A0A087XNR3_POEFO Loading...

Calcium binding protein 4

AlphaFold DB , UniProt , Accession A0A087XNR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	40.7	Very low	251 Å²	251	140.9 Å²	140.9	100%	1.236	86%	0.855	S	S	*	*				0	100.5	0	-71.5	166	157.1	0	0	105.9
2	G	38.9	Very low	41.1	Very low	70 Å²	70	146.2 Å²	146.2	72%	0.722	86%	0.858	S	S	*	*			cis	104.9	98	27.3	0	0	0	0	0	109.1
3	V	45.6	Very low	40.8	Very low	142 Å²	142	144 Å²	144	86%	0.861	86%	0.856	S	S	*	*			trans	166.8	109.5	151.2	-85.6	0	0	0	0	105.4
4	V	43.8	Very low	40.7	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	85%	0.85	S	S	*	*			cis	59.8	116	49.8	-155.3	0	0	0	0	114.4
5	L	44.1	Very low	40.7	Very low	179 Å²	179	145.7 Å²	145.7	94%	0.937	86%	0.857	S	S	*	*			trans	156.3	133.2	146.7	-83.3	163.2	0	0	0	106.7
6	G	36.9	Very low	40.3	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	86%	0.855	S	S	*	*			cis	164.1	140.7	10.9	0	0	0	0	0	106.2
7	A	39.5	Very low	39.9	Very low	93 Å²	93	137.8 Å²	137.8	77%	0.769	85%	0.851	S	S	*	*			trans	-66.3	159.9	-174.2	0	0	0	0	0	114.8
8	E	37.1	Very low	40.8	Very low	196 Å²	196	136.4 Å²	136.4	92%	0.916	85%	0.845	S	S	*	*			trans	-144.9	116.6	136	-85.6	-136	94.8	0	0	110.9
9	M	38.1	Very low	40.6	Very low	173 Å²	173	136.7 Å²	136.7	85%	0.852	84%	0.84	S	S	*	*			trans	-87.3	129.5	162.7	-67.4	164.3	85.6	0	0	107.2
10	S	41.8	Very low	40.4	Very low	116 Å²	116	136 Å²	136	81%	0.811	84%	0.84	S	S	*	*			trans	-123.1	103.7	165	-155.1	0	0	0	0	110.4
11	V	39.6	Very low	40.3	Very low	125 Å²	125	140.8 Å²	140.8	76%	0.758	84%	0.843	S	S	*	*			trans	-76.1	130.3	168	-100.1	0	0	0	0	109.9
12	K	45.5	Very low	41	Very low	204 Å²	204	133.9 Å²	133.9	89%	0.887	82%	0.817	S	S	*	*			trans	-136.9	114.2	151	-77.6	-170.6	-179.6	176.8	0	111
13	S	37.3	Very low	40.8	Very low	118 Å²	118	135.6 Å²	135.6	83%	0.825	82%	0.818	S	S	*	*			trans	-81.6	148.3	167.1	-58.1	0	0	0	0	111.9
14	A	40.1	Very low	40.2	Very low	94 Å²	94	133.8 Å²	133.8	78%	0.777	81%	0.811	S	S	*	*			trans	176.8	105.9	137	0	0	0	0	0	108.6
15	K	39.8	Very low	39.7	Very low	220 Å²	220	132 Å²	132	96%	0.957	81%	0.811	S	S	*	*				75.6	118	87.1	-86.6	-169.2	175.2	-177.8	0	115.2
16	G	35	Very low	39.1	Very low	80 Å²	80	127.3 Å²	127.3	83%	0.825	80%	0.798	S	S	*	*			trans	137.1	94.9	144.2	0	0	0	0	0	116.7
17	G	33.2	Very low	38.7	Very low	76 Å²	76	128.9 Å²	128.9	78%	0.784	80%	0.798	S	S	*	*			trans	-93.1	-158.9	150.7	0	0	0	0	0	110.3
18	P	57	Low	38.7	Very low	114 Å²	114	130.3 Å²	130.3	74%	0.74	80%	0.797	S	S	*	*			cis	-131.9	-163.9	-18.4	34.4	-12.3	0	0	0	112.3
19	D	36	Very low	38.7	Very low	142 Å²	142	126.5 Å²	126.5	76%	0.759	79%	0.791	S	S	*	*			trans	84.7	111.6	158	-66	-41.3	0	0	0	120.7
20	S	37.4	Very low	39	Very low	121 Å²	121	123 Å²	123	85%	0.846	78%	0.782	S	S	*	*				149.6	112.2	100.4	53.1	0	0	0	0	113.5
21	R	36.9	Very low	38.5	Very low	237 Å²	237	129.1 Å²	129.1	89%	0.894	79%	0.787	S	S	*	*			trans	-71.3	-177.9	153.6	-108.3	-176.7	-172.3	-155.5	3.5	109.1
22	P	58.2	Low	38.1	Very low	107 Å²	107	127.2 Å²	127.2	70%	0.695	79%	0.793	S	S	*	*			cis	-138.2	-162.9	-13.9	29.1	-4.9	0	0	0	112.3
23	S	33.8	Very low	37.4	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	78%	0.784	S	S	*	*			trans	116.5	141.8	150.9	-49.4	0	0	0	0	113.4
24	S	33.6	Very low	37	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	79%	0.791	S	S	*	*			cis	171.8	162.2	-12.1	49.8	0	0	0	0	106
25	A	32.6	Very low	36.6	Very low	97 Å²	97	127 Å²	127	80%	0.802	79%	0.788	S	S	*	*			trans	76.6	145	157.2	0	0	0	0	0	117.1
26	A	31.5	Very low	36.2	Very low	80 Å²	80	121.3 Å²	121.3	66%	0.661	78%	0.782	S	S	*	*			cis	-170.4	140.8	-9.1	0	0	0	0	0	106.4
27	S	29.8	Very low	36	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	78%	0.784	S	S	*	*				83.6	144.1	111.5	68.8	0	0	0	0	119
28	V	37.7	Very low	35.8	Very low	123 Å²	123	124 Å²	124	75%	0.745	79%	0.789	S	S	*	*			trans	98.4	96.8	148.5	-166	0	0	0	0	117.8
29	S	37.1	Very low	34.4	Very low	115 Å²	115	121.9 Å²	121.9	80%	0.804	79%	0.788	S	S	*	*			trans	-72.9	153.5	131.4	-42.7	0	0	0	0	108.4
30	P	45.4	Very low	34.2	Very low	100 Å²	100	125 Å²	125	65%	0.649	79%	0.794	S	S	*	*				-160.5	169.7	76.7	40.1	-18.3	0	0	0	118.1
31	R	31.1	Very low	34	Very low	244 Å²	244	124.9 Å²	124.9	92%	0.921	79%	0.794	S	S	*	*			trans	64.4	129.3	138.4	-81.6	174.2	175	-146.9	-1	122.1
32	G	30.8	Very low	34	Very low	85 Å²	85	119.7 Å²	119.7	88%	0.876	79%	0.791	S	S	*	*			trans	120.4	125.7	138	0	0	0	0	0	112.4
33	G	30.3	Very low	32.7	Very low	69 Å²	69	119 Å²	119	71%	0.711	79%	0.794	S	S	*	*			cis	152.9	146.3	6.4	0	0	0	0	0	108.3
34	R	30.2	Very low	32.6	Very low	257 Å²	257	123.5 Å²	123.5	97%	0.97	81%	0.806	S	S	*	*			trans	60.9	153.6	159.1	-75.5	176.1	153.1	-149	-4.8	117.1
35	A	31.5	Very low	32.5	Very low	86 Å²	86	121.6 Å²	121.6	71%	0.711	80%	0.803	S	S	*	*			cis	-165.2	154.8	-14.5	0	0	0	0	0	107.4
36	A	30.5	Very low	32.4	Very low	101 Å²	101	128.4 Å²	128.4	84%	0.835	81%	0.808	S	S	*	*			trans	14.9	129.9	148.1	0	0	0	0	0	120.1
37	A	31.2	Very low	32.5	Very low	105 Å²	105	134.5 Å²	134.5	87%	0.868	82%	0.82	S	S	*	*				-179.7	150.2	100.4	0	0	0	0	0	113.4
38	A	30.1	Very low	32.8	Very low	108 Å²	108	138.3 Å²	138.3	89%	0.893	82%	0.823	S	S	*	*			trans	-56.3	158.2	-179.5	0	0	0	0	0	116.5
39	G	27.7	Very low	32.5	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	83%	0.831	S	S	*	*			trans	158.6	90.6	149.9	0	0	0	0	0	117.7
40	K	31.5	Very low	32.3	Very low	206 Å²	206	144.8 Å²	144.8	90%	0.896	84%	0.835	S	S	*	*			trans	72.6	120.3	147.1	-72.3	175.5	174.3	177.1	0	119.9
41	S	32.1	Very low	31.6	Very low	120 Å²	120	143.9 Å²	143.9	84%	0.839	84%	0.836	S	S	*	*			trans	-47.9	152.4	157.6	-46.3	0	0	0	0	113.4
42	P	37.5	Very low	31.5	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	84%	0.837	S	S	*	*				-129.5	143.8	119.8	32	-20	0	0	0	112.3
43	A	31.2	Very low	31.7	Very low	93 Å²	93	144.9 Å²	144.9	77%	0.769	83%	0.833	S	S	*	*			trans	-75.9	138.7	168.8	0	0	0	0	0	110.7
44	M	30.6	Very low	31.7	Very low	199 Å²	199	148.7 Å²	148.7	98%	0.98	84%	0.836	S	S	*	*			trans	175.2	138.6	134.8	-96.8	-133.3	-78.5	0	0	109.9
45	G	31	Very low	31.7	Very low	64 Å²	64	142.2 Å²	142.2	66%	0.66	83%	0.83	S	S	*	*			trans	137.5	40.6	164.2	0	0	0	0	0	117.3	F47	G45-F47 PolarHBondContact O-N 3.41Å
46	R	30.6	Very low	31.8	Very low	240 Å²	240	145.6 Å²	145.6	91%	0.906	84%	0.835	S	S	*	*			trans	-62.1	102.2	161	-89.5	177.2	166.6	171.1	-5	109
47	F	33.8	Very low	31.7	Very low	209 Å²	209	146 Å²	146	92%	0.917	83%	0.832	S	S	*	*			trans	-85.9	118.2	160.1	-95.5	-87.6	0	0	0	109.5	G45	G45-F47 PolarHBondContact O-N 3.41Å
48	K	35.9	Very low	32	Very low	185 Å²	185	150.5 Å²	150.5	80%	0.804	83%	0.832	S	S	*	*			trans	-79.7	131	-173.2	-67.5	171.5	177.5	176.5	0	109.6	K50	K48-K50 PolarHBondContact O-N 2.86Å
49	N	32.3	Very low	32.2	Very low	170 Å²	170	155.2 Å²	155.2	91%	0.909	83%	0.833	S	S	*	*			trans	-39.5	126.2	151.6	-79.7	-57.1	0	0	0	110.6
50	K	33.5	Very low	32.1	Very low	204 Å²	204	161.5 Å²	161.5	89%	0.887	84%	0.841	S	S	*	*			trans	-113.1	109.4	174.5	-153.7	178.2	-175	-170.6	0	108.5	K48	K48-K50 PolarHBondContact O-N 2.86Å
51	A	30	Very low	31.9	Very low	80 Å²	80	157.9 Å²	157.9	66%	0.661	84%	0.84	S	S	*	*			trans	45.4	122.7	145.3	0	0	0	0	0	117.5
52	L	30.3	Very low	31.8	Very low	180 Å²	180	156.7 Å²	156.7	94%	0.942	83%	0.831	S	S	*	*				-147.3	112.9	69.6	-86.5	148.9	0	0	0	111.7
53	Q	33.7	Very low	31.7	Very low	171 Å²	171	160.3 Å²	160.3	80%	0.799	83%	0.834	S	S	*	*			trans	-98.5	128.2	162.2	-96.3	-81.7	-11	0	0	108.4
54	L	31.3	Very low	31.5	Very low	148 Å²	148	161.4 Å²	161.4	78%	0.775	84%	0.836	S	S	*	*			trans	9	119.9	148.1	-126.6	70.4	0	0	0	117.9
55	S	29.1	Very low	31.5	Very low	122 Å²	122	157.2 Å²	157.2	85%	0.853	83%	0.827	S	S	*	*			trans	-138.6	94.5	144.7	60.7	0	0	0	0	110.2
56	L	33	Very low	31.6	Very low	156 Å²	156	158.5 Å²	158.5	82%	0.817	83%	0.831	S	S	*	*			trans	-80.2	116.2	154.1	-109.5	87	0	0	0	107.2
57	S	29.3	Very low	31.9	Very low	109 Å²	109	156.4 Å²	156.4	76%	0.762	83%	0.828	S	S	*	*			trans	-158	102.4	154.6	-85.8	0	0	0	0	111.7
58	K	38.3	Very low	32	Very low	200 Å²	200	155 Å²	155	87%	0.87	82%	0.824	S	S	*	*			trans	31.9	112.6	130.5	-65.1	171.7	-179.8	168.9	0	117.3
59	K	32.9	Very low	31.9	Very low	208 Å²	208	155.9 Å²	155.9	90%	0.904	83%	0.829	S	S	*	*			trans	-140	102.2	135.2	-68.9	-171.7	-172.6	175.8	0	108.2
60	F	27	Very low	32.1	Very low	201 Å²	201	151.7 Å²	151.7	88%	0.882	82%	0.817	S	S	*	*				71.3	89.6	94.7	-136.1	-91.6	0	0	0	112.5
61	C	26.2	Very low	32.4	Very low	129 Å²	129	146.7 Å²	146.7	87%	0.872	81%	0.808	S	S	*	*			trans	-99.7	121	154.6	-169.8	0	0	0	0	107.2
62	S	30.2	Very low	32.9	Very low	95 Å²	95	150.8 Å²	150.8	66%	0.664	81%	0.814	S	S	*	*			trans	-68.6	137.8	177.8	39.1	0	0	0	0	111.8
63	K	35.1	Very low	33.2	Very low	204 Å²	204	148.9 Å²	148.9	89%	0.887	80%	0.8	S	S	*	*			trans	-43.5	145.7	177.4	-61.3	171.6	176.5	177.4	0	114.3
64	S	28.6	Very low	33.3	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	78%	0.783	S	S	*	*				173.7	136.3	95	-163.3	0	0	0	0	113.7
65	S	28.9	Very low	33.5	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	77%	0.77	S	S	*	*			trans	66.4	124	148.7	148.1	0	0	0	0	118.1
66	A	33.2	Very low	34	Very low	91 Å²	91	140.5 Å²	140.5	75%	0.752	75%	0.75	S	S	*	*			cis	-160.2	146.8	24.6	0	0	0	0	0	112.5
67	K	37.3	Very low	34.3	Very low	196 Å²	196	139.6 Å²	139.6	85%	0.852	74%	0.74	S	S	*	*			trans	-23	137.7	145.2	-94.8	172.5	170.8	-177.1	0	112.4
68	E	37.2	Very low	34.9	Very low	178 Å²	178	142.3 Å²	142.3	83%	0.832	73%	0.733	S	S	*	*	S	Bend	cis	-156.6	118.3	34.7	-92.1	154.8	130.6	0	0	107.3
69	K	33.7	Very low	35.1	Very low	205 Å²	205	138.5 Å²	138.5	89%	0.891	72%	0.717	S	S	*	*			trans	169.4	67.1	162.5	-99.5	175.8	-174.2	-170.9	0	107.4
70	A	35.3	Very low	35.6	Very low	81 Å²	81	131.7 Å²	131.7	67%	0.669	70%	0.695	S	S	*	*			trans	-133.7	18.7	-167.5	0	0	0	0	0	114.5
71	S	39.8	Very low	36.5	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	69%	0.686	S	S	*	*	S	Bend	trans	-98.8	-22.5	178.6	47.9	0	0	0	0	114.4
72	E	41	Very low	37.5	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	68%	0.677	S	S	*	*	S	Bend	trans	-105.8	-27.6	-176.4	-71.5	174	167.4	0	0	114	S76	E72-S76 PolarHBondContact O-N 3.43Å; E72-S76 PolarHBondContact O-OG 3.31Å
73	E	37.2	Very low	38.3	Very low	139 Å²	139	128.6 Å²	128.6	65%	0.65	65%	0.652	S	S	*	*	H	α-helix	trans	-81.3	-26.3	178.5	-84.5	-168.4	164.1	0	0	114.6	S76 K77	E73-S76 VanDerWaalsContact CA-OG 3.27Å; E73-S76 WeakPolarHBondContact CA-OG 3.2Å; E73-S76 PolarHBondContact O-OG 3.27Å; E73-S76 VanDerWaalsContact O-OG 3.09Å; E73-K77 WeakPolarHBondContact O-CB 3.41Å; E73-K77 PolarHBondContact O-N 3.47Å
74	E	35.4	Very low	39	Very low	96 Å²	96	124.4 Å²	124.4	45%	0.449	64%	0.638	S	S	.	*	H	α-helix	trans	-77.7	-33.4	177.5	-112	-82.5	143.5	0	0	111.5	R78	E74-R78 WeakPolarHBondContact O-CB 3.34Å; E74-R78 VanDerWaalsContact O-CG 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.32Å; E74-R78 PolarHBondContact O-N 3.09Å; E74-R78 IonicContact OE2-CZ 3.07Å; E74-R78 IonicContact OE2-NE 2.72Å; E74-R78 PolarHBondContact OE2-NE 3.01Å; E74-R78 IonicContact OE2-NH2 2.78Å; E74-R78 PolarHBondContact OE2-NH2 3.41Å
75	E	34.3	Very low	40.1	Very low	107 Å²	107	122.2 Å²	122.2	50%	0.5	62%	0.623	S	S	.	*	H	α-helix	trans	-72.3	-40.3	176.7	-162.5	-177	153	0	0	111.6	R78 K79	E75-R78 PolarHBondContact O-N 3.28Å; E75-K79 HydrophobicContact CG-CD 4.31Å; E75-K79 VanDerWaalsContact O-CB 3.28Å; E75-K79 WeakPolarHBondContact O-CB 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.4Å; E75-K79 PolarHBondContact O-N 2.73Å; E75-K79 WeakPolarHBondContact OE1-CE 3.35Å; E75-K79 IonicContact OE1-NZ 2.73Å; E75-K79 PolarHBondContact OE1-NZ 2.83Å
76	S	41.1	Very low	41.2	Very low	63 Å²	63	118.5 Å²	118.5	44%	0.441	60%	0.595	S	S	.	*	H	α-helix	trans	-66.5	-38.1	174.5	45.6	0	0	0	0	112.6	E72 E73 S80	E72-S76 PolarHBondContact O-N 3.43Å; E72-S76 PolarHBondContact O-OG 3.31Å; E73-S76 VanDerWaalsContact CA-OG 3.27Å; E73-S76 WeakPolarHBondContact CA-OG 3.2Å; E73-S76 PolarHBondContact O-OG 3.27Å; E73-S76 VanDerWaalsContact O-OG 3.09Å; S76-S80 WeakPolarHBondContact O-CB 3.35Å; S76-S80 PolarHBondContact O-N 2.99Å
77	K	38.8	Very low	42.2	Very low	136 Å²	136	115.5 Å²	115.5	59%	0.591	57%	0.568	S	S	*	*	H	α-helix	trans	-69.5	-32.9	172.1	-91	172.8	177.2	160.4	0	114.1	E73 K81	E73-K77 WeakPolarHBondContact O-CB 3.41Å; E73-K77 PolarHBondContact O-N 3.47Å; K77-K81 WeakPolarHBondContact O-CB 3.07Å; K77-K81 WeakPolarHBondContact O-CG 3.31Å; K77-K81 PolarHBondContact O-N 2.85Å; K77-K81 VanDerWaalsContact O-N 3.12Å
