A0A1D5QPK9_MACMU Loading...

Reticulocalbin-3

Probable molecular chaperone assisting protein biosynthesis and transport in the endoplasmic reticulum. Required for the proper biosynthesis and transport of pulmonary surfactant-associated protein A/SP-A, pulmonary surfactant-associated protein D/SP-D and the lipid transporter ABCA3. By regulating both the proper expression and the degradation through the endoplasmic reticulum-associated protein degradation pathway of these proteins plays a crucial role in pulmonary surfactant homeostasis. Has an anti-fibrotic activity by negatively regulating the secretion of type I and type III collagens. This calcium-binding protein also transiently associates with immature PCSK6 and regulates its secretion.

AlphaFold DB , UniProt , Accession A0A1D5QPK9, Species MACMU (Macaca mulatta, Rhesus macaque), Gene RCN2, Length 335 aa.

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(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	37.6	Very low	26.8	Very low	245 Å²	245	149.7 Å²	149.7	100%	1.207	85%	0.849	S	S	*	*				0	87.8	0	-79.5	174.9	167.5	0	0	109.2
2	R	23.8	Very low	26.7	Very low	252 Å²	252	151.7 Å²	151.7	95%	0.951	85%	0.854	S	S	*	*			trans	-150.1	108.7	157.1	-78.6	-166.1	177.3	-174.5	-2.5	104.5
3	L	28.9	Very low	26.5	Very low	185 Å²	185	150.8 Å²	150.8	97%	0.969	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-78.6	117.4	172.9	-77.5	152.7	0	0	0	106.2
4	G	25.3	Very low	26.4	Very low	59 Å²	59	151.5 Å²	151.5	61%	0.608	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-82.7	160.6	168.1	0	0	0	0	0	110.6
5	P	25.9	Very low	26.3	Very low	134 Å²	134	150.5 Å²	150.5	87%	0.87	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-66.9	138.6	179.2	30	-31.7	0	0	0	109.5
6	R	25.3	Very low	26.2	Very low	237 Å²	237	149.7 Å²	149.7	89%	0.894	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-80.1	135.9	175	-70.5	172.7	157.7	166.5	-8.8	108.2
7	P	26.3	Very low	26.1	Very low	125 Å²	125	145.9 Å²	145.9	81%	0.812	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68.2	135	168.5	28	-30.5	0	0	0	109.4
8	A	25.2	Very low	26	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-67.4	126.7	172	0	0	0	0	0	108.3
9	A	25.5	Very low	25.9	Very low	101 Å²	101	141.3 Å²	141.3	84%	0.835	84%	0.835	S	S	*	*			trans	-88	108.4	173	0	0	0	0	0	107.3	G11	A9-G11 VanDerWaalsContact C-N 3.3Å; A9-G11 PolarHBondContact O-N 2.76Å; A9-G11 VanDerWaalsContact O-N 3.08Å
10	L	26.5	Very low	25.9	Very low	159 Å²	159	139.7 Å²	139.7	83%	0.832	84%	0.838	S	S	*	*			trans	-74.1	90.9	163.8	-82.8	158	0	0	0	107.2
11	G	24.8	Very low	25.8	Very low	59 Å²	59	136.9 Å²	136.9	61%	0.608	84%	0.837	S	S	*	*			trans	-91.6	113.8	167.4	0	0	0	0	0	108.5	A9 L13	A9-G11 VanDerWaalsContact C-N 3.3Å; A9-G11 PolarHBondContact O-N 2.76Å; A9-G11 VanDerWaalsContact O-N 3.08Å; G11-L13 PolarHBondContact O-N 3.12Å
12	L	25.3	Very low	25.6	Very low	173 Å²	173	130.7 Å²	130.7	91%	0.906	83%	0.825	S	S	*	*			trans	-60.5	101.9	161.7	-126.8	98.2	0	0	0	107.4
13	L	24	Very low	25.6	Very low	141 Å²	141	122.2 Å²	122.2	74%	0.738	82%	0.816	S	S	*	*			trans	-109.1	74.9	-177.4	-137.3	162.8	0	0	0	107.7	G11 L15	G11-L13 PolarHBondContact O-N 3.12Å; L13-L15 HydrophobicContact CD2-CG 4.21Å; L13-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact O-N 3.1Å
14	L	25.8	Very low	25.3	Very low	160 Å²	160	123.4 Å²	123.4	84%	0.838	81%	0.814	S	S	*	*			trans	-67.4	106	164	-104.7	156.7	0	0	0	108.2	C16	L14-C16 PolarHBondContact O-N 3.41Å; L14-C16 VanDerWaalsContact O-N 3.09Å
15	L	24.7	Very low	25.6	Very low	136 Å²	136	125.8 Å²	125.8	71%	0.712	83%	0.828	S	S	*	*			trans	-76.8	87.1	-173.2	-121.4	152.4	0	0	0	110.3	L13 A17	L13-L15 HydrophobicContact CD2-CG 4.21Å; L13-L15 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact O-N 3.1Å; L15-A17 HydrophobicContact CD2-CB 3.79Å; L15-A17 PolarHBondContact O-N 2.96Å
16	C	24.7	Very low	25.5	Very low	138 Å²	138	128 Å²	128	93%	0.932	83%	0.826	S	S	*	*			trans	-80.9	86.7	156.7	-86.5	0	0	0	0	109.4	L14	L14-C16 PolarHBondContact O-N 3.41Å; L14-C16 VanDerWaalsContact O-N 3.09Å
17	A	23.5	Very low	25.5	Very low	85 Å²	85	125.1 Å²	125.1	70%	0.702	82%	0.823	S	S	*	*			trans	-102.2	99.8	165.9	0	0	0	0	0	110.1	L15	L15-A17 HydrophobicContact CD2-CB 3.79Å; L15-A17 PolarHBondContact O-N 2.96Å
18	A	24.8	Very low	25.4	Very low	100 Å²	100	126.2 Å²	126.2	83%	0.826	82%	0.821	S	S	*	*			trans	-129.3	127.8	161.6	0	0	0	0	0	111.5
19	A	24.6	Very low	25.4	Very low	105 Å²	105	129.7 Å²	129.7	87%	0.868	82%	0.822	S	S	*	*			trans	84.3	104.7	163.2	0	0	0	0	0	119.3
20	A	25.4	Very low	25.5	Very low	109 Å²	109	134.2 Å²	134.2	90%	0.901	82%	0.818	S	S	*	*				169.5	124.2	88	0	0	0	0	0	112.2
21	G	23	Very low	25.5	Very low	80 Å²	80	131.9 Å²	131.9	83%	0.825	81%	0.813	S	S	*	*			trans	167.8	93.8	167.6	0	0	0	0	0	113.9
22	A	33.3	Very low	25.8	Very low	115 Å²	115	137.7 Å²	137.7	95%	0.95	83%	0.829	S	S	*	*			trans	-58.6	132.8	178.5	0	0	0	0	0	113.7
23	G	24.8	Very low	26.3	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	82%	0.824	S	S	*	*			trans	169.9	98.6	165.5	0	0	0	0	0	115.5
24	K	23.5	Very low	26.5	Very low	210 Å²	210	135 Å²	135	91%	0.913	83%	0.829	S	S	*	*			trans	57.1	111.1	162.8	-84.9	177.8	171.9	176.5	0	118.2	E26	K24-E26 PolarHBondContact O-N 2.71Å
25	A	30	Very low	27.2	Very low	109 Å²	109	134.1 Å²	134.1	90%	0.901	82%	0.815	S	S	*	*			trans	-57	121.6	163.5	0	0	0	0	0	111.1
26	E	24.4	Very low	27.7	Very low	181 Å²	181	135.4 Å²	135.4	85%	0.846	81%	0.81	S	S	*	*			trans	-115.2	117.7	159.5	-153.9	158.3	-149.6	0	0	104.7	K24 L28	K24-E26 PolarHBondContact O-N 2.71Å; E26-L28 PolarHBondContact O-N 3.15Å
27	E	26.4	Very low	28.4	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	79%	0.788	S	S	*	*			trans	-55.1	107.4	-176.5	-74.6	167.2	144.9	0	0	110.4	H29	E27-H29 VanDerWaalsContact C-N 3.35Å; E27-H29 PolarHBondContact O-N 3.39Å; E27-H29 VanDerWaalsContact O-N 3.12Å
28	L	24.1	Very low	28.9	Very low	148 Å²	148	131.7 Å²	131.7	78%	0.775	78%	0.775	S	S	*	*			trans	-77.3	92.5	162.2	-98.2	116.3	0	0	0	108	E26 Y30	E26-L28 PolarHBondContact O-N 3.15Å; L28-Y30 PolarHBondContact O-N 2.95Å
29	H	25.1	Very low	29.5	Very low	164 Å²	164	134.2 Å²	134.2	76%	0.759	76%	0.764	S	S	*	*			trans	-56.4	115.3	159.2	-97.8	-81.8	0	0	0	108.6	E27 P31	E27-H29 VanDerWaalsContact C-N 3.35Å; E27-H29 PolarHBondContact O-N 3.39Å; E27-H29 VanDerWaalsContact O-N 3.12Å; H29-P31 VanDerWaalsContact O-CD 3.31Å; H29-P31 WeakPolarHBondContact O-CD 3.31Å
30	Y	26.1	Very low	30.6	Very low	196 Å²	196	133 Å²	133	77%	0.769	74%	0.743	S	S	*	*			trans	-82.3	111.7	161.6	-81.1	-92.6	0	0	0	108	L28	L28-Y30 PolarHBondContact O-N 2.95Å
31	P	27	Very low	31.5	Very low	110 Å²	110	131.9 Å²	131.9	71%	0.714	72%	0.715	S	S	*	*			trans	-76.5	123.5	166.6	2.1	17.4	0	0	0	107.4	H29 G33	H29-P31 VanDerWaalsContact O-CD 3.31Å; H29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-G33 PolarHBondContact O-N 3.46Å
32	L	31.5	Very low	32.2	Very low	182 Å²	182	133.2 Å²	133.2	95%	0.953	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	127.2	161.5	-83.8	113.6	0	0	0	109.3
33	G	34.9	Very low	32.7	Very low	78 Å²	78	132 Å²	132	80%	0.804	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.5	21.7	154.9	0	0	0	0	0	119.1	P31	P31-G33 PolarHBondContact O-N 3.46Å
34	E	28.6	Very low	33.5	Very low	178 Å²	178	131.5 Å²	131.5	83%	0.832	67%	0.67	S	S	*	*			trans	-120.8	99	163.6	-85.1	174.7	174	0	0	109.5	R36	E34-R36 PolarHBondContact O-N 3.36Å
35	R	41.2	Very low	34.5	Very low	143 Å²	143	123.6 Å²	123.6	54%	0.54	64%	0.637	S	S	.	*			trans	-60	122.4	167.4	-166.1	-179.5	-125.6	139.3	6	107.5	S37 E284 H288	R35-S37 PolarHBondContact O-N 3.29Å; R35-E284 IonicContact CZ-OE1 2.69Å; R35-E284 IonicContact CZ-OE2 3.37Å; R35-E284 VanDerWaalsContact NH1-CD 3.3Å; R35-E284 IonicContact NH1-OE1 2.67Å; R35-E284 PolarHBondContact NH1-OE1 3.26Å; R35-E284 IonicContact NH1-OE2 2.76Å; R35-E284 IonicContact NH2-OE1 3.02Å; R35-E284 PolarHBondContact NH2-OE1 3.02Å; R35-E284 IonicContact NH2-OE2 3.47Å; R35-E284 PolarHBondContact NH2-OE2 2.69Å; R35-H288 PolarHBondContact NH1-NE2 2.76Å
36	R	35.4	Very low	35	Very low	162 Å²	162	121.6 Å²	121.6	61%	0.611	63%	0.627	S	S	*	*			trans	-89.1	92.7	177.1	-67.9	-174.7	-173.3	-169.4	3.1	108.1	E34 D38 Y39	E34-R36 PolarHBondContact O-N 3.36Å; R36-D38 PolarHBondContact O-N 3.46Å; R36-Y39 HydrophobicContact CB-CD2 4.22Å; R36-Y39 PolarHBondContact O-N 2.97Å
37	S	39.8	Very low	35.6	Very low	69 Å²	69	116.9 Å²	116.9	48%	0.483	61%	0.61	S	S	.	*	H	α-helix	trans	-46.9	-28.6	168.2	53.3	0	0	0	0	112.3	R35 Y39 R41	R35-S37 PolarHBondContact O-N 3.29Å; S37-Y39 VanDerWaalsContact C-N 3.29Å; S37-Y39 PolarHBondContact O-N 3.2Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.14Å; S37-R41 PolarHBondContact O-N 3.35Å
38	D	33.5	Very low	36.2	Very low	77 Å²	77	114.1 Å²	114.1	41%	0.412	60%	0.597	S	S	.	*	H	α-helix	trans	-63.9	-30.1	179.6	-41.9	-24	0	0	0	113.6	R36 E42	R36-D38 PolarHBondContact O-N 3.46Å; D38-E42 PolarHBondContact O-N 3.45Å
39	Y	36.6	Very low	36.9	Very low	153 Å²	153	113.3 Å²	113.3	60%	0.6	59%	0.59	S	S	*	*	H	α-helix	trans	-82.9	-39.1	-179	-104.2	-87.2	0	0	0	112	R36 S37 R41 E42 A43	R36-Y39 HydrophobicContact CB-CD2 4.22Å; R36-Y39 PolarHBondContact O-N 2.97Å; S37-Y39 VanDerWaalsContact C-N 3.29Å; S37-Y39 PolarHBondContact O-N 3.2Å; Y39-R41 VanDerWaalsContact C-N 3.26Å; Y39-R41 PolarHBondContact O-N 2.78Å; Y39-E42 PolarHBondContact O-N 2.8Å; Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 2.9Å; Y39-A43 VanDerWaalsContact O-N 3.09Å
40	D	48.1	Very low	37.6	Very low	80 Å²	80	111.4 Å²	111.4	43%	0.428	59%	0.585	S	S	.	*	H	α-helix	trans	-64.6	-36.4	172.2	-62.4	-39	0	0	0	109.8	L44	D40-L44 VanDerWaalsContact O-CB 3.23Å; D40-L44 WeakPolarHBondContact O-CB 3.04Å; D40-L44 PolarHBondContact O-N 3.47Å; D40-L44 VanDerWaalsContact O-N 3.09Å
41	R	44.6	Very low	38.4	Very low	85 Å²	85	107.1 Å²	107.1	32%	0.321	58%	0.579	S	S	.	*	H	α-helix	trans	-59.2	-46.3	172.1	-172.1	-175.2	72.7	-162.5	-2.8	113.9	S37 Y39 L45	S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.14Å; S37-R41 PolarHBondContact O-N 3.35Å; Y39-R41 VanDerWaalsContact C-N 3.26Å; Y39-R41 PolarHBondContact O-N 2.78Å; R41-L45 HydrophobicContact CG-CD1 4.11Å; R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 PolarHBondContact O-N 2.97Å; R41-L45 VanDerWaalsContact O-N 3.17Å
42	E	36.8	Very low	38.9	Very low	107 Å²	107	110 Å²	110	50%	0.5	59%	0.588	S	S	.	*	H	α-helix	trans	-76.8	-31.8	-176.1	-79.4	172.8	-170.9	0	0	112.9	D38 Y39	D38-E42 PolarHBondContact O-N 3.45Å; Y39-E42 PolarHBondContact O-N 2.8Å
43	A	43.9	Very low	39.5	Very low	91 Å²	91	109.9 Å²	109.9	75%	0.752	58%	0.583	S	S	*	*	H	α-helix	trans	-76.4	-31.9	177.7	0	0	0	0	0	112.9	Y39	Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 2.9Å; Y39-A43 VanDerWaalsContact O-N 3.09Å
44	L	42.9	Very low	40.1	Very low	63 Å²	63	110.5 Å²	110.5	33%	0.33	56%	0.562	S	S	.	*	H	α-helix	trans	-92.5	-27.8	-175.8	-141.6	117.4	0	0	0	113.7	D40 F94 I281	D40-L44 VanDerWaalsContact O-CB 3.23Å; D40-L44 WeakPolarHBondContact O-CB 3.04Å; D40-L44 PolarHBondContact O-N 3.47Å; D40-L44 VanDerWaalsContact O-N 3.09Å; L44-F94 HydrophobicContact CD2-CD1 4.22Å; L44-F94 HydrophobicContact CD2-CD2 4.19Å; L44-F94 HydrophobicContact CD2-CE1 4.22Å; L44-F94 HydrophobicContact CD2-CE2 4.18Å; L44-F94 HydrophobicContact CD2-CG 4.22Å; L44-F94 HydrophobicContact CD2-CZ 4.2Å; L44-I281 HydrophobicContact CD1-CD1 3.86Å
45	L	42.6	Very low	41.2	Very low	44 Å²	44	107.5 Å²	107.5	23%	0.23	56%	0.555	C	S	.	*	H	α-helix	trans	-112	-11.8	-170.7	-66.8	167.2	0	0	0	116	R41 V47	R41-L45 HydrophobicContact CG-CD1 4.11Å; R41-L45 WeakPolarHBondContact O-CB 3.4Å; R41-L45 PolarHBondContact O-N 2.97Å; R41-L45 VanDerWaalsContact O-N 3.17Å; L45-V47 PolarHBondContact O-N 3.15Å
46	G	40.5	Very low	42.1	Very low	66 Å²	66	110.1 Å²	110.1	68%	0.68	57%	0.571	S	S	*	*			trans	53.5	-0.6	170.3	0	0	0	0	0	118.6
47	V	37.7	Very low	43.5	Very low	83 Å²	83	104.1 Å²	104.1	50%	0.503	55%	0.55	S	S	.	*			trans	-148.1	111.9	-168.7	-177.6	0	0	0	0	109.4	L45 E49	L45-V47 PolarHBondContact O-N 3.15Å; V47-E49 HydrophobicContact CG1-CB 4.48Å
48	Q	39.6	Very low	45.2	Very low	118 Å²	118	103.2 Å²	103.2	55%	0.551	55%	0.552	S	S	*	*			trans	-98.9	30.7	177	-162.9	75.7	52.3	0	0	111.7
49	E	38.6	Very low	47.1	Very low	131 Å²	131	106.7 Å²	106.7	61%	0.612	57%	0.566	S	S	*	*			trans	-125.1	123.4	178.7	-63.9	-169.3	164.4	0	0	108.3	V47	V47-E49 HydrophobicContact CG1-CB 4.48Å
50	D	38.7	Very low	49.1	Very low	124 Å²	124	105.8 Å²	105.8	66%	0.663	57%	0.567	S	S	*	*			trans	113	19.3	169.1	-53.1	-19.5	0	0	0	119.4	D52 Y54	D50-D52 VanDerWaalsContact C-N 3.27Å; D50-Y54 WeakPolarHBondContact O-CE2 3.49Å
51	V	44.3	Very low	50.6	Low	105 Å²	105	105.5 Å²	105.5	64%	0.636	56%	0.563	S	S	*	*	S	Bend	trans	-76.5	-15.1	165.6	-167.7	0	0	0	0	112.4
52	D	37.3	Very low	52.1	Low	170 Å²	170	103.3 Å²	103.3	91%	0.909	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	0.6	-167.6	-88.7	-24.5	0	0	0	116.1	D50	D50-D52 VanDerWaalsContact C-N 3.27Å
53	E	43.4	Very low	54.1	Low	180 Å²	180	102.5 Å²	102.5	84%	0.841	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	23.3	-175.1	-136	175.1	-160.3	0	0	116.2	V55	E53-V55 PolarHBondContact O-N 2.74Å
54	Y	48.4	Very low	56	Low	92 Å²	92	103.2 Å²	103.2	36%	0.361	54%	0.539	S	S	.	.			trans	-75.1	113.3	168.6	-69.4	-72.2	0	0	0	111	D50 K56 R323 H326	D50-Y54 WeakPolarHBondContact O-CE2 3.49Å; Y54-K56 PolarHBondContact O-N 3.21Å; Y54-R323 WeakPolarHBondContact OH-CG 3.12Å; Y54-H326 HydrophobicContact CD1-CB 3.89Å; Y54-H326 AromaticContact CD1-CD2 3.28Å; Y54-H326 WeakPolarHBondContact CD1-CD2 3.29Å; Y54-H326 AromaticContact CD1-CG 3.4Å; Y54-H326 AromaticContact CD1-ND1 3.88Å; Y54-H326 AromaticContact CD1-NE2 3.73Å; Y54-H326 HydrophobicContact CE1-CB 3.86Å; Y54-H326 AromaticContact CE1-CD2 3.98Å; Y54-H326 AromaticContact CE1-CG 3.9Å; Y54-H326 AromaticContact CG-CD2 3.86Å; Y54-H326 AromaticContact CG-NE2 3.99Å
55	V	52	Low	58	Low	115 Å²	115	102 Å²	102	70%	0.697	53%	0.53	S	S	*	.			trans	-54.6	111.2	171.8	175.6	0	0	0	0	108.2	E53 L57 H326	E53-V55 PolarHBondContact O-N 2.74Å; V55-L57 PolarHBondContact O-N 2.9Å; V55-H326 PolarHBondContact O-CE1 2.7Å
56	K	58.3	Low	59.9	Low	198 Å²	198	100 Å²	100	86%	0.861	52%	0.519	S	S	*	.			trans	-52.9	101.5	175.5	-72.5	-171.9	176.9	-170.4	0	109.7	Y54	Y54-K56 PolarHBondContact O-N 3.21Å
57	L	66.4	Low	61.9	Low	35 Å²	35	99.5 Å²	99.5	18%	0.183	50%	0.499	C	S	.	.			trans	-58.4	148.6	174.5	-70.6	166.9	0	0	0	108.4	V55 E61 Q62 L325	V55-L57 PolarHBondContact O-N 2.9Å; L57-E61 HydrophobicContact CD2-CG 4.28Å; L57-Q62 HydrophobicContact CB-CG 3.52Å; L57-Q62 PolarHBondContact O-NE2 3.17Å; L57-L325 HydrophobicContact CD1-CB 4.3Å
58	G	74.8	Confident	64.2	Low	51 Å²	51	96.8 Å²	96.8	53%	0.526	49%	0.486	S	S	.	.			trans	-62.3	143.1	174.2	0	0	0	0	0	110.2	E60 E61 Q62	G58-E60 PolarHBondContact O-N 2.81Å; G58-E61 WeakPolarHBondContact O-CA 3.43Å; G58-E61 WeakPolarHBondContact O-CB 3.47Å; G58-E61 PolarHBondContact O-N 3.22Å; G58-Q62 PolarHBondContact O-N 2.73Å
59	H	73.4	Confident	66.4	Low	150 Å²	150	91.2 Å²	91.2	69%	0.694	46%	0.459	S	S	*	.	H	α-helix	trans	-49	-37.3	-178.7	-79.1	-80.8	0	0	0	114	E61 Q63	H59-E61 VanDerWaalsContact C-N 3.34Å; H59-E61 PolarHBondContact O-N 3.07Å; H59-Q63 WeakPolarHBondContact O-CB 3.39Å; H59-Q63 PolarHBondContact O-N 3.3Å
60	E	79.1	Confident	68.6	Low	134 Å²	134	85.5 Å²	85.5	63%	0.626	43%	0.433	S	S	*	.	H	α-helix	trans	-68.6	-32.7	178.7	-158.3	-165.3	145.8	0	0	112.8	G58 K64	G58-E60 PolarHBondContact O-N 2.81Å; E60-K64 WeakPolarHBondContact O-CG 3.32Å; E60-K64 PolarHBondContact O-N 2.81Å; E60-K64 IonicContact OE1-NZ 3.52Å; E60-K64 PolarHBondContact OE1-NZ 2.96Å
61	E	79.6	Confident	70.9	Confident	74 Å²	74	86.6 Å²	86.6	35%	0.346	43%	0.432	S	S	.	.	H	α-helix	trans	-78.5	-40.6	177.4	-175.1	63	-166.6	0	0	110.9	L57 G58 H59 Q63 K64 R65	L57-E61 HydrophobicContact CD2-CG 4.28Å; G58-E61 WeakPolarHBondContact O-CA 3.43Å; G58-E61 WeakPolarHBondContact O-CB 3.47Å; G58-E61 PolarHBondContact O-N 3.22Å; H59-E61 VanDerWaalsContact C-N 3.34Å; H59-E61 PolarHBondContact O-N 3.07Å; E61-Q63 VanDerWaalsContact C-N 3.3Å; E61-Q63 PolarHBondContact O-N 3.25Å; E61-K64 PolarHBondContact O-N 3.43Å; E61-R65 WeakPolarHBondContact O-CG 3.4Å; E61-R65 PolarHBondContact O-N 3.02Å; E61-R65 IonicContact OE1-CZ 3.7Å; E61-R65 IonicContact OE1-NE 3.5Å; E61-R65 PolarHBondContact OE1-NE 3.23Å; E61-R65 IonicContact OE1-NH2 3.1Å; E61-R65 PolarHBondContact OE1-NH2 3.47Å
62	Q	75.8	Confident	72.9	Confident	38 Å²	38	84.6 Å²	84.6	18%	0.178	42%	0.415	C	S	.	.	H	α-helix	trans	-57.1	-45.5	172.4	-69	177.7	-37.5	0	0	111	L57 G58 K64 R65 L66	L57-Q62 HydrophobicContact CB-CG 3.52Å; L57-Q62 PolarHBondContact O-NE2 3.17Å; G58-Q62 PolarHBondContact O-N 2.73Å; Q62-K64 PolarHBondContact O-N 3.35Å; Q62-R65 PolarHBondContact O-N 2.94Å; Q62-L66 WeakPolarHBondContact O-CB 3.15Å; Q62-L66 PolarHBondContact O-N 2.89Å
63	Q	79.3	Confident	75.3	Confident	91 Å²	91	76.6 Å²	76.6	43%	0.425	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-40.8	178.2	-168.8	175.4	0.3	0	0	112.1	H59 E61 L66 Q67 L307	H59-Q63 WeakPolarHBondContact O-CB 3.39Å; H59-Q63 PolarHBondContact O-N 3.3Å; E61-Q63 VanDerWaalsContact C-N 3.3Å; E61-Q63 PolarHBondContact O-N 3.25Å; Q63-L66 PolarHBondContact O-N 3.44Å; Q63-Q67 WeakPolarHBondContact O-CB 3.32Å; Q63-Q67 VanDerWaalsContact O-CG 3.28Å; Q63-Q67 WeakPolarHBondContact O-CG 3.3Å; Q63-Q67 PolarHBondContact O-N 3.09Å; Q63-L307 HydrophobicContact CG-CD2 3.78Å
64	K	84	Confident	77.5	Confident	105 Å²	105	68.9 Å²	68.9	46%	0.457	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-44	176.7	-77.1	171.8	-170.5	160	0	112.5	E60 E61 Q62 Q67 A68	E60-K64 WeakPolarHBondContact O-CG 3.32Å; E60-K64 PolarHBondContact O-N 2.81Å; E60-K64 IonicContact OE1-NZ 3.52Å; E60-K64 PolarHBondContact OE1-NZ 2.96Å; E61-K64 PolarHBondContact O-N 3.43Å; Q62-K64 PolarHBondContact O-N 3.35Å; K64-Q67 PolarHBondContact O-N 2.95Å; K64-A68 PolarHBondContact O-N 2.67Å
65	R	83.3	Confident	79.3	Confident	39 Å²	39	70.8 Å²	70.8	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-69.1	-39.9	178.5	-66.7	-178.7	-169.4	-147.2	-11.6	111.6	E61 Q62 Q67 A68 I69 L325 Y331	E61-R65 WeakPolarHBondContact O-CG 3.4Å; E61-R65 PolarHBondContact O-N 3.02Å; E61-R65 IonicContact OE1-CZ 3.7Å; E61-R65 IonicContact OE1-NE 3.5Å; E61-R65 PolarHBondContact OE1-NE 3.23Å; E61-R65 IonicContact OE1-NH2 3.1Å; E61-R65 PolarHBondContact OE1-NH2 3.47Å; Q62-R65 PolarHBondContact O-N 2.94Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 2.81Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 3.06Å; R65-A68 VanDerWaalsContact O-N 3.11Å; R65-I69 WeakPolarHBondContact O-CG1 3.43Å; R65-I69 PolarHBondContact O-N 2.87Å; R65-L325 HydrophobicContact CB-CD2 3.6Å; R65-L325 WeakPolarHBondContact CD-O 3.38Å; R65-L325 PolarHBondContact NH1-O 3.3Å; R65-Y331 HydrophobicContact CB-CG 4.45Å; R65-Y331 HydrophobicContact CG-CD1 4.37Å; R65-Y331 HydrophobicContact CG-CD2 4.27Å; R65-Y331 HydrophobicContact CG-CG 4.09Å; R65-Y331 PolarHBondContact NH1-OH 3.21Å
66	L	82.5	Confident	81	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-45.4	173.2	179.2	59.6	0	0	0	111.4	Q62 Q63 A68 I69 I70 I306 P310 F313 L314	Q62-L66 WeakPolarHBondContact O-CB 3.15Å; Q62-L66 PolarHBondContact O-N 2.89Å; Q63-L66 PolarHBondContact O-N 3.44Å; L66-A68 VanDerWaalsContact C-N 3.28Å; L66-A68 PolarHBondContact O-N 2.95Å; L66-I69 PolarHBondContact O-N 2.7Å; L66-I70 HydrophobicContact CD1-CD1 4.35Å; L66-I70 HydrophobicContact CD1-CG1 4.4Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.03Å; L66-I70 PolarHBondContact O-N 2.93Å; L66-I306 HydrophobicContact CD1-CG2 4.46Å; L66-I306 HydrophobicContact CD2-CG2 4.2Å; L66-P310 HydrophobicContact CD2-CB 3.94Å; L66-F313 HydrophobicContact CD1-CD1 3.42Å; L66-F313 VanDerWaalsContact CD1-CD1 3.42Å; L66-F313 HydrophobicContact CD1-CE1 3.64Å; L66-F313 HydrophobicContact CD1-CG 4.47Å; L66-L314 HydrophobicContact CD1-CD2 4.14Å
67	Q	84.6	Confident	82.4	Confident	56 Å²	56	65.3 Å²	65.3	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-34.2	174.3	-75.7	-179.2	-25.9	0	0	113.2	Q63 K64 R65 K71 E303	Q63-Q67 WeakPolarHBondContact O-CB 3.32Å; Q63-Q67 VanDerWaalsContact O-CG 3.28Å; Q63-Q67 WeakPolarHBondContact O-CG 3.3Å; Q63-Q67 PolarHBondContact O-N 3.09Å; K64-Q67 PolarHBondContact O-N 2.95Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-Q67 PolarHBondContact O-N 2.81Å; Q67-K71 WeakPolarHBondContact O-CG 3.25Å; Q67-K71 PolarHBondContact O-N 2.79Å; Q67-E303 WeakPolarHBondContact CG-OE1 3.39Å; Q67-E303 PolarHBondContact NE2-OE1 2.87Å
68	A	85.8	Confident	83.4	Confident	26 Å²	26	66.5 Å²	66.5	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-42.1	174.5	0	0	0	0	0	111.2	K64 R65 L66 K71 K72	K64-A68 PolarHBondContact O-N 2.67Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 3.06Å; R65-A68 VanDerWaalsContact O-N 3.11Å; L66-A68 VanDerWaalsContact C-N 3.28Å; L66-A68 PolarHBondContact O-N 2.95Å; A68-K71 PolarHBondContact O-N 3.27Å; A68-K72 PolarHBondContact O-N 3.32Å
69	I	84.5	Confident	84	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-49.9	176.1	-68.8	166.1	0	0	0	110.5	R65 L66 K71 K72 I73 W89 Q324 L325 F330	R65-I69 WeakPolarHBondContact O-CG1 3.43Å; R65-I69 PolarHBondContact O-N 2.87Å; L66-I69 PolarHBondContact O-N 2.7Å; I69-K71 PolarHBondContact O-N 3.15Å; I69-K72 WeakPolarHBondContact O-CA 3.47Å; I69-K72 WeakPolarHBondContact O-CB 3.15Å; I69-K72 PolarHBondContact O-N 3.13Å; I69-I73 HydrophobicContact CG2-CD1 3.77Å; I69-I73 HydrophobicContact CG2-CG1 4.24Å; I69-I73 WeakPolarHBondContact O-CG1 3.26Å; I69-I73 PolarHBondContact O-N 2.96Å; I69-W89 HydrophobicContact CG2-CH2 4.49Å; I69-W89 HydrophobicContact CG2-CZ2 3.75Å; I69-Q324 HydrophobicContact CD1-CB 4.12Å; I69-L325 HydrophobicContact CD1-CD2 4.16Å; I69-F330 HydrophobicContact CG1-CB 4.39Å
70	I	85.9	Confident	84.8	Confident	11 Å²	11	62.5 Å²	62.5	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-52.2	-44.1	177.7	-68.2	166.4	0	0	0	111	L66 K72 I73 D74 L81 E303 I306	L66-I70 HydrophobicContact CD1-CD1 4.35Å; L66-I70 HydrophobicContact CD1-CG1 4.4Å; L66-I70 HydrophobicContact CG-CD1 4.07Å; L66-I70 VanDerWaalsContact O-CG1 3.3Å; L66-I70 WeakPolarHBondContact O-CG1 3.03Å; L66-I70 PolarHBondContact O-N 2.93Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 3.19Å; I70-I73 PolarHBondContact O-N 2.87Å; I70-D74 WeakPolarHBondContact O-CB 3.33Å; I70-D74 PolarHBondContact O-N 2.95Å; I70-L81 HydrophobicContact CG2-CD1 4.28Å; I70-L81 HydrophobicContact CG2-CD2 4.2Å; I70-L81 HydrophobicContact CG2-CG 4.43Å; I70-E303 HydrophobicContact CD1-CG 4.34Å; I70-I306 HydrophobicContact CD1-CB 4.14Å; I70-I306 HydrophobicContact CD1-CD1 3.94Å; I70-I306 HydrophobicContact CD1-CG2 3.73Å; I70-I306 HydrophobicContact CG1-CD1 4.06Å; I70-I306 HydrophobicContact CG1-CG2 4.49Å
71	K	86.6	Confident	85.4	Confident	147 Å²	147	56.1 Å²	56.1	64%	0.639	29%	0.29	S	S	*	.	H	α-helix	trans	-66.5	-25.8	177.3	-72.8	173.3	-177.2	174.7	0	114.5	Q67 A68 I69	Q67-K71 WeakPolarHBondContact O-CG 3.25Å; Q67-K71 PolarHBondContact O-N 2.79Å; A68-K71 PolarHBondContact O-N 3.27Å; I69-K71 PolarHBondContact O-N 3.15Å
72	K	85.4	Confident	86	Confident	64 Å²	64	54 Å²	54	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-81.3	-29	174	-68.4	-160.5	-174.1	-170.7	0	112	A68 I69 I70 W89 Y329 F330 H332	A68-K72 PolarHBondContact O-N 3.32Å; I69-K72 WeakPolarHBondContact O-CA 3.47Å; I69-K72 WeakPolarHBondContact O-CB 3.15Å; I69-K72 PolarHBondContact O-N 3.13Å; I70-K72 VanDerWaalsContact C-N 3.29Å; I70-K72 PolarHBondContact O-N 3.19Å; K72-W89 HydrophobicContact CB-CH2 3.77Å; K72-W89 HydrophobicContact CB-CZ3 3.56Å; K72-W89 HydrophobicContact CD-CH2 4.33Å; K72-Y329 PolarHBondContact NZ-O 3.17Å; K72-F330 WeakPolarHBondContact CD-O 3.05Å; K72-F330 WeakPolarHBondContact CE-O 3.48Å; K72-F330 PolarHBondContact NZ-O 3.12Å; K72-H332 PolarHBondContact NZ-O 2.96Å
73	I	87.9	Confident	86.7	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-70.9	-43.3	174.2	-57.8	168.9	0	0	0	110.2	I69 I70 L75 L81 E85 L86 W89 F313	I69-I73 HydrophobicContact CG2-CD1 3.77Å; I69-I73 HydrophobicContact CG2-CG1 4.24Å; I69-I73 WeakPolarHBondContact O-CG1 3.26Å; I69-I73 PolarHBondContact O-N 2.96Å; I70-I73 PolarHBondContact O-N 2.87Å; I73-L75 PolarHBondContact O-N 3.22Å; I73-L81 HydrophobicContact CB-CD1 4.29Å; I73-L81 HydrophobicContact CB-CD2 3.86Å; I73-L81 HydrophobicContact CD1-CD1 4.12Å; I73-L81 HydrophobicContact CG2-CD1 4.09Å; I73-L81 HydrophobicContact CG2-CD2 3.78Å; I73-L81 HydrophobicContact CG2-CG 4.37Å; I73-E85 HydrophobicContact CG2-CB 4.27Å; I73-L86 HydrophobicContact CD1-CD2 4.41Å; I73-L86 HydrophobicContact CG2-CD2 4.02Å; I73-L86 HydrophobicContact CG2-CG 4.4Å; I73-W89 HydrophobicContact CB-CD2 4.47Å; I73-W89 HydrophobicContact CB-CG 4.45Å; I73-W89 HydrophobicContact CD1-CD2 4.3Å; I73-W89 HydrophobicContact CD1-CG 4.14Å; I73-W89 HydrophobicContact CG1-CB 4.11Å; I73-W89 HydrophobicContact CG1-CD2 3.45Å; I73-W89 VanDerWaalsContact CG1-CD2 3.45Å; I73-W89 HydrophobicContact CG1-CE3 3.87Å; I73-W89 HydrophobicContact CG1-CG 3.54Å; I73-W89 HydrophobicContact CG1-CZ2 4.33Å; I73-W89 HydrophobicContact CG1-CZ3 4.46Å; I73-W89 HydrophobicContact CG2-CB 4.05Å; I73-W89 HydrophobicContact CG2-CG 4.37Å; I73-F313 HydrophobicContact CD1-CE1 4.49Å; I73-F313 HydrophobicContact CD1-CZ 3.9Å
