L422-W424 PolarHBondContact O-N 2.94Å; W424-L426 PolarHBondContact O-N 2.92Å; W424-A427 PolarHBondContact O-N 3.33Å; W424-A428 WeakPolarHBondContact O-CB 3.13Å; W424-A428 PolarHBondContact O-N 2.97Å; W424-L503 HydrophobicContact CE3-CD2 3.88Å; W424-L503 HydrophobicContact CZ3-CD2 3.94Å; W424-L503 WeakPolarHBondContact CZ3-O 3.29Å; W424-G506 VanDerWaalsContact CZ3-CA 3.46Å; W424-F507 HydrophobicContact CH2-CB 4.32Å; W424-L510 HydrophobicContact CH2-CD1 4.05Å; W424-L510 HydrophobicContact CZ2-CD1 3.51Å; W424-M533 PolarHBondContact NE1-O 2.89Å; W424-I536 HydrophobicContact CB-CG2 4.15Å; W424-I536 HydrophobicContact CG-CG2 4.1Å
425	F	93.4	Very high	92.4	Very high	37 Å²	37	34.6 Å²	34.6	16%	0.162	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-44.6	175.1	164	-113.6	0	0	0	112.8	A421 L422 A427 G429 L430 F502 A505	A421-F425 WeakPolarHBondContact O-CB 3.45Å; A421-F425 PolarHBondContact O-N 3.03Å; L422-F425 WeakPolarHBondContact O-CB 3.35Å; L422-F425 PolarHBondContact O-N 2.92Å; L422-F425 VanDerWaalsContact O-N 3.12Å; F425-A427 PolarHBondContact O-N 3.5Å; F425-G429 WeakPolarHBondContact O-CA 3.26Å; F425-G429 PolarHBondContact O-N 2.9Å; F425-L430 HydrophobicContact CE1-CD1 4.35Å; F425-L430 HydrophobicContact CE1-CG 4.42Å; F425-L430 HydrophobicContact CZ-CD1 4.44Å; F425-L430 HydrophobicContact CZ-CD2 4.22Å; F425-L430 HydrophobicContact CZ-CG 4.15Å; F425-L430 PolarHBondContact O-N 3.38Å; F425-F502 HydrophobicContact CB-CB 4.3Å; F425-F502 AromaticContact CD1-CD1 3.92Å; F425-F502 HydrophobicContact CD1-CD1 3.92Å; F425-F502 HydrophobicContact CD1-CE1 4.44Å; F425-F502 HydrophobicContact CG-CD1 4.42Å; F425-A505 HydrophobicContact CD2-CB 3.82Å; F425-A505 HydrophobicContact CE2-CB 3.77Å; F425-A505 HydrophobicContact CG-CB 4.47Å; F425-A505 HydrophobicContact CZ-CB 4.39Å
426	L	93.4	Very high	92.2	Very high	17 Å²	17	36.3 Å²	36.3	9%	0.089	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-44.8	177.7	-66.7	174.3	0	0	0	111.5	L422 W424 L430 K431 W432 I437	L422-L426 HydrophobicContact CD1-CD1 4.06Å; L422-L426 HydrophobicContact CD1-CD2 4.4Å; L422-L426 HydrophobicContact CD1-CG 4.01Å; L422-L426 HydrophobicContact CG-CD1 4.14Å; L422-L426 HydrophobicContact CG-CG 4.47Å; L422-L426 WeakPolarHBondContact O-CG 3.24Å; L422-L426 PolarHBondContact O-N 3.33Å; W424-L426 PolarHBondContact O-N 2.92Å; L426-L430 HydrophobicContact CD2-CD1 3.78Å; L426-L430 CarbonylContact O-C 3.58Å; L426-L430 WeakPolarHBondContact O-CA 3.49Å; L426-L430 WeakPolarHBondContact O-CB 3.26Å; L426-L430 PolarHBondContact O-N 3.36Å; L426-K431 PolarHBondContact O-N 3.49Å; L426-W432 HydrophobicContact CB-CB 4.38Å; L426-W432 HydrophobicContact CB-CD2 4.19Å; L426-W432 HydrophobicContact CB-CE3 4.24Å; L426-W432 HydrophobicContact CB-CG 4.27Å; L426-W432 HydrophobicContact CD1-CE3 3.99Å; L426-W432 HydrophobicContact CD1-CZ3 3.97Å; L426-W432 HydrophobicContact CD2-CD2 4.22Å; L426-W432 HydrophobicContact CD2-CE3 4.33Å; L426-W432 HydrophobicContact CD2-CH2 4.35Å; L426-W432 HydrophobicContact CD2-CZ2 4.24Å; L426-W432 HydrophobicContact CD2-CZ3 4.38Å; L426-W432 HydrophobicContact CG-CE3 4.41Å; L426-W432 WeakPolarHBondContact O-CB 2.94Å; L426-W432 PolarHBondContact O-N 3.14Å; L426-I437 HydrophobicContact CB-CD1 4.25Å; L426-I437 HydrophobicContact CB-CG1 4.35Å
427	A	90	Very high	92.1	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.033	19%	0.188	C	C	.	.	H	α-helix	trans	-70.3	-46.7	179.3	0	0	0	0	0	112.2	P351 T423 W424 F425 K431 I437 M533	P351-A427 HydrophobicContact CB-CB 4.48Å; P351-A427 HydrophobicContact CG-CB 3.99Å; T423-A427 WeakPolarHBondContact O-CB 3.36Å; T423-A427 PolarHBondContact O-N 2.95Å; W424-A427 PolarHBondContact O-N 3.33Å; F425-A427 PolarHBondContact O-N 3.5Å; A427-K431 VanDerWaalsContact O-CA 3.28Å; A427-K431 WeakPolarHBondContact O-CA 3.24Å; A427-K431 PolarHBondContact O-N 3.23Å; A427-I437 HydrophobicContact CB-CD1 3.7Å; A427-M533 HydrophobicContact CB-CE 3.77Å; A427-M533 VanDerWaalsContact O-CE 3.28Å; A427-M533 WeakPolarHBondContact O-CE 3.47Å
428	A	86	Confident	91.8	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	20%	0.202	C	C	.	.	H	α-helix	trans	-82.5	-39	-171.6	0	0	0	0	0	113.6	W424 L510 I513 M533	W424-A428 WeakPolarHBondContact O-CB 3.13Å; W424-A428 PolarHBondContact O-N 2.97Å; A428-L510 HydrophobicContact CB-CD1 4.1Å; A428-L510 HydrophobicContact CB-CD2 3.9Å; A428-L510 HydrophobicContact CB-CG 3.9Å; A428-I513 VanDerWaalsContact O-CD1 3.28Å; A428-I513 WeakPolarHBondContact O-CD1 3.34Å; A428-M533 HydrophobicContact CB-SD 3.96Å
429	G	83.7	Confident	91.7	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-45	-176.6	0	0	0	0	0	114.1	F425	F425-G429 WeakPolarHBondContact O-CA 3.26Å; F425-G429 PolarHBondContact O-N 2.9Å
430	L	86.7	Confident	91.6	Very high	90 Å²	90	45.3 Å²	45.3	47%	0.471	25%	0.245	S	C	.	.	S	Bend	trans	-92.3	-0	179.1	-53.9	-171.3	0	0	0	113.5	F425 L426 W432	F425-L430 HydrophobicContact CE1-CD1 4.35Å; F425-L430 HydrophobicContact CE1-CG 4.42Å; F425-L430 HydrophobicContact CZ-CD1 4.44Å; F425-L430 HydrophobicContact CZ-CD2 4.22Å; F425-L430 HydrophobicContact CZ-CG 4.15Å; F425-L430 PolarHBondContact O-N 3.38Å; L426-L430 HydrophobicContact CD2-CD1 3.78Å; L426-L430 CarbonylContact O-C 3.58Å; L426-L430 WeakPolarHBondContact O-CA 3.49Å; L426-L430 WeakPolarHBondContact O-CB 3.26Å; L426-L430 PolarHBondContact O-N 3.36Å; L430-W432 HydrophobicContact CB-CG 4.43Å; L430-W432 PolarHBondContact O-N 3.44Å
431	K	85.9	Confident	91.5	Very high	149 Å²	149	46.6 Å²	46.6	65%	0.648	25%	0.254	S	S	*	.			trans	57.1	28.7	-179.5	-55.9	-177.8	179.9	180	0	114	L426 A427 I513	L426-K431 PolarHBondContact O-N 3.49Å; A427-K431 VanDerWaalsContact O-CA 3.28Å; A427-K431 WeakPolarHBondContact O-CA 3.24Å; A427-K431 PolarHBondContact O-N 3.23Å; K431-I513 HydrophobicContact CG-CD1 4.41Å
432	W	90.2	Very high	91.5	Very high	87 Å²	87	50.8 Å²	50.8	33%	0.33	28%	0.281	S	S	.	.			trans	-64.8	138.6	177.6	-75.3	24.4	0	0	0	111	L426 L430 A436 I437 Y440	L426-W432 HydrophobicContact CB-CB 4.38Å; L426-W432 HydrophobicContact CB-CD2 4.19Å; L426-W432 HydrophobicContact CB-CE3 4.24Å; L426-W432 HydrophobicContact CB-CG 4.27Å; L426-W432 HydrophobicContact CD1-CE3 3.99Å; L426-W432 HydrophobicContact CD1-CZ3 3.97Å; L426-W432 HydrophobicContact CD2-CD2 4.22Å; L426-W432 HydrophobicContact CD2-CE3 4.33Å; L426-W432 HydrophobicContact CD2-CH2 4.35Å; L426-W432 HydrophobicContact CD2-CZ2 4.24Å; L426-W432 HydrophobicContact CD2-CZ3 4.38Å; L426-W432 HydrophobicContact CG-CE3 4.41Å; L426-W432 WeakPolarHBondContact O-CB 2.94Å; L426-W432 PolarHBondContact O-N 3.14Å; L430-W432 HydrophobicContact CB-CG 4.43Å; L430-W432 PolarHBondContact O-N 3.44Å; W432-A436 HydrophobicContact CB-CB 4.48Å; W432-A436 HydrophobicContact CE3-CB 4.47Å; W432-I437 HydrophobicContact CB-CD1 4.08Å; W432-I437 HydrophobicContact CB-CG1 3.83Å; W432-I437 HydrophobicContact CE3-CG1 3.97Å; W432-Y440 HydrophobicContact CH2-CD2 4.29Å; W432-Y440 AromaticContact CH2-CE2 3.78Å; W432-Y440 HydrophobicContact CH2-CE2 3.78Å; W432-Y440 AromaticContact CZ3-CD2 3.65Å; W432-Y440 HydrophobicContact CZ3-CD2 3.65Å; W432-Y440 AromaticContact CZ3-CE2 3.53Å; W432-Y440 HydrophobicContact CZ3-CE2 3.53Å
433	S	88	Confident	91.5	Very high	54 Å²	54	55.2 Å²	55.2	38%	0.378	30%	0.296	S	S	.	.			trans	-74.3	163.5	175.3	89.2	0	0	0	0	111.7	E435 A436 I437	S433-E435 WeakPolarHBondContact CB-OE2 3.37Å; S433-E435 PolarHBondContact O-N 3.1Å; S433-E435 PolarHBondContact OG-N 2.62Å; S433-E435 PolarHBondContact OG-OE2 3.3Å; S433-A436 PolarHBondContact O-N 2.99Å; S433-A436 PolarHBondContact OG-N 2.84Å; S433-I437 WeakPolarHBondContact O-CG1 3.33Å; S433-I437 PolarHBondContact O-N 2.73Å
434	N	89.5	Confident	91.5	Very high	57 Å²	57	56.1 Å²	56.1	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-33.6	179.5	-59.3	-23.2	0	0	0	111.3	Y350 S438	Y350-N434 WeakPolarHBondContact O-CB 3.49Å; Y350-N434 VanDerWaalsContact O-CG 3.23Å; Y350-N434 PolarHBondContact O-OD1 2.82Å; Y350-N434 VanDerWaalsContact O-OD1 3.1Å; N434-S438 WeakPolarHBondContact O-CB 3.49Å; N434-S438 PolarHBondContact O-N 2.76Å
435	E	91.5	Very high	91.6	Very high	131 Å²	131	57.3 Å²	57.3	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-69.2	-46.2	177.8	-54.2	67	-140.1	0	0	110.4	S433 I437 S438 G439	S433-E435 WeakPolarHBondContact CB-OE2 3.37Å; S433-E435 PolarHBondContact O-N 3.1Å; S433-E435 PolarHBondContact OG-N 2.62Å; S433-E435 PolarHBondContact OG-OE2 3.3Å; E435-I437 PolarHBondContact O-N 2.54Å; E435-S438 PolarHBondContact O-N 3.49Å; E435-G439 PolarHBondContact O-N 3.16Å
436	A	93.4	Very high	91.7	Very high	43 Å²	43	60.1 Å²	60.1	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-47.6	176.1	0	0	0	0	0	111.4	W432 S433 G439 Y440	W432-A436 HydrophobicContact CB-CB 4.48Å; W432-A436 HydrophobicContact CE3-CB 4.47Å; S433-A436 PolarHBondContact O-N 2.99Å; S433-A436 PolarHBondContact OG-N 2.84Å; A436-G439 PolarHBondContact O-N 3.33Å; A436-Y440 WeakPolarHBondContact O-CD2 3.47Å
437	I	94.3	Very high	91.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-41.2	176.2	-61.9	169.3	0	0	0	111	Y350 T423 L426 A427 W432 S433 E435 G439 Y440 F444	Y350-I437 HydrophobicContact CD1-CG2 4.06Å; Y350-I437 HydrophobicContact CG-CG2 3.96Å; T423-I437 HydrophobicContact CG2-CG2 3.59Å; L426-I437 HydrophobicContact CB-CD1 4.25Å; L426-I437 HydrophobicContact CB-CG1 4.35Å; A427-I437 HydrophobicContact CB-CD1 3.7Å; W432-I437 HydrophobicContact CB-CD1 4.08Å; W432-I437 HydrophobicContact CB-CG1 3.83Å; W432-I437 HydrophobicContact CE3-CG1 3.97Å; S433-I437 WeakPolarHBondContact O-CG1 3.33Å; S433-I437 PolarHBondContact O-N 2.73Å; E435-I437 PolarHBondContact O-N 2.54Å; I437-G439 PolarHBondContact O-N 3.05Å; I437-Y440 PolarHBondContact O-N 2.75Å; I437-Y440 VanDerWaalsContact O-N 3.12Å; I437-F444 HydrophobicContact CG2-CE2 3.92Å; I437-F444 HydrophobicContact CG2-CZ 4.41Å
438	S	92.6	Very high	92.1	Very high	43 Å²	43	64.2 Å²	64.2	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-26.8	178.8	-167.5	0	0	0	0	113	N434 E435 Y440 S441	N434-S438 WeakPolarHBondContact O-CB 3.49Å; N434-S438 PolarHBondContact O-N 2.76Å; E435-S438 PolarHBondContact O-N 3.49Å; S438-Y440 PolarHBondContact O-N 3.29Å; S438-S441 VanDerWaalsContact O-CB 3.24Å; S438-S441 WeakPolarHBondContact O-CB 3.49Å; S438-S441 PolarHBondContact O-N 2.33Å; S438-S441 VanDerWaalsContact O-N 3.14Å; S438-S441 PolarHBondContact O-OG 3.22Å
439	G	93.4	Very high	92.6	Very high	55 Å²	55	64.5 Å²	64.5	57%	0.567	34%	0.337	S	S	*	.	H	α-helix	trans	-59.5	-33	172.2	0	0	0	0	0	113.5	E435 A436 I437 P442	E435-G439 PolarHBondContact O-N 3.16Å; A436-G439 PolarHBondContact O-N 3.33Å; I437-G439 PolarHBondContact O-N 3.05Å; G439-P442 WeakPolarHBondContact O-CD 3.23Å
440	Y	95	Very high	93.2	Very high	116 Å²	116	65.4 Å²	65.4	46%	0.455	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.9	177.3	-67.4	-85.8	0	0	0	114.2	W432 A436 I437 S438 P442 Y443 F444	W432-Y440 HydrophobicContact CH2-CD2 4.29Å; W432-Y440 AromaticContact CH2-CE2 3.78Å; W432-Y440 HydrophobicContact CH2-CE2 3.78Å; W432-Y440 AromaticContact CZ3-CD2 3.65Å; W432-Y440 HydrophobicContact CZ3-CD2 3.65Å; W432-Y440 AromaticContact CZ3-CE2 3.53Å; W432-Y440 HydrophobicContact CZ3-CE2 3.53Å; A436-Y440 WeakPolarHBondContact O-CD2 3.47Å; I437-Y440 PolarHBondContact O-N 2.75Å; I437-Y440 VanDerWaalsContact O-N 3.12Å; S438-Y440 PolarHBondContact O-N 3.29Å; Y440-P442 VanDerWaalsContact C-N 3.32Å; Y440-Y443 HydrophobicContact CD1-CD2 4.01Å; Y440-Y443 HydrophobicContact CD1-CE2 4.25Å; Y440-Y443 WeakPolarHBondContact O-CB 3.39Å; Y440-Y443 PolarHBondContact O-N 3.42Å; Y440-F444 PolarHBondContact O-N 3.37Å
441	S	93.6	Very high	93.6	Very high	27 Å²	27	64.2 Å²	64.2	19%	0.189	34%	0.337	C	S	.	.	H	α-helix	trans	-53.4	-33.9	-179.2	63	0	0	0	0	115.9	Y350 S438 Y443 F444 H445	Y350-S441 WeakPolarHBondContact OH-CB 3.41Å; S438-S441 VanDerWaalsContact O-CB 3.24Å; S438-S441 WeakPolarHBondContact O-CB 3.49Å; S438-S441 PolarHBondContact O-N 2.33Å; S438-S441 VanDerWaalsContact O-N 3.14Å; S438-S441 PolarHBondContact O-OG 3.22Å; S441-Y443 VanDerWaalsContact C-N 3.3Å; S441-Y443 PolarHBondContact O-N 3.3Å; S441-F444 PolarHBondContact O-N 3.5Å; S441-H445 PolarHBondContact O-CD2 3.47Å; S441-H445 VanDerWaalsContact O-CD2 3.28Å; S441-H445 PolarHBondContact O-N 2.95Å
442	P	95.4	Very high	94.2	Very high	87 Å²	87	57.1 Å²	57.1	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-60	-38.6	175.1	-24.2	36	0	0	0	112.9	G439 Y440 M446	G439-P442 WeakPolarHBondContact O-CD 3.23Å; Y440-P442 VanDerWaalsContact C-N 3.32Å; P442-M446 WeakPolarHBondContact O-CB 3.35Å; P442-M446 PolarHBondContact O-N 2.99Å
443	Y	95.7	Very high	94.4	Very high	133 Å²	133	53.8 Å²	53.8	52%	0.522	30%	0.296	S	S	.	.	H	α-helix	trans	-69.3	-42.1	178.1	-60.9	-78.5	0	0	0	111.7	Y440 S441 H445 M446 F447	Y440-Y443 HydrophobicContact CD1-CD2 4.01Å; Y440-Y443 HydrophobicContact CD1-CE2 4.25Å; Y440-Y443 WeakPolarHBondContact O-CB 3.39Å; Y440-Y443 PolarHBondContact O-N 3.42Å; S441-Y443 VanDerWaalsContact C-N 3.3Å; S441-Y443 PolarHBondContact O-N 3.3Å; Y443-H445 VanDerWaalsContact C-N 3.35Å; Y443-H445 PolarHBondContact O-N 2.59Å; Y443-M446 HydrophobicContact CD1-CE 4.29Å; Y443-M446 PolarHBondContact O-N 3.44Å; Y443-F447 WeakPolarHBondContact O-CD2 2.99Å; Y443-F447 PolarHBondContact O-N 2.84Å
444	F	96.1	Very high	94.9	Very high	19 Å²	19	56.8 Å²	56.8	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-46.1	176	-56.6	-32.9	0	0	0	111.4	Y350 W416 V419 L422 T423 I437 Y440 S441 A448	Y350-F444 AromaticContact CE1-CD2 3.91Å; Y350-F444 HydrophobicContact CE1-CD2 3.91Å; Y350-F444 HydrophobicContact CE1-CE2 4.38Å; W416-F444 HydrophobicContact CZ3-CB 4.48Å; V419-F444 HydrophobicContact CG1-CB 3.9Å; V419-F444 HydrophobicContact CG1-CD1 4.27Å; V419-F444 HydrophobicContact CG1-CD2 4.25Å; V419-F444 HydrophobicContact CG1-CG 3.9Å; V419-F444 HydrophobicContact CG2-CB 4.28Å; L422-F444 HydrophobicContact CD2-CE1 3.98Å; T423-F444 HydrophobicContact CG2-CD2 4.2Å; T423-F444 HydrophobicContact CG2-CE1 4.45Å; T423-F444 HydrophobicContact CG2-CE2 3.6Å; T423-F444 HydrophobicContact CG2-CZ 3.75Å; I437-F444 HydrophobicContact CG2-CE2 3.92Å; I437-F444 HydrophobicContact CG2-CZ 4.41Å; Y440-F444 PolarHBondContact O-N 3.37Å; S441-F444 PolarHBondContact O-N 3.5Å; F444-A448 WeakPolarHBondContact O-CB 3.34Å; F444-A448 PolarHBondContact O-N 2.86Å
445	H	95.6	Very high	95.2	Very high	35 Å²	35	55.9 Å²	55.9	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-44	174.3	-83.3	-102.1	0	0	0	112.1	F357 W416 S441 Y443 A448 W449	F357-H445 AromaticContact CE2-CE1 3.53Å; F357-H445 AromaticContact CE2-NE2 3.27Å; F357-H445 VanDerWaalsContact CE2-NE2 3.27Å; F357-H445 WeakPolarHBondContact CE2-NE2 2.96Å; F357-H445 AromaticContact CZ-CE1 3.42Å; F357-H445 VanDerWaalsContact CZ-CE1 3.42Å; F357-H445 WeakPolarHBondContact CZ-CE1 3.4Å; F357-H445 AromaticContact CZ-NE2 3.49Å; F357-H445 WeakPolarHBondContact CZ-NE2 3.3Å; W416-H445 AromaticContact CH2-CD2 3.7Å; W416-H445 AromaticContact CH2-CE1 3.91Å; W416-H445 AromaticContact CH2-CG 3.89Å; W416-H445 AromaticContact CH2-NE2 3.72Å; S441-H445 PolarHBondContact O-CD2 3.47Å; S441-H445 VanDerWaalsContact O-CD2 3.28Å; S441-H445 PolarHBondContact O-N 2.95Å; Y443-H445 VanDerWaalsContact C-N 3.35Å; Y443-H445 PolarHBondContact O-N 2.59Å; H445-A448 PolarHBondContact O-N 2.88Å; H445-W449 AromaticContact ND1-NE1 3.6Å; H445-W449 PolarHBondContact O-N 3.28Å
446	M	95.7	Very high	95.3	Very high	97 Å²	97	49.7 Å²	49.7	48%	0.478	27%	0.271	S	S	.	.	H	α-helix	trans	-56.2	-54.1	179.1	-176.6	-175.3	73.1	0	0	111.6	P442 Y443 A450	P442-M446 WeakPolarHBondContact O-CB 3.35Å; P442-M446 PolarHBondContact O-N 2.99Å; Y443-M446 HydrophobicContact CD1-CE 4.29Å; Y443-M446 PolarHBondContact O-N 3.44Å; M446-A450 WeakPolarHBondContact O-CB 3.44Å; M446-A450 PolarHBondContact O-N 2.92Å
447	F	95	Very high	95.4	Very high	107 Å²	107	50.6 Å²	50.6	47%	0.469	27%	0.272	S	S	.	.	H	α-helix	trans	-69.1	-38.1	-178.8	-68.6	-65.1	0	0	0	113	Y443 W449 L451	Y443-F447 WeakPolarHBondContact O-CD2 2.99Å; Y443-F447 PolarHBondContact O-N 2.84Å; F447-W449 VanDerWaalsContact C-N 3.3Å; F447-W449 PolarHBondContact O-N 2.92Å; F447-L451 WeakPolarHBondContact O-CG 3.45Å; F447-L451 PolarHBondContact O-N 3.48Å
448	A	96.2	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-29.4	-178.9	0	0	0	0	0	114	V415 W416 F444 H445 P452	V415-A448 HydrophobicContact CB-CB 4.45Å; V415-A448 HydrophobicContact CG1-CB 4.07Å; W416-A448 HydrophobicContact CD2-CB 3.86Å; W416-A448 VanDerWaalsContact CE2-CB 3.45Å; W416-A448 HydrophobicContact CE3-CB 4.35Å; W416-A448 HydrophobicContact CG-CB 4.34Å; W416-A448 HydrophobicContact CH2-CB 4.15Å; W416-A448 HydrophobicContact CZ2-CB 3.62Å; W416-A448 HydrophobicContact CZ3-CB 4.48Å; F444-A448 WeakPolarHBondContact O-CB 3.34Å; F444-A448 PolarHBondContact O-N 2.86Å; H445-A448 PolarHBondContact O-N 2.88Å; A448-P452 WeakPolarHBondContact O-CD 3.49Å; A448-P452 VanDerWaalsContact O-CG 3.3Å; A448-P452 WeakPolarHBondContact O-CG 3.38Å
449	W	97	Very high	95.3	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.038	27%	0.272	C	S	.	.	H	α-helix	trans	-98.8	-35.2	176	-54.1	118.8	0	0	0	113.1	W76 L79 F408 F409 A412 W416 H445 F447 P452 S453	W76-W449 HydrophobicContact CZ2-CH2 4.1Å; W76-W449 AromaticContact CZ2-CZ2 3.97Å; W76-W449 HydrophobicContact CZ2-CZ2 3.97Å; L79-W449 HydrophobicContact CD1-CB 4.03Å; L79-W449 HydrophobicContact CD1-CG 4.42Å; F408-W449 AromaticContact CE1-CE3 3.97Å; F408-W449 HydrophobicContact CE1-CE3 3.97Å; F408-W449 HydrophobicContact CE1-CZ3 4.19Å; F408-W449 HydrophobicContact CZ-CE3 4.07Å; F409-W449 HydrophobicContact CD1-CZ3 4.48Å; F409-W449 HydrophobicContact CE1-CZ3 4.43Å; A412-W449 HydrophobicContact CB-CE3 3.98Å; A412-W449 HydrophobicContact CB-CZ3 3.61Å; W416-W449 AromaticContact CE2-CZ2 3.73Å; W416-W449 AromaticContact CZ2-CE2 3.84Å; W416-W449 AromaticContact CZ2-CZ2 3.74Å; W416-W449 HydrophobicContact CZ2-CZ2 3.74Å; W416-W449 AromaticContact CZ2-NE1 3.74Å; W416-W449 AromaticContact NE1-CE2 3.72Å; W416-W449 AromaticContact NE1-CH2 3.27Å; W416-W449 VanDerWaalsContact NE1-CH2 3.27Å; W416-W449 AromaticContact NE1-CZ2 3.16Å; W416-W449 AromaticContact NE1-CZ3 3.89Å; H445-W449 AromaticContact ND1-NE1 3.6Å; H445-W449 PolarHBondContact O-N 3.28Å; F447-W449 VanDerWaalsContact C-N 3.3Å; F447-W449 PolarHBondContact O-N 2.92Å; W449-P452 WeakPolarHBondContact O-CD 3.34Å; W449-S453 WeakPolarHBondContact O-CB 3.44Å; W449-S453 PolarHBondContact O-N 3.05Å; W449-S453 VanDerWaalsContact O-N 3.1Å; W449-S453 PolarHBondContact O-OG 3.37Å
450	A	95.8	Very high	95.2	Very high	34 Å²	34	48.8 Å²	48.8	28%	0.281	25%	0.251	S	S	.	.	H	α-helix	trans	-66.9	-43.2	-179	0	0	0	0	0	113.7	M446 S453 I454	M446-A450 WeakPolarHBondContact O-CB 3.44Å; M446-A450 PolarHBondContact O-N 2.92Å; A450-S453 WeakPolarHBondContact O-CB 3.35Å; A450-S453 PolarHBondContact O-N 3.13Å; A450-S453 VanDerWaalsContact O-N 3.16Å; A450-I454 WeakPolarHBondContact O-CG1 3.17Å; A450-I454 PolarHBondContact O-N 3.4Å