78	R	41.7	Very low	43.2	Very low	167 Å²	167	109.7 Å²	109.7	63%	0.63	55%	0.552	S	S	*	*	H	α-helix	trans	-77.2	-37.9	175.2	-75.9	-177.2	-169.1	-169.4	5.6	112.7	E74 E75 R82	E74-R78 WeakPolarHBondContact O-CB 3.34Å; E74-R78 VanDerWaalsContact O-CG 3.31Å; E74-R78 WeakPolarHBondContact O-CG 3.32Å; E74-R78 PolarHBondContact O-N 3.09Å; E74-R78 IonicContact OE2-CZ 3.07Å; E74-R78 IonicContact OE2-NE 2.72Å; E74-R78 PolarHBondContact OE2-NE 3.01Å; E74-R78 IonicContact OE2-NH2 2.78Å; E74-R78 PolarHBondContact OE2-NH2 3.41Å; E75-R78 PolarHBondContact O-N 3.28Å; R78-R82 WeakPolarHBondContact O-CB 3.34Å; R78-R82 PolarHBondContact O-N 2.84Å
79	K	42.1	Very low	44.3	Very low	120 Å²	120	106 Å²	106	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-63.9	-49.5	170.8	-85	172.9	168.2	160.5	0	110.4	E75 K81 R82 S83	E75-K79 HydrophobicContact CG-CD 4.31Å; E75-K79 VanDerWaalsContact O-CB 3.28Å; E75-K79 WeakPolarHBondContact O-CB 3.48Å; E75-K79 WeakPolarHBondContact O-CG 3.4Å; E75-K79 PolarHBondContact O-N 2.73Å; E75-K79 WeakPolarHBondContact OE1-CE 3.35Å; E75-K79 IonicContact OE1-NZ 2.73Å; E75-K79 PolarHBondContact OE1-NZ 2.83Å; K79-K81 VanDerWaalsContact C-N 3.34Å; K79-K81 PolarHBondContact O-N 2.76Å; K79-R82 CarbonylContact O-C 3.46Å; K79-R82 PolarHBondContact O-N 2.76Å; K79-S83 WeakPolarHBondContact O-CB 3.11Å; K79-S83 PolarHBondContact O-N 3.31Å; K79-S83 PolarHBondContact O-OG 2.73Å
80	S	44.3	Very low	45.5	Very low	64 Å²	64	96.5 Å²	96.5	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-35.8	178.2	179.7	0	0	0	0	113.5	S76 S83 L84	S76-S80 WeakPolarHBondContact O-CB 3.35Å; S76-S80 PolarHBondContact O-N 2.99Å; S80-S83 PolarHBondContact O-OG 3.25Å; S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 WeakPolarHBondContact O-CD1 3.47Å; S80-L84 WeakPolarHBondContact O-CG 3.1Å; S80-L84 PolarHBondContact O-N 3.47Å; S80-L84 VanDerWaalsContact O-N 3.15Å
81	K	45.7	Very low	46.8	Very low	161 Å²	161	93.1 Å²	93.1	70%	0.7	47%	0.467	S	S	*	.	H	α-helix	trans	-74	-27.9	172.5	-80.3	179.1	177.5	171.9	0	114.1	K77 K79 S85	K77-K81 WeakPolarHBondContact O-CB 3.07Å; K77-K81 WeakPolarHBondContact O-CG 3.31Å; K77-K81 PolarHBondContact O-N 2.85Å; K77-K81 VanDerWaalsContact O-N 3.12Å; K79-K81 VanDerWaalsContact C-N 3.34Å; K79-K81 PolarHBondContact O-N 2.76Å; K81-S85 WeakPolarHBondContact O-CB 3.26Å; K81-S85 PolarHBondContact O-N 3.37Å
82	R	46.5	Very low	47.8	Very low	181 Å²	181	90.8 Å²	90.8	68%	0.683	45%	0.454	S	S	*	.	H	α-helix	trans	-79.7	-36.8	174.6	-91	179.1	163	165.9	-6.2	111.8	R78 K79 S85 N86	R78-R82 WeakPolarHBondContact O-CB 3.34Å; R78-R82 PolarHBondContact O-N 2.84Å; K79-R82 CarbonylContact O-C 3.46Å; K79-R82 PolarHBondContact O-N 2.76Å; R82-S85 CarbonylContact O-C 3.55Å; R82-S85 WeakPolarHBondContact O-CA 3.38Å; R82-S85 VanDerWaalsContact O-CB 3.32Å; R82-S85 WeakPolarHBondContact O-CB 3.31Å; R82-S85 PolarHBondContact O-N 3.17Å; R82-S85 VanDerWaalsContact O-N 3.16Å; R82-N86 WeakPolarHBondContact O-CB 3.34Å; R82-N86 PolarHBondContact O-N 3.5Å; R82-N86 PolarHBondContact O-ND2 2.8Å; R82-N86 PolarHBondContact O-OD1 3.04Å
83	S	47.3	Very low	48.9	Very low	18 Å²	18	84.2 Å²	84.2	13%	0.126	43%	0.428	C	S	.	.	H	α-helix	trans	-68	-48	178.3	80.1	0	0	0	0	110.6	K79 S80 S85 N86 S87 D236	K79-S83 WeakPolarHBondContact O-CB 3.11Å; K79-S83 PolarHBondContact O-N 3.31Å; K79-S83 PolarHBondContact O-OG 2.73Å; S80-S83 PolarHBondContact O-OG 3.25Å; S83-S85 PolarHBondContact O-N 2.91Å; S83-S85 VanDerWaalsContact O-N 3.16Å; S83-N86 PolarHBondContact O-N 2.83Å; S83-S87 WeakPolarHBondContact O-CB 3.33Å; S83-S87 PolarHBondContact O-N 3.43Å; S83-D236 WeakPolarHBondContact CA-OD2 3.32Å; S83-D236 WeakPolarHBondContact CB-OD2 3.31Å
84	L	49.3	Very low	50	Low	116 Å²	116	77.9 Å²	77.9	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-56	-34.4	168.4	-79.4	162.1	0	0	0	113	S80 S88	S80-L84 WeakPolarHBondContact O-CB 3.27Å; S80-L84 WeakPolarHBondContact O-CD1 3.47Å; S80-L84 WeakPolarHBondContact O-CG 3.1Å; S80-L84 PolarHBondContact O-N 3.47Å; S80-L84 VanDerWaalsContact O-N 3.15Å; L84-S88 WeakPolarHBondContact O-CB 3.27Å; L84-S88 PolarHBondContact O-N 3.02Å; L84-S88 VanDerWaalsContact O-N 3.1Å
85	S	52.5	Low	51.2	Low	69 Å²	69	76.6 Å²	76.6	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-74.5	-32	176.4	178.2	0	0	0	0	112.9	K81 R82 S83 M89	K81-S85 WeakPolarHBondContact O-CB 3.26Å; K81-S85 PolarHBondContact O-N 3.37Å; R82-S85 CarbonylContact O-C 3.55Å; R82-S85 WeakPolarHBondContact O-CA 3.38Å; R82-S85 VanDerWaalsContact O-CB 3.32Å; R82-S85 WeakPolarHBondContact O-CB 3.31Å; R82-S85 PolarHBondContact O-N 3.17Å; R82-S85 VanDerWaalsContact O-N 3.16Å; S83-S85 PolarHBondContact O-N 2.91Å; S83-S85 VanDerWaalsContact O-N 3.16Å; S85-M89 VanDerWaalsContact O-CB 3.29Å; S85-M89 WeakPolarHBondContact O-CB 3.37Å; S85-M89 PolarHBondContact O-N 3.28Å
86	N	51.3	Low	52.4	Low	35 Å²	35	75.1 Å²	75.1	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-82.7	-43.8	-178	-72.3	-13.7	0	0	0	110.7	R82 S83 S88 M89 V90 E232	R82-N86 WeakPolarHBondContact O-CB 3.34Å; R82-N86 PolarHBondContact O-N 3.5Å; R82-N86 PolarHBondContact O-ND2 2.8Å; R82-N86 PolarHBondContact O-OD1 3.04Å; S83-N86 PolarHBondContact O-N 2.83Å; N86-S88 VanDerWaalsContact C-N 3.34Å; N86-M89 WeakPolarHBondContact O-CB 3.43Å; N86-M89 PolarHBondContact O-N 2.68Å; N86-V90 PolarHBondContact O-N 2.81Å; N86-E232 PolarHBondContact ND2-OE2 3.46Å
87	S	53.6	Low	53.4	Low	28 Å²	28	74.7 Å²	74.7	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-59.3	-44.3	170	-179.8	0	0	0	0	111.2	S83 M89 V90 A91	S83-S87 WeakPolarHBondContact O-CB 3.33Å; S83-S87 PolarHBondContact O-N 3.43Å; S87-M89 VanDerWaalsContact C-N 3.3Å; S87-M89 PolarHBondContact O-N 2.95Å; S87-V90 PolarHBondContact O-N 3.21Å; S87-A91 WeakPolarHBondContact O-CB 3.09Å; S87-A91 PolarHBondContact O-N 3.33Å
88	S	58.8	Low	54.2	Low	73 Å²	73	69.1 Å²	69.1	51%	0.51	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-31.2	171.8	177.6	0	0	0	0	113.3	L84 N86 A92	L84-S88 WeakPolarHBondContact O-CB 3.27Å; L84-S88 PolarHBondContact O-N 3.02Å; L84-S88 VanDerWaalsContact O-N 3.1Å; N86-S88 VanDerWaalsContact C-N 3.34Å; S88-A92 WeakPolarHBondContact O-CA 3.35Å; S88-A92 WeakPolarHBondContact O-CB 3.44Å; S88-A92 PolarHBondContact O-N 3.07Å
89	M	60.6	Low	54.9	Low	101 Å²	101	66.2 Å²	66.2	50%	0.498	36%	0.358	S	S	.	.	H	α-helix	trans	-73.4	-38.1	178.1	-177.3	177.7	65.1	0	0	112	S85 N86 S87 A92 A93	S85-M89 VanDerWaalsContact O-CB 3.29Å; S85-M89 WeakPolarHBondContact O-CB 3.37Å; S85-M89 PolarHBondContact O-N 3.28Å; N86-M89 WeakPolarHBondContact O-CB 3.43Å; N86-M89 PolarHBondContact O-N 2.68Å; S87-M89 VanDerWaalsContact C-N 3.3Å; S87-M89 PolarHBondContact O-N 2.95Å; M89-A92 PolarHBondContact O-N 2.86Å; M89-A93 WeakPolarHBondContact O-CB 3.37Å; M89-A93 PolarHBondContact O-N 3.03Å
90	V	59.7	Low	55.6	Low	6 Å²	6	68.6 Å²	68.6	4%	0.036	37%	0.368	C	S	.	.	H	α-helix	trans	-67.2	-48.6	173.1	176.5	0	0	0	0	110	N86 S87 A92 A93 Y94 M217 I233 M253	N86-V90 PolarHBondContact O-N 2.81Å; S87-V90 PolarHBondContact O-N 3.21Å; V90-A92 VanDerWaalsContact C-N 3.28Å; V90-A92 PolarHBondContact O-N 2.87Å; V90-A93 PolarHBondContact O-N 3.36Å; V90-Y94 WeakPolarHBondContact O-CB 3.39Å; V90-Y94 PolarHBondContact O-N 3.46Å; V90-M217 HydrophobicContact CG1-CE 3.33Å; V90-M217 HydrophobicContact CG1-SD 4.01Å; V90-I233 HydrophobicContact CB-CG2 4.46Å; V90-I233 HydrophobicContact CG1-CG2 4.42Å; V90-I233 HydrophobicContact CG2-CB 4.45Å; V90-I233 HydrophobicContact CG2-CD1 3.29Å; V90-I233 HydrophobicContact CG2-CG1 3.62Å; V90-I233 HydrophobicContact CG2-CG2 3.94Å; V90-M253 HydrophobicContact CG1-SD 4.46Å
91	A	61.5	Low	56	Low	10 Å²	10	67.2 Å²	67.2	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-40.9	174.2	0	0	0	0	0	111.2	S87 I95 M253	S87-A91 WeakPolarHBondContact O-CB 3.09Å; S87-A91 PolarHBondContact O-N 3.33Å; A91-I95 WeakPolarHBondContact O-CA 3.28Å; A91-I95 WeakPolarHBondContact O-CB 3.24Å; A91-I95 VanDerWaalsContact O-CD1 3.31Å; A91-I95 WeakPolarHBondContact O-CD1 3.46Å; A91-I95 WeakPolarHBondContact O-CG1 3.13Å; A91-I95 PolarHBondContact O-N 3.08Å; A91-M253 HydrophobicContact CB-CG 4.48Å
92	A	62.3	Low	56.3	Low	51 Å²	51	60.5 Å²	60.5	42%	0.421	33%	0.326	S	S	.	.	H	α-helix	trans	-73.6	-39	178.9	0	0	0	0	0	113.5	S88 M89 V90 Y94 S96	S88-A92 WeakPolarHBondContact O-CA 3.35Å; S88-A92 WeakPolarHBondContact O-CB 3.44Å; S88-A92 PolarHBondContact O-N 3.07Å; M89-A92 PolarHBondContact O-N 2.86Å; V90-A92 VanDerWaalsContact C-N 3.28Å; V90-A92 PolarHBondContact O-N 2.87Å; A92-Y94 VanDerWaalsContact C-N 3.28Å; A92-S96 WeakPolarHBondContact O-CA 3.45Å; A92-S96 WeakPolarHBondContact O-CB 3.5Å; A92-S96 PolarHBondContact O-N 3.19Å
93	A	62.3	Low	56.6	Low	28 Å²	28	52.5 Å²	52.5	23%	0.231	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-36.8	175.1	0	0	0	0	0	110.7	M89 V90 S96 Y97 L221	M89-A93 WeakPolarHBondContact O-CB 3.37Å; M89-A93 PolarHBondContact O-N 3.03Å; V90-A93 PolarHBondContact O-N 3.36Å; A93-S96 WeakPolarHBondContact O-CB 3.47Å; A93-S96 PolarHBondContact O-N 2.9Å; A93-Y97 VanDerWaalsContact O-CB 3.31Å; A93-Y97 WeakPolarHBondContact O-CB 3.41Å; A93-Y97 PolarHBondContact O-N 2.89Å; A93-L221 HydrophobicContact CB-CD1 4.39Å; A93-L221 HydrophobicContact CB-CD2 3.6Å; A93-L221 HydrophobicContact CB-CG 4.12Å
94	Y	61	Low	56.7	Low	5 Å²	5	58.1 Å²	58.1	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-75.5	-41.7	176.3	-173.8	-101.7	0	0	0	112.3	V90 A92 S96 Y97 L98 A196 F200 L220 F250 L254	V90-Y94 WeakPolarHBondContact O-CB 3.39Å; V90-Y94 PolarHBondContact O-N 3.46Å; A92-Y94 VanDerWaalsContact C-N 3.28Å; Y94-S96 PolarHBondContact O-N 2.85Å; Y94-Y97 HydrophobicContact CE2-CD1 4.43Å; Y94-Y97 CarbonylContact O-C 3.47Å; Y94-Y97 WeakPolarHBondContact O-CA 3.42Å; Y94-Y97 WeakPolarHBondContact O-CB 3.42Å; Y94-Y97 PolarHBondContact O-N 3.31Å; Y94-Y97 VanDerWaalsContact O-N 3.13Å; Y94-L98 HydrophobicContact CD1-CD1 3.63Å; Y94-L98 HydrophobicContact CD1-CG 3.78Å; Y94-L98 HydrophobicContact CE1-CD1 3.23Å; Y94-L98 HydrophobicContact CE1-CD2 3.88Å; Y94-L98 HydrophobicContact CE1-CG 3.48Å; Y94-L98 VanDerWaalsContact CE1-CG 3.48Å; Y94-L98 HydrophobicContact CE2-CD2 4.25Å; Y94-L98 HydrophobicContact CE2-CG 4.3Å; Y94-L98 HydrophobicContact CG-CG 4.44Å; Y94-L98 WeakPolarHBondContact O-CB 3.46Å; Y94-L98 VanDerWaalsContact O-CG 3.32Å; Y94-L98 WeakPolarHBondContact O-CG 3.46Å; Y94-L98 PolarHBondContact O-N 3.39Å; Y94-A196 WeakPolarHBondContact OH-CB 3.42Å; Y94-F200 HydrophobicContact CD2-CE2 4.15Å; Y94-F200 HydrophobicContact CD2-CZ 4.15Å; Y94-F200 AromaticContact CE2-CE2 3.47Å; Y94-F200 HydrophobicContact CE2-CE2 3.47Å; Y94-F200 VanDerWaalsContact CE2-CE2 3.47Å; Y94-F200 AromaticContact CE2-CZ 3.92Å; Y94-F200 HydrophobicContact CE2-CZ 3.92Å; Y94-L220 HydrophobicContact CD2-CD1 3.72Å; Y94-L220 HydrophobicContact CE2-CD1 3.75Å; Y94-F250 HydrophobicContact CE1-CE1 4.42Å; Y94-F250 AromaticContact CE1-CZ 3.94Å; Y94-F250 HydrophobicContact CE1-CZ 3.94Å; Y94-F250 AromaticContact CZ-CZ 3.75Å; Y94-F250 WeakPolarHBondContact OH-CZ 3.46Å; Y94-L254 HydrophobicContact CD1-CD1 4.19Å; Y94-L254 HydrophobicContact CD1-CD2 3.3Å; Y94-L254 HydrophobicContact CD1-CG 4.38Å; Y94-L254 HydrophobicContact CE1-CD1 3.66Å; Y94-L254 HydrophobicContact CE1-CD2 3.69Å; Y94-L254 HydrophobicContact CE1-CG 4.33Å; Y94-L254 HydrophobicContact CG-CD2 4.38Å
95	I	59.8	Low	56.7	Low	70 Å²	70	62.2 Å²	62.2	36%	0.359	34%	0.341	S	S	.	.	H	α-helix	trans	-63	-34.6	169.7	-73	163.7	0	0	0	109.9	A91 N99	A91-I95 WeakPolarHBondContact O-CA 3.28Å; A91-I95 WeakPolarHBondContact O-CB 3.24Å; A91-I95 VanDerWaalsContact O-CD1 3.31Å; A91-I95 WeakPolarHBondContact O-CD1 3.46Å; A91-I95 WeakPolarHBondContact O-CG1 3.13Å; A91-I95 PolarHBondContact O-N 3.08Å; I95-N99 VanDerWaalsContact CG2-ND2 3.3Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.48Å; I95-N99 WeakPolarHBondContact O-CB 3.48Å; I95-N99 PolarHBondContact O-N 2.9Å; I95-N99 PolarHBondContact O-ND2 2.94Å
96	S	60.9	Low	57.2	Low	75 Å²	75	60.3 Å²	60.3	52%	0.524	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-42.5	172.2	-177.1	0	0	0	0	111.1	A92 A93 Y94 N99 K100	A92-S96 WeakPolarHBondContact O-CA 3.45Å; A92-S96 WeakPolarHBondContact O-CB 3.5Å; A92-S96 PolarHBondContact O-N 3.19Å; A93-S96 WeakPolarHBondContact O-CB 3.47Å; A93-S96 PolarHBondContact O-N 2.9Å; Y94-S96 PolarHBondContact O-N 2.85Å; S96-N99 PolarHBondContact O-N 3.43Å; S96-K100 VanDerWaalsContact O-CB 3.3Å; S96-K100 WeakPolarHBondContact O-CB 3.38Å; S96-K100 PolarHBondContact O-N 2.94Å