74	D	89.4	Confident	87.2	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.091	30%	0.297	C	S	.	.			trans	-69.7	88.6	178.7	-176.7	3.2	0	0	0	111.3	I70 S77 D78 G79 L81	I70-D74 WeakPolarHBondContact O-CB 3.33Å; I70-D74 PolarHBondContact O-N 2.95Å; D74-S77 VanDerWaalsContact CG-CA 3.43Å; D74-S77 WeakPolarHBondContact OD1-CA 3.43Å; D74-S77 PolarHBondContact OD1-N 2.95Å; D74-S77 VanDerWaalsContact OD2-CA 3.28Å; D74-S77 WeakPolarHBondContact OD2-CA 3.06Å; D74-D78 PolarHBondContact OD1-N 3.49Å; D74-G79 VanDerWaalsContact OD2-CA 3.3Å; D74-G79 WeakPolarHBondContact OD2-CA 3.23Å; D74-G79 PolarHBondContact OD2-N 3.14Å; D74-L81 HydrophobicContact CB-CD2 3.77Å
75	L	86.8	Confident	87.5	Confident	133 Å²	133	50.9 Å²	50.9	70%	0.696	28%	0.278	S	S	*	.	S	Bend	trans	-75.4	-33.1	-173.7	-69.2	177.6	0	0	0	112	I73 E85	I73-L75 PolarHBondContact O-N 3.22Å; L75-E85 HydrophobicContact CB-CG 4.5Å; L75-E85 PolarHBondContact N-OE1 2.72Å
76	D	87.5	Confident	87.8	Confident	101 Å²	101	49 Å²	49	54%	0.54	27%	0.271	S	S	.	.	S	Bend	trans	-91.3	-5.8	179.3	76.9	7.4	0	0	0	113.6	D78 E85	D76-D78 PolarHBondContact O-N 2.84Å; D76-D78 WeakPolarHBondContact OD1-CB 3.48Å; D76-D78 PolarHBondContact OD1-N 3.35Å; D76-E85 PolarHBondContact N-OE1 3.07Å
77	S	88.1	Confident	88	Confident	97 Å²	97	49.1 Å²	49.1	68%	0.678	27%	0.272	S	S	*	.			trans	58	30.4	179.9	-57.5	0	0	0	0	112.6	D74	D74-S77 VanDerWaalsContact CG-CA 3.43Å; D74-S77 WeakPolarHBondContact OD1-CA 3.43Å; D74-S77 PolarHBondContact OD1-N 2.95Å; D74-S77 VanDerWaalsContact OD2-CA 3.28Å; D74-S77 WeakPolarHBondContact OD2-CA 3.06Å
78	D	88.3	Confident	88.1	Confident	60 Å²	60	48.6 Å²	48.6	32%	0.321	27%	0.274	S	S	.	.	S	Bend	trans	-78.3	-9	176.9	86.4	-3.7	0	0	0	112.9	D74 D76 F80 K300	D74-D78 PolarHBondContact OD1-N 3.49Å; D76-D78 PolarHBondContact O-N 2.84Å; D76-D78 WeakPolarHBondContact OD1-CB 3.48Å; D76-D78 PolarHBondContact OD1-N 3.35Å; D78-F80 VanDerWaalsContact O-CD2 3.32Å; D78-F80 WeakPolarHBondContact O-CD2 3.34Å; D78-F80 WeakPolarHBondContact OD1-CA 3.43Å; D78-F80 VanDerWaalsContact OD1-CB 3.32Å; D78-F80 WeakPolarHBondContact OD1-CB 3.08Å; D78-F80 PolarHBondContact OD1-N 3.35Å; D78-F80 VanDerWaalsContact OD1-O 3.07Å; D78-K300 IonicContact OD2-NZ 3.02Å; D78-K300 PolarHBondContact OD2-NZ 2.81Å
79	G	86.4	Confident	88.3	Confident	40 Å²	40	47.9 Å²	47.9	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	85.2	7.3	-179.9	0	0	0	0	0	114	D74	D74-G79 VanDerWaalsContact OD2-CA 3.3Å; D74-G79 WeakPolarHBondContact OD2-CA 3.23Å; D74-G79 PolarHBondContact OD2-N 3.14Å
80	F	90.4	Very high	88.3	Confident	76 Å²	76	48 Å²	48	33%	0.333	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.2	179.4	-58.3	-91	0	0	0	110.6	D78 K300 L301	D78-F80 VanDerWaalsContact O-CD2 3.32Å; D78-F80 WeakPolarHBondContact O-CD2 3.34Å; D78-F80 WeakPolarHBondContact OD1-CA 3.43Å; D78-F80 VanDerWaalsContact OD1-CB 3.32Å; D78-F80 WeakPolarHBondContact OD1-CB 3.08Å; D78-F80 PolarHBondContact OD1-N 3.35Å; D78-F80 VanDerWaalsContact OD1-O 3.07Å; F80-K300 HydrophobicContact CB-CB 4.08Å; F80-K300 HydrophobicContact CB-CD 3.81Å; F80-K300 HydrophobicContact CD1-CB 4.41Å; F80-K300 HydrophobicContact CG-CD 4.23Å; F80-L301 CarbonylContact C-O 3.59Å; F80-L301 WeakPolarHBondContact CA-O 3.29Å
81	L	91.1	Very high	88.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	115.3	174.4	-50.6	-173.6	0	0	0	109.5	I70 I73 D74 L86 K300 L301 I306 F313	I70-L81 HydrophobicContact CG2-CD1 4.28Å; I70-L81 HydrophobicContact CG2-CD2 4.2Å; I70-L81 HydrophobicContact CG2-CG 4.43Å; I73-L81 HydrophobicContact CB-CD1 4.29Å; I73-L81 HydrophobicContact CB-CD2 3.86Å; I73-L81 HydrophobicContact CD1-CD1 4.12Å; I73-L81 HydrophobicContact CG2-CD1 4.09Å; I73-L81 HydrophobicContact CG2-CD2 3.78Å; I73-L81 HydrophobicContact CG2-CG 4.37Å; D74-L81 HydrophobicContact CB-CD2 3.77Å; L81-L86 HydrophobicContact CB-CD1 4.12Å; L81-L86 HydrophobicContact CB-CD2 4.29Å; L81-L86 HydrophobicContact CB-CG 4.01Å; L81-L86 HydrophobicContact CD1-CD2 3.98Å; L81-K300 WeakPolarHBondContact O-CA 3.06Å; L81-L301 HydrophobicContact CB-CB 4.28Å; L81-L301 PolarHBondContact N-O 3.48Å; L81-L301 PolarHBondContact O-N 3.36Å; L81-I306 HydrophobicContact CD1-CD1 3.54Å; L81-I306 HydrophobicContact CG-CD1 4.21Å; L81-F313 HydrophobicContact CD1-CE2 4.35Å; L81-F313 HydrophobicContact CD1-CZ 4.28Å
82	T	91.9	Very high	88	Confident	28 Å²	28	46.5 Å²	46.5	17%	0.172	26%	0.262	C	S	.	.			trans	-88.1	161.7	174.4	65.5	0	0	0	0	112	S84 E85 L86 K300	T82-S84 PolarHBondContact O-N 2.84Å; T82-E85 WeakPolarHBondContact CB-OE2 3.41Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.12Å; T82-E85 PolarHBondContact N-OE2 3.19Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-E85 VanDerWaalsContact O-N 3.09Å; T82-E85 WeakPolarHBondContact OG1-CG 3.44Å; T82-E85 PolarHBondContact OG1-N 3.43Å; T82-E85 PolarHBondContact OG1-OE2 2.89Å; T82-L86 PolarHBondContact O-N 2.88Å; T82-K300 HydrophobicContact CG2-CD 4.02Å; T82-K300 HydrophobicContact CG2-CG 4.18Å
83	E	91.3	Very high	87.8	Confident	76 Å²	76	43.4 Å²	43.4	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-50.9	-42.8	172.9	-177.1	-154	153	0	0	112	E85 S87 A286 L287 I290	E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.38Å; E83-S87 VanDerWaalsContact O-CB 3.23Å; E83-S87 WeakPolarHBondContact O-CB 3.28Å; E83-S87 PolarHBondContact O-N 2.83Å; E83-S87 PolarHBondContact O-OG 3.37Å; E83-A286 HydrophobicContact CG-CB 4.36Å; E83-L287 HydrophobicContact CB-CD2 4.48Å; E83-L287 HydrophobicContact CG-CD2 3.73Å; E83-L287 HydrophobicContact CG-CG 3.88Å; E83-I290 HydrophobicContact CB-CD1 3.83Å
84	S	88.7	Confident	87.4	Confident	80 Å²	80	44.3 Å²	44.3	56%	0.559	25%	0.253	S	S	*	.	H	α-helix	trans	-65.7	-36.8	-178.9	-170.5	0	0	0	0	112.3	T82 S87 S88	T82-S84 PolarHBondContact O-N 2.84Å; S84-S87 WeakPolarHBondContact CA-OG 3.39Å; S84-S87 PolarHBondContact O-OG 3.01Å; S84-S87 VanDerWaalsContact O-OG 3.06Å; S84-S88 WeakPolarHBondContact O-CB 3.3Å; S84-S88 PolarHBondContact O-N 2.75Å; S84-S88 VanDerWaalsContact O-N 3.15Å; S84-S88 PolarHBondContact O-OG 3.03Å
85	E	91.1	Very high	86.9	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-75.5	-45.1	179.7	-72.2	164.7	134.9	0	0	111.4	I73 L75 D76 T82 E83 S88 W89	I73-E85 HydrophobicContact CG2-CB 4.27Å; L75-E85 HydrophobicContact CB-CG 4.5Å; L75-E85 PolarHBondContact N-OE1 2.72Å; D76-E85 PolarHBondContact N-OE1 3.07Å; T82-E85 WeakPolarHBondContact CB-OE2 3.41Å; T82-E85 WeakPolarHBondContact CG2-OE2 3.12Å; T82-E85 PolarHBondContact N-OE2 3.19Å; T82-E85 PolarHBondContact O-N 3.46Å; T82-E85 VanDerWaalsContact O-N 3.09Å; T82-E85 WeakPolarHBondContact OG1-CG 3.44Å; T82-E85 PolarHBondContact OG1-N 3.43Å; T82-E85 PolarHBondContact OG1-OE2 2.89Å; E83-E85 VanDerWaalsContact C-N 3.33Å; E83-E85 PolarHBondContact O-N 3.38Å; E85-S88 PolarHBondContact O-N 3.45Å; E85-W89 WeakPolarHBondContact O-CB 3.25Å; E85-W89 PolarHBondContact O-N 2.97Å
86	L	88.8	Confident	86.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-45.6	175.6	-75.9	166.4	0	0	0	111.7	I73 L81 T82 S88 W89 I90 A286 L289 I290 L301 F313 A318	I73-L86 HydrophobicContact CD1-CD2 4.41Å; I73-L86 HydrophobicContact CG2-CD2 4.02Å; I73-L86 HydrophobicContact CG2-CG 4.4Å; L81-L86 HydrophobicContact CB-CD1 4.12Å; L81-L86 HydrophobicContact CB-CD2 4.29Å; L81-L86 HydrophobicContact CB-CG 4.01Å; L81-L86 HydrophobicContact CD1-CD2 3.98Å; T82-L86 PolarHBondContact O-N 2.88Å; L86-S88 PolarHBondContact O-N 2.72Å; L86-W89 PolarHBondContact O-N 3.12Å; L86-I90 WeakPolarHBondContact O-CB 2.92Å; L86-I90 WeakPolarHBondContact O-CD1 3.31Å; L86-I90 VanDerWaalsContact O-CG1 3.25Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-I90 PolarHBondContact O-N 2.85Å; L86-A286 HydrophobicContact CB-CB 3.66Å; L86-L289 HydrophobicContact CD2-CD2 4.25Å; L86-I290 HydrophobicContact CD1-CD1 4.07Å; L86-I290 HydrophobicContact CD1-CG1 3.88Å; L86-L301 HydrophobicContact CD1-CD1 4.07Å; L86-F313 HydrophobicContact CD2-CE2 4.34Å; L86-A318 HydrophobicContact CD2-CB 4.39Å
87	S	87.2	Confident	86.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.014	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-41	178.2	60.7	0	0	0	0	112.2	E83 S84 W89 Q91 A282	E83-S87 VanDerWaalsContact O-CB 3.23Å; E83-S87 WeakPolarHBondContact O-CB 3.28Å; E83-S87 PolarHBondContact O-N 2.83Å; E83-S87 PolarHBondContact O-OG 3.37Å; S84-S87 WeakPolarHBondContact CA-OG 3.39Å; S84-S87 PolarHBondContact O-OG 3.01Å; S84-S87 VanDerWaalsContact O-OG 3.06Å; S87-W89 VanDerWaalsContact C-N 3.32Å; S87-W89 PolarHBondContact O-N 3.12Å; S87-Q91 WeakPolarHBondContact O-CB 3.32Å; S87-Q91 PolarHBondContact O-N 3.39Å; S87-A282 VanDerWaalsContact O-CB 3.32Å; S87-A282 WeakPolarHBondContact O-CB 3.39Å
88	S	87.1	Confident	85.7	Confident	45 Å²	45	33.4 Å²	33.4	32%	0.315	19%	0.185	S	C	.	.	H	α-helix	trans	-65.1	-39	175.9	-58.2	0	0	0	0	111.5	S84 E85 L86 M92	S84-S88 WeakPolarHBondContact O-CB 3.3Å; S84-S88 PolarHBondContact O-N 2.75Å; S84-S88 VanDerWaalsContact O-N 3.15Å; S84-S88 PolarHBondContact O-OG 3.03Å; E85-S88 PolarHBondContact O-N 3.45Å; L86-S88 PolarHBondContact O-N 2.72Å; S88-M92 WeakPolarHBondContact O-CB 3.39Å; S88-M92 PolarHBondContact O-N 2.99Å
89	W	88.9	Confident	85.3	Confident	12 Å²	12	34 Å²	34	5%	0.045	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-49.5	176.3	176.2	-99.1	0	0	0	112.6	I69 K72 I73 E85 L86 S87 Q91 M92 S93 A318 Q324 F330	I69-W89 HydrophobicContact CG2-CH2 4.49Å; I69-W89 HydrophobicContact CG2-CZ2 3.75Å; K72-W89 HydrophobicContact CB-CH2 3.77Å; K72-W89 HydrophobicContact CB-CZ3 3.56Å; K72-W89 HydrophobicContact CD-CH2 4.33Å; I73-W89 HydrophobicContact CB-CD2 4.47Å; I73-W89 HydrophobicContact CB-CG 4.45Å; I73-W89 HydrophobicContact CD1-CD2 4.3Å; I73-W89 HydrophobicContact CD1-CG 4.14Å; I73-W89 HydrophobicContact CG1-CB 4.11Å; I73-W89 HydrophobicContact CG1-CD2 3.45Å; I73-W89 VanDerWaalsContact CG1-CD2 3.45Å; I73-W89 HydrophobicContact CG1-CE3 3.87Å; I73-W89 HydrophobicContact CG1-CG 3.54Å; I73-W89 HydrophobicContact CG1-CZ2 4.33Å; I73-W89 HydrophobicContact CG1-CZ3 4.46Å; I73-W89 HydrophobicContact CG2-CB 4.05Å; I73-W89 HydrophobicContact CG2-CG 4.37Å; E85-W89 WeakPolarHBondContact O-CB 3.25Å; E85-W89 PolarHBondContact O-N 2.97Å; L86-W89 PolarHBondContact O-N 3.12Å; S87-W89 VanDerWaalsContact C-N 3.32Å; S87-W89 PolarHBondContact O-N 3.12Å; W89-Q91 VanDerWaalsContact C-N 3.31Å; W89-Q91 PolarHBondContact O-N 2.99Å; W89-M92 HydrophobicContact CD2-CE 4.19Å; W89-M92 HydrophobicContact CE3-CE 3.32Å; W89-M92 HydrophobicContact CH2-CE 4.26Å; W89-M92 HydrophobicContact CZ3-CE 3.36Å; W89-M92 PolarHBondContact O-N 3.16Å; W89-M92 VanDerWaalsContact O-N 3.16Å; W89-S93 PolarHBondContact O-N 3.37Å; W89-A318 VanDerWaalsContact CD1-O 3.27Å; W89-A318 PolarHBondContact NE1-O 2.84Å; W89-Q324 VanDerWaalsContact NE1-OE1 3.12Å; W89-F330 AromaticContact CH2-CD1 3.54Å; W89-F330 HydrophobicContact CH2-CD1 3.54Å; W89-F330 HydrophobicContact CH2-CE1 4.24Å; W89-F330 AromaticContact CZ2-CD1 3.6Å; W89-F330 HydrophobicContact CZ2-CD1 3.6Å; W89-F330 HydrophobicContact CZ2-CE1 4.16Å; W89-F330 HydrophobicContact CZ2-CG 4.44Å
90	I	84.9	Confident	85	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-56.7	-49	178.1	-70.2	161.3	0	0	0	109.5	L86 M92 S93 F94 A282 E285 A286 A318	L86-I90 WeakPolarHBondContact O-CB 2.92Å; L86-I90 WeakPolarHBondContact O-CD1 3.31Å; L86-I90 VanDerWaalsContact O-CG1 3.25Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-I90 PolarHBondContact O-N 2.85Å; I90-M92 PolarHBondContact O-N 2.96Å; I90-S93 WeakPolarHBondContact O-CB 3.19Å; I90-S93 PolarHBondContact O-N 2.9Å; I90-S93 VanDerWaalsContact O-N 3.11Å; I90-S93 PolarHBondContact O-OG 3.41Å; I90-F94 HydrophobicContact CG2-CD2 4.25Å; I90-F94 HydrophobicContact CG2-CE1 4.29Å; I90-F94 HydrophobicContact CG2-CE2 3.59Å; I90-F94 HydrophobicContact CG2-CZ 3.61Å; I90-F94 PolarHBondContact O-N 3.39Å; I90-A282 HydrophobicContact CB-CB 3.93Å; I90-A282 HydrophobicContact CG2-CB 3.73Å; I90-E285 HydrophobicContact CD1-CB 4.16Å; I90-A286 HydrophobicContact CD1-CB 4.27Å; I90-A318 HydrophobicContact CD1-CB 4.4Å; I90-A318 HydrophobicContact CG1-CB 4.22Å
91	Q	83	Confident	84.4	Confident	49 Å²	49	33.5 Å²	33.5	23%	0.229	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-45.8	177.1	-173.9	-171.2	44.4	0	0	112.2	S87 W89 S93 F94 K95 A282	S87-Q91 WeakPolarHBondContact O-CB 3.32Å; S87-Q91 PolarHBondContact O-N 3.39Å; W89-Q91 VanDerWaalsContact C-N 3.31Å; W89-Q91 PolarHBondContact O-N 2.99Å; Q91-S93 VanDerWaalsContact C-N 3.26Å; Q91-S93 PolarHBondContact O-N 3.46Å; Q91-F94 PolarHBondContact O-N 2.93Å; Q91-K95 WeakPolarHBondContact O-CG 3.35Å; Q91-K95 PolarHBondContact O-N 2.91Å; Q91-A282 HydrophobicContact CB-CB 4.17Å
92	M	83.4	Confident	83.9	Confident	78 Å²	78	33.4 Å²	33.4	38%	0.384	17%	0.174	S	C	.	.	H	α-helix	trans	-61.9	-37	177.5	-176.2	-178.4	69.7	0	0	111.7	S88 W89 I90 K95 H96	S88-M92 WeakPolarHBondContact O-CB 3.39Å; S88-M92 PolarHBondContact O-N 2.99Å; W89-M92 HydrophobicContact CD2-CE 4.19Å; W89-M92 HydrophobicContact CE3-CE 3.32Å; W89-M92 HydrophobicContact CH2-CE 4.26Å; W89-M92 HydrophobicContact CZ3-CE 3.36Å; W89-M92 PolarHBondContact O-N 3.16Å; W89-M92 VanDerWaalsContact O-N 3.16Å; I90-M92 PolarHBondContact O-N 2.96Å; M92-K95 PolarHBondContact O-N 3.39Å; M92-H96 WeakPolarHBondContact O-CB 3.5Å; M92-H96 PolarHBondContact O-N 3.28Å
93	S	82.3	Confident	83.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-42	178.4	78.9	0	0	0	0	112.2	W89 I90 Q91 K95 H96 Y97 Q324	W89-S93 PolarHBondContact O-N 3.37Å; I90-S93 WeakPolarHBondContact O-CB 3.19Å; I90-S93 PolarHBondContact O-N 2.9Å; I90-S93 VanDerWaalsContact O-N 3.11Å; I90-S93 PolarHBondContact O-OG 3.41Å; Q91-S93 VanDerWaalsContact C-N 3.26Å; Q91-S93 PolarHBondContact O-N 3.46Å; S93-K95 PolarHBondContact O-N 2.98Å; S93-H96 WeakPolarHBondContact O-CB 3.35Å; S93-H96 PolarHBondContact O-N 3.01Å; S93-Y97 WeakPolarHBondContact O-CD2 3.45Å; S93-Y97 PolarHBondContact O-N 2.86Å; S93-Q324 PolarHBondContact OG-NE2 3.16Å
94	F	78.3	Confident	83.1	Confident	20 Å²	20	38.4 Å²	38.4	9%	0.088	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-47.8	174.1	-65.2	-27.3	0	0	0	111.7	L44 I90 Q91 H96 Y97 A98 E317	L44-F94 HydrophobicContact CD2-CD1 4.22Å; L44-F94 HydrophobicContact CD2-CD2 4.19Å; L44-F94 HydrophobicContact CD2-CE1 4.22Å; L44-F94 HydrophobicContact CD2-CE2 4.18Å; L44-F94 HydrophobicContact CD2-CG 4.22Å; L44-F94 HydrophobicContact CD2-CZ 4.2Å; I90-F94 HydrophobicContact CG2-CD2 4.25Å; I90-F94 HydrophobicContact CG2-CE1 4.29Å; I90-F94 HydrophobicContact CG2-CE2 3.59Å; I90-F94 HydrophobicContact CG2-CZ 3.61Å; I90-F94 PolarHBondContact O-N 3.39Å; Q91-F94 PolarHBondContact O-N 2.93Å; F94-H96 VanDerWaalsContact C-N 3.31Å; F94-H96 PolarHBondContact O-N 3.39Å; F94-Y97 PolarHBondContact O-N 3.26Å; F94-A98 WeakPolarHBondContact O-CB 3.29Å; F94-A98 PolarHBondContact O-N 3.01Å; F94-E317 WeakPolarHBondContact CZ-OE2 3.47Å
95	K	79.1	Confident	82.7	Confident	70 Å²	70	38 Å²	38	30%	0.304	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-43.8	175.9	-64.9	-173.2	179.4	-107.6	0	111.7	Q91 M92 S93 M99 E200	Q91-K95 WeakPolarHBondContact O-CG 3.35Å; Q91-K95 PolarHBondContact O-N 2.91Å; M92-K95 PolarHBondContact O-N 3.39Å; S93-K95 PolarHBondContact O-N 2.98Å; K95-M99 WeakPolarHBondContact O-CB 3.29Å; K95-M99 WeakPolarHBondContact O-CG 3.28Å; K95-M99 PolarHBondContact O-N 2.9Å; K95-E200 WeakPolarHBondContact CD-OE2 3.45Å; K95-E200 VanDerWaalsContact CE-OE2 3.28Å; K95-E200 WeakPolarHBondContact CE-OE2 3.48Å; K95-E200 VanDerWaalsContact CG-OE2 3.3Å; K95-E200 WeakPolarHBondContact CG-OE2 3.27Å; K95-E200 IonicContact NZ-OE2 3.08Å; K95-E200 PolarHBondContact NZ-OE2 3.3Å
96	H	82.3	Confident	82.4	Confident	16 Å²	16	38 Å²	38	7%	0.074	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-46.9	179	-179.4	-94.2	0	0	0	111.5	M92 S93 F94 M99 Q100 D327 Y329 F330	M92-H96 WeakPolarHBondContact O-CB 3.5Å; M92-H96 PolarHBondContact O-N 3.28Å; S93-H96 WeakPolarHBondContact O-CB 3.35Å; S93-H96 PolarHBondContact O-N 3.01Å; F94-H96 VanDerWaalsContact C-N 3.31Å; F94-H96 PolarHBondContact O-N 3.39Å; H96-M99 PolarHBondContact O-N 3.37Å; H96-Q100 WeakPolarHBondContact CE1-CG 3.47Å; H96-Q100 PolarHBondContact NE2-NE2 3.48Å; H96-Q100 VanDerWaalsContact O-CG 3.29Å; H96-Q100 WeakPolarHBondContact O-CG 3.33Å; H96-Q100 PolarHBondContact O-N 3.12Å; H96-D327 IonicContact CE1-OD2 3.83Å; H96-D327 PolarHBondContact CE1-OD2 3.03Å; H96-D327 IonicContact ND1-OD2 2.65Å; H96-Y329 AromaticContact CD2-CD1 3.59Å; H96-Y329 AromaticContact CD2-CE1 3.58Å; H96-Y329 AromaticContact CE1-CD1 3.87Å; H96-Y329 AromaticContact NE2-CD1 3.41Å; H96-Y329 WeakPolarHBondContact NE2-CD1 3.43Å; H96-Y329 AromaticContact NE2-CD2 3.99Å; H96-Y329 AromaticContact NE2-CE1 3.88Å; H96-Y329 AromaticContact NE2-CG 3.48Å; H96-F330 HydrophobicContact CB-CZ 3.92Å; H96-F330 AromaticContact CE1-CE2 3.75Å; H96-F330 AromaticContact CE1-CZ 4Å; H96-F330 AromaticContact CG-CZ 3.63Å; H96-F330 AromaticContact ND1-CE2 3.4Å; H96-F330 WeakPolarHBondContact ND1-CE2 3.47Å; H96-F330 AromaticContact ND1-CZ 3.32Å; H96-F330 VanDerWaalsContact ND1-CZ 3.32Å; H96-F330 WeakPolarHBondContact ND1-CZ 3.08Å
97	Y	78.9	Confident	82.1	Confident	17 Å²	17	43.2 Å²	43.2	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-44.4	-179.8	-73.7	-59.2	0	0	0	112.9	S93 F94 M99 Q100 E101 D320 R323 Q324 F330	S93-Y97 WeakPolarHBondContact O-CD2 3.45Å; S93-Y97 PolarHBondContact O-N 2.86Å; F94-Y97 PolarHBondContact O-N 3.26Å; Y97-M99 VanDerWaalsContact C-N 3.27Å; Y97-M99 PolarHBondContact O-N 3.47Å; Y97-Q100 PolarHBondContact O-N 3.48Å; Y97-Q100 VanDerWaalsContact O-N 3.08Å; Y97-E101 WeakPolarHBondContact O-CG 3.47Å; Y97-E101 PolarHBondContact O-N 3.34Å; Y97-D320 HydrophobicContact CD2-CB 4.32Å; Y97-D320 HydrophobicContact CE2-CB 3.63Å; Y97-D320 WeakPolarHBondContact CE2-OD2 3.43Å; Y97-R323 HydrophobicContact CE1-CG 3.84Å; Y97-Q324 HydrophobicContact CE2-CG 3.98Å; Y97-Q324 WeakPolarHBondContact OH-CA 3.48Å; Y97-Q324 WeakPolarHBondContact OH-CG 3.2Å; Y97-Q324 PolarHBondContact OH-N 2.8Å; Y97-Q324 VanDerWaalsContact OH-N 3.12Å; Y97-F330 HydrophobicContact CE1-CE2 4.31Å; Y97-F330 HydrophobicContact CE2-CE2 4.3Å; Y97-F330 HydrophobicContact CE2-CZ 4.38Å; Y97-F330 AromaticContact CZ-CE2 3.84Å
98	A	76.1	Confident	81.8	Confident	17 Å²	17	48.9 Å²	48.9	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-55.1	-45.1	172.9	0	0	0	0	0	111.3	F94 Q100 E101 A102	F94-A98 WeakPolarHBondContact O-CB 3.29Å; F94-A98 PolarHBondContact O-N 3.01Å; A98-Q100 PolarHBondContact O-N 2.87Å; A98-E101 PolarHBondContact O-N 2.97Å; A98-A102 WeakPolarHBondContact O-CB 3.24Å; A98-A102 PolarHBondContact O-N 3.34Å
99	M	80.5	Confident	81.4	Confident	72 Å²	72	47.4 Å²	47.4	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-66	-36.6	176.1	-70.7	178.9	-174.8	0	0	113.5	K95 H96 Y97 K103 I193	K95-M99 WeakPolarHBondContact O-CB 3.29Å; K95-M99 WeakPolarHBondContact O-CG 3.28Å; K95-M99 PolarHBondContact O-N 2.9Å; H96-M99 PolarHBondContact O-N 3.37Å; Y97-M99 VanDerWaalsContact C-N 3.27Å; Y97-M99 PolarHBondContact O-N 3.47Å; M99-K103 WeakPolarHBondContact O-CB 3.3Å; M99-K103 WeakPolarHBondContact O-CD 3.31Å; M99-K103 WeakPolarHBondContact O-CG 3.41Å; M99-K103 PolarHBondContact O-N 2.95Å; M99-I193 HydrophobicContact CG-CD1 4.44Å; M99-I193 HydrophobicContact CG-CG2 4.22Å
100	Q	80.1	Confident	81.3	Confident	54 Å²	54	47.7 Å²	47.7	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-70.8	-41	178.2	-73	-62.4	-21.3	0	0	111.8	H96 Y97 A98 K103 Q104	H96-Q100 WeakPolarHBondContact CE1-CG 3.47Å; H96-Q100 PolarHBondContact NE2-NE2 3.48Å; H96-Q100 VanDerWaalsContact O-CG 3.29Å; H96-Q100 WeakPolarHBondContact O-CG 3.33Å; H96-Q100 PolarHBondContact O-N 3.12Å; Y97-Q100 PolarHBondContact O-N 3.48Å; Y97-Q100 VanDerWaalsContact O-N 3.08Å; A98-Q100 PolarHBondContact O-N 2.87Å; Q100-K103 WeakPolarHBondContact O-CB 3.25Å; Q100-K103 PolarHBondContact O-N 2.98Å; Q100-Q104 WeakPolarHBondContact O-CG 3.38Å; Q100-Q104 PolarHBondContact O-N 3.21Å
101	E	78.1	Confident	81	Confident	51 Å²	51	53.1 Å²	53.1	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-48.1	175.2	-72.2	-175.9	157.8	0	0	110.4	Y97 A98 K103 Q104 Q105 R323	Y97-E101 WeakPolarHBondContact O-CG 3.47Å; Y97-E101 PolarHBondContact O-N 3.34Å; A98-E101 PolarHBondContact O-N 2.97Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 3.19Å; E101-Q104 PolarHBondContact O-N 3.36Å; E101-Q104 VanDerWaalsContact O-N 3.1Å; E101-Q105 WeakPolarHBondContact O-CB 3.32Å; E101-Q105 WeakPolarHBondContact O-CG 3.47Å; E101-Q105 PolarHBondContact O-N 2.99Å; E101-R323 IonicContact OE1-NH1 3.53Å
102	A	80.8	Confident	81	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-38.6	174.9	0	0	0	0	0	112.6	A98 F106 I193 E196	A98-A102 WeakPolarHBondContact O-CB 3.24Å; A98-A102 PolarHBondContact O-N 3.34Å; A102-F106 VanDerWaalsContact O-CB 3.29Å; A102-F106 WeakPolarHBondContact O-CB 3.13Å; A102-F106 PolarHBondContact O-N 3.26Å; A102-I193 HydrophobicContact CB-CG1 3.77Å; A102-E196 VanDerWaalsContact CA-OE2 3.29Å; A102-E196 WeakPolarHBondContact CA-OE2 3.37Å; A102-E196 VanDerWaalsContact CB-OE2 3.31Å; A102-E196 WeakPolarHBondContact CB-OE2 3.5Å
103	K	82.7	Confident	81.1	Confident	78 Å²	78	53.9 Å²	53.9	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-42.1	173.7	-80.1	169	-173.5	175.9	0	113.2	M99 Q100 E101 F106 V107 L189	M99-K103 WeakPolarHBondContact O-CB 3.3Å; M99-K103 WeakPolarHBondContact O-CD 3.31Å; M99-K103 WeakPolarHBondContact O-CG 3.41Å; M99-K103 PolarHBondContact O-N 2.95Å; Q100-K103 WeakPolarHBondContact O-CB 3.25Å; Q100-K103 PolarHBondContact O-N 2.98Å; E101-K103 VanDerWaalsContact C-N 3.28Å; E101-K103 PolarHBondContact O-N 3.19Å; K103-F106 WeakPolarHBondContact O-CB 3.45Å; K103-F106 PolarHBondContact O-N 3.27Å; K103-V107 PolarHBondContact O-N 2.87Å; K103-L189 HydrophobicContact CB-CD1 4.41Å; K103-L189 HydrophobicContact CG-CD1 3.73Å; K103-L189 HydrophobicContact CG-CD2 3.93Å; K103-L189 HydrophobicContact CG-CG 4.28Å
104	Q	82.7	Confident	81.2	Confident	131 Å²	131	57.6 Å²	57.6	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-66.2	-44.9	178.3	-72	175.7	16.3	0	0	110.4	Q100 E101 F106 V107	Q100-Q104 WeakPolarHBondContact O-CG 3.38Å; Q100-Q104 PolarHBondContact O-N 3.21Å; E101-Q104 PolarHBondContact O-N 3.36Å; E101-Q104 VanDerWaalsContact O-N 3.1Å; Q104-F106 VanDerWaalsContact C-N 3.34Å; Q104-F106 PolarHBondContact O-N 2.88Å; Q104-V107 PolarHBondContact O-N 3.19Å
105	Q	80.1	Confident	81.6	Confident	71 Å²	71	62.7 Å²	62.7	33%	0.332	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-44.8	174.4	-74.5	-167.2	47.8	0	0	111.4	E101 V107 E108 Y109 F192 E196	E101-Q105 WeakPolarHBondContact O-CB 3.32Å; E101-Q105 WeakPolarHBondContact O-CG 3.47Å; E101-Q105 PolarHBondContact O-N 2.99Å; Q105-V107 PolarHBondContact O-N 3.38Å; Q105-V107 VanDerWaalsContact O-N 3.15Å; Q105-E108 WeakPolarHBondContact O-CA 3.25Å; Q105-E108 WeakPolarHBondContact O-CB 3.48Å; Q105-E108 PolarHBondContact O-N 2.76Å; Q105-Y109 HydrophobicContact CB-CD2 4.16Å; Q105-Y109 HydrophobicContact CB-CE2 3.93Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.34Å; Q105-Y109 PolarHBondContact O-N 2.86Å; Q105-F192 HydrophobicContact CB-CE1 4.4Å; Q105-E196 PolarHBondContact OE1-OE1 3.2Å; Q105-E196 VanDerWaalsContact OE1-OE1 3.08Å
106	F	84.2	Confident	82	Confident	13 Å²	13	61 Å²	61	6%	0.057	32%	0.319	C	S	.	.	H	α-helix	trans	-50.1	-42.8	177.8	-174	-88.6	0	0	0	112.6	A102 K103 Q104 E108 Y109 D110 D115 V117 L189 F192	A102-F106 VanDerWaalsContact O-CB 3.29Å; A102-F106 WeakPolarHBondContact O-CB 3.13Å; A102-F106 PolarHBondContact O-N 3.26Å; K103-F106 WeakPolarHBondContact O-CB 3.45Å; K103-F106 PolarHBondContact O-N 3.27Å; Q104-F106 VanDerWaalsContact C-N 3.34Å; Q104-F106 PolarHBondContact O-N 2.88Å; F106-E108 VanDerWaalsContact C-N 3.28Å; F106-E108 PolarHBondContact O-N 2.69Å; F106-Y109 PolarHBondContact O-N 3.05Å; F106-D110 HydrophobicContact CE1-CB 4.35Å; F106-D110 WeakPolarHBondContact O-CB 3.33Å; F106-D110 PolarHBondContact O-N 3.12Å; F106-D115 WeakPolarHBondContact CZ-O 3.47Å; F106-V117 HydrophobicContact CD2-CG2 3.68Å; F106-V117 HydrophobicContact CE2-CB 4.32Å; F106-V117 HydrophobicContact CE2-CG2 3.56Å; F106-V117 HydrophobicContact CG-CG2 4.28Å; F106-V117 HydrophobicContact CZ-CG2 4.05Å; F106-L189 HydrophobicContact CB-CD1 3.8Å; F106-L189 HydrophobicContact CD1-CD1 4.17Å; F106-L189 HydrophobicContact CD2-CB 4.4Å; F106-L189 HydrophobicContact CD2-CD1 3.82Å; F106-L189 HydrophobicContact CE2-CB 4.17Å; F106-L189 HydrophobicContact CE2-CD1 4.42Å; F106-L189 HydrophobicContact CG-CD1 3.66Å; F106-L189 HydrophobicContact CZ-CB 4.27Å; F106-F192 HydrophobicContact CB-CD1 4.08Å; F106-F192 HydrophobicContact CB-CE1 4.22Å; F106-F192 HydrophobicContact CD2-CB 3.7Å; F106-F192 AromaticContact CD2-CD1 3.74Å; F106-F192 HydrophobicContact CD2-CD1 3.74Å; F106-F192 HydrophobicContact CD2-CD2 4.3Å; F106-F192 HydrophobicContact CD2-CE1 4.45Å; F106-F192 AromaticContact CD2-CG 3.64Å; F106-F192 HydrophobicContact CD2-CG 3.64Å; F106-F192 HydrophobicContact CE2-CB 3.97Å; F106-F192 HydrophobicContact CE2-CG 4.29Å; F106-F192 HydrophobicContact CG-CD1 4.43Å
107	V	83.4	Confident	82.3	Confident	110 Å²	110	60.2 Å²	60.2	67%	0.667	32%	0.315	S	S	*	.	H	α-helix	trans	-66.5	-29.1	177.7	179.1	0	0	0	0	112.5	K103 Q104 Q105	K103-V107 PolarHBondContact O-N 2.87Å; Q104-V107 PolarHBondContact O-N 3.19Å; Q105-V107 PolarHBondContact O-N 3.38Å; Q105-V107 VanDerWaalsContact O-N 3.15Å
108	E	80.4	Confident	82.8	Confident	122 Å²	122	60.8 Å²	60.8	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-77.3	-33.5	174.4	-58.1	-165.9	168.4	0	0	112.8	Q105 F106	Q105-E108 WeakPolarHBondContact O-CA 3.25Å; Q105-E108 WeakPolarHBondContact O-CB 3.48Å; Q105-E108 PolarHBondContact O-N 2.76Å; F106-E108 VanDerWaalsContact C-N 3.28Å; F106-E108 PolarHBondContact O-N 2.69Å