451	L	96.2	Very high	94.9	Very high	65 Å²	65	46.3 Å²	46.3	34%	0.34	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-41.7	-177.3	-63	174.1	0	0	0	113	V415 F447 K455 Y495	V415-L451 HydrophobicContact CG2-CD1 4.45Å; F447-L451 WeakPolarHBondContact O-CG 3.45Å; F447-L451 PolarHBondContact O-N 3.48Å; L451-K455 WeakPolarHBondContact O-CD 3.49Å; L451-K455 WeakPolarHBondContact O-CG 3.43Å; L451-K455 PolarHBondContact O-N 3.47Å; L451-Y495 HydrophobicContact CD1-CE1 4.41Å
452	P	97.1	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-38.5	168.3	-23.9	35.9	0	0	0	113.3	F408 M411 A412 A448 W449 K455 T456	F408-P452 HydrophobicContact CD2-CB 3.76Å; F408-P452 HydrophobicContact CE2-CB 3.87Å; F408-P452 HydrophobicContact CG-CB 4.24Å; F408-P452 HydrophobicContact CZ-CB 4.43Å; M411-P452 HydrophobicContact CB-CB 3.9Å; M411-P452 HydrophobicContact CB-CG 4Å; A412-P452 HydrophobicContact CB-CB 4.5Å; A412-P452 HydrophobicContact CB-CG 3.89Å; A448-P452 WeakPolarHBondContact O-CD 3.49Å; A448-P452 VanDerWaalsContact O-CG 3.3Å; A448-P452 WeakPolarHBondContact O-CG 3.38Å; W449-P452 WeakPolarHBondContact O-CD 3.34Å; P452-K455 PolarHBondContact O-N 3.28Å; P452-T456 WeakPolarHBondContact O-CB 3.42Å; P452-T456 PolarHBondContact O-N 2.79Å; P452-T456 PolarHBondContact O-OG1 2.03Å
453	S	96.1	Very high	94.2	Very high	17 Å²	17	48 Å²	48	12%	0.119	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-50.2	-179.2	-59.9	0	0	0	0	111.6	F408 W449 A450 K455 T456 V457	F408-S453 WeakPolarHBondContact CE2-OG 3.37Å; W449-S453 WeakPolarHBondContact O-CB 3.44Å; W449-S453 PolarHBondContact O-N 3.05Å; W449-S453 VanDerWaalsContact O-N 3.1Å; W449-S453 PolarHBondContact O-OG 3.37Å; A450-S453 WeakPolarHBondContact O-CB 3.35Å; A450-S453 PolarHBondContact O-N 3.13Å; A450-S453 VanDerWaalsContact O-N 3.16Å; S453-K455 VanDerWaalsContact C-N 3.35Å; S453-K455 PolarHBondContact O-N 2.93Å; S453-T456 PolarHBondContact O-N 3.08Å; S453-V457 WeakPolarHBondContact O-CG2 3.2Å; S453-V457 PolarHBondContact O-N 3.11Å
454	I	96.6	Very high	93.9	Very high	117 Å²	117	42.5 Å²	42.5	60%	0.6	24%	0.243	S	C	*	.	H	α-helix	trans	-60.3	-44.5	-178.9	-67.6	163.6	0	0	0	110.8	A450 A458	A450-I454 WeakPolarHBondContact O-CG1 3.17Å; A450-I454 PolarHBondContact O-N 3.4Å; I454-A458 WeakPolarHBondContact O-CB 3.33Å; I454-A458 PolarHBondContact O-N 2.89Å
455	K	95.8	Very high	93.7	Very high	37 Å²	37	41.6 Å²	41.6	16%	0.161	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-46.4	177.1	-69.9	169.9	179.6	172.6	0	112.1	Y407 M411 L451 P452 S453 V457 A458 I459 P491 Y495	Y407-K455 HydrophobicContact CE1-CB 4.14Å; M411-K455 HydrophobicContact SD-CD 4.48Å; L451-K455 WeakPolarHBondContact O-CD 3.49Å; L451-K455 WeakPolarHBondContact O-CG 3.43Å; L451-K455 PolarHBondContact O-N 3.47Å; P452-K455 PolarHBondContact O-N 3.28Å; S453-K455 VanDerWaalsContact C-N 3.35Å; S453-K455 PolarHBondContact O-N 2.93Å; K455-V457 PolarHBondContact O-N 3.04Å; K455-A458 PolarHBondContact O-N 2.66Å; K455-A458 VanDerWaalsContact O-N 3.16Å; K455-I459 WeakPolarHBondContact O-CD1 3.38Å; K455-I459 VanDerWaalsContact O-CG1 3.24Å; K455-I459 WeakPolarHBondContact O-CG1 3.38Å; K455-I459 PolarHBondContact O-N 3.41Å; K455-P491 HydrophobicContact CD-CG 4.42Å; K455-Y495 PolarHBondContact NZ-OH 2.86Å
456	T	95.2	Very high	93.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-44.3	-179.3	-54.7	0	0	0	0	111.1	F403 L404 P452 S453 I459 L460	F403-T456 HydrophobicContact CE1-CG2 3.9Å; F403-T456 HydrophobicContact CZ-CG2 4.3Å; L404-T456 HydrophobicContact CD2-CG2 3.4Å; P452-T456 WeakPolarHBondContact O-CB 3.42Å; P452-T456 PolarHBondContact O-N 2.79Å; P452-T456 PolarHBondContact O-OG1 2.03Å; S453-T456 PolarHBondContact O-N 3.08Å; T456-I459 PolarHBondContact O-N 2.81Å; T456-L460 HydrophobicContact CG2-CD1 4.3Å; T456-L460 WeakPolarHBondContact O-CG 3.44Å; T456-L460 PolarHBondContact O-N 2.87Å; T456-L460 VanDerWaalsContact O-N 3.12Å
457	V	94	Very high	93.2	Very high	61 Å²	61	35.6 Å²	35.6	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-64.2	-40	174.8	172.5	0	0	0	0	111.7	S453 K455 L460 A461	S453-V457 WeakPolarHBondContact O-CG2 3.2Å; S453-V457 PolarHBondContact O-N 3.11Å; K455-V457 PolarHBondContact O-N 3.04Å; V457-L460 PolarHBondContact O-N 2.92Å; V457-A461 VanDerWaalsContact O-CB 3.26Å; V457-A461 WeakPolarHBondContact O-CB 3.39Å; V457-A461 PolarHBondContact O-N 3.48Å
458	A	93.1	Very high	93.1	Very high	36 Å²	36	30.8 Å²	30.8	30%	0.298	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-41.7	177	0	0	0	0	0	112.8	I454 K455 A461 L462 F487	I454-A458 WeakPolarHBondContact O-CB 3.33Å; I454-A458 PolarHBondContact O-N 2.89Å; K455-A458 PolarHBondContact O-N 2.66Å; K455-A458 VanDerWaalsContact O-N 3.16Å; A458-A461 PolarHBondContact O-N 3.02Å; A458-L462 WeakPolarHBondContact O-CB 3.28Å; A458-L462 VanDerWaalsContact O-CG 3.26Å; A458-L462 WeakPolarHBondContact O-CG 3.44Å; A458-L462 PolarHBondContact O-N 3.23Å; A458-F487 HydrophobicContact CB-CE1 3.87Å; A458-F487 HydrophobicContact CB-CZ 4.24Å
459	I	92.3	Very high	92.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-45.6	177.3	-64.6	156.4	0	0	0	110.8	F403 Y407 K455 T456 L462 S463 A464 V465 V476 F487	F403-I459 HydrophobicContact CE1-CG2 4.46Å; F403-I459 HydrophobicContact CE2-CD1 4.35Å; F403-I459 HydrophobicContact CE2-CG2 3.99Å; F403-I459 HydrophobicContact CZ-CB 4.03Å; F403-I459 HydrophobicContact CZ-CD1 3.99Å; F403-I459 HydrophobicContact CZ-CG2 3.62Å; Y407-I459 HydrophobicContact CD1-CD1 3.95Å; Y407-I459 HydrophobicContact CD2-CD1 4.42Å; Y407-I459 HydrophobicContact CE1-CD1 3.37Å; Y407-I459 HydrophobicContact CE2-CD1 3.88Å; Y407-I459 HydrophobicContact CG-CD1 4.46Å; K455-I459 WeakPolarHBondContact O-CD1 3.38Å; K455-I459 VanDerWaalsContact O-CG1 3.24Å; K455-I459 WeakPolarHBondContact O-CG1 3.38Å; K455-I459 PolarHBondContact O-N 3.41Å; T456-I459 PolarHBondContact O-N 2.81Å; I459-L462 PolarHBondContact O-N 3.31Å; I459-S463 PolarHBondContact O-N 3.27Å; I459-A464 HydrophobicContact CG2-CB 4.07Å; I459-A464 PolarHBondContact O-N 3.39Å; I459-V465 HydrophobicContact CG2-CG2 3.75Å; I459-V476 HydrophobicContact CD1-CB 4.45Å; I459-V476 HydrophobicContact CD1-CG1 4.03Å; I459-V476 HydrophobicContact CD1-CG2 4.42Å; I459-V476 HydrophobicContact CG1-CG2 4.23Å; I459-V476 HydrophobicContact CG2-CB 3.96Å; I459-V476 HydrophobicContact CG2-CG2 3.91Å; I459-F487 HydrophobicContact CD1-CB 3.95Å; I459-F487 HydrophobicContact CD1-CD1 4Å; I459-F487 HydrophobicContact CD1-CG 4.03Å; I459-F487 HydrophobicContact CG1-CB 4.03Å; I459-F487 HydrophobicContact CG1-CD1 3.58Å; I459-F487 HydrophobicContact CG1-CD2 4.02Å; I459-F487 HydrophobicContact CG1-CE1 4.02Å; I459-F487 HydrophobicContact CG1-CE2 4.41Å; I459-F487 HydrophobicContact CG1-CG 3.59Å; I459-F487 HydrophobicContact CG1-CZ 4.41Å
460	L	91.2	Very high	92.4	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.126	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-41.2	177.1	-67.8	170	0	0	0	111.8	L90 T400 F403 L404 T456 V457 L462 S463 V465	L90-L460 HydrophobicContact CD1-CB 3.86Å; T400-L460 HydrophobicContact CG2-CD2 4.12Å; F403-L460 HydrophobicContact CD1-CD2 4.19Å; F403-L460 HydrophobicContact CE1-CD2 3.94Å; F403-L460 HydrophobicContact CE1-CG 4.05Å; L404-L460 HydrophobicContact CD2-CD1 4.4Å; T456-L460 HydrophobicContact CG2-CD1 4.3Å; T456-L460 WeakPolarHBondContact O-CG 3.44Å; T456-L460 PolarHBondContact O-N 2.87Å; T456-L460 VanDerWaalsContact O-N 3.12Å; V457-L460 PolarHBondContact O-N 2.92Å; L460-L462 PolarHBondContact O-N 3.12Å; L460-S463 PolarHBondContact O-N 3.34Å; L460-S463 VanDerWaalsContact O-N 3.12Å; L460-V465 HydrophobicContact CD2-CG2 3.94Å
461	A	89	Confident	92.2	Very high	65 Å²	65	30.8 Å²	30.8	54%	0.537	19%	0.186	S	C	.	.	H	α-helix	trans	-68.6	-19.7	177	0	0	0	0	0	114	V457 A458	V457-A461 VanDerWaalsContact O-CB 3.26Å; V457-A461 WeakPolarHBondContact O-CB 3.39Å; V457-A461 PolarHBondContact O-N 3.48Å; A458-A461 PolarHBondContact O-N 3.02Å
462	L	88.2	Confident	92	Very high	87 Å²	87	27.7 Å²	27.7	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.2	173.1	-70.1	169.9	0	0	0	113.3	R293 A458 I459 L460 A464 F487	R293-L462 PolarHBondContact NH1-O 3.25Å; A458-L462 WeakPolarHBondContact O-CB 3.28Å; A458-L462 VanDerWaalsContact O-CG 3.26Å; A458-L462 WeakPolarHBondContact O-CG 3.44Å; A458-L462 PolarHBondContact O-N 3.23Å; I459-L462 PolarHBondContact O-N 3.31Å; L460-L462 PolarHBondContact O-N 3.12Å; L462-A464 HydrophobicContact CB-CB 4.05Å; L462-A464 PolarHBondContact O-N 3.26Å; L462-F487 HydrophobicContact CD1-CE2 3.7Å; L462-F487 HydrophobicContact CD1-CZ 3.62Å
463	S	86.8	Confident	91.8	Very high	63 Å²	63	27.9 Å²	27.9	44%	0.441	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	39.4	-168.1	-56	0	0	0	0	112.6	T390 I459 L460	T390-S463 PolarHBondContact OG1-O 3.41Å; I459-S463 PolarHBondContact O-N 3.27Å; L460-S463 PolarHBondContact O-N 3.34Å; L460-S463 VanDerWaalsContact O-N 3.12Å
464	A	88.8	Confident	91.7	Very high	16 Å²	16	27 Å²	27	13%	0.132	17%	0.165	C	C	.	.			trans	-96.5	26.2	-173.7	0	0	0	0	0	113.5	I459 L462 V476 T483	I459-A464 HydrophobicContact CG2-CB 4.07Å; I459-A464 PolarHBondContact O-N 3.39Å; L462-A464 HydrophobicContact CB-CB 4.05Å; L462-A464 PolarHBondContact O-N 3.26Å; A464-V476 HydrophobicContact CB-CG2 4.47Å; A464-V476 WeakPolarHBondContact O-CG2 3.41Å; A464-T483 HydrophobicContact CB-CG2 3.81Å
465	V	91.5	Very high	91.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	14%	0.143	C	C	.	.			trans	-98.9	120.5	174.3	-178.6	0	0	0	0	109.4	T390 F403 I459 L460 C474 S475	T390-V465 HydrophobicContact CG2-CB 4.05Å; T390-V465 PolarHBondContact N-O 3.06Å; T390-V465 WeakPolarHBondContact OG1-CB 3.47Å; T390-V465 PolarHBondContact OG1-N 2.94Å; T390-V465 VanDerWaalsContact OG1-N 3.15Å; T390-V465 PolarHBondContact OG1-O 3.16Å; F403-V465 HydrophobicContact CB-CG1 3.71Å; F403-V465 HydrophobicContact CD1-CG1 4.29Å; F403-V465 HydrophobicContact CD1-CG2 3.7Å; F403-V465 HydrophobicContact CD2-CG1 3.99Å; F403-V465 HydrophobicContact CD2-CG2 3.93Å; F403-V465 HydrophobicContact CE1-CG2 3.73Å; F403-V465 HydrophobicContact CE2-CG2 3.96Å; F403-V465 HydrophobicContact CG-CB 4.45Å; F403-V465 HydrophobicContact CG-CG1 3.72Å; F403-V465 HydrophobicContact CG-CG2 3.81Å; F403-V465 HydrophobicContact CZ-CG2 3.87Å; I459-V465 HydrophobicContact CG2-CG2 3.75Å; L460-V465 HydrophobicContact CD2-CG2 3.94Å; V465-C474 HydrophobicContact CG1-CB 3.92Å; V465-S475 VanDerWaalsContact CA-O 3.31Å; V465-S475 WeakPolarHBondContact CA-O 3.36Å; V465-S475 WeakPolarHBondContact CG1-O 3.47Å
466	D	90.5	Very high	91.5	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	150.1	-175.9	57.4	6.9	0	0	0	112.7	C474 S475 G477 N478 T479	D466-C474 WeakPolarHBondContact O-CA 3.48Å; D466-S475 PolarHBondContact N-O 2.9Å; D466-S475 PolarHBondContact O-N 3.17Å; D466-G477 PolarHBondContact OD1-N 3.29Å; D466-N478 PolarHBondContact O-ND2 3.38Å; D466-N478 VanDerWaalsContact O-ND2 3.11Å; D466-N478 WeakPolarHBondContact OD1-CB 3.19Å; D466-N478 PolarHBondContact OD1-N 3.13Å; D466-N478 PolarHBondContact OD1-ND2 2.9Å; D466-N478 PolarHBondContact OD2-N 3.21Å; D466-T479 HydrophobicContact CB-CG2 4.43Å; D466-T479 WeakPolarHBondContact OD2-CB 3.32Å; D466-T479 WeakPolarHBondContact OD2-CG2 3.38Å; D466-T479 PolarHBondContact OD2-N 3.43Å; D466-T479 PolarHBondContact OD2-OG1 3.32Å
467	G	91.6	Very high	91.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	133.5	174.2	0	0	0	0	0	112.4	I387 R388 P469	I387-G467 WeakPolarHBondContact CD1-O 3.36Å; R388-G467 PolarHBondContact O-N 3.09Å; G467-P469 WeakPolarHBondContact O-CD 3.04Å
468	D	91.9	Very high	91.1	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.032	13%	0.126	C	C	.	.			trans	-87	112.1	170.8	176.3	-13.9	0	0	0	109.5	I470 S471 G472 I473 Y601	D468-I470 PolarHBondContact O-N 3.32Å; D468-I470 WeakPolarHBondContact OD1-CA 3.31Å; D468-I470 WeakPolarHBondContact OD1-CB 3.49Å; D468-I470 PolarHBondContact OD1-N 2.95Å; D468-S471 WeakPolarHBondContact CB-OG 3.34Å; D468-S471 PolarHBondContact OD1-N 3.13Å; D468-S471 VanDerWaalsContact OD1-N 3.16Å; D468-S471 WeakPolarHBondContact OD2-CB 3.48Å; D468-S471 PolarHBondContact OD2-OG 3.3Å; D468-G472 WeakPolarHBondContact O-CA 3.14Å; D468-G472 PolarHBondContact O-N 3.33Å; D468-I473 WeakPolarHBondContact CB-O 3.27Å; D468-I473 PolarHBondContact N-O 3.41Å; D468-Y601 PolarHBondContact OD1-OH 3.33Å; D468-Y601 VanDerWaalsContact OD2-CE1 3.3Å; D468-Y601 WeakPolarHBondContact OD2-CE1 3.06Å; D468-Y601 VanDerWaalsContact OD2-CZ 3.28Å; D468-Y601 PolarHBondContact OD2-OH 3.13Å
469	P	89.1	Confident	90.8	Very high	11 Å²	11	19.6 Å²	19.6	7%	0.071	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.2	-174.9	32.9	-36.7	0	0	0	113.8	Y304 P305 C306 G308 H377 I387 G467	Y304-P469 HydrophobicContact CD1-CG 4.12Å; P305-P469 VanDerWaalsContact O-CB 3.3Å; P305-P469 WeakPolarHBondContact O-CB 3.46Å; C306-P469 WeakPolarHBondContact O-CA 3.25Å; G308-P469 WeakPolarHBondContact CA-O 3.22Å; G308-P469 PolarHBondContact N-O 3.41Å; H377-P469 PolarHBondContact NE2-O 3.31Å; I387-P469 HydrophobicContact CG2-CB 3.82Å; I387-P469 HydrophobicContact CG2-CG 4.25Å; G467-P469 WeakPolarHBondContact O-CD 3.04Å
470	I	89.3	Confident	90.5	Very high	33 Å²	33	22.3 Å²	22.3	17%	0.169	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-53.4	173.9	-64.6	174.8	0	0	0	109.8	M311 V319 H377 D468 A597 Y601	M311-I470 HydrophobicContact CE-CB 4.5Å; M311-I470 HydrophobicContact CE-CG1 4.15Å; M311-I470 HydrophobicContact CE-CG2 4.02Å; V319-I470 HydrophobicContact CG1-CG2 4.03Å; V319-I470 WeakPolarHBondContact CG1-O 3.32Å; H377-I470 PolarHBondContact NE2-O 3.22Å; D468-I470 PolarHBondContact O-N 3.32Å; D468-I470 WeakPolarHBondContact OD1-CA 3.31Å; D468-I470 WeakPolarHBondContact OD1-CB 3.49Å; D468-I470 PolarHBondContact OD1-N 2.95Å; I470-A597 HydrophobicContact CD1-CB 3.93Å; I470-A597 HydrophobicContact CG2-CB 4.43Å; I470-Y601 HydrophobicContact CG2-CE2 3.79Å
471	S	91.4	Very high	90.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-20.9	-173.5	68.3	0	0	0	0	114.7	R372 D468 I473 Y601	R372-S471 VanDerWaalsContact CD-O 3.28Å; R372-S471 WeakPolarHBondContact CD-O 3.49Å; R372-S471 VanDerWaalsContact CZ-O 3.23Å; R372-S471 PolarHBondContact NE-O 3.45Å; D468-S471 WeakPolarHBondContact CB-OG 3.34Å; D468-S471 PolarHBondContact OD1-N 3.13Å; D468-S471 VanDerWaalsContact OD1-N 3.16Å; D468-S471 WeakPolarHBondContact OD2-CB 3.48Å; D468-S471 PolarHBondContact OD2-OG 3.3Å; S471-I473 VanDerWaalsContact C-N 3.29Å; S471-I473 PolarHBondContact O-N 2.98Å; S471-I473 WeakPolarHBondContact OG-CG1 3.27Å; S471-Y601 VanDerWaalsContact CB-CE1 3.47Å
472	G	92.1	Very high	90.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.			trans	72.3	15.8	-176.7	0	0	0	0	0	114.8	R372 H377 V380 A381 D468	R372-G472 WeakPolarHBondContact CG-O 3.32Å; H377-G472 WeakPolarHBondContact ND1-CA 3.4Å; H377-G472 PolarHBondContact NE2-N 3.34Å; V380-G472 WeakPolarHBondContact CG1-O 3.5Å; A381-G472 WeakPolarHBondContact CB-O 3.32Å; D468-G472 WeakPolarHBondContact O-CA 3.14Å; D468-G472 PolarHBondContact O-N 3.33Å
473	I	94	Very high	90.9	Very high	4 Å²	4	20 Å²	20	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-98.8	159.8	167.7	59.3	151.8	0	0	0	110.5	Y369 R372 V402 T406 D468 S471	Y369-I473 HydrophobicContact CD1-CG2 3.94Å; Y369-I473 HydrophobicContact CE1-CD1 3.78Å; Y369-I473 HydrophobicContact CE1-CG1 4.18Å; Y369-I473 HydrophobicContact CE1-CG2 4.22Å; R372-I473 HydrophobicContact CB-CG2 3.76Å; R372-I473 HydrophobicContact CG-CG2 3.98Å; V402-I473 HydrophobicContact CG1-CB 3.55Å; V402-I473 HydrophobicContact CG1-CG2 3.63Å; T406-I473 HydrophobicContact CG2-CD1 3.97Å; D468-I473 WeakPolarHBondContact CB-O 3.27Å; D468-I473 PolarHBondContact N-O 3.41Å; S471-I473 VanDerWaalsContact C-N 3.29Å; S471-I473 PolarHBondContact O-N 2.98Å; S471-I473 WeakPolarHBondContact OG-CG1 3.27Å
474	C	94.2	Very high	91.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.2	166.6	-68.4	0	0	0	0	111	C399 F403 V465 D466	C399-C474 VanDerWaalsContact CA-SG 3.5Å; C399-C474 HydrophobicContact CB-CB 4.07Å; C399-C474 WeakPolarHBondContact CB-SG 3.26Å; C399-C474 WeakPolarHBondContact O-CB 3.31Å; C399-C474 WeakPolarHBondContact SG-CB 3.43Å; C399-C474 CovalentContact SG-SG 2.03Å; C399-C474 PolarHBondContact SG-SG 3.05Å; F403-C474 WeakPolarHBondContact CA-O 3.27Å; F403-C474 HydrophobicContact CB-CB 4.27Å; V465-C474 HydrophobicContact CG1-CB 3.92Å; D466-C474 WeakPolarHBondContact O-CA 3.48Å
475	S	94.4	Very high	91.6	Very high	22 Å²	22	22.1 Å²	22.1	15%	0.154	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	-157	-178.2	-166.5	0	0	0	0	109.8	V465 D466	V465-S475 VanDerWaalsContact CA-O 3.31Å; V465-S475 WeakPolarHBondContact CA-O 3.36Å; V465-S475 WeakPolarHBondContact CG1-O 3.47Å; D466-S475 PolarHBondContact N-O 2.9Å; D466-S475 PolarHBondContact O-N 3.17Å
476	V	93.7	Very high	91.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.151	C	C	.	.	S	Bend	trans	-130.7	133.9	173.4	49.8	0	0	0	0	110.4	F403 Y407 I459 A464 F487 V488	F403-V476 HydrophobicContact CE2-CB 4.29Å; F403-V476 HydrophobicContact CE2-CG1 4.21Å; Y407-V476 HydrophobicContact CD2-CG1 3.59Å; Y407-V476 HydrophobicContact CE2-CG1 3.61Å; Y407-V476 HydrophobicContact CG-CG1 4.46Å; I459-V476 HydrophobicContact CD1-CB 4.45Å; I459-V476 HydrophobicContact CD1-CG1 4.03Å; I459-V476 HydrophobicContact CD1-CG2 4.42Å; I459-V476 HydrophobicContact CG1-CG2 4.23Å; I459-V476 HydrophobicContact CG2-CB 3.96Å; I459-V476 HydrophobicContact CG2-CG2 3.91Å; A464-V476 HydrophobicContact CB-CG2 4.47Å; A464-V476 WeakPolarHBondContact O-CG2 3.41Å; V476-F487 HydrophobicContact CG1-CB 4.48Å; V476-F487 HydrophobicContact CG2-CB 4.19Å; V476-F487 HydrophobicContact CG2-CD2 4.44Å; V476-V488 HydrophobicContact CG1-CG2 3.8Å
477	G	91.1	Very high	92.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	81.3	19.9	173.5	0	0	0	0	0	114.9	D466 T479 D480 T483 R561	D466-G477 PolarHBondContact OD1-N 3.29Å; G477-T479 VanDerWaalsContact C-N 3.33Å; G477-D480 WeakPolarHBondContact CA-O 3.44Å; G477-T483 WeakPolarHBondContact CA-OG1 3.37Å; G477-R561 PolarHBondContact O-NH1 3.32Å; G477-R561 PolarHBondContact O-NH2 3.26Å
478	N	89.6	Confident	92.3	Very high	31 Å²	31	32.4 Å²	32.4	17%	0.166	16%	0.158	C	C	.	.	S	Bend	trans	-63.3	-44	169.5	-62.7	-64.1	0	0	0	110.1	D466 R561	D466-N478 PolarHBondContact O-ND2 3.38Å; D466-N478 VanDerWaalsContact O-ND2 3.11Å; D466-N478 WeakPolarHBondContact OD1-CB 3.19Å; D466-N478 PolarHBondContact OD1-N 3.13Å; D466-N478 PolarHBondContact OD1-ND2 2.9Å; D466-N478 PolarHBondContact OD2-N 3.21Å; N478-R561 PolarHBondContact O-NH1 3.16Å
479	T	85.6	Confident	92.6	Very high	41 Å²	41	32.4 Å²	32.4	25%	0.252	16%	0.158	S	C	.	.	S	Bend	trans	-80.7	-63.2	174.5	54.5	0	0	0	0	111.5	Y304 I387 D466 G477 R561	Y304-T479 HydrophobicContact CD2-CG2 4.04Å; Y304-T479 HydrophobicContact CE2-CG2 4.42Å; I387-T479 HydrophobicContact CD1-CG2 3.42Å; I387-T479 VanDerWaalsContact CD1-CG2 3.42Å; D466-T479 HydrophobicContact CB-CG2 4.43Å; D466-T479 WeakPolarHBondContact OD2-CB 3.32Å; D466-T479 WeakPolarHBondContact OD2-CG2 3.38Å; D466-T479 PolarHBondContact OD2-N 3.43Å; D466-T479 PolarHBondContact OD2-OG1 3.32Å; G477-T479 VanDerWaalsContact C-N 3.33Å; T479-R561 PolarHBondContact O-NH1 3.07Å