97	Y	60.9	Low	57.5	Low	54 Å²	54	67.2 Å²	67.2	21%	0.212	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-40.7	174.6	-177.5	-104.2	0	0	0	112.2	A93 Y94 K100 L101 L220	A93-Y97 VanDerWaalsContact O-CB 3.31Å; A93-Y97 WeakPolarHBondContact O-CB 3.41Å; A93-Y97 PolarHBondContact O-N 2.89Å; Y94-Y97 HydrophobicContact CE2-CD1 4.43Å; Y94-Y97 CarbonylContact O-C 3.47Å; Y94-Y97 WeakPolarHBondContact O-CA 3.42Å; Y94-Y97 WeakPolarHBondContact O-CB 3.42Å; Y94-Y97 PolarHBondContact O-N 3.31Å; Y94-Y97 VanDerWaalsContact O-N 3.13Å; Y97-K100 CarbonylContact O-C 3.6Å; Y97-K100 WeakPolarHBondContact O-CA 3.39Å; Y97-K100 WeakPolarHBondContact O-CB 3.32Å; Y97-K100 PolarHBondContact O-N 3.34Å; Y97-K100 VanDerWaalsContact O-N 3.13Å; Y97-L101 HydrophobicContact CD1-CD1 3.71Å; Y97-L101 HydrophobicContact CD1-CG 4.1Å; Y97-L101 HydrophobicContact CE1-CD1 2.97Å; Y97-L101 HydrophobicContact CE1-CG 3.6Å; Y97-L101 HydrophobicContact CE2-CD1 4.27Å; Y97-L101 HydrophobicContact CE2-CG 4.05Å; Y97-L101 VanDerWaalsContact O-CB 3.25Å; Y97-L101 WeakPolarHBondContact O-CB 3.17Å; Y97-L101 PolarHBondContact O-N 3.05Å; Y97-L101 WeakPolarHBondContact OH-CD1 3.25Å; Y97-L220 HydrophobicContact CD1-CB 4.27Å; Y97-L220 HydrophobicContact CD1-CD1 3.59Å; Y97-L220 HydrophobicContact CD1-CD2 3.98Å; Y97-L220 HydrophobicContact CD1-CG 4.1Å; Y97-L220 HydrophobicContact CD2-CB 4.19Å; Y97-L220 HydrophobicContact CE1-CB 4.3Å; Y97-L220 HydrophobicContact CE1-CD1 3.64Å; Y97-L220 HydrophobicContact CE1-CD2 3.21Å; Y97-L220 HydrophobicContact CE1-CG 3.84Å; Y97-L220 HydrophobicContact CE2-CB 4.31Å; Y97-L220 HydrophobicContact CE2-CD2 3.94Å; Y97-L220 HydrophobicContact CG-CB 4.19Å; Y97-L220 HydrophobicContact CG-CD1 4.25Å; Y97-L220 VanDerWaalsContact OH-CD2 3.32Å; Y97-L220 WeakPolarHBondContact OH-CD2 3.49Å
98	L	55.8	Low	57.9	Low	19 Å²	19	67.6 Å²	67.6	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-68.1	-36.9	172.6	-71.3	-176.1	0	0	0	110.7	Y94 K100 L101 F102 G103 A196	Y94-L98 HydrophobicContact CD1-CD1 3.63Å; Y94-L98 HydrophobicContact CD1-CG 3.78Å; Y94-L98 HydrophobicContact CE1-CD1 3.23Å; Y94-L98 HydrophobicContact CE1-CD2 3.88Å; Y94-L98 HydrophobicContact CE1-CG 3.48Å; Y94-L98 VanDerWaalsContact CE1-CG 3.48Å; Y94-L98 HydrophobicContact CE2-CD2 4.25Å; Y94-L98 HydrophobicContact CE2-CG 4.3Å; Y94-L98 HydrophobicContact CG-CG 4.44Å; Y94-L98 WeakPolarHBondContact O-CB 3.46Å; Y94-L98 VanDerWaalsContact O-CG 3.32Å; Y94-L98 WeakPolarHBondContact O-CG 3.46Å; Y94-L98 PolarHBondContact O-N 3.39Å; L98-K100 PolarHBondContact O-N 2.91Å; L98-L101 CarbonylContact O-C 3.47Å; L98-L101 PolarHBondContact O-N 3.11Å; L98-F102 HydrophobicContact CB-CD2 4.19Å; L98-F102 HydrophobicContact CD2-CD2 3.34Å; L98-F102 HydrophobicContact CD2-CE2 3.47Å; L98-F102 VanDerWaalsContact CD2-CE2 3.47Å; L98-F102 HydrophobicContact CG-CD2 4.35Å; L98-F102 CarbonylContact O-C 3.56Å; L98-F102 WeakPolarHBondContact O-CA 3.19Å; L98-F102 WeakPolarHBondContact O-CB 3.16Å; L98-F102 PolarHBondContact O-N 3.15Å; L98-G103 PolarHBondContact O-N 3.34Å; L98-A196 HydrophobicContact CD2-CB 4.08Å
99	N	56.8	Low	58	Low	107 Å²	107	66.7 Å²	66.7	57%	0.572	34%	0.342	S	S	*	.	H	α-helix	trans	-68.6	-26.4	171.9	-75.7	-44.9	0	0	0	111.3	I95 S96 G103	I95-N99 VanDerWaalsContact CG2-ND2 3.3Å; I95-N99 WeakPolarHBondContact CG2-ND2 3.48Å; I95-N99 WeakPolarHBondContact O-CB 3.48Å; I95-N99 PolarHBondContact O-N 2.9Å; I95-N99 PolarHBondContact O-ND2 2.94Å; S96-N99 PolarHBondContact O-N 3.43Å; N99-G103 WeakPolarHBondContact O-CA 3.49Å; N99-G103 PolarHBondContact O-N 3.03Å
100	K	57.3	Low	58	Low	170 Å²	170	66.1 Å²	66.1	74%	0.739	35%	0.346	S	S	*	.	H	α-helix	trans	-80.7	-33.5	174.6	-168.7	179.2	178.7	-174.3	0	112.8	S96 Y97 L98	S96-K100 VanDerWaalsContact O-CB 3.3Å; S96-K100 WeakPolarHBondContact O-CB 3.38Å; S96-K100 PolarHBondContact O-N 2.94Å; Y97-K100 CarbonylContact O-C 3.6Å; Y97-K100 WeakPolarHBondContact O-CA 3.39Å; Y97-K100 WeakPolarHBondContact O-CB 3.32Å; Y97-K100 PolarHBondContact O-N 3.34Å; Y97-K100 VanDerWaalsContact O-N 3.13Å; L98-K100 PolarHBondContact O-N 2.91Å
101	L	51.9	Low	58.2	Low	34 Å²	34	70.7 Å²	70.7	18%	0.178	37%	0.37	C	S	.	.	H	α-helix	trans	-93.2	-22.4	179.6	-91	-166.1	0	0	0	114.3	Y97 L98 R106 M109	Y97-L101 HydrophobicContact CD1-CD1 3.71Å; Y97-L101 HydrophobicContact CD1-CG 4.1Å; Y97-L101 HydrophobicContact CE1-CD1 2.97Å; Y97-L101 HydrophobicContact CE1-CG 3.6Å; Y97-L101 HydrophobicContact CE2-CD1 4.27Å; Y97-L101 HydrophobicContact CE2-CG 4.05Å; Y97-L101 VanDerWaalsContact O-CB 3.25Å; Y97-L101 WeakPolarHBondContact O-CB 3.17Å; Y97-L101 PolarHBondContact O-N 3.05Å; Y97-L101 WeakPolarHBondContact OH-CD1 3.25Å; L98-L101 CarbonylContact O-C 3.47Å; L98-L101 PolarHBondContact O-N 3.11Å; L101-R106 WeakPolarHBondContact O-CD 3.27Å; L101-R106 VanDerWaalsContact O-CZ 3.27Å; L101-R106 PolarHBondContact O-NE 2.83Å; L101-R106 PolarHBondContact O-NH1 2.92Å; L101-M109 HydrophobicContact CD2-SD 4.49Å
102	F	51.6	Low	58.6	Low	20 Å²	20	71.6 Å²	71.6	9%	0.088	37%	0.372	C	S	.	.	H	α-helix	trans	-132	-9.7	-170.4	-59.6	-78	0	0	0	113.8	L98 R106 E192	L98-F102 HydrophobicContact CB-CD2 4.19Å; L98-F102 HydrophobicContact CD2-CD2 3.34Å; L98-F102 HydrophobicContact CD2-CE2 3.47Å; L98-F102 VanDerWaalsContact CD2-CE2 3.47Å; L98-F102 HydrophobicContact CG-CD2 4.35Å; L98-F102 CarbonylContact O-C 3.56Å; L98-F102 WeakPolarHBondContact O-CA 3.19Å; L98-F102 WeakPolarHBondContact O-CB 3.16Å; L98-F102 PolarHBondContact O-N 3.15Å; F102-R106 VanDerWaalsContact C-NE 3.31Å; F102-R106 VanDerWaalsContact CD1-NH2 3.31Å; F102-R106 VanDerWaalsContact N-CD 3.29Å; F102-R106 PolarHBondContact O-NE 2.73Å; F102-E192 HydrophobicContact CB-CG 4.47Å; F102-E192 HydrophobicContact CD1-CB 4.19Å; F102-E192 HydrophobicContact CD1-CG 3.57Å; F102-E192 HydrophobicContact CE1-CB 4.42Å; F102-E192 HydrophobicContact CE1-CG 4.03Å; F102-E192 HydrophobicContact CG-CB 4.38Å; F102-E192 HydrophobicContact CG-CG 4.06Å
103	G	52.8	Low	59.2	Low	14 Å²	14	72.1 Å²	72.1	14%	0.144	37%	0.367	C	S	.	.	S	Bend	trans	-74	162.4	-178.2	0	0	0	0	0	114.8	L98 N99 E105 R106	L98-G103 PolarHBondContact O-N 3.34Å; N99-G103 WeakPolarHBondContact O-CA 3.49Å; N99-G103 PolarHBondContact O-N 3.03Å; G103-E105 PolarHBondContact O-N 3.48Å; G103-R106 WeakPolarHBondContact O-CG 3.36Å; G103-R106 PolarHBondContact O-N 3.33Å; G103-R106 VanDerWaalsContact O-N 3.09Å
104	Q	50.5	Low	59.8	Low	136 Å²	136	74.8 Å²	74.8	64%	0.636	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-9.3	-168.8	-72.6	-177.6	-27	0	0	117.1
105	E	49.6	Very low	60.6	Low	201 Å²	201	78.1 Å²	78.1	94%	0.939	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	12.5	-179.7	-71.1	-174.3	159	0	0	114	G103	G103-E105 PolarHBondContact O-N 3.48Å
106	R	62.1	Low	61.5	Low	30 Å²	30	74.8 Å²	74.8	11%	0.113	38%	0.376	C	S	.	.	S	Bend	trans	-83.2	161.6	-179.3	72.2	179.8	172.8	116.9	-19	113.8	L101 F102 G103 E112 L181 E192	L101-R106 WeakPolarHBondContact O-CD 3.27Å; L101-R106 VanDerWaalsContact O-CZ 3.27Å; L101-R106 PolarHBondContact O-NE 2.83Å; L101-R106 PolarHBondContact O-NH1 2.92Å; F102-R106 VanDerWaalsContact C-NE 3.31Å; F102-R106 VanDerWaalsContact CD1-NH2 3.31Å; F102-R106 VanDerWaalsContact N-CD 3.29Å; F102-R106 PolarHBondContact O-NE 2.73Å; G103-R106 WeakPolarHBondContact O-CG 3.36Å; G103-R106 PolarHBondContact O-N 3.33Å; G103-R106 VanDerWaalsContact O-N 3.09Å; R106-E112 IonicContact CZ-OE1 2.63Å; R106-E112 IonicContact CZ-OE2 3.32Å; R106-E112 VanDerWaalsContact CZ-OE2 3.3Å; R106-E112 IonicContact NH1-OE1 3.9Å; R106-E112 IonicContact NH1-OE2 3.45Å; R106-E112 PolarHBondContact NH1-OE2 3.43Å; R106-E112 VanDerWaalsContact NH2-CD 3.35Å; R106-E112 IonicContact NH2-OE1 3.55Å; R106-E112 PolarHBondContact NH2-OE1 2.9Å; R106-E112 IonicContact NH2-OE2 2.67Å; R106-E112 PolarHBondContact NH2-OE2 3.21Å; R106-L181 HydrophobicContact CG-CD1 4.18Å; R106-L181 HydrophobicContact CG-CD2 4.23Å; R106-E192 IonicContact NH2-OE1 3.3Å
107	E	58.7	Low	62.5	Low	179 Å²	179	74.7 Å²	74.7	84%	0.836	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-70.9	144.1	163.8	-67.7	176.3	175.9	0	0	110.6	M109	E107-M109 PolarHBondContact O-N 2.82Å
108	L	60.8	Low	63.6	Low	37 Å²	37	79 Å²	79	19%	0.194	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-62.5	133.9	177.4	-67.9	163.8	0	0	0	110	E112 I113 L116 C173	L108-E112 HydrophobicContact CD2-CB 4.35Å; L108-I113 HydrophobicContact CB-CD1 4.25Å; L108-I113 HydrophobicContact CB-CG1 3.76Å; L108-L116 HydrophobicContact CD1-CD1 3.66Å; L108-L116 HydrophobicContact CD2-CD1 4.4Å; L108-C173 HydrophobicContact CD1-CB 4.21Å
109	M	60.5	Low	64.8	Low	54 Å²	54	78.4 Å²	78.4	27%	0.266	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-73.4	153.3	176.8	-71	-75.2	-74.5	0	0	110	L101 E107 L111 E112 I113	L101-M109 HydrophobicContact CD2-SD 4.49Å; E107-M109 PolarHBondContact O-N 2.82Å; M109-L111 PolarHBondContact O-N 3.4Å; M109-L111 VanDerWaalsContact O-N 3.07Å; M109-E112 HydrophobicContact CB-CG 4.33Å; M109-E112 WeakPolarHBondContact CB-OE2 3.47Å; M109-E112 PolarHBondContact N-OE2 3.11Å; M109-E112 WeakPolarHBondContact O-CA 3.37Å; M109-E112 WeakPolarHBondContact O-CB 3.4Å; M109-E112 PolarHBondContact O-N 2.95Å; M109-I113 WeakPolarHBondContact O-CG1 3.36Å; M109-I113 PolarHBondContact O-N 3.33Å
110	P	62.1	Low	66.1	Low	89 Å²	89	73.9 Å²	73.9	58%	0.578	36%	0.363	S	S	*	.	H	α-helix	trans	-52.2	-36.9	179.9	-28	35	0	0	0	113.8	E112 I113 D114	P110-E112 VanDerWaalsContact C-N 3.34Å; P110-E112 PolarHBondContact O-N 2.97Å; P110-I113 PolarHBondContact O-N 2.84Å; P110-D114 PolarHBondContact O-N 2.92Å
111	L	63.3	Low	67.4	Low	101 Å²	101	72 Å²	72	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-36	177	-170.6	71.7	0	0	0	112.9	M109 D114 E115	M109-L111 PolarHBondContact O-N 3.4Å; M109-L111 VanDerWaalsContact O-N 3.07Å; L111-D114 PolarHBondContact O-N 3.4Å; L111-E115 PolarHBondContact O-N 3.09Å
112	E	68.8	Low	68.9	Low	30 Å²	30	75.4 Å²	75.4	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-76.7	-33.5	177.9	-60.2	172	134.4	0	0	110.9	R106 L108 M109 P110 D114 E115 L116	R106-E112 IonicContact CZ-OE1 2.63Å; R106-E112 IonicContact CZ-OE2 3.32Å; R106-E112 VanDerWaalsContact CZ-OE2 3.3Å; R106-E112 IonicContact NH1-OE1 3.9Å; R106-E112 IonicContact NH1-OE2 3.45Å; R106-E112 PolarHBondContact NH1-OE2 3.43Å; R106-E112 VanDerWaalsContact NH2-CD 3.35Å; R106-E112 IonicContact NH2-OE1 3.55Å; R106-E112 PolarHBondContact NH2-OE1 2.9Å; R106-E112 IonicContact NH2-OE2 2.67Å; R106-E112 PolarHBondContact NH2-OE2 3.21Å; L108-E112 HydrophobicContact CD2-CB 4.35Å; M109-E112 HydrophobicContact CB-CG 4.33Å; M109-E112 WeakPolarHBondContact CB-OE2 3.47Å; M109-E112 PolarHBondContact N-OE2 3.11Å; M109-E112 WeakPolarHBondContact O-CA 3.37Å; M109-E112 WeakPolarHBondContact O-CB 3.4Å; M109-E112 PolarHBondContact O-N 2.95Å; P110-E112 VanDerWaalsContact C-N 3.34Å; P110-E112 PolarHBondContact O-N 2.97Å; E112-D114 VanDerWaalsContact C-N 3.31Å; E112-E115 PolarHBondContact O-N 3.36Å; E112-L116 WeakPolarHBondContact O-CB 3.5Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.21Å; E112-L116 PolarHBondContact O-N 2.91Å
113	I	75.2	Confident	70.3	Confident	61 Å²	61	75 Å²	75	31%	0.313	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-40.9	170.2	-62.2	170.4	0	0	0	109.7	L108 M109 P110 L116 Q117 F169	L108-I113 HydrophobicContact CB-CD1 4.25Å; L108-I113 HydrophobicContact CB-CG1 3.76Å; M109-I113 WeakPolarHBondContact O-CG1 3.36Å; M109-I113 PolarHBondContact O-N 3.33Å; P110-I113 PolarHBondContact O-N 2.84Å; I113-L116 PolarHBondContact O-N 3.22Å; I113-Q117 VanDerWaalsContact O-CB 3.26Å; I113-Q117 WeakPolarHBondContact O-CB 3.14Å; I113-Q117 PolarHBondContact O-N 3.17Å; I113-F169 HydrophobicContact CG2-CE1 4.42Å; I113-F169 HydrophobicContact CG2-CZ 4.09Å
114	D	76.3	Confident	71.7	Confident	84 Å²	84	75.4 Å²	75.4	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-45	175	-69.8	-21.6	0	0	0	111.2	P110 L111 E112 L116 Q117 E118	P110-D114 PolarHBondContact O-N 2.92Å; L111-D114 PolarHBondContact O-N 3.4Å; E112-D114 VanDerWaalsContact C-N 3.31Å; D114-L116 VanDerWaalsContact C-N 3.35Å; D114-L116 PolarHBondContact O-N 3.11Å; D114-Q117 PolarHBondContact O-N 3.43Å; D114-Q117 VanDerWaalsContact O-N 3.16Å; D114-E118 PolarHBondContact O-N 2.97Å