109	Y	80	Confident	83.2	Confident	14 Å²	14	61.6 Å²	61.6	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-75.6	-42.3	177.4	-73.8	-77.7	0	0	0	112.3	Q105 F106 K111 Y122 Q125 M126 F192	Q105-Y109 HydrophobicContact CB-CD2 4.16Å; Q105-Y109 HydrophobicContact CB-CE2 3.93Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.34Å; Q105-Y109 PolarHBondContact O-N 2.86Å; F106-Y109 PolarHBondContact O-N 3.05Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 3.43Å; Y109-Y122 AromaticContact CD1-CD2 3.99Å; Y109-Y122 HydrophobicContact CD1-CD2 3.99Å; Y109-Y122 AromaticContact CE1-CD2 3.74Å; Y109-Y122 HydrophobicContact CE1-CD2 3.74Å; Y109-Y122 HydrophobicContact CE1-CE2 4.09Å; Y109-Q125 HydrophobicContact CD1-CB 3.39Å; Y109-Q125 HydrophobicContact CD1-CG 3.48Å; Y109-Q125 VanDerWaalsContact CD1-CG 3.48Å; Y109-Q125 HydrophobicContact CE1-CB 3.4Å; Y109-Q125 HydrophobicContact CE1-CG 3.28Å; Y109-Q125 HydrophobicContact CG-CB 4.43Å; Y109-Q125 HydrophobicContact CG-CG 4.22Å; Y109-M126 HydrophobicContact CE1-CE 4.43Å; Y109-M126 HydrophobicContact CE1-CG 4.17Å; Y109-M126 WeakPolarHBondContact OH-CE 3.31Å; Y109-M126 PolarHBondContact OH-SD 3.33Å; Y109-F192 HydrophobicContact CD2-CE1 4.3Å; Y109-F192 HydrophobicContact CD2-CE2 4.15Å; Y109-F192 AromaticContact CD2-CZ 3.47Å; Y109-F192 HydrophobicContact CD2-CZ 3.47Å; Y109-F192 VanDerWaalsContact CD2-CZ 3.47Å; Y109-F192 AromaticContact CE2-CZ 3.84Å; Y109-F192 HydrophobicContact CE2-CZ 3.84Å; Y109-F192 HydrophobicContact CG-CE2 4.37Å; Y109-F192 HydrophobicContact CG-CZ 4.12Å
110	D	85.5	Confident	83.3	Confident	17 Å²	17	62.3 Å²	62.3	9%	0.091	33%	0.325	C	S	.	.			trans	-75.4	82.2	176	-179	11.3	0	0	0	111.3	F106 N112 G113 D114 D115 V117	F106-D110 HydrophobicContact CE1-CB 4.35Å; F106-D110 WeakPolarHBondContact O-CB 3.33Å; F106-D110 PolarHBondContact O-N 3.12Å; D110-N112 VanDerWaalsContact C-N 3.26Å; D110-N112 PolarHBondContact O-N 2.93Å; D110-N112 PolarHBondContact OD1-N 3.34Å; D110-G113 WeakPolarHBondContact OD1-CA 3.36Å; D110-G113 PolarHBondContact OD1-N 3.28Å; D110-G113 VanDerWaalsContact OD2-CA 3.23Å; D110-G113 WeakPolarHBondContact OD2-CA 3.34Å; D110-D114 PolarHBondContact OD1-N 3.38Å; D110-D114 PolarHBondContact OD2-N 2.87Å; D110-D114 VanDerWaalsContact OD2-N 3.15Å; D110-D115 WeakPolarHBondContact OD2-CA 3.39Å; D110-D115 PolarHBondContact OD2-N 2.76Å; D110-V117 HydrophobicContact CB-CG2 4.19Å
111	K	79.4	Confident	83.5	Confident	115 Å²	115	60.7 Å²	60.7	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-73.2	-22.5	-179.6	-68.1	-176.5	-179	174.5	0	112.9	Y109 Q125	Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 3.43Å; K111-Q125 VanDerWaalsContact CE-OE1 3.27Å
112	N	83.6	Confident	83.7	Confident	89 Å²	89	58.9 Å²	58.9	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	-95.6	-19.6	-171.8	91.4	56.4	0	0	0	111.5	D110 D114 E121	D110-N112 VanDerWaalsContact C-N 3.26Å; D110-N112 PolarHBondContact O-N 2.93Å; D110-N112 PolarHBondContact OD1-N 3.34Å; N112-D114 VanDerWaalsContact CG-CG 3.48Å; N112-D114 PolarHBondContact ND2-OD1 3.08Å; N112-D114 PolarHBondContact ND2-OD2 3.1Å; N112-D114 WeakPolarHBondContact OD1-CB 3.23Å; N112-D114 PolarHBondContact OD1-N 3.04Å; N112-D114 PolarHBondContact OD1-OD1 2.81Å; N112-D114 VanDerWaalsContact OD1-OD1 3.09Å; N112-D114 PolarHBondContact OD1-OD2 2.84Å; N112-E121 WeakPolarHBondContact CB-OE1 3.32Å; N112-E121 PolarHBondContact ND2-OE1 2.81Å
113	G	83.8	Confident	83.3	Confident	55 Å²	55	58.9 Å²	58.9	57%	0.567	31%	0.309	S	S	*	.			trans	75.5	33.1	176.6	0	0	0	0	0	113	D110	D110-G113 WeakPolarHBondContact OD1-CA 3.36Å; D110-G113 PolarHBondContact OD1-N 3.28Å; D110-G113 VanDerWaalsContact OD2-CA 3.23Å; D110-G113 WeakPolarHBondContact OD2-CA 3.34Å
114	D	86.2	Confident	82.9	Confident	78 Å²	78	58 Å²	58	42%	0.417	31%	0.308	S	S	.	.	S	Bend	trans	-97.6	14.5	177	70.1	-9.4	0	0	0	113.8	D110 N112 T116	D110-D114 PolarHBondContact OD1-N 3.38Å; D110-D114 PolarHBondContact OD2-N 2.87Å; D110-D114 VanDerWaalsContact OD2-N 3.15Å; N112-D114 VanDerWaalsContact CG-CG 3.48Å; N112-D114 PolarHBondContact ND2-OD1 3.08Å; N112-D114 PolarHBondContact ND2-OD2 3.1Å; N112-D114 WeakPolarHBondContact OD1-CB 3.23Å; N112-D114 PolarHBondContact OD1-N 3.04Å; N112-D114 PolarHBondContact OD1-OD1 2.81Å; N112-D114 VanDerWaalsContact OD1-OD1 3.09Å; N112-D114 PolarHBondContact OD1-OD2 2.84Å; D114-T116 PolarHBondContact O-N 2.67Å; D114-T116 PolarHBondContact O-OG1 3.06Å; D114-T116 PolarHBondContact OD1-N 2.65Å
115	D	85.8	Confident	82.3	Confident	126 Å²	126	55 Å²	55	67%	0.674	29%	0.293	S	S	*	.	S	Bend	trans	57.3	26.7	179	-59.3	-48.8	0	0	0	111.9	F106 D110	F106-D115 WeakPolarHBondContact CZ-O 3.47Å; D110-D115 WeakPolarHBondContact OD2-CA 3.39Å; D110-D115 PolarHBondContact OD2-N 2.76Å
116	T	87.9	Confident	81.6	Confident	34 Å²	34	55.7 Å²	55.7	21%	0.209	30%	0.297	C	S	.	.			trans	-141.5	128.9	179.8	-54.8	0	0	0	0	109.6	D114 G186 L187	D114-T116 PolarHBondContact O-N 2.67Å; D114-T116 PolarHBondContact O-OG1 3.06Å; D114-T116 PolarHBondContact OD1-N 2.65Å; T116-G186 VanDerWaalsContact CG2-C 3.47Å; T116-L187 WeakPolarHBondContact CA-O 3.34Å
117	V	88.1	Confident	80.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.4	174.9	175.4	0	0	0	0	109.5	F106 D110 F176 G186 L187 F192	F106-V117 HydrophobicContact CD2-CG2 3.68Å; F106-V117 HydrophobicContact CE2-CB 4.32Å; F106-V117 HydrophobicContact CE2-CG2 3.56Å; F106-V117 HydrophobicContact CG-CG2 4.28Å; F106-V117 HydrophobicContact CZ-CG2 4.05Å; D110-V117 HydrophobicContact CB-CG2 4.19Å; V117-F176 WeakPolarHBondContact O-CZ 3.23Å; V117-G186 CarbonylContact O-C 3.6Å; V117-G186 VanDerWaalsContact O-CA 3.28Å; V117-G186 WeakPolarHBondContact O-CA 3.44Å; V117-L187 PolarHBondContact N-O 3.26Å; V117-L187 PolarHBondContact O-N 2.84Å; V117-F192 HydrophobicContact CB-CD2 4.17Å; V117-F192 HydrophobicContact CB-CE2 4.46Å; V117-F192 HydrophobicContact CG1-CD2 4.29Å; V117-F192 HydrophobicContact CG1-CE2 4.15Å; V117-F192 HydrophobicContact CG2-CD2 4.3Å; V117-F192 HydrophobicContact CG2-CE2 4.46Å
118	T	89	Confident	79.2	Confident	30 Å²	30	58.3 Å²	58.3	18%	0.184	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	158.4	175	64.2	0	0	0	0	112	D120 E121 Y122	T118-D120 PolarHBondContact O-N 2.97Å; T118-E121 WeakPolarHBondContact CB-OE2 3.49Å; T118-E121 PolarHBondContact N-OE2 3.08Å; T118-E121 PolarHBondContact O-N 3.18Å; T118-E121 VanDerWaalsContact O-N 3.11Å; T118-E121 VanDerWaalsContact OG1-CD 3.31Å; T118-E121 WeakPolarHBondContact OG1-CG 3.28Å; T118-E121 PolarHBondContact OG1-N 2.87Å; T118-E121 PolarHBondContact OG1-OE2 3.06Å; T118-Y122 PolarHBondContact O-N 3.31Å
119	W	85.5	Confident	77.7	Confident	33 Å²	33	61.6 Å²	61.6	13%	0.125	31%	0.313	C	S	.	.	H	α-helix	trans	-57.1	-35.7	176.4	-177	-114.1	0	0	0	112.4	Y122 N123 H169 D172 K173 F176	W119-Y122 HydrophobicContact CE3-CD1 4.13Å; W119-Y122 HydrophobicContact CH2-CD1 4.22Å; W119-Y122 HydrophobicContact CH2-CE1 4.34Å; W119-Y122 AromaticContact CZ3-CD1 3.72Å; W119-Y122 HydrophobicContact CZ3-CD1 3.72Å; W119-Y122 HydrophobicContact CZ3-CE1 4.07Å; W119-N123 PolarHBondContact NE1-ND2 3.41Å; W119-N123 WeakPolarHBondContact O-CB 3.43Å; W119-N123 VanDerWaalsContact O-CG 3.31Å; W119-N123 PolarHBondContact O-N 2.99Å; W119-N123 PolarHBondContact O-ND2 3.42Å; W119-H169 AromaticContact CE2-CE1 3.95Å; W119-H169 AromaticContact CZ2-CE1 3.43Å; W119-H169 VanDerWaalsContact CZ2-CE1 3.43Å; W119-H169 WeakPolarHBondContact CZ2-CE1 3.5Å; W119-H169 AromaticContact CZ2-ND1 3.79Å; W119-H169 AromaticContact CZ2-NE2 3.85Å; W119-H169 AromaticContact NE1-CE1 3.93Å; W119-D172 HydrophobicContact CH2-CB 3.76Å; W119-D172 HydrophobicContact CZ3-CB 4.28Å; W119-K173 HydrophobicContact CH2-CB 3.67Å; W119-K173 HydrophobicContact CH2-CG 4.36Å; W119-K173 HydrophobicContact CZ2-CB 3.49Å; W119-K173 VanDerWaalsContact CZ2-CB 3.49Å; W119-K173 HydrophobicContact CZ2-CD 4.37Å; W119-K173 HydrophobicContact CZ2-CG 3.9Å; W119-K173 HydrophobicContact CZ3-CB 4.39Å; W119-F176 HydrophobicContact CB-CE1 4.16Å; W119-F176 HydrophobicContact CB-CZ 4.17Å; W119-F176 HydrophobicContact CE3-CB 3.78Å; W119-F176 HydrophobicContact CE3-CD1 4.05Å; W119-F176 AromaticContact CE3-CD2 3.56Å; W119-F176 HydrophobicContact CE3-CD2 3.56Å; W119-F176 HydrophobicContact CE3-CE2 4.08Å; W119-F176 AromaticContact CE3-CG 3.53Å; W119-F176 HydrophobicContact CE3-CG 3.53Å; W119-F176 HydrophobicContact CZ3-CB 3.71Å; W119-F176 AromaticContact CZ3-CD2 3.98Å; W119-F176 HydrophobicContact CZ3-CD2 3.98Å; W119-F176 AromaticContact CZ3-CG 3.95Å; W119-F176 HydrophobicContact CZ3-CG 3.95Å
120	D	82.4	Confident	76.4	Confident	88 Å²	88	64.4 Å²	64.4	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-41	177.9	-72.7	-19.2	0	0	0	111.7	T118 N123 I124 V130	T118-D120 PolarHBondContact O-N 2.97Å; D120-N123 PolarHBondContact O-N 3.5Å; D120-I124 WeakPolarHBondContact O-CD1 3.39Å; D120-I124 WeakPolarHBondContact O-CG1 3.3Å; D120-I124 PolarHBondContact O-N 3.22Å; D120-V130 HydrophobicContact CB-CG2 4.39Å; D120-V130 WeakPolarHBondContact OD1-CG1 3.4Å
121	E	83.3	Confident	74.9	Confident	20 Å²	20	65 Å²	65	9%	0.093	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-44.1	177.7	-76.6	165.2	144.9	0	0	112.2	N112 T118 N123 I124 Q125	N112-E121 WeakPolarHBondContact CB-OE1 3.32Å; N112-E121 PolarHBondContact ND2-OE1 2.81Å; T118-E121 WeakPolarHBondContact CB-OE2 3.49Å; T118-E121 PolarHBondContact N-OE2 3.08Å; T118-E121 PolarHBondContact O-N 3.18Å; T118-E121 VanDerWaalsContact O-N 3.11Å; T118-E121 VanDerWaalsContact OG1-CD 3.31Å; T118-E121 WeakPolarHBondContact OG1-CG 3.28Å; T118-E121 PolarHBondContact OG1-N 2.87Å; T118-E121 PolarHBondContact OG1-OE2 3.06Å; E121-N123 VanDerWaalsContact C-N 3.33Å; E121-N123 PolarHBondContact O-N 3.24Å; E121-I124 PolarHBondContact O-N 3.34Å; E121-Q125 PolarHBondContact O-N 3.11Å
122	Y	82	Confident	73.2	Confident	13 Å²	13	65.5 Å²	65.5	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-54.6	-49.3	172.1	179.9	-102.1	0	0	0	111.4	Y109 T118 W119 I124 Q125 M126 D172 F195	Y109-Y122 AromaticContact CD1-CD2 3.99Å; Y109-Y122 HydrophobicContact CD1-CD2 3.99Å; Y109-Y122 AromaticContact CE1-CD2 3.74Å; Y109-Y122 HydrophobicContact CE1-CD2 3.74Å; Y109-Y122 HydrophobicContact CE1-CE2 4.09Å; T118-Y122 PolarHBondContact O-N 3.31Å; W119-Y122 HydrophobicContact CE3-CD1 4.13Å; W119-Y122 HydrophobicContact CH2-CD1 4.22Å; W119-Y122 HydrophobicContact CH2-CE1 4.34Å; W119-Y122 AromaticContact CZ3-CD1 3.72Å; W119-Y122 HydrophobicContact CZ3-CD1 3.72Å; W119-Y122 HydrophobicContact CZ3-CE1 4.07Å; Y122-I124 PolarHBondContact O-N 3Å; Y122-Q125 PolarHBondContact O-N 2.65Å; Y122-M126 HydrophobicContact CD1-CG 4.48Å; Y122-M126 HydrophobicContact CD2-CG 4.27Å; Y122-M126 HydrophobicContact CE1-CG 3.98Å; Y122-M126 HydrophobicContact CE2-CE 3.78Å; Y122-M126 HydrophobicContact CE2-CG 3.75Å; Y122-M126 WeakPolarHBondContact O-CB 3.23Å; Y122-M126 PolarHBondContact O-N 3.44Å; Y122-D172 HydrophobicContact CE1-CB 4.37Å; Y122-F195 HydrophobicContact CD2-CE1 4.15Å; Y122-F195 HydrophobicContact CE1-CE1 4.43Å; Y122-F195 HydrophobicContact CE1-CZ 4.08Å; Y122-F195 AromaticContact CE2-CE1 3.52Å; Y122-F195 HydrophobicContact CE2-CE1 3.52Å; Y122-F195 HydrophobicContact CE2-CZ 4.01Å; Y122-F195 AromaticContact CZ-CE1 3.68Å; Y122-F195 AromaticContact CZ-CZ 3.66Å
123	N	74.2	Confident	71.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-40.5	178.7	-76.6	-49.1	0	0	0	113.1	W119 D120 E121 Q125 Y127 R129 H169	W119-N123 PolarHBondContact NE1-ND2 3.41Å; W119-N123 WeakPolarHBondContact O-CB 3.43Å; W119-N123 VanDerWaalsContact O-CG 3.31Å; W119-N123 PolarHBondContact O-N 2.99Å; W119-N123 PolarHBondContact O-ND2 3.42Å; D120-N123 PolarHBondContact O-N 3.5Å; E121-N123 VanDerWaalsContact C-N 3.33Å; E121-N123 PolarHBondContact O-N 3.24Å; N123-Q125 VanDerWaalsContact C-N 3.29Å; N123-Q125 PolarHBondContact O-N 3.27Å; N123-Y127 HydrophobicContact CB-CD2 4.45Å; N123-Y127 WeakPolarHBondContact O-CA 3.47Å; N123-Y127 VanDerWaalsContact O-CB 3.25Å; N123-Y127 WeakPolarHBondContact O-CB 3.38Å; N123-Y127 PolarHBondContact O-N 3.27Å; N123-R129 CarbonylContact C-O 3.56Å; N123-H169 PolarHBondContact OD1-CE1 2.67Å; N123-H169 PolarHBondContact OD1-ND1 3.18Å
124	I	73.7	Confident	69.7	Low	60 Å²	60	64.3 Å²	64.3	31%	0.308	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-40	177.8	-69.2	162.2	0	0	0	110.4	D120 E121 Y122 D128 V130	D120-I124 WeakPolarHBondContact O-CD1 3.39Å; D120-I124 WeakPolarHBondContact O-CG1 3.3Å; D120-I124 PolarHBondContact O-N 3.22Å; E121-I124 PolarHBondContact O-N 3.34Å; Y122-I124 PolarHBondContact O-N 3Å; I124-D128 WeakPolarHBondContact O-CA 3.45Å; I124-D128 PolarHBondContact O-N 3.2Å; I124-V130 HydrophobicContact CD1-CG2 3.67Å; I124-V130 HydrophobicContact CG1-CG2 3.5Å
125	Q	69.1	Low	67.6	Low	68 Å²	68	67 Å²	67	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-73	-46.6	180	-173.7	67.8	0.3	0	0	111.9	Y109 K111 E121 Y122 N123	Y109-Q125 HydrophobicContact CD1-CB 3.39Å; Y109-Q125 HydrophobicContact CD1-CG 3.48Å; Y109-Q125 VanDerWaalsContact CD1-CG 3.48Å; Y109-Q125 HydrophobicContact CE1-CB 3.4Å; Y109-Q125 HydrophobicContact CE1-CG 3.28Å; Y109-Q125 HydrophobicContact CG-CB 4.43Å; Y109-Q125 HydrophobicContact CG-CG 4.22Å; K111-Q125 VanDerWaalsContact CE-OE1 3.27Å; E121-Q125 PolarHBondContact O-N 3.11Å; Y122-Q125 PolarHBondContact O-N 2.65Å; N123-Q125 VanDerWaalsContact C-N 3.29Å; N123-Q125 PolarHBondContact O-N 3.27Å
126	M	65.6	Low	65.5	Low	84 Å²	84	67.4 Å²	67.4	41%	0.414	33%	0.333	S	S	.	.	H	α-helix	trans	-71.6	-34.7	-179.4	-77.9	-57.9	-167.2	0	0	113.7	Y109 Y122	Y109-M126 HydrophobicContact CE1-CE 4.43Å; Y109-M126 HydrophobicContact CE1-CG 4.17Å; Y109-M126 WeakPolarHBondContact OH-CE 3.31Å; Y109-M126 PolarHBondContact OH-SD 3.33Å; Y122-M126 HydrophobicContact CD1-CG 4.48Å; Y122-M126 HydrophobicContact CD2-CG 4.27Å; Y122-M126 HydrophobicContact CE1-CG 3.98Å; Y122-M126 HydrophobicContact CE2-CE 3.78Å; Y122-M126 HydrophobicContact CE2-CG 3.75Å; Y122-M126 WeakPolarHBondContact O-CB 3.23Å; Y122-M126 PolarHBondContact O-N 3.44Å
127	Y	61.3	Low	63.4	Low	36 Å²	36	69.4 Å²	69.4	14%	0.141	35%	0.345	C	S	.	.	H	α-helix	trans	-121	1.6	-166.9	-61.2	-53.5	0	0	0	114.3	N123 R129 I131 R165 H169 D172	N123-Y127 HydrophobicContact CB-CD2 4.45Å; N123-Y127 WeakPolarHBondContact O-CA 3.47Å; N123-Y127 VanDerWaalsContact O-CB 3.25Å; N123-Y127 WeakPolarHBondContact O-CB 3.38Å; N123-Y127 PolarHBondContact O-N 3.27Å; Y127-R129 PolarHBondContact O-N 2.92Å; Y127-I131 HydrophobicContact CD1-CD1 4.4Å; Y127-I131 HydrophobicContact CD2-CD1 4.01Å; Y127-I131 HydrophobicContact CG-CD1 3.79Å; Y127-R165 VanDerWaalsContact CD1-CZ 3.48Å; Y127-R165 HydrophobicContact CE1-CG 4.03Å; Y127-R165 PolarHBondContact O-NH2 2.96Å; Y127-H169 AromaticContact CE2-ND1 3.81Å; Y127-D172 PolarHBondContact OH-OD2 3.39Å
128	D	56	Low	61.2	Low	142 Å²	142	73.9 Å²	73.9	76%	0.759	38%	0.383	S	S	*	.	S	Bend	trans	58.5	9.9	-175.7	-160.7	27.6	0	0	0	113	I124	I124-D128 WeakPolarHBondContact O-CA 3.45Å; I124-D128 PolarHBondContact O-N 3.2Å
129	R	50.3	Low	59	Low	191 Å²	191	75.6 Å²	75.6	72%	0.721	39%	0.39	S	S	*	.	S	Bend	trans	-159.2	146.3	-177.7	-60.8	-171.8	-177.3	-164.5	-0.6	110.7	N123 Y127 I131	N123-R129 CarbonylContact C-O 3.56Å; Y127-R129 PolarHBondContact O-N 2.92Å; R129-I131 PolarHBondContact O-N 3.46Å
130	V	52.5	Low	57.2	Low	73 Å²	73	78 Å²	78	44%	0.442	41%	0.406	S	S	.	.			trans	-68.2	118.9	165.7	-176.7	0	0	0	0	108.4	D120 I124	D120-V130 HydrophobicContact CB-CG2 4.39Å; D120-V130 WeakPolarHBondContact OD1-CG1 3.4Å; I124-V130 HydrophobicContact CD1-CG2 3.67Å; I124-V130 HydrophobicContact CG1-CG2 3.5Å
131	I	52.5	Low	55.8	Low	31 Å²	31	80.3 Å²	80.3	16%	0.159	42%	0.418	C	S	.	.			trans	-105.8	107.4	173	-61.2	179.6	0	0	0	105.9	Y127 R129 F133 H169	Y127-I131 HydrophobicContact CD1-CD1 4.4Å; Y127-I131 HydrophobicContact CD2-CD1 4.01Å; Y127-I131 HydrophobicContact CG-CD1 3.79Å; R129-I131 PolarHBondContact O-N 3.46Å; I131-F133 HydrophobicContact CG2-CD2 3.13Å; I131-F133 HydrophobicContact CG2-CE2 3.41Å; I131-F133 VanDerWaalsContact CG2-CE2 3.41Å; I131-F133 HydrophobicContact CG2-CG 4.19Å; I131-H169 PolarHBondContact O-CE1 2.91Å; I131-H169 PolarHBondContact O-NE2 3.33Å
132	D	45.4	Very low	54.2	Low	125 Å²	125	82.8 Å²	82.8	67%	0.668	44%	0.442	S	S	*	.			trans	-103.8	88.2	174.3	-169.1	8.4	0	0	0	108.2
133	F	49.5	Very low	52.8	Low	47 Å²	47	87.4 Å²	87.4	21%	0.206	46%	0.464	C	S	.	.			trans	-103.2	98.8	168.5	-79.1	-66	0	0	0	108.5	I131 W162 F166	I131-F133 HydrophobicContact CG2-CD2 3.13Å; I131-F133 HydrophobicContact CG2-CE2 3.41Å; I131-F133 VanDerWaalsContact CG2-CE2 3.41Å; I131-F133 HydrophobicContact CG2-CG 4.19Å; F133-W162 HydrophobicContact CE1-CZ2 4.03Å; F133-W162 HydrophobicContact CE2-CZ2 4.48Å; F133-W162 AromaticContact CZ-CZ2 3.78Å; F133-W162 HydrophobicContact CZ-CZ2 3.78Å; F133-W162 AromaticContact CZ-NE1 4Å; F133-F166 HydrophobicContact CB-CD2 4.11Å; F133-F166 HydrophobicContact CB-CE2 3.55Å; F133-F166 HydrophobicContact CB-CZ 4.48Å; F133-F166 HydrophobicContact CD1-CD2 4.08Å; F133-F166 AromaticContact CD1-CE2 3.62Å; F133-F166 HydrophobicContact CD1-CE2 3.62Å; F133-F166 AromaticContact CD2-CD2 3.66Å; F133-F166 HydrophobicContact CD2-CD2 3.66Å; F133-F166 AromaticContact CD2-CE2 3.92Å; F133-F166 HydrophobicContact CD2-CE2 3.92Å; F133-F166 HydrophobicContact CE1-CD2 4.45Å; F133-F166 HydrophobicContact CE1-CE2 4.3Å; F133-F166 HydrophobicContact CE2-CD2 4.11Å; F133-F166 AromaticContact CG-CD2 3.7Å; F133-F166 HydrophobicContact CG-CD2 3.7Å; F133-F166 AromaticContact CG-CE2 3.43Å; F133-F166 HydrophobicContact CG-CE2 3.43Å; F133-F166 VanDerWaalsContact CG-CE2 3.43Å; F133-F166 HydrophobicContact CZ-CD2 4.49Å
134	D	43.1	Very low	51.7	Low	72 Å²	72	90.4 Å²	90.4	39%	0.385	48%	0.478	S	S	.	.			trans	-76.2	130.1	167.9	169.6	20.5	0	0	0	109.7	N136 T137	D134-N136 PolarHBondContact O-N 3.13Å; D134-N136 PolarHBondContact OD1-N 3.15Å; D134-T137 WeakPolarHBondContact CB-OG1 3.41Å; D134-T137 PolarHBondContact O-N 3.37Å
135	E	43.4	Very low	50.4	Low	134 Å²	134	92.2 Å²	92.2	63%	0.626	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.2	177.7	-161.4	174.5	-161.5	0	0	112.3
136	N	41.7	Very low	49.4	Very low	134 Å²	134	92.1 Å²	92.1	72%	0.717	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	7.6	176.4	-67.6	-62.6	0	0	0	115.4	D134 A138	D134-N136 PolarHBondContact O-N 3.13Å; D134-N136 PolarHBondContact OD1-N 3.15Å; N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 3.2Å
137	T	42.6	Very low	48.6	Very low	76 Å²	76	94 Å²	94	47%	0.466	50%	0.498	S	S	.	.			trans	-72.6	90.1	173.4	-58.9	0	0	0	0	109.1	D134 L139	D134-T137 WeakPolarHBondContact CB-OG1 3.41Å; D134-T137 PolarHBondContact O-N 3.37Å; T137-L139 VanDerWaalsContact C-N 3.26Å; T137-L139 HydrophobicContact CG2-CD2 4.21Å; T137-L139 PolarHBondContact O-N 3.39Å
138	A	42.1	Very low	47.8	Very low	95 Å²	95	99.1 Å²	99.1	79%	0.785	52%	0.517	S	S	*	.			trans	-61.8	95.2	160.8	0	0	0	0	0	107.2	N136 D140	N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 3.2Å; A138-D140 PolarHBondContact O-N 3.29Å
139	L	43.3	Very low	47.2	Very low	65 Å²	65	98.5 Å²	98.5	34%	0.34	51%	0.508	S	S	.	.			trans	-53.5	122.8	170.7	-65.2	170.3	0	0	0	107.3	T137 E144	T137-L139 VanDerWaalsContact C-N 3.26Å; T137-L139 HydrophobicContact CG2-CD2 4.21Å; T137-L139 PolarHBondContact O-N 3.39Å; L139-E144 HydrophobicContact CB-CB 3.95Å; L139-E144 HydrophobicContact CB-CG 4.15Å; L139-E144 HydrophobicContact CD1-CG 4.09Å
140	D	47	Very low	46.9	Very low	85 Å²	85	97.3 Å²	97.3	46%	0.455	51%	0.51	S	S	.	.			trans	-66.7	151.6	172.8	68.9	27	0	0	0	109.5	A138 A142 E143 E144	A138-D140 PolarHBondContact O-N 3.29Å; D140-A142 PolarHBondContact O-N 3.32Å; D140-A142 PolarHBondContact OD1-N 2.68Å; D140-E143 PolarHBondContact O-N 3.05Å; D140-E143 VanDerWaalsContact O-N 3.16Å; D140-E143 VanDerWaalsContact OD1-CB 3.24Å; D140-E143 WeakPolarHBondContact OD1-CB 3.23Å; D140-E143 VanDerWaalsContact OD1-CG 3.29Å; D140-E143 WeakPolarHBondContact OD1-CG 3.47Å; D140-E143 PolarHBondContact OD1-N 2.9Å; D140-E144 WeakPolarHBondContact O-CB 3.44Å; D140-E144 PolarHBondContact O-N 3.49Å
141	D	53	Low	46.4	Very low	135 Å²	135	99.7 Å²	99.7	72%	0.722	52%	0.515	S	S	*	.	H	α-helix	trans	-55.7	-20	-173.9	-64.8	-29.1	0	0	0	112.7	E145	D141-E145 WeakPolarHBondContact O-CB 3.38Å; D141-E145 PolarHBondContact O-N 3.42Å
142	A	50.7	Low	45.8	Very low	72 Å²	72	101.9 Å²	101.9	60%	0.595	54%	0.537	S	S	*	.	H	α-helix	trans	-88.1	-39.6	-178	0	0	0	0	0	113.1	D140 S146	D140-A142 PolarHBondContact O-N 3.32Å; D140-A142 PolarHBondContact OD1-N 2.68Å; A142-S146 PolarHBondContact O-N 2.68Å
143	E	52.7	Low	45.5	Very low	111 Å²	111	103.4 Å²	103.4	52%	0.519	54%	0.544	S	S	.	.	H	α-helix	trans	-75.4	-37.9	174	-71.3	-179.3	159.5	0	0	111	D140 E145 S146 F147	D140-E143 PolarHBondContact O-N 3.05Å; D140-E143 VanDerWaalsContact O-N 3.16Å; D140-E143 VanDerWaalsContact OD1-CB 3.24Å; D140-E143 WeakPolarHBondContact OD1-CB 3.23Å; D140-E143 VanDerWaalsContact OD1-CG 3.29Å; D140-E143 WeakPolarHBondContact OD1-CG 3.47Å; D140-E143 PolarHBondContact OD1-N 2.9Å; E143-E145 VanDerWaalsContact C-N 3.27Å; E143-E145 PolarHBondContact O-N 3.35Å; E143-S146 PolarHBondContact O-N 3.48Å; E143-F147 PolarHBondContact O-N 3.4Å
144	E	51.1	Low	45	Very low	63 Å²	63	104.8 Å²	104.8	29%	0.294	56%	0.559	S	S	.	*	H	α-helix	trans	-61.1	-38.3	171.6	-154.9	-163.8	-175.8	0	0	110.9	L139 D140 R148	L139-E144 HydrophobicContact CB-CB 3.95Å; L139-E144 HydrophobicContact CB-CG 4.15Å; L139-E144 HydrophobicContact CD1-CG 4.09Å; D140-E144 WeakPolarHBondContact O-CB 3.44Å; D140-E144 PolarHBondContact O-N 3.49Å; E144-R148 WeakPolarHBondContact O-CB 3.35Å; E144-R148 WeakPolarHBondContact O-CG 3.48Å; E144-R148 PolarHBondContact O-N 3.16Å; E144-R148 IonicContact OE1-CZ 3.54Å; E144-R148 IonicContact OE1-NE 3.71Å; E144-R148 IonicContact OE1-NH2 2.72Å; E144-R148 PolarHBondContact OE1-NH2 3.18Å; E144-R148 IonicContact OE2-CZ 2.94Å; E144-R148 IonicContact OE2-NE 2.83Å; E144-R148 IonicContact OE2-NH2 3.22Å; E144-R148 PolarHBondContact OE2-NH2 3.08Å
145	E	45.7	Very low	44.6	Very low	97 Å²	97	107.5 Å²	107.5	45%	0.453	57%	0.572	S	S	.	*	H	α-helix	trans	-79.9	-22.3	177.9	-161.2	164.2	171.2	0	0	113.4	D141 E143 K149	D141-E145 WeakPolarHBondContact O-CB 3.38Å; D141-E145 PolarHBondContact O-N 3.42Å; E143-E145 VanDerWaalsContact C-N 3.27Å; E143-E145 PolarHBondContact O-N 3.35Å; E145-K149 HydrophobicContact CG-CD 3.97Å; E145-K149 HydrophobicContact CG-CG 4.21Å; E145-K149 WeakPolarHBondContact O-CA 3.49Å; E145-K149 WeakPolarHBondContact O-CB 3.35Å; E145-K149 WeakPolarHBondContact O-CD 3.46Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.9Å; E145-K149 WeakPolarHBondContact OE1-CE 3.46Å; E145-K149 IonicContact OE1-NZ 2.7Å; E145-K149 PolarHBondContact OE1-NZ 3.39Å; E145-K149 IonicContact OE2-NZ 3.97Å
146	S	48.8	Very low	44.6	Very low	66 Å²	66	110.5 Å²	110.5	46%	0.462	58%	0.583	S	S	.	*	H	α-helix	trans	-73.6	-46.7	169.7	-169.6	0	0	0	0	111.4	A142 E143 K149 E150	A142-S146 PolarHBondContact O-N 2.68Å; E143-S146 PolarHBondContact O-N 3.48Å; S146-K149 PolarHBondContact O-N 3.13Å; S146-E150 WeakPolarHBondContact O-CB 3.43Å; S146-E150 PolarHBondContact O-N 3.17Å
147	F	47	Very low	44.8	Very low	123 Å²	123	111.9 Å²	111.9	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-61.6	-45.3	172	-95	-83.6	0	0	0	111.1	E143 F151	E143-F147 PolarHBondContact O-N 3.4Å; F147-F151 WeakPolarHBondContact O-CB 3.38Å; F147-F151 PolarHBondContact O-N 3.11Å; F147-F151 VanDerWaalsContact O-N 3.12Å
148	R	45.8	Very low	45.2	Very low	144 Å²	144	110.2 Å²	110.2	54%	0.543	58%	0.577	S	S	.	*	H	α-helix	trans	-61.4	-45.6	172	-77	-175.6	-141.5	-151.1	11.3	111.1	E144 F151 A152	E144-R148 WeakPolarHBondContact O-CB 3.35Å; E144-R148 WeakPolarHBondContact O-CG 3.48Å; E144-R148 PolarHBondContact O-N 3.16Å; E144-R148 IonicContact OE1-CZ 3.54Å; E144-R148 IonicContact OE1-NE 3.71Å; E144-R148 IonicContact OE1-NH2 2.72Å; E144-R148 PolarHBondContact OE1-NH2 3.18Å; E144-R148 IonicContact OE2-CZ 2.94Å; E144-R148 IonicContact OE2-NE 2.83Å; E144-R148 IonicContact OE2-NH2 3.22Å; E144-R148 PolarHBondContact OE2-NH2 3.08Å; R148-F151 CarbonylContact O-C 3.53Å; R148-F151 PolarHBondContact O-N 2.84Å; R148-A152 WeakPolarHBondContact O-CA 3.48Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 3.06Å
149	K	43.1	Very low	45.8	Very low	130 Å²	130	111.8 Å²	111.8	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-70.1	-34	-175.1	-82.8	170.2	-179.4	150.6	0	113.5	E145 S146	E145-K149 HydrophobicContact CG-CD 3.97Å; E145-K149 HydrophobicContact CG-CG 4.21Å; E145-K149 WeakPolarHBondContact O-CA 3.49Å; E145-K149 WeakPolarHBondContact O-CB 3.35Å; E145-K149 WeakPolarHBondContact O-CD 3.46Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 2.9Å; E145-K149 WeakPolarHBondContact OE1-CE 3.46Å; E145-K149 IonicContact OE1-NZ 2.7Å; E145-K149 PolarHBondContact OE1-NZ 3.39Å; E145-K149 IonicContact OE2-NZ 3.97Å; S146-K149 PolarHBondContact O-N 3.13Å
150	E	44.3	Very low	46.4	Very low	165 Å²	165	112.6 Å²	112.6	77%	0.771	58%	0.576	S	S	*	*	H	α-helix	trans	-77.4	-29.2	178.6	-149.6	159.7	-160.7	0	0	111.6	S146	S146-E150 WeakPolarHBondContact O-CB 3.43Å; S146-E150 PolarHBondContact O-N 3.17Å
151	F	41.1	Very low	46.6	Very low	124 Å²	124	115.1 Å²	115.1	54%	0.544	58%	0.583	S	S	.	*	H	α-helix	trans	-94.6	-15.5	172.5	-96.3	-97.8	0	0	0	115.6	F147 R148 I153 C154	F147-F151 WeakPolarHBondContact O-CB 3.38Å; F147-F151 PolarHBondContact O-N 3.11Å; F147-F151 VanDerWaalsContact O-N 3.12Å; R148-F151 CarbonylContact O-C 3.53Å; R148-F151 PolarHBondContact O-N 2.84Å; F151-I153 PolarHBondContact O-N 2.92Å; F151-C154 PolarHBondContact O-N 3.36Å; F151-C154 VanDerWaalsContact O-N 3.15Å