480	D	87.4	Confident	93	Very high	57 Å²	57	33.5 Å²	33.5	31%	0.305	17%	0.171	S	C	.	.			trans	-89.5	126.9	-171.3	164.1	47.9	0	0	0	113.9	G477 T482 T483 L484	G477-D480 WeakPolarHBondContact CA-O 3.44Å; D480-T482 VanDerWaalsContact C-N 3.27Å; D480-T482 VanDerWaalsContact CG-N 3.33Å; D480-T482 PolarHBondContact O-N 2.86Å; D480-T482 WeakPolarHBondContact OD1-CA 3.49Å; D480-T482 WeakPolarHBondContact OD1-CB 3.43Å; D480-T482 PolarHBondContact OD1-N 3.22Å; D480-T482 PolarHBondContact OD1-OG1 2.88Å; D480-T482 WeakPolarHBondContact OD2-CB 3.03Å; D480-T482 PolarHBondContact OD2-N 3.33Å; D480-T483 WeakPolarHBondContact CB-OG1 3.35Å; D480-T483 PolarHBondContact O-OG1 3.4Å; D480-T483 VanDerWaalsContact OD2-CB 3.28Å; D480-T483 WeakPolarHBondContact OD2-CB 3.5Å; D480-T483 WeakPolarHBondContact OD2-CG2 3.39Å; D480-T483 PolarHBondContact OD2-N 2.57Å; D480-T483 PolarHBondContact OD2-OG1 3.3Å; D480-L484 PolarHBondContact O-N 3.11Å
481	V	90.2	Very high	93.4	Very high	34 Å²	34	32.4 Å²	32.4	21%	0.206	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-31.2	175.8	-179.4	0	0	0	0	111.9	R485 Q558 R561	V481-R485 VanDerWaalsContact O-CB 3.31Å; V481-R485 WeakPolarHBondContact O-CB 2.85Å; V481-R485 PolarHBondContact O-N 2.87Å; V481-Q558 HydrophobicContact CG1-CG 3.95Å; V481-R561 HydrophobicContact CG2-CG 4.43Å
482	T	92.1	Very high	93.7	Very high	74 Å²	74	33.4 Å²	33.4	45%	0.454	17%	0.172	S	C	.	.	H	α-helix	trans	-69.8	-49.8	-174.4	-40.9	0	0	0	0	111.1	D480 R485 W486	D480-T482 VanDerWaalsContact C-N 3.27Å; D480-T482 VanDerWaalsContact CG-N 3.33Å; D480-T482 PolarHBondContact O-N 2.86Å; D480-T482 WeakPolarHBondContact OD1-CA 3.49Å; D480-T482 WeakPolarHBondContact OD1-CB 3.43Å; D480-T482 PolarHBondContact OD1-N 3.22Å; D480-T482 PolarHBondContact OD1-OG1 2.88Å; D480-T482 WeakPolarHBondContact OD2-CB 3.03Å; D480-T482 PolarHBondContact OD2-N 3.33Å; T482-R485 WeakPolarHBondContact O-CB 3.48Å; T482-R485 PolarHBondContact O-N 3.29Å; T482-W486 VanDerWaalsContact O-CD1 3.24Å; T482-W486 PolarHBondContact O-N 3.48Å
483	T	92.8	Very high	93.9	Very high	20 Å²	20	38.6 Å²	38.6	12%	0.123	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-39	174.6	45.8	0	0	0	0	111.5	A464 G477 D480 R485 W486 F487	A464-T483 HydrophobicContact CB-CG2 3.81Å; G477-T483 WeakPolarHBondContact CA-OG1 3.37Å; D480-T483 WeakPolarHBondContact CB-OG1 3.35Å; D480-T483 PolarHBondContact O-OG1 3.4Å; D480-T483 VanDerWaalsContact OD2-CB 3.28Å; D480-T483 WeakPolarHBondContact OD2-CB 3.5Å; D480-T483 WeakPolarHBondContact OD2-CG2 3.39Å; D480-T483 PolarHBondContact OD2-N 2.57Å; D480-T483 PolarHBondContact OD2-OG1 3.3Å; T483-R485 VanDerWaalsContact C-N 3.34Å; T483-R485 PolarHBondContact O-N 3.05Å; T483-W486 PolarHBondContact O-N 2.68Å; T483-F487 HydrophobicContact CG2-CD2 4.07Å; T483-F487 HydrophobicContact CG2-CE2 4.13Å; T483-F487 WeakPolarHBondContact O-CB 3.44Å; T483-F487 PolarHBondContact O-N 3.49Å
484	L	94.5	Very high	94.1	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.215	C	C	.	.	I	π-helix	trans	-57	-48.1	170.6	-171.6	75.7	0	0	0	111.2	D480 W486 V488 L489 Y554	D480-L484 PolarHBondContact O-N 3.11Å; L484-W486 PolarHBondContact O-N 2.91Å; L484-V488 HydrophobicContact CD1-CB 3.85Å; L484-V488 HydrophobicContact CD1-CG1 4.2Å; L484-V488 HydrophobicContact CD1-CG2 3.91Å; L484-V488 HydrophobicContact CG-CB 4.44Å; L484-V488 WeakPolarHBondContact O-CA 3.39Å; L484-V488 WeakPolarHBondContact O-CB 3.48Å; L484-V488 PolarHBondContact O-N 3.43Å; L484-L489 PolarHBondContact O-N 3.12Å; L484-Y554 HydrophobicContact CD1-CD1 3.84Å; L484-Y554 HydrophobicContact CD1-CE1 3.99Å; L484-Y554 HydrophobicContact CD2-CD1 4.22Å
485	R	95.6	Very high	94.3	Very high	119 Å²	119	42.1 Å²	42.1	45%	0.449	22%	0.219	S	C	.	.	I	π-helix	trans	-59.3	-49.3	-178.6	-176.7	178.4	-62.3	156.3	9	112.2	V481 T482 T483 G490 Q558	V481-R485 VanDerWaalsContact O-CB 3.31Å; V481-R485 WeakPolarHBondContact O-CB 2.85Å; V481-R485 PolarHBondContact O-N 2.87Å; T482-R485 WeakPolarHBondContact O-CB 3.48Å; T482-R485 PolarHBondContact O-N 3.29Å; T483-R485 VanDerWaalsContact C-N 3.34Å; T483-R485 PolarHBondContact O-N 3.05Å; R485-G490 PolarHBondContact O-N 3.16Å; R485-Q558 VanDerWaalsContact NH2-OE1 3.12Å
486	W	95.7	Very high	94.4	Very high	184 Å²	184	42 Å²	42	70%	0.697	22%	0.217	S	C	*	.	I	π-helix	trans	-84.5	-34.1	-173.4	-72.1	112.7	0	0	0	114.5	T482 T483 L484 P491	T482-W486 VanDerWaalsContact O-CD1 3.24Å; T482-W486 PolarHBondContact O-N 3.48Å; T483-W486 PolarHBondContact O-N 2.68Å; L484-W486 PolarHBondContact O-N 2.91Å; W486-P491 WeakPolarHBondContact O-CD 3.24Å; W486-P491 WeakPolarHBondContact O-CG 3.33Å
487	F	97.1	Very high	94.6	Very high	32 Å²	32	45.6 Å²	45.6	14%	0.14	24%	0.239	C	C	.	.	I	π-helix	trans	-100.5	-18.1	-175.7	-64.9	-68.3	0	0	0	114.5	Y407 M411 A458 I459 L462 V476 T483	Y407-F487 WeakPolarHBondContact CE2-O 3.29Å; Y407-F487 PolarHBondContact OH-O 2.02Å; M411-F487 WeakPolarHBondContact CE-O 3.49Å; A458-F487 HydrophobicContact CB-CE1 3.87Å; A458-F487 HydrophobicContact CB-CZ 4.24Å; I459-F487 HydrophobicContact CD1-CB 3.95Å; I459-F487 HydrophobicContact CD1-CD1 4Å; I459-F487 HydrophobicContact CD1-CG 4.03Å; I459-F487 HydrophobicContact CG1-CB 4.03Å; I459-F487 HydrophobicContact CG1-CD1 3.58Å; I459-F487 HydrophobicContact CG1-CD2 4.02Å; I459-F487 HydrophobicContact CG1-CE1 4.02Å; I459-F487 HydrophobicContact CG1-CE2 4.41Å; I459-F487 HydrophobicContact CG1-CG 3.59Å; I459-F487 HydrophobicContact CG1-CZ 4.41Å; L462-F487 HydrophobicContact CD1-CE2 3.7Å; L462-F487 HydrophobicContact CD1-CZ 3.62Å; V476-F487 HydrophobicContact CG1-CB 4.48Å; V476-F487 HydrophobicContact CG2-CB 4.19Å; V476-F487 HydrophobicContact CG2-CD2 4.44Å; T483-F487 HydrophobicContact CG2-CD2 4.07Å; T483-F487 HydrophobicContact CG2-CE2 4.13Å; T483-F487 WeakPolarHBondContact O-CB 3.44Å; T483-F487 PolarHBondContact O-N 3.49Å
488	V	97.3	Very high	94.9	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	26%	0.258	C	S	.	.	I	π-helix	trans	-117	-64.6	178.6	-173.3	0	0	0	0	111.4	Y407 V476 L484 L492 Y554	Y407-V488 HydrophobicContact CE2-CG2 4.29Å; V476-V488 HydrophobicContact CG1-CG2 3.8Å; L484-V488 HydrophobicContact CD1-CB 3.85Å; L484-V488 HydrophobicContact CD1-CG1 4.2Å; L484-V488 HydrophobicContact CD1-CG2 3.91Å; L484-V488 HydrophobicContact CG-CB 4.44Å; L484-V488 WeakPolarHBondContact O-CA 3.39Å; L484-V488 WeakPolarHBondContact O-CB 3.48Å; L484-V488 PolarHBondContact O-N 3.43Å; V488-L492 HydrophobicContact CG1-CD1 3.83Å; V488-L492 VanDerWaalsContact O-CG 3.29Å; V488-L492 WeakPolarHBondContact O-CG 2.94Å; V488-L492 PolarHBondContact O-N 2.89Å; V488-Y554 HydrophobicContact CG1-CD1 4.47Å; V488-Y554 HydrophobicContact CG1-CD2 3.88Å; V488-Y554 HydrophobicContact CG1-CE1 4.13Å; V488-Y554 HydrophobicContact CG1-CE2 3.48Å; V488-Y554 VanDerWaalsContact CG1-CE2 3.48Å; V488-Y554 HydrophobicContact CG1-CG 4.36Å
489	L	97	Very high	95.3	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	25%	0.25	C	C	.	.	I	π-helix	trans	-68.9	-53.3	-166.7	-177	59.1	0	0	0	113.3	L484 L492 F493 I551 F555 Q558	L484-L489 PolarHBondContact O-N 3.12Å; L489-L492 PolarHBondContact O-N 2.94Å; L489-F493 WeakPolarHBondContact O-CB 3.5Å; L489-F493 PolarHBondContact O-N 3.07Å; L489-I551 HydrophobicContact CD1-CG2 4.03Å; L489-F555 HydrophobicContact CD1-CD2 3.89Å; L489-F555 HydrophobicContact CD1-CE2 3.82Å; L489-F555 HydrophobicContact CD1-CG 4.42Å; L489-F555 HydrophobicContact CD1-CZ 4.29Å; L489-F555 HydrophobicContact CD2-CD1 4.06Å; L489-F555 HydrophobicContact CD2-CD2 4.48Å; L489-F555 HydrophobicContact CD2-CE1 3.95Å; L489-F555 HydrophobicContact CD2-CE2 4.39Å; L489-F555 HydrophobicContact CD2-CG 4.32Å; L489-F555 HydrophobicContact CD2-CZ 4.12Å; L489-F555 HydrophobicContact CG-CE2 4.43Å; L489-F555 HydrophobicContact CG-CZ 4.42Å; L489-Q558 VanDerWaalsContact CD2-NE2 3.32Å
490	G	96.9	Very high	95.8	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-55.9	-49.4	177.1	0	0	0	0	0	112.9	R485 F493 A494	R485-G490 PolarHBondContact O-N 3.16Å; G490-F493 PolarHBondContact O-N 2.77Å; G490-A494 WeakPolarHBondContact O-CB 3.4Å; G490-A494 PolarHBondContact O-N 2.63Å
491	P	97.8	Very high	96.3	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.071	26%	0.264	C	S	.	.	H	α-helix	trans	-49.1	-56.2	168.8	-38.2	43.4	0	0	0	115.5	M411 K455 W486 F493 A494 Y495	M411-P491 HydrophobicContact CE-CB 4.06Å; M411-P491 HydrophobicContact SD-CB 3.85Å; K455-P491 HydrophobicContact CD-CG 4.42Å; W486-P491 WeakPolarHBondContact O-CD 3.24Å; W486-P491 WeakPolarHBondContact O-CG 3.33Å; P491-F493 VanDerWaalsContact C-N 3.35Å; P491-F493 PolarHBondContact O-N 2.9Å; P491-A494 PolarHBondContact O-N 2.82Å; P491-Y495 HydrophobicContact CB-CE2 4.36Å; P491-Y495 WeakPolarHBondContact O-CD2 3.12Å; P491-Y495 VanDerWaalsContact O-CG 3.25Å; P491-Y495 PolarHBondContact O-N 3.19Å
492	L	97.5	Very high	96.5	Very high	21 Å²	21	51.4 Å²	51.4	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-40.4	-176.5	-69.1	173.7	0	0	0	111.3	M411 S414 V488 L489 Y495 L496 L550 I551 Y554	M411-L492 HydrophobicContact CE-CD2 4.22Å; M411-L492 HydrophobicContact CE-CG 4.1Å; S414-L492 WeakPolarHBondContact OG-CD2 3.05Å; V488-L492 HydrophobicContact CG1-CD1 3.83Å; V488-L492 VanDerWaalsContact O-CG 3.29Å; V488-L492 WeakPolarHBondContact O-CG 2.94Å; V488-L492 PolarHBondContact O-N 2.89Å; L489-L492 PolarHBondContact O-N 2.94Å; L492-Y495 PolarHBondContact O-N 3.27Å; L492-L496 WeakPolarHBondContact O-CB 3.41Å; L492-L496 PolarHBondContact O-N 3.47Å; L492-L550 HydrophobicContact CD1-CD2 4.38Å; L492-I551 HydrophobicContact CB-CD1 3.96Å; L492-I551 HydrophobicContact CB-CG1 3.83Å; L492-Y554 HydrophobicContact CD1-CD2 4.07Å; L492-Y554 HydrophobicContact CD1-CE2 3.78Å
493	F	97.8	Very high	96.6	Very high	108 Å²	108	48.6 Å²	48.6	47%	0.474	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-47.7	175.5	-176.6	-97.9	0	0	0	112.2	L489 G490 P491 Y495 L496 V497	L489-F493 WeakPolarHBondContact O-CB 3.5Å; L489-F493 PolarHBondContact O-N 3.07Å; G490-F493 PolarHBondContact O-N 2.77Å; P491-F493 VanDerWaalsContact C-N 3.35Å; P491-F493 PolarHBondContact O-N 2.9Å; F493-Y495 VanDerWaalsContact C-N 3.35Å; F493-Y495 PolarHBondContact O-N 3.45Å; F493-L496 PolarHBondContact O-N 2.9Å; F493-V497 HydrophobicContact CD1-CG2 4.23Å; F493-V497 HydrophobicContact CE1-CG2 3.86Å; F493-V497 HydrophobicContact CE2-CG2 4.22Å; F493-V497 HydrophobicContact CZ-CG2 3.85Å; F493-V497 WeakPolarHBondContact O-CG2 3.49Å; F493-V497 PolarHBondContact O-N 3.49Å
494	A	98	Very high	96.7	Very high	56 Å²	56	52.8 Å²	52.8	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-40.4	178.3	0	0	0	0	0	112.4	G490 P491 L498	G490-A494 WeakPolarHBondContact O-CB 3.4Å; G490-A494 PolarHBondContact O-N 2.63Å; P491-A494 PolarHBondContact O-N 2.82Å; A494-L498 WeakPolarHBondContact O-CB 3.41Å; A494-L498 PolarHBondContact O-N 3.04Å; A494-L498 VanDerWaalsContact O-N 3.13Å
495	Y	97.9	Very high	96.7	Very high	22 Å²	22	53.8 Å²	53.8	9%	0.086	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-45.3	174.2	-63.5	-36.8	0	0	0	111.9	M411 V415 W417 V418 L451 K455 P491 L492 F493 V497 L498 G499	M411-Y495 HydrophobicContact SD-CE2 4.15Å; V415-Y495 HydrophobicContact CG2-CD1 4.27Å; V415-Y495 HydrophobicContact CG2-CD2 4.48Å; V415-Y495 HydrophobicContact CG2-CE1 3.63Å; V415-Y495 HydrophobicContact CG2-CE2 3.87Å; V415-Y495 WeakPolarHBondContact CG2-OH 3.32Å; W417-Y495 WeakPolarHBondContact CZ3-O 3.48Å; V418-Y495 VanDerWaalsContact CG2-O 3.3Å; V418-Y495 WeakPolarHBondContact CG2-O 3.29Å; L451-Y495 HydrophobicContact CD1-CE1 4.41Å; K455-Y495 PolarHBondContact NZ-OH 2.86Å; P491-Y495 HydrophobicContact CB-CE2 4.36Å; P491-Y495 WeakPolarHBondContact O-CD2 3.12Å; P491-Y495 VanDerWaalsContact O-CG 3.25Å; P491-Y495 PolarHBondContact O-N 3.19Å; L492-Y495 PolarHBondContact O-N 3.27Å; F493-Y495 VanDerWaalsContact C-N 3.35Å; F493-Y495 PolarHBondContact O-N 3.45Å; Y495-V497 PolarHBondContact O-N 3.24Å; Y495-L498 PolarHBondContact O-N 3.43Å; Y495-G499 PolarHBondContact O-N 3.22Å
496	L	97.4	Very high	96.4	Very high	20 Å²	20	48.1 Å²	48.1	11%	0.105	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-51.3	176.8	179.6	67.5	0	0	0	111.4	W417 L492 F493 L498 G499 V500 T544 A547 T548 I551	W417-L496 HydrophobicContact CH2-CD1 4.09Å; W417-L496 HydrophobicContact CZ3-CD1 4.47Å; L492-L496 WeakPolarHBondContact O-CB 3.41Å; L492-L496 PolarHBondContact O-N 3.47Å; F493-L496 PolarHBondContact O-N 2.9Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-L498 PolarHBondContact O-N 2.89Å; L496-G499 PolarHBondContact O-N 3Å; L496-V500 HydrophobicContact CD1-CG2 3.91Å; L496-V500 HydrophobicContact CG-CG2 4.26Å; L496-V500 WeakPolarHBondContact O-CB 3.29Å; L496-V500 VanDerWaalsContact O-CG2 3.27Å; L496-V500 WeakPolarHBondContact O-CG2 3.42Å; L496-V500 PolarHBondContact O-N 3.33Å; L496-T544 HydrophobicContact CD1-CG2 4.42Å; L496-A547 HydrophobicContact CD1-CB 4.24Å; L496-T548 HydrophobicContact CD1-CG2 4.26Å; L496-T548 HydrophobicContact CD2-CG2 3.58Å; L496-I551 HydrophobicContact CB-CD1 3.95Å; L496-I551 HydrophobicContact CD2-CD1 3.68Å; L496-I551 HydrophobicContact CG-CD1 4.41Å
497	V	98	Very high	96.1	Very high	77 Å²	77	45.4 Å²	45.4	47%	0.467	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-45.2	179.8	170.2	0	0	0	0	111.2	F493 Y495 V500 F501	F493-V497 HydrophobicContact CD1-CG2 4.23Å; F493-V497 HydrophobicContact CE1-CG2 3.86Å; F493-V497 HydrophobicContact CE2-CG2 4.22Å; F493-V497 HydrophobicContact CZ-CG2 3.85Å; F493-V497 WeakPolarHBondContact O-CG2 3.49Å; F493-V497 PolarHBondContact O-N 3.49Å; Y495-V497 PolarHBondContact O-N 3.24Å; V497-V500 PolarHBondContact O-N 2.8Å; V497-F501 WeakPolarHBondContact O-CB 3.44Å; V497-F501 PolarHBondContact O-N 3.39Å
498	L	97.7	Very high	95.8	Very high	78 Å²	78	48.5 Å²	48.5	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-41.4	-179.4	-177.9	57.4	0	0	0	112.7	V418 A494 Y495 L496 F502	V418-L498 HydrophobicContact CG1-CD2 3.82Å; V418-L498 HydrophobicContact CG1-CG 3.86Å; A494-L498 WeakPolarHBondContact O-CB 3.41Å; A494-L498 PolarHBondContact O-N 3.04Å; A494-L498 VanDerWaalsContact O-N 3.13Å; Y495-L498 PolarHBondContact O-N 3.43Å; L496-L498 VanDerWaalsContact C-N 3.34Å; L496-L498 PolarHBondContact O-N 2.89Å; L498-F502 HydrophobicContact CD1-CD2 4.3Å; L498-F502 HydrophobicContact CD1-CE2 3.55Å; L498-F502 HydrophobicContact CD1-CZ 3.92Å; L498-F502 HydrophobicContact CG-CD2 4.36Å; L498-F502 HydrophobicContact CG-CE2 3.8Å; L498-F502 WeakPolarHBondContact O-CD2 3.4Å; L498-F502 PolarHBondContact O-N 3.46Å
499	G	96.9	Very high	95.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-71.3	-38.6	176.1	0	0	0	0	0	113	Y495 L496 F501 F502 L503	Y495-G499 PolarHBondContact O-N 3.22Å; L496-G499 PolarHBondContact O-N 3Å; G499-F501 VanDerWaalsContact C-N 3.33Å; G499-F501 PolarHBondContact O-N 3.31Å; G499-F502 PolarHBondContact O-N 2.99Å; G499-L503 WeakPolarHBondContact O-CG 3.3Å; G499-L503 PolarHBondContact O-N 2.95Å
500	V	96.6	Very high	94.5	Very high	50 Å²	50	51 Å²	51	30%	0.303	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-39.9	173.4	168.4	0	0	0	0	110.9	W417 L496 V497 F502 L503 L504 T544	W417-V500 HydrophobicContact CH2-CG2 4.29Å; L496-V500 HydrophobicContact CD1-CG2 3.91Å; L496-V500 HydrophobicContact CG-CG2 4.26Å; L496-V500 WeakPolarHBondContact O-CB 3.29Å; L496-V500 VanDerWaalsContact O-CG2 3.27Å; L496-V500 WeakPolarHBondContact O-CG2 3.42Å; L496-V500 PolarHBondContact O-N 3.33Å; V497-V500 PolarHBondContact O-N 2.8Å; V500-F502 PolarHBondContact O-N 3.15Å; V500-L503 PolarHBondContact O-N 3.44Å; V500-L504 HydrophobicContact CG1-CD1 3.89Å; V500-L504 HydrophobicContact CG1-CG 4.26Å; V500-L504 WeakPolarHBondContact O-CG 3.01Å; V500-L504 PolarHBondContact O-N 2.92Å; V500-T544 HydrophobicContact CG2-CG2 4.18Å
501	F	96.8	Very high	93.9	Very high	126 Å²	126	53.3 Å²	53.3	55%	0.553	29%	0.288	S	S	*	.	H	α-helix	trans	-56.4	-48.6	172.8	169.3	-97.3	0	0	0	112.1	V497 G499 L503 L504 A505	V497-F501 WeakPolarHBondContact O-CB 3.44Å; V497-F501 PolarHBondContact O-N 3.39Å; G499-F501 VanDerWaalsContact C-N 3.33Å; G499-F501 PolarHBondContact O-N 3.31Å; F501-L503 PolarHBondContact O-N 2.9Å; F501-L504 PolarHBondContact O-N 3.29Å; F501-A505 WeakPolarHBondContact O-CB 3.06Å; F501-A505 PolarHBondContact O-N 3.49Å
502	F	95.9	Very high	93.2	Very high	32 Å²	32	61.7 Å²	61.7	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-35.6	176.3	-67.2	-53.3	0	0	0	113	V418 A421 L422 F425 L498 G499 V500 A505 G506	V418-F502 HydrophobicContact CG1-CD2 4.45Å; V418-F502 HydrophobicContact CG1-CE2 4.31Å; A421-F502 HydrophobicContact CB-CB 3.98Å; L422-F502 HydrophobicContact CB-CD2 3.97Å; L422-F502 HydrophobicContact CB-CE2 4.05Å; L422-F502 HydrophobicContact CB-CG 4.34Å; L422-F502 HydrophobicContact CD1-CD1 4.14Å; L422-F502 HydrophobicContact CD1-CE1 3.76Å; L422-F502 HydrophobicContact CD1-CE2 4.24Å; L422-F502 HydrophobicContact CD1-CZ 3.83Å; F425-F502 HydrophobicContact CB-CB 4.3Å; F425-F502 AromaticContact CD1-CD1 3.92Å; F425-F502 HydrophobicContact CD1-CD1 3.92Å; F425-F502 HydrophobicContact CD1-CE1 4.44Å; F425-F502 HydrophobicContact CG-CD1 4.42Å; L498-F502 HydrophobicContact CD1-CD2 4.3Å; L498-F502 HydrophobicContact CD1-CE2 3.55Å; L498-F502 HydrophobicContact CD1-CZ 3.92Å; L498-F502 HydrophobicContact CG-CD2 4.36Å; L498-F502 HydrophobicContact CG-CE2 3.8Å; L498-F502 WeakPolarHBondContact O-CD2 3.4Å; L498-F502 PolarHBondContact O-N 3.46Å; G499-F502 PolarHBondContact O-N 2.99Å; V500-F502 PolarHBondContact O-N 3.15Å; F502-A505 PolarHBondContact O-N 3.06Å; F502-G506 PolarHBondContact O-N 3.28Å
503	L	94.4	Very high	92.2	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-65.4	-41.9	175.3	-71.6	175.7	0	0	0	112.5	W417 A421 W424 G499 V500 F501 F507 V541 T544	W417-L503 HydrophobicContact CZ2-CD1 3.72Å; A421-L503 HydrophobicContact CB-CD2 4.16Å; A421-L503 HydrophobicContact CB-CG 4.02Å; W424-L503 HydrophobicContact CE3-CD2 3.88Å; W424-L503 HydrophobicContact CZ3-CD2 3.94Å; W424-L503 WeakPolarHBondContact CZ3-O 3.29Å; G499-L503 WeakPolarHBondContact O-CG 3.3Å; G499-L503 PolarHBondContact O-N 2.95Å; V500-L503 PolarHBondContact O-N 3.44Å; F501-L503 PolarHBondContact O-N 2.9Å; L503-F507 VanDerWaalsContact O-CB 3.27Å; L503-F507 WeakPolarHBondContact O-CB 3.36Å; L503-F507 PolarHBondContact O-N 2.83Å; L503-V541 HydrophobicContact CD1-CG2 4.31Å; L503-T544 HydrophobicContact CD1-CG2 4.09Å
504	L	94	Very high	91	Very high	109 Å²	109	62.5 Å²	62.5	57%	0.571	32%	0.324	S	S	*	.	H	α-helix	trans	-66.3	-44.7	174.9	-68.5	171.9	0	0	0	111.3	V500 F501 G506 F507 V508	V500-L504 HydrophobicContact CG1-CD1 3.89Å; V500-L504 HydrophobicContact CG1-CG 4.26Å; V500-L504 WeakPolarHBondContact O-CG 3.01Å; V500-L504 PolarHBondContact O-N 2.92Å; F501-L504 PolarHBondContact O-N 3.29Å; L504-G506 PolarHBondContact O-N 2.92Å; L504-F507 PolarHBondContact O-N 3.38Å; L504-V508 WeakPolarHBondContact O-CB 3.36Å; L504-V508 WeakPolarHBondContact O-CG2 3.32Å; L504-V508 PolarHBondContact O-N 2.8Å