115	E	76.1	Confident	73	Confident	75 Å²	75	77.2 Å²	77.2	35%	0.35	37%	0.369	S	S	.	.	H	α-helix	trans	-59.3	-43.8	174.1	-73.9	-171.3	171	0	0	111.3	L111 E112 Q117 E118 A119 K191	L111-E115 PolarHBondContact O-N 3.09Å; E112-E115 PolarHBondContact O-N 3.36Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 2.78Å; E115-E118 PolarHBondContact O-N 3.3Å; E115-A119 WeakPolarHBondContact O-CB 3.28Å; E115-A119 PolarHBondContact O-N 2.95Å; E115-K191 IonicContact OE1-NZ 3.1Å; E115-K191 PolarHBondContact OE1-NZ 3Å; E115-K191 VanDerWaalsContact OE1-NZ 3.1Å; E115-K191 IonicContact OE2-NZ 3.88Å
116	L	78.6	Confident	74.5	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-35.8	175.2	-76.1	169.2	0	0	0	112.4	L108 E112 I113 D114 F120 M143 F169 F172 M176 M180	L108-L116 HydrophobicContact CD1-CD1 3.66Å; L108-L116 HydrophobicContact CD2-CD1 4.4Å; E112-L116 WeakPolarHBondContact O-CB 3.5Å; E112-L116 VanDerWaalsContact O-CG 3.28Å; E112-L116 WeakPolarHBondContact O-CG 3.21Å; E112-L116 PolarHBondContact O-N 2.91Å; I113-L116 PolarHBondContact O-N 3.22Å; D114-L116 VanDerWaalsContact C-N 3.35Å; D114-L116 PolarHBondContact O-N 3.11Å; L116-F120 VanDerWaalsContact O-CB 3.31Å; L116-F120 WeakPolarHBondContact O-CB 3.3Å; L116-F120 PolarHBondContact O-N 3.2Å; L116-M143 HydrophobicContact CD2-SD 3.92Å; L116-F169 HydrophobicContact CB-CE2 4.5Å; L116-F172 HydrophobicContact CB-CE1 4.33Å; L116-F172 HydrophobicContact CD2-CD1 4.18Å; L116-F172 HydrophobicContact CD2-CE1 3.64Å; L116-F172 HydrophobicContact CD2-CZ 4.43Å; L116-M176 HydrophobicContact CD2-CB 3.66Å; L116-M176 HydrophobicContact CD2-CG 4.42Å; L116-M180 HydrophobicContact CD1-SD 4.34Å; L116-M180 HydrophobicContact CD2-SD 3.42Å; L116-M180 WeakPolarHBondContact CD2-SD 3.35Å; L116-M180 HydrophobicContact CG-SD 3.79Å
117	Q	83.3	Confident	75.4	Confident	74 Å²	74	75.8 Å²	75.8	35%	0.346	38%	0.381	S	S	.	.	H	α-helix	trans	-72.2	-39.2	179.5	-166.4	-175.7	30.6	0	0	111.8	I113 D114 E115 F120 K121 F169	I113-Q117 VanDerWaalsContact O-CB 3.26Å; I113-Q117 WeakPolarHBondContact O-CB 3.14Å; I113-Q117 PolarHBondContact O-N 3.17Å; D114-Q117 PolarHBondContact O-N 3.43Å; D114-Q117 VanDerWaalsContact O-N 3.16Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 2.78Å; Q117-F120 PolarHBondContact O-N 2.98Å; Q117-K121 WeakPolarHBondContact O-CG 3.39Å; Q117-K121 PolarHBondContact O-N 2.86Å; Q117-F169 HydrophobicContact CB-CE2 3.85Å; Q117-F169 HydrophobicContact CB-CZ 3.87Å; Q117-F169 HydrophobicContact CG-CE2 4.11Å; Q117-F169 HydrophobicContact CG-CZ 4.16Å
118	E	82.6	Confident	76.5	Confident	144 Å²	144	71 Å²	71	67%	0.673	36%	0.362	S	S	*	.	H	α-helix	trans	-63	-46.3	172.6	-74.7	-170.1	165.3	0	0	110.8	D114 E115 F120 K121 E122	D114-E118 PolarHBondContact O-N 2.97Å; E115-E118 PolarHBondContact O-N 3.3Å; E118-F120 PolarHBondContact O-N 3.22Å; E118-K121 PolarHBondContact O-N 3.11Å; E118-E122 PolarHBondContact O-N 2.92Å; E118-E122 VanDerWaalsContact O-N 3.08Å
119	A	81.9	Confident	77.6	Confident	6 Å²	6	70.7 Å²	70.7	5%	0.05	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-46	173.8	0	0	0	0	0	111.2	E115 K121 E122 F123 M143	E115-A119 WeakPolarHBondContact O-CB 3.28Å; E115-A119 PolarHBondContact O-N 2.95Å; A119-K121 VanDerWaalsContact C-N 3.32Å; A119-K121 PolarHBondContact O-N 2.89Å; A119-E122 WeakPolarHBondContact O-CB 3.08Å; A119-E122 PolarHBondContact O-N 3.33Å; A119-F123 VanDerWaalsContact O-CD2 3.26Å; A119-F123 WeakPolarHBondContact O-CD2 3.27Å; A119-F123 PolarHBondContact O-N 3.47Å; A119-M143 HydrophobicContact CB-CG 3.46Å; A119-M143 VanDerWaalsContact CB-CG 3.46Å; A119-M143 HydrophobicContact CB-SD 3.55Å; A119-M143 VanDerWaalsContact CB-SD 3.55Å
120	F	83.6	Confident	78.8	Confident	13 Å²	13	72.4 Å²	72.4	6%	0.057	37%	0.373	C	S	.	.	H	α-helix	trans	-57.9	-45	-180	-170.6	-87.3	0	0	0	112.1	L116 Q117 E118 E122 F123 D124 G129 I131 F169 F172	L116-F120 VanDerWaalsContact O-CB 3.31Å; L116-F120 WeakPolarHBondContact O-CB 3.3Å; L116-F120 PolarHBondContact O-N 3.2Å; Q117-F120 PolarHBondContact O-N 2.98Å; E118-F120 PolarHBondContact O-N 3.22Å; F120-E122 VanDerWaalsContact C-N 3.28Å; F120-E122 PolarHBondContact O-N 2.85Å; F120-F123 PolarHBondContact O-N 3.43Å; F120-D124 HydrophobicContact CD1-CB 4.23Å; F120-D124 HydrophobicContact CE1-CB 4Å; F120-D124 VanDerWaalsContact O-CB 3.32Å; F120-D124 WeakPolarHBondContact O-CB 3.19Å; F120-D124 PolarHBondContact O-N 3.36Å; F120-G129 WeakPolarHBondContact CZ-O 3.09Å; F120-I131 HydrophobicContact CB-CD1 4.49Å; F120-I131 HydrophobicContact CD2-CD1 3.32Å; F120-I131 HydrophobicContact CD2-CG1 3.95Å; F120-I131 HydrophobicContact CE2-CB 4.48Å; F120-I131 HydrophobicContact CE2-CD1 3.56Å; F120-I131 HydrophobicContact CE2-CG1 3.66Å; F120-I131 HydrophobicContact CG-CD1 3.97Å; F120-I131 HydrophobicContact CZ-CD1 4.35Å; F120-I131 HydrophobicContact CZ-CG1 4.07Å; F120-F169 HydrophobicContact CB-CD2 3.85Å; F120-F169 HydrophobicContact CB-CE2 4.22Å; F120-F169 HydrophobicContact CD1-CD2 4.29Å; F120-F169 HydrophobicContact CD2-CB 4.36Å; F120-F169 AromaticContact CD2-CD2 3.96Å; F120-F169 HydrophobicContact CD2-CD2 3.96Å; F120-F169 HydrophobicContact CE1-CB 4.41Å; F120-F169 HydrophobicContact CE2-CB 4.23Å; F120-F169 AromaticContact CG-CD2 3.76Å; F120-F169 HydrophobicContact CG-CD2 3.76Å; F120-F169 HydrophobicContact CZ-CB 4.26Å; F120-F172 HydrophobicContact CB-CD1 4.37Å; F120-F172 HydrophobicContact CB-CE1 4.37Å; F120-F172 HydrophobicContact CD2-CB 3.87Å; F120-F172 AromaticContact CD2-CD1 3.91Å; F120-F172 HydrophobicContact CD2-CD1 3.91Å; F120-F172 HydrophobicContact CD2-CD2 4.34Å; F120-F172 AromaticContact CD2-CG 3.8Å; F120-F172 HydrophobicContact CD2-CG 3.8Å; F120-F172 HydrophobicContact CE2-CB 4.06Å; F120-F172 HydrophobicContact CE2-CG 4.39Å
121	K	84.3	Confident	80	Confident	130 Å²	130	68.2 Å²	68.2	57%	0.565	35%	0.346	S	S	*	.	H	α-helix	trans	-65.6	-28.8	177.1	-73	170.9	-175.8	162.2	0	113.6	Q117 E118 A119 F123	Q117-K121 WeakPolarHBondContact O-CG 3.39Å; Q117-K121 PolarHBondContact O-N 2.86Å; E118-K121 PolarHBondContact O-N 3.11Å; A119-K121 VanDerWaalsContact C-N 3.32Å; A119-K121 PolarHBondContact O-N 2.89Å; K121-F123 VanDerWaalsContact C-N 3.3Å
122	E	83.5	Confident	81.1	Confident	105 Å²	105	66 Å²	66	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-70.4	-30.1	177.4	-170.2	174.3	177.3	0	0	111.8	E118 A119 F120 Y125	E118-E122 PolarHBondContact O-N 2.92Å; E118-E122 VanDerWaalsContact O-N 3.08Å; A119-E122 WeakPolarHBondContact O-CB 3.08Å; A119-E122 PolarHBondContact O-N 3.33Å; F120-E122 VanDerWaalsContact C-N 3.28Å; F120-E122 PolarHBondContact O-N 2.85Å; E122-Y125 WeakPolarHBondContact O-CE1 3.32Å
123	F	81.2	Confident	81.8	Confident	11 Å²	11	67.2 Å²	67.2	5%	0.048	34%	0.336	C	S	.	.	H	α-helix	trans	-101.8	-20.9	-176.5	-73.3	-84.4	0	0	0	114.5	A119 F120 K121 Y125 I131 D138 C139 T142	A119-F123 VanDerWaalsContact O-CD2 3.26Å; A119-F123 WeakPolarHBondContact O-CD2 3.27Å; A119-F123 PolarHBondContact O-N 3.47Å; F120-F123 PolarHBondContact O-N 3.43Å; K121-F123 VanDerWaalsContact C-N 3.3Å; F123-Y125 VanDerWaalsContact C-N 3.26Å; F123-Y125 WeakPolarHBondContact O-CD2 2.86Å; F123-Y125 PolarHBondContact O-N 2.84Å; F123-I131 HydrophobicContact CB-CD1 3.95Å; F123-I131 HydrophobicContact CB-CG1 4.29Å; F123-D138 HydrophobicContact CE1-CB 3.8Å; F123-C139 HydrophobicContact CB-CB 4.34Å; F123-C139 HydrophobicContact CD1-CB 3.74Å; F123-C139 HydrophobicContact CD2-CB 3.74Å; F123-C139 VanDerWaalsContact CD2-SG 3.51Å; F123-C139 VanDerWaalsContact CE1-CA 3.48Å; F123-C139 HydrophobicContact CE1-CB 4.01Å; F123-C139 VanDerWaalsContact CE1-N 3.28Å; F123-C139 VanDerWaalsContact CE2-CA 3.49Å; F123-C139 HydrophobicContact CE2-CB 4.05Å; F123-C139 HydrophobicContact CG-CB 3.62Å; F123-C139 HydrophobicContact CZ-CB 4.18Å; F123-T142 HydrophobicContact CE2-CG2 3.8Å; F123-T142 HydrophobicContact CZ-CG2 4.03Å; F123-T142 WeakPolarHBondContact CZ-OG1 3.38Å
124	D	83.1	Confident	82.3	Confident	23 Å²	23	70.7 Å²	70.7	12%	0.123	35%	0.349	C	S	.	.			trans	-78.5	71.1	168.4	-177.2	9.7	0	0	0	110.4	F120 D126 A127 D128 G129	F120-D124 HydrophobicContact CD1-CB 4.23Å; F120-D124 HydrophobicContact CE1-CB 4Å; F120-D124 VanDerWaalsContact O-CB 3.32Å; F120-D124 WeakPolarHBondContact O-CB 3.19Å; F120-D124 PolarHBondContact O-N 3.36Å; D124-D126 VanDerWaalsContact C-N 3.32Å; D124-D126 PolarHBondContact O-N 2.84Å; D124-A127 PolarHBondContact O-N 3.09Å; D124-A127 WeakPolarHBondContact OD1-CA 3.04Å; D124-A127 PolarHBondContact OD1-N 3.42Å; D124-D128 PolarHBondContact OD1-N 3.07Å; D124-G129 PolarHBondContact OD1-N 3.02Å; D124-G129 VanDerWaalsContact OD2-CA 3.26Å; D124-G129 WeakPolarHBondContact OD2-CA 3.43Å; D124-G129 PolarHBondContact OD2-N 3.41Å
125	Y	77.9	Confident	82.8	Confident	175 Å²	175	69.6 Å²	69.6	69%	0.686	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-32.1	-174.2	-67.2	-77.4	0	0	0	114	E122 F123	E122-Y125 WeakPolarHBondContact O-CE1 3.32Å; F123-Y125 VanDerWaalsContact C-N 3.26Å; F123-Y125 WeakPolarHBondContact O-CD2 2.86Å; F123-Y125 PolarHBondContact O-N 2.84Å
126	D	80.4	Confident	83.2	Confident	118 Å²	118	66 Å²	66	63%	0.631	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.7	178.5	51.5	-18.1	0	0	0	113.1	D124 D128	D124-D126 VanDerWaalsContact C-N 3.32Å; D124-D126 PolarHBondContact O-N 2.84Å; D126-D128 PolarHBondContact O-N 3.33Å
127	A	80.4	Confident	83.5	Confident	83 Å²	83	66.6 Å²	66.6	69%	0.686	33%	0.331	S	S	*	.			trans	51.9	35.3	-179.3	0	0	0	0	0	111.6	D124	D124-A127 PolarHBondContact O-N 3.09Å; D124-A127 WeakPolarHBondContact OD1-CA 3.04Å; D124-A127 PolarHBondContact OD1-N 3.42Å
128	D	83.5	Confident	83.5	Confident	78 Å²	78	66.8 Å²	66.8	42%	0.417	34%	0.335	S	S	.	.	S	Bend	trans	-84.5	-7.2	179.4	84.8	-16.5	0	0	0	111.5	D124 D126 F130	D124-D128 PolarHBondContact OD1-N 3.07Å; D126-D128 PolarHBondContact O-N 3.33Å; D128-F130 VanDerWaalsContact O-CD2 3.25Å; D128-F130 WeakPolarHBondContact O-CD2 3.42Å; D128-F130 WeakPolarHBondContact O-CE2 3.4Å; D128-F130 WeakPolarHBondContact OD1-CA 3.47Å; D128-F130 WeakPolarHBondContact OD1-CB 2.89Å; D128-F130 PolarHBondContact OD1-N 3.46Å; D128-F130 VanDerWaalsContact OD1-O 3.14Å
129	G	83.6	Confident	83.6	Confident	30 Å²	30	59.9 Å²	59.9	31%	0.309	30%	0.303	S	S	.	.	S	Bend	trans	85.2	12.5	-179.6	0	0	0	0	0	113.3	F120 D124	F120-G129 WeakPolarHBondContact CZ-O 3.09Å; D124-G129 PolarHBondContact OD1-N 3.02Å; D124-G129 VanDerWaalsContact OD2-CA 3.26Å; D124-G129 WeakPolarHBondContact OD2-CA 3.43Å; D124-G129 PolarHBondContact OD2-N 3.41Å
130	F	85.9	Confident	83.5	Confident	90 Å²	90	59.6 Å²	59.6	40%	0.395	30%	0.3	S	S	.	.			trans	-135.1	138.5	-177.8	-59.4	-83.7	0	0	0	112.7	D128 H166 V167 D168	D128-F130 VanDerWaalsContact O-CD2 3.25Å; D128-F130 WeakPolarHBondContact O-CD2 3.42Å; D128-F130 WeakPolarHBondContact O-CE2 3.4Å; D128-F130 WeakPolarHBondContact OD1-CA 3.47Å; D128-F130 WeakPolarHBondContact OD1-CB 2.89Å; D128-F130 PolarHBondContact OD1-N 3.46Å; D128-F130 VanDerWaalsContact OD1-O 3.14Å; F130-H166 HydrophobicContact CB-CB 4.35Å; F130-H166 HydrophobicContact CD1-CB 4.16Å; F130-H166 HydrophobicContact CG-CB 4.47Å; F130-V167 CarbonylContact C-O 3.56Å; F130-V167 WeakPolarHBondContact CA-O 3.27Å; F130-D168 HydrophobicContact CD1-CB 3.93Å; F130-D168 HydrophobicContact CE1-CB 3.81Å
131	I	85.9	Confident	83.5	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.3	168.2	-62.1	173.9	0	0	0	108.9	F120 F123 D135 I136 V167 F172	F120-I131 HydrophobicContact CB-CD1 4.49Å; F120-I131 HydrophobicContact CD2-CD1 3.32Å; F120-I131 HydrophobicContact CD2-CG1 3.95Å; F120-I131 HydrophobicContact CE2-CB 4.48Å; F120-I131 HydrophobicContact CE2-CD1 3.56Å; F120-I131 HydrophobicContact CE2-CG1 3.66Å; F120-I131 HydrophobicContact CG-CD1 3.97Å; F120-I131 HydrophobicContact CZ-CD1 4.35Å; F120-I131 HydrophobicContact CZ-CG1 4.07Å; F123-I131 HydrophobicContact CB-CD1 3.95Å; F123-I131 HydrophobicContact CB-CG1 4.29Å; I131-D135 HydrophobicContact CG2-CB 4.42Å; I131-I136 HydrophobicContact CG2-CD1 4.25Å; I131-V167 PolarHBondContact N-O 2.99Å; I131-V167 PolarHBondContact O-N 2.89Å; I131-F172 HydrophobicContact CD1-CD2 4.07Å; I131-F172 HydrophobicContact CD1-CE2 4.03Å
132	H	86.9	Confident	83.2	Confident	56 Å²	56	61.8 Å²	61.8	26%	0.259	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	143.6	175.9	-169.9	-89.8	0	0	0	110.8	K134 D135 I136 H166	H132-K134 PolarHBondContact ND1-N 3.23Å; H132-K134 PolarHBondContact O-N 3.45Å; H132-D135 PolarHBondContact O-N 3.1Å; H132-I136 PolarHBondContact O-N 2.82Å; H132-H166 AromaticContact CD2-CE1 3.83Å