152	A	39.8	Very low	47	Very low	76 Å²	76	112.7 Å²	112.7	63%	0.628	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-8.8	-173.2	0	0	0	0	0	113.6	R148 C154	R148-A152 WeakPolarHBondContact O-CA 3.48Å; R148-A152 WeakPolarHBondContact O-CB 3.41Å; R148-A152 PolarHBondContact O-N 3.06Å; A152-C154 VanDerWaalsContact C-N 3.32Å
153	I	40.2	Very low	47.3	Very low	157 Å²	157	112.3 Å²	112.3	81%	0.805	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-9	178	-60.9	179.4	0	0	0	111.4	F151	F151-I153 PolarHBondContact O-N 2.92Å
154	C	38.3	Very low	47.6	Very low	77 Å²	77	112 Å²	112	52%	0.52	55%	0.553	S	S	.	*	S	Bend	trans	-123.3	86.7	177	-142.6	0	0	0	0	112.7	F151 A152 S158	F151-C154 PolarHBondContact O-N 3.36Å; F151-C154 VanDerWaalsContact O-N 3.15Å; A152-C154 VanDerWaalsContact C-N 3.32Å; C154-S158 WeakPolarHBondContact O-CB 3.38Å
155	I	34.7	Very low	48.2	Very low	129 Å²	129	113.3 Å²	113.3	66%	0.662	56%	0.555	S	S	*	*			trans	33.7	129	142.1	-50.5	-175.7	0	0	0	117.6	Q157 S158	I155-Q157 WeakPolarHBondContact O-CA 3.44Å; I155-Q157 PolarHBondContact O-N 3.11Å; I155-S158 PolarHBondContact O-N 2.94Å
156	K	43.9	Very low	49.2	Very low	197 Å²	197	111 Å²	111	86%	0.857	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-17.8	-26.6	169.8	-62.9	-176.3	175.7	-174.6	0	119.8
157	Q	45.1	Very low	50.1	Low	163 Å²	163	111.8 Å²	111.8	76%	0.762	54%	0.543	S	S	*	.	H	α-helix	trans	-67	-42.6	171.3	-137.9	107.4	41.4	0	0	112.9	I155 C160 F161	I155-Q157 WeakPolarHBondContact O-CA 3.44Å; I155-Q157 PolarHBondContact O-N 3.11Å; Q157-C160 PolarHBondContact O-N 3.49Å; Q157-F161 PolarHBondContact O-N 3.47Å
158	S	51.1	Low	51.1	Low	41 Å²	41	109.9 Å²	109.9	29%	0.287	54%	0.538	S	S	.	.	H	α-helix	trans	-73.3	-30.7	-177.4	-69.5	0	0	0	0	113.2	C154 I155 F161 W162	C154-S158 WeakPolarHBondContact O-CB 3.38Å; I155-S158 PolarHBondContact O-N 2.94Å; S158-F161 PolarHBondContact O-N 3.4Å; S158-W162 VanDerWaalsContact O-CB 3.27Å; S158-W162 WeakPolarHBondContact O-CB 3.17Å; S158-W162 PolarHBondContact O-N 2.89Å
159	F	55.5	Low	52.4	Low	127 Å²	127	103.1 Å²	103.1	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-70.4	-37.5	174.2	-176.3	-108	0	0	0	111.8	W162 L163	F159-W162 HydrophobicContact CD2-CE3 4.22Å; F159-W162 HydrophobicContact CE2-CE3 4.02Å; F159-W162 HydrophobicContact CE2-CZ3 4.14Å; F159-W162 PolarHBondContact O-N 3.44Å; F159-L163 HydrophobicContact CD1-CD1 3.67Å; F159-L163 HydrophobicContact CD1-CG 4.41Å; F159-L163 HydrophobicContact CE1-CD1 3.21Å; F159-L163 HydrophobicContact CE1-CG 4.01Å; F159-L163 HydrophobicContact CE2-CD1 4.45Å; F159-L163 HydrophobicContact CE2-CG 4.41Å; F159-L163 HydrophobicContact CG-CD1 4.48Å; F159-L163 HydrophobicContact CZ-CD1 3.65Å; F159-L163 HydrophobicContact CZ-CD2 4.49Å; F159-L163 HydrophobicContact CZ-CG 4Å; F159-L163 WeakPolarHBondContact O-CB 3.28Å; F159-L163 PolarHBondContact O-N 3.23Å
160	C	54.6	Low	54	Low	83 Å²	83	98.3 Å²	98.3	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-64.2	-44.1	172.7	-162	0	0	0	0	111	Q157 W162 L163 L164	Q157-C160 PolarHBondContact O-N 3.49Å; C160-W162 PolarHBondContact O-N 2.85Å; C160-L163 PolarHBondContact O-N 3.23Å; C160-L164 WeakPolarHBondContact O-CB 3.43Å; C160-L164 PolarHBondContact O-N 3.38Å
161	F	53	Low	55.7	Low	137 Å²	137	93.1 Å²	93.1	60%	0.601	47%	0.468	S	S	*	.	H	α-helix	trans	-64.1	-39.3	175.5	-165.8	-98.4	0	0	0	112.5	Q157 S158 R165	Q157-F161 PolarHBondContact O-N 3.47Å; S158-F161 PolarHBondContact O-N 3.4Å; F161-R165 VanDerWaalsContact O-CB 3.31Å; F161-R165 WeakPolarHBondContact O-CB 3.44Å; F161-R165 PolarHBondContact O-N 3.19Å
162	W	59.8	Low	57.7	Low	84 Å²	84	88.3 Å²	88.3	32%	0.318	45%	0.448	S	S	.	.	H	α-helix	trans	-66.1	-45.6	174.7	-178.8	81.9	0	0	0	112.1	F133 S158 F159 C160 L164 R165 F166	F133-W162 HydrophobicContact CE1-CZ2 4.03Å; F133-W162 HydrophobicContact CE2-CZ2 4.48Å; F133-W162 AromaticContact CZ-CZ2 3.78Å; F133-W162 HydrophobicContact CZ-CZ2 3.78Å; F133-W162 AromaticContact CZ-NE1 4Å; S158-W162 VanDerWaalsContact O-CB 3.27Å; S158-W162 WeakPolarHBondContact O-CB 3.17Å; S158-W162 PolarHBondContact O-N 2.89Å; F159-W162 HydrophobicContact CD2-CE3 4.22Å; F159-W162 HydrophobicContact CE2-CE3 4.02Å; F159-W162 HydrophobicContact CE2-CZ3 4.14Å; F159-W162 PolarHBondContact O-N 3.44Å; C160-W162 PolarHBondContact O-N 2.85Å; W162-L164 VanDerWaalsContact C-N 3.35Å; W162-L164 PolarHBondContact O-N 2.72Å; W162-R165 PolarHBondContact O-N 3.07Å; W162-F166 HydrophobicContact CH2-CD2 4.39Å; W162-F166 HydrophobicContact CZ2-CD2 4.28Å; W162-F166 VanDerWaalsContact O-CB 3.22Å; W162-F166 WeakPolarHBondContact O-CB 3.35Å; W162-F166 PolarHBondContact O-N 2.97Å
163	L	58.2	Low	59.8	Low	65 Å²	65	87 Å²	87	34%	0.34	43%	0.428	S	S	.	.	H	α-helix	trans	-61.1	-42	174.5	-87.7	169.9	0	0	0	112.2	F159 C160 F166 N167	F159-L163 HydrophobicContact CD1-CD1 3.67Å; F159-L163 HydrophobicContact CD1-CG 4.41Å; F159-L163 HydrophobicContact CE1-CD1 3.21Å; F159-L163 HydrophobicContact CE1-CG 4.01Å; F159-L163 HydrophobicContact CE2-CD1 4.45Å; F159-L163 HydrophobicContact CE2-CG 4.41Å; F159-L163 HydrophobicContact CG-CD1 4.48Å; F159-L163 HydrophobicContact CZ-CD1 3.65Å; F159-L163 HydrophobicContact CZ-CD2 4.49Å; F159-L163 HydrophobicContact CZ-CG 4Å; F159-L163 WeakPolarHBondContact O-CB 3.28Å; F159-L163 PolarHBondContact O-N 3.23Å; C160-L163 PolarHBondContact O-N 3.23Å; L163-F166 PolarHBondContact O-N 3.21Å; L163-N167 WeakPolarHBondContact O-CB 3.43Å; L163-N167 PolarHBondContact O-N 2.9Å; L163-N167 PolarHBondContact O-ND2 3.19Å
164	L	58.8	Low	62.1	Low	105 Å²	105	83.6 Å²	83.6	55%	0.55	41%	0.407	S	S	.	.	H	α-helix	trans	-63	-48.1	177.1	-172.3	69.6	0	0	0	110.4	C160 W162 F166 N167 L168	C160-L164 WeakPolarHBondContact O-CB 3.43Å; C160-L164 PolarHBondContact O-N 3.38Å; W162-L164 VanDerWaalsContact C-N 3.35Å; W162-L164 PolarHBondContact O-N 2.72Å; L164-F166 VanDerWaalsContact C-N 3.33Å; L164-F166 PolarHBondContact O-N 3.13Å; L164-N167 PolarHBondContact O-N 3.23Å; L164-L168 HydrophobicContact CG-CD1 4.27Å; L164-L168 VanDerWaalsContact O-CG 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.3Å; L164-L168 PolarHBondContact O-N 3.23Å
165	R	63.5	Low	64.4	Low	89 Å²	89	82.2 Å²	82.2	34%	0.336	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-36	177.7	-170	173	179.2	173.4	-4.1	112.9	Y127 F161 W162 H169	Y127-R165 VanDerWaalsContact CD1-CZ 3.48Å; Y127-R165 HydrophobicContact CE1-CG 4.03Å; Y127-R165 PolarHBondContact O-NH2 2.96Å; F161-R165 VanDerWaalsContact O-CB 3.31Å; F161-R165 WeakPolarHBondContact O-CB 3.44Å; F161-R165 PolarHBondContact O-N 3.19Å; W162-R165 PolarHBondContact O-N 3.07Å; R165-H169 VanDerWaalsContact O-CB 3.31Å; R165-H169 WeakPolarHBondContact O-CB 3.44Å; R165-H169 PolarHBondContact O-N 2.84Å
166	F	66.1	Low	67	Low	48 Å²	48	76.6 Å²	76.6	21%	0.211	36%	0.362	C	S	.	.	H	α-helix	trans	-67.3	-44.1	175.6	179	-92.1	0	0	0	111.8	F133 W162 L163 L164 H169 L170	F133-F166 HydrophobicContact CB-CD2 4.11Å; F133-F166 HydrophobicContact CB-CE2 3.55Å; F133-F166 HydrophobicContact CB-CZ 4.48Å; F133-F166 HydrophobicContact CD1-CD2 4.08Å; F133-F166 AromaticContact CD1-CE2 3.62Å; F133-F166 HydrophobicContact CD1-CE2 3.62Å; F133-F166 AromaticContact CD2-CD2 3.66Å; F133-F166 HydrophobicContact CD2-CD2 3.66Å; F133-F166 AromaticContact CD2-CE2 3.92Å; F133-F166 HydrophobicContact CD2-CE2 3.92Å; F133-F166 HydrophobicContact CE1-CD2 4.45Å; F133-F166 HydrophobicContact CE1-CE2 4.3Å; F133-F166 HydrophobicContact CE2-CD2 4.11Å; F133-F166 AromaticContact CG-CD2 3.7Å; F133-F166 HydrophobicContact CG-CD2 3.7Å; F133-F166 AromaticContact CG-CE2 3.43Å; F133-F166 HydrophobicContact CG-CE2 3.43Å; F133-F166 VanDerWaalsContact CG-CE2 3.43Å; F133-F166 HydrophobicContact CZ-CD2 4.49Å; W162-F166 HydrophobicContact CH2-CD2 4.39Å; W162-F166 HydrophobicContact CZ2-CD2 4.28Å; W162-F166 VanDerWaalsContact O-CB 3.22Å; W162-F166 WeakPolarHBondContact O-CB 3.35Å; W162-F166 PolarHBondContact O-N 2.97Å; L163-F166 PolarHBondContact O-N 3.21Å; L164-F166 VanDerWaalsContact C-N 3.33Å; L164-F166 PolarHBondContact O-N 3.13Å; F166-H169 PolarHBondContact O-N 3.14Å; F166-L170 HydrophobicContact CD1-CD1 3.9Å; F166-L170 HydrophobicContact CD1-CG 4.43Å; F166-L170 HydrophobicContact CE1-CD1 3.29Å; F166-L170 HydrophobicContact CE1-CG 4.1Å; F166-L170 HydrophobicContact CZ-CD1 3.74Å; F166-L170 HydrophobicContact CZ-CG 4.28Å; F166-L170 WeakPolarHBondContact O-CG 3.38Å; F166-L170 PolarHBondContact O-N 3.34Å
167	N	67.7	Low	69.2	Low	84 Å²	84	72.9 Å²	72.9	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-42.8	175.6	-81.8	-78	0	0	0	111.8	L163 L164 L170 K171	L163-N167 WeakPolarHBondContact O-CB 3.43Å; L163-N167 PolarHBondContact O-N 2.9Å; L163-N167 PolarHBondContact O-ND2 3.19Å; L164-N167 PolarHBondContact O-N 3.23Å; N167-L170 PolarHBondContact O-N 3.03Å; N167-K171 WeakPolarHBondContact O-CG 3.2Å; N167-K171 PolarHBondContact O-N 3.06Å
168	L	68.6	Low	71.3	Confident	82 Å²	82	68.7 Å²	68.7	43%	0.429	33%	0.327	S	S	.	.	H	α-helix	trans	-58.1	-49.6	173.8	-72.2	168.6	0	0	0	111	L164 L170 K171 D172	L164-L168 HydrophobicContact CG-CD1 4.27Å; L164-L168 VanDerWaalsContact O-CG 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.3Å; L164-L168 PolarHBondContact O-N 3.23Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.35Å; L168-K171 WeakPolarHBondContact O-CB 3.4Å; L168-K171 PolarHBondContact O-N 3.32Å; L168-K171 VanDerWaalsContact O-N 3.09Å; L168-D172 PolarHBondContact O-N 3.31Å
169	H	73.6	Confident	73.1	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-40.3	178.2	178.7	84.5	0	0	0	113.5	W119 N123 Y127 I131 R165 F166 K173	W119-H169 AromaticContact CE2-CE1 3.95Å; W119-H169 AromaticContact CZ2-CE1 3.43Å; W119-H169 VanDerWaalsContact CZ2-CE1 3.43Å; W119-H169 WeakPolarHBondContact CZ2-CE1 3.5Å; W119-H169 AromaticContact CZ2-ND1 3.79Å; W119-H169 AromaticContact CZ2-NE2 3.85Å; W119-H169 AromaticContact NE1-CE1 3.93Å; N123-H169 PolarHBondContact OD1-CE1 2.67Å; N123-H169 PolarHBondContact OD1-ND1 3.18Å; Y127-H169 AromaticContact CE2-ND1 3.81Å; I131-H169 PolarHBondContact O-CE1 2.91Å; I131-H169 PolarHBondContact O-NE2 3.33Å; R165-H169 VanDerWaalsContact O-CB 3.31Å; R165-H169 WeakPolarHBondContact O-CB 3.44Å; R165-H169 PolarHBondContact O-N 2.84Å; F166-H169 PolarHBondContact O-N 3.14Å; H169-K173 WeakPolarHBondContact O-CB 3.12Å; H169-K173 PolarHBondContact O-N 3.14Å
170	L	76.4	Confident	74.7	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-37.9	176.3	-73.2	-179.7	0	0	0	112.4	F166 N167 L168 K173 K174	F166-L170 HydrophobicContact CD1-CD1 3.9Å; F166-L170 HydrophobicContact CD1-CG 4.43Å; F166-L170 HydrophobicContact CE1-CD1 3.29Å; F166-L170 HydrophobicContact CE1-CG 4.1Å; F166-L170 HydrophobicContact CZ-CD1 3.74Å; F166-L170 HydrophobicContact CZ-CG 4.28Å; F166-L170 WeakPolarHBondContact O-CG 3.38Å; F166-L170 PolarHBondContact O-N 3.34Å; N167-L170 PolarHBondContact O-N 3.03Å; L168-L170 VanDerWaalsContact C-N 3.32Å; L168-L170 PolarHBondContact O-N 3.35Å; L170-K173 PolarHBondContact O-N 3.43Å; L170-K174 WeakPolarHBondContact O-CG 3.21Å; L170-K174 PolarHBondContact O-N 3.48Å
171	K	79.1	Confident	76.3	Confident	55 Å²	55	63 Å²	63	24%	0.239	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-48.6	175.5	-73.6	177.4	167.4	-158.7	0	111.2	N167 L168 K173 K174 R175 E211 E215	N167-K171 WeakPolarHBondContact O-CG 3.2Å; N167-K171 PolarHBondContact O-N 3.06Å; L168-K171 WeakPolarHBondContact O-CB 3.4Å; L168-K171 PolarHBondContact O-N 3.32Å; L168-K171 VanDerWaalsContact O-N 3.09Å; K171-K173 PolarHBondContact O-N 3.11Å; K171-K174 PolarHBondContact O-N 2.71Å; K171-K174 VanDerWaalsContact O-N 3.16Å; K171-R175 PolarHBondContact O-N 2.79Å; K171-E211 IonicContact NZ-OE1 3.73Å; K171-E215 IonicContact NZ-OE1 3.43Å; K171-E215 PolarHBondContact NZ-OE1 2.93Å
172	D	83.5	Confident	77.8	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-55.9	-41.7	175.4	-63.6	-17.5	0	0	0	110.1	W119 Y122 Y127 L168 R175 F176 F195	W119-D172 HydrophobicContact CH2-CB 3.76Å; W119-D172 HydrophobicContact CZ3-CB 4.28Å; Y122-D172 HydrophobicContact CE1-CB 4.37Å; Y127-D172 PolarHBondContact OH-OD2 3.39Å; L168-D172 PolarHBondContact O-N 3.31Å; D172-R175 PolarHBondContact O-N 3.33Å; D172-F176 VanDerWaalsContact O-CB 3.29Å; D172-F176 WeakPolarHBondContact O-CB 3.45Å; D172-F176 PolarHBondContact O-N 3.25Å; D172-F195 HydrophobicContact CB-CZ 4.44Å; D172-F195 WeakPolarHBondContact O-CE2 3.39Å
173	K	84.9	Confident	78.9	Confident	47 Å²	47	62.6 Å²	62.6	20%	0.204	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-47.4	178	-170	175.6	177.8	178.2	0	112.4	W119 H169 L170 K171 R175 F176 E177	W119-K173 HydrophobicContact CH2-CB 3.67Å; W119-K173 HydrophobicContact CH2-CG 4.36Å; W119-K173 HydrophobicContact CZ2-CB 3.49Å; W119-K173 VanDerWaalsContact CZ2-CB 3.49Å; W119-K173 HydrophobicContact CZ2-CD 4.37Å; W119-K173 HydrophobicContact CZ2-CG 3.9Å; W119-K173 HydrophobicContact CZ3-CB 4.39Å; H169-K173 WeakPolarHBondContact O-CB 3.12Å; H169-K173 PolarHBondContact O-N 3.14Å; L170-K173 PolarHBondContact O-N 3.43Å; K171-K173 PolarHBondContact O-N 3.11Å; K173-R175 VanDerWaalsContact C-N 3.29Å; K173-R175 PolarHBondContact O-N 2.94Å; K173-F176 PolarHBondContact O-N 3.27Å; K173-E177 VanDerWaalsContact CE-OE1 3.28Å; K173-E177 WeakPolarHBondContact CE-OE1 3.26Å; K173-E177 WeakPolarHBondContact O-CG 3.38Å; K173-E177 PolarHBondContact O-N 3.42Å
174	K	86.8	Confident	80.2	Confident	87 Å²	87	60.5 Å²	60.5	38%	0.378	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-40.6	176.8	-72.2	177.7	179.8	-178.3	0	111.5	L170 K171 E177 K178 F207	L170-K174 WeakPolarHBondContact O-CG 3.21Å; L170-K174 PolarHBondContact O-N 3.48Å; K171-K174 PolarHBondContact O-N 2.71Å; K171-K174 VanDerWaalsContact O-N 3.16Å; K174-E177 PolarHBondContact O-N 3.28Å; K174-K178 WeakPolarHBondContact O-CB 3.42Å; K174-K178 PolarHBondContact O-N 3.28Å; K174-F207 HydrophobicContact CB-CE2 4.01Å; K174-F207 HydrophobicContact CB-CZ 4.02Å
175	R	88.4	Confident	81.3	Confident	48 Å²	48	61 Å²	61	18%	0.181	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-43.7	177.1	-167.5	-175.2	-69.3	177.8	-2.3	111.1	K171 D172 K173 E177 K178 A179 F195 M204 F207 E211	K171-R175 PolarHBondContact O-N 2.79Å; D172-R175 PolarHBondContact O-N 3.33Å; K173-R175 VanDerWaalsContact C-N 3.29Å; K173-R175 PolarHBondContact O-N 2.94Å; R175-E177 PolarHBondContact O-N 3.42Å; R175-K178 PolarHBondContact O-N 2.95Å; R175-A179 VanDerWaalsContact O-CB 3.32Å; R175-A179 WeakPolarHBondContact O-CB 3.34Å; R175-A179 PolarHBondContact O-N 2.98Å; R175-F195 HydrophobicContact CB-CD2 4.05Å; R175-F195 HydrophobicContact CB-CE2 3.95Å; R175-F195 VanDerWaalsContact CD-O 3.26Å; R175-F195 WeakPolarHBondContact CD-O 2.92Å; R175-F195 HydrophobicContact CG-CD2 3.81Å; R175-F195 HydrophobicContact CG-CE2 4.12Å; R175-M204 HydrophobicContact CG-CE 3.64Å; R175-F207 HydrophobicContact CB-CD1 4.45Å; R175-F207 HydrophobicContact CB-CE1 3.66Å; R175-F207 HydrophobicContact CB-CZ 3.76Å; R175-F207 HydrophobicContact CG-CD1 4.15Å; R175-F207 HydrophobicContact CG-CE1 3.8Å; R175-F207 HydrophobicContact CG-CZ 4.35Å; R175-E211 IonicContact CZ-OE2 2.56Å; R175-E211 IonicContact NH2-OE1 2.68Å; R175-E211 IonicContact NH2-OE2 3.68Å; R175-E211 PolarHBondContact NH2-OE2 3.09Å
176	F	88.8	Confident	82.5	Confident	11 Å²	11	56.9 Å²	56.9	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-59.9	-46.2	176.2	-173.3	-79.3	0	0	0	111.4	V117 W119 D172 K173 K178 A179 N180 L187 F195	V117-F176 WeakPolarHBondContact O-CZ 3.23Å; W119-F176 HydrophobicContact CB-CE1 4.16Å; W119-F176 HydrophobicContact CB-CZ 4.17Å; W119-F176 HydrophobicContact CE3-CB 3.78Å; W119-F176 HydrophobicContact CE3-CD1 4.05Å; W119-F176 AromaticContact CE3-CD2 3.56Å; W119-F176 HydrophobicContact CE3-CD2 3.56Å; W119-F176 HydrophobicContact CE3-CE2 4.08Å; W119-F176 AromaticContact CE3-CG 3.53Å; W119-F176 HydrophobicContact CE3-CG 3.53Å; W119-F176 HydrophobicContact CZ3-CB 3.71Å; W119-F176 AromaticContact CZ3-CD2 3.98Å; W119-F176 HydrophobicContact CZ3-CD2 3.98Å; W119-F176 AromaticContact CZ3-CG 3.95Å; W119-F176 HydrophobicContact CZ3-CG 3.95Å; D172-F176 VanDerWaalsContact O-CB 3.29Å; D172-F176 WeakPolarHBondContact O-CB 3.45Å; D172-F176 PolarHBondContact O-N 3.25Å; K173-F176 PolarHBondContact O-N 3.27Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 2.99Å; F176-A179 PolarHBondContact O-N 2.85Å; F176-N180 WeakPolarHBondContact O-CB 3.49Å; F176-N180 PolarHBondContact O-N 3.34Å; F176-L187 HydrophobicContact CD1-CD2 4.45Å; F176-L187 HydrophobicContact CD1-CG 4.4Å; F176-L187 HydrophobicContact CD2-CD1 3.36Å; F176-L187 HydrophobicContact CD2-CG 3.86Å; F176-L187 HydrophobicContact CE1-CD2 4.34Å; F176-L187 HydrophobicContact CE1-CG 4.06Å; F176-L187 HydrophobicContact CE2-CB 4.48Å; F176-L187 HydrophobicContact CE2-CD1 3.39Å; F176-L187 HydrophobicContact CE2-CD2 4.47Å; F176-L187 HydrophobicContact CE2-CG 3.49Å; F176-L187 VanDerWaalsContact CE2-CG 3.49Å; F176-L187 HydrophobicContact CG-CD1 4.02Å; F176-L187 HydrophobicContact CG-CG 4.31Å; F176-L187 HydrophobicContact CZ-CD1 4.04Å; F176-L187 HydrophobicContact CZ-CD2 4.37Å; F176-L187 HydrophobicContact CZ-CG 3.6Å; F176-F195 HydrophobicContact CB-CD2 4.08Å; F176-F195 HydrophobicContact CB-CE2 3.93Å
177	E	88.8	Confident	83.6	Confident	118 Å²	118	54.6 Å²	54.6	55%	0.551	29%	0.287	S	S	*	.	H	α-helix	trans	-64.7	-35.8	177	-71.9	174.8	-175	0	0	112.7	K173 K174 R175	K173-E177 VanDerWaalsContact CE-OE1 3.28Å; K173-E177 WeakPolarHBondContact CE-OE1 3.26Å; K173-E177 WeakPolarHBondContact O-CG 3.38Å; K173-E177 PolarHBondContact O-N 3.42Å; K174-E177 PolarHBondContact O-N 3.28Å; R175-E177 PolarHBondContact O-N 3.42Å
178	K	89.1	Confident	84.7	Confident	75 Å²	75	52.3 Å²	52.3	33%	0.326	28%	0.277	S	S	.	.	H	α-helix	trans	-73.3	-36.9	176.5	-176.3	73.7	175.3	-165.8	0	112.2	K174 R175 F176 N180 Q181 M204 E206 F207	K174-K178 WeakPolarHBondContact O-CB 3.42Å; K174-K178 PolarHBondContact O-N 3.28Å; R175-K178 PolarHBondContact O-N 2.95Å; F176-K178 VanDerWaalsContact C-N 3.34Å; F176-K178 PolarHBondContact O-N 2.99Å; K178-N180 VanDerWaalsContact C-N 3.34Å; K178-Q181 PolarHBondContact O-NE2 3.23Å; K178-M204 HydrophobicContact CB-CE 4.41Å; K178-M204 HydrophobicContact CB-SD 4.24Å; K178-M204 HydrophobicContact CG-CE 4.34Å; K178-M204 HydrophobicContact CG-SD 3.73Å; K178-E206 IonicContact NZ-OE2 3.62Å; K178-E206 PolarHBondContact NZ-OE2 3.18Å; K178-F207 HydrophobicContact CB-CD2 4.07Å; K178-F207 HydrophobicContact CB-CE2 4.44Å; K178-F207 HydrophobicContact CG-CB 4.23Å; K178-F207 HydrophobicContact CG-CD2 3.97Å; K178-F207 HydrophobicContact CG-CG 4.35Å
179	A	89.4	Confident	85.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.3	-33.9	177	0	0	0	0	0	112	R175 F176 Q181 L187 E191 F195 M204	R175-A179 VanDerWaalsContact O-CB 3.32Å; R175-A179 WeakPolarHBondContact O-CB 3.34Å; R175-A179 PolarHBondContact O-N 2.98Å; F176-A179 PolarHBondContact O-N 2.85Å; A179-Q181 PolarHBondContact O-N 3.38Å; A179-L187 HydrophobicContact CB-CD2 4.12Å; A179-E191 WeakPolarHBondContact O-CG 3.31Å; A179-F195 HydrophobicContact CB-CB 3.84Å; A179-M204 HydrophobicContact CB-CE 4Å; A179-M204 HydrophobicContact CB-SD 4.11Å
180	N	90.3	Very high	86.2	Confident	21 Å²	21	57.1 Å²	57.1	11%	0.112	30%	0.299	C	S	.	.			trans	-70.9	88.4	176	-171.6	-13.8	0	0	0	111.6	F176 K178 D182 S183 G184 L187	F176-N180 WeakPolarHBondContact O-CB 3.49Å; F176-N180 PolarHBondContact O-N 3.34Å; K178-N180 VanDerWaalsContact C-N 3.34Å; N180-D182 PolarHBondContact OD1-OD1 3.35Å; N180-S183 WeakPolarHBondContact OD1-CA 3.39Å; N180-S183 PolarHBondContact OD1-N 3.25Å; N180-G184 PolarHBondContact ND2-O 3.49Å; N180-G184 PolarHBondContact OD1-N 3.02Å; N180-G184 VanDerWaalsContact OD1-N 3.15Å; N180-L187 HydrophobicContact CB-CD2 3.58Å
181	Q	86.9	Confident	86.9	Confident	112 Å²	112	56.4 Å²	56.4	52%	0.523	30%	0.295	S	S	.	.	S	Bend	trans	-77.5	-33.8	-177.3	-71.1	-66.2	-56.8	0	0	111.9	K178 A179 S183 E191 Y203	K178-Q181 PolarHBondContact O-NE2 3.23Å; A179-Q181 PolarHBondContact O-N 3.38Å; Q181-S183 VanDerWaalsContact C-N 3.27Å; Q181-S183 PolarHBondContact O-N 2.98Å; Q181-E191 PolarHBondContact N-OE1 2.9Å; Q181-Y203 HydrophobicContact CG-CD2 4.31Å; Q181-Y203 HydrophobicContact CG-CE1 4.47Å; Q181-Y203 HydrophobicContact CG-CE2 3.78Å
182	D	85.4	Confident	87.4	Confident	108 Å²	108	53.8 Å²	53.8	58%	0.578	28%	0.283	S	S	*	.	S	Bend	trans	-81.9	-7.7	-178.4	80.6	-11	0	0	0	113.5	N180 G184 E191	N180-D182 PolarHBondContact OD1-OD1 3.35Å; D182-G184 PolarHBondContact O-N 2.98Å; D182-G184 WeakPolarHBondContact OD1-CA 3.04Å; D182-G184 PolarHBondContact OD1-N 2.92Å; D182-E191 PolarHBondContact N-OE1 3.15Å
183	S	83.1	Confident	87.5	Confident	104 Å²	104	53.5 Å²	53.5	73%	0.727	28%	0.282	S	S	*	.			trans	55.3	31.2	-174.4	-55.1	0	0	0	0	112.5	N180 Q181	N180-S183 WeakPolarHBondContact OD1-CA 3.39Å; N180-S183 PolarHBondContact OD1-N 3.25Å; Q181-S183 VanDerWaalsContact C-N 3.27Å; Q181-S183 PolarHBondContact O-N 2.98Å
184	G	83.9	Confident	87.7	Confident	20 Å²	20	51.2 Å²	51.2	21%	0.206	27%	0.272	C	S	.	.			trans	-68.6	175.2	174.8	0	0	0	0	0	112.5	N180 D182 G186	N180-G184 PolarHBondContact ND2-O 3.49Å; N180-G184 PolarHBondContact OD1-N 3.02Å; N180-G184 VanDerWaalsContact OD1-N 3.15Å; D182-G184 PolarHBondContact O-N 2.98Å; D182-G184 WeakPolarHBondContact OD1-CA 3.04Å; D182-G184 PolarHBondContact OD1-N 2.92Å; G184-G186 PolarHBondContact O-N 3.12Å
185	P	83.7	Confident	87.8	Confident	117 Å²	117	47.3 Å²	47.3	76%	0.76	26%	0.255	S	S	*	.	S	Bend	trans	-66.9	-12.9	179.3	29.1	-34.8	0	0	0	114
186	G	87.1	Confident	87.6	Confident	2 Å²	2	46.8 Å²	46.8	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	-172.1	176.9	0	0	0	0	0	110.6	T116 V117 G184	T116-G186 VanDerWaalsContact CG2-C 3.47Å; V117-G186 CarbonylContact O-C 3.6Å; V117-G186 VanDerWaalsContact O-CA 3.28Å; V117-G186 WeakPolarHBondContact O-CA 3.44Å; G184-G186 PolarHBondContact O-N 3.12Å
187	L	90.7	Very high	87.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.2	-179.4	-59.4	176.4	0	0	0	110.9	T116 V117 F176 A179 N180 E191 F192 F195	T116-L187 WeakPolarHBondContact CA-O 3.34Å; V117-L187 PolarHBondContact N-O 3.26Å; V117-L187 PolarHBondContact O-N 2.84Å; F176-L187 HydrophobicContact CD1-CD2 4.45Å; F176-L187 HydrophobicContact CD1-CG 4.4Å; F176-L187 HydrophobicContact CD2-CD1 3.36Å; F176-L187 HydrophobicContact CD2-CG 3.86Å; F176-L187 HydrophobicContact CE1-CD2 4.34Å; F176-L187 HydrophobicContact CE1-CG 4.06Å; F176-L187 HydrophobicContact CE2-CB 4.48Å; F176-L187 HydrophobicContact CE2-CD1 3.39Å; F176-L187 HydrophobicContact CE2-CD2 4.47Å; F176-L187 HydrophobicContact CE2-CG 3.49Å; F176-L187 VanDerWaalsContact CE2-CG 3.49Å; F176-L187 HydrophobicContact CG-CD1 4.02Å; F176-L187 HydrophobicContact CG-CG 4.31Å; F176-L187 HydrophobicContact CZ-CD1 4.04Å; F176-L187 HydrophobicContact CZ-CD2 4.37Å; F176-L187 HydrophobicContact CZ-CG 3.6Å; A179-L187 HydrophobicContact CB-CD2 4.12Å; N180-L187 HydrophobicContact CB-CD2 3.58Å; L187-E191 HydrophobicContact CB-CB 4.08Å; L187-E191 HydrophobicContact CD2-CB 3.88Å; L187-F192 HydrophobicContact CB-CB 4.24Å; L187-F192 HydrophobicContact CD1-CD2 4.31Å; L187-F195 HydrophobicContact CD1-CB 3.72Å; L187-F195 HydrophobicContact CD1-CD1 4.34Å; L187-F195 HydrophobicContact CD1-CG 3.94Å
188	S	90.5	Very high	87.1	Confident	35 Å²	35	42.6 Å²	42.6	25%	0.245	24%	0.236	C	C	.	.			trans	-65.9	168.3	161.2	59.9	0	0	0	0	111.1	E190 E191 F192	S188-E190 VanDerWaalsContact C-N 3.3Å; S188-E190 PolarHBondContact O-N 3.46Å; S188-E191 WeakPolarHBondContact CB-OE2 3.27Å; S188-E191 PolarHBondContact N-OE2 3.45Å; S188-E191 PolarHBondContact O-N 3.45Å; S188-E191 VanDerWaalsContact OG-CD 3.24Å; S188-E191 VanDerWaalsContact OG-CG 3.26Å; S188-E191 WeakPolarHBondContact OG-CG 3.47Å; S188-E191 PolarHBondContact OG-OE2 3.11Å; S188-F192 VanDerWaalsContact O-CB 3.3Å; S188-F192 WeakPolarHBondContact O-CB 3.2Å; S188-F192 PolarHBondContact O-N 3.46Å
189	L	86.6	Confident	86.6	Confident	48 Å²	48	42.1 Å²	42.1	25%	0.251	23%	0.234	S	C	.	.	H	α-helix	trans	-57	-42.9	178.6	176	63.3	0	0	0	112.4	K103 F106 F192 I193	K103-L189 HydrophobicContact CB-CD1 4.41Å; K103-L189 HydrophobicContact CG-CD1 3.73Å; K103-L189 HydrophobicContact CG-CD2 3.93Å; K103-L189 HydrophobicContact CG-CG 4.28Å; F106-L189 HydrophobicContact CB-CD1 3.8Å; F106-L189 HydrophobicContact CD1-CD1 4.17Å; F106-L189 HydrophobicContact CD2-CB 4.4Å; F106-L189 HydrophobicContact CD2-CD1 3.82Å; F106-L189 HydrophobicContact CE2-CB 4.17Å; F106-L189 HydrophobicContact CE2-CD1 4.42Å; F106-L189 HydrophobicContact CG-CD1 3.66Å; F106-L189 HydrophobicContact CZ-CB 4.27Å; L189-F192 PolarHBondContact O-N 3.19Å; L189-I193 HydrophobicContact CD1-CD1 4.38Å; L189-I193 HydrophobicContact CG-CD1 4.28Å; L189-I193 VanDerWaalsContact O-CG1 3.31Å; L189-I193 WeakPolarHBondContact O-CG1 3.32Å; L189-I193 PolarHBondContact O-N 2.9Å
190	E	87.4	Confident	86.1	Confident	137 Å²	137	43.5 Å²	43.5	64%	0.64	24%	0.241	S	C	*	.	H	α-helix	trans	-65.4	-38.6	178.4	-66.7	78.8	-173	0	0	112.3	S188 A194	S188-E190 VanDerWaalsContact C-N 3.3Å; S188-E190 PolarHBondContact O-N 3.46Å; E190-A194 PolarHBondContact O-N 2.94Å; E190-A194 VanDerWaalsContact O-N 3.16Å