505	A	93.6	Very high	89.8	Confident	24 Å²	24	67.1 Å²	67.1	20%	0.198	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-43.2	177.4	0	0	0	0	0	112.5	F425 F501 F502 S509	F425-A505 HydrophobicContact CD2-CB 3.82Å; F425-A505 HydrophobicContact CE2-CB 3.77Å; F425-A505 HydrophobicContact CG-CB 4.47Å; F425-A505 HydrophobicContact CZ-CB 4.39Å; F501-A505 WeakPolarHBondContact O-CB 3.06Å; F501-A505 PolarHBondContact O-N 3.49Å; F502-A505 PolarHBondContact O-N 3.06Å; A505-S509 WeakPolarHBondContact O-CB 3.49Å; A505-S509 PolarHBondContact O-N 2.91Å; A505-S509 PolarHBondContact O-OG 2.97Å
506	G	90.7	Very high	88.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-69.1	-38.7	176.2	0	0	0	0	0	113	W424 F502 L504 S509 L510	W424-G506 VanDerWaalsContact CZ3-CA 3.46Å; F502-G506 PolarHBondContact O-N 3.28Å; L504-G506 PolarHBondContact O-N 2.92Å; G506-S509 PolarHBondContact O-N 3.36Å; G506-L510 WeakPolarHBondContact O-CB 3.46Å; G506-L510 WeakPolarHBondContact O-CG 3.32Å; G506-L510 PolarHBondContact O-N 3.25Å
507	F	89.3	Confident	87.1	Confident	128 Å²	128	72.3 Å²	72.3	56%	0.561	37%	0.366	S	S	*	.	H	α-helix	trans	-64.3	-48.5	176	-176.8	-98	0	0	0	112	W424 L503 L504 S509 L510 V511	W424-F507 HydrophobicContact CH2-CB 4.32Å; L503-F507 VanDerWaalsContact O-CB 3.27Å; L503-F507 WeakPolarHBondContact O-CB 3.36Å; L503-F507 PolarHBondContact O-N 2.83Å; L504-F507 PolarHBondContact O-N 3.38Å; F507-S509 VanDerWaalsContact C-N 3.25Å; F507-S509 PolarHBondContact O-N 2.99Å; F507-L510 PolarHBondContact O-N 3.49Å; F507-V511 HydrophobicContact CD1-CG2 4.26Å; F507-V511 HydrophobicContact CE1-CG2 3.86Å; F507-V511 HydrophobicContact CE2-CG2 4.43Å; F507-V511 HydrophobicContact CZ-CG2 3.96Å; F507-V511 WeakPolarHBondContact O-CG2 3.25Å; F507-V511 PolarHBondContact O-N 2.91Å
508	V	89.7	Confident	85.5	Confident	97 Å²	97	77.2 Å²	77.2	59%	0.588	38%	0.381	S	S	*	.	H	α-helix	trans	-58.4	-39.8	175.1	170	0	0	0	0	111.1	L504 R512	L504-V508 WeakPolarHBondContact O-CB 3.36Å; L504-V508 WeakPolarHBondContact O-CG2 3.32Å; L504-V508 PolarHBondContact O-N 2.8Å; V508-R512 WeakPolarHBondContact O-CB 3.42Å; V508-R512 PolarHBondContact O-N 2.8Å
509	S	85.9	Confident	83.7	Confident	28 Å²	28	81.9 Å²	81.9	20%	0.196	40%	0.4	C	S	.	.	H	α-helix	trans	-69	-41.3	178.6	-55.1	0	0	0	0	112.5	A505 G506 F507 R512 I513	A505-S509 WeakPolarHBondContact O-CB 3.49Å; A505-S509 PolarHBondContact O-N 2.91Å; A505-S509 PolarHBondContact O-OG 2.97Å; G506-S509 PolarHBondContact O-N 3.36Å; F507-S509 VanDerWaalsContact C-N 3.25Å; F507-S509 PolarHBondContact O-N 2.99Å; S509-R512 PolarHBondContact O-N 2.93Å; S509-I513 WeakPolarHBondContact O-CB 3.04Å; S509-I513 VanDerWaalsContact O-CG1 3.28Å; S509-I513 WeakPolarHBondContact O-CG1 3.42Å; S509-I513 PolarHBondContact O-N 3.22Å
510	L	82	Confident	82	Confident	36 Å²	36	89.3 Å²	89.3	19%	0.188	44%	0.435	C	S	.	.	H	α-helix	trans	-61	-46.4	173.4	-80.2	171.5	0	0	0	111.8	W424 A428 G506 F507 R512 I513 H514	W424-L510 HydrophobicContact CH2-CD1 4.05Å; W424-L510 HydrophobicContact CZ2-CD1 3.51Å; A428-L510 HydrophobicContact CB-CD1 4.1Å; A428-L510 HydrophobicContact CB-CD2 3.9Å; A428-L510 HydrophobicContact CB-CG 3.9Å; G506-L510 WeakPolarHBondContact O-CB 3.46Å; G506-L510 WeakPolarHBondContact O-CG 3.32Å; G506-L510 PolarHBondContact O-N 3.25Å; F507-L510 PolarHBondContact O-N 3.49Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 3.41Å; L510-I513 PolarHBondContact O-N 3.48Å; L510-H514 WeakPolarHBondContact O-CB 3.14Å; L510-H514 PolarHBondContact O-N 3.28Å
511	V	83.3	Confident	79.8	Confident	82 Å²	82	96.5 Å²	96.5	50%	0.497	47%	0.466	S	S	.	.	H	α-helix	trans	-59.9	-44.3	176.6	171.8	0	0	0	0	110.8	F507 H514 H515	F507-V511 HydrophobicContact CD1-CG2 4.26Å; F507-V511 HydrophobicContact CE1-CG2 3.86Å; F507-V511 HydrophobicContact CE2-CG2 4.43Å; F507-V511 HydrophobicContact CZ-CG2 3.96Å; F507-V511 WeakPolarHBondContact O-CG2 3.25Å; F507-V511 PolarHBondContact O-N 2.91Å; V511-H514 PolarHBondContact O-N 2.7Å; V511-H515 WeakPolarHBondContact O-CB 3.47Å; V511-H515 PolarHBondContact O-N 2.74Å
512	R	84.3	Confident	77.9	Confident	188 Å²	188	92.5 Å²	92.5	71%	0.709	46%	0.46	S	S	*	.	H	α-helix	trans	-62.1	-42.4	176.2	-173.3	176.6	-176.6	171.6	2.1	112.3	V508 S509 L510 I516	V508-R512 WeakPolarHBondContact O-CB 3.42Å; V508-R512 PolarHBondContact O-N 2.8Å; S509-R512 PolarHBondContact O-N 2.93Å; L510-R512 VanDerWaalsContact C-N 3.33Å; L510-R512 PolarHBondContact O-N 3.41Å; R512-I516 HydrophobicContact CG-CD1 4.28Å; R512-I516 WeakPolarHBondContact O-CD1 3.47Å; R512-I516 WeakPolarHBondContact O-CG1 3.32Å; R512-I516 PolarHBondContact O-N 3.07Å
513	I	75.5	Confident	76.2	Confident	42 Å²	42	95.2 Å²	95.2	22%	0.215	48%	0.479	C	S	.	.	H	α-helix	trans	-67.4	-48.8	178	-70.6	164.5	0	0	0	110.6	A428 K431 S509 L510 H515 I516 V517	A428-I513 VanDerWaalsContact O-CD1 3.28Å; A428-I513 WeakPolarHBondContact O-CD1 3.34Å; K431-I513 HydrophobicContact CG-CD1 4.41Å; S509-I513 WeakPolarHBondContact O-CB 3.04Å; S509-I513 VanDerWaalsContact O-CG1 3.28Å; S509-I513 WeakPolarHBondContact O-CG1 3.42Å; S509-I513 PolarHBondContact O-N 3.22Å; L510-I513 PolarHBondContact O-N 3.48Å; I513-H515 VanDerWaalsContact C-N 3.31Å; I513-H515 PolarHBondContact O-N 2.77Å; I513-I516 PolarHBondContact O-N 3.44Å; I513-I516 VanDerWaalsContact O-N 3.12Å; I513-V517 HydrophobicContact CG2-CG2 3.8Å; I513-V517 WeakPolarHBondContact O-CB 3.49Å; I513-V517 VanDerWaalsContact O-CG2 3.31Å; I513-V517 WeakPolarHBondContact O-CG2 3.04Å; I513-V517 PolarHBondContact O-N 3.11Å
514	H	73.2	Confident	74.6	Confident	104 Å²	104	97.1 Å²	97.1	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-34.5	-178.6	-176	-97.4	0	0	0	112.3	L510 V511 I516 K518 E530	L510-H514 WeakPolarHBondContact O-CB 3.14Å; L510-H514 PolarHBondContact O-N 3.28Å; V511-H514 PolarHBondContact O-N 2.7Å; H514-I516 VanDerWaalsContact C-N 3.35Å; H514-I516 PolarHBondContact O-N 2.64Å; H514-K518 WeakPolarHBondContact O-CB 3.49Å; H514-K518 PolarHBondContact O-N 3.2Å; H514-E530 IonicContact CD2-OE1 3.34Å; H514-E530 PolarHBondContact CD2-OE1 3.32Å
515	H	73.7	Confident	72.9	Confident	153 Å²	153	101 Å²	101	71%	0.708	51%	0.514	S	S	*	.	H	α-helix	trans	-62.7	-38.3	173.1	-170.1	82.5	0	0	0	112.8	V511 I513	V511-H515 WeakPolarHBondContact O-CB 3.47Å; V511-H515 PolarHBondContact O-N 2.74Å; I513-H515 VanDerWaalsContact C-N 3.31Å; I513-H515 PolarHBondContact O-N 2.77Å
516	I	73.8	Confident	71.6	Confident	98 Å²	98	104.1 Å²	104.1	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-79.6	-47.1	178.9	-64.1	166.2	0	0	0	111.4	R512 I513 H514 K518 Q519	R512-I516 HydrophobicContact CG-CD1 4.28Å; R512-I516 WeakPolarHBondContact O-CD1 3.47Å; R512-I516 WeakPolarHBondContact O-CG1 3.32Å; R512-I516 PolarHBondContact O-N 3.07Å; I513-I516 PolarHBondContact O-N 3.44Å; I513-I516 VanDerWaalsContact O-N 3.12Å; H514-I516 VanDerWaalsContact C-N 3.35Å; H514-I516 PolarHBondContact O-N 2.64Å; I516-K518 PolarHBondContact O-N 3.5Å; I516-Q519 PolarHBondContact O-N 3.12Å
517	V	64.7	Low	70.7	Confident	53 Å²	53	107.7 Å²	107.7	32%	0.321	54%	0.543	S	S	.	.	H	α-helix	trans	-67.9	-22.1	-173.2	171.9	0	0	0	0	112.5	I513 Q519 Q520	I513-V517 HydrophobicContact CG2-CG2 3.8Å; I513-V517 WeakPolarHBondContact O-CB 3.49Å; I513-V517 VanDerWaalsContact O-CG2 3.31Å; I513-V517 WeakPolarHBondContact O-CG2 3.04Å; I513-V517 PolarHBondContact O-N 3.11Å; V517-Q519 PolarHBondContact O-N 3.42Å; V517-Q520 PolarHBondContact O-N 2.76Å
518	K	62.5	Low	69.8	Low	180 Å²	180	109.4 Å²	109.4	78%	0.783	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-11.8	172.9	-164.4	170.8	-178.6	-178.2	0	113.9	H514 I516	H514-K518 WeakPolarHBondContact O-CB 3.49Å; H514-K518 PolarHBondContact O-N 3.2Å; I516-K518 PolarHBondContact O-N 3.5Å
519	Q	60.9	Low	68.9	Low	175 Å²	175	109 Å²	109	82%	0.818	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.5	173.4	-63.4	-173.7	-20.7	0	0	115	I516 V517	I516-Q519 PolarHBondContact O-N 3.12Å; V517-Q519 PolarHBondContact O-N 3.42Å
520	Q	60.5	Low	68.5	Low	156 Å²	156	111 Å²	111	73%	0.729	55%	0.551	S	S	*	*	S	Bend	trans	-131.4	123.5	-175.2	-68	-172.4	-20.5	0	0	113.2	V517 G522	V517-Q520 PolarHBondContact O-N 2.76Å; Q520-G522 PolarHBondContact O-N 3.43Å
521	Q	50.7	Low	68.5	Low	202 Å²	202	115.6 Å²	115.6	94%	0.944	57%	0.569	S	S	*	*			trans	-76.4	117.2	-178.2	-67.6	174	-51.6	0	0	111.8
522	G	56.8	Low	68.3	Low	42 Å²	42	114.2 Å²	114.2	43%	0.433	56%	0.559	S	S	.	*			trans	-157.7	27.9	178.6	0	0	0	0	0	113.8	Q520 G524	Q520-G522 PolarHBondContact O-N 3.43Å; G522-G524 PolarHBondContact O-N 3.13Å
523	V	60.8	Low	68.2	Low	89 Å²	89	106.2 Å²	106.2	54%	0.539	53%	0.53	S	S	.	.	H	α-helix	trans	-60.3	-56.1	-145.1	-174.6	0	0	0	0	115.3	K525 I526 E527	V523-K525 PolarHBondContact O-N 2.85Å; V523-K525 VanDerWaalsContact O-N 3.15Å; V523-I526 PolarHBondContact O-N 2.86Å; V523-E527 HydrophobicContact CG1-CG 4.03Å; V523-E527 WeakPolarHBondContact CG1-OE1 3.4Å; V523-E527 PolarHBondContact O-N 3.21Å
524	G	61.2	Low	68.7	Low	54 Å²	54	107.6 Å²	107.6	56%	0.557	54%	0.54	S	S	*	.	H	α-helix	trans	-68.2	-20.4	-156.8	0	0	0	0	0	118.2	G522	G522-G524 PolarHBondContact O-N 3.13Å
525	K	57.9	Low	69.4	Low	191 Å²	191	107.1 Å²	107.1	83%	0.83	53%	0.534	S	S	*	.	H	α-helix	trans	-94.4	-36.3	174.4	-76.2	-175	179.4	177.1	0	112.4	V523 K528	V523-K525 PolarHBondContact O-N 2.85Å; V523-K525 VanDerWaalsContact O-N 3.15Å; K525-K528 PolarHBondContact O-N 3.15Å
526	I	66.4	Low	70	Confident	89 Å²	89	99.9 Å²	99.9	46%	0.456	50%	0.5	S	S	.	.	H	α-helix	trans	-66.2	-44.2	-177.2	-61.3	176	0	0	0	110.3	V523 K528 L529 E530	V523-I526 PolarHBondContact O-N 2.86Å; I526-K528 PolarHBondContact O-N 3.29Å; I526-K528 VanDerWaalsContact O-N 3.09Å; I526-L529 PolarHBondContact O-N 2.88Å; I526-E530 PolarHBondContact O-N 2.85Å
527	E	71	Confident	70.8	Confident	74 Å²	74	95.5 Å²	95.5	35%	0.346	48%	0.48	S	S	.	.	H	α-helix	trans	-49	-40.3	177.7	-84	-168.8	-150.9	0	0	114.1	V523 K531	V523-E527 HydrophobicContact CG1-CG 4.03Å; V523-E527 WeakPolarHBondContact CG1-OE1 3.4Å; V523-E527 PolarHBondContact O-N 3.21Å; E527-K531 VanDerWaalsContact O-CB 3.25Å; E527-K531 WeakPolarHBondContact O-CB 3.43Å; E527-K531 WeakPolarHBondContact O-CD 3.33Å; E527-K531 WeakPolarHBondContact O-CG 3.36Å; E527-K531 PolarHBondContact O-N 3.21Å; E527-K531 IonicContact OE2-NZ 3.54Å; E527-K531 PolarHBondContact OE2-NZ 3.18Å
528	K	72.1	Confident	71.9	Confident	165 Å²	165	97.7 Å²	97.7	72%	0.717	49%	0.489	S	S	*	.	H	α-helix	trans	-71	-35.4	-175.4	-69.5	-177.9	-179.8	176.2	0	111.8	K525 I526 L532	K525-K528 PolarHBondContact O-N 3.15Å; I526-K528 PolarHBondContact O-N 3.29Å; I526-K528 VanDerWaalsContact O-N 3.09Å; K528-L532 PolarHBondContact O-N 3.34Å
529	L	69.8	Low	73.1	Confident	87 Å²	87	89.7 Å²	89.7	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-74.8	-42	175.8	-174.4	62.1	0	0	0	110.8	I526 L532 M533	I526-L529 PolarHBondContact O-N 2.88Å; L529-L532 WeakPolarHBondContact O-CB 3.02Å; L529-L532 PolarHBondContact O-N 2.99Å; L529-M533 HydrophobicContact CD1-CE 3.96Å; L529-M533 HydrophobicContact CD2-CE 4.01Å; L529-M533 HydrophobicContact CG-CE 3.81Å; L529-M533 HydrophobicContact CG-SD 4.28Å; L529-M533 WeakPolarHBondContact O-CG 3.27Å; L529-M533 PolarHBondContact O-N 2.96Å
530	E	77	Confident	74.5	Confident	71 Å²	71	81.3 Å²	81.3	33%	0.332	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175.6	-178.1	172.4	-151.1	0	0	111.9	H514 I526 L532 M533 V534	H514-E530 IonicContact CD2-OE1 3.34Å; H514-E530 PolarHBondContact CD2-OE1 3.32Å; I526-E530 PolarHBondContact O-N 2.85Å; E530-L532 PolarHBondContact O-N 3.09Å; E530-M533 PolarHBondContact O-N 3.08Å; E530-M533 VanDerWaalsContact O-N 3.12Å; E530-V534 HydrophobicContact CG-CG2 4.42Å; E530-V534 WeakPolarHBondContact O-CB 3.25Å; E530-V534 WeakPolarHBondContact O-CG2 3.48Å; E530-V534 PolarHBondContact O-N 2.99Å
531	K	81.6	Confident	75.9	Confident	132 Å²	132	77.6 Å²	77.6	57%	0.574	40%	0.402	S	S	*	.	H	α-helix	trans	-58.1	-34.5	175.7	-74.2	164.5	-178.5	172.3	0	112.2	E527 R535	E527-K531 VanDerWaalsContact O-CB 3.25Å; E527-K531 WeakPolarHBondContact O-CB 3.43Å; E527-K531 WeakPolarHBondContact O-CD 3.33Å; E527-K531 WeakPolarHBondContact O-CG 3.36Å; E527-K531 PolarHBondContact O-N 3.21Å; E527-K531 IonicContact OE2-NZ 3.54Å; E527-K531 PolarHBondContact OE2-NZ 3.18Å; K531-R535 WeakPolarHBondContact O-CB 3.15Å; K531-R535 PolarHBondContact O-N 3.07Å
532	L	80	Confident	77.9	Confident	53 Å²	53	72 Å²	72	28%	0.277	38%	0.378	S	S	.	.	H	α-helix	trans	-70.8	-48.6	172.9	177.3	58.9	0	0	0	112	E352 K528 L529 E530 V534 R535 I536 W614	E352-L532 HydrophobicContact CG-CD1 4.06Å; E352-L532 WeakPolarHBondContact OE1-CD1 3.46Å; K528-L532 PolarHBondContact O-N 3.34Å; L529-L532 WeakPolarHBondContact O-CB 3.02Å; L529-L532 PolarHBondContact O-N 2.99Å; E530-L532 PolarHBondContact O-N 3.09Å; L532-V534 PolarHBondContact O-N 3.24Å; L532-R535 WeakPolarHBondContact O-CB 3.14Å; L532-R535 PolarHBondContact O-N 2.83Å; L532-R535 VanDerWaalsContact O-N 3.14Å; L532-I536 HydrophobicContact CD1-CD1 4.05Å; L532-I536 HydrophobicContact CD1-CG1 4.21Å; L532-I536 HydrophobicContact CG-CD1 4.05Å; L532-I536 WeakPolarHBondContact O-CG1 3.27Å; L532-I536 PolarHBondContact O-N 2.97Å; L532-W614 HydrophobicContact CD1-CZ2 4.27Å
533	M	82.8	Confident	79.6	Confident	21 Å²	21	70.6 Å²	70.6	10%	0.103	36%	0.36	C	S	.	.	H	α-helix	trans	-61.2	-41.6	179.4	-72.8	177.2	174.3	0	0	112.2	W424 A427 A428 L529 E530 R535 I536 G537	W424-M533 PolarHBondContact NE1-O 2.89Å; A427-M533 HydrophobicContact CB-CE 3.77Å; A427-M533 VanDerWaalsContact O-CE 3.28Å; A427-M533 WeakPolarHBondContact O-CE 3.47Å; A428-M533 HydrophobicContact CB-SD 3.96Å; L529-M533 HydrophobicContact CD1-CE 3.96Å; L529-M533 HydrophobicContact CD2-CE 4.01Å; L529-M533 HydrophobicContact CG-CE 3.81Å; L529-M533 HydrophobicContact CG-SD 4.28Å; L529-M533 WeakPolarHBondContact O-CG 3.27Å; L529-M533 PolarHBondContact O-N 2.96Å; E530-M533 PolarHBondContact O-N 3.08Å; E530-M533 VanDerWaalsContact O-N 3.12Å; M533-R535 VanDerWaalsContact C-N 3.35Å; M533-R535 PolarHBondContact O-N 3.29Å; M533-I536 PolarHBondContact O-N 2.92Å; M533-G537 PolarHBondContact O-N 2.98Å
534	V	84.7	Confident	81.2	Confident	71 Å²	71	67.6 Å²	67.6	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-44.9	173.5	170.6	0	0	0	0	110.6	E530 L532 I536 G537 I538	E530-V534 HydrophobicContact CG-CG2 4.42Å; E530-V534 WeakPolarHBondContact O-CB 3.25Å; E530-V534 WeakPolarHBondContact O-CG2 3.48Å; E530-V534 PolarHBondContact O-N 2.99Å; L532-V534 PolarHBondContact O-N 3.24Å; V534-I536 PolarHBondContact O-N 3Å; V534-G537 PolarHBondContact O-N 2.76Å; V534-I538 HydrophobicContact CG1-CD1 3.83Å; V534-I538 WeakPolarHBondContact O-CG1 3.39Å; V534-I538 PolarHBondContact O-N 3.37Å
535	R	87.8	Confident	82.8	Confident	94 Å²	94	69.3 Å²	69.3	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-45.7	176.6	-157.8	-165.6	-177.4	-138.4	2.7	111.6	K531 L532 M533 I538 F539 W614	K531-R535 WeakPolarHBondContact O-CB 3.15Å; K531-R535 PolarHBondContact O-N 3.07Å; L532-R535 WeakPolarHBondContact O-CB 3.14Å; L532-R535 PolarHBondContact O-N 2.83Å; L532-R535 VanDerWaalsContact O-N 3.14Å; M533-R535 VanDerWaalsContact C-N 3.35Å; M533-R535 PolarHBondContact O-N 3.29Å; R535-I538 PolarHBondContact O-N 2.89Å; R535-F539 PolarHBondContact O-N 3.33Å; R535-W614 HydrophobicContact CB-CH2 3.76Å; R535-W614 HydrophobicContact CB-CZ3 4.12Å; R535-W614 HydrophobicContact CG-CE3 4.47Å; R535-W614 HydrophobicContact CG-CH2 3.55Å; R535-W614 HydrophobicContact CG-CZ3 3.53Å; R535-W614 VanDerWaalsContact CZ-O 3.3Å; R535-W614 VanDerWaalsContact NH1-CE2 3.29Å; R535-W614 PolarHBondContact NH1-O 3.44Å; R535-W614 PolarHBondContact NH2-O 3.3Å; R535-W614 WeakPolarHBondContact O-CZ3 3.45Å
536	I	87.7	Confident	84.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-40	179.6	-64.1	171.4	0	0	0	110.7	P351 E352 L420 W424 L532 M533 V534 F539 S540 W614	P351-I536 HydrophobicContact CG-CD1 3.88Å; E352-I536 HydrophobicContact CG-CD1 3.81Å; E352-I536 HydrophobicContact CG-CG1 4.37Å; L420-I536 HydrophobicContact CD1-CG2 3.93Å; L420-I536 HydrophobicContact CG-CG2 4.41Å; W424-I536 HydrophobicContact CB-CG2 4.15Å; W424-I536 HydrophobicContact CG-CG2 4.1Å; L532-I536 HydrophobicContact CD1-CD1 4.05Å; L532-I536 HydrophobicContact CD1-CG1 4.21Å; L532-I536 HydrophobicContact CG-CD1 4.05Å; L532-I536 WeakPolarHBondContact O-CG1 3.27Å; L532-I536 PolarHBondContact O-N 2.97Å; M533-I536 PolarHBondContact O-N 2.92Å; V534-I536 PolarHBondContact O-N 3Å; I536-F539 PolarHBondContact O-N 3.1Å; I536-S540 WeakPolarHBondContact O-CB 3.39Å; I536-S540 PolarHBondContact O-N 3.05Å; I536-S540 PolarHBondContact O-OG 3.3Å; I536-W614 HydrophobicContact CB-CH2 4.21Å; I536-W614 HydrophobicContact CG1-CH2 3.49Å; I536-W614 VanDerWaalsContact CG1-CH2 3.49Å; I536-W614 HydrophobicContact CG1-CZ2 3.76Å
537	G	89	Confident	86	Confident	7 Å²	7	57.4 Å²	57.4	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-48.1	175.4	0	0	0	0	0	111.9	M533 V534 F539 S540 V541	M533-G537 PolarHBondContact O-N 2.98Å; V534-G537 PolarHBondContact O-N 2.76Å; G537-F539 PolarHBondContact O-N 2.62Å; G537-S540 PolarHBondContact O-N 3.35Å; G537-V541 WeakPolarHBondContact O-CG2 3.42Å; G537-V541 PolarHBondContact O-N 3.32Å
538	I	89.1	Confident	87.2	Confident	99 Å²	99	57 Å²	57	51%	0.508	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-48.6	176.4	-68.2	164.3	0	0	0	111.1	V534 R535 S540 V541 L542	V534-I538 HydrophobicContact CG1-CD1 3.83Å; V534-I538 WeakPolarHBondContact O-CG1 3.39Å; V534-I538 PolarHBondContact O-N 3.37Å; R535-I538 PolarHBondContact O-N 2.89Å; I538-S540 VanDerWaalsContact C-N 3.32Å; I538-S540 PolarHBondContact O-N 3.15Å; I538-V541 PolarHBondContact O-N 3.42Å; I538-L542 HydrophobicContact CG2-CD1 4.05Å; I538-L542 HydrophobicContact CG2-CG 4.45Å; I538-L542 WeakPolarHBondContact O-CG 3.5Å; I538-L542 PolarHBondContact O-N 3.2Å
539	F	87.9	Confident	88.4	Confident	11 Å²	11	51.7 Å²	51.7	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-39.8	177.9	178	-95.4	0	0	0	112.3	I355 L358 L420 R535 I536 G537 V541 L542 Y543 W614	I355-F539 HydrophobicContact CB-CE1 4.43Å; I355-F539 HydrophobicContact CD1-CD1 3.89Å; I355-F539 HydrophobicContact CD1-CE1 4.22Å; I355-F539 HydrophobicContact CG1-CD1 4.02Å; I355-F539 HydrophobicContact CG1-CE1 3.89Å; I355-F539 HydrophobicContact CG2-CE1 3.9Å; I355-F539 HydrophobicContact CG2-CZ 4.02Å; L358-F539 HydrophobicContact CD2-CZ 4.38Å; L420-F539 HydrophobicContact CD2-CD1 3.82Å; L420-F539 HydrophobicContact CD2-CE1 3.97Å; R535-F539 PolarHBondContact O-N 3.33Å; I536-F539 PolarHBondContact O-N 3.1Å; G537-F539 PolarHBondContact O-N 2.62Å; F539-V541 VanDerWaalsContact C-N 3.33Å; F539-V541 PolarHBondContact O-N 3.01Å; F539-L542 PolarHBondContact O-N 3.49Å; F539-Y543 PolarHBondContact O-N 3.03Å; F539-W614 HydrophobicContact CB-CE3 3.84Å; F539-W614 HydrophobicContact CB-CZ3 3.66Å; F539-W614 HydrophobicContact CD2-CE3 4.19Å; F539-W614 AromaticContact CG-CE3 3.98Å; F539-W614 HydrophobicContact CG-CE3 3.98Å; F539-W614 HydrophobicContact CG-CZ3 4.28Å
540	S	89.2	Confident	89.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-32.2	178.8	-53	0	0	0	0	112.6	W417 L420 I536 G537 I538	W417-S540 PolarHBondContact NE1-O 3.14Å; L420-S540 WeakPolarHBondContact CD2-OG 3.41Å; I536-S540 WeakPolarHBondContact O-CB 3.39Å; I536-S540 PolarHBondContact O-N 3.05Å; I536-S540 PolarHBondContact O-OG 3.3Å; G537-S540 PolarHBondContact O-N 3.35Å; I538-S540 VanDerWaalsContact C-N 3.32Å; I538-S540 PolarHBondContact O-N 3.15Å