133	Y	83.8	Confident	82.6	Confident	54 Å²	54	58.9 Å²	58.9	21%	0.212	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-15.5	-176.8	75	-95	0	0	0	115.2	I136 I156 K160 G165	Y133-I136 WeakPolarHBondContact O-CG2 3.48Å; Y133-I156 HydrophobicContact CD2-CG2 3.64Å; Y133-I156 HydrophobicContact CE2-CG2 4.27Å; Y133-I156 HydrophobicContact CG-CG2 4.38Å; Y133-K160 HydrophobicContact CD1-CG 4.23Å; Y133-K160 HydrophobicContact CD2-CD 4.34Å; Y133-K160 HydrophobicContact CE1-CD 4.47Å; Y133-K160 HydrophobicContact CE2-CD 4.34Å; Y133-K160 HydrophobicContact CG-CD 4.44Å; Y133-K160 HydrophobicContact CG-CG 4.26Å; Y133-G165 WeakPolarHBondContact CD1-O 3.32Å; Y133-G165 PolarHBondContact N-O 2.82Å; Y133-G165 VanDerWaalsContact N-O 3.12Å
134	K	84.8	Confident	82.1	Confident	134 Å²	134	61.4 Å²	61.4	58%	0.583	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-33.6	177.2	-72.1	175.5	-178.6	172.8	0	111.6	H132	H132-K134 PolarHBondContact ND1-N 3.23Å; H132-K134 PolarHBondContact O-N 3.45Å
135	D	86.6	Confident	81.7	Confident	61 Å²	61	61.2 Å²	61.2	33%	0.326	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-10.2	-175	-51.4	-57.7	0	0	0	111.3	I131 H132 A137 D138 C139	I131-D135 HydrophobicContact CG2-CB 4.42Å; H132-D135 PolarHBondContact O-N 3.1Å; D135-A137 PolarHBondContact O-N 2.83Å; D135-D138 PolarHBondContact O-N 2.76Å; D135-C139 WeakPolarHBondContact O-CB 3.41Å; D135-C139 PolarHBondContact O-N 3.32Å
136	I	85.6	Confident	81.7	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.9	-34.2	177.9	-151.3	72.6	0	0	0	112.5	I131 H132 Y133 C139 M140 L152 I155 I156 I159 F172 L175 M176	I131-I136 HydrophobicContact CG2-CD1 4.25Å; H132-I136 PolarHBondContact O-N 2.82Å; Y133-I136 WeakPolarHBondContact O-CG2 3.48Å; I136-C139 PolarHBondContact O-N 2.95Å; I136-M140 WeakPolarHBondContact O-CB 3.44Å; I136-M140 WeakPolarHBondContact O-CG 3.32Å; I136-M140 PolarHBondContact O-N 3.06Å; I136-L152 HydrophobicContact CG2-CD1 4.24Å; I136-I155 HydrophobicContact CG1-CG2 4.39Å; I136-I155 HydrophobicContact CG2-CG2 4.37Å; I136-I156 HydrophobicContact CG2-CG1 4Å; I136-I159 HydrophobicContact CB-CD1 4.19Å; I136-I159 HydrophobicContact CD1-CD1 4.18Å; I136-I159 HydrophobicContact CG1-CD1 3.8Å; I136-I159 HydrophobicContact CG2-CD1 4.15Å; I136-F172 HydrophobicContact CD1-CD2 4.23Å; I136-F172 HydrophobicContact CD1-CE2 4.16Å; I136-L175 HydrophobicContact CD1-CD2 4.03Å; I136-L175 HydrophobicContact CG1-CD2 4.13Å; I136-M176 HydrophobicContact CD1-CE 3.59Å; I136-M176 HydrophobicContact CG1-CE 3.72Å
137	A	84.7	Confident	81.6	Confident	12 Å²	12	55.2 Å²	55.2	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-41.6	-178.4	0	0	0	0	0	111.9	D135 R141 L152	D135-A137 PolarHBondContact O-N 2.83Å; A137-R141 WeakPolarHBondContact O-CG 3.38Å; A137-R141 PolarHBondContact O-N 3.46Å; A137-R141 PolarHBondContact O-NE 2.93Å; A137-R141 PolarHBondContact O-NH1 3.34Å; A137-L152 HydrophobicContact CB-CD1 3.84Å; A137-L152 HydrophobicContact CB-CD2 3.77Å; A137-L152 HydrophobicContact CB-CG 4.44Å
138	D	83.6	Confident	81.9	Confident	78 Å²	78	55 Å²	55	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-71.6	-40.4	175.8	-70.1	-48.3	0	0	0	110.5	F123 D135 M140 R141 T142	F123-D138 HydrophobicContact CE1-CB 3.8Å; D135-D138 PolarHBondContact O-N 2.76Å; D138-M140 PolarHBondContact O-N 3.47Å; D138-R141 PolarHBondContact O-N 2.91Å; D138-R141 VanDerWaalsContact O-N 3.17Å; D138-R141 IonicContact OD1-CZ 3.52Å; D138-R141 IonicContact OD1-NE 3.64Å; D138-R141 IonicContact OD1-NH2 2.64Å; D138-R141 PolarHBondContact OD1-NH2 3.34Å; D138-T142 PolarHBondContact O-N 3.3Å; D138-T142 PolarHBondContact O-OG1 2.85Å
139	C	83.6	Confident	82	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-54.4	-50.3	175.1	-174.2	0	0	0	0	112.5	F123 D135 I136 R141 T142 M143 F172	F123-C139 HydrophobicContact CB-CB 4.34Å; F123-C139 HydrophobicContact CD1-CB 3.74Å; F123-C139 HydrophobicContact CD2-CB 3.74Å; F123-C139 VanDerWaalsContact CD2-SG 3.51Å; F123-C139 VanDerWaalsContact CE1-CA 3.48Å; F123-C139 HydrophobicContact CE1-CB 4.01Å; F123-C139 VanDerWaalsContact CE1-N 3.28Å; F123-C139 VanDerWaalsContact CE2-CA 3.49Å; F123-C139 HydrophobicContact CE2-CB 4.05Å; F123-C139 HydrophobicContact CG-CB 3.62Å; F123-C139 HydrophobicContact CZ-CB 4.18Å; D135-C139 WeakPolarHBondContact O-CB 3.41Å; D135-C139 PolarHBondContact O-N 3.32Å; I136-C139 PolarHBondContact O-N 2.95Å; C139-R141 VanDerWaalsContact C-N 3.33Å; C139-R141 PolarHBondContact O-N 3.34Å; C139-T142 PolarHBondContact O-N 3.35Å; C139-M143 WeakPolarHBondContact O-CG 3.47Å; C139-M143 PolarHBondContact O-N 2.99Å; C139-F172 WeakPolarHBondContact SG-CE2 3.37Å; C139-F172 WeakPolarHBondContact SG-CZ 3.31Å
140	M	80.3	Confident	82.1	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-44.6	177.5	-74.9	-175.7	110.3	0	0	112.8	I136 D138 T142 M143 G144 Y145 P147 L152 I155 M176	I136-M140 WeakPolarHBondContact O-CB 3.44Å; I136-M140 WeakPolarHBondContact O-CG 3.32Å; I136-M140 PolarHBondContact O-N 3.06Å; D138-M140 PolarHBondContact O-N 3.47Å; M140-T142 PolarHBondContact O-N 3.19Å; M140-M143 HydrophobicContact CG-CE 4.49Å; M140-M143 PolarHBondContact O-N 2.99Å; M140-G144 PolarHBondContact O-N 3.16Å; M140-Y145 CarbonylContact C-O 3.18Å; M140-Y145 HydrophobicContact CB-CD1 4.08Å; M140-Y145 HydrophobicContact CE-CD1 3.27Å; M140-Y145 HydrophobicContact CE-CE1 3.27Å; M140-Y145 HydrophobicContact CE-CG 4.3Å; M140-Y145 HydrophobicContact CG-CD1 4.28Å; M140-Y145 WeakPolarHBondContact O-CA 3.4Å; M140-Y145 WeakPolarHBondContact O-CB 3.46Å; M140-Y145 PolarHBondContact O-N 3.16Å; M140-Y145 HydrophobicContact SD-CD1 4.06Å; M140-Y145 HydrophobicContact SD-CE1 4.23Å; M140-P147 HydrophobicContact CB-CG 4.37Å; M140-P147 HydrophobicContact SD-CG 4.05Å; M140-L152 HydrophobicContact SD-CD1 4.49Å; M140-I155 HydrophobicContact CE-CD1 3.37Å; M140-I155 HydrophobicContact CE-CG1 4.46Å; M140-I155 HydrophobicContact SD-CD1 3.6Å; M140-M176 HydrophobicContact CE-CE 3.96Å; M140-M176 HydrophobicContact CE-SD 3.63Å; M140-M176 HydrophobicContact CG-CE 3.27Å; M140-M176 HydrophobicContact CG-SD 3.85Å; M140-M176 HydrophobicContact SD-CE 4Å; M140-M176 HydrophobicContact SD-SD 4.44Å
141	R	83.3	Confident	82.1	Confident	112 Å²	112	62.3 Å²	62.3	42%	0.423	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-38.9	179.2	-74.1	-173.4	-72.7	-90.4	6.6	112.4	A137 D138 C139 M143 G144 Y145	A137-R141 WeakPolarHBondContact O-CG 3.38Å; A137-R141 PolarHBondContact O-N 3.46Å; A137-R141 PolarHBondContact O-NE 2.93Å; A137-R141 PolarHBondContact O-NH1 3.34Å; D138-R141 PolarHBondContact O-N 2.91Å; D138-R141 VanDerWaalsContact O-N 3.17Å; D138-R141 IonicContact OD1-CZ 3.52Å; D138-R141 IonicContact OD1-NE 3.64Å; D138-R141 IonicContact OD1-NH2 2.64Å; D138-R141 PolarHBondContact OD1-NH2 3.34Å; C139-R141 VanDerWaalsContact C-N 3.33Å; C139-R141 PolarHBondContact O-N 3.34Å; R141-M143 VanDerWaalsContact C-N 3.33Å; R141-G144 WeakPolarHBondContact O-CA 3.4Å; R141-G144 PolarHBondContact O-N 2.83Å; R141-Y145 VanDerWaalsContact CA-O 3.31Å; R141-Y145 WeakPolarHBondContact CA-O 3.3Å; R141-Y145 PolarHBondContact N-O 3.24Å
142	T	78.1	Confident	82.1	Confident	77 Å²	77	63.7 Å²	63.7	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-67.9	-33.6	177.7	-68.4	0	0	0	0	112.3	F123 D138 C139 M140 G144	F123-T142 HydrophobicContact CE2-CG2 3.8Å; F123-T142 HydrophobicContact CZ-CG2 4.03Å; F123-T142 WeakPolarHBondContact CZ-OG1 3.38Å; D138-T142 PolarHBondContact O-N 3.3Å; D138-T142 PolarHBondContact O-OG1 2.85Å; C139-T142 PolarHBondContact O-N 3.35Å; M140-T142 PolarHBondContact O-N 3.19Å; T142-G144 PolarHBondContact O-N 3.1Å
143	M	71.4	Confident	82.2	Confident	44 Å²	44	64.8 Å²	64.8	22%	0.217	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	0.2	169.9	-66.1	-174.9	-65.1	0	0	113.7	L116 A119 C139 M140 R141 F172 M176	L116-M143 HydrophobicContact CD2-SD 3.92Å; A119-M143 HydrophobicContact CB-CG 3.46Å; A119-M143 VanDerWaalsContact CB-CG 3.46Å; A119-M143 HydrophobicContact CB-SD 3.55Å; A119-M143 VanDerWaalsContact CB-SD 3.55Å; C139-M143 WeakPolarHBondContact O-CG 3.47Å; C139-M143 PolarHBondContact O-N 2.99Å; M140-M143 HydrophobicContact CG-CE 4.49Å; M140-M143 PolarHBondContact O-N 2.99Å; R141-M143 VanDerWaalsContact C-N 3.33Å; M143-F172 HydrophobicContact CE-CE1 4.43Å; M143-F172 HydrophobicContact CE-CE2 4.09Å; M143-F172 HydrophobicContact CE-CZ 3.52Å; M143-F172 HydrophobicContact SD-CE1 4.01Å; M143-F172 HydrophobicContact SD-CZ 3.57Å; M143-F172 VanDerWaalsContact SD-CZ 3.57Å; M143-M176 HydrophobicContact CE-CE 3.79Å; M143-M176 HydrophobicContact CE-CG 3.83Å; M143-M176 HydrophobicContact CE-SD 3.68Å
144	G	71	Confident	82.4	Confident	63 Å²	63	67.3 Å²	67.3	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	7	178.8	0	0	0	0	0	114.8	M140 R141 T142	M140-G144 PolarHBondContact O-N 3.16Å; R141-G144 WeakPolarHBondContact O-CA 3.4Å; R141-G144 PolarHBondContact O-N 2.83Å; T142-G144 PolarHBondContact O-N 3.1Å
145	Y	74.9	Confident	82.5	Confident	20 Å²	20	61 Å²	61	8%	0.078	32%	0.322	C	S	.	.			trans	-90.9	124.2	174.3	-177.2	-98.7	0	0	0	109.8	M140 R141 P147 R179 E183	M140-Y145 CarbonylContact C-O 3.18Å; M140-Y145 HydrophobicContact CB-CD1 4.08Å; M140-Y145 HydrophobicContact CE-CD1 3.27Å; M140-Y145 HydrophobicContact CE-CE1 3.27Å; M140-Y145 HydrophobicContact CE-CG 4.3Å; M140-Y145 HydrophobicContact CG-CD1 4.28Å; M140-Y145 WeakPolarHBondContact O-CA 3.4Å; M140-Y145 WeakPolarHBondContact O-CB 3.46Å; M140-Y145 PolarHBondContact O-N 3.16Å; M140-Y145 HydrophobicContact SD-CD1 4.06Å; M140-Y145 HydrophobicContact SD-CE1 4.23Å; R141-Y145 VanDerWaalsContact CA-O 3.31Å; R141-Y145 WeakPolarHBondContact CA-O 3.3Å; R141-Y145 PolarHBondContact N-O 3.24Å; Y145-P147 HydrophobicContact CD1-CB 4.19Å; Y145-P147 HydrophobicContact CD1-CG 4.07Å; Y145-P147 HydrophobicContact CE1-CB 3.63Å; Y145-P147 HydrophobicContact CE1-CG 4.02Å; Y145-P147 WeakPolarHBondContact O-CD 3.46Å; Y145-R179 HydrophobicContact CE2-CB 4.31Å; Y145-E183 WeakPolarHBondContact CA-OE2 3.38Å; Y145-E183 HydrophobicContact CD2-CB 3.95Å; Y145-E183 HydrophobicContact CD2-CG 4.24Å; Y145-E183 WeakPolarHBondContact CD2-OE2 3.41Å; Y145-E183 HydrophobicContact CE2-CB 3.97Å; Y145-E183 VanDerWaalsContact CE2-CD 3.41Å; Y145-E183 HydrophobicContact CE2-CG 4.17Å; Y145-E183 WeakPolarHBondContact CE2-OE2 3.4Å
146	M	76.9	Confident	82.5	Confident	148 Å²	148	60 Å²	60	73%	0.729	32%	0.316	S	S	*	.			trans	-110.5	84.1	-179.7	-172	173.4	-84.2	0	0	110.3
147	P	79	Confident	82.6	Confident	19 Å²	19	65.3 Å²	65.3	12%	0.123	34%	0.341	C	S	.	.			trans	-62.7	143.1	-178.3	17.1	-22.1	0	0	0	111.3	M140 Y145 E151 L152	M140-P147 HydrophobicContact CB-CG 4.37Å; M140-P147 HydrophobicContact SD-CG 4.05Å; Y145-P147 HydrophobicContact CD1-CB 4.19Å; Y145-P147 HydrophobicContact CD1-CG 4.07Å; Y145-P147 HydrophobicContact CE1-CB 3.63Å; Y145-P147 HydrophobicContact CE1-CG 4.02Å; Y145-P147 WeakPolarHBondContact O-CD 3.46Å; P147-E151 HydrophobicContact CB-CB 4.35Å; P147-L152 HydrophobicContact CB-CB 4.19Å; P147-L152 HydrophobicContact CG-CB 4.45Å; P147-L152 HydrophobicContact CG-CD1 4.39Å
148	T	86.4	Confident	82.8	Confident	78 Å²	78	68.7 Å²	68.7	48%	0.479	36%	0.355	S	S	.	.			trans	-66.5	159.2	160.9	64.4	0	0	0	0	110.6	M150 E151 L152	T148-M150 PolarHBondContact O-N 3.15Å; T148-E151 WeakPolarHBondContact CB-OE2 3.43Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.45Å; T148-E151 PolarHBondContact N-OE2 3.36Å; T148-E151 PolarHBondContact O-N 2.76Å; T148-E151 VanDerWaalsContact OG1-CD 3.3Å; T148-E151 VanDerWaalsContact OG1-CG 3.29Å; T148-E151 WeakPolarHBondContact OG1-CG 3.26Å; T148-E151 PolarHBondContact OG1-N 3.03Å; T148-E151 PolarHBondContact OG1-OE2 3.04Å; T148-L152 WeakPolarHBondContact O-CB 3.49Å; T148-L152 PolarHBondContact O-N 3.32Å
149	E	86.1	Confident	82.9	Confident	158 Å²	158	65 Å²	65	74%	0.738	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-34.4	179.3	-169.9	163.2	-165.1	0	0	112.2	I153	E149-I153 HydrophobicContact CG-CD1 4.22Å; E149-I153 WeakPolarHBondContact O-CD1 3.15Å; E149-I153 WeakPolarHBondContact O-CG1 3.45Å; E149-I153 PolarHBondContact O-N 2.81Å; E149-I153 VanDerWaalsContact O-N 3.08Å
150	M	85.9	Confident	83.1	Confident	130 Å²	130	70 Å²	70	64%	0.64	36%	0.356	S	S	*	.	H	α-helix	trans	-65	-49.9	175.4	-165	70.8	66.2	0	0	111.6	T148 L152 I153 E154	T148-M150 PolarHBondContact O-N 3.15Å; M150-L152 VanDerWaalsContact C-N 3.32Å; M150-L152 PolarHBondContact O-N 3.47Å; M150-I153 PolarHBondContact O-N 2.72Å; M150-E154 WeakPolarHBondContact O-CG 3.36Å; M150-E154 PolarHBondContact O-N 3.08Å