191	E	90.5	Very high	85.7	Confident	15 Å²	15	44 Å²	44	7%	0.07	25%	0.245	C	C	.	.	H	α-helix	trans	-74.8	-30.5	176.7	-65.2	167.7	138.3	0	0	111.9	A179 Q181 D182 L187 S188 A194 F195	A179-E191 WeakPolarHBondContact O-CG 3.31Å; Q181-E191 PolarHBondContact N-OE1 2.9Å; D182-E191 PolarHBondContact N-OE1 3.15Å; L187-E191 HydrophobicContact CB-CB 4.08Å; L187-E191 HydrophobicContact CD2-CB 3.88Å; S188-E191 WeakPolarHBondContact CB-OE2 3.27Å; S188-E191 PolarHBondContact N-OE2 3.45Å; S188-E191 PolarHBondContact O-N 3.45Å; S188-E191 VanDerWaalsContact OG-CD 3.24Å; S188-E191 VanDerWaalsContact OG-CG 3.26Å; S188-E191 WeakPolarHBondContact OG-CG 3.47Å; S188-E191 PolarHBondContact OG-OE2 3.11Å; E191-A194 PolarHBondContact O-N 3.03Å; E191-F195 WeakPolarHBondContact O-CB 3.15Å; E191-F195 PolarHBondContact O-N 3.04Å
192	F	89.2	Confident	85.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-42.3	173.5	-173.7	-97.9	0	0	0	111.4	Q105 F106 Y109 V117 L187 S188 L189 A194 F195 E196	Q105-F192 HydrophobicContact CB-CE1 4.4Å; F106-F192 HydrophobicContact CB-CD1 4.08Å; F106-F192 HydrophobicContact CB-CE1 4.22Å; F106-F192 HydrophobicContact CD2-CB 3.7Å; F106-F192 AromaticContact CD2-CD1 3.74Å; F106-F192 HydrophobicContact CD2-CD1 3.74Å; F106-F192 HydrophobicContact CD2-CD2 4.3Å; F106-F192 HydrophobicContact CD2-CE1 4.45Å; F106-F192 AromaticContact CD2-CG 3.64Å; F106-F192 HydrophobicContact CD2-CG 3.64Å; F106-F192 HydrophobicContact CE2-CB 3.97Å; F106-F192 HydrophobicContact CE2-CG 4.29Å; F106-F192 HydrophobicContact CG-CD1 4.43Å; Y109-F192 HydrophobicContact CD2-CE1 4.3Å; Y109-F192 HydrophobicContact CD2-CE2 4.15Å; Y109-F192 AromaticContact CD2-CZ 3.47Å; Y109-F192 HydrophobicContact CD2-CZ 3.47Å; Y109-F192 VanDerWaalsContact CD2-CZ 3.47Å; Y109-F192 AromaticContact CE2-CZ 3.84Å; Y109-F192 HydrophobicContact CE2-CZ 3.84Å; Y109-F192 HydrophobicContact CG-CE2 4.37Å; Y109-F192 HydrophobicContact CG-CZ 4.12Å; V117-F192 HydrophobicContact CB-CD2 4.17Å; V117-F192 HydrophobicContact CB-CE2 4.46Å; V117-F192 HydrophobicContact CG1-CD2 4.29Å; V117-F192 HydrophobicContact CG1-CE2 4.15Å; V117-F192 HydrophobicContact CG2-CD2 4.3Å; V117-F192 HydrophobicContact CG2-CE2 4.46Å; L187-F192 HydrophobicContact CB-CB 4.24Å; L187-F192 HydrophobicContact CD1-CD2 4.31Å; S188-F192 VanDerWaalsContact O-CB 3.3Å; S188-F192 WeakPolarHBondContact O-CB 3.2Å; S188-F192 PolarHBondContact O-N 3.46Å; L189-F192 PolarHBondContact O-N 3.19Å; F192-A194 VanDerWaalsContact C-N 3.29Å; F192-A194 PolarHBondContact O-N 3.47Å; F192-F195 HydrophobicContact CD2-CD1 4.49Å; F192-F195 HydrophobicContact CE2-CD1 4.44Å; F192-F195 WeakPolarHBondContact O-CB 3.41Å; F192-F195 PolarHBondContact O-N 2.93Å; F192-F195 VanDerWaalsContact O-N 3.09Å; F192-E196 HydrophobicContact CD1-CG 4.32Å; F192-E196 HydrophobicContact CE1-CG 3.86Å; F192-E196 VanDerWaalsContact CE1-OE1 3.29Å; F192-E196 WeakPolarHBondContact CE1-OE1 3.44Å; F192-E196 VanDerWaalsContact CE1-OE2 3.31Å; F192-E196 WeakPolarHBondContact CE1-OE2 3.44Å; F192-E196 VanDerWaalsContact CZ-CD 3.44Å; F192-E196 HydrophobicContact CZ-CG 3.95Å; F192-E196 WeakPolarHBondContact CZ-OE1 3.38Å; F192-E196 PolarHBondContact O-N 2.95Å
193	I	86.6	Confident	85.6	Confident	18 Å²	18	44.5 Å²	44.5	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-43.3	171.3	-67.3	164.4	0	0	0	110.3	M99 A102 L189 F195 E196 H197	M99-I193 HydrophobicContact CG-CD1 4.44Å; M99-I193 HydrophobicContact CG-CG2 4.22Å; A102-I193 HydrophobicContact CB-CG1 3.77Å; L189-I193 HydrophobicContact CD1-CD1 4.38Å; L189-I193 HydrophobicContact CG-CD1 4.28Å; L189-I193 VanDerWaalsContact O-CG1 3.31Å; L189-I193 WeakPolarHBondContact O-CG1 3.32Å; L189-I193 PolarHBondContact O-N 2.9Å; I193-F195 PolarHBondContact O-N 3.29Å; I193-E196 PolarHBondContact O-N 3.4Å; I193-H197 WeakPolarHBondContact O-CA 3.47Å; I193-H197 PolarHBondContact O-N 2.98Å
194	A	87.9	Confident	85.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-25.1	177.2	0	0	0	0	0	113.4	E190 E191 F192 P198 V201 Y203 M204	E190-A194 PolarHBondContact O-N 2.94Å; E190-A194 VanDerWaalsContact O-N 3.16Å; E191-A194 PolarHBondContact O-N 3.03Å; F192-A194 VanDerWaalsContact C-N 3.29Å; F192-A194 PolarHBondContact O-N 3.47Å; A194-P198 WeakPolarHBondContact O-CA 3.23Å; A194-P198 WeakPolarHBondContact O-CB 3.35Å; A194-V201 HydrophobicContact CB-CB 4.15Å; A194-V201 HydrophobicContact CB-CG1 4.18Å; A194-V201 HydrophobicContact CB-CG2 3.8Å; A194-Y203 WeakPolarHBondContact CB-OH 3.42Å; A194-M204 HydrophobicContact CB-CG 4.07Å
195	F	89.3	Confident	85.8	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-77.5	-42.7	174.9	167.6	-101.2	0	0	0	112.4	Y122 D172 R175 F176 A179 L187 E191 F192 I193	Y122-F195 HydrophobicContact CD2-CE1 4.15Å; Y122-F195 HydrophobicContact CE1-CE1 4.43Å; Y122-F195 HydrophobicContact CE1-CZ 4.08Å; Y122-F195 AromaticContact CE2-CE1 3.52Å; Y122-F195 HydrophobicContact CE2-CE1 3.52Å; Y122-F195 HydrophobicContact CE2-CZ 4.01Å; Y122-F195 AromaticContact CZ-CE1 3.68Å; Y122-F195 AromaticContact CZ-CZ 3.66Å; D172-F195 HydrophobicContact CB-CZ 4.44Å; D172-F195 WeakPolarHBondContact O-CE2 3.39Å; R175-F195 HydrophobicContact CB-CD2 4.05Å; R175-F195 HydrophobicContact CB-CE2 3.95Å; R175-F195 VanDerWaalsContact CD-O 3.26Å; R175-F195 WeakPolarHBondContact CD-O 2.92Å; R175-F195 HydrophobicContact CG-CD2 3.81Å; R175-F195 HydrophobicContact CG-CE2 4.12Å; F176-F195 HydrophobicContact CB-CD2 4.08Å; F176-F195 HydrophobicContact CB-CE2 3.93Å; A179-F195 HydrophobicContact CB-CB 3.84Å; L187-F195 HydrophobicContact CD1-CB 3.72Å; L187-F195 HydrophobicContact CD1-CD1 4.34Å; L187-F195 HydrophobicContact CD1-CG 3.94Å; E191-F195 WeakPolarHBondContact O-CB 3.15Å; E191-F195 PolarHBondContact O-N 3.04Å; F192-F195 HydrophobicContact CD2-CD1 4.49Å; F192-F195 HydrophobicContact CE2-CD1 4.44Å; F192-F195 WeakPolarHBondContact O-CB 3.41Å; F192-F195 PolarHBondContact O-N 2.93Å; F192-F195 VanDerWaalsContact O-N 3.09Å; I193-F195 PolarHBondContact O-N 3.29Å
196	E	84.6	Confident	85.9	Confident	37 Å²	37	40.1 Å²	40.1	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-77.4	-40.6	179.2	-68.1	-163	146.9	0	0	112.8	A102 Q105 F192 I193 P198	A102-E196 VanDerWaalsContact CA-OE2 3.29Å; A102-E196 WeakPolarHBondContact CA-OE2 3.37Å; A102-E196 VanDerWaalsContact CB-OE2 3.31Å; A102-E196 WeakPolarHBondContact CB-OE2 3.5Å; Q105-E196 PolarHBondContact OE1-OE1 3.2Å; Q105-E196 VanDerWaalsContact OE1-OE1 3.08Å; F192-E196 HydrophobicContact CD1-CG 4.32Å; F192-E196 HydrophobicContact CE1-CG 3.86Å; F192-E196 VanDerWaalsContact CE1-OE1 3.29Å; F192-E196 WeakPolarHBondContact CE1-OE1 3.44Å; F192-E196 VanDerWaalsContact CE1-OE2 3.31Å; F192-E196 WeakPolarHBondContact CE1-OE2 3.44Å; F192-E196 VanDerWaalsContact CZ-CD 3.44Å; F192-E196 HydrophobicContact CZ-CG 3.95Å; F192-E196 WeakPolarHBondContact CZ-OE1 3.38Å; F192-E196 PolarHBondContact O-N 2.95Å; I193-E196 PolarHBondContact O-N 3.4Å; E196-P198 VanDerWaalsContact O-CD 3.28Å; E196-P198 WeakPolarHBondContact O-CD 3.06Å
197	H	82.5	Confident	85.8	Confident	37 Å²	37	41.4 Å²	41.4	17%	0.171	20%	0.204	C	C	.	.			trans	-120.7	66	-179.6	-63.2	-69.1	0	0	0	110.9	I193 E199 E200	I193-H197 WeakPolarHBondContact O-CA 3.47Å; I193-H197 PolarHBondContact O-N 2.98Å; H197-E199 WeakPolarHBondContact CA-OE2 3.47Å; H197-E199 IonicContact CG-OE1 2.67Å; H197-E199 IonicContact ND1-OE1 3.79Å; H197-E199 PolarHBondContact ND1-OE1 3.17Å; H197-E199 VanDerWaalsContact ND1-OE1 3.08Å; H197-E199 PolarHBondContact O-N 2.98Å; H197-E199 VanDerWaalsContact O-N 3.15Å; H197-E200 HydrophobicContact CB-CB 4.25Å; H197-E200 HydrophobicContact CB-CG 4.01Å; H197-E200 PolarHBondContact O-N 3.12Å
198	P	84.5	Confident	85.6	Confident	5 Å²	5	42 Å²	42	3%	0.032	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-62.3	-20.8	-179.4	29.2	-37.8	0	0	0	113.1	A194 E196 E200 V201 M204 V208	A194-P198 WeakPolarHBondContact O-CA 3.23Å; A194-P198 WeakPolarHBondContact O-CB 3.35Å; E196-P198 VanDerWaalsContact O-CD 3.28Å; E196-P198 WeakPolarHBondContact O-CD 3.06Å; P198-E200 VanDerWaalsContact C-N 3.27Å; P198-E200 PolarHBondContact O-N 3.31Å; P198-V201 PolarHBondContact O-N 3.47Å; P198-M204 HydrophobicContact CB-CB 3.7Å; P198-M204 HydrophobicContact CB-CE 4.2Å; P198-M204 HydrophobicContact CB-CG 4.43Å; P198-M204 WeakPolarHBondContact O-CB 3.3Å; P198-V208 HydrophobicContact CB-CG2 3.56Å; P198-V208 HydrophobicContact CG-CG2 3.64Å
199	E	78.6	Confident	85.4	Confident	64 Å²	64	41.2 Å²	41.2	30%	0.299	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.8	-24.6	172.9	65.5	-79.4	-177.7	0	0	113.9	H197 V201 V275	H197-E199 WeakPolarHBondContact CA-OE2 3.47Å; H197-E199 IonicContact CG-OE1 2.67Å; H197-E199 IonicContact ND1-OE1 3.79Å; H197-E199 PolarHBondContact ND1-OE1 3.17Å; H197-E199 VanDerWaalsContact ND1-OE1 3.08Å; H197-E199 PolarHBondContact O-N 2.98Å; H197-E199 VanDerWaalsContact O-N 3.15Å; E199-V201 VanDerWaalsContact C-N 3.31Å; E199-V275 HydrophobicContact CB-CG1 4Å; E199-V275 HydrophobicContact CB-CG2 4.1Å
200	E	78.2	Confident	85.3	Confident	30 Å²	30	43.7 Å²	43.7	14%	0.14	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-84.2	-8.7	-178.5	-70.9	-60.5	157.8	0	0	113.1	K95 H197 P198 N278	K95-E200 WeakPolarHBondContact CD-OE2 3.45Å; K95-E200 VanDerWaalsContact CE-OE2 3.28Å; K95-E200 WeakPolarHBondContact CE-OE2 3.48Å; K95-E200 VanDerWaalsContact CG-OE2 3.3Å; K95-E200 WeakPolarHBondContact CG-OE2 3.27Å; K95-E200 IonicContact NZ-OE2 3.08Å; K95-E200 PolarHBondContact NZ-OE2 3.3Å; H197-E200 HydrophobicContact CB-CB 4.25Å; H197-E200 HydrophobicContact CB-CG 4.01Å; H197-E200 PolarHBondContact O-N 3.12Å; P198-E200 VanDerWaalsContact C-N 3.27Å; P198-E200 PolarHBondContact O-N 3.31Å; E200-N278 PolarHBondContact OE1-ND2 3.36Å
201	V	82.8	Confident	85.1	Confident	31 Å²	31	38.8 Å²	38.8	19%	0.188	19%	0.188	C	C	.	.	S	Bend	trans	-129.6	115.1	-168.6	-173	0	0	0	0	111.9	A194 P198 E199 Y203 M204 T205	A194-V201 HydrophobicContact CB-CB 4.15Å; A194-V201 HydrophobicContact CB-CG1 4.18Å; A194-V201 HydrophobicContact CB-CG2 3.8Å; P198-V201 PolarHBondContact O-N 3.47Å; E199-V201 VanDerWaalsContact C-N 3.31Å; V201-Y203 VanDerWaalsContact C-N 3.26Å; V201-Y203 HydrophobicContact CB-CE1 4.44Å; V201-Y203 HydrophobicContact CG1-CD1 3.28Å; V201-Y203 HydrophobicContact CG1-CE1 3.06Å; V201-Y203 HydrophobicContact CG1-CG 4.13Å; V201-Y203 PolarHBondContact O-N 3.31Å; V201-M204 PolarHBondContact O-N 3.04Å; V201-T205 PolarHBondContact O-N 2.86Å; V201-T205 PolarHBondContact O-OG1 3.18Å
202	D	83.9	Confident	84.8	Confident	150 Å²	150	38.4 Å²	38.4	80%	0.802	19%	0.188	S	C	*	.	H	α-helix	trans	-51.5	-36.9	-172.9	-64.4	-15.3	0	0	0	115	M204 T205	D202-M204 VanDerWaalsContact C-N 3.31Å; D202-M204 PolarHBondContact O-N 3.08Å; D202-T205 WeakPolarHBondContact CA-OG1 3.28Å; D202-T205 WeakPolarHBondContact O-CB 3.22Å; D202-T205 PolarHBondContact O-N 3.09Å; D202-T205 PolarHBondContact O-OG1 3.5Å
203	Y	86.8	Confident	84.7	Confident	81 Å²	81	39.7 Å²	39.7	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-77.5	-17.7	-177.6	73	-100.1	0	0	0	113.5	Q181 A194 V201	Q181-Y203 HydrophobicContact CG-CD2 4.31Å; Q181-Y203 HydrophobicContact CG-CE1 4.47Å; Q181-Y203 HydrophobicContact CG-CE2 3.78Å; A194-Y203 WeakPolarHBondContact CB-OH 3.42Å; V201-Y203 VanDerWaalsContact C-N 3.26Å; V201-Y203 HydrophobicContact CB-CE1 4.44Å; V201-Y203 HydrophobicContact CG1-CD1 3.28Å; V201-Y203 HydrophobicContact CG1-CE1 3.06Å; V201-Y203 HydrophobicContact CG1-CG 4.13Å; V201-Y203 PolarHBondContact O-N 3.31Å
204	M	87.4	Confident	84.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-91.4	-18.4	174.7	-70	-61.1	-71.9	0	0	112.1	R175 K178 A179 A194 P198 V201 D202 E206 F207 V208	R175-M204 HydrophobicContact CG-CE 3.64Å; K178-M204 HydrophobicContact CB-CE 4.41Å; K178-M204 HydrophobicContact CB-SD 4.24Å; K178-M204 HydrophobicContact CG-CE 4.34Å; K178-M204 HydrophobicContact CG-SD 3.73Å; A179-M204 HydrophobicContact CB-CE 4Å; A179-M204 HydrophobicContact CB-SD 4.11Å; A194-M204 HydrophobicContact CB-CG 4.07Å; P198-M204 HydrophobicContact CB-CB 3.7Å; P198-M204 HydrophobicContact CB-CE 4.2Å; P198-M204 HydrophobicContact CB-CG 4.43Å; P198-M204 WeakPolarHBondContact O-CB 3.3Å; V201-M204 PolarHBondContact O-N 3.04Å; D202-M204 VanDerWaalsContact C-N 3.31Å; D202-M204 PolarHBondContact O-N 3.08Å; M204-E206 VanDerWaalsContact C-N 3.27Å; M204-E206 PolarHBondContact O-N 3.3Å; M204-F207 WeakPolarHBondContact O-CA 3.3Å; M204-F207 VanDerWaalsContact O-CB 3.27Å; M204-F207 WeakPolarHBondContact O-CB 3.36Å; M204-F207 PolarHBondContact O-N 3.42Å; M204-V208 PolarHBondContact O-N 2.98Å; M204-V208 VanDerWaalsContact O-N 3.12Å
205	T	84.2	Confident	84.3	Confident	21 Å²	21	48.5 Å²	48.5	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-54.7	-40.2	177.3	-50.9	0	0	0	0	113	V201 D202 F207 V208 I209 L271	V201-T205 PolarHBondContact O-N 2.86Å; V201-T205 PolarHBondContact O-OG1 3.18Å; D202-T205 WeakPolarHBondContact CA-OG1 3.28Å; D202-T205 WeakPolarHBondContact O-CB 3.22Å; D202-T205 PolarHBondContact O-N 3.09Å; D202-T205 PolarHBondContact O-OG1 3.5Å; T205-F207 VanDerWaalsContact C-N 3.27Å; T205-F207 PolarHBondContact O-N 2.99Å; T205-V208 PolarHBondContact O-N 3.04Å; T205-I209 HydrophobicContact CG2-CD1 4.14Å; T205-I209 WeakPolarHBondContact O-CG1 3.38Å; T205-I209 PolarHBondContact O-N 3.48Å; T205-L271 HydrophobicContact CG2-CD1 3.16Å; T205-L271 HydrophobicContact CG2-CD2 4.37Å; T205-L271 HydrophobicContact CG2-CG 4.39Å
206	E	84.3	Confident	83.9	Confident	128 Å²	128	50.8 Å²	50.8	60%	0.598	25%	0.246	S	C	*	.	H	α-helix	trans	-60.2	-37.6	175.3	-175.1	-175.3	-148	0	0	112	K178 M204 Q210	K178-E206 IonicContact NZ-OE2 3.62Å; K178-E206 PolarHBondContact NZ-OE2 3.18Å; M204-E206 VanDerWaalsContact C-N 3.27Å; M204-E206 PolarHBondContact O-N 3.3Å; E206-Q210 WeakPolarHBondContact O-CB 3.48Å; E206-Q210 PolarHBondContact O-N 3.24Å
207	F	86.2	Confident	84	Confident	28 Å²	28	50.1 Å²	50.1	12%	0.123	24%	0.244	C	C	.	.	H	α-helix	trans	-68	-42.1	177.8	-176.7	-86.1	0	0	0	111.4	K174 R175 K178 M204 T205 I209 Q210 E211	K174-F207 HydrophobicContact CB-CE2 4.01Å; K174-F207 HydrophobicContact CB-CZ 4.02Å; R175-F207 HydrophobicContact CB-CD1 4.45Å; R175-F207 HydrophobicContact CB-CE1 3.66Å; R175-F207 HydrophobicContact CB-CZ 3.76Å; R175-F207 HydrophobicContact CG-CD1 4.15Å; R175-F207 HydrophobicContact CG-CE1 3.8Å; R175-F207 HydrophobicContact CG-CZ 4.35Å; K178-F207 HydrophobicContact CB-CD2 4.07Å; K178-F207 HydrophobicContact CB-CE2 4.44Å; K178-F207 HydrophobicContact CG-CB 4.23Å; K178-F207 HydrophobicContact CG-CD2 3.97Å; K178-F207 HydrophobicContact CG-CG 4.35Å; M204-F207 WeakPolarHBondContact O-CA 3.3Å; M204-F207 VanDerWaalsContact O-CB 3.27Å; M204-F207 WeakPolarHBondContact O-CB 3.36Å; M204-F207 PolarHBondContact O-N 3.42Å; T205-F207 VanDerWaalsContact C-N 3.27Å; T205-F207 PolarHBondContact O-N 2.99Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.38Å; F207-Q210 PolarHBondContact O-N 3.06Å; F207-E211 WeakPolarHBondContact O-CB 3.18Å; F207-E211 PolarHBondContact O-N 3.47Å
208	V	85.5	Confident	84.1	Confident	12 Å²	12	56 Å²	56	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-42.7	177.2	172.9	0	0	0	0	111.2	P198 M204 T205 E211 A212 V274 V275	P198-V208 HydrophobicContact CB-CG2 3.56Å; P198-V208 HydrophobicContact CG-CG2 3.64Å; M204-V208 PolarHBondContact O-N 2.98Å; M204-V208 VanDerWaalsContact O-N 3.12Å; T205-V208 PolarHBondContact O-N 3.04Å; V208-E211 PolarHBondContact O-N 3.49Å; V208-A212 PolarHBondContact O-N 2.98Å; V208-V274 HydrophobicContact CG1-CB 4.08Å; V208-V274 HydrophobicContact CG1-CG1 3.24Å; V208-V275 HydrophobicContact CG1-CG2 4.35Å
209	I	85.7	Confident	84.1	Confident	20 Å²	20	60.1 Å²	60.1	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-45.8	174.4	-66.3	160	0	0	0	110.8	T205 F207 E211 A212 L213 P267 L270 L271	T205-I209 HydrophobicContact CG2-CD1 4.14Å; T205-I209 WeakPolarHBondContact O-CG1 3.38Å; T205-I209 PolarHBondContact O-N 3.48Å; F207-I209 VanDerWaalsContact C-N 3.34Å; F207-I209 PolarHBondContact O-N 3.38Å; I209-E211 VanDerWaalsContact C-N 3.3Å; I209-E211 PolarHBondContact O-N 2.91Å; I209-A212 PolarHBondContact O-N 3.39Å; I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.49Å; I209-L213 WeakPolarHBondContact O-CG 3.5Å; I209-L213 PolarHBondContact O-N 3.22Å; I209-P267 WeakPolarHBondContact CD1-O 3.47Å; I209-P267 HydrophobicContact CG2-CB 3.76Å; I209-L270 HydrophobicContact CG2-CD2 4.17Å; I209-L271 HydrophobicContact CD1-CB 4.4Å; I209-L271 HydrophobicContact CD1-CD1 4.16Å; I209-L271 HydrophobicContact CG1-CD1 4.35Å
210	Q	85.2	Confident	84.5	Confident	99 Å²	99	60 Å²	60	46%	0.463	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-40.1	178.4	-174.6	-177.7	-21.5	0	0	111.7	E206 F207 L213 E214	E206-Q210 WeakPolarHBondContact O-CB 3.48Å; E206-Q210 PolarHBondContact O-N 3.24Å; F207-Q210 PolarHBondContact O-N 3.06Å; Q210-L213 WeakPolarHBondContact O-CB 3.11Å; Q210-L213 PolarHBondContact O-N 2.83Å; Q210-E214 PolarHBondContact NE2-OE1 2.86Å; Q210-E214 WeakPolarHBondContact O-CG 3.35Å; Q210-E214 PolarHBondContact O-N 3.34Å
211	E	84.3	Confident	84.9	Confident	35 Å²	35	62.3 Å²	62.3	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-46.2	176.1	-179	168.3	-144.6	0	0	111.4	K171 R175 F207 V208 I209 L213 E214 E215	K171-E211 IonicContact NZ-OE1 3.73Å; R175-E211 IonicContact CZ-OE2 2.56Å; R175-E211 IonicContact NH2-OE1 2.68Å; R175-E211 IonicContact NH2-OE2 3.68Å; R175-E211 PolarHBondContact NH2-OE2 3.09Å; F207-E211 WeakPolarHBondContact O-CB 3.18Å; F207-E211 PolarHBondContact O-N 3.47Å; V208-E211 PolarHBondContact O-N 3.49Å; I209-E211 VanDerWaalsContact C-N 3.3Å; I209-E211 PolarHBondContact O-N 2.91Å; E211-L213 VanDerWaalsContact C-N 3.31Å; E211-L213 PolarHBondContact O-N 3.03Å; E211-E214 PolarHBondContact O-N 2.62Å; E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.95Å; E211-E215 VanDerWaalsContact O-N 3.08Å
212	A	84.4	Confident	85.1	Confident	7 Å²	7	62.3 Å²	62.3	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-39.7	175.4	0	0	0	0	0	112.1	V208 I209 E215 H216 L270 V274	V208-A212 PolarHBondContact O-N 2.98Å; I209-A212 PolarHBondContact O-N 3.39Å; A212-E215 PolarHBondContact O-N 2.94Å; A212-H216 WeakPolarHBondContact O-CB 3.11Å; A212-H216 PolarHBondContact O-CD2 3.06Å; A212-H216 VanDerWaalsContact O-CD2 3.28Å; A212-H216 PolarHBondContact O-N 3.06Å; A212-L270 HydrophobicContact CB-CD2 3.82Å; A212-V274 HydrophobicContact CB-CB 4.39Å; A212-V274 HydrophobicContact CB-CG1 4.01Å; A212-V274 HydrophobicContact CB-CG2 3.38Å
213	L	86.1	Confident	85.3	Confident	26 Å²	26	58.1 Å²	58.1	14%	0.136	30%	0.301	C	S	.	.	H	α-helix	trans	-62.5	-47.6	173.6	-70.6	170.5	0	0	0	111.4	I209 Q210 E211 E215 H216 D217 V224 P267 L270	I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.49Å; I209-L213 WeakPolarHBondContact O-CG 3.5Å; I209-L213 PolarHBondContact O-N 3.22Å; Q210-L213 WeakPolarHBondContact O-CB 3.11Å; Q210-L213 PolarHBondContact O-N 2.83Å; E211-L213 VanDerWaalsContact C-N 3.31Å; E211-L213 PolarHBondContact O-N 3.03Å; L213-E215 PolarHBondContact O-N 3.13Å; L213-H216 PolarHBondContact O-N 3.12Å; L213-D217 WeakPolarHBondContact O-CA 3.42Å; L213-D217 WeakPolarHBondContact O-CB 3.21Å; L213-D217 PolarHBondContact O-N 3.43Å; L213-V224 HydrophobicContact CD2-CG2 3.81Å; L213-P267 HydrophobicContact CD1-CG 4.34Å; L213-L270 HydrophobicContact CD2-CD2 3.93Å; L213-L270 HydrophobicContact CG-CD2 3.93Å
214	E	83.4	Confident	85.4	Confident	115 Å²	115	54.2 Å²	54.2	54%	0.537	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-28.3	178.9	-73.3	178.5	-167.3	0	0	112.9	Q210 E211	Q210-E214 PolarHBondContact NE2-OE1 2.86Å; Q210-E214 WeakPolarHBondContact O-CG 3.35Å; Q210-E214 PolarHBondContact O-N 3.34Å; E211-E214 PolarHBondContact O-N 2.62Å
215	E	82.1	Confident	85.4	Confident	88 Å²	88	55.3 Å²	55.3	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-81.6	-41.5	176.6	-70.6	-168.2	164.6	0	0	113.5	K171 E211 A212 L213 K218	K171-E215 IonicContact NZ-OE1 3.43Å; K171-E215 PolarHBondContact NZ-OE1 2.93Å; E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.95Å; E211-E215 VanDerWaalsContact O-N 3.08Å; A212-E215 PolarHBondContact O-N 2.94Å; L213-E215 PolarHBondContact O-N 3.13Å; E215-K218 PolarHBondContact O-NZ 3.37Å
216	H	81.7	Confident	85.5	Confident	52 Å²	52	56.6 Å²	56.6	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-103	-34.4	-168.7	-69.9	-86.9	0	0	0	114.2	A212 L213 K218 V224 E228 W273	A212-H216 WeakPolarHBondContact O-CB 3.11Å; A212-H216 PolarHBondContact O-CD2 3.06Å; A212-H216 VanDerWaalsContact O-CD2 3.28Å; A212-H216 PolarHBondContact O-N 3.06Å; L213-H216 PolarHBondContact O-N 3.12Å; H216-K218 PolarHBondContact O-N 3Å; H216-V224 HydrophobicContact CB-CG1 4.27Å; H216-V224 HydrophobicContact CB-CG2 4.19Å; H216-E228 WeakPolarHBondContact O-CB 2.98Å; H216-E228 WeakPolarHBondContact O-CG 3.25Å; H216-W273 HydrophobicContact CB-CH2 4.3Å; H216-W273 AromaticContact CD2-CH2 3.51Å; H216-W273 AromaticContact CE1-CH2 3.6Å; H216-W273 AromaticContact CE1-CZ2 3.99Å; H216-W273 AromaticContact CG-CH2 3.57Å; H216-W273 AromaticContact ND1-CH2 3.63Å; H216-W273 AromaticContact NE2-CH2 3.54Å
217	D	86.8	Confident	85.4	Confident	24 Å²	24	57.9 Å²	57.9	13%	0.128	31%	0.305	C	S	.	.			trans	-71.9	95.5	175.4	179.8	8.8	0	0	0	110	L213 N219 G220 D221 G222	L213-D217 WeakPolarHBondContact O-CA 3.42Å; L213-D217 WeakPolarHBondContact O-CB 3.21Å; L213-D217 PolarHBondContact O-N 3.43Å; D217-N219 PolarHBondContact OD1-N 3.26Å; D217-N219 VanDerWaalsContact OD1-N 3.14Å; D217-G220 WeakPolarHBondContact OD1-CA 3.4Å; D217-G220 PolarHBondContact OD1-N 2.88Å; D217-G220 VanDerWaalsContact OD2-C 3.27Å; D217-G220 WeakPolarHBondContact OD2-CA 3.45Å; D217-G220 PolarHBondContact OD2-N 3.06Å; D217-D221 PolarHBondContact OD1-N 3.09Å; D217-D221 PolarHBondContact OD2-N 3.35Å; D217-D221 VanDerWaalsContact OD2-N 3.14Å; D217-G222 WeakPolarHBondContact OD2-CA 3.29Å; D217-G222 PolarHBondContact OD2-N 3.49Å
218	K	84.4	Confident	85.4	Confident	160 Å²	160	57.4 Å²	57.4	70%	0.696	30%	0.303	S	S	*	.	S	Bend	trans	-81.7	-23.9	179.5	-62.2	-50.4	-174.3	-158.9	0	111.7	E215 H216 E228	E215-K218 PolarHBondContact O-NZ 3.37Å; H216-K218 PolarHBondContact O-N 3Å; K218-E228 HydrophobicContact CB-CG 4.45Å; K218-E228 HydrophobicContact CG-CG 4.39Å; K218-E228 PolarHBondContact N-OE1 3.37Å
219	N	84.8	Confident	85.2	Confident	91 Å²	91	57.7 Å²	57.7	49%	0.487	30%	0.304	S	S	.	.	S	Bend	trans	-96.2	-15.5	-170.5	83.7	64.2	0	0	0	112.4	D217 D221 E228	D217-N219 PolarHBondContact OD1-N 3.26Å; D217-N219 VanDerWaalsContact OD1-N 3.14Å; N219-D221 PolarHBondContact ND2-OD1 2.71Å; N219-D221 WeakPolarHBondContact OD1-CB 3.32Å; N219-D221 PolarHBondContact OD1-N 3.08Å; N219-D221 PolarHBondContact OD1-OD1 3.23Å; N219-D221 PolarHBondContact OD1-OD2 3.25Å; N219-E228 PolarHBondContact N-OE1 2.95Å; N219-E228 PolarHBondContact ND2-OE1 3.28Å; N219-E228 PolarHBondContact ND2-OE2 3.17Å
220	G	86.4	Confident	84.9	Confident	63 Å²	63	58.3 Å²	58.3	65%	0.649	31%	0.307	S	S	*	.			trans	75.6	24.9	175.4	0	0	0	0	0	113.8	D217 G222	D217-G220 WeakPolarHBondContact OD1-CA 3.4Å; D217-G220 PolarHBondContact OD1-N 2.88Å; D217-G220 VanDerWaalsContact OD2-C 3.27Å; D217-G220 WeakPolarHBondContact OD2-CA 3.45Å; D217-G220 PolarHBondContact OD2-N 3.06Å; G220-G222 VanDerWaalsContact C-N 3.35Å
221	D	87.3	Confident	84.5	Confident	78 Å²	78	55.6 Å²	55.6	42%	0.417	31%	0.305	S	S	.	.	S	Bend	trans	-86.9	-5.4	178.6	70.2	-4	0	0	0	113.8	D217 N219 F223	D217-D221 PolarHBondContact OD1-N 3.09Å; D217-D221 PolarHBondContact OD2-N 3.35Å; D217-D221 VanDerWaalsContact OD2-N 3.14Å; N219-D221 PolarHBondContact ND2-OD1 2.71Å; N219-D221 WeakPolarHBondContact OD1-CB 3.32Å; N219-D221 PolarHBondContact OD1-N 3.08Å; N219-D221 PolarHBondContact OD1-OD1 3.23Å; N219-D221 PolarHBondContact OD1-OD2 3.25Å; D221-F223 VanDerWaalsContact C-N 3.35Å; D221-F223 VanDerWaalsContact O-CD2 3.23Å; D221-F223 WeakPolarHBondContact O-CD2 3.41Å; D221-F223 WeakPolarHBondContact O-CE2 3.34Å; D221-F223 PolarHBondContact OD1-N 3.03Å; D221-F223 VanDerWaalsContact OD1-N 3.08Å
222	G	86	Confident	83.4	Confident	31 Å²	31	61.1 Å²	61.1	32%	0.32	34%	0.336	S	S	.	.	S	Bend	trans	81.2	13.8	179.4	0	0	0	0	0	113.8	D217 G220	D217-G222 WeakPolarHBondContact OD2-CA 3.29Å; D217-G222 PolarHBondContact OD2-N 3.49Å; G220-G222 VanDerWaalsContact C-N 3.35Å
223	F	88.9	Confident	82.5	Confident	61 Å²	61	64.4 Å²	64.4	27%	0.268	35%	0.347	S	S	.	.	S	Bend	trans	-128.2	160.6	176.3	-60	-90.7	0	0	0	110.1	D221 R264 L265 D266	D221-F223 VanDerWaalsContact C-N 3.35Å; D221-F223 VanDerWaalsContact O-CD2 3.23Å; D221-F223 WeakPolarHBondContact O-CD2 3.41Å; D221-F223 WeakPolarHBondContact O-CE2 3.34Å; D221-F223 PolarHBondContact OD1-N 3.03Å; D221-F223 VanDerWaalsContact OD1-N 3.08Å; F223-R264 HydrophobicContact CB-CB 4.1Å; F223-R264 HydrophobicContact CB-CG 4.35Å; F223-R264 HydrophobicContact CD1-CG 4.25Å; F223-R264 HydrophobicContact CG-CG 4.42Å; F223-L265 WeakPolarHBondContact CA-O 3.28Å; F223-D266 HydrophobicContact CD1-CB 4Å; F223-D266 HydrophobicContact CE1-CB 3.82Å
224	V	88.1	Confident	81.1	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	108.1	171.3	-176.6	0	0	0	0	109	L213 H216 E228 F229 R264 L265 L270	L213-V224 HydrophobicContact CD2-CG2 3.81Å; H216-V224 HydrophobicContact CB-CG1 4.27Å; H216-V224 HydrophobicContact CB-CG2 4.19Å; V224-E228 HydrophobicContact CG1-CB 3.93Å; V224-F229 HydrophobicContact CG1-CB 4.06Å; V224-R264 WeakPolarHBondContact O-CA 3.48Å; V224-L265 HydrophobicContact CB-CB 4.33Å; V224-L265 PolarHBondContact N-O 2.81Å; V224-L265 VanDerWaalsContact N-O 3.1Å; V224-L265 PolarHBondContact O-N 3.07Å; V224-L270 HydrophobicContact CB-CD1 4.05Å; V224-L270 HydrophobicContact CG2-CD1 3.68Å; V224-L270 HydrophobicContact CG2-CD2 4.25Å