541	V	90.8	Very high	90.6	Very high	77 Å²	77	45.8 Å²	45.8	47%	0.467	24%	0.239	S	C	.	.	H	α-helix	trans	-72.8	-39.5	171.1	170.9	0	0	0	0	111.4	L503 G537 I538 F539 Y543 T544	L503-V541 HydrophobicContact CD1-CG2 4.31Å; G537-V541 WeakPolarHBondContact O-CG2 3.42Å; G537-V541 PolarHBondContact O-N 3.32Å; I538-V541 PolarHBondContact O-N 3.42Å; F539-V541 VanDerWaalsContact C-N 3.33Å; F539-V541 PolarHBondContact O-N 3.01Å; V541-Y543 PolarHBondContact O-N 3.42Å; V541-Y543 VanDerWaalsContact O-N 3.17Å; V541-T544 PolarHBondContact O-N 3.19Å; V541-T544 PolarHBondContact O-OG1 2.77Å
542	L	91.6	Very high	91.4	Very high	85 Å²	85	41.4 Å²	41.4	45%	0.445	23%	0.231	S	C	.	.	H	α-helix	trans	-60.3	-27.5	177.1	-74.1	170.3	0	0	0	113.1	I538 F539 P546	I538-L542 HydrophobicContact CG2-CD1 4.05Å; I538-L542 HydrophobicContact CG2-CG 4.45Å; I538-L542 WeakPolarHBondContact O-CG 3.5Å; I538-L542 PolarHBondContact O-N 3.2Å; F539-L542 PolarHBondContact O-N 3.49Å; L542-P546 WeakPolarHBondContact O-CD 3.08Å
543	Y	92.5	Very high	92.1	Very high	13 Å²	13	39.1 Å²	39.1	5%	0.051	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.3	172.6	-176.8	-78.8	0	0	0	113.5	L358 Y362 S414 W417 F539 V541 I545 P546 A547 V607	L358-Y543 HydrophobicContact CD1-CD2 3.96Å; L358-Y543 HydrophobicContact CD1-CE2 3.85Å; Y362-Y543 HydrophobicContact CE2-CE2 4.44Å; S414-Y543 WeakPolarHBondContact CA-OH 3.31Å; S414-Y543 PolarHBondContact OG-OH 3.02Å; W417-Y543 HydrophobicContact CB-CD1 4.09Å; W417-Y543 HydrophobicContact CB-CD2 4.22Å; W417-Y543 HydrophobicContact CB-CE1 3.85Å; W417-Y543 HydrophobicContact CB-CE2 3.97Å; W417-Y543 HydrophobicContact CB-CG 4.3Å; W417-Y543 AromaticContact CD1-CD1 3.4Å; W417-Y543 VanDerWaalsContact CD1-CD1 3.4Å; W417-Y543 AromaticContact CD1-CD2 3.86Å; W417-Y543 AromaticContact CD1-CG 3.31Å; W417-Y543 AromaticContact CD2-CD1 3.41Å; W417-Y543 HydrophobicContact CD2-CD1 3.41Å; W417-Y543 VanDerWaalsContact CD2-CD1 3.41Å; W417-Y543 AromaticContact CD2-CE1 3.6Å; W417-Y543 HydrophobicContact CD2-CE1 3.6Å; W417-Y543 HydrophobicContact CD2-CG 4.16Å; W417-Y543 AromaticContact CE2-CD1 3.53Å; W417-Y543 HydrophobicContact CE3-CD1 4.1Å; W417-Y543 AromaticContact CE3-CE1 3.92Å; W417-Y543 HydrophobicContact CE3-CE1 3.92Å; W417-Y543 AromaticContact CG-CD1 3.35Å; W417-Y543 HydrophobicContact CG-CD1 3.35Å; W417-Y543 HydrophobicContact CG-CD2 4.06Å; W417-Y543 AromaticContact CG-CE1 3.55Å; W417-Y543 HydrophobicContact CG-CE1 3.55Å; W417-Y543 HydrophobicContact CG-CE2 4.21Å; W417-Y543 AromaticContact CG-CG 3.66Å; W417-Y543 HydrophobicContact CG-CG 3.66Å; W417-Y543 AromaticContact CG-CZ 4Å; W417-Y543 HydrophobicContact CZ2-CD1 4.29Å; W417-Y543 AromaticContact NE1-CD1 3.49Å; W417-Y543 AromaticContact NE1-CG 3.61Å; F539-Y543 PolarHBondContact O-N 3.03Å; V541-Y543 PolarHBondContact O-N 3.42Å; V541-Y543 VanDerWaalsContact O-N 3.17Å; Y543-I545 PolarHBondContact O-N 3.09Å; Y543-P546 WeakPolarHBondContact O-CD 3.31Å; Y543-A547 HydrophobicContact CD1-CB 4.12Å; Y543-A547 HydrophobicContact CE1-CB 3.87Å; Y543-A547 WeakPolarHBondContact O-CB 3.39Å; Y543-A547 PolarHBondContact O-N 2.94Å; Y543-V607 HydrophobicContact CD2-CG1 3.51Å; Y543-V607 HydrophobicContact CD2-CG2 4.39Å; Y543-V607 HydrophobicContact CE2-CG1 3.71Å
544	T	94.5	Very high	92.7	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-25.3	-177.7	68.5	0	0	0	0	112	W417 L496 V500 L503 V541 A547 T548	W417-T544 HydrophobicContact CH2-CG2 4.12Å; W417-T544 HydrophobicContact CZ2-CG2 3.54Å; L496-T544 HydrophobicContact CD1-CG2 4.42Å; V500-T544 HydrophobicContact CG2-CG2 4.18Å; L503-T544 HydrophobicContact CD1-CG2 4.09Å; V541-T544 PolarHBondContact O-N 3.19Å; V541-T544 PolarHBondContact O-OG1 2.77Å; T544-A547 PolarHBondContact O-N 3.47Å; T544-T548 WeakPolarHBondContact O-CB 3.43Å; T544-T548 VanDerWaalsContact O-CG2 3.3Å; T544-T548 WeakPolarHBondContact O-CG2 3.49Å; T544-T548 PolarHBondContact O-N 3.27Å; T544-T548 PolarHBondContact O-OG1 3Å
545	I	94.9	Very high	93.2	Very high	89 Å²	89	40.7 Å²	40.7	46%	0.456	22%	0.22	S	C	.	.	H	α-helix	trans	-68.3	-57.3	-177.8	-64.1	167.2	0	0	0	110.4	Y543 A547 T548 I549	Y543-I545 PolarHBondContact O-N 3.09Å; I545-A547 VanDerWaalsContact C-N 3.3Å; I545-A547 PolarHBondContact O-N 2.72Å; I545-T548 PolarHBondContact O-N 3.12Å; I545-T548 PolarHBondContact O-OG1 2.03Å; I545-I549 HydrophobicContact CG2-CD1 3.93Å; I545-I549 VanDerWaalsContact O-CG1 3.3Å; I545-I549 WeakPolarHBondContact O-CG1 3.48Å; I545-I549 PolarHBondContact O-N 3.32Å; I545-I549 VanDerWaalsContact O-N 3.14Å
546	P	95.7	Very high	93.5	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-38.6	171.5	-26.5	36.2	0	0	0	113.7	L542 Y543 I549 L550 M603 V606 V607	L542-P546 WeakPolarHBondContact O-CD 3.08Å; Y543-P546 WeakPolarHBondContact O-CD 3.31Å; P546-I549 PolarHBondContact O-N 3.05Å; P546-L550 WeakPolarHBondContact O-CB 3.41Å; P546-L550 PolarHBondContact O-N 2.98Å; P546-M603 HydrophobicContact CB-CB 4.17Å; P546-M603 HydrophobicContact CB-SD 3.88Å; P546-M603 HydrophobicContact CG-SD 4.08Å; P546-V606 HydrophobicContact CB-CG1 3.97Å; P546-V606 HydrophobicContact CG-CG1 3.59Å; P546-V607 HydrophobicContact CB-CG2 3.74Å; P546-V607 HydrophobicContact CG-CG2 3.87Å
547	A	95.9	Very high	93.7	Very high	16 Å²	16	39.8 Å²	39.8	13%	0.132	22%	0.218	C	C	.	.	H	α-helix	trans	-66.1	-42.2	-178.8	0	0	0	0	0	113.3	L496 Y543 T544 I545 I551	L496-A547 HydrophobicContact CD1-CB 4.24Å; Y543-A547 HydrophobicContact CD1-CB 4.12Å; Y543-A547 HydrophobicContact CE1-CB 3.87Å; Y543-A547 WeakPolarHBondContact O-CB 3.39Å; Y543-A547 PolarHBondContact O-N 2.94Å; T544-A547 PolarHBondContact O-N 3.47Å; I545-A547 VanDerWaalsContact C-N 3.3Å; I545-A547 PolarHBondContact O-N 2.72Å; A547-I551 WeakPolarHBondContact O-CB 3.08Å; A547-I551 WeakPolarHBondContact O-CD1 3.45Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.48Å; A547-I551 PolarHBondContact O-N 2.8Å
548	T	97	Very high	93.8	Very high	67 Å²	67	41.2 Å²	41.2	41%	0.411	22%	0.223	S	C	.	.	H	α-helix	trans	-67.9	-42.1	176.5	47.6	0	0	0	0	111.8	L496 T544 I545 I551 G552	L496-T548 HydrophobicContact CD1-CG2 4.26Å; L496-T548 HydrophobicContact CD2-CG2 3.58Å; T544-T548 WeakPolarHBondContact O-CB 3.43Å; T544-T548 VanDerWaalsContact O-CG2 3.3Å; T544-T548 WeakPolarHBondContact O-CG2 3.49Å; T544-T548 PolarHBondContact O-N 3.27Å; T544-T548 PolarHBondContact O-OG1 3Å; I545-T548 PolarHBondContact O-N 3.12Å; I545-T548 PolarHBondContact O-OG1 2.03Å; T548-I551 PolarHBondContact O-N 3.48Å; T548-G552 PolarHBondContact O-N 2.86Å
549	I	97.1	Very high	93.9	Very high	53 Å²	53	42.7 Å²	42.7	27%	0.272	23%	0.227	S	C	.	.	H	α-helix	trans	-65.4	-42.7	177.4	-63.4	169	0	0	0	110.8	I545 P546 G552 C553 L599 M603	I545-I549 HydrophobicContact CG2-CD1 3.93Å; I545-I549 VanDerWaalsContact O-CG1 3.3Å; I545-I549 WeakPolarHBondContact O-CG1 3.48Å; I545-I549 PolarHBondContact O-N 3.32Å; I545-I549 VanDerWaalsContact O-N 3.14Å; P546-I549 PolarHBondContact O-N 3.05Å; I549-G552 WeakPolarHBondContact O-CA 3.39Å; I549-G552 PolarHBondContact O-N 3.13Å; I549-G552 VanDerWaalsContact O-N 3.16Å; I549-C553 PolarHBondContact O-N 2.63Å; I549-C553 PolarHBondContact O-SG 2.99Å; I549-L599 HydrophobicContact CG2-CD1 4.16Å; I549-L599 HydrophobicContact CG2-CD2 3.69Å; I549-L599 HydrophobicContact CG2-CG 3.8Å; I549-M603 HydrophobicContact CB-CG 4.1Å; I549-M603 HydrophobicContact CD1-CE 3.69Å; I549-M603 HydrophobicContact CD1-SD 4.15Å; I549-M603 HydrophobicContact CG2-CE 4.44Å; I549-M603 HydrophobicContact CG2-CG 3.77Å
550	L	96.4	Very high	93.9	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-44.2	175.7	178.5	57.9	0	0	0	112.1	L492 P546 G552 C553 Y554 K600 C604	L492-L550 HydrophobicContact CD1-CD2 4.38Å; P546-L550 WeakPolarHBondContact O-CB 3.41Å; P546-L550 PolarHBondContact O-N 2.98Å; L550-G552 VanDerWaalsContact C-N 3.32Å; L550-G552 PolarHBondContact O-N 3.17Å; L550-C553 WeakPolarHBondContact O-CB 3.46Å; L550-C553 PolarHBondContact O-N 2.96Å; L550-Y554 HydrophobicContact CD1-CD2 4.06Å; L550-Y554 HydrophobicContact CD1-CE2 3.42Å; L550-Y554 VanDerWaalsContact CD1-CE2 3.42Å; L550-Y554 HydrophobicContact CD2-CE2 4.31Å; L550-Y554 HydrophobicContact CG-CD2 4.11Å; L550-Y554 HydrophobicContact CG-CE2 3.65Å; L550-Y554 VanDerWaalsContact O-CD2 3.23Å; L550-Y554 WeakPolarHBondContact O-CD2 3.49Å; L550-Y554 PolarHBondContact O-N 2.04Å; L550-Y554 VanDerWaalsContact O-N 3.11Å; L550-K600 HydrophobicContact CD1-CG 3.71Å; L550-C604 VanDerWaalsContact CD1-SG 3.57Å
551	I	97.2	Very high	93.9	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-40	173.5	-74.4	163.5	0	0	0	111	L489 L492 L496 A547 T548 Y554 F555	L489-I551 HydrophobicContact CD1-CG2 4.03Å; L492-I551 HydrophobicContact CB-CD1 3.96Å; L492-I551 HydrophobicContact CB-CG1 3.83Å; L496-I551 HydrophobicContact CB-CD1 3.95Å; L496-I551 HydrophobicContact CD2-CD1 3.68Å; L496-I551 HydrophobicContact CG-CD1 4.41Å; A547-I551 WeakPolarHBondContact O-CB 3.08Å; A547-I551 WeakPolarHBondContact O-CD1 3.45Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.48Å; A547-I551 PolarHBondContact O-N 2.8Å; T548-I551 PolarHBondContact O-N 3.48Å; I551-Y554 PolarHBondContact O-N 3.32Å; I551-F555 HydrophobicContact CG2-CD2 3.68Å; I551-F555 HydrophobicContact CG2-CE2 3.67Å; I551-F555 WeakPolarHBondContact O-CD2 3.31Å; I551-F555 PolarHBondContact O-N 3.48Å
552	G	96.6	Very high	93.6	Very high	39 Å²	39	47.9 Å²	47.9	40%	0.402	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-42.8	173.7	0	0	0	0	0	113.4	T548 I549 L550 Y554 F555 Y556	T548-G552 PolarHBondContact O-N 2.86Å; I549-G552 WeakPolarHBondContact O-CA 3.39Å; I549-G552 PolarHBondContact O-N 3.13Å; I549-G552 VanDerWaalsContact O-N 3.16Å; L550-G552 VanDerWaalsContact C-N 3.32Å; L550-G552 PolarHBondContact O-N 3.17Å; G552-Y554 PolarHBondContact O-N 2.87Å; G552-F555 PolarHBondContact O-N 3.19Å; G552-Y556 PolarHBondContact O-N 3.43Å
553	C	95.7	Very high	93.2	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-45.5	174.5	-61.3	0	0	0	0	111.2	I549 L550 F555 Y556 E557 I596 K600	I549-C553 PolarHBondContact O-N 2.63Å; I549-C553 PolarHBondContact O-SG 2.99Å; L550-C553 WeakPolarHBondContact O-CB 3.46Å; L550-C553 PolarHBondContact O-N 2.96Å; C553-F555 PolarHBondContact O-N 3.27Å; C553-Y556 WeakPolarHBondContact O-CB 3.28Å; C553-Y556 PolarHBondContact O-N 3.4Å; C553-E557 WeakPolarHBondContact O-CG 3.47Å; C553-E557 PolarHBondContact O-N 3.09Å; C553-I596 HydrophobicContact CB-CG2 4.08Å; C553-K600 HydrophobicContact CB-CB 4.15Å; C553-K600 HydrophobicContact CB-CD 4.44Å; C553-K600 HydrophobicContact CB-CG 4.23Å
554	Y	95.4	Very high	92.9	Very high	30 Å²	30	46.4 Å²	46.4	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-30.6	176.8	-69.4	-51.3	0	0	0	113.7	L484 V488 L492 L550 I551 G552 Q558 K600	L484-Y554 HydrophobicContact CD1-CD1 3.84Å; L484-Y554 HydrophobicContact CD1-CE1 3.99Å; L484-Y554 HydrophobicContact CD2-CD1 4.22Å; V488-Y554 HydrophobicContact CG1-CD1 4.47Å; V488-Y554 HydrophobicContact CG1-CD2 3.88Å; V488-Y554 HydrophobicContact CG1-CE1 4.13Å; V488-Y554 HydrophobicContact CG1-CE2 3.48Å; V488-Y554 VanDerWaalsContact CG1-CE2 3.48Å; V488-Y554 HydrophobicContact CG1-CG 4.36Å; L492-Y554 HydrophobicContact CD1-CD2 4.07Å; L492-Y554 HydrophobicContact CD1-CE2 3.78Å; L550-Y554 HydrophobicContact CD1-CD2 4.06Å; L550-Y554 HydrophobicContact CD1-CE2 3.42Å; L550-Y554 VanDerWaalsContact CD1-CE2 3.42Å; L550-Y554 HydrophobicContact CD2-CE2 4.31Å; L550-Y554 HydrophobicContact CG-CD2 4.11Å; L550-Y554 HydrophobicContact CG-CE2 3.65Å; L550-Y554 VanDerWaalsContact O-CD2 3.23Å; L550-Y554 WeakPolarHBondContact O-CD2 3.49Å; L550-Y554 PolarHBondContact O-N 2.04Å; L550-Y554 VanDerWaalsContact O-N 3.11Å; I551-Y554 PolarHBondContact O-N 3.32Å; G552-Y554 PolarHBondContact O-N 2.87Å; Y554-Q558 WeakPolarHBondContact O-CB 3.38Å; Y554-Q558 PolarHBondContact O-N 3.26Å; Y554-K600 HydrophobicContact CD1-CD 4.35Å; Y554-K600 HydrophobicContact CE1-CD 3.85Å
555	F	95.3	Very high	92.5	Very high	96 Å²	96	46 Å²	46	42%	0.421	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-41.5	170.9	-92	-69	0	0	0	112	L489 I551 G552 C553 Q558 H559	L489-F555 HydrophobicContact CD1-CD2 3.89Å; L489-F555 HydrophobicContact CD1-CE2 3.82Å; L489-F555 HydrophobicContact CD1-CG 4.42Å; L489-F555 HydrophobicContact CD1-CZ 4.29Å; L489-F555 HydrophobicContact CD2-CD1 4.06Å; L489-F555 HydrophobicContact CD2-CD2 4.48Å; L489-F555 HydrophobicContact CD2-CE1 3.95Å; L489-F555 HydrophobicContact CD2-CE2 4.39Å; L489-F555 HydrophobicContact CD2-CG 4.32Å; L489-F555 HydrophobicContact CD2-CZ 4.12Å; L489-F555 HydrophobicContact CG-CE2 4.43Å; L489-F555 HydrophobicContact CG-CZ 4.42Å; I551-F555 HydrophobicContact CG2-CD2 3.68Å; I551-F555 HydrophobicContact CG2-CE2 3.67Å; I551-F555 WeakPolarHBondContact O-CD2 3.31Å; I551-F555 PolarHBondContact O-N 3.48Å; G552-F555 PolarHBondContact O-N 3.19Å; C553-F555 PolarHBondContact O-N 3.27Å; F555-Q558 PolarHBondContact O-N 3.4Å; F555-H559 WeakPolarHBondContact O-CB 3.45Å; F555-H559 PolarHBondContact O-N 3.3Å
556	Y	93.8	Very high	91.9	Very high	45 Å²	45	43.1 Å²	43.1	18%	0.176	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-50.2	173.5	171.9	-94.8	0	0	0	111.5	G552 C553 Q558 H559 Y560 W564 E593 I596	G552-Y556 PolarHBondContact O-N 3.43Å; C553-Y556 WeakPolarHBondContact O-CB 3.28Å; C553-Y556 PolarHBondContact O-N 3.4Å; Y556-Q558 VanDerWaalsContact C-N 3.28Å; Y556-Q558 PolarHBondContact O-N 3.48Å; Y556-H559 PolarHBondContact O-N 3.36Å; Y556-Y560 AromaticContact CD2-CD2 3.45Å; Y556-Y560 HydrophobicContact CD2-CD2 3.45Å; Y556-Y560 VanDerWaalsContact CD2-CD2 3.45Å; Y556-Y560 AromaticContact CD2-CE2 3.63Å; Y556-Y560 HydrophobicContact CD2-CE2 3.63Å; Y556-Y560 AromaticContact CE2-CD2 3.6Å; Y556-Y560 HydrophobicContact CE2-CD2 3.6Å; Y556-Y560 AromaticContact CE2-CE2 3.83Å; Y556-Y560 HydrophobicContact CE2-CE2 3.83Å; Y556-Y560 HydrophobicContact CE2-CG 4.43Å; Y556-Y560 HydrophobicContact CG-CD2 4.18Å; Y556-Y560 PolarHBondContact O-N 3.41Å; Y556-W564 AromaticContact CD1-CH2 3.9Å; Y556-W564 HydrophobicContact CD1-CH2 3.9Å; Y556-W564 HydrophobicContact CD1-CZ2 4.24Å; Y556-W564 AromaticContact CE1-CH2 3.43Å; Y556-W564 HydrophobicContact CE1-CH2 3.43Å; Y556-W564 VanDerWaalsContact CE1-CH2 3.43Å; Y556-W564 AromaticContact CE1-CZ2 3.48Å; Y556-W564 HydrophobicContact CE1-CZ2 3.48Å; Y556-W564 VanDerWaalsContact CE1-CZ2 3.48Å; Y556-W564 HydrophobicContact CE2-CZ2 4.29Å; Y556-W564 AromaticContact CZ-CH2 3.98Å; Y556-W564 AromaticContact CZ-CZ2 3.5Å; Y556-W564 VanDerWaalsContact CZ-CZ2 3.5Å; Y556-W564 WeakPolarHBondContact OH-CZ2 3.43Å; Y556-E593 WeakPolarHBondContact OH-CB 3.32Å; Y556-E593 WeakPolarHBondContact OH-CG 3.43Å; Y556-E593 PolarHBondContact OH-N 3.11Å; Y556-I596 HydrophobicContact CD1-CB 4.32Å; Y556-I596 HydrophobicContact CD1-CD1 3.85Å; Y556-I596 HydrophobicContact CD1-CG2 3.76Å; Y556-I596 HydrophobicContact CD2-CD1 3.8Å; Y556-I596 HydrophobicContact CE1-CB 4.26Å; Y556-I596 HydrophobicContact CE1-CD1 3.74Å; Y556-I596 HydrophobicContact CE1-CG2 4.2Å; Y556-I596 HydrophobicContact CE2-CD1 3.71Å; Y556-I596 HydrophobicContact CG-CD1 3.88Å; Y556-I596 HydrophobicContact CG-CG2 4.33Å
557	E	91.4	Very high	91.2	Very high	30 Å²	30	44.2 Å²	44.2	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-29.8	176.2	-71.8	175.3	-177.9	0	0	113.3	C553 R561 K600	C553-E557 WeakPolarHBondContact O-CG 3.47Å; C553-E557 PolarHBondContact O-N 3.09Å; E557-R561 WeakPolarHBondContact O-CB 3.32Å; E557-R561 PolarHBondContact O-NE 3.27Å; E557-K600 VanDerWaalsContact CD-NZ 3.25Å; E557-K600 WeakPolarHBondContact OE1-CD 3.43Å; E557-K600 WeakPolarHBondContact OE1-CE 3.22Å; E557-K600 IonicContact OE1-NZ 2.76Å; E557-K600 PolarHBondContact OE1-NZ 3.36Å; E557-K600 IonicContact OE2-NZ 3.25Å; E557-K600 PolarHBondContact OE2-NZ 3.36Å
558	Q	92.5	Very high	90.5	Very high	37 Å²	37	44.6 Å²	44.6	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-74.7	-40.7	172.8	171.7	174.8	-116.2	0	0	112.4	V481 R485 L489 Y554 F555 Y556	V481-Q558 HydrophobicContact CG1-CG 3.95Å; R485-Q558 VanDerWaalsContact NH2-OE1 3.12Å; L489-Q558 VanDerWaalsContact CD2-NE2 3.32Å; Y554-Q558 WeakPolarHBondContact O-CB 3.38Å; Y554-Q558 PolarHBondContact O-N 3.26Å; F555-Q558 PolarHBondContact O-N 3.4Å; Y556-Q558 VanDerWaalsContact C-N 3.28Å; Y556-Q558 PolarHBondContact O-N 3.48Å
559	H	90.8	Very high	89.9	Confident	130 Å²	130	41.4 Å²	41.4	60%	0.602	20%	0.204	S	C	*	.	H	α-helix	trans	-76.5	-42.3	-171.7	-174	77.8	0	0	0	112.4	F555 Y556	F555-H559 WeakPolarHBondContact O-CB 3.45Å; F555-H559 PolarHBondContact O-N 3.3Å; Y556-H559 PolarHBondContact O-N 3.36Å
560	Y	88.5	Confident	89.3	Confident	99 Å²	99	39.6 Å²	39.6	39%	0.388	20%	0.196	S	C	.	.	H	α-helix	trans	-99	-14.3	-171	-68.7	-76.7	0	0	0	115	Y556 L562 I563 W564	Y556-Y560 AromaticContact CD2-CD2 3.45Å; Y556-Y560 HydrophobicContact CD2-CD2 3.45Å; Y556-Y560 VanDerWaalsContact CD2-CD2 3.45Å; Y556-Y560 AromaticContact CD2-CE2 3.63Å; Y556-Y560 HydrophobicContact CD2-CE2 3.63Å; Y556-Y560 AromaticContact CE2-CD2 3.6Å; Y556-Y560 HydrophobicContact CE2-CD2 3.6Å; Y556-Y560 AromaticContact CE2-CE2 3.83Å; Y556-Y560 HydrophobicContact CE2-CE2 3.83Å; Y556-Y560 HydrophobicContact CE2-CG 4.43Å; Y556-Y560 HydrophobicContact CG-CD2 4.18Å; Y556-Y560 PolarHBondContact O-N 3.41Å; Y560-L562 PolarHBondContact O-N 3.35Å; Y560-I563 HydrophobicContact CD1-CD1 3.96Å; Y560-I563 WeakPolarHBondContact O-CA 3.17Å; Y560-I563 WeakPolarHBondContact O-CB 3.3Å; Y560-I563 PolarHBondContact O-N 3.18Å; Y560-W564 VanDerWaalsContact CB-CE2 3.43Å; Y560-W564 HydrophobicContact CG-CZ2 4.2Å; Y560-W564 PolarHBondContact O-N 2.81Å; Y560-W564 VanDerWaalsContact O-N 3.08Å
561	R	87.5	Confident	88.4	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.038	21%	0.21	C	C	.	.	H	α-helix	trans	-53.5	-49	-175.7	164.3	164.5	26.7	169	-8.3	114	G477 N478 T479 V481 E557 I563 W564 E565	G477-R561 PolarHBondContact O-NH1 3.32Å; G477-R561 PolarHBondContact O-NH2 3.26Å; N478-R561 PolarHBondContact O-NH1 3.16Å; T479-R561 PolarHBondContact O-NH1 3.07Å; V481-R561 HydrophobicContact CG2-CG 4.43Å; E557-R561 WeakPolarHBondContact O-CB 3.32Å; E557-R561 PolarHBondContact O-NE 3.27Å; R561-I563 PolarHBondContact O-N 3.01Å; R561-W564 HydrophobicContact CB-CE3 4.17Å; R561-W564 HydrophobicContact CB-CZ3 4.23Å; R561-W564 PolarHBondContact O-N 2.82Å; R561-W564 VanDerWaalsContact O-N 3.13Å; R561-E565 VanDerWaalsContact CD-OE1 3.24Å; R561-E565 WeakPolarHBondContact CD-OE1 3.35Å; R561-E565 HydrophobicContact CG-CG 4.25Å; R561-E565 WeakPolarHBondContact CG-OE1 3.28Å; R561-E565 WeakPolarHBondContact O-CG 3.35Å; R561-E565 PolarHBondContact O-N 2.89Å
562	L	85.6	Confident	87.1	Confident	88 Å²	88	44 Å²	44	46%	0.461	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-34.8	178.4	-174.8	65.3	0	0	0	112.2	Y560 M566	Y560-L562 PolarHBondContact O-N 3.35Å; L562-M566 HydrophobicContact CD1-CG 3.95Å; L562-M566 HydrophobicContact CD1-SD 3.65Å; L562-M566 HydrophobicContact CD2-SD 4.36Å; L562-M566 HydrophobicContact CG-CG 4.3Å; L562-M566 HydrophobicContact CG-SD 3.8Å; L562-M566 VanDerWaalsContact O-CB 3.32Å; L562-M566 WeakPolarHBondContact O-CB 3.49Å; L562-M566 VanDerWaalsContact O-CG 3.25Å; L562-M566 WeakPolarHBondContact O-CG 3.38Å; L562-M566 PolarHBondContact O-N 3.13Å