151	E	84.5	Confident	83.4	Confident	63 Å²	63	77.9 Å²	77.9	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-40.8	179.2	-71.9	165.3	137.1	0	0	111.4	P147 T148 I153 E154 I155	P147-E151 HydrophobicContact CB-CB 4.35Å; T148-E151 WeakPolarHBondContact CB-OE2 3.43Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.45Å; T148-E151 PolarHBondContact N-OE2 3.36Å; T148-E151 PolarHBondContact O-N 2.76Å; T148-E151 VanDerWaalsContact OG1-CD 3.3Å; T148-E151 VanDerWaalsContact OG1-CG 3.29Å; T148-E151 WeakPolarHBondContact OG1-CG 3.26Å; T148-E151 PolarHBondContact OG1-N 3.03Å; T148-E151 PolarHBondContact OG1-OE2 3.04Å; E151-I153 VanDerWaalsContact C-N 3.32Å; E151-I153 PolarHBondContact O-N 2.78Å; E151-E154 WeakPolarHBondContact O-CB 3.39Å; E151-E154 PolarHBondContact O-N 3.29Å; E151-I155 VanDerWaalsContact O-CD1 3.31Å; E151-I155 WeakPolarHBondContact O-CD1 3.43Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.3Å; E151-I155 PolarHBondContact O-N 2.89Å
152	L	87	Confident	83.4	Confident	31 Å²	31	77 Å²	77	16%	0.162	40%	0.395	C	S	.	.	H	α-helix	trans	-62.7	-40.5	177.8	-176.3	60	0	0	0	111.7	I136 A137 M140 P147 T148 M150 E154 I155 I156	I136-L152 HydrophobicContact CG2-CD1 4.24Å; A137-L152 HydrophobicContact CB-CD1 3.84Å; A137-L152 HydrophobicContact CB-CD2 3.77Å; A137-L152 HydrophobicContact CB-CG 4.44Å; M140-L152 HydrophobicContact SD-CD1 4.49Å; P147-L152 HydrophobicContact CB-CB 4.19Å; P147-L152 HydrophobicContact CG-CB 4.45Å; P147-L152 HydrophobicContact CG-CD1 4.39Å; T148-L152 WeakPolarHBondContact O-CB 3.49Å; T148-L152 PolarHBondContact O-N 3.32Å; M150-L152 VanDerWaalsContact C-N 3.32Å; M150-L152 PolarHBondContact O-N 3.47Å; L152-E154 VanDerWaalsContact C-N 3.34Å; L152-I155 PolarHBondContact O-N 2.78Å; L152-I156 HydrophobicContact CD1-CD1 4.04Å; L152-I156 HydrophobicContact CD1-CG1 4.29Å; L152-I156 HydrophobicContact CG-CD1 3.87Å; L152-I156 WeakPolarHBondContact O-CB 3.26Å; L152-I156 VanDerWaalsContact O-CG1 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 3.2Å
153	I	87.8	Confident	83.7	Confident	78 Å²	78	75.1 Å²	75.1	40%	0.4	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-43.2	175.8	-70.7	164.6	0	0	0	110.6	E149 M150 E151 I156 Q157	E149-I153 HydrophobicContact CG-CD1 4.22Å; E149-I153 WeakPolarHBondContact O-CD1 3.15Å; E149-I153 WeakPolarHBondContact O-CG1 3.45Å; E149-I153 PolarHBondContact O-N 2.81Å; E149-I153 VanDerWaalsContact O-N 3.08Å; M150-I153 PolarHBondContact O-N 2.72Å; E151-I153 VanDerWaalsContact C-N 3.32Å; E151-I153 PolarHBondContact O-N 2.78Å; I153-I156 PolarHBondContact O-N 3.12Å; I153-Q157 HydrophobicContact CG2-CG 4.44Å; I153-Q157 VanDerWaalsContact CG2-NE2 3.35Å; I153-Q157 WeakPolarHBondContact O-CB 3.47Å; I153-Q157 VanDerWaalsContact O-CG 3.29Å; I153-Q157 WeakPolarHBondContact O-CG 3.07Å; I153-Q157 PolarHBondContact O-N 3.02Å
154	E	88.3	Confident	84.2	Confident	108 Å²	108	76 Å²	76	51%	0.505	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-44.3	176.7	-70.3	176	172.5	0	0	111.5	M150 E151 L152 Q157 Q158	M150-E154 WeakPolarHBondContact O-CG 3.36Å; M150-E154 PolarHBondContact O-N 3.08Å; E151-E154 WeakPolarHBondContact O-CB 3.39Å; E151-E154 PolarHBondContact O-N 3.29Å; L152-E154 VanDerWaalsContact C-N 3.34Å; E154-Q157 PolarHBondContact O-N 3.19Å; E154-Q158 VanDerWaalsContact O-CB 3.32Å; E154-Q158 WeakPolarHBondContact O-CB 3.04Å; E154-Q158 PolarHBondContact O-N 3.06Å
155	I	86.8	Confident	84.7	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-51.2	176.6	-70.5	156.6	0	0	0	111.3	I136 M140 E151 L152 Q157 Q158 I159 L175 R179	I136-I155 HydrophobicContact CG1-CG2 4.39Å; I136-I155 HydrophobicContact CG2-CG2 4.37Å; M140-I155 HydrophobicContact CE-CD1 3.37Å; M140-I155 HydrophobicContact CE-CG1 4.46Å; M140-I155 HydrophobicContact SD-CD1 3.6Å; E151-I155 VanDerWaalsContact O-CD1 3.31Å; E151-I155 WeakPolarHBondContact O-CD1 3.43Å; E151-I155 VanDerWaalsContact O-CG1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.3Å; E151-I155 PolarHBondContact O-N 2.89Å; L152-I155 PolarHBondContact O-N 2.78Å; I155-Q157 VanDerWaalsContact C-N 3.28Å; I155-Q157 PolarHBondContact O-N 3.22Å; I155-Q158 WeakPolarHBondContact O-CB 2.77Å; I155-Q158 PolarHBondContact O-N 3.4Å; I155-Q158 VanDerWaalsContact O-N 3.15Å; I155-I159 HydrophobicContact CG2-CD1 3.76Å; I155-I159 HydrophobicContact CG2-CG1 4.46Å; I155-I159 WeakPolarHBondContact O-CG1 3.25Å; I155-I159 PolarHBondContact O-N 2.8Å; I155-L175 HydrophobicContact CG2-CD1 4.17Å; I155-L175 HydrophobicContact CG2-CD2 3.92Å; I155-L175 HydrophobicContact CG2-CG 4.45Å; I155-R179 VanDerWaalsContact CD1-CZ 3.45Å
156	I	87.9	Confident	85.2	Confident	41 Å²	41	76.7 Å²	76.7	21%	0.21	39%	0.386	C	S	.	.	H	α-helix	trans	-62.3	-40.9	-178.9	-70.8	169.4	0	0	0	110.1	Y133 I136 L152 I153 I159 K160	Y133-I156 HydrophobicContact CD2-CG2 3.64Å; Y133-I156 HydrophobicContact CE2-CG2 4.27Å; Y133-I156 HydrophobicContact CG-CG2 4.38Å; I136-I156 HydrophobicContact CG2-CG1 4Å; L152-I156 HydrophobicContact CD1-CD1 4.04Å; L152-I156 HydrophobicContact CD1-CG1 4.29Å; L152-I156 HydrophobicContact CG-CD1 3.87Å; L152-I156 WeakPolarHBondContact O-CB 3.26Å; L152-I156 VanDerWaalsContact O-CG1 3.29Å; L152-I156 WeakPolarHBondContact O-CG1 3.44Å; L152-I156 PolarHBondContact O-N 3.2Å; I153-I156 PolarHBondContact O-N 3.12Å; I156-I159 PolarHBondContact O-N 3.49Å; I156-K160 HydrophobicContact CG2-CD 3.89Å; I156-K160 HydrophobicContact CG2-CG 4.46Å; I156-K160 WeakPolarHBondContact O-CB 3.47Å; I156-K160 VanDerWaalsContact O-CG 3.23Å; I156-K160 WeakPolarHBondContact O-CG 3.31Å; I156-K160 PolarHBondContact O-N 3.16Å
157	Q	88.1	Confident	85.7	Confident	112 Å²	112	69.6 Å²	69.6	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-42.7	175.4	-75.5	-176.9	26	0	0	111.7	I153 E154 I155 I159 K160 M161	I153-Q157 HydrophobicContact CG2-CG 4.44Å; I153-Q157 VanDerWaalsContact CG2-NE2 3.35Å; I153-Q157 WeakPolarHBondContact O-CB 3.47Å; I153-Q157 VanDerWaalsContact O-CG 3.29Å; I153-Q157 WeakPolarHBondContact O-CG 3.07Å; I153-Q157 PolarHBondContact O-N 3.02Å; E154-Q157 PolarHBondContact O-N 3.19Å; I155-Q157 VanDerWaalsContact C-N 3.28Å; I155-Q157 PolarHBondContact O-N 3.22Å; Q157-I159 PolarHBondContact O-N 3.42Å; Q157-K160 PolarHBondContact O-N 3.36Å; Q157-M161 WeakPolarHBondContact O-CB 3.38Å; Q157-M161 WeakPolarHBondContact O-CG 3.28Å; Q157-M161 PolarHBondContact O-N 2.87Å
158	Q	87	Confident	86.2	Confident	83 Å²	83	71.2 Å²	71.2	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-59.1	-46.8	176.4	-174.5	175.7	-4.1	0	0	111.1	E154 I155 K160 M161 K162	E154-Q158 VanDerWaalsContact O-CB 3.32Å; E154-Q158 WeakPolarHBondContact O-CB 3.04Å; E154-Q158 PolarHBondContact O-N 3.06Å; I155-Q158 WeakPolarHBondContact O-CB 2.77Å; I155-Q158 PolarHBondContact O-N 3.4Å; I155-Q158 VanDerWaalsContact O-N 3.15Å; Q158-K160 PolarHBondContact O-N 2.95Å; Q158-M161 PolarHBondContact O-N 2.84Å; Q158-K162 WeakPolarHBondContact O-CB 3.49Å; Q158-K162 PolarHBondContact O-N 3.38Å
159	I	87.3	Confident	86.1	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-46.7	176.1	-67.5	163.5	0	0	0	111.1	I136 I155 I156 Q157 M161 W163 G164 G165 V167 L175	I136-I159 HydrophobicContact CB-CD1 4.19Å; I136-I159 HydrophobicContact CD1-CD1 4.18Å; I136-I159 HydrophobicContact CG1-CD1 3.8Å; I136-I159 HydrophobicContact CG2-CD1 4.15Å; I155-I159 HydrophobicContact CG2-CD1 3.76Å; I155-I159 HydrophobicContact CG2-CG1 4.46Å; I155-I159 WeakPolarHBondContact O-CG1 3.25Å; I155-I159 PolarHBondContact O-N 2.8Å; I156-I159 PolarHBondContact O-N 3.49Å; Q157-I159 PolarHBondContact O-N 3.42Å; I159-M161 VanDerWaalsContact C-N 3.35Å; I159-M161 PolarHBondContact O-N 3.49Å; I159-W163 HydrophobicContact CB-CE3 4.14Å; I159-W163 HydrophobicContact CG1-CE3 3.84Å; I159-W163 HydrophobicContact CG1-CZ3 3.84Å; I159-W163 HydrophobicContact CG2-CE3 4.28Å; I159-W163 CarbonylContact O-C 3.47Å; I159-W163 WeakPolarHBondContact O-CA 3.44Å; I159-W163 PolarHBondContact O-N 3.06Å; I159-G164 PolarHBondContact O-N 3.31Å; I159-G165 PolarHBondContact O-N 3.46Å; I159-V167 HydrophobicContact CB-CG2 4.23Å; I159-V167 HydrophobicContact CD1-CG2 3.98Å; I159-V167 HydrophobicContact CG1-CG2 3.82Å; I159-V167 HydrophobicContact CG2-CG2 3.4Å; I159-L175 HydrophobicContact CD1-CD2 3.77Å; I159-L175 HydrophobicContact CG1-CD2 4Å
160	K	86.8	Confident	86.1	Confident	104 Å²	104	68.4 Å²	68.4	45%	0.452	34%	0.344	S	S	.	.	H	α-helix	trans	-66.7	-36.6	-177.9	-71.6	177.1	75.7	172.4	0	112.6	Y133 I156 Q157 Q158 G164	Y133-K160 HydrophobicContact CD1-CG 4.23Å; Y133-K160 HydrophobicContact CD2-CD 4.34Å; Y133-K160 HydrophobicContact CE1-CD 4.47Å; Y133-K160 HydrophobicContact CE2-CD 4.34Å; Y133-K160 HydrophobicContact CG-CD 4.44Å; Y133-K160 HydrophobicContact CG-CG 4.26Å; I156-K160 HydrophobicContact CG2-CD 3.89Å; I156-K160 HydrophobicContact CG2-CG 4.46Å; I156-K160 WeakPolarHBondContact O-CB 3.47Å; I156-K160 VanDerWaalsContact O-CG 3.23Å; I156-K160 WeakPolarHBondContact O-CG 3.31Å; I156-K160 PolarHBondContact O-N 3.16Å; Q157-K160 PolarHBondContact O-N 3.36Å; Q158-K160 PolarHBondContact O-N 2.95Å; K160-G164 WeakPolarHBondContact O-CA 3.5Å; K160-G164 PolarHBondContact O-N 3.34Å
161	M	86.2	Confident	86.2	Confident	166 Å²	166	63.7 Å²	63.7	82%	0.818	32%	0.321	S	S	*	.	H	α-helix	trans	-82.4	-36.4	-178	-65.8	-63	177.9	0	0	112.8	Q157 Q158 I159	Q157-M161 WeakPolarHBondContact O-CB 3.38Å; Q157-M161 WeakPolarHBondContact O-CG 3.28Å; Q157-M161 PolarHBondContact O-N 2.87Å; Q158-M161 PolarHBondContact O-N 2.84Å; I159-M161 VanDerWaalsContact C-N 3.35Å; I159-M161 PolarHBondContact O-N 3.49Å
162	K	84.9	Confident	86.2	Confident	94 Å²	94	60.7 Å²	60.7	41%	0.409	31%	0.307	S	S	.	.	H	α-helix	trans	-88	-41	-176.1	-166.7	-179.6	167.4	-162.3	0	112.5	Q158 E174	Q158-K162 WeakPolarHBondContact O-CB 3.49Å; Q158-K162 PolarHBondContact O-N 3.38Å; K162-E174 IonicContact NZ-OE1 2.66Å; K162-E174 PolarHBondContact NZ-OE1 2.8Å; K162-E174 IonicContact NZ-OE2 2.66Å; K162-E174 PolarHBondContact NZ-OE2 2.89Å
163	W	83.1	Confident	85.9	Confident	38 Å²	38	60.2 Å²	60.2	14%	0.144	31%	0.306	C	S	.	.	S	Bend	trans	-122.9	8.2	-169.2	-52.3	-56.1	0	0	0	113.7	I159 G165 H166 V167 D171 L175	I159-W163 HydrophobicContact CB-CE3 4.14Å; I159-W163 HydrophobicContact CG1-CE3 3.84Å; I159-W163 HydrophobicContact CG1-CZ3 3.84Å; I159-W163 HydrophobicContact CG2-CE3 4.28Å; I159-W163 CarbonylContact O-C 3.47Å; I159-W163 WeakPolarHBondContact O-CA 3.44Å; I159-W163 PolarHBondContact O-N 3.06Å; W163-G165 PolarHBondContact O-N 3.08Å; W163-G165 VanDerWaalsContact O-N 3.15Å; W163-H166 WeakPolarHBondContact CB-O 3.07Å; W163-V167 HydrophobicContact CE3-CG1 4.31Å; W163-V167 HydrophobicContact CE3-CG2 3.96Å; W163-V167 HydrophobicContact CZ3-CG1 4.22Å; W163-V167 HydrophobicContact CZ3-CG2 4.35Å; W163-D171 HydrophobicContact CD2-CB 3.94Å; W163-D171 VanDerWaalsContact CE2-OD1 3.27Å; W163-D171 HydrophobicContact CE3-CB 4.26Å; W163-D171 HydrophobicContact CG-CB 4.48Å; W163-D171 HydrophobicContact CH2-CB 3.98Å; W163-D171 WeakPolarHBondContact CH2-O 3.26Å; W163-D171 HydrophobicContact CZ2-CB 3.57Å; W163-D171 HydrophobicContact CZ3-CB 4.29Å; W163-D171 PolarHBondContact NE1-OD1 2.71Å; W163-D171 PolarHBondContact NE1-OD2 2.71Å; W163-L175 HydrophobicContact CH2-CB 3.88Å; W163-L175 HydrophobicContact CH2-CD1 4.29Å; W163-L175 HydrophobicContact CZ3-CB 4.09Å; W163-L175 HydrophobicContact CZ3-CD1 4.12Å; W163-L175 HydrophobicContact CZ3-CD2 4.3Å; W163-L175 HydrophobicContact CZ3-CG 4.4Å
164	G	81.7	Confident	85.7	Confident	61 Å²	61	62 Å²	62	63%	0.629	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	10.9	175.2	0	0	0	0	0	114.8	I159 K160	I159-G164 PolarHBondContact O-N 3.31Å; K160-G164 WeakPolarHBondContact O-CA 3.5Å; K160-G164 PolarHBondContact O-N 3.34Å
165	G	82.3	Confident	85.4	Confident	3 Å²	3	57 Å²	57	3%	0.031	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	-5.9	176.7	0	0	0	0	0	115.8	Y133 I159 W163	Y133-G165 WeakPolarHBondContact CD1-O 3.32Å; Y133-G165 PolarHBondContact N-O 2.82Å; Y133-G165 VanDerWaalsContact N-O 3.12Å; I159-G165 PolarHBondContact O-N 3.46Å; W163-G165 PolarHBondContact O-N 3.08Å; W163-G165 VanDerWaalsContact O-N 3.15Å
166	H	85.7	Confident	85	Confident	95 Å²	95	57.1 Å²	57.1	44%	0.44	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.6	174.8	-61.2	-86.8	0	0	0	108.7	F130 H132 W163	F130-H166 HydrophobicContact CB-CB 4.35Å; F130-H166 HydrophobicContact CD1-CB 4.16Å; F130-H166 HydrophobicContact CG-CB 4.47Å; H132-H166 AromaticContact CD2-CE1 3.83Å; W163-H166 WeakPolarHBondContact CB-O 3.07Å