225	S	88.3	Confident	79.8	Confident	23 Å²	23	74.3 Å²	74.3	16%	0.161	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	161.6	172.6	63	0	0	0	0	111.7	E227 E228 F229	S225-E227 PolarHBondContact O-N 3.17Å; S225-E228 WeakPolarHBondContact CB-OE2 3.22Å; S225-E228 PolarHBondContact N-OE2 3.37Å; S225-E228 PolarHBondContact O-N 2.89Å; S225-E228 VanDerWaalsContact OG-CD 3.28Å; S225-E228 WeakPolarHBondContact OG-CG 3.39Å; S225-E228 PolarHBondContact OG-N 3.08Å; S225-E228 PolarHBondContact OG-OE2 3Å; S225-F229 WeakPolarHBondContact O-CB 3.28Å; S225-F229 PolarHBondContact O-N 2.74Å
226	L	85.1	Confident	78.7	Confident	48 Å²	48	73.8 Å²	73.8	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-55.8	-35	174.3	-179.8	65	0	0	0	112.5	F229 L230 K250 F253	L226-F229 HydrophobicContact CD1-CD1 4.39Å; L226-L230 HydrophobicContact CD1-CD1 4.28Å; L226-L230 HydrophobicContact CD1-CG 4.35Å; L226-L230 HydrophobicContact CG-CD1 4.17Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 3.45Å; L226-K250 HydrophobicContact CD1-CG 4.13Å; L226-K250 HydrophobicContact CD2-CG 4.25Å; L226-F253 HydrophobicContact CB-CD1 4.49Å; L226-F253 HydrophobicContact CB-CE1 4.2Å; L226-F253 HydrophobicContact CB-CE2 4.47Å; L226-F253 HydrophobicContact CB-CZ 4.18Å; L226-F253 HydrophobicContact CD1-CB 3.87Å; L226-F253 HydrophobicContact CD1-CD1 3.87Å; L226-F253 HydrophobicContact CD1-CD2 3.95Å; L226-F253 HydrophobicContact CD1-CE1 4.4Å; L226-F253 HydrophobicContact CD1-CE2 4.43Å; L226-F253 HydrophobicContact CD1-CG 3.62Å
227	E	83.3	Confident	77.6	Confident	155 Å²	155	76.7 Å²	76.7	72%	0.724	40%	0.402	S	S	*	.	H	α-helix	trans	-67.8	-38.4	176.9	-70.8	115.8	-176.1	0	0	112.3	S225 G231	S225-E227 PolarHBondContact O-N 3.17Å; E227-G231 PolarHBondContact O-N 3.09Å
228	E	85.1	Confident	76.4	Confident	18 Å²	18	81.3 Å²	81.3	8%	0.084	43%	0.431	C	S	.	.	H	α-helix	trans	-72.4	-35.4	176.3	-75.6	161.5	152.8	0	0	112.5	H216 K218 N219 V224 S225 G231	H216-E228 WeakPolarHBondContact O-CB 2.98Å; H216-E228 WeakPolarHBondContact O-CG 3.25Å; K218-E228 HydrophobicContact CB-CG 4.45Å; K218-E228 HydrophobicContact CG-CG 4.39Å; K218-E228 PolarHBondContact N-OE1 3.37Å; N219-E228 PolarHBondContact N-OE1 2.95Å; N219-E228 PolarHBondContact ND2-OE1 3.28Å; N219-E228 PolarHBondContact ND2-OE2 3.17Å; V224-E228 HydrophobicContact CG1-CB 3.93Å; S225-E228 WeakPolarHBondContact CB-OE2 3.22Å; S225-E228 PolarHBondContact N-OE2 3.37Å; S225-E228 PolarHBondContact O-N 2.89Å; S225-E228 VanDerWaalsContact OG-CD 3.28Å; S225-E228 WeakPolarHBondContact OG-CG 3.39Å; S225-E228 PolarHBondContact OG-N 3.08Å; S225-E228 PolarHBondContact OG-OE2 3Å; E228-G231 WeakPolarHBondContact O-CA 3.11Å; E228-G231 PolarHBondContact O-N 2.85Å; E228-G231 VanDerWaalsContact O-N 3.11Å
229	F	82.8	Confident	75.5	Confident	18 Å²	18	75.4 Å²	75.4	8%	0.079	41%	0.412	C	S	.	.	H	α-helix	trans	-63.2	-42.5	173.5	-179.1	-107.2	0	0	0	112.2	V224 S225 L226 G231 E249 F253 Y257 L265 W273	V224-F229 HydrophobicContact CG1-CB 4.06Å; S225-F229 WeakPolarHBondContact O-CB 3.28Å; S225-F229 PolarHBondContact O-N 2.74Å; L226-F229 HydrophobicContact CD1-CD1 4.39Å; F229-G231 PolarHBondContact O-N 3.24Å; F229-E249 HydrophobicContact CD1-CG 4.49Å; F229-E249 HydrophobicContact CE1-CG 3.65Å; F229-E249 HydrophobicContact CZ-CG 4.22Å; F229-E249 VanDerWaalsContact CZ-OE1 3.27Å; F229-E249 WeakPolarHBondContact CZ-OE1 3.28Å; F229-F253 HydrophobicContact CB-CD2 3.91Å; F229-F253 HydrophobicContact CB-CE2 3.88Å; F229-F253 HydrophobicContact CD1-CB 4.18Å; F229-F253 AromaticContact CD1-CD2 3.53Å; F229-F253 HydrophobicContact CD1-CD2 3.53Å; F229-F253 HydrophobicContact CD1-CE2 4.36Å; F229-F253 HydrophobicContact CD1-CG 4.27Å; F229-F253 HydrophobicContact CD2-CD2 4.06Å; F229-F253 HydrophobicContact CD2-CE2 4.47Å; F229-F253 HydrophobicContact CE1-CB 3.96Å; F229-F253 AromaticContact CE1-CD2 3.95Å; F229-F253 HydrophobicContact CE1-CD2 3.95Å; F229-F253 HydrophobicContact CE1-CG 4.46Å; F229-F253 HydrophobicContact CE2-CD2 4.45Å; F229-F253 AromaticContact CG-CD2 3.58Å; F229-F253 HydrophobicContact CG-CD2 3.58Å; F229-F253 HydrophobicContact CG-CE2 4.02Å; F229-F253 HydrophobicContact CZ-CD2 4.42Å; F229-Y257 HydrophobicContact CE2-CD2 4.32Å; F229-Y257 HydrophobicContact CE2-CE2 4.24Å; F229-Y257 HydrophobicContact CZ-CD2 4.16Å; F229-Y257 AromaticContact CZ-CE2 3.96Å; F229-Y257 HydrophobicContact CZ-CE2 3.96Å; F229-L265 HydrophobicContact CD2-CD1 4.34Å; F229-W273 HydrophobicContact CD2-CD2 4.32Å; F229-W273 AromaticContact CD2-CE2 3.85Å; F229-W273 HydrophobicContact CD2-CH2 4.22Å; F229-W273 AromaticContact CD2-CZ2 3.8Å; F229-W273 HydrophobicContact CD2-CZ2 3.8Å; F229-W273 AromaticContact CE2-CD1 3.79Å; F229-W273 AromaticContact CE2-CD2 3.97Å; F229-W273 HydrophobicContact CE2-CD2 3.97Å; F229-W273 AromaticContact CE2-CE2 3.5Å; F229-W273 HydrophobicContact CE2-CG 4.1Å; F229-W273 AromaticContact CE2-CZ2 3.9Å; F229-W273 HydrophobicContact CE2-CZ2 3.9Å; F229-W273 AromaticContact CE2-NE1 3.43Å
230	L	79.1	Confident	74.4	Confident	32 Å²	32	79 Å²	79	17%	0.168	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.3	174.3	-64.8	173.5	0	0	0	113.1	L226 Y233 I246 E249 K250	L226-L230 HydrophobicContact CD1-CD1 4.28Å; L226-L230 HydrophobicContact CD1-CG 4.35Å; L226-L230 HydrophobicContact CG-CD1 4.17Å; L226-L230 VanDerWaalsContact O-CG 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.41Å; L226-L230 PolarHBondContact O-N 3.45Å; L230-Y233 WeakPolarHBondContact O-CB 3.24Å; L230-Y233 PolarHBondContact O-N 3.01Å; L230-I246 HydrophobicContact CD1-CG2 4.38Å; L230-I246 HydrophobicContact CD2-CG2 4.38Å; L230-E249 HydrophobicContact CD2-CB 4.26Å; L230-E249 HydrophobicContact CD2-CG 4.39Å; L230-K250 HydrophobicContact CD1-CG 4.35Å
231	G	76.9	Confident	73.5	Confident	42 Å²	42	83.9 Å²	83.9	43%	0.433	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	-136	173.9	0	0	0	0	0	114	E227 E228 F229 Y233	E227-G231 PolarHBondContact O-N 3.09Å; E228-G231 WeakPolarHBondContact O-CA 3.11Å; E228-G231 PolarHBondContact O-N 2.85Å; E228-G231 VanDerWaalsContact O-N 3.11Å; F229-G231 PolarHBondContact O-N 3.24Å; G231-Y233 PolarHBondContact O-N 3.5Å
232	D	61.2	Low	72.7	Confident	151 Å²	151	81.4 Å²	81.4	81%	0.807	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	13.6	-176.8	-93.9	-15.7	0	0	0	114	R234	D232-R234 PolarHBondContact O-N 2.93Å
233	Y	64.6	Low	72.4	Confident	76 Å²	76	82 Å²	82	30%	0.298	42%	0.423	S	S	.	.			trans	-62.6	107	175.3	-178.3	-100.8	0	0	0	110.6	L230 G231 W235 P243 W245 I246	L230-Y233 WeakPolarHBondContact O-CB 3.24Å; L230-Y233 PolarHBondContact O-N 3.01Å; G231-Y233 PolarHBondContact O-N 3.5Å; Y233-W235 PolarHBondContact O-N 3.34Å; Y233-P243 HydrophobicContact CE2-CG 4.45Å; Y233-P243 VanDerWaalsContact OH-CD 3.23Å; Y233-P243 WeakPolarHBondContact OH-CD 3.33Å; Y233-W245 HydrophobicContact CD2-CH2 4.1Å; Y233-W245 AromaticContact CD2-CZ2 3.8Å; Y233-W245 HydrophobicContact CD2-CZ2 3.8Å; Y233-W245 HydrophobicContact CE2-CZ2 4.07Å; Y233-W245 HydrophobicContact CG-CH2 4.44Å; Y233-I246 HydrophobicContact CD1-CD1 3.44Å; Y233-I246 VanDerWaalsContact CD1-CD1 3.44Å; Y233-I246 HydrophobicContact CD2-CD1 3.67Å; Y233-I246 HydrophobicContact CE1-CD1 3.11Å; Y233-I246 HydrophobicContact CE2-CD1 3.38Å; Y233-I246 HydrophobicContact CG-CD1 3.7Å
234	R	57.8	Low	71.7	Confident	214 Å²	214	86.7 Å²	86.7	81%	0.808	45%	0.445	S	S	*	.			trans	-88.2	104.3	174.6	-64.8	-175.6	-175.2	-162.5	-0.4	108.5	D232 D236	D232-R234 PolarHBondContact O-N 2.93Å; R234-D236 PolarHBondContact O-N 3.09Å; R234-D236 VanDerWaalsContact O-N 3.13Å
235	W	54.5	Low	70.9	Confident	135 Å²	135	93.3 Å²	93.3	51%	0.511	47%	0.47	S	S	.	.			trans	-42.6	119.6	165.7	173.6	-83.1	0	0	0	110	Y233 P237 D242	Y233-W235 PolarHBondContact O-N 3.34Å; W235-P237 VanDerWaalsContact O-CD 3.24Å; W235-P237 WeakPolarHBondContact O-CD 3.44Å; W235-D242 WeakPolarHBondContact CZ3-OD1 3.48Å; W235-D242 WeakPolarHBondContact CZ3-OD2 3.4Å
236	D	59.1	Low	70.5	Confident	77 Å²	77	92.2 Å²	92.2	41%	0.412	46%	0.462	S	S	.	.			trans	-78.8	112.1	172.2	-172.9	-21.3	0	0	0	108.2	R234 T238 A239	R234-D236 PolarHBondContact O-N 3.09Å; R234-D236 VanDerWaalsContact O-N 3.13Å; D236-T238 VanDerWaalsContact CG-OG1 3.27Å; D236-T238 PolarHBondContact O-N 2.82Å; D236-T238 WeakPolarHBondContact OD1-CB 3.44Å; D236-T238 PolarHBondContact OD1-N 3.38Å; D236-T238 PolarHBondContact OD1-OG1 2.95Å; D236-T238 PolarHBondContact OD2-OG1 3.42Å; D236-A239 HydrophobicContact CB-CB 4.12Å; D236-A239 PolarHBondContact O-N 3.02Å
237	P	58.6	Low	70.1	Confident	114 Å²	114	94.5 Å²	94.5	74%	0.74	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-10.4	-180	-16.9	31.1	0	0	0	113.8	W235	W235-P237 VanDerWaalsContact O-CD 3.24Å; W235-P237 WeakPolarHBondContact O-CD 3.44Å
238	T	63.3	Low	69.8	Low	120 Å²	120	91.1 Å²	91.1	74%	0.736	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-8.7	178.8	66.9	0	0	0	0	114	D236	D236-T238 VanDerWaalsContact CG-OG1 3.27Å; D236-T238 PolarHBondContact O-N 2.82Å; D236-T238 WeakPolarHBondContact OD1-CB 3.44Å; D236-T238 PolarHBondContact OD1-N 3.38Å; D236-T238 PolarHBondContact OD1-OG1 2.95Å; D236-T238 PolarHBondContact OD2-OG1 3.42Å
239	A	65.1	Low	69.4	Low	37 Å²	37	92.5 Å²	92.5	31%	0.306	47%	0.471	S	S	.	.			trans	-80	130.4	170	0	0	0	0	0	109.9	D236 E241	D236-A239 HydrophobicContact CB-CB 4.12Å; D236-A239 PolarHBondContact O-N 3.02Å; A239-E241 VanDerWaalsContact C-N 3.33Å
240	N	61.9	Low	69.4	Low	166 Å²	166	94.4 Å²	94.4	89%	0.888	48%	0.479	S	S	*	.	S	Bend	trans	-78.1	-20.3	177.5	-102.7	-3.9	0	0	0	112.6
241	E	67.4	Low	69.6	Low	165 Å²	165	97.6 Å²	97.6	77%	0.771	50%	0.496	S	S	*	.	S	Bend	trans	-141.7	144.6	-174.9	-68	178	-177.9	0	0	109.7	A239	A239-E241 VanDerWaalsContact C-N 3.33Å
242	D	70.5	Confident	69.7	Low	27 Å²	27	100.1 Å²	100.1	14%	0.144	49%	0.493	C	S	.	.			trans	-64.1	143.4	169.7	-85.3	-40.9	0	0	0	110	W235 I246 L247 K250	W235-D242 WeakPolarHBondContact CZ3-OD1 3.48Å; W235-D242 WeakPolarHBondContact CZ3-OD2 3.4Å; D242-I246 HydrophobicContact CB-CB 4.28Å; D242-I246 HydrophobicContact CB-CG2 4.27Å; D242-L247 HydrophobicContact CB-CD2 4.07Å; D242-L247 HydrophobicContact CB-CG 4.26Å; D242-K250 IonicContact OD2-NZ 2.72Å; D242-K250 PolarHBondContact OD2-NZ 2.86Å
243	P	78.8	Confident	70.7	Confident	44 Å²	44	93 Å²	93	29%	0.286	46%	0.455	S	S	.	.			trans	-50.6	141.6	166	-24.6	32	0	0	0	111.9	Y233 W245 I246 L247	Y233-P243 HydrophobicContact CE2-CG 4.45Å; Y233-P243 VanDerWaalsContact OH-CD 3.23Å; Y233-P243 WeakPolarHBondContact OH-CD 3.33Å; P243-W245 HydrophobicContact CB-CG 4.33Å; P243-W245 VanDerWaalsContact CB-NE1 3.29Å; P243-W245 PolarHBondContact O-N 3.49Å; P243-W245 VanDerWaalsContact O-N 3.13Å; P243-I246 HydrophobicContact CB-CD1 4.47Å; P243-I246 HydrophobicContact CB-CG1 4.25Å; P243-I246 HydrophobicContact CG-CD1 4.05Å; P243-I246 HydrophobicContact CG-CG1 4.37Å; P243-I246 WeakPolarHBondContact O-CB 3.31Å; P243-I246 PolarHBondContact O-N 3.48Å; P243-L247 PolarHBondContact O-N 3.33Å
244	E	73.6	Confident	71.7	Confident	158 Å²	158	92.3 Å²	92.3	74%	0.738	46%	0.458	S	S	*	.	H	α-helix	trans	-54.1	-37.3	-177.9	-72.9	-173	161.2	0	0	113.3	I246 L247 V248	E244-I246 PolarHBondContact O-N 3.32Å; E244-L247 WeakPolarHBondContact O-CB 3.48Å; E244-L247 PolarHBondContact O-N 3.1Å; E244-L247 VanDerWaalsContact O-N 3.12Å; E244-V248 WeakPolarHBondContact O-CG2 3.48Å; E244-V248 PolarHBondContact O-N 2.95Å
245	W	71.9	Confident	72.8	Confident	139 Å²	139	86.2 Å²	86.2	53%	0.527	44%	0.442	S	S	.	.	H	α-helix	trans	-61.8	-31.1	177.4	72.6	-93.6	0	0	0	113	Y233 P243 V248 E249	Y233-W245 HydrophobicContact CD2-CH2 4.1Å; Y233-W245 AromaticContact CD2-CZ2 3.8Å; Y233-W245 HydrophobicContact CD2-CZ2 3.8Å; Y233-W245 HydrophobicContact CE2-CZ2 4.07Å; Y233-W245 HydrophobicContact CG-CH2 4.44Å; P243-W245 HydrophobicContact CB-CG 4.33Å; P243-W245 VanDerWaalsContact CB-NE1 3.29Å; P243-W245 PolarHBondContact O-N 3.49Å; P243-W245 VanDerWaalsContact O-N 3.13Å; W245-V248 PolarHBondContact O-N 3.15Å; W245-E249 WeakPolarHBondContact O-CB 3.26Å; W245-E249 PolarHBondContact O-N 2.87Å
246	I	79	Confident	73.9	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-72.5	-36.9	176.2	-61.9	-169	0	0	0	110.8	L230 Y233 D242 P243 E244 V248 E249 K250	L230-I246 HydrophobicContact CD1-CG2 4.38Å; L230-I246 HydrophobicContact CD2-CG2 4.38Å; Y233-I246 HydrophobicContact CD1-CD1 3.44Å; Y233-I246 VanDerWaalsContact CD1-CD1 3.44Å; Y233-I246 HydrophobicContact CD2-CD1 3.67Å; Y233-I246 HydrophobicContact CE1-CD1 3.11Å; Y233-I246 HydrophobicContact CE2-CD1 3.38Å; Y233-I246 HydrophobicContact CG-CD1 3.7Å; D242-I246 HydrophobicContact CB-CB 4.28Å; D242-I246 HydrophobicContact CB-CG2 4.27Å; P243-I246 HydrophobicContact CB-CD1 4.47Å; P243-I246 HydrophobicContact CB-CG1 4.25Å; P243-I246 HydrophobicContact CG-CD1 4.05Å; P243-I246 HydrophobicContact CG-CG1 4.37Å; P243-I246 WeakPolarHBondContact O-CB 3.31Å; P243-I246 PolarHBondContact O-N 3.48Å; E244-I246 PolarHBondContact O-N 3.32Å; I246-V248 VanDerWaalsContact C-N 3.29Å; I246-E249 PolarHBondContact O-N 3.08Å; I246-K250 HydrophobicContact CG2-CD 3.94Å; I246-K250 HydrophobicContact CG2-CG 4.21Å; I246-K250 VanDerWaalsContact O-CB 3.31Å; I246-K250 WeakPolarHBondContact O-CB 3.4Å; I246-K250 VanDerWaalsContact O-CG 3.23Å; I246-K250 WeakPolarHBondContact O-CG 3.32Å; I246-K250 PolarHBondContact O-N 2.97Å
247	L	78.5	Confident	75.1	Confident	96 Å²	96	81.5 Å²	81.5	50%	0.503	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-41.6	175	-61.8	175.1	0	0	0	110.4	D242 P243 E244 D251	D242-L247 HydrophobicContact CB-CD2 4.07Å; D242-L247 HydrophobicContact CB-CG 4.26Å; P243-L247 PolarHBondContact O-N 3.33Å; E244-L247 WeakPolarHBondContact O-CB 3.48Å; E244-L247 PolarHBondContact O-N 3.1Å; E244-L247 VanDerWaalsContact O-N 3.12Å; L247-D251 VanDerWaalsContact O-CB 3.3Å; L247-D251 WeakPolarHBondContact O-CB 3.07Å; L247-D251 PolarHBondContact O-N 3.31Å
248	V	76.1	Confident	76.5	Confident	84 Å²	84	76.4 Å²	76.4	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-45.5	174.2	175.7	0	0	0	0	111.2	E244 W245 I246 D251 R252	E244-V248 WeakPolarHBondContact O-CG2 3.48Å; E244-V248 PolarHBondContact O-N 2.95Å; W245-V248 PolarHBondContact O-N 3.15Å; I246-V248 VanDerWaalsContact C-N 3.29Å; V248-D251 PolarHBondContact O-N 3.18Å; V248-R252 WeakPolarHBondContact O-CB 3.46Å; V248-R252 PolarHBondContact O-N 2.99Å
249	E	76.8	Confident	77.6	Confident	47 Å²	47	77.1 Å²	77.1	22%	0.22	38%	0.384	C	S	.	.	H	α-helix	trans	-71.4	-34.3	-176.5	-148	48.5	-145.1	0	0	112.2	F229 L230 W245 I246 R252 F253	F229-E249 HydrophobicContact CD1-CG 4.49Å; F229-E249 HydrophobicContact CE1-CG 3.65Å; F229-E249 HydrophobicContact CZ-CG 4.22Å; F229-E249 VanDerWaalsContact CZ-OE1 3.27Å; F229-E249 WeakPolarHBondContact CZ-OE1 3.28Å; L230-E249 HydrophobicContact CD2-CB 4.26Å; L230-E249 HydrophobicContact CD2-CG 4.39Å; W245-E249 WeakPolarHBondContact O-CB 3.26Å; W245-E249 PolarHBondContact O-N 2.87Å; I246-E249 PolarHBondContact O-N 3.08Å; E249-R252 IonicContact OE1-NE 3.84Å; E249-R252 IonicContact OE2-NE 3.72Å; E249-R252 PolarHBondContact OE2-NE 3.49Å; E249-F253 WeakPolarHBondContact O-CB 3.46Å; E249-F253 PolarHBondContact O-N 3.01Å
250	K	82.8	Confident	78.7	Confident	59 Å²	59	79.8 Å²	79.8	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-42	169	-75.3	176.2	178.4	176.1	0	111.9	L226 L230 D242 I246 F253 V254	L226-K250 HydrophobicContact CD1-CG 4.13Å; L226-K250 HydrophobicContact CD2-CG 4.25Å; L230-K250 HydrophobicContact CD1-CG 4.35Å; D242-K250 IonicContact OD2-NZ 2.72Å; D242-K250 PolarHBondContact OD2-NZ 2.86Å; I246-K250 HydrophobicContact CG2-CD 3.94Å; I246-K250 HydrophobicContact CG2-CG 4.21Å; I246-K250 VanDerWaalsContact O-CB 3.31Å; I246-K250 WeakPolarHBondContact O-CB 3.4Å; I246-K250 VanDerWaalsContact O-CG 3.23Å; I246-K250 WeakPolarHBondContact O-CG 3.32Å; I246-K250 PolarHBondContact O-N 2.97Å; K250-F253 PolarHBondContact O-N 3.06Å; K250-V254 WeakPolarHBondContact O-CG2 3.07Å; K250-V254 PolarHBondContact O-N 2.77Å; K250-V254 VanDerWaalsContact O-N 3.14Å
251	D	82.2	Confident	79.9	Confident	99 Å²	99	77.2 Å²	77.2	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-43.1	177.5	-167.8	75.9	0	0	0	110.7	L247 V248 V254 N255	L247-D251 VanDerWaalsContact O-CB 3.3Å; L247-D251 WeakPolarHBondContact O-CB 3.07Å; L247-D251 PolarHBondContact O-N 3.31Å; V248-D251 PolarHBondContact O-N 3.18Å; D251-V254 PolarHBondContact O-N 2.86Å; D251-N255 VanDerWaalsContact O-CB 3.25Å; D251-N255 WeakPolarHBondContact O-CB 3.46Å; D251-N255 PolarHBondContact O-N 3.3Å; D251-N255 PolarHBondContact O-ND2 2.88Å; D251-N255 PolarHBondContact OD1-ND2 3.16Å; D251-N255 PolarHBondContact OD2-ND2 2.77Å
252	R	79.1	Confident	80.9	Confident	95 Å²	95	72.2 Å²	72.2	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-47.1	173.3	-166.9	-163	-65.2	-96.4	1	111.6	V248 E249 V254 N255 D256 Y257	V248-R252 WeakPolarHBondContact O-CB 3.46Å; V248-R252 PolarHBondContact O-N 2.99Å; E249-R252 IonicContact OE1-NE 3.84Å; E249-R252 IonicContact OE2-NE 3.72Å; E249-R252 PolarHBondContact OE2-NE 3.49Å; R252-V254 VanDerWaalsContact C-N 3.32Å; R252-V254 PolarHBondContact O-N 2.85Å; R252-N255 PolarHBondContact O-N 3.22Å; R252-D256 HydrophobicContact CG-CB 4.06Å; R252-D256 WeakPolarHBondContact CG-OD2 3.23Å; R252-D256 WeakPolarHBondContact O-CA 3.39Å; R252-D256 VanDerWaalsContact O-CB 3.25Å; R252-D256 WeakPolarHBondContact O-CB 3.38Å; R252-D256 PolarHBondContact O-N 3.35Å; R252-Y257 VanDerWaalsContact CD-CE2 3.47Å; R252-Y257 HydrophobicContact CG-CD2 4.31Å; R252-Y257 HydrophobicContact CG-CE2 3.66Å; R252-Y257 PolarHBondContact O-N 2.78Å
253	F	83.7	Confident	81.6	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.009	37%	0.371	C	S	.	.	I	π-helix	trans	-53.3	-50.1	176.7	-176.1	-84.9	0	0	0	111.7	L226 F229 E249 K250 Y257 D258 L265	L226-F253 HydrophobicContact CB-CD1 4.49Å; L226-F253 HydrophobicContact CB-CE1 4.2Å; L226-F253 HydrophobicContact CB-CE2 4.47Å; L226-F253 HydrophobicContact CB-CZ 4.18Å; L226-F253 HydrophobicContact CD1-CB 3.87Å; L226-F253 HydrophobicContact CD1-CD1 3.87Å; L226-F253 HydrophobicContact CD1-CD2 3.95Å; L226-F253 HydrophobicContact CD1-CE1 4.4Å; L226-F253 HydrophobicContact CD1-CE2 4.43Å; L226-F253 HydrophobicContact CD1-CG 3.62Å; F229-F253 HydrophobicContact CB-CD2 3.91Å; F229-F253 HydrophobicContact CB-CE2 3.88Å; F229-F253 HydrophobicContact CD1-CB 4.18Å; F229-F253 AromaticContact CD1-CD2 3.53Å; F229-F253 HydrophobicContact CD1-CD2 3.53Å; F229-F253 HydrophobicContact CD1-CE2 4.36Å; F229-F253 HydrophobicContact CD1-CG 4.27Å; F229-F253 HydrophobicContact CD2-CD2 4.06Å; F229-F253 HydrophobicContact CD2-CE2 4.47Å; F229-F253 HydrophobicContact CE1-CB 3.96Å; F229-F253 AromaticContact CE1-CD2 3.95Å; F229-F253 HydrophobicContact CE1-CD2 3.95Å; F229-F253 HydrophobicContact CE1-CG 4.46Å; F229-F253 HydrophobicContact CE2-CD2 4.45Å; F229-F253 AromaticContact CG-CD2 3.58Å; F229-F253 HydrophobicContact CG-CD2 3.58Å; F229-F253 HydrophobicContact CG-CE2 4.02Å; F229-F253 HydrophobicContact CZ-CD2 4.42Å; E249-F253 WeakPolarHBondContact O-CB 3.46Å; E249-F253 PolarHBondContact O-N 3.01Å; K250-F253 PolarHBondContact O-N 3.06Å; F253-Y257 PolarHBondContact O-N 3.34Å; F253-D258 HydrophobicContact CD1-CB 4.38Å; F253-D258 HydrophobicContact CE1-CB 4.23Å; F253-D258 VanDerWaalsContact O-CB 3.32Å; F253-D258 WeakPolarHBondContact O-CB 3.38Å; F253-D258 PolarHBondContact O-N 2.74Å; F253-L265 HydrophobicContact CD2-CD1 3.94Å; F253-L265 HydrophobicContact CD2-CD2 4.35Å; F253-L265 HydrophobicContact CD2-CG 4.16Å; F253-L265 HydrophobicContact CE1-CD2 4.41Å; F253-L265 HydrophobicContact CE2-CD1 3.58Å; F253-L265 HydrophobicContact CE2-CD2 3.91Å; F253-L265 HydrophobicContact CE2-CG 3.44Å; F253-L265 VanDerWaalsContact CE2-CG 3.44Å; F253-L265 HydrophobicContact CZ-CD1 4.37Å; F253-L265 HydrophobicContact CZ-CD2 3.93Å; F253-L265 HydrophobicContact CZ-CG 3.73Å
254	V	84.6	Confident	82.1	Confident	61 Å²	61	75.7 Å²	75.7	37%	0.37	38%	0.376	S	S	.	.	I	π-helix	trans	-76.4	-39.3	-175.3	176.1	0	0	0	0	112.7	K250 D251 R252	K250-V254 WeakPolarHBondContact O-CG2 3.07Å; K250-V254 PolarHBondContact O-N 2.77Å; K250-V254 VanDerWaalsContact O-N 3.14Å; D251-V254 PolarHBondContact O-N 2.86Å; R252-V254 VanDerWaalsContact C-N 3.32Å; R252-V254 PolarHBondContact O-N 2.85Å
255	N	81.6	Confident	82.8	Confident	86 Å²	86	68.2 Å²	68.2	46%	0.46	34%	0.34	S	S	.	.	I	π-helix	trans	-90.6	-37	-172.5	-64.7	-36.3	0	0	0	112.7	D251 R252 K259	D251-N255 VanDerWaalsContact O-CB 3.25Å; D251-N255 WeakPolarHBondContact O-CB 3.46Å; D251-N255 PolarHBondContact O-N 3.3Å; D251-N255 PolarHBondContact O-ND2 2.88Å; D251-N255 PolarHBondContact OD1-ND2 3.16Å; D251-N255 PolarHBondContact OD2-ND2 2.77Å; R252-N255 PolarHBondContact O-N 3.22Å; N255-K259 PolarHBondContact O-NZ 2.69Å
256	D	78.3	Confident	83.6	Confident	83 Å²	83	63.4 Å²	63.4	44%	0.444	33%	0.325	S	S	.	.	I	π-helix	trans	-98.4	-35.5	-169.9	-61.5	-15.2	0	0	0	112.2	R252 K259	R252-D256 HydrophobicContact CG-CB 4.06Å; R252-D256 WeakPolarHBondContact CG-OD2 3.23Å; R252-D256 WeakPolarHBondContact O-CA 3.39Å; R252-D256 VanDerWaalsContact O-CB 3.25Å; R252-D256 WeakPolarHBondContact O-CB 3.38Å; R252-D256 PolarHBondContact O-N 3.35Å; D256-K259 WeakPolarHBondContact O-CE 3.29Å; D256-K259 PolarHBondContact O-NZ 2.95Å
257	Y	83.5	Confident	83.9	Confident	29 Å²	29	66 Å²	66	11%	0.114	34%	0.342	C	S	.	.	I	π-helix	trans	-106.6	-53.7	-173.5	-55.5	-52	0	0	0	114	F229 R252 F253 K259 P272 W273	F229-Y257 HydrophobicContact CE2-CD2 4.32Å; F229-Y257 HydrophobicContact CE2-CE2 4.24Å; F229-Y257 HydrophobicContact CZ-CD2 4.16Å; F229-Y257 AromaticContact CZ-CE2 3.96Å; F229-Y257 HydrophobicContact CZ-CE2 3.96Å; R252-Y257 VanDerWaalsContact CD-CE2 3.47Å; R252-Y257 HydrophobicContact CG-CD2 4.31Å; R252-Y257 HydrophobicContact CG-CE2 3.66Å; R252-Y257 PolarHBondContact O-N 2.78Å; F253-Y257 PolarHBondContact O-N 3.34Å; Y257-K259 PolarHBondContact O-N 3.15Å; Y257-P272 HydrophobicContact CD1-CB 4.28Å; Y257-P272 HydrophobicContact CE1-CB 4.2Å; Y257-W273 HydrophobicContact CD1-CB 4.19Å; Y257-W273 HydrophobicContact CE1-CB 3.87Å; Y257-W273 HydrophobicContact CE2-CB 4.39Å
258	D	87.6	Confident	84.1	Confident	7 Å²	7	69 Å²	69	4%	0.037	35%	0.354	C	S	.	.			trans	-73.2	86.7	-178.3	-176.9	2.2	0	0	0	111.3	F253 N261 D262 G263 L265	F253-D258 HydrophobicContact CD1-CB 4.38Å; F253-D258 HydrophobicContact CE1-CB 4.23Å; F253-D258 VanDerWaalsContact O-CB 3.32Å; F253-D258 WeakPolarHBondContact O-CB 3.38Å; F253-D258 PolarHBondContact O-N 2.74Å; D258-N261 VanDerWaalsContact CG-CA 3.49Å; D258-N261 WeakPolarHBondContact OD1-CA 3.46Å; D258-N261 PolarHBondContact OD1-N 3.33Å; D258-N261 WeakPolarHBondContact OD2-CA 3.26Å; D258-D262 PolarHBondContact OD1-N 2.9Å; D258-D262 VanDerWaalsContact OD1-N 3.15Å; D258-G263 VanDerWaalsContact OD2-CA 3.31Å; D258-G263 WeakPolarHBondContact OD2-CA 3.42Å; D258-G263 PolarHBondContact OD2-N 3.3Å; D258-L265 HydrophobicContact CB-CD2 4.05Å
259	K	85.9	Confident	84.6	Confident	135 Å²	135	65.8 Å²	65.8	59%	0.587	33%	0.333	S	S	*	.	S	Bend	trans	-77.2	-35.2	-175.9	-63.9	-55.2	175.7	-159.9	0	111.3	N255 D256 Y257 N261 E269	N255-K259 PolarHBondContact O-NZ 2.69Å; D256-K259 WeakPolarHBondContact O-CE 3.29Å; D256-K259 PolarHBondContact O-NZ 2.95Å; Y257-K259 PolarHBondContact O-N 3.15Å; K259-N261 VanDerWaalsContact C-N 3.34Å; K259-N261 PolarHBondContact O-ND2 2.5Å; K259-E269 WeakPolarHBondContact CA-OE1 3.44Å; K259-E269 PolarHBondContact N-OE1 2.99Å
260	D	87.9	Confident	85	Confident	93 Å²	93	63.5 Å²	63.5	50%	0.497	32%	0.322	S	S	.	.	S	Bend	trans	-86.4	-7.1	-179.4	84.7	-1.6	0	0	0	114	D262 E269	D260-D262 VanDerWaalsContact C-N 3.25Å; D260-D262 PolarHBondContact O-N 3.37Å; D260-D262 WeakPolarHBondContact OD1-CB 3.31Å; D260-D262 PolarHBondContact OD1-N 2.56Å; D260-E269 PolarHBondContact N-OE1 2.94Å
261	N	87.8	Confident	85	Confident	113 Å²	113	63.7 Å²	63.7	60%	0.604	33%	0.326	S	S	*	.			trans	59.3	32.9	179.1	-65.6	-106.5	0	0	0	112.7	D258 K259 G263	D258-N261 VanDerWaalsContact CG-CA 3.49Å; D258-N261 WeakPolarHBondContact OD1-CA 3.46Å; D258-N261 PolarHBondContact OD1-N 3.33Å; D258-N261 WeakPolarHBondContact OD2-CA 3.26Å; K259-N261 VanDerWaalsContact C-N 3.34Å; K259-N261 PolarHBondContact O-ND2 2.5Å; N261-G263 VanDerWaalsContact C-N 3.33Å
262	D	87.6	Confident	84.8	Confident	60 Å²	60	62 Å²	62	32%	0.321	32%	0.32	S	S	.	.	S	Bend	trans	-87.6	-4.1	178.5	85.9	-2.1	0	0	0	113.4	D258 D260 R264	D258-D262 PolarHBondContact OD1-N 2.9Å; D258-D262 VanDerWaalsContact OD1-N 3.15Å; D260-D262 VanDerWaalsContact C-N 3.25Å; D260-D262 PolarHBondContact O-N 3.37Å; D260-D262 WeakPolarHBondContact OD1-CB 3.31Å; D260-D262 PolarHBondContact OD1-N 2.56Å; D262-R264 WeakPolarHBondContact OD1-CG 3.2Å; D262-R264 PolarHBondContact OD1-N 2.91Å; D262-R264 VanDerWaalsContact OD1-N 3.07Å; D262-R264 IonicContact OD1-NE 2.74Å; D262-R264 IonicContact OD2-CZ 3.71Å; D262-R264 IonicContact OD2-NE 2.75Å; D262-R264 PolarHBondContact OD2-NE 3.43Å; D262-R264 IonicContact OD2-NH2 3.12Å; D262-R264 PolarHBondContact OD2-NH2 3.16Å
263	G	86	Confident	84.7	Confident	40 Å²	40	60.7 Å²	60.7	41%	0.412	32%	0.315	S	S	.	.	S	Bend	trans	82.6	11.5	173.8	0	0	0	0	0	114.5	D258 N261	D258-G263 VanDerWaalsContact OD2-CA 3.31Å; D258-G263 WeakPolarHBondContact OD2-CA 3.42Å; D258-G263 PolarHBondContact OD2-N 3.3Å; N261-G263 VanDerWaalsContact C-N 3.33Å