563	I	84	Confident	85.5	Confident	43 Å²	43	45.6 Å²	45.6	22%	0.221	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-47.4	177.2	-58.6	166.2	0	0	0	109.8	Y560 R561 E565 T567 F577 A590	Y560-I563 HydrophobicContact CD1-CD1 3.96Å; Y560-I563 WeakPolarHBondContact O-CA 3.17Å; Y560-I563 WeakPolarHBondContact O-CB 3.3Å; Y560-I563 PolarHBondContact O-N 3.18Å; R561-I563 PolarHBondContact O-N 3.01Å; I563-E565 PolarHBondContact O-N 2.88Å; I563-T567 WeakPolarHBondContact O-CB 3.27Å; I563-T567 PolarHBondContact O-N 2.83Å; I563-T567 PolarHBondContact O-OG1 2.04Å; I563-F577 HydrophobicContact CG1-CD1 4.38Å; I563-F577 HydrophobicContact CG1-CE1 4Å; I563-F577 HydrophobicContact CG2-CD1 4.43Å; I563-A590 HydrophobicContact CG2-CB 3.93Å
564	W	84.5	Confident	84	Confident	24 Å²	24	50 Å²	50	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-44.2	178.5	-53.3	-31.8	0	0	0	112.4	Y556 Y560 R561 A590 K591 P592	Y556-W564 AromaticContact CD1-CH2 3.9Å; Y556-W564 HydrophobicContact CD1-CH2 3.9Å; Y556-W564 HydrophobicContact CD1-CZ2 4.24Å; Y556-W564 AromaticContact CE1-CH2 3.43Å; Y556-W564 HydrophobicContact CE1-CH2 3.43Å; Y556-W564 VanDerWaalsContact CE1-CH2 3.43Å; Y556-W564 AromaticContact CE1-CZ2 3.48Å; Y556-W564 HydrophobicContact CE1-CZ2 3.48Å; Y556-W564 VanDerWaalsContact CE1-CZ2 3.48Å; Y556-W564 HydrophobicContact CE2-CZ2 4.29Å; Y556-W564 AromaticContact CZ-CH2 3.98Å; Y556-W564 AromaticContact CZ-CZ2 3.5Å; Y556-W564 VanDerWaalsContact CZ-CZ2 3.5Å; Y556-W564 WeakPolarHBondContact OH-CZ2 3.43Å; Y560-W564 VanDerWaalsContact CB-CE2 3.43Å; Y560-W564 HydrophobicContact CG-CZ2 4.2Å; Y560-W564 PolarHBondContact O-N 2.81Å; Y560-W564 VanDerWaalsContact O-N 3.08Å; R561-W564 HydrophobicContact CB-CE3 4.17Å; R561-W564 HydrophobicContact CB-CZ3 4.23Å; R561-W564 PolarHBondContact O-N 2.82Å; R561-W564 VanDerWaalsContact O-N 3.13Å; W564-A590 WeakPolarHBondContact CA-O 3.46Å; W564-A590 VanDerWaalsContact CD1-C 3.41Å; W564-A590 VanDerWaalsContact CD1-O 3.23Å; W564-K591 PolarHBondContact NE1-O 3.33Å; W564-P592 HydrophobicContact CD2-CB 4.1Å; W564-P592 HydrophobicContact CD2-CG 4.46Å; W564-P592 HydrophobicContact CE3-CB 3.85Å; W564-P592 HydrophobicContact CE3-CG 4.27Å; W564-P592 HydrophobicContact CH2-CB 3.82Å; W564-P592 HydrophobicContact CZ2-CB 4.01Å; W564-P592 HydrophobicContact CZ3-CB 3.73Å
565	E	87	Confident	82.7	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-53.5	178.4	-66.2	171.2	-171.4	0	0	111.2	F281 V296 G297 Y304 R561 I563 T567 I568 T569	F281-E565 HydrophobicContact CZ-CG 4.25Å; V296-E565 HydrophobicContact CG1-CB 3.98Å; V296-E565 HydrophobicContact CG1-CG 3.9Å; G297-E565 PolarHBondContact N-OE2 3.26Å; Y304-E565 PolarHBondContact OH-OE1 3.28Å; Y304-E565 VanDerWaalsContact OH-OE1 3.09Å; R561-E565 VanDerWaalsContact CD-OE1 3.24Å; R561-E565 WeakPolarHBondContact CD-OE1 3.35Å; R561-E565 HydrophobicContact CG-CG 4.25Å; R561-E565 WeakPolarHBondContact CG-OE1 3.28Å; R561-E565 WeakPolarHBondContact O-CG 3.35Å; R561-E565 PolarHBondContact O-N 2.89Å; I563-E565 PolarHBondContact O-N 2.88Å; E565-T567 VanDerWaalsContact C-N 3.28Å; E565-T567 PolarHBondContact O-N 2.86Å; E565-I568 PolarHBondContact O-N 2.88Å; E565-T569 PolarHBondContact O-N 3.42Å; E565-T569 PolarHBondContact O-OG1 3.28Å
566	M	82.8	Confident	80.9	Confident	30 Å²	30	47.7 Å²	47.7	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-25.3	-176.6	-65.8	-172.7	83.4	0	0	113.1	L562 I568 C570 F577	L562-M566 HydrophobicContact CD1-CG 3.95Å; L562-M566 HydrophobicContact CD1-SD 3.65Å; L562-M566 HydrophobicContact CD2-SD 4.36Å; L562-M566 HydrophobicContact CG-CG 4.3Å; L562-M566 HydrophobicContact CG-SD 3.8Å; L562-M566 VanDerWaalsContact O-CB 3.32Å; L562-M566 WeakPolarHBondContact O-CB 3.49Å; L562-M566 VanDerWaalsContact O-CG 3.25Å; L562-M566 WeakPolarHBondContact O-CG 3.38Å; L562-M566 PolarHBondContact O-N 3.13Å; M566-I568 PolarHBondContact O-N 2.94Å; M566-C570 VanDerWaalsContact O-CB 3.31Å; M566-C570 WeakPolarHBondContact O-CB 3.45Å; M566-C570 PolarHBondContact O-N 3.42Å; M566-F577 HydrophobicContact CB-CD2 4.27Å; M566-F577 HydrophobicContact CB-CE2 4.33Å; M566-F577 HydrophobicContact CE-CD2 4.34Å; M566-F577 HydrophobicContact CE-CE2 3.79Å; M566-F577 HydrophobicContact SD-CD2 4.24Å; M566-F577 HydrophobicContact SD-CE2 3.43Å; M566-F577 WeakPolarHBondContact SD-CE2 3.07Å; M566-F577 HydrophobicContact SD-CZ 3.7Å
567	T	79.4	Confident	79.1	Confident	37 Å²	37	48.8 Å²	48.8	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-18	173.4	-54	0	0	0	0	112.6	I563 E565 V589	I563-T567 WeakPolarHBondContact O-CB 3.27Å; I563-T567 PolarHBondContact O-N 2.83Å; I563-T567 PolarHBondContact O-OG1 2.04Å; E565-T567 VanDerWaalsContact C-N 3.28Å; E565-T567 PolarHBondContact O-N 2.86Å; T567-V589 HydrophobicContact CG2-CB 4.43Å; T567-V589 HydrophobicContact CG2-CG1 4.09Å
568	I	81.1	Confident	77	Confident	23 Å²	23	49.1 Å²	49.1	12%	0.118	28%	0.277	C	S	.	.	H	α-helix	trans	-103	-41.5	176.8	-66.1	172.8	0	0	0	111.6	F281 F310 E565 M566	F281-I568 HydrophobicContact CD2-CB 4.38Å; F281-I568 HydrophobicContact CD2-CG2 3.72Å; F281-I568 HydrophobicContact CE2-CB 3.89Å; F281-I568 HydrophobicContact CE2-CD1 4.11Å; F281-I568 HydrophobicContact CE2-CG2 3.73Å; F310-I568 HydrophobicContact CE1-CD1 3.7Å; F310-I568 HydrophobicContact CZ-CD1 3.53Å; E565-I568 PolarHBondContact O-N 2.88Å; M566-I568 PolarHBondContact O-N 2.94Å
569	T	85.4	Confident	74.6	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-78.9	-33.2	-176.3	60.2	0	0	0	0	113.2	C275 Q276 F281 V296 G297 V299 E565	C275-T569 CarbonylContact C-O 3.55Å; C275-T569 VanDerWaalsContact CA-O 3.31Å; C275-T569 WeakPolarHBondContact CA-O 3.49Å; Q276-T569 PolarHBondContact N-O 3.24Å; Q276-T569 WeakPolarHBondContact O-CA 3.32Å; Q276-T569 WeakPolarHBondContact O-CB 3.37Å; Q276-T569 VanDerWaalsContact O-O 3.11Å; F281-T569 HydrophobicContact CD2-CG2 4.08Å; F281-T569 HydrophobicContact CE2-CG2 4.19Å; V296-T569 HydrophobicContact CG1-CG2 4.03Å; G297-T569 PolarHBondContact O-OG1 3.41Å; V299-T569 HydrophobicContact CG2-CG2 4.34Å; E565-T569 PolarHBondContact O-N 3.42Å; E565-T569 PolarHBondContact O-OG1 3.28Å
570	C	84.4	Confident	72.6	Confident	15 Å²	15	50.4 Å²	50.4	10%	0.101	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.6	-174.7	-59	0	0	0	0	112.6	V274 C275 M566	V274-C570 WeakPolarHBondContact O-CA 3.32Å; C275-C570 HydrophobicContact CB-CB 4.1Å; C275-C570 WeakPolarHBondContact CB-SG 3.37Å; C275-C570 WeakPolarHBondContact SG-CB 3.34Å; C275-C570 CovalentContact SG-SG 2.04Å; C275-C570 PolarHBondContact SG-SG 3.32Å; M566-C570 VanDerWaalsContact O-CB 3.31Å; M566-C570 WeakPolarHBondContact O-CB 3.45Å; M566-C570 PolarHBondContact O-N 3.42Å
571	H	77.8	Confident	70.5	Confident	87 Å²	87	47.2 Å²	47.2	40%	0.403	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.8	177.4	70.8	-52.6	0	0	0	112.3	V274 C575	V274-H571 PolarHBondContact N-O 3.26Å; V274-H571 PolarHBondContact O-N 3.16Å; V274-H571 PolarHBondContact O-ND1 2.9Å; H571-C575 PolarHBondContact O-SG 3.32Å; H571-C575 VanDerWaalsContact O-SG 3.41Å
572	G	70.5	Confident	68.3	Low	38 Å²	38	51.6 Å²	51.6	39%	0.392	32%	0.317	S	S	.	.	S	Bend	trans	140.2	157.1	-174.5	0	0	0	0	0	111.2	D574 C575	G572-D574 PolarHBondContact O-N 2.04Å; G572-C575 PolarHBondContact O-N 3.04Å
573	S	62.6	Low	66.4	Low	73 Å²	73	54.8 Å²	54.8	51%	0.51	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.8	177.2	45.6	0	0	0	0	112.7	R271	R271-S573 WeakPolarHBondContact CB-OG 3.01Å
574	D	63.9	Low	64	Low	99 Å²	99	56.5 Å²	56.5	53%	0.529	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	4	-168.6	-56.1	16	0	0	0	111.4	G572 G576	G572-D574 PolarHBondContact O-N 2.04Å; D574-G576 PolarHBondContact O-N 3.21Å
575	C	68.9	Low	61.7	Low	13 Å²	13	63 Å²	63	9%	0.088	39%	0.386	C	S	.	.			trans	-73.2	107	172	-64.3	0	0	0	0	110	C273 H571 G572 F577 A578	C273-C575 WeakPolarHBondContact CA-SG 3.07Å; C273-C575 HydrophobicContact CB-CB 3.96Å; C273-C575 WeakPolarHBondContact CB-SG 3.48Å; C273-C575 WeakPolarHBondContact SG-CA 3.4Å; C273-C575 WeakPolarHBondContact SG-CB 3.45Å; C273-C575 CovalentContact SG-SG 2.03Å; C273-C575 PolarHBondContact SG-SG 3.41Å; H571-C575 PolarHBondContact O-SG 3.32Å; H571-C575 VanDerWaalsContact O-SG 3.41Å; G572-C575 PolarHBondContact O-N 3.04Å; C575-F577 PolarHBondContact O-N 3.43Å; C575-A578 WeakPolarHBondContact O-CB 3.08Å; C575-A578 PolarHBondContact O-N 3.46Å
576	G	56.6	Low	59.6	Low	63 Å²	63	64.7 Å²	64.7	65%	0.649	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-15.3	-174.5	0	0	0	0	0	116.8	D574	D574-G576 PolarHBondContact O-N 3.21Å
577	F	56.1	Low	57.9	Low	68 Å²	68	68.8 Å²	68.8	30%	0.298	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.8	172.2	-72.8	-86	0	0	0	113.7	I563 M566 C575 A579 L580	I563-F577 HydrophobicContact CG1-CD1 4.38Å; I563-F577 HydrophobicContact CG1-CE1 4Å; I563-F577 HydrophobicContact CG2-CD1 4.43Å; M566-F577 HydrophobicContact CB-CD2 4.27Å; M566-F577 HydrophobicContact CB-CE2 4.33Å; M566-F577 HydrophobicContact CE-CD2 4.34Å; M566-F577 HydrophobicContact CE-CE2 3.79Å; M566-F577 HydrophobicContact SD-CD2 4.24Å; M566-F577 HydrophobicContact SD-CE2 3.43Å; M566-F577 WeakPolarHBondContact SD-CE2 3.07Å; M566-F577 HydrophobicContact SD-CZ 3.7Å; C575-F577 PolarHBondContact O-N 3.43Å; F577-A579 PolarHBondContact O-N 3.32Å; F577-L580 PolarHBondContact O-N 3.1Å; F577-L580 VanDerWaalsContact O-N 3.13Å
578	A	46.9	Very low	56.5	Low	37 Å²	37	73.6 Å²	73.6	31%	0.306	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-59.3	-34.9	177.1	0	0	0	0	0	111.9	C575 L580 T581 T582	C575-A578 WeakPolarHBondContact O-CB 3.08Å; C575-A578 PolarHBondContact O-N 3.46Å; A578-L580 PolarHBondContact O-N 2.91Å; A578-L580 VanDerWaalsContact O-N 3.17Å; A578-T581 PolarHBondContact O-N 3.04Å; A578-T581 PolarHBondContact O-OG1 3.17Å; A578-T582 PolarHBondContact O-N 3.04Å; A578-T582 PolarHBondContact O-OG1 3.08Å
579	A	41.7	Very low	55.4	Low	64 Å²	64	76 Å²	76	53%	0.529	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-63.1	-18	178.9	0	0	0	0	0	114.6	F577	F577-A579 PolarHBondContact O-N 3.32Å
580	L	48.8	Very low	54.4	Low	130 Å²	130	77.3 Å²	77.3	68%	0.681	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-83.5	-12	172.3	-82.2	159.1	0	0	0	113.2	F577 A578	F577-L580 PolarHBondContact O-N 3.1Å; F577-L580 VanDerWaalsContact O-N 3.13Å; A578-L580 PolarHBondContact O-N 2.91Å; A578-L580 VanDerWaalsContact O-N 3.17Å
581	T	46.1	Very low	53.8	Low	32 Å²	32	82.3 Å²	82.3	20%	0.196	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-22	-176.9	58.4	0	0	0	0	114.2	A578 I583 H588	A578-T581 PolarHBondContact O-N 3.04Å; A578-T581 PolarHBondContact O-OG1 3.17Å; T581-I583 VanDerWaalsContact C-N 3.32Å; T581-I583 PolarHBondContact O-N 3.15Å; T581-H588 WeakPolarHBondContact CG2-O 3.5Å
582	T	39.9	Very low	53.9	Low	103 Å²	103	79.7 Å²	79.7	63%	0.632	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	3.7	-175	40.2	0	0	0	0	116	A578 S584	A578-T582 PolarHBondContact O-N 3.04Å; A578-T582 PolarHBondContact O-OG1 3.08Å; T582-S584 VanDerWaalsContact C-N 3.3Å; T582-S584 PolarHBondContact O-N 3.07Å
583	I	45.1	Very low	54.6	Low	154 Å²	154	82.3 Å²	82.3	79%	0.79	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.1	179.7	-62.1	177.7	0	0	0	112.3	T581	T581-I583 VanDerWaalsContact C-N 3.32Å; T581-I583 PolarHBondContact O-N 3.15Å
584	S	34.3	Very low	55.6	Low	80 Å²	80	81.7 Å²	81.7	56%	0.559	48%	0.48	S	S	*	.	S	Bend	trans	-135.1	153.6	173.1	-172	0	0	0	0	111.2	T582 G586	T582-S584 VanDerWaalsContact C-N 3.3Å; T582-S584 PolarHBondContact O-N 3.07Å; S584-G586 PolarHBondContact O-N 3.26Å; S584-G586 VanDerWaalsContact O-N 3.12Å
585	N	36.5	Very low	56.8	Low	161 Å²	161	80.5 Å²	80.5	86%	0.861	48%	0.479	S	S	*	.	S	Bend	trans	-59	111.2	-173.9	-65.5	-40.8	0	0	0	112.7
586	G	42.4	Very low	57.8	Low	50 Å²	50	81.8 Å²	81.8	52%	0.515	49%	0.485	S	S	.	.	S	Bend	trans	111.8	141.6	173.2	0	0	0	0	0	113.5	S584 H588	S584-G586 PolarHBondContact O-N 3.26Å; S584-G586 VanDerWaalsContact O-N 3.12Å; G586-H588 VanDerWaalsContact C-N 3.31Å; G586-H588 PolarHBondContact O-N 2.97Å
587	V	47.6	Very low	59.3	Low	117 Å²	117	79.1 Å²	79.1	71%	0.709	46%	0.457	S	S	*	.			trans	-73.8	86.6	178.5	-176.3	0	0	0	0	109.4	V589	V587-V589 VanDerWaalsContact C-N 3.33Å; V587-V589 HydrophobicContact CG1-CG2 4.49Å; V587-V589 PolarHBondContact O-N 2.95Å
588	H	50	Low	60.9	Low	138 Å²	138	76.7 Å²	76.7	64%	0.639	45%	0.448	S	S	*	.			trans	-68.9	91.3	169.4	-82.7	-84.6	0	0	0	109.7	T581 G586 A590	T581-H588 WeakPolarHBondContact CG2-O 3.5Å; G586-H588 VanDerWaalsContact C-N 3.31Å; G586-H588 PolarHBondContact O-N 2.97Å; H588-A590 PolarHBondContact O-N 3.25Å
589	V	57.5	Low	63.2	Low	74 Å²	74	78 Å²	78	45%	0.448	45%	0.449	S	S	.	.			trans	-55.1	110.7	169.4	175.3	0	0	0	0	108.4	T567 V587 K591	T567-V589 HydrophobicContact CG2-CB 4.43Å; T567-V589 HydrophobicContact CG2-CG1 4.09Å; V587-V589 VanDerWaalsContact C-N 3.33Å; V587-V589 HydrophobicContact CG1-CG2 4.49Å; V587-V589 PolarHBondContact O-N 2.95Å; V589-K591 PolarHBondContact O-N 2.92Å; V589-K591 VanDerWaalsContact O-N 3.15Å
590	A	64.6	Low	65.7	Low	27 Å²	27	75.5 Å²	75.5	22%	0.223	43%	0.426	C	S	.	.			trans	-63.4	116.2	178.5	0	0	0	0	0	108.9	I563 W564 H588	I563-A590 HydrophobicContact CG2-CB 3.93Å; W564-A590 WeakPolarHBondContact CA-O 3.46Å; W564-A590 VanDerWaalsContact CD1-C 3.41Å; W564-A590 VanDerWaalsContact CD1-O 3.23Å; H588-A590 PolarHBondContact O-N 3.25Å
591	K	72.5	Confident	67.9	Low	121 Å²	121	69.6 Å²	69.6	53%	0.526	40%	0.395	S	S	.	.			trans	-122.8	153.7	-178.3	62.4	-179.9	-179.8	179.2	0	110.6	F310 W564 V589	F310-K591 HydrophobicContact CD1-CB 3.54Å; F310-K591 HydrophobicContact CE1-CB 3.66Å; F310-K591 HydrophobicContact CG-CB 4.22Å; F310-K591 HydrophobicContact CZ-CB 4.44Å; W564-K591 PolarHBondContact NE1-O 3.33Å; V589-K591 PolarHBondContact O-N 2.92Å; V589-K591 VanDerWaalsContact O-N 3.15Å
592	P	80.1	Confident	70.3	Confident	32 Å²	32	70.1 Å²	70.1	21%	0.208	40%	0.395	C	S	.	.			trans	-62.7	134.6	169.6	25.5	-33.6	0	0	0	111.1	F310 W564 F594	F310-P592 HydrophobicContact CD2-CG 3.36Å; F310-P592 HydrophobicContact CE2-CG 3.63Å; F310-P592 HydrophobicContact CG-CG 4.02Å; F310-P592 HydrophobicContact CZ-CG 4.44Å; W564-P592 HydrophobicContact CD2-CB 4.1Å; W564-P592 HydrophobicContact CD2-CG 4.46Å; W564-P592 HydrophobicContact CE3-CB 3.85Å; W564-P592 HydrophobicContact CE3-CG 4.27Å; W564-P592 HydrophobicContact CH2-CB 3.82Å; W564-P592 HydrophobicContact CZ2-CB 4.01Å; W564-P592 HydrophobicContact CZ3-CB 3.73Å; P592-F594 PolarHBondContact O-N 3.01Å
593	E	84	Confident	72.9	Confident	92 Å²	92	66.3 Å²	66.3	43%	0.43	37%	0.37	S	S	.	.			trans	-70.9	116.1	175.1	-79.6	-58.2	147.7	0	0	111.4	Y556 S595 I596 A597	Y556-E593 WeakPolarHBondContact OH-CB 3.32Å; Y556-E593 WeakPolarHBondContact OH-CG 3.43Å; Y556-E593 PolarHBondContact OH-N 3.11Å; E593-S595 PolarHBondContact O-N 3Å; E593-I596 HydrophobicContact CB-CB 4.46Å; E593-I596 HydrophobicContact CB-CD1 4.05Å; E593-I596 HydrophobicContact CB-CG1 4.09Å; E593-I596 PolarHBondContact O-N 3.48Å; E593-A597 PolarHBondContact O-N 3.19Å
594	F	84.6	Confident	75.3	Confident	60 Å²	60	59.6 Å²	59.6	26%	0.263	34%	0.337	S	S	.	.	H	α-helix	trans	-55.1	-37.8	-179.4	176.8	-107.1	0	0	0	112.7	M311 N315 F318 V319 P592 I596 A597 V598	M311-F594 HydrophobicContact CE-CD2 3.86Å; M311-F594 HydrophobicContact CE-CE2 3.73Å; M311-F594 HydrophobicContact SD-CE2 4.31Å; N315-F594 HydrophobicContact CB-CD2 4.37Å; N315-F594 HydrophobicContact CB-CE2 3.64Å; N315-F594 HydrophobicContact CB-CZ 3.76Å; F318-F594 HydrophobicContact CD1-CE1 4.06Å; F318-F594 AromaticContact CD1-CZ 3.8Å; F318-F594 HydrophobicContact CD1-CZ 3.8Å; F318-F594 HydrophobicContact CE1-CE1 4.41Å; F318-F594 HydrophobicContact CE1-CZ 4.5Å; V319-F594 HydrophobicContact CG2-CE2 3.42Å; V319-F594 VanDerWaalsContact CG2-CE2 3.42Å; V319-F594 HydrophobicContact CG2-CZ 3.71Å; P592-F594 PolarHBondContact O-N 3.01Å; F594-I596 VanDerWaalsContact C-N 3.32Å; F594-I596 PolarHBondContact O-N 3.33Å; F594-A597 PolarHBondContact O-N 2.67Å; F594-V598 HydrophobicContact CD1-CG2 4.22Å; F594-V598 HydrophobicContact CD2-CG2 4.46Å; F594-V598 HydrophobicContact CE1-CG2 3.89Å; F594-V598 HydrophobicContact CE2-CG2 4.15Å; F594-V598 HydrophobicContact CZ-CG2 3.87Å; F594-V598 WeakPolarHBondContact O-CG2 3.47Å; F594-V598 PolarHBondContact O-N 3.14Å
595	S	88	Confident	78.3	Confident	74 Å²	74	55.8 Å²	55.8	52%	0.517	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-39.4	177.3	55.4	0	0	0	0	112.7	E593 L599	E593-S595 PolarHBondContact O-N 3Å; S595-L599 VanDerWaalsContact O-CB 3.24Å; S595-L599 WeakPolarHBondContact O-CB 3.1Å; S595-L599 PolarHBondContact O-N 3.12Å
596	I	91.2	Very high	81.1	Confident	41 Å²	41	49.4 Å²	49.4	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-39.1	179.7	-61.6	179.7	0	0	0	110.5	C553 Y556 E593 F594 L599 K600	C553-I596 HydrophobicContact CB-CG2 4.08Å; Y556-I596 HydrophobicContact CD1-CB 4.32Å; Y556-I596 HydrophobicContact CD1-CD1 3.85Å; Y556-I596 HydrophobicContact CD1-CG2 3.76Å; Y556-I596 HydrophobicContact CD2-CD1 3.8Å; Y556-I596 HydrophobicContact CE1-CB 4.26Å; Y556-I596 HydrophobicContact CE1-CD1 3.74Å; Y556-I596 HydrophobicContact CE1-CG2 4.2Å; Y556-I596 HydrophobicContact CE2-CD1 3.71Å; Y556-I596 HydrophobicContact CG-CD1 3.88Å; Y556-I596 HydrophobicContact CG-CG2 4.33Å; E593-I596 HydrophobicContact CB-CB 4.46Å; E593-I596 HydrophobicContact CB-CD1 4.05Å; E593-I596 HydrophobicContact CB-CG1 4.09Å; E593-I596 PolarHBondContact O-N 3.48Å; F594-I596 VanDerWaalsContact C-N 3.32Å; F594-I596 PolarHBondContact O-N 3.33Å; I596-L599 PolarHBondContact O-N 2.88Å; I596-K600 PolarHBondContact O-N 2.89Å
597	A	86.8	Confident	83.5	Confident	7 Å²	7	47.1 Å²	47.1	6%	0.058	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-48.1	173.4	0	0	0	0	0	111.5	I470 E593 F594 L599 K600 Y601	I470-A597 HydrophobicContact CD1-CB 3.93Å; I470-A597 HydrophobicContact CG2-CB 4.43Å; E593-A597 PolarHBondContact O-N 3.19Å; F594-A597 PolarHBondContact O-N 2.67Å; A597-L599 VanDerWaalsContact C-N 3.31Å; A597-L599 PolarHBondContact O-N 3.38Å; A597-K600 WeakPolarHBondContact O-CB 3.02Å; A597-K600 PolarHBondContact O-N 2.84Å; A597-Y601 HydrophobicContact CB-CE2 4.48Å; A597-Y601 WeakPolarHBondContact O-CD2 3.06Å; A597-Y601 WeakPolarHBondContact O-CE2 3.34Å
598	V	90.9	Very high	85.7	Confident	17 Å²	17	41.6 Å²	41.6	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-40.3	176.2	169.9	0	0	0	0	112	F318 V319 W322 F594 F602	F318-V598 HydrophobicContact CD1-CG2 4.47Å; F318-V598 HydrophobicContact CE1-CG1 4.07Å; F318-V598 HydrophobicContact CE1-CG2 4.15Å; V319-V598 HydrophobicContact CG2-CG2 4.07Å; W322-V598 HydrophobicContact CD2-CG1 4.15Å; W322-V598 HydrophobicContact CG-CG1 4.13Å; W322-V598 HydrophobicContact CZ2-CG1 4.32Å; W322-V598 PolarHBondContact NE1-O 3.42Å; F594-V598 HydrophobicContact CD1-CG2 4.22Å; F594-V598 HydrophobicContact CD2-CG2 4.46Å; F594-V598 HydrophobicContact CE1-CG2 3.89Å; F594-V598 HydrophobicContact CE2-CG2 4.15Å; F594-V598 HydrophobicContact CZ-CG2 3.87Å; F594-V598 WeakPolarHBondContact O-CG2 3.47Å; F594-V598 PolarHBondContact O-N 3.14Å; V598-F602 PolarHBondContact O-N 3.22Å