167	V	87.9	Confident	84.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.8	-176.3	-174.2	0	0	0	0	107.9	F130 I131 I159 W163 D171 F172	F130-V167 CarbonylContact C-O 3.56Å; F130-V167 WeakPolarHBondContact CA-O 3.27Å; I131-V167 PolarHBondContact N-O 2.99Å; I131-V167 PolarHBondContact O-N 2.89Å; I159-V167 HydrophobicContact CB-CG2 4.23Å; I159-V167 HydrophobicContact CD1-CG2 3.98Å; I159-V167 HydrophobicContact CG1-CG2 3.82Å; I159-V167 HydrophobicContact CG2-CG2 3.4Å; W163-V167 HydrophobicContact CE3-CG1 4.31Å; W163-V167 HydrophobicContact CE3-CG2 3.96Å; W163-V167 HydrophobicContact CZ3-CG1 4.22Å; W163-V167 HydrophobicContact CZ3-CG2 4.35Å; V167-D171 HydrophobicContact CG1-CB 3.73Å; V167-F172 HydrophobicContact CG1-CB 3.92Å
168	D	88.2	Confident	83.6	Confident	53 Å²	53	53.5 Å²	53.5	28%	0.283	28%	0.28	S	S	.	.			trans	-80.5	179.3	171.4	67.9	27.5	0	0	0	111.4	F130 D170 D171 F172	F130-D168 HydrophobicContact CD1-CB 3.93Å; F130-D168 HydrophobicContact CE1-CB 3.81Å; D168-D170 PolarHBondContact O-N 2.89Å; D168-D170 PolarHBondContact OD1-N 3.32Å; D168-D170 VanDerWaalsContact OD1-N 3.13Å; D168-D171 PolarHBondContact O-N 2.58Å; D168-D171 VanDerWaalsContact OD1-CB 3.29Å; D168-D171 WeakPolarHBondContact OD1-CB 3.16Å; D168-D171 PolarHBondContact OD1-N 3.03Å; D168-F172 WeakPolarHBondContact O-CB 3.35Å; D168-F172 PolarHBondContact O-N 3.28Å
169	F	85.4	Confident	82.7	Confident	52 Å²	52	51.8 Å²	51.8	23%	0.228	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-38.8	-177.2	-178.8	-109.9	0	0	0	113.4	I113 L116 Q117 F120 F172 C173	I113-F169 HydrophobicContact CG2-CE1 4.42Å; I113-F169 HydrophobicContact CG2-CZ 4.09Å; L116-F169 HydrophobicContact CB-CE2 4.5Å; Q117-F169 HydrophobicContact CB-CE2 3.85Å; Q117-F169 HydrophobicContact CB-CZ 3.87Å; Q117-F169 HydrophobicContact CG-CE2 4.11Å; Q117-F169 HydrophobicContact CG-CZ 4.16Å; F120-F169 HydrophobicContact CB-CD2 3.85Å; F120-F169 HydrophobicContact CB-CE2 4.22Å; F120-F169 HydrophobicContact CD1-CD2 4.29Å; F120-F169 HydrophobicContact CD2-CB 4.36Å; F120-F169 AromaticContact CD2-CD2 3.96Å; F120-F169 HydrophobicContact CD2-CD2 3.96Å; F120-F169 HydrophobicContact CE1-CB 4.41Å; F120-F169 HydrophobicContact CE2-CB 4.23Å; F120-F169 AromaticContact CG-CD2 3.76Å; F120-F169 HydrophobicContact CG-CD2 3.76Å; F120-F169 HydrophobicContact CZ-CB 4.26Å; F169-F172 WeakPolarHBondContact O-CB 3.28Å; F169-F172 PolarHBondContact O-N 3.49Å; F169-C173 PolarHBondContact O-N 2.65Å; F169-C173 PolarHBondContact O-SG 3.13Å
170	D	85.7	Confident	81.6	Confident	124 Å²	124	53.6 Å²	53.6	66%	0.663	28%	0.279	S	S	*	.	H	α-helix	trans	-69.2	-42.2	-179.5	-73.2	-17.8	0	0	0	110.3	D168 F172 C173 E174	D168-D170 PolarHBondContact O-N 2.89Å; D168-D170 PolarHBondContact OD1-N 3.32Å; D168-D170 VanDerWaalsContact OD1-N 3.13Å; D170-F172 VanDerWaalsContact C-N 3.3Å; D170-F172 PolarHBondContact O-N 2.67Å; D170-C173 PolarHBondContact O-N 2.63Å; D170-E174 PolarHBondContact O-N 3.19Å
171	D	87.3	Confident	80.4	Confident	32 Å²	32	49.3 Å²	49.3	17%	0.171	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-37.9	173.4	-71	-29.4	0	0	0	111.6	W163 V167 D168 E174 L175	W163-D171 HydrophobicContact CD2-CB 3.94Å; W163-D171 VanDerWaalsContact CE2-OD1 3.27Å; W163-D171 HydrophobicContact CE3-CB 4.26Å; W163-D171 HydrophobicContact CG-CB 4.48Å; W163-D171 HydrophobicContact CH2-CB 3.98Å; W163-D171 WeakPolarHBondContact CH2-O 3.26Å; W163-D171 HydrophobicContact CZ2-CB 3.57Å; W163-D171 HydrophobicContact CZ3-CB 4.29Å; W163-D171 PolarHBondContact NE1-OD1 2.71Å; W163-D171 PolarHBondContact NE1-OD2 2.71Å; V167-D171 HydrophobicContact CG1-CB 3.73Å; D168-D171 PolarHBondContact O-N 2.58Å; D168-D171 VanDerWaalsContact OD1-CB 3.29Å; D168-D171 WeakPolarHBondContact OD1-CB 3.16Å; D168-D171 PolarHBondContact OD1-N 3.03Å; D171-E174 PolarHBondContact O-N 3.2Å; D171-L175 WeakPolarHBondContact O-CB 3.3Å; D171-L175 PolarHBondContact O-N 3.36Å
172	F	84.1	Confident	79.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-43.2	176.2	-176.3	-104.4	0	0	0	111.5	L116 F120 I131 I136 C139 M143 V167 D168 F169 D170 E174 L175 M176	L116-F172 HydrophobicContact CB-CE1 4.33Å; L116-F172 HydrophobicContact CD2-CD1 4.18Å; L116-F172 HydrophobicContact CD2-CE1 3.64Å; L116-F172 HydrophobicContact CD2-CZ 4.43Å; F120-F172 HydrophobicContact CB-CD1 4.37Å; F120-F172 HydrophobicContact CB-CE1 4.37Å; F120-F172 HydrophobicContact CD2-CB 3.87Å; F120-F172 AromaticContact CD2-CD1 3.91Å; F120-F172 HydrophobicContact CD2-CD1 3.91Å; F120-F172 HydrophobicContact CD2-CD2 4.34Å; F120-F172 AromaticContact CD2-CG 3.8Å; F120-F172 HydrophobicContact CD2-CG 3.8Å; F120-F172 HydrophobicContact CE2-CB 4.06Å; F120-F172 HydrophobicContact CE2-CG 4.39Å; I131-F172 HydrophobicContact CD1-CD2 4.07Å; I131-F172 HydrophobicContact CD1-CE2 4.03Å; I136-F172 HydrophobicContact CD1-CD2 4.23Å; I136-F172 HydrophobicContact CD1-CE2 4.16Å; C139-F172 WeakPolarHBondContact SG-CE2 3.37Å; C139-F172 WeakPolarHBondContact SG-CZ 3.31Å; M143-F172 HydrophobicContact CE-CE1 4.43Å; M143-F172 HydrophobicContact CE-CE2 4.09Å; M143-F172 HydrophobicContact CE-CZ 3.52Å; M143-F172 HydrophobicContact SD-CE1 4.01Å; M143-F172 HydrophobicContact SD-CZ 3.57Å; M143-F172 VanDerWaalsContact SD-CZ 3.57Å; V167-F172 HydrophobicContact CG1-CB 3.92Å; D168-F172 WeakPolarHBondContact O-CB 3.35Å; D168-F172 PolarHBondContact O-N 3.28Å; F169-F172 WeakPolarHBondContact O-CB 3.28Å; F169-F172 PolarHBondContact O-N 3.49Å; D170-F172 VanDerWaalsContact C-N 3.3Å; D170-F172 PolarHBondContact O-N 2.67Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 3.36Å; F172-L175 PolarHBondContact O-N 3.34Å; F172-M176 HydrophobicContact CD1-CG 4.35Å; F172-M176 HydrophobicContact CD2-CE 4.2Å; F172-M176 HydrophobicContact CD2-CG 3.87Å; F172-M176 HydrophobicContact CE1-CG 4.11Å; F172-M176 HydrophobicContact CE2-CE 3.6Å; F172-M176 HydrophobicContact CE2-CG 3.6Å; F172-M176 HydrophobicContact CE2-SD 4.46Å; F172-M176 HydrophobicContact CG-CG 4.25Å; F172-M176 HydrophobicContact CZ-CE 4.33Å; F172-M176 HydrophobicContact CZ-CG 3.75Å; F172-M176 VanDerWaalsContact O-CB 3.28Å; F172-M176 WeakPolarHBondContact O-CB 3.04Å; F172-M176 WeakPolarHBondContact O-CG 3.12Å; F172-M176 PolarHBondContact O-N 3.35Å
173	C	82.5	Confident	77.3	Confident	21 Å²	21	43.5 Å²	43.5	14%	0.142	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-39.7	172.8	-72.2	0	0	0	0	112.1	L108 F169 D170 L175 G177	L108-C173 HydrophobicContact CD1-CB 4.21Å; F169-C173 PolarHBondContact O-N 2.65Å; F169-C173 PolarHBondContact O-SG 3.13Å; D170-C173 PolarHBondContact O-N 2.63Å; C173-L175 VanDerWaalsContact C-N 3.33Å; C173-G177 VanDerWaalsContact O-CA 3.3Å; C173-G177 WeakPolarHBondContact O-CA 3.48Å; C173-G177 PolarHBondContact O-N 3.13Å
174	E	82.9	Confident	75.4	Confident	114 Å²	114	42.9 Å²	42.9	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-67.5	-35.1	176.5	-160.4	-169.7	150.1	0	0	112.1	K162 D170 D171 F172 P178	K162-E174 IonicContact NZ-OE1 2.66Å; K162-E174 PolarHBondContact NZ-OE1 2.8Å; K162-E174 IonicContact NZ-OE2 2.66Å; K162-E174 PolarHBondContact NZ-OE2 2.89Å; D170-E174 PolarHBondContact O-N 3.19Å; D171-E174 PolarHBondContact O-N 3.2Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 3.36Å; E174-P178 WeakPolarHBondContact O-CD 3.04Å
175	L	81.9	Confident	73.6	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-73.9	-48.1	178.4	-171.9	67.9	0	0	0	112.4	I136 I155 I159 W163 D171 F172 C173 R179	I136-L175 HydrophobicContact CD1-CD2 4.03Å; I136-L175 HydrophobicContact CG1-CD2 4.13Å; I155-L175 HydrophobicContact CG2-CD1 4.17Å; I155-L175 HydrophobicContact CG2-CD2 3.92Å; I155-L175 HydrophobicContact CG2-CG 4.45Å; I159-L175 HydrophobicContact CD1-CD2 3.77Å; I159-L175 HydrophobicContact CG1-CD2 4Å; W163-L175 HydrophobicContact CH2-CB 3.88Å; W163-L175 HydrophobicContact CH2-CD1 4.29Å; W163-L175 HydrophobicContact CZ3-CB 4.09Å; W163-L175 HydrophobicContact CZ3-CD1 4.12Å; W163-L175 HydrophobicContact CZ3-CD2 4.3Å; W163-L175 HydrophobicContact CZ3-CG 4.4Å; D171-L175 WeakPolarHBondContact O-CB 3.3Å; D171-L175 PolarHBondContact O-N 3.36Å; F172-L175 PolarHBondContact O-N 3.34Å; C173-L175 VanDerWaalsContact C-N 3.33Å; L175-R179 WeakPolarHBondContact O-CD 3.49Å
176	M	78.1	Confident	71.6	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-90.1	-29.5	-170	-63.8	-58.3	-178.6	0	0	112.5	L116 I136 M140 M143 F172 R179 M180	L116-M176 HydrophobicContact CD2-CB 3.66Å; L116-M176 HydrophobicContact CD2-CG 4.42Å; I136-M176 HydrophobicContact CD1-CE 3.59Å; I136-M176 HydrophobicContact CG1-CE 3.72Å; M140-M176 HydrophobicContact CE-CE 3.96Å; M140-M176 HydrophobicContact CE-SD 3.63Å; M140-M176 HydrophobicContact CG-CE 3.27Å; M140-M176 HydrophobicContact CG-SD 3.85Å; M140-M176 HydrophobicContact SD-CE 4Å; M140-M176 HydrophobicContact SD-SD 4.44Å; M143-M176 HydrophobicContact CE-CE 3.79Å; M143-M176 HydrophobicContact CE-CG 3.83Å; M143-M176 HydrophobicContact CE-SD 3.68Å; F172-M176 HydrophobicContact CD1-CG 4.35Å; F172-M176 HydrophobicContact CD2-CE 4.2Å; F172-M176 HydrophobicContact CD2-CG 3.87Å; F172-M176 HydrophobicContact CE1-CG 4.11Å; F172-M176 HydrophobicContact CE2-CE 3.6Å; F172-M176 HydrophobicContact CE2-CG 3.6Å; F172-M176 HydrophobicContact CE2-SD 4.46Å; F172-M176 HydrophobicContact CG-CG 4.25Å; F172-M176 HydrophobicContact CZ-CE 4.33Å; F172-M176 HydrophobicContact CZ-CG 3.75Å; F172-M176 VanDerWaalsContact O-CB 3.28Å; F172-M176 WeakPolarHBondContact O-CB 3.04Å; F172-M176 WeakPolarHBondContact O-CG 3.12Å; F172-M176 PolarHBondContact O-N 3.35Å; M176-R179 PolarHBondContact O-N 3.34Å; M176-R179 VanDerWaalsContact O-N 3.09Å; M176-M180 WeakPolarHBondContact O-CB 3.31Å; M176-M180 WeakPolarHBondContact O-CG 3.29Å; M176-M180 PolarHBondContact O-N 3.39Å
177	G	74.5	Confident	69.3	Low	2 Å²	2	56.1 Å²	56.1	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-53.9	-57	-178.1	0	0	0	0	0	113.1	C173 R179 M180 L181	C173-G177 VanDerWaalsContact O-CA 3.3Å; C173-G177 WeakPolarHBondContact O-CA 3.48Å; C173-G177 PolarHBondContact O-N 3.13Å; G177-R179 PolarHBondContact O-N 2.85Å; G177-M180 PolarHBondContact O-N 3.45Å; G177-L181 WeakPolarHBondContact O-CG 3.48Å; G177-L181 PolarHBondContact O-N 2.76Å; G177-L181 VanDerWaalsContact O-N 3.07Å
178	P	71.3	Confident	67.4	Low	75 Å²	75	57.5 Å²	57.5	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-28	178.5	-23.5	34.3	0	0	0	113.9	E174 L181 A182	E174-P178 WeakPolarHBondContact O-CD 3.04Å; P178-L181 PolarHBondContact O-N 2.8Å; P178-A182 VanDerWaalsContact O-CB 3.32Å; P178-A182 WeakPolarHBondContact O-CB 3.28Å; P178-A182 PolarHBondContact O-N 2.77Å; P178-A182 VanDerWaalsContact O-N 3.07Å
179	R	69.4	Low	65.8	Low	46 Å²	46	56.4 Å²	56.4	17%	0.174	31%	0.313	C	S	.	.	H	α-helix	trans	-82.2	-40.1	-177.3	-64.2	178.6	-179.6	-94.4	-2.5	111.9	Y145 I155 L175 M176 G177 L181 A182 E183	Y145-R179 HydrophobicContact CE2-CB 4.31Å; I155-R179 VanDerWaalsContact CD1-CZ 3.45Å; L175-R179 WeakPolarHBondContact O-CD 3.49Å; M176-R179 PolarHBondContact O-N 3.34Å; M176-R179 VanDerWaalsContact O-N 3.09Å; G177-R179 PolarHBondContact O-N 2.85Å; R179-L181 PolarHBondContact O-N 2.7Å; R179-A182 PolarHBondContact O-N 3.44Å; R179-A182 VanDerWaalsContact O-N 3.12Å; R179-E183 PolarHBondContact O-N 2.77Å
180	M	63.8	Low	64.4	Low	39 Å²	39	59.1 Å²	59.1	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-19.6	166.3	-75.6	-166.6	72.9	0	0	112.6	L116 M176 G177 T184	L116-M180 HydrophobicContact CD1-SD 4.34Å; L116-M180 HydrophobicContact CD2-SD 3.42Å; L116-M180 WeakPolarHBondContact CD2-SD 3.35Å; L116-M180 HydrophobicContact CG-SD 3.79Å; M176-M180 WeakPolarHBondContact O-CB 3.31Å; M176-M180 WeakPolarHBondContact O-CG 3.29Å; M176-M180 PolarHBondContact O-N 3.39Å; G177-M180 PolarHBondContact O-N 3.45Å; M180-T184 VanDerWaalsContact O-CB 3.3Å; M180-T184 WeakPolarHBondContact O-CB 3.03Å; M180-T184 WeakPolarHBondContact O-CG2 3.32Å; M180-T184 PolarHBondContact O-OG1 3.05Å
181	L	62.3	Low	63.1	Low	13 Å²	13	59.5 Å²	59.5	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-91.5	-20	172.5	-67.2	169.9	0	0	0	113.3	R106 G177 P178 R179 T184	R106-L181 HydrophobicContact CG-CD1 4.18Å; R106-L181 HydrophobicContact CG-CD2 4.23Å; G177-L181 WeakPolarHBondContact O-CG 3.48Å; G177-L181 PolarHBondContact O-N 2.76Å; G177-L181 VanDerWaalsContact O-N 3.07Å; P178-L181 PolarHBondContact O-N 2.8Å; R179-L181 PolarHBondContact O-N 2.7Å; L181-T184 WeakPolarHBondContact CA-OG1 3.37Å; L181-T184 PolarHBondContact O-OG1 3.35Å