264	R	89.4	Confident	84.3	Confident	104 Å²	104	62.7 Å²	62.7	39%	0.392	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	155.1	174.2	54.8	176.2	-178.8	-140.5	-11.5	108.5	F223 V224 D262	F223-R264 HydrophobicContact CB-CB 4.1Å; F223-R264 HydrophobicContact CB-CG 4.35Å; F223-R264 HydrophobicContact CD1-CG 4.25Å; F223-R264 HydrophobicContact CG-CG 4.42Å; V224-R264 WeakPolarHBondContact O-CA 3.48Å; D262-R264 WeakPolarHBondContact OD1-CG 3.2Å; D262-R264 PolarHBondContact OD1-N 2.91Å; D262-R264 VanDerWaalsContact OD1-N 3.07Å; D262-R264 IonicContact OD1-NE 2.74Å; D262-R264 IonicContact OD2-CZ 3.71Å; D262-R264 IonicContact OD2-NE 2.75Å; D262-R264 PolarHBondContact OD2-NE 3.43Å; D262-R264 IonicContact OD2-NH2 3.12Å; D262-R264 PolarHBondContact OD2-NH2 3.16Å
265	L	87.9	Confident	83.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.7	177.3	-56.1	179	0	0	0	109.5	F223 V224 F229 F253 D258 E269 L270	F223-L265 WeakPolarHBondContact CA-O 3.28Å; V224-L265 HydrophobicContact CB-CB 4.33Å; V224-L265 PolarHBondContact N-O 2.81Å; V224-L265 VanDerWaalsContact N-O 3.1Å; V224-L265 PolarHBondContact O-N 3.07Å; F229-L265 HydrophobicContact CD2-CD1 4.34Å; F253-L265 HydrophobicContact CD2-CD1 3.94Å; F253-L265 HydrophobicContact CD2-CD2 4.35Å; F253-L265 HydrophobicContact CD2-CG 4.16Å; F253-L265 HydrophobicContact CE1-CD2 4.41Å; F253-L265 HydrophobicContact CE2-CD1 3.58Å; F253-L265 HydrophobicContact CE2-CD2 3.91Å; F253-L265 HydrophobicContact CE2-CG 3.44Å; F253-L265 VanDerWaalsContact CE2-CG 3.44Å; F253-L265 HydrophobicContact CZ-CD1 4.37Å; F253-L265 HydrophobicContact CZ-CD2 3.93Å; F253-L265 HydrophobicContact CZ-CG 3.73Å; D258-L265 HydrophobicContact CB-CD2 4.05Å; L265-E269 HydrophobicContact CB-CB 4.4Å; L265-E269 HydrophobicContact CD2-CB 4.27Å; L265-L270 HydrophobicContact CB-CD1 3.93Å; L265-L270 HydrophobicContact CD1-CD1 3.95Å
266	D	88.8	Confident	82.8	Confident	39 Å²	39	60.3 Å²	60.3	21%	0.209	32%	0.317	C	S	.	.			trans	-76.8	167.4	168.5	84.1	28.1	0	0	0	111.9	F223 Q268 E269 L270	F223-D266 HydrophobicContact CD1-CB 4Å; F223-D266 HydrophobicContact CE1-CB 3.82Å; D266-Q268 PolarHBondContact O-N 2.93Å; D266-Q268 VanDerWaalsContact O-N 3.12Å; D266-Q268 VanDerWaalsContact OD1-CA 3.29Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.19Å; D266-Q268 VanDerWaalsContact OD1-CB 3.29Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.44Å; D266-Q268 PolarHBondContact OD1-N 3.02Å; D266-E269 PolarHBondContact N-OE2 3.29Å; D266-E269 PolarHBondContact O-N 3.08Å; D266-E269 VanDerWaalsContact O-N 3.12Å; D266-E269 PolarHBondContact OD1-N 3.5Å; D266-L270 WeakPolarHBondContact O-CB 3.14Å; D266-L270 PolarHBondContact O-N 2.64Å
267	P	85.2	Confident	82.3	Confident	54 Å²	54	60.9 Å²	60.9	35%	0.351	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.1	179.5	-30.2	37.5	0	0	0	115.3	I209 L213	I209-P267 WeakPolarHBondContact CD1-O 3.47Å; I209-P267 HydrophobicContact CG2-CB 3.76Å; L213-P267 HydrophobicContact CD1-CG 4.34Å
268	Q	84.2	Confident	81.6	Confident	160 Å²	160	60.6 Å²	60.6	75%	0.748	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-36.5	178.5	-58	-176.7	-1.4	0	0	111.6	D266 L270 L271	D266-Q268 PolarHBondContact O-N 2.93Å; D266-Q268 VanDerWaalsContact O-N 3.12Å; D266-Q268 VanDerWaalsContact OD1-CA 3.29Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.19Å; D266-Q268 VanDerWaalsContact OD1-CB 3.29Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.44Å; D266-Q268 PolarHBondContact OD1-N 3.02Å; Q268-L270 VanDerWaalsContact C-N 3.3Å; Q268-L271 WeakPolarHBondContact O-CB 3.21Å; Q268-L271 PolarHBondContact O-N 3.29Å
269	E	86.4	Confident	80.9	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.07	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.2	174.5	-66.5	179.1	141	0	0	112.7	K259 D260 L265 D266 L271 P272	K259-E269 WeakPolarHBondContact CA-OE1 3.44Å; K259-E269 PolarHBondContact N-OE1 2.99Å; D260-E269 PolarHBondContact N-OE1 2.94Å; L265-E269 HydrophobicContact CB-CB 4.4Å; L265-E269 HydrophobicContact CD2-CB 4.27Å; D266-E269 PolarHBondContact N-OE2 3.29Å; D266-E269 PolarHBondContact O-N 3.08Å; D266-E269 VanDerWaalsContact O-N 3.12Å; D266-E269 PolarHBondContact OD1-N 3.5Å; E269-L271 VanDerWaalsContact C-N 3.32Å; E269-P272 VanDerWaalsContact O-CD 3.28Å; E269-P272 WeakPolarHBondContact O-CD 3.37Å
270	L	84.7	Confident	80.1	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-72.6	-27.1	173	-152.2	71	0	0	0	112.2	I209 A212 L213 V224 L265 D266 Q268 W273 V274	I209-L270 HydrophobicContact CG2-CD2 4.17Å; A212-L270 HydrophobicContact CB-CD2 3.82Å; L213-L270 HydrophobicContact CD2-CD2 3.93Å; L213-L270 HydrophobicContact CG-CD2 3.93Å; V224-L270 HydrophobicContact CB-CD1 4.05Å; V224-L270 HydrophobicContact CG2-CD1 3.68Å; V224-L270 HydrophobicContact CG2-CD2 4.25Å; L265-L270 HydrophobicContact CB-CD1 3.93Å; L265-L270 HydrophobicContact CD1-CD1 3.95Å; D266-L270 WeakPolarHBondContact O-CB 3.14Å; D266-L270 PolarHBondContact O-N 2.64Å; Q268-L270 VanDerWaalsContact C-N 3.3Å; L270-W273 HydrophobicContact CD1-CD2 4.42Å; L270-W273 HydrophobicContact CD1-CE3 3.29Å; L270-W273 HydrophobicContact CD1-CZ3 3.56Å; L270-W273 HydrophobicContact CD2-CE3 4.48Å; L270-W273 HydrophobicContact CD2-CZ3 4.49Å; L270-W273 HydrophobicContact CG-CE3 3.72Å; L270-W273 HydrophobicContact CG-CZ3 4.15Å; L270-W273 WeakPolarHBondContact O-CA 3.34Å; L270-W273 WeakPolarHBondContact O-CB 3.45Å; L270-W273 PolarHBondContact O-N 3.31Å; L270-V274 HydrophobicContact CD2-CG2 4.14Å; L270-V274 HydrophobicContact CG-CG2 3.88Å; L270-V274 WeakPolarHBondContact O-CG2 3.42Å; L270-V274 PolarHBondContact O-N 3.28Å; L270-V274 VanDerWaalsContact O-N 3.08Å
271	L	81.9	Confident	79.5	Confident	62 Å²	62	55.5 Å²	55.5	33%	0.325	30%	0.303	S	S	.	.	H	α-helix	trans	-54.3	-49.2	-173.9	178.8	64.1	0	0	0	113.5	T205 I209 Q268 E269 W273 V274 V275	T205-L271 HydrophobicContact CG2-CD1 3.16Å; T205-L271 HydrophobicContact CG2-CD2 4.37Å; T205-L271 HydrophobicContact CG2-CG 4.39Å; I209-L271 HydrophobicContact CD1-CB 4.4Å; I209-L271 HydrophobicContact CD1-CD1 4.16Å; I209-L271 HydrophobicContact CG1-CD1 4.35Å; Q268-L271 WeakPolarHBondContact O-CB 3.21Å; Q268-L271 PolarHBondContact O-N 3.29Å; E269-L271 VanDerWaalsContact C-N 3.32Å; L271-W273 PolarHBondContact O-N 3.1Å; L271-V274 PolarHBondContact O-N 2.93Å; L271-V275 HydrophobicContact CD1-CB 4.08Å; L271-V275 HydrophobicContact CD1-CG2 3.63Å; L271-V275 WeakPolarHBondContact O-CB 3.29Å; L271-V275 PolarHBondContact O-N 2.82Å
272	P	77.9	Confident	79.1	Confident	65 Å²	65	50.1 Å²	50.1	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-68.4	-12.4	178.9	-16.6	32.8	0	0	0	114.2	Y257 E269	Y257-P272 HydrophobicContact CD1-CB 4.28Å; Y257-P272 HydrophobicContact CE1-CB 4.2Å; E269-P272 VanDerWaalsContact O-CD 3.28Å; E269-P272 WeakPolarHBondContact O-CD 3.37Å
273	W	77	Confident	78.8	Confident	66 Å²	66	51 Å²	51	25%	0.25	28%	0.276	C	S	.	.	H	α-helix	trans	-87.6	-39.4	174.8	175.8	54.1	0	0	0	111.8	H216 F229 Y257 L270 L271	H216-W273 HydrophobicContact CB-CH2 4.3Å; H216-W273 AromaticContact CD2-CH2 3.51Å; H216-W273 AromaticContact CE1-CH2 3.6Å; H216-W273 AromaticContact CE1-CZ2 3.99Å; H216-W273 AromaticContact CG-CH2 3.57Å; H216-W273 AromaticContact ND1-CH2 3.63Å; H216-W273 AromaticContact NE2-CH2 3.54Å; F229-W273 HydrophobicContact CD2-CD2 4.32Å; F229-W273 AromaticContact CD2-CE2 3.85Å; F229-W273 HydrophobicContact CD2-CH2 4.22Å; F229-W273 AromaticContact CD2-CZ2 3.8Å; F229-W273 HydrophobicContact CD2-CZ2 3.8Å; F229-W273 AromaticContact CE2-CD1 3.79Å; F229-W273 AromaticContact CE2-CD2 3.97Å; F229-W273 HydrophobicContact CE2-CD2 3.97Å; F229-W273 AromaticContact CE2-CE2 3.5Å; F229-W273 HydrophobicContact CE2-CG 4.1Å; F229-W273 AromaticContact CE2-CZ2 3.9Å; F229-W273 HydrophobicContact CE2-CZ2 3.9Å; F229-W273 AromaticContact CE2-NE1 3.43Å; Y257-W273 HydrophobicContact CD1-CB 4.19Å; Y257-W273 HydrophobicContact CE1-CB 3.87Å; Y257-W273 HydrophobicContact CE2-CB 4.39Å; L270-W273 HydrophobicContact CD1-CD2 4.42Å; L270-W273 HydrophobicContact CD1-CE3 3.29Å; L270-W273 HydrophobicContact CD1-CZ3 3.56Å; L270-W273 HydrophobicContact CD2-CE3 4.48Å; L270-W273 HydrophobicContact CD2-CZ3 4.49Å; L270-W273 HydrophobicContact CG-CE3 3.72Å; L270-W273 HydrophobicContact CG-CZ3 4.15Å; L270-W273 WeakPolarHBondContact O-CA 3.34Å; L270-W273 WeakPolarHBondContact O-CB 3.45Å; L270-W273 PolarHBondContact O-N 3.31Å; L271-W273 PolarHBondContact O-N 3.1Å
274	V	75.8	Confident	78.5	Confident	45 Å²	45	52.6 Å²	52.6	27%	0.273	27%	0.273	S	S	.	.	H	α-helix	trans	-87.3	-35.1	-177.3	-164.1	0	0	0	0	112.2	V208 A212 L270 L271	V208-V274 HydrophobicContact CG1-CB 4.08Å; V208-V274 HydrophobicContact CG1-CG1 3.24Å; A212-V274 HydrophobicContact CB-CB 4.39Å; A212-V274 HydrophobicContact CB-CG1 4.01Å; A212-V274 HydrophobicContact CB-CG2 3.38Å; L270-V274 HydrophobicContact CD2-CG2 4.14Å; L270-V274 HydrophobicContact CG-CG2 3.88Å; L270-V274 WeakPolarHBondContact O-CG2 3.42Å; L270-V274 PolarHBondContact O-N 3.28Å; L270-V274 VanDerWaalsContact O-N 3.08Å; L271-V274 PolarHBondContact O-N 2.93Å
275	V	69.1	Low	78.1	Confident	28 Å²	28	50 Å²	50	17%	0.17	27%	0.265	C	S	.	.	S	Bend	trans	-99	119.6	176.3	174.2	0	0	0	0	108.5	E199 V208 L271 N277	E199-V275 HydrophobicContact CB-CG1 4Å; E199-V275 HydrophobicContact CB-CG2 4.1Å; V208-V275 HydrophobicContact CG1-CG2 4.35Å; L271-V275 HydrophobicContact CD1-CB 4.08Å; L271-V275 HydrophobicContact CD1-CG2 3.63Å; L271-V275 WeakPolarHBondContact O-CB 3.29Å; L271-V275 PolarHBondContact O-N 2.82Å; V275-N277 PolarHBondContact O-N 2.89Å
276	P	66.7	Low	78.1	Confident	68 Å²	68	50 Å²	50	44%	0.442	27%	0.265	S	S	.	.			trans	-52.4	132.4	174.1	-25	33.6	0	0	0	110.6	N278	P276-N278 PolarHBondContact O-N 3.44Å
277	N	67.4	Low	77.9	Confident	96 Å²	96	52.2 Å²	52.2	51%	0.513	28%	0.277	S	S	.	.			trans	-75.6	73.3	175.2	-175.6	10.4	0	0	0	110	V275 Q279 G280 I281	V275-N277 PolarHBondContact O-N 2.89Å; N277-Q279 PolarHBondContact O-N 3.25Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.38Å; N277-Q279 PolarHBondContact OD1-N 3.21Å; N277-G280 PolarHBondContact O-N 3.1Å; N277-G280 PolarHBondContact OD1-N 2.91Å; N277-I281 WeakPolarHBondContact O-CG1 3.38Å; N277-I281 PolarHBondContact O-N 3.02Å
278	N	69.3	Low	77.9	Confident	22 Å²	22	53.1 Å²	53.1	12%	0.118	28%	0.276	C	S	.	.	H	α-helix	trans	-54.3	-29.7	178.2	-69.7	-8.3	0	0	0	111.3	E200 P276 A282	E200-N278 PolarHBondContact OE1-ND2 3.36Å; P276-N278 PolarHBondContact O-N 3.44Å; N278-A282 WeakPolarHBondContact O-CB 3.44Å; N278-A282 PolarHBondContact O-N 3.09Å
279	Q	72.1	Confident	78	Confident	56 Å²	56	46 Å²	46	26%	0.262	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-46.9	175.7	-173.7	65	33.7	0	0	112.6	N277 A282 Q283	N277-Q279 PolarHBondContact O-N 3.25Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.38Å; N277-Q279 PolarHBondContact OD1-N 3.21Å; Q279-A282 PolarHBondContact O-N 3.24Å; Q279-Q283 WeakPolarHBondContact O-CB 3.28Å; Q279-Q283 VanDerWaalsContact O-CG 3.26Å; Q279-Q283 WeakPolarHBondContact O-CG 3.29Å; Q279-Q283 PolarHBondContact O-N 3.09Å
280	G	70.1	Confident	78.2	Confident	21 Å²	21	45.8 Å²	45.8	22%	0.216	24%	0.242	C	C	.	.	H	α-helix	trans	-66.8	-40.8	180	0	0	0	0	0	112	N277 Q283 E284	N277-G280 PolarHBondContact O-N 3.1Å; N277-G280 PolarHBondContact OD1-N 2.91Å; G280-Q283 PolarHBondContact O-N 2.83Å; G280-E284 WeakPolarHBondContact O-CB 3.29Å; G280-E284 PolarHBondContact O-N 2.96Å
281	I	74.4	Confident	78.3	Confident	51 Å²	51	52.4 Å²	52.4	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-51.6	174.2	-63.2	168.7	0	0	0	109.4	L44 N277 Q283 E284 E285	L44-I281 HydrophobicContact CD1-CD1 3.86Å; N277-I281 WeakPolarHBondContact O-CG1 3.38Å; N277-I281 PolarHBondContact O-N 3.02Å; I281-Q283 VanDerWaalsContact C-N 3.29Å; I281-Q283 PolarHBondContact O-N 3.34Å; I281-E284 PolarHBondContact O-N 3.29Å; I281-E284 VanDerWaalsContact O-N 3.16Å; I281-E285 HydrophobicContact CG2-CG 4.38Å; I281-E285 WeakPolarHBondContact O-CB 3.43Å; I281-E285 WeakPolarHBondContact O-CG 3.29Å; I281-E285 PolarHBondContact O-N 3.42Å
282	A	79.5	Confident	78.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-35.4	179.4	0	0	0	0	0	113.6	S87 I90 Q91 N278 Q279 A286	S87-A282 VanDerWaalsContact O-CB 3.32Å; S87-A282 WeakPolarHBondContact O-CB 3.39Å; I90-A282 HydrophobicContact CB-CB 3.93Å; I90-A282 HydrophobicContact CG2-CB 3.73Å; Q91-A282 HydrophobicContact CB-CB 4.17Å; N278-A282 WeakPolarHBondContact O-CB 3.44Å; N278-A282 PolarHBondContact O-N 3.09Å; Q279-A282 PolarHBondContact O-N 3.24Å; A282-A286 VanDerWaalsContact O-CB 3.25Å; A282-A286 WeakPolarHBondContact O-CB 3.08Å; A282-A286 PolarHBondContact O-N 3.35Å
283	Q	81.1	Confident	78.9	Confident	78 Å²	78	52.6 Å²	52.6	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-46.2	174.3	-79.1	174	-13	0	0	112.1	Q279 G280 I281 A286 L287	Q279-Q283 WeakPolarHBondContact O-CB 3.28Å; Q279-Q283 VanDerWaalsContact O-CG 3.26Å; Q279-Q283 WeakPolarHBondContact O-CG 3.29Å; Q279-Q283 PolarHBondContact O-N 3.09Å; G280-Q283 PolarHBondContact O-N 2.83Å; I281-Q283 VanDerWaalsContact C-N 3.29Å; I281-Q283 PolarHBondContact O-N 3.34Å; Q283-A286 PolarHBondContact O-N 2.95Å; Q283-L287 WeakPolarHBondContact O-CG 3.42Å; Q283-L287 PolarHBondContact O-N 3.39Å
284	E	79	Confident	79.5	Confident	75 Å²	75	50.9 Å²	50.9	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-43.8	179.3	179.2	153.6	-146	0	0	111.5	R35 G280 I281 L287 H288	R35-E284 IonicContact CZ-OE1 2.69Å; R35-E284 IonicContact CZ-OE2 3.37Å; R35-E284 VanDerWaalsContact NH1-CD 3.3Å; R35-E284 IonicContact NH1-OE1 2.67Å; R35-E284 PolarHBondContact NH1-OE1 3.26Å; R35-E284 IonicContact NH1-OE2 2.76Å; R35-E284 IonicContact NH2-OE1 3.02Å; R35-E284 PolarHBondContact NH2-OE1 3.02Å; R35-E284 IonicContact NH2-OE2 3.47Å; R35-E284 PolarHBondContact NH2-OE2 2.69Å; G280-E284 WeakPolarHBondContact O-CB 3.29Å; G280-E284 PolarHBondContact O-N 2.96Å; I281-E284 PolarHBondContact O-N 3.29Å; I281-E284 VanDerWaalsContact O-N 3.16Å; E284-L287 WeakPolarHBondContact O-CB 3.44Å; E284-L287 PolarHBondContact O-N 3.02Å; E284-L287 VanDerWaalsContact O-N 3.16Å; E284-H288 VanDerWaalsContact CG-CD2 3.47Å; E284-H288 WeakPolarHBondContact CG-CD2 3.31Å; E284-H288 VanDerWaalsContact CG-NE2 3.33Å; E284-H288 WeakPolarHBondContact CG-NE2 3.31Å; E284-H288 PolarHBondContact O-CD2 2.83Å; E284-H288 PolarHBondContact O-N 2.99Å; E284-H288 IonicContact OE1-NE2 3.81Å; E284-H288 PolarHBondContact OE1-NE2 2.85Å
285	E	81.9	Confident	80.1	Confident	48 Å²	48	54.3 Å²	54.3	22%	0.224	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-40.5	176.5	-71	-61.3	130.1	0	0	112.2	I90 I281 L287 H288 L289 E317	I90-E285 HydrophobicContact CD1-CB 4.16Å; I281-E285 HydrophobicContact CG2-CG 4.38Å; I281-E285 WeakPolarHBondContact O-CB 3.43Å; I281-E285 WeakPolarHBondContact O-CG 3.29Å; I281-E285 PolarHBondContact O-N 3.42Å; E285-L287 VanDerWaalsContact C-N 3.3Å; E285-L287 PolarHBondContact O-N 3.11Å; E285-H288 PolarHBondContact O-N 3.23Å; E285-L289 VanDerWaalsContact O-CB 3.3Å; E285-L289 WeakPolarHBondContact O-CB 3.3Å; E285-L289 PolarHBondContact O-N 2.97Å; E285-E317 WeakPolarHBondContact CG-OE2 3.42Å
286	A	87.2	Confident	81	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-41.2	172.1	0	0	0	0	0	111.9	E83 L86 I90 A282 Q283 I290	E83-A286 HydrophobicContact CG-CB 4.36Å; L86-A286 HydrophobicContact CB-CB 3.66Å; I90-A286 HydrophobicContact CD1-CB 4.27Å; A282-A286 VanDerWaalsContact O-CB 3.25Å; A282-A286 WeakPolarHBondContact O-CB 3.08Å; A282-A286 PolarHBondContact O-N 3.35Å; Q283-A286 PolarHBondContact O-N 2.95Å; A286-I290 WeakPolarHBondContact O-CD1 3.42Å; A286-I290 VanDerWaalsContact O-CG1 3.24Å; A286-I290 WeakPolarHBondContact O-CG1 3.35Å; A286-I290 PolarHBondContact O-N 3.43Å
287	L	86.1	Confident	82	Confident	86 Å²	86	56.8 Å²	56.8	45%	0.45	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-44.7	177.3	-75.1	171.1	0	0	0	112.4	E83 Q283 E284 E285 L289 I290 D291	E83-L287 HydrophobicContact CB-CD2 4.48Å; E83-L287 HydrophobicContact CG-CD2 3.73Å; E83-L287 HydrophobicContact CG-CG 3.88Å; Q283-L287 WeakPolarHBondContact O-CG 3.42Å; Q283-L287 PolarHBondContact O-N 3.39Å; E284-L287 WeakPolarHBondContact O-CB 3.44Å; E284-L287 PolarHBondContact O-N 3.02Å; E284-L287 VanDerWaalsContact O-N 3.16Å; E285-L287 VanDerWaalsContact C-N 3.3Å; E285-L287 PolarHBondContact O-N 3.11Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-I290 PolarHBondContact O-N 3.23Å; L287-D291 PolarHBondContact O-N 2.85Å
288	H	84.3	Confident	83.1	Confident	74 Å²	74	55.4 Å²	55.4	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-61.2	-44.7	175.6	-74.3	-63.2	0	0	0	111	R35 E284 E285 I290 D291 E292	R35-H288 PolarHBondContact NH1-NE2 2.76Å; E284-H288 VanDerWaalsContact CG-CD2 3.47Å; E284-H288 WeakPolarHBondContact CG-CD2 3.31Å; E284-H288 VanDerWaalsContact CG-NE2 3.33Å; E284-H288 WeakPolarHBondContact CG-NE2 3.31Å; E284-H288 PolarHBondContact O-CD2 2.83Å; E284-H288 PolarHBondContact O-N 2.99Å; E284-H288 IonicContact OE1-NE2 3.81Å; E284-H288 PolarHBondContact OE1-NE2 2.85Å; E285-H288 PolarHBondContact O-N 3.23Å; H288-I290 VanDerWaalsContact C-N 3.32Å; H288-I290 PolarHBondContact O-N 3.44Å; H288-D291 PolarHBondContact O-N 2.97Å; H288-E292 WeakPolarHBondContact O-CG 3.46Å; H288-E292 PolarHBondContact O-N 3.27Å
289	L	87.1	Confident	84	Confident	9 Å²	9	62.2 Å²	62.2	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-42.3	177.9	-174.4	61.1	0	0	0	112.1	L86 E285 L287 M293 L301 F313 A318	L86-L289 HydrophobicContact CD2-CD2 4.25Å; E285-L289 VanDerWaalsContact O-CB 3.3Å; E285-L289 WeakPolarHBondContact O-CB 3.3Å; E285-L289 PolarHBondContact O-N 2.97Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L289-M293 HydrophobicContact CD1-CG 4.14Å; L289-M293 HydrophobicContact CD1-SD 3.45Å; L289-M293 WeakPolarHBondContact CD1-SD 3.45Å; L289-M293 HydrophobicContact CG-SD 4.08Å; L289-M293 VanDerWaalsContact O-CB 3.31Å; L289-M293 WeakPolarHBondContact O-CB 3.49Å; L289-M293 WeakPolarHBondContact O-CG 3.42Å; L289-M293 PolarHBondContact O-N 3.39Å; L289-M293 VanDerWaalsContact O-N 3.12Å; L289-L301 HydrophobicContact CG-CD1 4.17Å; L289-F313 HydrophobicContact CD1-CD2 4.41Å; L289-F313 HydrophobicContact CD2-CD2 4.03Å; L289-F313 HydrophobicContact CD2-CE2 3.88Å; L289-A318 HydrophobicContact CD2-CB 3.53Å
290	I	88.8	Confident	84.9	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.062	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-46.2	174.9	-68.5	165.1	0	0	0	110.6	E83 L86 A286 L287 H288 E292 M293 D294 L301	E83-I290 HydrophobicContact CB-CD1 3.83Å; L86-I290 HydrophobicContact CD1-CD1 4.07Å; L86-I290 HydrophobicContact CD1-CG1 3.88Å; A286-I290 WeakPolarHBondContact O-CD1 3.42Å; A286-I290 VanDerWaalsContact O-CG1 3.24Å; A286-I290 WeakPolarHBondContact O-CG1 3.35Å; A286-I290 PolarHBondContact O-N 3.43Å; L287-I290 PolarHBondContact O-N 3.23Å; H288-I290 VanDerWaalsContact C-N 3.32Å; H288-I290 PolarHBondContact O-N 3.44Å; I290-E292 VanDerWaalsContact C-N 3.26Å; I290-E292 PolarHBondContact O-N 3.47Å; I290-M293 PolarHBondContact O-N 3.15Å; I290-D294 HydrophobicContact CG2-CB 4.05Å; I290-D294 WeakPolarHBondContact O-CB 3.49Å; I290-D294 PolarHBondContact O-N 3.29Å; I290-L301 HydrophobicContact CG1-CD1 4.25Å; I290-L301 HydrophobicContact CG1-CG 4.07Å
291	D	87.9	Confident	85.9	Confident	138 Å²	138	61.5 Å²	61.5	74%	0.738	32%	0.317	S	S	*	.	H	α-helix	trans	-61.6	-34.2	-178.7	-165.2	60	0	0	0	112.6	L287 H288	L287-D291 PolarHBondContact O-N 2.85Å; H288-D291 PolarHBondContact O-N 2.97Å
292	E	86.4	Confident	86.7	Confident	125 Å²	125	59.6 Å²	59.6	58%	0.584	31%	0.308	S	S	*	.	H	α-helix	trans	-80.1	-28	178.3	-67.2	-169.1	167.8	0	0	114	H288 I290 L312	H288-E292 WeakPolarHBondContact O-CG 3.46Å; H288-E292 PolarHBondContact O-N 3.27Å; I290-E292 VanDerWaalsContact C-N 3.26Å; I290-E292 PolarHBondContact O-N 3.47Å; E292-L312 HydrophobicContact CB-CD2 4.1Å
293	M	86	Confident	87.1	Confident	7 Å²	7	62.7 Å²	62.7	3%	0.034	32%	0.323	C	S	.	.	H	α-helix	trans	-108.8	-21.8	-171.2	-67.2	-170.1	72.1	0	0	115	L289 I290 L295 L301 I306 L312 F313	L289-M293 HydrophobicContact CD1-CG 4.14Å; L289-M293 HydrophobicContact CD1-SD 3.45Å; L289-M293 WeakPolarHBondContact CD1-SD 3.45Å; L289-M293 HydrophobicContact CG-SD 4.08Å; L289-M293 VanDerWaalsContact O-CB 3.31Å; L289-M293 WeakPolarHBondContact O-CB 3.49Å; L289-M293 WeakPolarHBondContact O-CG 3.42Å; L289-M293 PolarHBondContact O-N 3.39Å; L289-M293 VanDerWaalsContact O-N 3.12Å; I290-M293 PolarHBondContact O-N 3.15Å; M293-L295 PolarHBondContact O-N 2.87Å; M293-L301 HydrophobicContact CB-CD1 4.03Å; M293-L301 HydrophobicContact CB-CD2 3.47Å; M293-L301 VanDerWaalsContact CB-CD2 3.47Å; M293-L301 HydrophobicContact CB-CG 4.41Å; M293-L301 HydrophobicContact SD-CD1 4.21Å; M293-I306 HydrophobicContact CE-CB 4.17Å; M293-I306 HydrophobicContact CE-CG1 4.02Å; M293-I306 HydrophobicContact CE-CG2 4.3Å; M293-L312 HydrophobicContact CG-CD2 3.72Å; M293-L312 HydrophobicContact CG-CG 4.35Å; M293-F313 HydrophobicContact CE-CB 3.83Å; M293-F313 HydrophobicContact CE-CD2 4.03Å; M293-F313 HydrophobicContact CE-CG 4.39Å; M293-F313 HydrophobicContact SD-CB 3.96Å; M293-F313 HydrophobicContact SD-CD2 3.72Å; M293-F313 HydrophobicContact SD-CG 4.34Å
294	D	89.8	Confident	87.3	Confident	29 Å²	29	65.3 Å²	65.3	16%	0.155	34%	0.335	C	S	.	.			trans	-72.3	97.3	179.5	178.9	10.1	0	0	0	110.3	I290 N296 G297 D298 K299 L301	I290-D294 HydrophobicContact CG2-CB 4.05Å; I290-D294 WeakPolarHBondContact O-CB 3.49Å; I290-D294 PolarHBondContact O-N 3.29Å; D294-N296 PolarHBondContact OD1-N 3.18Å; D294-N296 VanDerWaalsContact OD1-N 3.15Å; D294-G297 WeakPolarHBondContact OD1-CA 3.36Å; D294-G297 PolarHBondContact OD1-N 3.09Å; D294-G297 WeakPolarHBondContact OD2-CA 3.39Å; D294-G297 PolarHBondContact OD2-N 2.74Å; D294-D298 PolarHBondContact OD1-N 2.98Å; D294-D298 PolarHBondContact OD2-N 3.35Å; D294-D298 VanDerWaalsContact OD2-N 3.12Å; D294-K299 VanDerWaalsContact OD2-CA 3.31Å; D294-K299 WeakPolarHBondContact OD2-CA 3.28Å; D294-K299 PolarHBondContact OD2-N 3.43Å; D294-L301 HydrophobicContact CB-CD2 4.13Å
295	L	87.3	Confident	87.7	Confident	117 Å²	117	62.5 Å²	62.5	61%	0.613	32%	0.322	S	S	*	.	S	Bend	trans	-79.8	-24.1	-179.4	-64.9	176.6	0	0	0	112.1	M293 E305 E308	M293-L295 PolarHBondContact O-N 2.87Å; L295-E305 HydrophobicContact CB-CG 4.4Å; L295-E305 HydrophobicContact CD1-CG 4.45Å; L295-E305 PolarHBondContact N-OE1 3.42Å; L295-E308 WeakPolarHBondContact CD1-OE2 3.22Å
296	N	88.9	Confident	87.9	Confident	90 Å²	90	60.2 Å²	60.2	48%	0.481	31%	0.311	S	S	.	.	S	Bend	trans	-99.8	-16	-170.7	86.5	54.8	0	0	0	112.9	D294 D298 E305	D294-N296 PolarHBondContact OD1-N 3.18Å; D294-N296 VanDerWaalsContact OD1-N 3.15Å; N296-D298 PolarHBondContact ND2-OD2 3.04Å; N296-D298 WeakPolarHBondContact OD1-CB 3.37Å; N296-D298 PolarHBondContact OD1-N 2.88Å; N296-D298 PolarHBondContact OD1-OD1 3.15Å; N296-D298 PolarHBondContact OD1-OD2 2.94Å; N296-E305 WeakPolarHBondContact CB-OE1 2.94Å; N296-E305 PolarHBondContact N-OE1 3.39Å; N296-E305 PolarHBondContact ND2-OE1 3.31Å
297	G	88	Confident	87.7	Confident	58 Å²	58	62.7 Å²	62.7	60%	0.598	32%	0.324	S	S	*	.	S	Bend	trans	79.3	20.8	176.3	0	0	0	0	0	114.5	D294 K299	D294-G297 WeakPolarHBondContact OD1-CA 3.36Å; D294-G297 PolarHBondContact OD1-N 3.09Å; D294-G297 WeakPolarHBondContact OD2-CA 3.39Å; D294-G297 PolarHBondContact OD2-N 2.74Å; G297-K299 VanDerWaalsContact C-N 3.3Å
298	D	89.4	Confident	87.7	Confident	68 Å²	68	65.5 Å²	65.5	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-86.1	-0.6	179	70.6	5.8	0	0	0	114	D294 N296 K300	D294-D298 PolarHBondContact OD1-N 2.98Å; D294-D298 PolarHBondContact OD2-N 3.35Å; D294-D298 VanDerWaalsContact OD2-N 3.12Å; N296-D298 PolarHBondContact ND2-OD2 3.04Å; N296-D298 WeakPolarHBondContact OD1-CB 3.37Å; N296-D298 PolarHBondContact OD1-N 2.88Å; N296-D298 PolarHBondContact OD1-OD1 3.15Å; N296-D298 PolarHBondContact OD1-OD2 2.94Å; D298-K300 PolarHBondContact O-N 2.84Å; D298-K300 PolarHBondContact OD1-N 3.39Å
299	K	89.6	Confident	87.6	Confident	165 Å²	165	65.6 Å²	65.6	72%	0.717	34%	0.338	S	S	*	.	S	Bend	trans	63.2	25.8	-178.4	-53.5	-174.9	171	-160.9	0	113.8	D294 G297	D294-K299 VanDerWaalsContact OD2-CA 3.31Å; D294-K299 WeakPolarHBondContact OD2-CA 3.28Å; D294-K299 PolarHBondContact OD2-N 3.43Å; G297-K299 VanDerWaalsContact C-N 3.3Å
300	K	91.1	Very high	87.2	Confident	61 Å²	61	67.2 Å²	67.2	27%	0.265	35%	0.349	S	S	.	.	S	Bend	trans	-132.9	159.2	172.7	-58.2	-172.7	166.8	-148.9	0	108.6	D78 F80 L81 T82 D298	D78-K300 IonicContact OD2-NZ 3.02Å; D78-K300 PolarHBondContact OD2-NZ 2.81Å; F80-K300 HydrophobicContact CB-CB 4.08Å; F80-K300 HydrophobicContact CB-CD 3.81Å; F80-K300 HydrophobicContact CD1-CB 4.41Å; F80-K300 HydrophobicContact CG-CD 4.23Å; L81-K300 WeakPolarHBondContact O-CA 3.06Å; T82-K300 HydrophobicContact CG2-CD 4.02Å; T82-K300 HydrophobicContact CG2-CG 4.18Å; D298-K300 PolarHBondContact O-N 2.84Å; D298-K300 PolarHBondContact OD1-N 3.39Å
301	L	90.3	Very high	86.7	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.7	173.9	-60.7	-179.1	0	0	0	110.5	F80 L81 L86 L289 I290 M293 D294 I306	F80-L301 CarbonylContact C-O 3.59Å; F80-L301 WeakPolarHBondContact CA-O 3.29Å; L81-L301 HydrophobicContact CB-CB 4.28Å; L81-L301 PolarHBondContact N-O 3.48Å; L81-L301 PolarHBondContact O-N 3.36Å; L86-L301 HydrophobicContact CD1-CD1 4.07Å; L289-L301 HydrophobicContact CG-CD1 4.17Å; I290-L301 HydrophobicContact CG1-CD1 4.25Å; I290-L301 HydrophobicContact CG1-CG 4.07Å; M293-L301 HydrophobicContact CB-CD1 4.03Å; M293-L301 HydrophobicContact CB-CD2 3.47Å; M293-L301 VanDerWaalsContact CB-CD2 3.47Å; M293-L301 HydrophobicContact CB-CG 4.41Å; M293-L301 HydrophobicContact SD-CD1 4.21Å; D294-L301 HydrophobicContact CB-CD2 4.13Å; L301-I306 HydrophobicContact CB-CD1 4.13Å; L301-I306 HydrophobicContact CB-CG1 4.17Å