599	L	94.5	Very high	87.7	Confident	63 Å²	63	36.9 Å²	36.9	33%	0.33	20%	0.198	S	C	.	.	H	α-helix	trans	-64	-40.2	177	-178.4	61.3	0	0	0	112.4	I549 S595 I596 A597 Y601 F602 M603	I549-L599 HydrophobicContact CG2-CD1 4.16Å; I549-L599 HydrophobicContact CG2-CD2 3.69Å; I549-L599 HydrophobicContact CG2-CG 3.8Å; S595-L599 VanDerWaalsContact O-CB 3.24Å; S595-L599 WeakPolarHBondContact O-CB 3.1Å; S595-L599 PolarHBondContact O-N 3.12Å; I596-L599 PolarHBondContact O-N 2.88Å; A597-L599 VanDerWaalsContact C-N 3.31Å; A597-L599 PolarHBondContact O-N 3.38Å; L599-Y601 PolarHBondContact O-N 3.44Å; L599-F602 HydrophobicContact CD1-CD1 4.37Å; L599-F602 PolarHBondContact O-N 3.19Å; L599-M603 HydrophobicContact CD1-CE 3.64Å; L599-M603 HydrophobicContact CD1-CG 4.06Å; L599-M603 HydrophobicContact CG-CG 4.45Å; L599-M603 WeakPolarHBondContact O-CG 3.46Å; L599-M603 PolarHBondContact O-N 3.13Å
600	K	95.1	Very high	89.3	Confident	12 Å²	12	35.3 Å²	35.3	5%	0.052	19%	0.189	C	C	.	.	H	α-helix	trans	-53.3	-55.8	177.7	-172.8	175.8	68.6	-174.1	0	111.7	L550 C553 Y554 E557 I596 A597 F602 M603 C604	L550-K600 HydrophobicContact CD1-CG 3.71Å; C553-K600 HydrophobicContact CB-CB 4.15Å; C553-K600 HydrophobicContact CB-CD 4.44Å; C553-K600 HydrophobicContact CB-CG 4.23Å; Y554-K600 HydrophobicContact CD1-CD 4.35Å; Y554-K600 HydrophobicContact CE1-CD 3.85Å; E557-K600 VanDerWaalsContact CD-NZ 3.25Å; E557-K600 WeakPolarHBondContact OE1-CD 3.43Å; E557-K600 WeakPolarHBondContact OE1-CE 3.22Å; E557-K600 IonicContact OE1-NZ 2.76Å; E557-K600 PolarHBondContact OE1-NZ 3.36Å; E557-K600 IonicContact OE2-NZ 3.25Å; E557-K600 PolarHBondContact OE2-NZ 3.36Å; I596-K600 PolarHBondContact O-N 2.89Å; A597-K600 WeakPolarHBondContact O-CB 3.02Å; A597-K600 PolarHBondContact O-N 2.84Å; K600-F602 PolarHBondContact O-N 2.82Å; K600-M603 PolarHBondContact O-N 2.89Å; K600-C604 PolarHBondContact O-N 3.34Å; K600-C604 PolarHBondContact O-SG 3.07Å; K600-C604 VanDerWaalsContact O-SG 3.33Å
601	Y	94.4	Very high	90.2	Very high	6 Å²	6	34 Å²	34	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-69.7	-32.5	-177.4	-50.2	-74.2	0	0	0	112.8	I323 Y369 D468 I470 S471 A597 L599 C604 L605	I323-Y601 HydrophobicContact CD1-CD1 4.2Å; I323-Y601 HydrophobicContact CD1-CD2 3.78Å; I323-Y601 HydrophobicContact CD1-CE2 4.39Å; I323-Y601 HydrophobicContact CD1-CG 3.71Å; I323-Y601 HydrophobicContact CG1-CD2 4.35Å; I323-Y601 HydrophobicContact CG1-CG 4.15Å; Y369-Y601 HydrophobicContact CE1-CD1 4.27Å; D468-Y601 PolarHBondContact OD1-OH 3.33Å; D468-Y601 VanDerWaalsContact OD2-CE1 3.3Å; D468-Y601 WeakPolarHBondContact OD2-CE1 3.06Å; D468-Y601 VanDerWaalsContact OD2-CZ 3.28Å; D468-Y601 PolarHBondContact OD2-OH 3.13Å; I470-Y601 HydrophobicContact CG2-CE2 3.79Å; S471-Y601 VanDerWaalsContact CB-CE1 3.47Å; A597-Y601 HydrophobicContact CB-CE2 4.48Å; A597-Y601 WeakPolarHBondContact O-CD2 3.06Å; A597-Y601 WeakPolarHBondContact O-CE2 3.34Å; L599-Y601 PolarHBondContact O-N 3.44Å; Y601-C604 PolarHBondContact O-N 3.4Å; Y601-L605 PolarHBondContact O-N 3.04Å
602	F	95.5	Very high	90.8	Very high	44 Å²	44	28.4 Å²	28.4	19%	0.193	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-47.6	172.7	171.4	-127.3	0	0	0	111.6	W322 W326 V598 L599 K600 C604 L605 V606	W322-F602 HydrophobicContact CZ2-CB 4.26Å; W322-F602 HydrophobicContact CZ2-CG 4.24Å; W326-F602 AromaticContact CD1-CD2 3.88Å; W326-F602 AromaticContact CD2-CD2 3.64Å; W326-F602 HydrophobicContact CD2-CD2 3.64Å; W326-F602 AromaticContact CD2-CE2 3.76Å; W326-F602 HydrophobicContact CD2-CE2 3.76Å; W326-F602 AromaticContact CE2-CD2 3.49Å; W326-F602 VanDerWaalsContact CE2-CD2 3.49Å; W326-F602 AromaticContact CE2-CE2 3.53Å; W326-F602 HydrophobicContact CE3-CD2 4.2Å; W326-F602 AromaticContact CE3-CE2 3.92Å; W326-F602 HydrophobicContact CE3-CE2 3.92Å; W326-F602 AromaticContact CG-CD2 3.91Å; W326-F602 HydrophobicContact CG-CD2 3.91Å; W326-F602 HydrophobicContact CG-CE2 4.5Å; W326-F602 HydrophobicContact CH2-CD2 4.47Å; W326-F602 AromaticContact CH2-CE2 3.68Å; W326-F602 HydrophobicContact CH2-CE2 3.68Å; W326-F602 HydrophobicContact CH2-CZ 4.38Å; W326-F602 AromaticContact CZ2-CD2 3.95Å; W326-F602 HydrophobicContact CZ2-CD2 3.95Å; W326-F602 AromaticContact CZ2-CE2 3.5Å; W326-F602 HydrophobicContact CZ2-CE2 3.5Å; W326-F602 VanDerWaalsContact CZ2-CE2 3.5Å; W326-F602 HydrophobicContact CZ2-CZ 4.25Å; W326-F602 AromaticContact CZ3-CE2 3.88Å; W326-F602 HydrophobicContact CZ3-CE2 3.88Å; W326-F602 AromaticContact NE1-CD2 3.63Å; V598-F602 PolarHBondContact O-N 3.22Å; L599-F602 HydrophobicContact CD1-CD1 4.37Å; L599-F602 PolarHBondContact O-N 3.19Å; K600-F602 PolarHBondContact O-N 2.82Å; F602-C604 VanDerWaalsContact C-N 3.3Å; F602-C604 PolarHBondContact O-N 2.92Å; F602-L605 PolarHBondContact O-N 3.17Å; F602-V606 HydrophobicContact CD2-CB 4.33Å; F602-V606 HydrophobicContact CE2-CB 3.9Å; F602-V606 HydrophobicContact CE2-CG2 3.92Å; F602-V606 HydrophobicContact CZ-CB 4.24Å; F602-V606 HydrophobicContact CZ-CG2 3.98Å; F602-V606 PolarHBondContact O-N 3.15Å
603	M	96.2	Very high	91	Very high	22 Å²	22	31.7 Å²	31.7	11%	0.108	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-29.3	178.9	-67.3	-61.6	167.8	0	0	112.9	P546 I549 L599 K600 L605 V606	P546-M603 HydrophobicContact CB-CB 4.17Å; P546-M603 HydrophobicContact CB-SD 3.88Å; P546-M603 HydrophobicContact CG-SD 4.08Å; I549-M603 HydrophobicContact CB-CG 4.1Å; I549-M603 HydrophobicContact CD1-CE 3.69Å; I549-M603 HydrophobicContact CD1-SD 4.15Å; I549-M603 HydrophobicContact CG2-CE 4.44Å; I549-M603 HydrophobicContact CG2-CG 3.77Å; L599-M603 HydrophobicContact CD1-CE 3.64Å; L599-M603 HydrophobicContact CD1-CG 4.06Å; L599-M603 HydrophobicContact CG-CG 4.45Å; L599-M603 WeakPolarHBondContact O-CG 3.46Å; L599-M603 PolarHBondContact O-N 3.13Å; K600-M603 PolarHBondContact O-N 2.89Å; M603-L605 VanDerWaalsContact C-N 3.27Å; M603-L605 PolarHBondContact O-N 2.84Å; M603-V606 HydrophobicContact SD-CG1 4.12Å
604	C	95.3	Very high	90.9	Very high	14 Å²	14	27.8 Å²	27.8	10%	0.095	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-27	169.2	-72	0	0	0	0	113.9	Y362 L550 K600 Y601 F602	Y362-C604 VanDerWaalsContact CE1-O 3.29Å; Y362-C604 WeakPolarHBondContact CE1-O 3.16Å; L550-C604 VanDerWaalsContact CD1-SG 3.57Å; K600-C604 PolarHBondContact O-N 3.34Å; K600-C604 PolarHBondContact O-SG 3.07Å; K600-C604 VanDerWaalsContact O-SG 3.33Å; Y601-C604 PolarHBondContact O-N 3.4Å; F602-C604 VanDerWaalsContact C-N 3.3Å; F602-C604 PolarHBondContact O-N 2.92Å
605	L	96	Very high	90.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-106.2	-32.1	-171.5	-72.7	167.5	0	0	0	114.1	W326 A327 C330 Y369 Y601 F602 M603 V607 G608	W326-L605 HydrophobicContact CB-CB 4.11Å; W326-L605 HydrophobicContact CB-CD1 3.88Å; A327-L605 HydrophobicContact CB-CD1 4.3Å; C330-L605 HydrophobicContact CB-CB 4.49Å; C330-L605 HydrophobicContact CB-CD2 4.23Å; C330-L605 PolarHBondContact SG-O 3.24Å; Y369-L605 HydrophobicContact CD2-CD1 4.41Å; Y369-L605 HydrophobicContact CD2-CD2 3.82Å; Y369-L605 HydrophobicContact CD2-CG 4.43Å; Y369-L605 HydrophobicContact CE2-CD2 4.08Å; Y369-L605 HydrophobicContact CE2-CG 4.36Å; Y601-L605 PolarHBondContact O-N 3.04Å; F602-L605 PolarHBondContact O-N 3.17Å; M603-L605 VanDerWaalsContact C-N 3.27Å; M603-L605 PolarHBondContact O-N 2.84Å; L605-V607 PolarHBondContact O-N 3.25Å; L605-V607 VanDerWaalsContact O-N 3.12Å; L605-G608 PolarHBondContact O-N 2.9Å
606	V	95.2	Very high	90.7	Very high	26 Å²	26	30.6 Å²	30.6	16%	0.158	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-28.9	-174.3	70.7	0	0	0	0	113.9	P546 F602 M603 G608 I609 T610	P546-V606 HydrophobicContact CB-CG1 3.97Å; P546-V606 HydrophobicContact CG-CG1 3.59Å; F602-V606 HydrophobicContact CD2-CB 4.33Å; F602-V606 HydrophobicContact CE2-CB 3.9Å; F602-V606 HydrophobicContact CE2-CG2 3.92Å; F602-V606 HydrophobicContact CZ-CB 4.24Å; F602-V606 HydrophobicContact CZ-CG2 3.98Å; F602-V606 PolarHBondContact O-N 3.15Å; M603-V606 HydrophobicContact SD-CG1 4.12Å; V606-G608 VanDerWaalsContact C-N 3.34Å; V606-G608 PolarHBondContact O-N 2.89Å; V606-I609 WeakPolarHBondContact O-CB 3.38Å; V606-I609 PolarHBondContact O-N 2.73Å; V606-T610 PolarHBondContact O-N 2.86Å; V606-T610 VanDerWaalsContact O-N 3.14Å
607	V	93.3	Very high	90.4	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-34.9	-178.7	-178.6	0	0	0	0	112.8	L358 Y362 Y543 P546 L605 I609 T610 S611	L358-V607 HydrophobicContact CD2-CG1 4.09Å; Y362-V607 HydrophobicContact CD2-CB 4.34Å; Y362-V607 HydrophobicContact CD2-CG1 4.01Å; Y362-V607 HydrophobicContact CE1-CB 4.09Å; Y362-V607 HydrophobicContact CE2-CB 3.76Å; Y362-V607 HydrophobicContact CE2-CG1 3.33Å; Y543-V607 HydrophobicContact CD2-CG1 3.51Å; Y543-V607 HydrophobicContact CD2-CG2 4.39Å; Y543-V607 HydrophobicContact CE2-CG1 3.71Å; P546-V607 HydrophobicContact CB-CG2 3.74Å; P546-V607 HydrophobicContact CG-CG2 3.87Å; L605-V607 PolarHBondContact O-N 3.25Å; L605-V607 VanDerWaalsContact O-N 3.12Å; V607-I609 PolarHBondContact O-N 3.41Å; V607-T610 PolarHBondContact O-N 3.41Å; V607-T610 PolarHBondContact O-OG1 2.92Å; V607-T610 VanDerWaalsContact O-OG1 3.06Å; V607-S611 PolarHBondContact O-N 2.03Å
608	G	93.3	Very high	90.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.4	-15.6	174.5	0	0	0	0	0	113.4	S333 T334 L605 V606 S611	S333-G608 VanDerWaalsContact CB-O 3.31Å; S333-G608 WeakPolarHBondContact CB-O 3.21Å; S333-G608 PolarHBondContact OG-O 3.46Å; T334-G608 WeakPolarHBondContact CG2-O 3.42Å; L605-G608 PolarHBondContact O-N 2.9Å; V606-G608 VanDerWaalsContact C-N 3.34Å; V606-G608 PolarHBondContact O-N 2.89Å; G608-S611 PolarHBondContact O-OG 3.25Å
609	I	93.2	Very high	90.2	Very high	39 Å²	39	41 Å²	41	20%	0.2	21%	0.205	C	C	.	.	H	α-helix	trans	-84.4	-43.7	174.5	-55.8	174.8	0	0	0	109.8	W326 L329 C330 S333 V606 V607 S611 G612	W326-I609 HydrophobicContact CE3-CD1 3.54Å; W326-I609 HydrophobicContact CZ3-CD1 3.8Å; L329-I609 HydrophobicContact CB-CD1 3.69Å; L329-I609 HydrophobicContact CB-CG1 4.33Å; C330-I609 HydrophobicContact CB-CG1 4.16Å; S333-I609 WeakPolarHBondContact OG-CA 3.32Å; S333-I609 PolarHBondContact OG-O 2.7Å; V606-I609 WeakPolarHBondContact O-CB 3.38Å; V606-I609 PolarHBondContact O-N 2.73Å; V607-I609 PolarHBondContact O-N 3.41Å; I609-S611 VanDerWaalsContact C-N 3.26Å; I609-S611 PolarHBondContact O-N 3.34Å; I609-G612 PolarHBondContact O-N 2.88Å; I609-G612 VanDerWaalsContact O-N 3.15Å
610	T	90.3	Very high	89.9	Confident	41 Å²	41	38.6 Å²	38.6	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-29.1	178	62.2	0	0	0	0	112.6	V606 V607 I613	V606-T610 PolarHBondContact O-N 2.86Å; V606-T610 VanDerWaalsContact O-N 3.14Å; V607-T610 PolarHBondContact O-N 3.41Å; V607-T610 PolarHBondContact O-OG1 2.92Å; V607-T610 VanDerWaalsContact O-OG1 3.06Å; T610-I613 WeakPolarHBondContact O-CB 3.28Å; T610-I613 PolarHBondContact O-N 3.34Å
611	S	84.6	Confident	89.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.8	-25.6	175.3	79	0	0	0	0	113.8	S359 V607 G608 I609 I613 W614	S359-S611 WeakPolarHBondContact OG-CB 3.47Å; S359-S611 PolarHBondContact OG-OG 3.24Å; V607-S611 PolarHBondContact O-N 2.03Å; G608-S611 PolarHBondContact O-OG 3.25Å; I609-S611 VanDerWaalsContact C-N 3.26Å; I609-S611 PolarHBondContact O-N 3.34Å; S611-I613 VanDerWaalsContact C-N 3.32Å; S611-I613 PolarHBondContact O-N 3.04Å; S611-W614 WeakPolarHBondContact O-CB 3.3Å; S611-W614 PolarHBondContact O-N 3.48Å; S611-W614 VanDerWaalsContact O-N 3.13Å
612	G	83.8	Confident	89.4	Confident	4 Å²	4	46.1 Å²	46.1	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-35.6	169.8	0	0	0	0	0	113	S333 T337 I609 W614 I615	S333-G612 VanDerWaalsContact OG-CA 3.27Å; S333-G612 WeakPolarHBondContact OG-CA 3.48Å; S333-G612 PolarHBondContact OG-N 2.94Å; T337-G612 WeakPolarHBondContact OG1-CA 3.16Å; I609-G612 PolarHBondContact O-N 2.88Å; I609-G612 VanDerWaalsContact O-N 3.15Å; G612-W614 PolarHBondContact O-N 2.04Å; G612-I615 WeakPolarHBondContact O-CG1 3.41Å; G612-I615 PolarHBondContact O-N 3.45Å
613	I	84.8	Confident	89	Confident	101 Å²	101	44.1 Å²	44.1	52%	0.518	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-24.4	175	-52.3	175.1	0	0	0	110.8	T610 S611 I615 W616	T610-I613 WeakPolarHBondContact O-CB 3.28Å; T610-I613 PolarHBondContact O-N 3.34Å; S611-I613 VanDerWaalsContact C-N 3.32Å; S611-I613 PolarHBondContact O-N 3.04Å; I613-I615 PolarHBondContact O-N 3.05Å; I613-W616 PolarHBondContact O-N 3.45Å
614	W	82.2	Confident	88.8	Confident	9 Å²	9	46.4 Å²	46.4	3%	0.034	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-45	176	-171.8	-97	0	0	0	112.8	E352 I355 L532 R535 I536 F539 S611 G612 W616	E352-W614 HydrophobicContact CG-CZ2 4.11Å; E352-W614 PolarHBondContact OE2-NE1 3.19Å; I355-W614 HydrophobicContact CD1-CD2 3.68Å; I355-W614 HydrophobicContact CD1-CE3 4.03Å; I355-W614 HydrophobicContact CD1-CG 4.17Å; I355-W614 HydrophobicContact CD1-CH2 4.22Å; I355-W614 HydrophobicContact CD1-CZ2 3.9Å; I355-W614 HydrophobicContact CD1-CZ3 4.27Å; I355-W614 HydrophobicContact CG2-CB 4.24Å; I355-W614 HydrophobicContact CG2-CG 4.06Å; L532-W614 HydrophobicContact CD1-CZ2 4.27Å; R535-W614 HydrophobicContact CB-CH2 3.76Å; R535-W614 HydrophobicContact CB-CZ3 4.12Å; R535-W614 HydrophobicContact CG-CE3 4.47Å; R535-W614 HydrophobicContact CG-CH2 3.55Å; R535-W614 HydrophobicContact CG-CZ3 3.53Å; R535-W614 VanDerWaalsContact CZ-O 3.3Å; R535-W614 VanDerWaalsContact NH1-CE2 3.29Å; R535-W614 PolarHBondContact NH1-O 3.44Å; R535-W614 PolarHBondContact NH2-O 3.3Å; R535-W614 WeakPolarHBondContact O-CZ3 3.45Å; I536-W614 HydrophobicContact CB-CH2 4.21Å; I536-W614 HydrophobicContact CG1-CH2 3.49Å; I536-W614 VanDerWaalsContact CG1-CH2 3.49Å; I536-W614 HydrophobicContact CG1-CZ2 3.76Å; F539-W614 HydrophobicContact CB-CE3 3.84Å; F539-W614 HydrophobicContact CB-CZ3 3.66Å; F539-W614 HydrophobicContact CD2-CE3 4.19Å; F539-W614 AromaticContact CG-CE3 3.98Å; F539-W614 HydrophobicContact CG-CE3 3.98Å; F539-W614 HydrophobicContact CG-CZ3 4.28Å; S611-W614 WeakPolarHBondContact O-CB 3.3Å; S611-W614 PolarHBondContact O-N 3.48Å; S611-W614 VanDerWaalsContact O-N 3.13Å; G612-W614 PolarHBondContact O-N 2.04Å; W614-W616 VanDerWaalsContact C-N 3.32Å; W614-W616 PolarHBondContact O-N 2.9Å
615	I	84.5	Confident	88.5	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-78.1	-14.3	-175.8	56.4	148.1	0	0	0	113.3	V336 T337 T340 F348 G612 I613 S617 T620	V336-I615 HydrophobicContact CG1-CD1 3.92Å; T337-I615 HydrophobicContact CG2-CG2 3.97Å; T340-I615 HydrophobicContact CG2-CB 4.39Å; T340-I615 HydrophobicContact CG2-CD1 4.34Å; T340-I615 HydrophobicContact CG2-CG2 4.38Å; T340-I615 VanDerWaalsContact OG1-CD1 3.32Å; T340-I615 WeakPolarHBondContact OG1-CD1 3.31Å; F348-I615 HydrophobicContact CE1-CG2 4.39Å; F348-I615 HydrophobicContact CZ-CG2 4.33Å; G612-I615 WeakPolarHBondContact O-CG1 3.41Å; G612-I615 PolarHBondContact O-N 3.45Å; I613-I615 PolarHBondContact O-N 3.05Å; I615-S617 PolarHBondContact O-N 3.13Å; I615-S617 PolarHBondContact O-OG 3.39Å; I615-T620 WeakPolarHBondContact O-CB 3.41Å; I615-T620 PolarHBondContact O-OG1 3.5Å
616	W	84.3	Confident	88.2	Confident	192 Å²	192	59.1 Å²	59.1	73%	0.727	28%	0.283	S	S	*	.			trans	-64.7	109.3	179.1	-74	22.3	0	0	0	110.8	I613 W614	I613-W616 PolarHBondContact O-N 3.45Å; W614-W616 VanDerWaalsContact C-N 3.32Å; W614-W616 PolarHBondContact O-N 2.9Å
617	S	84.6	Confident	87.9	Confident	39 Å²	39	61.4 Å²	61.4	27%	0.273	29%	0.291	S	S	.	.	S	Bend	trans	-167.9	158.4	178.6	56.8	0	0	0	0	110.1	R347 I615 K619 T620 V621	R347-S617 PolarHBondContact NH2-OG 3.11Å; I615-S617 PolarHBondContact O-N 3.13Å; I615-S617 PolarHBondContact O-OG 3.39Å; S617-K619 VanDerWaalsContact C-N 3.29Å; S617-K619 PolarHBondContact O-N 2.93Å; S617-T620 VanDerWaalsContact O-CB 3.32Å; S617-T620 WeakPolarHBondContact O-CB 3.44Å; S617-T620 PolarHBondContact O-N 3.26Å; S617-T620 PolarHBondContact OG-OG1 2.92Å; S617-V621 PolarHBondContact O-N 3.31Å
618	P	87.3	Confident	87.7	Confident	101 Å²	101	64 Å²	64	66%	0.656	31%	0.309	S	S	*	.	H	α-helix	trans	-53.7	-43.5	178.4	-28.2	36	0	0	0	113.2	T620 V621 D622	P618-T620 PolarHBondContact O-N 2.76Å; P618-V621 CarbonylContact O-C 3.58Å; P618-V621 WeakPolarHBondContact O-CA 3.48Å; P618-V621 WeakPolarHBondContact O-CB 3.34Å; P618-V621 PolarHBondContact O-N 3.17Å; P618-D622 PolarHBondContact O-N 3.44Å
619	K	85.1	Confident	87.6	Confident	143 Å²	143	70 Å²	70	62%	0.622	33%	0.332	S	S	*	.	H	α-helix	trans	-53.6	-29.2	175.6	-63.2	-176.7	-179.7	-178.9	0	113.9	R347 S617 S623	R347-K619 PolarHBondContact NH1-O 3.24Å; S617-K619 VanDerWaalsContact C-N 3.29Å; S617-K619 PolarHBondContact O-N 2.93Å; K619-S623 PolarHBondContact O-N 3.49Å; K619-S623 PolarHBondContact O-OG 3.33Å; K619-S623 VanDerWaalsContact O-OG 3.13Å
620	T	88.4	Confident	87.2	Confident	13 Å²	13	77 Å²	77	8%	0.08	36%	0.356	C	S	.	.	H	α-helix	trans	-74.1	-45.8	175.4	-60.1	0	0	0	0	110.5	T340 R347 I615 S617 P618 D622 S623 W624	T340-T620 HydrophobicContact CG2-CG2 3.77Å; R347-T620 PolarHBondContact NH1-OG1 2.95Å; R347-T620 PolarHBondContact NH2-OG1 3.47Å; I615-T620 WeakPolarHBondContact O-CB 3.41Å; I615-T620 PolarHBondContact O-OG1 3.5Å; S617-T620 VanDerWaalsContact O-CB 3.32Å; S617-T620 WeakPolarHBondContact O-CB 3.44Å; S617-T620 PolarHBondContact O-N 3.26Å; S617-T620 PolarHBondContact OG-OG1 2.92Å; P618-T620 PolarHBondContact O-N 2.76Å; T620-D622 PolarHBondContact O-N 2.84Å; T620-S623 PolarHBondContact O-N 2.83Å; T620-W624 VanDerWaalsContact O-CD1 3.25Å; T620-W624 PolarHBondContact O-N 3.01Å
621	V	89.8	Confident	87	Confident	99 Å²	99	79.5 Å²	79.5	60%	0.6	37%	0.367	S	S	*	.	H	α-helix	trans	-56.7	-40.4	172	-173.1	0	0	0	0	110.3	S617 P618 R625	S617-V621 PolarHBondContact O-N 3.31Å; P618-V621 CarbonylContact O-C 3.58Å; P618-V621 WeakPolarHBondContact O-CA 3.48Å; P618-V621 WeakPolarHBondContact O-CB 3.34Å; P618-V621 PolarHBondContact O-N 3.17Å; V621-R625 WeakPolarHBondContact O-CB 3.19Å; V621-R625 PolarHBondContact O-N 2.04Å
622	D	89.1	Confident	86.9	Confident	76 Å²	76	83.6 Å²	83.6	41%	0.406	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-41.6	176	-61.6	-45.6	0	0	0	113.6	P618 T620 R626	P618-D622 PolarHBondContact O-N 3.44Å; T620-D622 PolarHBondContact O-N 2.84Å; D622-R626 WeakPolarHBondContact O-CB 3.35Å; D622-R626 WeakPolarHBondContact O-CG 3.39Å; D622-R626 PolarHBondContact O-N 2.96Å; D622-R626 PolarHBondContact O-NE 2.81Å
623	S	88.3	Confident	86.6	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.021	42%	0.423	C	S	.	.	H	α-helix	trans	-68.1	-41.6	175.6	-62.1	0	0	0	0	111.8	D344 K619 T620 R626 F627	D344-S623 PolarHBondContact OD2-OG 2.79Å; K619-S623 PolarHBondContact O-N 3.49Å; K619-S623 PolarHBondContact O-OG 3.33Å; K619-S623 VanDerWaalsContact O-OG 3.13Å; T620-S623 PolarHBondContact O-N 2.83Å; S623-R626 PolarHBondContact O-N 3.03Å; S623-R626 PolarHBondContact OG-NH2 3.41Å; S623-F627 WeakPolarHBondContact O-CB 3.05Å; S623-F627 PolarHBondContact O-N 3.34Å