302	S	90.4	Very high	86.3	Confident	11 Å²	11	66.9 Å²	66.9	8%	0.077	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	157.6	170.3	61	0	0	0	0	111.9	E304 E305 I306	S302-E304 PolarHBondContact O-N 3.49Å; S302-E305 WeakPolarHBondContact CB-OE2 3.05Å; S302-E305 PolarHBondContact N-OE2 3.08Å; S302-E305 PolarHBondContact O-N 2.96Å; S302-E305 VanDerWaalsContact OG-CG 3.29Å; S302-E305 WeakPolarHBondContact OG-CG 3.5Å; S302-E305 PolarHBondContact OG-N 3.32Å; S302-E305 PolarHBondContact OG-OE2 2.83Å; S302-I306 WeakPolarHBondContact O-CG1 3.35Å; S302-I306 PolarHBondContact O-N 2.94Å; S302-I306 VanDerWaalsContact O-N 3.13Å
303	E	87.6	Confident	86	Confident	66 Å²	66	61 Å²	61	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-56.6	-37.7	173.8	-170.9	-175.3	163.9	0	0	111	Q67 I70 I306 L307	Q67-E303 WeakPolarHBondContact CG-OE1 3.39Å; Q67-E303 PolarHBondContact NE2-OE1 2.87Å; I70-E303 HydrophobicContact CD1-CG 4.34Å; E303-I306 PolarHBondContact O-N 2.92Å; E303-L307 HydrophobicContact CG-CD1 3.95Å; E303-L307 HydrophobicContact CG-CG 4.28Å; E303-L307 WeakPolarHBondContact O-CB 3.38Å; E303-L307 VanDerWaalsContact O-CG 3.23Å; E303-L307 WeakPolarHBondContact O-CG 3.45Å; E303-L307 PolarHBondContact O-N 3.43Å
304	E	86.4	Confident	85.6	Confident	133 Å²	133	61.6 Å²	61.6	62%	0.621	32%	0.323	S	S	*	.	H	α-helix	trans	-62.1	-44.8	177.6	-67	82.4	-177.3	0	0	112.7	S302 I306 L307 E308	S302-E304 PolarHBondContact O-N 3.49Å; E304-I306 VanDerWaalsContact C-N 3.32Å; E304-I306 PolarHBondContact O-N 3.05Å; E304-L307 PolarHBondContact O-N 3.02Å; E304-E308 WeakPolarHBondContact O-CG 3.36Å; E304-E308 PolarHBondContact O-N 3.21Å
305	E	87.4	Confident	84.8	Confident	15 Å²	15	64.3 Å²	64.3	7%	0.07	34%	0.341	C	S	.	.	H	α-helix	trans	-63.4	-39.5	177.9	-75.8	160.4	153.1	0	0	111.6	L295 N296 S302 L307 E308	L295-E305 HydrophobicContact CB-CG 4.4Å; L295-E305 HydrophobicContact CD1-CG 4.45Å; L295-E305 PolarHBondContact N-OE1 3.42Å; N296-E305 WeakPolarHBondContact CB-OE1 2.94Å; N296-E305 PolarHBondContact N-OE1 3.39Å; N296-E305 PolarHBondContact ND2-OE1 3.31Å; S302-E305 WeakPolarHBondContact CB-OE2 3.05Å; S302-E305 PolarHBondContact N-OE2 3.08Å; S302-E305 PolarHBondContact O-N 2.96Å; S302-E305 VanDerWaalsContact OG-CG 3.29Å; S302-E305 WeakPolarHBondContact OG-CG 3.5Å; S302-E305 PolarHBondContact OG-N 3.32Å; S302-E305 PolarHBondContact OG-OE2 2.83Å; E305-L307 VanDerWaalsContact C-N 3.35Å; E305-E308 PolarHBondContact O-N 3.01Å
306	I	85.2	Confident	84.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-38.3	176.8	-60.7	165.5	0	0	0	111.3	L66 I70 L81 M293 L301 S302 E303 E304 E308 N309 P310 F313	L66-I306 HydrophobicContact CD1-CG2 4.46Å; L66-I306 HydrophobicContact CD2-CG2 4.2Å; I70-I306 HydrophobicContact CD1-CB 4.14Å; I70-I306 HydrophobicContact CD1-CD1 3.94Å; I70-I306 HydrophobicContact CD1-CG2 3.73Å; I70-I306 HydrophobicContact CG1-CD1 4.06Å; I70-I306 HydrophobicContact CG1-CG2 4.49Å; L81-I306 HydrophobicContact CD1-CD1 3.54Å; L81-I306 HydrophobicContact CG-CD1 4.21Å; M293-I306 HydrophobicContact CE-CB 4.17Å; M293-I306 HydrophobicContact CE-CG1 4.02Å; M293-I306 HydrophobicContact CE-CG2 4.3Å; L301-I306 HydrophobicContact CB-CD1 4.13Å; L301-I306 HydrophobicContact CB-CG1 4.17Å; S302-I306 WeakPolarHBondContact O-CG1 3.35Å; S302-I306 PolarHBondContact O-N 2.94Å; S302-I306 VanDerWaalsContact O-N 3.13Å; E303-I306 PolarHBondContact O-N 2.92Å; E304-I306 VanDerWaalsContact C-N 3.32Å; E304-I306 PolarHBondContact O-N 3.05Å; I306-E308 VanDerWaalsContact C-N 3.35Å; I306-N309 CarbonylContact O-C 3.55Å; I306-N309 VanDerWaalsContact O-C 3.32Å; I306-P310 WeakPolarHBondContact O-CA 3.23Å; I306-F313 HydrophobicContact CD1-CD2 4.42Å; I306-F313 HydrophobicContact CD1-CE2 4.08Å; I306-F313 HydrophobicContact CG1-CD2 4.18Å; I306-F313 HydrophobicContact CG1-CE2 4.32Å; I306-F313 HydrophobicContact CG2-CB 4Å; I306-F313 HydrophobicContact CG2-CD1 4.12Å; I306-F313 HydrophobicContact CG2-CD2 3.93Å; I306-F313 HydrophobicContact CG2-CE2 4.43Å; I306-F313 HydrophobicContact CG2-CG 3.75Å
307	L	83.8	Confident	83.4	Confident	52 Å²	52	56.3 Å²	56.3	27%	0.272	30%	0.299	S	S	.	.	H	α-helix	trans	-75.8	-18.8	178.3	-70.3	178.4	0	0	0	113.9	Q63 E303 E304 E305	Q63-L307 HydrophobicContact CG-CD2 3.78Å; E303-L307 HydrophobicContact CG-CD1 3.95Å; E303-L307 HydrophobicContact CG-CG 4.28Å; E303-L307 WeakPolarHBondContact O-CB 3.38Å; E303-L307 VanDerWaalsContact O-CG 3.23Å; E303-L307 WeakPolarHBondContact O-CG 3.45Å; E303-L307 PolarHBondContact O-N 3.43Å; E304-L307 PolarHBondContact O-N 3.02Å; E305-L307 VanDerWaalsContact C-N 3.35Å
308	E	85.9	Confident	82.6	Confident	145 Å²	145	53.6 Å²	53.6	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-70.2	-37	173	-78.9	-161.6	177.6	0	0	112.1	L295 E304 E305 I306	L295-E308 WeakPolarHBondContact CD1-OE2 3.22Å; E304-E308 WeakPolarHBondContact O-CG 3.36Å; E304-E308 PolarHBondContact O-N 3.21Å; E305-E308 PolarHBondContact O-N 3.01Å; I306-E308 VanDerWaalsContact C-N 3.35Å
309	N	82.3	Confident	81.7	Confident	76 Å²	76	50.4 Å²	50.4	41%	0.406	25%	0.254	S	S	.	.	S	Bend	trans	-133	70.3	175.9	-162.7	-1	0	0	0	111.9	I306 D311 L312	I306-N309 CarbonylContact O-C 3.55Å; I306-N309 VanDerWaalsContact O-C 3.32Å; N309-D311 PolarHBondContact O-N 3.1Å; N309-L312 HydrophobicContact CB-CB 4.36Å; N309-L312 PolarHBondContact O-N 3.13Å
310	P	79.8	Confident	80.8	Confident	43 Å²	43	42.9 Å²	42.9	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-66.3	-31.4	-175.9	27.8	-34.5	0	0	0	111.5	L66 I306 L312 F313 L314	L66-P310 HydrophobicContact CD2-CB 3.94Å; I306-P310 WeakPolarHBondContact O-CA 3.23Å; P310-L312 VanDerWaalsContact C-N 3.3Å; P310-L312 PolarHBondContact O-N 3.23Å; P310-F313 PolarHBondContact O-N 2.93Å; P310-L314 WeakPolarHBondContact O-CB 3.32Å; P310-L314 WeakPolarHBondContact O-CG 3.33Å; P310-L314 PolarHBondContact O-N 3.43Å
311	D	77.2	Confident	79.5	Confident	102 Å²	102	44.8 Å²	44.8	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-39.4	-179.9	-68.8	-29.2	0	0	0	111.2	N309 L314 T315	N309-D311 PolarHBondContact O-N 3.1Å; D311-L314 PolarHBondContact O-N 3.39Å; D311-T315 WeakPolarHBondContact O-CG2 3.43Å; D311-T315 PolarHBondContact O-N 3.26Å; D311-T315 PolarHBondContact O-OG1 3.01Å
312	L	79.8	Confident	78.1	Confident	42 Å²	42	45.3 Å²	45.3	22%	0.22	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-46.5	179.1	-175	63.6	0	0	0	111.9	E292 M293 N309 P310 L314 T315 S316	E292-L312 HydrophobicContact CB-CD2 4.1Å; M293-L312 HydrophobicContact CG-CD2 3.72Å; M293-L312 HydrophobicContact CG-CG 4.35Å; N309-L312 HydrophobicContact CB-CB 4.36Å; N309-L312 PolarHBondContact O-N 3.13Å; P310-L312 VanDerWaalsContact C-N 3.3Å; P310-L312 PolarHBondContact O-N 3.23Å; L312-L314 VanDerWaalsContact C-N 3.31Å; L312-L314 PolarHBondContact O-N 3.03Å; L312-T315 WeakPolarHBondContact CA-OG1 3.43Å; L312-T315 PolarHBondContact O-N 2.96Å; L312-T315 PolarHBondContact O-OG1 3.4Å; L312-S316 PolarHBondContact O-N 2.87Å; L312-S316 VanDerWaalsContact O-N 3.15Å
313	F	80.9	Confident	77.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-39.3	175.6	-165.6	-92.4	0	0	0	111.7	L66 I73 L81 L86 L289 M293 I306 P310 T315 S316 A318 T319	L66-F313 HydrophobicContact CD1-CD1 3.42Å; L66-F313 VanDerWaalsContact CD1-CD1 3.42Å; L66-F313 HydrophobicContact CD1-CE1 3.64Å; L66-F313 HydrophobicContact CD1-CG 4.47Å; I73-F313 HydrophobicContact CD1-CE1 4.49Å; I73-F313 HydrophobicContact CD1-CZ 3.9Å; L81-F313 HydrophobicContact CD1-CE2 4.35Å; L81-F313 HydrophobicContact CD1-CZ 4.28Å; L86-F313 HydrophobicContact CD2-CE2 4.34Å; L289-F313 HydrophobicContact CD1-CD2 4.41Å; L289-F313 HydrophobicContact CD2-CD2 4.03Å; L289-F313 HydrophobicContact CD2-CE2 3.88Å; M293-F313 HydrophobicContact CE-CB 3.83Å; M293-F313 HydrophobicContact CE-CD2 4.03Å; M293-F313 HydrophobicContact CE-CG 4.39Å; M293-F313 HydrophobicContact SD-CB 3.96Å; M293-F313 HydrophobicContact SD-CD2 3.72Å; M293-F313 HydrophobicContact SD-CG 4.34Å; I306-F313 HydrophobicContact CD1-CD2 4.42Å; I306-F313 HydrophobicContact CD1-CE2 4.08Å; I306-F313 HydrophobicContact CG1-CD2 4.18Å; I306-F313 HydrophobicContact CG1-CE2 4.32Å; I306-F313 HydrophobicContact CG2-CB 4Å; I306-F313 HydrophobicContact CG2-CD1 4.12Å; I306-F313 HydrophobicContact CG2-CD2 3.93Å; I306-F313 HydrophobicContact CG2-CE2 4.43Å; I306-F313 HydrophobicContact CG2-CG 3.75Å; P310-F313 PolarHBondContact O-N 2.93Å; F313-T315 VanDerWaalsContact C-N 3.31Å; F313-T315 PolarHBondContact O-N 3.25Å; F313-S316 WeakPolarHBondContact O-CB 3.45Å; F313-S316 PolarHBondContact O-N 3.45Å; F313-S316 PolarHBondContact O-OG 2.74Å; F313-A318 HydrophobicContact CE2-CB 4.36Å; F313-A318 HydrophobicContact CZ-CB 4.17Å; F313-T319 HydrophobicContact CD1-CG2 3.53Å; F313-T319 HydrophobicContact CE1-CG2 3.43Å; F313-T319 VanDerWaalsContact CE1-CG2 3.43Å; F313-T319 PolarHBondContact O-OG1 2.84Å; F313-T319 VanDerWaalsContact O-OG1 3.13Å
314	L	76.9	Confident	76.4	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-25.9	176.9	-69.9	-179.2	0	0	0	113.5	L66 P310 D311 L312 S316 T319 Y321 G322 L325	L66-L314 HydrophobicContact CD1-CD2 4.14Å; P310-L314 WeakPolarHBondContact O-CB 3.32Å; P310-L314 WeakPolarHBondContact O-CG 3.33Å; P310-L314 PolarHBondContact O-N 3.43Å; D311-L314 PolarHBondContact O-N 3.39Å; L312-L314 VanDerWaalsContact C-N 3.31Å; L312-L314 PolarHBondContact O-N 3.03Å; L314-S316 VanDerWaalsContact C-N 3.32Å; L314-T319 VanDerWaalsContact CA-OG1 3.3Å; L314-T319 WeakPolarHBondContact CA-OG1 3.31Å; L314-T319 HydrophobicContact CD2-CG2 4.24Å; L314-T319 PolarHBondContact O-OG1 3.43Å; L314-Y321 CarbonylContact O-C 3.32Å; L314-Y321 VanDerWaalsContact O-CA 3.28Å; L314-Y321 WeakPolarHBondContact O-CA 3.37Å; L314-G322 PolarHBondContact O-N 2.91Å; L314-L325 HydrophobicContact CD1-CD1 3.97Å; L314-L325 HydrophobicContact CD2-CD1 3.41Å; L314-L325 VanDerWaalsContact CD2-CD1 3.41Å; L314-L325 HydrophobicContact CD2-CD2 4.14Å; L314-L325 HydrophobicContact CD2-CG 3.88Å; L314-L325 HydrophobicContact CG-CD1 4.26Å
315	T	72.2	Confident	75.5	Confident	87 Å²	87	38.1 Å²	38.1	53%	0.534	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.4	173.6	53.6	0	0	0	0	113.3	D311 L312 F313 Y321	D311-T315 WeakPolarHBondContact O-CG2 3.43Å; D311-T315 PolarHBondContact O-N 3.26Å; D311-T315 PolarHBondContact O-OG1 3.01Å; L312-T315 WeakPolarHBondContact CA-OG1 3.43Å; L312-T315 PolarHBondContact O-N 2.96Å; L312-T315 PolarHBondContact O-OG1 3.4Å; F313-T315 VanDerWaalsContact C-N 3.31Å; F313-T315 PolarHBondContact O-N 3.25Å; T315-Y321 WeakPolarHBondContact O-CD1 3.31Å; T315-Y321 VanDerWaalsContact O-CE1 3.3Å; T315-Y321 WeakPolarHBondContact O-CE1 3.48Å
316	S	76.3	Confident	74.6	Confident	18 Å²	18	40.2 Å²	40.2	13%	0.126	21%	0.206	C	C	.	.	S	Bend	trans	-89.4	162.2	178	77.5	0	0	0	0	112	L312 F313 L314 A318 T319 Y321	L312-S316 PolarHBondContact O-N 2.87Å; L312-S316 VanDerWaalsContact O-N 3.15Å; F313-S316 WeakPolarHBondContact O-CB 3.45Å; F313-S316 PolarHBondContact O-N 3.45Å; F313-S316 PolarHBondContact O-OG 2.74Å; L314-S316 VanDerWaalsContact C-N 3.32Å; S316-A318 PolarHBondContact O-N 2.67Å; S316-A318 WeakPolarHBondContact OG-CB 3.19Å; S316-A318 PolarHBondContact OG-N 3.4Å; S316-T319 PolarHBondContact O-N 2.94Å; S316-T319 PolarHBondContact O-OG1 2.71Å; S316-Y321 PolarHBondContact O-N 3.05Å; S316-Y321 VanDerWaalsContact O-N 3.11Å
317	E	71.6	Confident	73.9	Confident	21 Å²	21	42 Å²	42	10%	0.098	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-63.3	-20.7	173.6	-62.4	-154.3	154.1	0	0	113	F94 E285 T319 D320 Y321	F94-E317 WeakPolarHBondContact CZ-OE2 3.47Å; E285-E317 WeakPolarHBondContact CG-OE2 3.42Å; E317-T319 PolarHBondContact O-N 3.43Å; E317-T319 VanDerWaalsContact O-N 3.11Å; E317-D320 PolarHBondContact O-N 3.42Å; E317-Y321 HydrophobicContact CG-CE2 3.95Å; E317-Y321 WeakPolarHBondContact CG-OH 3.27Å; E317-Y321 PolarHBondContact OE1-OH 3.03Å
318	A	71.6	Confident	73.2	Confident	1 Å²	1	44 Å²	44	1%	0.008	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60	-24.6	175.1	0	0	0	0	0	113.3	L86 W89 I90 L289 F313 S316 Q324	L86-A318 HydrophobicContact CD2-CB 4.39Å; W89-A318 VanDerWaalsContact CD1-O 3.27Å; W89-A318 PolarHBondContact NE1-O 2.84Å; I90-A318 HydrophobicContact CD1-CB 4.4Å; I90-A318 HydrophobicContact CG1-CB 4.22Å; L289-A318 HydrophobicContact CD2-CB 3.53Å; F313-A318 HydrophobicContact CE2-CB 4.36Å; F313-A318 HydrophobicContact CZ-CB 4.17Å; S316-A318 PolarHBondContact O-N 2.67Å; S316-A318 WeakPolarHBondContact OG-CB 3.19Å; S316-A318 PolarHBondContact OG-N 3.4Å; A318-Q324 PolarHBondContact O-NE2 3.48Å; A318-Q324 VanDerWaalsContact O-NE2 3.13Å; A318-Q324 PolarHBondContact O-OE1 3.06Å; A318-Q324 VanDerWaalsContact O-OE1 3.08Å
319	T	69.3	Low	72.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-114.5	12	174	63.8	0	0	0	0	113.6	F313 L314 S316 E317 Y321 G322 R323 Q324	F313-T319 HydrophobicContact CD1-CG2 3.53Å; F313-T319 HydrophobicContact CE1-CG2 3.43Å; F313-T319 VanDerWaalsContact CE1-CG2 3.43Å; F313-T319 PolarHBondContact O-OG1 2.84Å; F313-T319 VanDerWaalsContact O-OG1 3.13Å; L314-T319 VanDerWaalsContact CA-OG1 3.3Å; L314-T319 WeakPolarHBondContact CA-OG1 3.31Å; L314-T319 HydrophobicContact CD2-CG2 4.24Å; L314-T319 PolarHBondContact O-OG1 3.43Å; S316-T319 PolarHBondContact O-N 2.94Å; S316-T319 PolarHBondContact O-OG1 2.71Å; E317-T319 PolarHBondContact O-N 3.43Å; E317-T319 VanDerWaalsContact O-N 3.11Å; T319-Y321 VanDerWaalsContact C-N 3.31Å; T319-Y321 PolarHBondContact O-N 3.31Å; T319-G322 CarbonylContact O-C 3Å; T319-G322 PolarHBondContact O-N 2.87Å; T319-G322 VanDerWaalsContact O-N 3.08Å; T319-G322 PolarHBondContact OG1-N 3Å; T319-R323 PolarHBondContact O-N 3.41Å; T319-Q324 VanDerWaalsContact C-CD 3.48Å; T319-Q324 VanDerWaalsContact CA-CD 3.46Å; T319-Q324 WeakPolarHBondContact O-CB 3.48Å; T319-Q324 WeakPolarHBondContact O-CG 3.19Å; T319-Q324 PolarHBondContact O-N 2.89Å; T319-Q324 VanDerWaalsContact O-N 3.17Å
320	D	70.1	Confident	72.1	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.037	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	55.1	-168	-176.4	35.1	0	0	0	111.4	Y97 E317 G322 R323 Q324	Y97-D320 HydrophobicContact CD2-CB 4.32Å; Y97-D320 HydrophobicContact CE2-CB 3.63Å; Y97-D320 WeakPolarHBondContact CE2-OD2 3.43Å; E317-D320 PolarHBondContact O-N 3.42Å; D320-G322 PolarHBondContact O-N 2.9Å; D320-R323 HydrophobicContact CB-CB 4.11Å; D320-R323 VanDerWaalsContact O-CB 3.23Å; D320-R323 WeakPolarHBondContact O-CB 3.4Å; D320-R323 PolarHBondContact O-N 2.72Å; D320-R323 VanDerWaalsContact OD2-CB 3.29Å; D320-R323 WeakPolarHBondContact OD2-CB 3.49Å; D320-R323 WeakPolarHBondContact OD2-CD 3.46Å; D320-R323 IonicContact OD2-CZ 3.25Å; D320-R323 IonicContact OD2-NE 3.18Å; D320-R323 PolarHBondContact OD2-NE 3.37Å; D320-R323 VanDerWaalsContact OD2-NE 3.1Å; D320-Q324 HydrophobicContact CB-CG 4.31Å
321	Y	65.3	Low	71.5	Confident	101 Å²	101	38.2 Å²	38.2	40%	0.396	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	30.5	-179.6	-52.6	-83.2	0	0	0	113.4	L314 T315 S316 E317 T319	L314-Y321 CarbonylContact O-C 3.32Å; L314-Y321 VanDerWaalsContact O-CA 3.28Å; L314-Y321 WeakPolarHBondContact O-CA 3.37Å; T315-Y321 WeakPolarHBondContact O-CD1 3.31Å; T315-Y321 VanDerWaalsContact O-CE1 3.3Å; T315-Y321 WeakPolarHBondContact O-CE1 3.48Å; S316-Y321 PolarHBondContact O-N 3.05Å; S316-Y321 VanDerWaalsContact O-N 3.11Å; E317-Y321 HydrophobicContact CG-CE2 3.95Å; E317-Y321 WeakPolarHBondContact CG-OH 3.27Å; E317-Y321 PolarHBondContact OE1-OH 3.03Å; T319-Y321 VanDerWaalsContact C-N 3.31Å; T319-Y321 PolarHBondContact O-N 3.31Å
322	G	60.4	Low	70.8	Confident	12 Å²	12	38.4 Å²	38.4	12%	0.124	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-0.2	179.3	0	0	0	0	0	114.7	L314 T319 D320 Q324 L325	L314-G322 PolarHBondContact O-N 2.91Å; T319-G322 CarbonylContact O-C 3Å; T319-G322 PolarHBondContact O-N 2.87Å; T319-G322 VanDerWaalsContact O-N 3.08Å; T319-G322 PolarHBondContact OG1-N 3Å; D320-G322 PolarHBondContact O-N 2.9Å; G322-Q324 PolarHBondContact O-N 3.16Å; G322-L325 WeakPolarHBondContact O-CB 3.25Å; G322-L325 PolarHBondContact O-N 2.61Å; G322-L325 VanDerWaalsContact O-N 3.15Å
323	R	71.6	Confident	69.2	Low	53 Å²	53	43 Å²	43	20%	0.2	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.8	-37.2	174.3	-171.5	-179.4	-61.1	-155.1	-3.3	111.2	Y54 Y97 E101 T319 D320 L325 H326	Y54-R323 WeakPolarHBondContact OH-CG 3.12Å; Y97-R323 HydrophobicContact CE1-CG 3.84Å; E101-R323 IonicContact OE1-NH1 3.53Å; T319-R323 PolarHBondContact O-N 3.41Å; D320-R323 HydrophobicContact CB-CB 4.11Å; D320-R323 VanDerWaalsContact O-CB 3.23Å; D320-R323 WeakPolarHBondContact O-CB 3.4Å; D320-R323 PolarHBondContact O-N 2.72Å; D320-R323 VanDerWaalsContact OD2-CB 3.29Å; D320-R323 WeakPolarHBondContact OD2-CB 3.49Å; D320-R323 WeakPolarHBondContact OD2-CD 3.46Å; D320-R323 IonicContact OD2-CZ 3.25Å; D320-R323 IonicContact OD2-NE 3.18Å; D320-R323 PolarHBondContact OD2-NE 3.37Å; D320-R323 VanDerWaalsContact OD2-NE 3.1Å; R323-L325 PolarHBondContact O-N 3.15Å; R323-H326 PolarHBondContact O-N 2.82Å
324	Q	71.1	Confident	67.4	Low	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63	-23.5	179.9	-68.2	177	18.6	0	0	113.5	I69 W89 S93 Y97 A318 T319 D320 G322 H326 D327 F330	I69-Q324 HydrophobicContact CD1-CB 4.12Å; W89-Q324 VanDerWaalsContact NE1-OE1 3.12Å; S93-Q324 PolarHBondContact OG-NE2 3.16Å; Y97-Q324 HydrophobicContact CE2-CG 3.98Å; Y97-Q324 WeakPolarHBondContact OH-CA 3.48Å; Y97-Q324 WeakPolarHBondContact OH-CG 3.2Å; Y97-Q324 PolarHBondContact OH-N 2.8Å; Y97-Q324 VanDerWaalsContact OH-N 3.12Å; A318-Q324 PolarHBondContact O-NE2 3.48Å; A318-Q324 VanDerWaalsContact O-NE2 3.13Å; A318-Q324 PolarHBondContact O-OE1 3.06Å; A318-Q324 VanDerWaalsContact O-OE1 3.08Å; T319-Q324 VanDerWaalsContact C-CD 3.48Å; T319-Q324 VanDerWaalsContact CA-CD 3.46Å; T319-Q324 WeakPolarHBondContact O-CB 3.48Å; T319-Q324 WeakPolarHBondContact O-CG 3.19Å; T319-Q324 PolarHBondContact O-N 2.89Å; T319-Q324 VanDerWaalsContact O-N 3.17Å; D320-Q324 HydrophobicContact CB-CG 4.31Å; G322-Q324 PolarHBondContact O-N 3.16Å; Q324-H326 PolarHBondContact O-N 2.93Å; Q324-D327 PolarHBondContact O-N 3.18Å; Q324-F330 HydrophobicContact CB-CB 4.47Å; Q324-F330 HydrophobicContact CB-CD2 4.16Å; Q324-F330 HydrophobicContact CB-CG 4.31Å; Q324-F330 HydrophobicContact CG-CD2 4.07Å; Q324-F330 HydrophobicContact CG-CE2 4.11Å; Q324-F330 HydrophobicContact CG-CG 4.31Å; Q324-F330 HydrophobicContact CG-CZ 4.38Å
325	L	66.9	Low	65.2	Low	5 Å²	5	62.1 Å²	62.1	3%	0.026	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-69.4	-18	176.1	-71.9	169.4	0	0	0	113.4	L57 R65 I69 L314 G322 R323 Y331	L57-L325 HydrophobicContact CD1-CB 4.3Å; R65-L325 HydrophobicContact CB-CD2 3.6Å; R65-L325 WeakPolarHBondContact CD-O 3.38Å; R65-L325 PolarHBondContact NH1-O 3.3Å; I69-L325 HydrophobicContact CD1-CD2 4.16Å; L314-L325 HydrophobicContact CD1-CD1 3.97Å; L314-L325 HydrophobicContact CD2-CD1 3.41Å; L314-L325 VanDerWaalsContact CD2-CD1 3.41Å; L314-L325 HydrophobicContact CD2-CD2 4.14Å; L314-L325 HydrophobicContact CD2-CG 3.88Å; L314-L325 HydrophobicContact CG-CD1 4.26Å; G322-L325 WeakPolarHBondContact O-CB 3.25Å; G322-L325 PolarHBondContact O-N 2.61Å; G322-L325 VanDerWaalsContact O-N 3.15Å; R323-L325 PolarHBondContact O-N 3.15Å; L325-Y331 WeakPolarHBondContact O-CE1 3.41Å
326	H	68.4	Low	64.8	Low	60 Å²	60	60.9 Å²	60.9	28%	0.278	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-103.2	-9.2	-176.3	-71.5	-82	0	0	0	113.2	Y54 V55 R323 Q324	Y54-H326 HydrophobicContact CD1-CB 3.89Å; Y54-H326 AromaticContact CD1-CD2 3.28Å; Y54-H326 WeakPolarHBondContact CD1-CD2 3.29Å; Y54-H326 AromaticContact CD1-CG 3.4Å; Y54-H326 AromaticContact CD1-ND1 3.88Å; Y54-H326 AromaticContact CD1-NE2 3.73Å; Y54-H326 HydrophobicContact CE1-CB 3.86Å; Y54-H326 AromaticContact CE1-CD2 3.98Å; Y54-H326 AromaticContact CE1-CG 3.9Å; Y54-H326 AromaticContact CG-CD2 3.86Å; Y54-H326 AromaticContact CG-NE2 3.99Å; V55-H326 PolarHBondContact O-CE1 2.7Å; R323-H326 PolarHBondContact O-N 2.82Å; Q324-H326 PolarHBondContact O-N 2.93Å
327	D	70.2	Confident	64.2	Low	38 Å²	38	63.2 Å²	63.2	20%	0.203	30%	0.303	C	S	.	.			trans	-100.6	113.2	-178.7	-177.6	-14.3	0	0	0	111	H96 Q324 Y329 F330 Y331	H96-D327 IonicContact CE1-OD2 3.83Å; H96-D327 PolarHBondContact CE1-OD2 3.03Å; H96-D327 IonicContact ND1-OD2 2.65Å; Q324-D327 PolarHBondContact O-N 3.18Å; D327-Y329 PolarHBondContact O-N 2.77Å; D327-Y329 VanDerWaalsContact O-N 3.09Å; D327-Y329 VanDerWaalsContact OD1-CB 3.22Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.18Å; D327-Y329 PolarHBondContact OD1-N 3.23Å; D327-F330 HydrophobicContact CB-CD2 3.81Å; D327-F330 HydrophobicContact CB-CE2 4.24Å; D327-F330 PolarHBondContact O-N 2.64Å; D327-F330 WeakPolarHBondContact OD2-CE2 3.13Å; D327-Y331 WeakPolarHBondContact O-CD1 3.24Å; D327-Y331 WeakPolarHBondContact O-CE1 2.81Å
328	D	70.3	Confident	63.8	Low	92 Å²	92	65.5 Å²	65.5	49%	0.492	32%	0.315	S	S	.	.	H	α-helix	trans	-54	-29.6	-177.6	-74.2	-21.1	0	0	0	112.4	F330 Y331 H332	D328-F330 PolarHBondContact O-N 3.45Å; D328-Y331 PolarHBondContact O-N 2.93Å; D328-Y331 VanDerWaalsContact OD1-CE2 3.25Å; D328-Y331 WeakPolarHBondContact OD1-CE2 3.42Å; D328-Y331 PolarHBondContact OD1-OH 3.39Å; D328-H332 VanDerWaalsContact O-CB 3.28Å; D328-H332 WeakPolarHBondContact O-CB 3.19Å; D328-H332 PolarHBondContact O-N 3.01Å; D328-H332 IonicContact OD1-CD2 3.58Å; D328-H332 IonicContact OD1-NE2 3.57Å
329	Y	73.9	Confident	63.3	Low	113 Å²	113	69.3 Å²	69.3	44%	0.443	33%	0.333	S	S	.	.	H	α-helix	trans	-56.5	-37.4	178.4	-178.1	-100.8	0	0	0	112.3	K72 H96 D327	K72-Y329 PolarHBondContact NZ-O 3.17Å; H96-Y329 AromaticContact CD2-CD1 3.59Å; H96-Y329 AromaticContact CD2-CE1 3.58Å; H96-Y329 AromaticContact CE1-CD1 3.87Å; H96-Y329 AromaticContact NE2-CD1 3.41Å; H96-Y329 WeakPolarHBondContact NE2-CD1 3.43Å; H96-Y329 AromaticContact NE2-CD2 3.99Å; H96-Y329 AromaticContact NE2-CE1 3.88Å; H96-Y329 AromaticContact NE2-CG 3.48Å; D327-Y329 PolarHBondContact O-N 2.77Å; D327-Y329 VanDerWaalsContact O-N 3.09Å; D327-Y329 VanDerWaalsContact OD1-CB 3.22Å; D327-Y329 WeakPolarHBondContact OD1-CB 3.18Å; D327-Y329 PolarHBondContact OD1-N 3.23Å
330	F	69.4	Low	63	Low	1 Å²	1	73.6 Å²	73.6	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-86.4	-20.7	-172.8	-65.2	-74.7	0	0	0	113.9	I69 K72 W89 H96 Y97 Q324 D327 D328	I69-F330 HydrophobicContact CG1-CB 4.39Å; K72-F330 WeakPolarHBondContact CD-O 3.05Å; K72-F330 WeakPolarHBondContact CE-O 3.48Å; K72-F330 PolarHBondContact NZ-O 3.12Å; W89-F330 AromaticContact CH2-CD1 3.54Å; W89-F330 HydrophobicContact CH2-CD1 3.54Å; W89-F330 HydrophobicContact CH2-CE1 4.24Å; W89-F330 AromaticContact CZ2-CD1 3.6Å; W89-F330 HydrophobicContact CZ2-CD1 3.6Å; W89-F330 HydrophobicContact CZ2-CE1 4.16Å; W89-F330 HydrophobicContact CZ2-CG 4.44Å; H96-F330 HydrophobicContact CB-CZ 3.92Å; H96-F330 AromaticContact CE1-CE2 3.75Å; H96-F330 AromaticContact CE1-CZ 4Å; H96-F330 AromaticContact CG-CZ 3.63Å; H96-F330 AromaticContact ND1-CE2 3.4Å; H96-F330 WeakPolarHBondContact ND1-CE2 3.47Å; H96-F330 AromaticContact ND1-CZ 3.32Å; H96-F330 VanDerWaalsContact ND1-CZ 3.32Å; H96-F330 WeakPolarHBondContact ND1-CZ 3.08Å; Y97-F330 HydrophobicContact CE1-CE2 4.31Å; Y97-F330 HydrophobicContact CE2-CE2 4.3Å; Y97-F330 HydrophobicContact CE2-CZ 4.38Å; Y97-F330 AromaticContact CZ-CE2 3.84Å; Q324-F330 HydrophobicContact CB-CB 4.47Å; Q324-F330 HydrophobicContact CB-CD2 4.16Å; Q324-F330 HydrophobicContact CB-CG 4.31Å; Q324-F330 HydrophobicContact CG-CD2 4.07Å; Q324-F330 HydrophobicContact CG-CE2 4.11Å; Q324-F330 HydrophobicContact CG-CG 4.31Å; Q324-F330 HydrophobicContact CG-CZ 4.38Å; D327-F330 HydrophobicContact CB-CD2 3.81Å; D327-F330 HydrophobicContact CB-CE2 4.24Å; D327-F330 PolarHBondContact O-N 2.64Å; D327-F330 WeakPolarHBondContact OD2-CE2 3.13Å; D328-F330 PolarHBondContact O-N 3.45Å
331	Y	67.4	Low	62.5	Low	30 Å²	30	78.1 Å²	78.1	12%	0.118	38%	0.375	C	S	.	.	H	α-helix	trans	-123.5	-2.5	-177.9	59.3	-99.9	0	0	0	115.5	R65 L325 D327 D328	R65-Y331 HydrophobicContact CB-CG 4.45Å; R65-Y331 HydrophobicContact CG-CD1 4.37Å; R65-Y331 HydrophobicContact CG-CD2 4.27Å; R65-Y331 HydrophobicContact CG-CG 4.09Å; R65-Y331 PolarHBondContact NH1-OH 3.21Å; L325-Y331 WeakPolarHBondContact O-CE1 3.41Å; D327-Y331 WeakPolarHBondContact O-CD1 3.24Å; D327-Y331 WeakPolarHBondContact O-CE1 2.81Å; D328-Y331 PolarHBondContact O-N 2.93Å; D328-Y331 VanDerWaalsContact OD1-CE2 3.25Å; D328-Y331 WeakPolarHBondContact OD1-CE2 3.42Å; D328-Y331 PolarHBondContact OD1-OH 3.39Å
332	H	63	Low	62.3	Low	105 Å²	105	76.4 Å²	76.4	49%	0.486	37%	0.373	S	S	.	.			trans	-97.9	141.6	167.8	-77.5	-74.6	0	0	0	112.3	K72 D328	K72-H332 PolarHBondContact NZ-O 2.96Å; D328-H332 VanDerWaalsContact O-CB 3.28Å; D328-H332 WeakPolarHBondContact O-CB 3.19Å; D328-H332 PolarHBondContact O-N 3.01Å; D328-H332 IonicContact OD1-CD2 3.58Å; D328-H332 IonicContact OD1-NE2 3.57Å
333	D	47.1	Very low	62.4	Low	138 Å²	138	81.4 Å²	81.4	74%	0.738	39%	0.392	S	S	*	.			trans	-83.5	116.7	164.9	-69.1	-26.9	0	0	0	107.7	L335	D333-L335 PolarHBondContact O-N 2.89Å
334	E	42.3	Very low	61.7	Low	182 Å²	182	83.8 Å²	83.8	85%	0.85	41%	0.408	S	S	*	.			trans	-67	114.6	162	-67.8	-168.1	174.8	0	0	107.9
335	L	30.2	Very low	60.8	Low	241 Å²	241	91.4 Å²	91.4	100%	1.262	45%	0.446	S	S	*	.			trans	-75.1	0	-176.7	-94.6	166.4	0	0	0	114	D333	D333-L335 PolarHBondContact O-N 2.89Å

Retrieved 335 of 335 residues in 469.8 ms (Link to these results)

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