624	W	90.4	Very high	85.5	Confident	69 Å²	69	90.3 Å²	90.3	26%	0.261	42%	0.421	S	S	.	.	H	α-helix	trans	-66.5	-43.2	174.4	-81.5	84.9	0	0	0	112.2	V336 I339 T340 I343 T620 R626 F627 C628	V336-W624 HydrophobicContact CG1-CZ2 4.01Å; I339-W624 HydrophobicContact CB-CH2 4.03Å; I339-W624 HydrophobicContact CB-CZ2 3.97Å; I339-W624 HydrophobicContact CG2-CH2 3.42Å; I339-W624 VanDerWaalsContact CG2-CH2 3.42Å; I339-W624 HydrophobicContact CG2-CZ2 3.6Å; I339-W624 HydrophobicContact CG2-CZ3 4.26Å; T340-W624 PolarHBondContact OG1-NE1 3.23Å; I343-W624 HydrophobicContact CD1-CD2 3.94Å; I343-W624 HydrophobicContact CD1-CE3 4.17Å; I343-W624 HydrophobicContact CD1-CG 4.43Å; I343-W624 HydrophobicContact CD1-CH2 4.45Å; I343-W624 HydrophobicContact CD1-CZ2 4.2Å; I343-W624 HydrophobicContact CD1-CZ3 4.42Å; T620-W624 VanDerWaalsContact O-CD1 3.25Å; T620-W624 PolarHBondContact O-N 3.01Å; W624-R626 PolarHBondContact O-N 3.28Å; W624-F627 WeakPolarHBondContact O-CB 3.08Å; W624-F627 PolarHBondContact O-N 2.98Å; W624-F627 VanDerWaalsContact O-N 3.11Å; W624-C628 WeakPolarHBondContact O-CB 3.31Å; W624-C628 PolarHBondContact O-N 3.16Å; W624-C628 PolarHBondContact O-SG 2.98Å
625	R	90.9	Very high	84.4	Confident	143 Å²	143	93.5 Å²	93.5	54%	0.54	45%	0.445	S	S	.	.	H	α-helix	trans	-58.9	-45.1	175.3	-178	176.1	-179.8	-157.6	-3	111.5	V621 F627 Y629	V621-R625 WeakPolarHBondContact O-CB 3.19Å; V621-R625 PolarHBondContact O-N 2.04Å; R625-F627 VanDerWaalsContact C-N 3.33Å; R625-F627 PolarHBondContact O-N 3.01Å; R625-Y629 HydrophobicContact CG-CD2 3.94Å; R625-Y629 HydrophobicContact CG-CE2 3.48Å; R625-Y629 VanDerWaalsContact CG-CE2 3.48Å; R625-Y629 PolarHBondContact NE-OH 3.24Å; R625-Y629 VanDerWaalsContact NE-OH 3.12Å; R625-Y629 PolarHBondContact NH2-OH 3.28Å; R625-Y629 VanDerWaalsContact O-CD2 3.23Å; R625-Y629 WeakPolarHBondContact O-CD2 3.27Å; R625-Y629 PolarHBondContact O-N 3.05Å
626	R	88.7	Confident	83.1	Confident	139 Å²	139	101.9 Å²	101.9	53%	0.525	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-36.2	174.4	-72.6	177.4	-63.9	158.3	3.1	112.6	D344 D622 S623 W624 R630	D344-R626 IonicContact OD2-NH2 3.75Å; D622-R626 WeakPolarHBondContact O-CB 3.35Å; D622-R626 WeakPolarHBondContact O-CG 3.39Å; D622-R626 PolarHBondContact O-N 2.96Å; D622-R626 PolarHBondContact O-NE 2.81Å; S623-R626 PolarHBondContact O-N 3.03Å; S623-R626 PolarHBondContact OG-NH2 3.41Å; W624-R626 PolarHBondContact O-N 3.28Å; R626-R630 WeakPolarHBondContact O-CG 3.49Å; R626-R630 PolarHBondContact O-N 3.25Å
627	F	88.6	Confident	81.7	Confident	73 Å²	73	95.9 Å²	95.9	32%	0.32	46%	0.463	S	S	.	.	H	α-helix	trans	-69	-49.8	175.8	-179.8	-110.4	0	0	0	112.1	I343 S623 W624 R625 Y629 R630 L631	I343-F627 HydrophobicContact CD1-CB 4.06Å; I343-F627 HydrophobicContact CD1-CD1 3.57Å; I343-F627 HydrophobicContact CD1-CD2 4.26Å; I343-F627 HydrophobicContact CD1-CE1 3.99Å; I343-F627 HydrophobicContact CD1-CG 3.71Å; I343-F627 HydrophobicContact CG1-CB 4.37Å; I343-F627 HydrophobicContact CG1-CD1 4.12Å; I343-F627 HydrophobicContact CG1-CD2 3.91Å; I343-F627 HydrophobicContact CG1-CE1 4.35Å; I343-F627 HydrophobicContact CG1-CE2 4.17Å; I343-F627 HydrophobicContact CG1-CG 3.88Å; I343-F627 HydrophobicContact CG1-CZ 4.38Å; I343-F627 HydrophobicContact CG2-CB 3.98Å; I343-F627 HydrophobicContact CG2-CD2 4.43Å; I343-F627 HydrophobicContact CG2-CG 4.33Å; S623-F627 WeakPolarHBondContact O-CB 3.05Å; S623-F627 PolarHBondContact O-N 3.34Å; W624-F627 WeakPolarHBondContact O-CB 3.08Å; W624-F627 PolarHBondContact O-N 2.98Å; W624-F627 VanDerWaalsContact O-N 3.11Å; R625-F627 VanDerWaalsContact C-N 3.33Å; R625-F627 PolarHBondContact O-N 3.01Å; F627-Y629 PolarHBondContact O-N 3.22Å; F627-R630 WeakPolarHBondContact O-CB 3.35Å; F627-R630 PolarHBondContact O-N 3.01Å; F627-R630 VanDerWaalsContact O-N 3.1Å; F627-L631 HydrophobicContact CD1-CD1 4.05Å; F627-L631 HydrophobicContact CE1-CD1 3.54Å; F627-L631 HydrophobicContact CE1-CG 4.35Å; F627-L631 HydrophobicContact CE2-CD1 4.49Å; F627-L631 HydrophobicContact CZ-CD1 3.8Å; F627-L631 HydrophobicContact CZ-CD2 4.46Å; F627-L631 HydrophobicContact CZ-CG 4.29Å; F627-L631 PolarHBondContact O-N 3.19Å
628	C	90.6	Very high	80.2	Confident	59 Å²	59	97.7 Å²	97.7	40%	0.399	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-44.3	176.9	-67	0	0	0	0	112	W624 R630 L631 C632	W624-C628 WeakPolarHBondContact O-CB 3.31Å; W624-C628 PolarHBondContact O-N 3.16Å; W624-C628 PolarHBondContact O-SG 2.98Å; C628-R630 VanDerWaalsContact C-N 3.32Å; C628-R630 PolarHBondContact O-N 3.48Å; C628-L631 PolarHBondContact O-N 3.39Å; C628-C632 PolarHBondContact O-N 3.09Å; C628-C632 PolarHBondContact O-SG 3.44Å
629	Y	89.2	Confident	78.6	Confident	126 Å²	126	98 Å²	98	49%	0.494	47%	0.472	S	S	.	.	H	α-helix	trans	-59.5	-40.4	174.4	-74.1	-43.8	0	0	0	112.6	R625 F627 C632 L633	R625-Y629 HydrophobicContact CG-CD2 3.94Å; R625-Y629 HydrophobicContact CG-CE2 3.48Å; R625-Y629 VanDerWaalsContact CG-CE2 3.48Å; R625-Y629 PolarHBondContact NE-OH 3.24Å; R625-Y629 VanDerWaalsContact NE-OH 3.12Å; R625-Y629 PolarHBondContact NH2-OH 3.28Å; R625-Y629 VanDerWaalsContact O-CD2 3.23Å; R625-Y629 WeakPolarHBondContact O-CD2 3.27Å; R625-Y629 PolarHBondContact O-N 3.05Å; F627-Y629 PolarHBondContact O-N 3.22Å; Y629-C632 PolarHBondContact O-N 3.14Å; Y629-L633 WeakPolarHBondContact O-CB 3.43Å; Y629-L633 VanDerWaalsContact O-CG 3.25Å; Y629-L633 WeakPolarHBondContact O-CG 3.43Å; Y629-L633 PolarHBondContact O-N 3.39Å
630	R	86.6	Confident	77	Confident	184 Å²	184	96 Å²	96	69%	0.694	47%	0.469	S	S	*	.	H	α-helix	trans	-63.3	-40.7	176	-74.9	174.3	177.1	-170.1	-1.3	112.1	R626 F627 C628 W634	R626-R630 WeakPolarHBondContact O-CG 3.49Å; R626-R630 PolarHBondContact O-N 3.25Å; F627-R630 WeakPolarHBondContact O-CB 3.35Å; F627-R630 PolarHBondContact O-N 3.01Å; F627-R630 VanDerWaalsContact O-N 3.1Å; C628-R630 VanDerWaalsContact C-N 3.32Å; C628-R630 PolarHBondContact O-N 3.48Å; R630-W634 WeakPolarHBondContact O-CB 3.46Å; R630-W634 PolarHBondContact O-N 2.9Å
631	L	86.2	Confident	74.9	Confident	94 Å²	94	103.1 Å²	103.1	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-44.1	175.4	-68.1	179.2	0	0	0	112.4	F627 C628 L633 W634 S635	F627-L631 HydrophobicContact CD1-CD1 4.05Å; F627-L631 HydrophobicContact CE1-CD1 3.54Å; F627-L631 HydrophobicContact CE1-CG 4.35Å; F627-L631 HydrophobicContact CE2-CD1 4.49Å; F627-L631 HydrophobicContact CZ-CD1 3.8Å; F627-L631 HydrophobicContact CZ-CD2 4.46Å; F627-L631 HydrophobicContact CZ-CG 4.29Å; F627-L631 PolarHBondContact O-N 3.19Å; C628-L631 PolarHBondContact O-N 3.39Å; L631-L633 PolarHBondContact O-N 3.47Å; L631-W634 WeakPolarHBondContact O-CB 3.18Å; L631-W634 PolarHBondContact O-N 3.49Å; L631-S635 PolarHBondContact O-N 3.14Å
632	C	82	Confident	72.5	Confident	86 Å²	86	106.3 Å²	106.3	58%	0.581	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-40.4	178	-63.2	0	0	0	0	112.4	C628 Y629 W634 S635 R636	C628-C632 PolarHBondContact O-N 3.09Å; C628-C632 PolarHBondContact O-SG 3.44Å; Y629-C632 PolarHBondContact O-N 3.14Å; C632-W634 VanDerWaalsContact C-N 3.3Å; C632-W634 PolarHBondContact O-N 3.21Å; C632-S635 PolarHBondContact O-N 3.21Å; C632-R636 PolarHBondContact O-N 2.04Å
633	L	77.4	Confident	70.4	Confident	120 Å²	120	109.6 Å²	109.6	63%	0.628	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-35	173.4	-71.3	168.9	0	0	0	112	Y629 L631 S637	Y629-L633 WeakPolarHBondContact O-CB 3.43Å; Y629-L633 VanDerWaalsContact O-CG 3.25Å; Y629-L633 WeakPolarHBondContact O-CG 3.43Å; Y629-L633 PolarHBondContact O-N 3.39Å; L631-L633 PolarHBondContact O-N 3.47Å; L633-S637 WeakPolarHBondContact O-CB 3.38Å; L633-S637 PolarHBondContact O-N 2.91Å
634	W	62.2	Low	67.9	Low	127 Å²	127	117.8 Å²	117.8	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-67.1	-42.1	175.2	-99	48.5	0	0	0	113.5	P62 I63 R630 L631 C632 S637 S638	P62-W634 HydrophobicContact CB-CH2 4.18Å; I63-W634 HydrophobicContact CB-CH2 3.78Å; I63-W634 HydrophobicContact CB-CZ2 3.85Å; I63-W634 HydrophobicContact CD1-CH2 4.32Å; I63-W634 HydrophobicContact CD1-CZ2 3.55Å; I63-W634 HydrophobicContact CG1-CH2 4.03Å; I63-W634 HydrophobicContact CG1-CZ2 3.54Å; R630-W634 WeakPolarHBondContact O-CB 3.46Å; R630-W634 PolarHBondContact O-N 2.9Å; L631-W634 WeakPolarHBondContact O-CB 3.18Å; L631-W634 PolarHBondContact O-N 3.49Å; C632-W634 VanDerWaalsContact C-N 3.3Å; C632-W634 PolarHBondContact O-N 3.21Å; W634-S637 PolarHBondContact O-N 3.49Å; W634-S638 PolarHBondContact O-N 3.48Å; W634-S638 PolarHBondContact O-OG 2.79Å
635	S	58.8	Low	65.4	Low	75 Å²	75	117.3 Å²	117.3	52%	0.524	59%	0.586	S	S	.	*	H	α-helix	trans	-57.4	-53.3	173.2	-163.9	0	0	0	0	110.6	L631 C632 S637 S638 D639	L631-S635 PolarHBondContact O-N 3.14Å; C632-S635 PolarHBondContact O-N 3.21Å; S635-S637 VanDerWaalsContact C-N 3.3Å; S635-S637 PolarHBondContact O-N 3.04Å; S635-S638 WeakPolarHBondContact O-CB 3.34Å; S635-S638 PolarHBondContact O-N 2.97Å; S635-D639 PolarHBondContact O-N 2.85Å
636	R	56.7	Low	62.7	Low	179 Å²	179	117 Å²	117	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-61.4	-37.1	-178.7	-169.3	171	-179.7	164.9	1.6	112.9	C632 S638 D640	C632-R636 PolarHBondContact O-N 2.04Å; R636-S638 PolarHBondContact O-N 3.16Å; R636-D640 PolarHBondContact O-N 3.29Å
637	S	55.2	Low	60.3	Low	65 Å²	65	117.7 Å²	117.7	46%	0.455	62%	0.62	S	S	.	*	H	α-helix	trans	-71.8	-9.1	177.1	-175.4	0	0	0	0	114.3	L633 W634 S635	L633-S637 WeakPolarHBondContact O-CB 3.38Å; L633-S637 PolarHBondContact O-N 2.91Å; W634-S637 PolarHBondContact O-N 3.49Å; S635-S637 VanDerWaalsContact C-N 3.3Å; S635-S637 PolarHBondContact O-N 3.04Å
638	S	53.5	Low	57.9	Low	78 Å²	78	126.2 Å²	126.2	55%	0.545	65%	0.65	S	S	.	*	H	α-helix	trans	-92.5	-40.3	178.6	-60.8	0	0	0	0	111.3	W634 S635 R636 Q641	W634-S638 PolarHBondContact O-N 3.48Å; W634-S638 PolarHBondContact O-OG 2.79Å; S635-S638 WeakPolarHBondContact O-CB 3.34Å; S635-S638 PolarHBondContact O-N 2.97Å; R636-S638 PolarHBondContact O-N 3.16Å; S638-Q641 PolarHBondContact O-N 2.83Å
639	D	52.9	Low	55.3	Low	106 Å²	106	127.5 Å²	127.5	57%	0.567	67%	0.674	S	S	*	*	H	α-helix	trans	-66.2	-42.3	177.8	-59.9	-45.8	0	0	0	112.1	S635 Q641 L642	S635-D639 PolarHBondContact O-N 2.85Å; D639-Q641 PolarHBondContact O-N 3.4Å; D639-Q641 VanDerWaalsContact O-N 3.09Å; D639-L642 PolarHBondContact O-N 3.13Å
640	D	51.4	Low	52.8	Low	103 Å²	103	125 Å²	125	55%	0.551	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-19.3	-179.1	-77	-31.1	0	0	0	113.8	R636	R636-D640 PolarHBondContact O-N 3.29Å
641	Q	44.9	Very low	50.2	Low	162 Å²	162	126.2 Å²	126.2	76%	0.757	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-13.5	179.6	-72.1	-167.1	26.6	0	0	114.6	S638 D639	S638-Q641 PolarHBondContact O-N 2.83Å; D639-Q641 PolarHBondContact O-N 3.4Å; D639-Q641 VanDerWaalsContact O-N 3.09Å
642	L	39.4	Very low	47.9	Very low	165 Å²	165	127.5 Å²	127.5	86%	0.864	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-10.5	-176.3	-136.8	78.3	0	0	0	114.4	D639	D639-L642 PolarHBondContact O-N 3.13Å
643	I	43.7	Very low	45.5	Very low	145 Å²	145	130.9 Å²	130.9	74%	0.744	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	-21.3	-166.1	-66.7	177.8	0	0	0	114	G645	I643-G645 VanDerWaalsContact C-N 3.28Å; I643-G645 PolarHBondContact O-N 2.76Å
644	M	37.6	Very low	43.2	Very low	176 Å²	176	135.3 Å²	135.3	87%	0.867	73%	0.732	S	S	*	*			trans	-81.6	65.9	-178.7	-68.4	-155.6	-174.5	0	0	114.5
645	G	36	Very low	41.9	Very low	59 Å²	59	134.3 Å²	134.3	61%	0.608	74%	0.739	S	S	*	*			trans	-75.2	132	157.8	0	0	0	0	0	111.6	I643	I643-G645 VanDerWaalsContact C-N 3.28Å; I643-G645 PolarHBondContact O-N 2.76Å
646	T	36	Very low	40.8	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	75%	0.749	S	S	*	*			trans	46.8	98.6	161.1	55.2	0	0	0	0	119
647	T	37.3	Very low	39.6	Very low	154 Å²	154	132.1 Å²	132.1	95%	0.945	75%	0.754	S	S	*	*				-163.9	159.9	127.4	10	0	0	0	0	111.9
648	R	37.8	Very low	38.6	Very low	252 Å²	252	137.4 Å²	137.4	95%	0.951	77%	0.772	S	S	*	*			trans	-88.7	146.1	179.5	-78.6	173	162.9	162.7	-7.6	111.4
649	G	36.3	Very low	37.4	Very low	87 Å²	87	139.8 Å²	139.8	90%	0.897	78%	0.783	S	S	*	*			trans	89.7	68.5	142.6	0	0	0	0	0	117.7
650	G	35.9	Very low	36.2	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	80%	0.795	S	S	*	*			trans	-162.4	136.8	163.5	0	0	0	0	0	111.6
651	K	32.9	Very low	35.1	Very low	210 Å²	210	143.4 Å²	143.4	91%	0.913	80%	0.8	S	S	*	*			trans	-103	112.9	168.9	-77.5	-176.3	178.7	177.9	0	109.1
652	P	38.2	Very low	34.2	Very low	121 Å²	121	143.6 Å²	143.6	79%	0.786	80%	0.804	S	S	*	*			trans	-73.3	131.8	161.8	-11.6	28.3	0	0	0	109.4
653	L	31	Very low	33.6	Very low	156 Å²	156	144.3 Å²	144.3	82%	0.817	80%	0.8	S	S	*	*			trans	-75.4	138.2	158.8	-111.8	73	0	0	0	108.4
654	Y	29.7	Very low	32.9	Very low	214 Å²	214	142.3 Å²	142.3	84%	0.839	80%	0.799	S	S	*	*			trans	-137.1	123.7	158.8	-167.2	-93.5	0	0	0	109.4
655	V	34	Very low	32.5	Very low	105 Å²	105	142.5 Å²	142.5	64%	0.636	80%	0.797	S	S	*	*			trans	-96.9	127	-176.6	179.7	0	0	0	0	108.7	A657	V655-A657 PolarHBondContact O-N 2.69Å
656	P	35.3	Very low	32.6	Very low	113 Å²	113	145 Å²	145	73%	0.734	80%	0.802	S	S	*	*			trans	-72.9	124	172	30	-32.1	0	0	0	109.8	E658	P656-E658 PolarHBondContact O-N 2.78Å
657	A	33	Very low	32.4	Very low	95 Å²	95	145.3 Å²	145.3	79%	0.785	80%	0.798	S	S	*	*			trans	-74.6	115.6	-177.7	0	0	0	0	0	112.5	V655	V655-A657 PolarHBondContact O-N 2.69Å
658	E	33.1	Very low	32.3	Very low	177 Å²	177	143.7 Å²	143.7	83%	0.827	79%	0.788	S	S	*	*			trans	57.9	96.8	146.1	-57.3	-166.6	129.8	0	0	119.8	P656 I660	P656-E658 PolarHBondContact O-N 2.78Å; E658-I660 PolarHBondContact O-N 2.79Å
659	T	28.1	Very low	32.3	Very low	127 Å²	127	137.1 Å²	137.1	78%	0.779	78%	0.78	S	S	*	*			trans	-53	124.4	141.2	-42	0	0	0	0	110.4	I661	T659-I661 PolarHBondContact O-N 3.12Å
660	I	28.8	Very low	32.4	Very low	159 Å²	159	140.7 Å²	140.7	82%	0.815	78%	0.779	S	S	*	*			trans	-75.8	112.4	166.7	-65.5	177.8	0	0	0	108.5	E658	E658-I660 PolarHBondContact O-N 2.79Å
661	I	27.3	Very low	32.4	Very low	127 Å²	127	141 Å²	141	65%	0.651	78%	0.782	S	S	*	*			trans	-85	121	179.5	-57.4	175.2	0	0	0	109.6	T659 K663	T659-I661 PolarHBondContact O-N 3.12Å; I661-K663 HydrophobicContact CG2-CG 3.91Å; I661-K663 PolarHBondContact O-N 3.18Å
662	I	26.3	Very low	32.6	Very low	165 Å²	165	135.9 Å²	135.9	85%	0.846	78%	0.779	S	S	*	*			trans	-81.9	105.7	162.8	-58.5	176.1	0	0	0	107.2
663	K	27.3	Very low	32.6	Very low	180 Å²	180	135 Å²	135	78%	0.783	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-87.7	118	168.6	-74.8	-170.5	174.9	-176.9	0	110.1	I661	I661-K663 HydrophobicContact CG2-CG 3.91Å; I661-K663 PolarHBondContact O-N 3.18Å
664	S	28.9	Very low	33.1	Very low	103 Å²	103	132.7 Å²	132.7	72%	0.72	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-74	156.3	148.8	51.2	0	0	0	0	109.4
665	H	29.9	Very low	33.5	Very low	180 Å²	180	126.4 Å²	126.4	83%	0.833	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-76.7	168.9	162.7	-101.7	-118	0	0	0	110.7
666	T	36.9	Very low	33.7	Very low	113 Å²	113	125.3 Å²	125.3	69%	0.693	80%	0.796	S	S	*	*			trans	71.6	133.8	-170.8	100.6	0	0	0	0	112.7
667	D	33.3	Very low	34	Very low	141 Å²	141	124.2 Å²	124.2	75%	0.754	80%	0.804	S	S	*	*			cis	-138	159.7	13	-90.2	-64.7	0	0	0	116.7
668	V	34.8	Very low	34.4	Very low	120 Å²	120	123.4 Å²	123.4	73%	0.727	81%	0.806	S	S	*	*			trans	-5.2	128.6	156	-177.8	0	0	0	0	119.2
669	S	37.8	Very low	34.8	Very low	113 Å²	113	118.5 Å²	118.5	79%	0.79	80%	0.802	S	S	*	*				-174	134.5	119.1	34	0	0	0	0	116.4
670	N	37	Very low	35.6	Very low	163 Å²	163	120 Å²	120	87%	0.872	81%	0.811	S	S	*	*			trans	-4.8	131.6	164.3	-55.5	-21.1	0	0	0	120.9
671	G	35.8	Very low	36.3	Very low	80 Å²	80	116.1 Å²	116.1	83%	0.825	81%	0.81	S	S	*	*			trans	-162.7	54.9	177	0	0	0	0	0	117.4
672	A	38	Very low	37.1	Very low	102 Å²	102	115 Å²	115	84%	0.843	82%	0.82	S	S	*	*			trans	51.4	116.6	157.1	0	0	0	0	0	123
673	A	38.5	Very low	38	Very low	101 Å²	101	114 Å²	114	84%	0.835	82%	0.817	S	S	*	*				87.4	139.9	129.6	0	0	0	0	0	123.6
674	A	41.3	Very low	38.7	Very low	108 Å²	108	110.8 Å²	110.8	89%	0.893	82%	0.817	S	S	*	*			trans	66.4	129.7	161.4	0	0	0	0	0	119.8
675	G	38.7	Very low	39.3	Very low	82 Å²	82	109.7 Å²	109.7	85%	0.845	82%	0.821	S	S	*	*			trans	178.1	-45.8	169.1	0	0	0	0	0	121.5
676	G	38.5	Very low	39.8	Very low	83 Å²	83	105 Å²	105	86%	0.856	82%	0.822	S	S	*	*			trans	74.4	117.1	169.4	0	0	0	0	0	120.6
677	G	40.2	Very low	39.9	Very low	89 Å²	89	103.7 Å²	103.7	92%	0.918	83%	0.83	S	S	*	*			trans	80.2	147.7	154.7	0	0	0	0	0	118.2
678	G	41.2	Very low	40.1	Very low	79 Å²	79	100.2 Å²	100.2	81%	0.814	83%	0.828	S	S	*	*			cis	171.6	148.2	-8.3	0	0	0	0	0	112.5
679	G	41.4	Very low	40.3	Very low	73 Å²	73	106 Å²	106	75%	0.753	84%	0.839	S	S	*	*			trans	84.7	113	-178.4	0	0	0	0	0	113
680	V	46.4	Very low	40.2	Very low	158 Å²	158	104.3 Å²	104.3	96%	0.958	84%	0.839	S	S	*	*			cis	76.7	109.9	44.6	-173.3	0	0	0	0	113.4
681	G	43.2	Very low	40.3	Very low	78 Å²	78	108 Å²	108	80%	0.804	84%	0.841	S	S	*	*			trans	164.4	124.9	173.8	0	0	0	0	0	109.7
682	A	44.4	Very low	40.1	Very low	103 Å²	103	112.2 Å²	112.2	85%	0.851	84%	0.838	S	S	*	*			trans	-136.9	166	-165.5	0	0	0	0	0	114.4
683	N	43.7	Very low	40	Very low	146 Å²	146	117.8 Å²	117.8	78%	0.781	84%	0.839	S	S	*	*			trans	94.3	108.5	151.6	-140.8	12.4	0	0	0	119.1
684	S	43.6	Very low	39.9	Very low	112 Å²	112	118.4 Å²	118.4	78%	0.783	83%	0.834	S	S	*	*			trans	46.8	134.3	133.6	-55.9	0	0	0	0	122.2
685	G	40.8	Very low	39.6	Very low	79 Å²	79	119.1 Å²	119.1	81%	0.814	83%	0.827	S	S	*	*			trans	-177.1	0.5	167.2	0	0	0	0	0	124.5
686	G	39.4	Very low	39.7	Very low	82 Å²	82	122.9 Å²	122.9	85%	0.845	83%	0.828	S	S	*	*			trans	64	179.9	165.7	0	0	0	0	0	119.3
687	G	39.2	Very low	39.5	Very low	85 Å²	85	127.2 Å²	127.2	88%	0.876	83%	0.826	S	S	*	*			trans	81.5	96.3	167.4	0	0	0	0	0	116.6
688	G	37.9	Very low	39.2	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	84%	0.843	S	S	*	*			trans	-87.7	160.9	176.9	0	0	0	0	0	114.6
689	Y	39.2	Very low	39.1	Very low	242 Å²	242	137.4 Å²	137.4	95%	0.949	84%	0.844	S	S	*	*			trans	-153.7	125.8	149.7	-103.5	-72.3	0	0	0	109.3
690	G	35	Very low	38.9	Very low	76 Å²	76	140.8 Å²	140.8	78%	0.784	85%	0.849	S	S	*	*			trans	-84.4	130.6	179.9	0	0	0	0	0	112.7
691	R	38.9	Very low	38.5	Very low	242 Å²	242	139.8 Å²	139.8	91%	0.913	84%	0.843	S	S	*	*			trans	-139.8	155.3	162.5	-81.3	-168	175.4	-178.7	-0.1	111.4
692	H	31.9	Very low	38.2	Very low	167 Å²	167	143.5 Å²	143.5	77%	0.773	85%	0.845	S	S	*	*			trans	-49.9	156.6	177.4	-61.1	-106.4	0	0	0	114.4
693	Y	36.6	Very low	37.9	Very low	220 Å²	220	146 Å²	146	86%	0.863	85%	0.845	S	S	*	*				-173.1	176.8	114.2	-86.8	-54.4	0	0	0	108.5
694	P	37.2	Very low	37.5	Very low	114 Å²	114	146 Å²	146	74%	0.74	85%	0.849	S	S	*	*				-123	-176.9	-95.4	27.9	-4.5	0	0	0	114.3
695	V	34.1	Very low	37	Very low	123 Å²	123	148.4 Å²	148.4	75%	0.745	85%	0.854	S	S	*	*			trans	-65.7	142.8	171.2	178.2	0	0	0	0	111
696	N	40.2	Very low	36.7	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	86%	0.857	S	S	*	*			trans	-142.2	151.1	153.1	-111	-27.9	0	0	0	110
697	H	34.7	Very low	36.5	Very low	175 Å²	175	159.8 Å²	159.8	81%	0.81	86%	0.858	S	S	*	*			trans	-83.1	143.3	-167.4	-79.3	-96.9	0	0	0	114.5
698	L	33.4	Very low	36.3	Very low	244 Å²	244	166.5 Å²	166.5	100%	1.277	86%	0.857	S	S	*	*			trans	-152.1	0	135.3	-110.8	167.6	0	0	0	109.5

Retrieved 698 of 698 residues in 310.9 ms (Link to these results)

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