182	A	57.5	Low	62.1	Low	51 Å²	51	59.6 Å²	59.6	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-90.2	-43.6	-174.1	0	0	0	0	0	113.7	P178 R179 T184	P178-A182 VanDerWaalsContact O-CB 3.32Å; P178-A182 WeakPolarHBondContact O-CB 3.28Å; P178-A182 PolarHBondContact O-N 2.77Å; P178-A182 VanDerWaalsContact O-N 3.07Å; R179-A182 PolarHBondContact O-N 3.44Å; R179-A182 VanDerWaalsContact O-N 3.12Å; A182-T184 VanDerWaalsContact C-N 3.29Å
183	E	47.3	Very low	61.4	Low	88 Å²	88	60.5 Å²	60.5	41%	0.411	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-79.7	-19	-175.8	-149	171.3	-134.4	0	0	112.9	Y145 R179	Y145-E183 WeakPolarHBondContact CA-OE2 3.38Å; Y145-E183 HydrophobicContact CD2-CB 3.95Å; Y145-E183 HydrophobicContact CD2-CG 4.24Å; Y145-E183 WeakPolarHBondContact CD2-OE2 3.41Å; Y145-E183 HydrophobicContact CE2-CB 3.97Å; Y145-E183 VanDerWaalsContact CE2-CD 3.41Å; Y145-E183 HydrophobicContact CE2-CG 4.17Å; Y145-E183 WeakPolarHBondContact CE2-OE2 3.4Å; R179-E183 PolarHBondContact O-N 2.77Å
184	T	42.5	Very low	60.9	Low	25 Å²	25	67.2 Å²	67.2	15%	0.153	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-79.1	-14.5	-175.8	38.6	0	0	0	0	113.9	M180 L181 A182 H186 M187 V188	M180-T184 VanDerWaalsContact O-CB 3.3Å; M180-T184 WeakPolarHBondContact O-CB 3.03Å; M180-T184 WeakPolarHBondContact O-CG2 3.32Å; M180-T184 PolarHBondContact O-OG1 3.05Å; L181-T184 WeakPolarHBondContact CA-OG1 3.37Å; L181-T184 PolarHBondContact O-OG1 3.35Å; A182-T184 VanDerWaalsContact C-N 3.29Å; T184-H186 PolarHBondContact O-N 3.2Å; T184-M187 PolarHBondContact O-N 2.85Å; T184-V188 VanDerWaalsContact CB-CG2 3.4Å; T184-V188 HydrophobicContact CG2-CB 3.6Å; T184-V188 HydrophobicContact CG2-CG1 3.97Å; T184-V188 HydrophobicContact CG2-CG2 3.06Å; T184-V188 WeakPolarHBondContact O-CA 3.26Å; T184-V188 VanDerWaalsContact O-CB 3.28Å; T184-V188 WeakPolarHBondContact O-CB 3.47Å; T184-V188 PolarHBondContact O-N 3.2Å
185	A	44.2	Very low	60.4	Low	86 Å²	86	64 Å²	64	71%	0.711	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-55.1	-18.6	176.6	0	0	0	0	0	114.4
186	H	41.5	Very low	59.9	Low	187 Å²	187	64 Å²	64	87%	0.866	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-112.8	-17.8	179.2	-119.3	-67.1	0	0	0	116.3	T184	T184-H186 PolarHBondContact O-N 3.2Å
187	M	37.6	Very low	59.8	Low	163 Å²	163	64.3 Å²	64.3	80%	0.803	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-11.4	-178.7	-90.7	-156.8	66.5	0	0	114.8	T184	T184-M187 PolarHBondContact O-N 2.85Å
188	V	48.2	Very low	60	Low	29 Å²	29	71 Å²	71	18%	0.176	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1	-175.5	159.4	0	0	0	0	114	T184 L190 K191 E192	T184-V188 VanDerWaalsContact CB-CG2 3.4Å; T184-V188 HydrophobicContact CG2-CB 3.6Å; T184-V188 HydrophobicContact CG2-CG1 3.97Å; T184-V188 HydrophobicContact CG2-CG2 3.06Å; T184-V188 WeakPolarHBondContact O-CA 3.26Å; T184-V188 VanDerWaalsContact O-CB 3.28Å; T184-V188 WeakPolarHBondContact O-CB 3.47Å; T184-V188 PolarHBondContact O-N 3.2Å; V188-L190 PolarHBondContact O-N 2.87Å; V188-K191 PolarHBondContact O-N 3.21Å; V188-E192 HydrophobicContact CG1-CG 3.53Å; V188-E192 VanDerWaalsContact CG1-OE1 3.28Å; V188-E192 WeakPolarHBondContact CG1-OE1 3.25Å; V188-E192 VanDerWaalsContact O-CB 3.3Å; V188-E192 WeakPolarHBondContact O-CB 3.42Å; V188-E192 VanDerWaalsContact O-CG 3.26Å; V188-E192 WeakPolarHBondContact O-CG 3.32Å; V188-E192 PolarHBondContact O-N 3.49Å
189	G	53.3	Low	60.3	Low	30 Å²	30	72.7 Å²	72.7	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-48	-45.3	160.8	0	0	0	0	0	112.1	L193	G189-L193 WeakPolarHBondContact O-CA 3.31Å; G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 WeakPolarHBondContact O-CD1 3.46Å; G189-L193 WeakPolarHBondContact O-CG 3.21Å; G189-L193 PolarHBondContact O-N 3.46Å
190	L	56	Low	60.6	Low	110 Å²	110	70.8 Å²	70.8	58%	0.576	37%	0.366	S	S	*	.	H	α-helix	trans	-70.4	-40.9	-178.4	-81.3	167	0	0	0	114.3	V188 R194 F247 V251	V188-L190 PolarHBondContact O-N 2.87Å; L190-R194 WeakPolarHBondContact O-CB 3.17Å; L190-R194 PolarHBondContact O-N 2.81Å; L190-F247 HydrophobicContact CD2-CE1 4.16Å; L190-F247 HydrophobicContact CD2-CZ 4.11Å; L190-V251 HydrophobicContact CD2-CG2 4.44Å
191	K	59.1	Low	61.5	Low	132 Å²	132	69.5 Å²	69.5	57%	0.574	36%	0.36	S	S	*	.	H	α-helix	trans	-66.6	-42.9	177	-87.3	-167.6	172.9	-166.3	0	110.5	E115 V188 R194 C195	E115-K191 IonicContact OE1-NZ 3.1Å; E115-K191 PolarHBondContact OE1-NZ 3Å; E115-K191 VanDerWaalsContact OE1-NZ 3.1Å; E115-K191 IonicContact OE2-NZ 3.88Å; V188-K191 PolarHBondContact O-N 3.21Å; K191-R194 PolarHBondContact O-N 2.97Å; K191-C195 WeakPolarHBondContact O-CB 3.46Å; K191-C195 PolarHBondContact O-N 2.97Å
192	E	65.2	Low	62.3	Low	33 Å²	33	73.1 Å²	73.1	15%	0.154	39%	0.385	C	S	.	.	H	α-helix	trans	-67.7	-45.2	177.3	-69.3	172.5	165.4	0	0	111.6	F102 R106 V188 R194 C195 A196	F102-E192 HydrophobicContact CB-CG 4.47Å; F102-E192 HydrophobicContact CD1-CB 4.19Å; F102-E192 HydrophobicContact CD1-CG 3.57Å; F102-E192 HydrophobicContact CE1-CB 4.42Å; F102-E192 HydrophobicContact CE1-CG 4.03Å; F102-E192 HydrophobicContact CG-CB 4.38Å; F102-E192 HydrophobicContact CG-CG 4.06Å; R106-E192 IonicContact NH2-OE1 3.3Å; V188-E192 HydrophobicContact CG1-CG 3.53Å; V188-E192 VanDerWaalsContact CG1-OE1 3.28Å; V188-E192 WeakPolarHBondContact CG1-OE1 3.25Å; V188-E192 VanDerWaalsContact O-CB 3.3Å; V188-E192 WeakPolarHBondContact O-CB 3.42Å; V188-E192 VanDerWaalsContact O-CG 3.26Å; V188-E192 WeakPolarHBondContact O-CG 3.32Å; V188-E192 PolarHBondContact O-N 3.49Å; E192-R194 PolarHBondContact O-N 3.13Å; E192-C195 PolarHBondContact O-N 3.44Å; E192-A196 WeakPolarHBondContact O-CB 3.42Å; E192-A196 PolarHBondContact O-N 2.95Å
193	L	69.4	Low	63.6	Low	20 Å²	20	75.9 Å²	75.9	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-58.4	-39.9	173.8	-93	72.1	0	0	0	110.6	G189 F197 F247 V251 L254	G189-L193 WeakPolarHBondContact O-CA 3.31Å; G189-L193 WeakPolarHBondContact O-CB 3.43Å; G189-L193 WeakPolarHBondContact O-CD1 3.46Å; G189-L193 WeakPolarHBondContact O-CG 3.21Å; G189-L193 PolarHBondContact O-N 3.46Å; L193-F197 WeakPolarHBondContact O-CB 3.21Å; L193-F197 PolarHBondContact O-N 3.3Å; L193-F247 HydrophobicContact CB-CE2 4.39Å; L193-V251 HydrophobicContact CD2-CB 3.93Å; L193-V251 HydrophobicContact CD2-CG1 4.04Å; L193-V251 HydrophobicContact CD2-CG2 3.53Å; L193-L254 HydrophobicContact CD1-CD1 4.14Å; L193-L254 HydrophobicContact CD2-CB 4.28Å; L193-L254 HydrophobicContact CD2-CD1 3.7Å; L193-L254 HydrophobicContact CG-CD1 3.61Å
194	R	72.8	Confident	65.3	Low	162 Å²	162	74.4 Å²	74.4	61%	0.611	40%	0.401	S	S	*	.	H	α-helix	trans	-72.1	-38.8	178.2	-166.2	174.8	-172.5	-146.8	2.2	112.9	L190 K191 E192 A196 K198 F247	L190-R194 WeakPolarHBondContact O-CB 3.17Å; L190-R194 PolarHBondContact O-N 2.81Å; K191-R194 PolarHBondContact O-N 2.97Å; E192-R194 PolarHBondContact O-N 3.13Å; R194-A196 VanDerWaalsContact C-N 3.29Å; R194-K198 WeakPolarHBondContact O-CG 3.08Å; R194-K198 PolarHBondContact O-N 3.09Å; R194-F247 HydrophobicContact CB-CE2 3.88Å; R194-F247 HydrophobicContact CB-CZ 4.11Å; R194-F247 HydrophobicContact CG-CE2 4.22Å
195	C	71.8	Confident	67.4	Low	46 Å²	46	77.3 Å²	77.3	31%	0.311	42%	0.416	S	S	.	.	H	α-helix	trans	-65.1	-39.2	174.9	-165.2	0	0	0	0	110.8	K191 E192 K198 Q199	K191-C195 WeakPolarHBondContact O-CB 3.46Å; K191-C195 PolarHBondContact O-N 2.97Å; E192-C195 PolarHBondContact O-N 3.44Å; C195-K198 WeakPolarHBondContact O-CB 3.47Å; C195-Q199 PolarHBondContact O-N 2.9Å
196	A	71.2	Confident	69.3	Low	4 Å²	4	75 Å²	75	3%	0.033	40%	0.4	C	S	.	.	H	α-helix	trans	-80.2	-32.3	-178.4	0	0	0	0	0	112.1	Y94 L98 E192 R194 K198 Q199 F200	Y94-A196 WeakPolarHBondContact OH-CB 3.42Å; L98-A196 HydrophobicContact CD2-CB 4.08Å; E192-A196 WeakPolarHBondContact O-CB 3.42Å; E192-A196 PolarHBondContact O-N 2.95Å; R194-A196 VanDerWaalsContact C-N 3.29Å; A196-K198 VanDerWaalsContact C-N 3.31Å; A196-K198 PolarHBondContact O-N 3.05Å; A196-Q199 WeakPolarHBondContact O-CB 3.2Å; A196-Q199 PolarHBondContact O-N 3.22Å; A196-F200 WeakPolarHBondContact O-CD2 3.36Å; A196-F200 PolarHBondContact O-N 2.86Å
197	F	77.3	Confident	71.6	Confident	9 Å²	9	69.6 Å²	69.6	4%	0.039	37%	0.374	C	S	.	.	H	α-helix	trans	-54.5	-48.3	167.5	-174.9	-87.3	0	0	0	111	L193 Q199 F200 D201 G206 I208 F247 F250	L193-F197 WeakPolarHBondContact O-CB 3.21Å; L193-F197 PolarHBondContact O-N 3.3Å; F197-Q199 PolarHBondContact O-N 3.38Å; F197-Q199 VanDerWaalsContact O-N 3.11Å; F197-F200 PolarHBondContact O-N 2.96Å; F197-F200 VanDerWaalsContact O-N 3.09Å; F197-D201 HydrophobicContact CD1-CB 4.24Å; F197-D201 HydrophobicContact CE1-CB 4.03Å; F197-D201 WeakPolarHBondContact O-CB 3.34Å; F197-D201 PolarHBondContact O-N 3.38Å; F197-G206 VanDerWaalsContact CZ-O 3.24Å; F197-G206 WeakPolarHBondContact CZ-O 3.48Å; F197-I208 HydrophobicContact CD2-CD1 3.51Å; F197-I208 HydrophobicContact CD2-CG1 4.16Å; F197-I208 HydrophobicContact CE2-CD1 3.51Å; F197-I208 HydrophobicContact CE2-CG1 3.74Å; F197-I208 HydrophobicContact CG-CD1 4.21Å; F197-I208 HydrophobicContact CZ-CD1 4.2Å; F197-I208 HydrophobicContact CZ-CG1 3.93Å; F197-F247 HydrophobicContact CB-CD2 4.07Å; F197-F247 HydrophobicContact CB-CE2 4.36Å; F197-F247 HydrophobicContact CD1-CD2 4.45Å; F197-F247 HydrophobicContact CD2-CB 4.42Å; F197-F247 AromaticContact CD2-CD2 3.94Å; F197-F247 HydrophobicContact CD2-CD2 3.94Å; F197-F247 HydrophobicContact CE2-CB 4.22Å; F197-F247 AromaticContact CG-CD2 3.89Å; F197-F247 HydrophobicContact CG-CD2 3.89Å; F197-F247 HydrophobicContact CZ-CB 4.42Å; F197-F250 HydrophobicContact CB-CD1 4.33Å; F197-F250 HydrophobicContact CB-CE1 4.25Å; F197-F250 HydrophobicContact CD2-CB 3.89Å; F197-F250 AromaticContact CD2-CD1 3.95Å; F197-F250 HydrophobicContact CD2-CD1 3.95Å; F197-F250 HydrophobicContact CD2-CD2 4.25Å; F197-F250 AromaticContact CD2-CG 3.79Å; F197-F250 HydrophobicContact CD2-CG 3.79Å; F197-F250 HydrophobicContact CE2-CB 4.14Å; F197-F250 HydrophobicContact CE2-CG 4.43Å
198	K	79.4	Confident	73.9	Confident	142 Å²	142	61.8 Å²	61.8	62%	0.617	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-17.6	174.1	-77.5	-178.3	172.2	-170.7	0	114.9	R194 C195 A196 D201	R194-K198 WeakPolarHBondContact O-CG 3.08Å; R194-K198 PolarHBondContact O-N 3.09Å; C195-K198 WeakPolarHBondContact O-CB 3.47Å; A196-K198 VanDerWaalsContact C-N 3.31Å; A196-K198 PolarHBondContact O-N 3.05Å; K198-D201 VanDerWaalsContact O-O 3.11Å
199	Q	76.3	Confident	75.7	Confident	112 Å²	112	62.5 Å²	62.5	52%	0.523	34%	0.34	S	S	.	.	H	α-helix	trans	-87.6	-21.5	178.6	-168	141.8	40.2	0	0	112.3	C195 A196 F197	C195-Q199 PolarHBondContact O-N 2.9Å; A196-Q199 WeakPolarHBondContact O-CB 3.2Å; A196-Q199 PolarHBondContact O-N 3.22Å; F197-Q199 PolarHBondContact O-N 3.38Å; F197-Q199 VanDerWaalsContact O-N 3.11Å
200	F	76.1	Confident	77.1	Confident	5 Å²	5	63.2 Å²	63.2	2%	0.022	34%	0.336	C	S	.	.	H	α-helix	trans	-87.1	-45.3	168.9	-76.5	-90.4	0	0	0	111.5	Y94 A196 F197 C202 I208 E212 L213 M217 L220 F250	Y94-F200 HydrophobicContact CD2-CE2 4.15Å; Y94-F200 HydrophobicContact CD2-CZ 4.15Å; Y94-F200 AromaticContact CE2-CE2 3.47Å; Y94-F200 HydrophobicContact CE2-CE2 3.47Å; Y94-F200 VanDerWaalsContact CE2-CE2 3.47Å; Y94-F200 AromaticContact CE2-CZ 3.92Å; Y94-F200 HydrophobicContact CE2-CZ 3.92Å; A196-F200 WeakPolarHBondContact O-CD2 3.36Å; A196-F200 PolarHBondContact O-N 2.86Å; F197-F200 PolarHBondContact O-N 2.96Å; F197-F200 VanDerWaalsContact O-N 3.09Å; F200-C202 PolarHBondContact O-N 3.06Å; F200-C202 PolarHBondContact O-SG 3.3Å; F200-I208 HydrophobicContact CB-CD1 3.59Å; F200-I208 HydrophobicContact CB-CG1 3.8Å; F200-I208 HydrophobicContact CB-CG2 3.92Å; F200-I208 HydrophobicContact CG-CD1 4.25Å; F200-E212 WeakPolarHBondContact O-CB 3.49Å; F200-L213 HydrophobicContact CD1-CD1 4.3Å; F200-L213 HydrophobicContact CE1-CD1 4.14Å; F200-M217 HydrophobicContact CE1-CE 3.98Å; F200-M217 HydrophobicContact CZ-CE 3.97Å; F200-L220 HydrophobicContact CE1-CD1 4.29Å; F200-L220 HydrophobicContact CE2-CD1 3.81Å; F200-L220 HydrophobicContact CZ-CD1 3.36Å; F200-L220 HydrophobicContact CZ-CG 4.3Å; F200-F250 HydrophobicContact CD2-CE2 4.46Å; F200-F250 HydrophobicContact CD2-CZ 4.45Å; F200-F250 HydrophobicContact CE2-CZ 4.48Å
201	D	83.2	Confident	78.5	Confident	13 Å²	13	65.3 Å²	65.3	7%	0.07	34%	0.343	C	S	.	.			trans	-67.6	90	175.4	177.9	7.5	0	0	0	109.6	F197 K198 D203 G204 D205 G206 I208	F197-D201 HydrophobicContact CD1-CB 4.24Å; F197-D201 HydrophobicContact CE1-CB 4.03Å; F197-D201 WeakPolarHBondContact O-CB 3.34Å; F197-D201 PolarHBondContact O-N 3.38Å; K198-D201 VanDerWaalsContact O-O 3.11Å; D201-D203 VanDerWaalsContact OD1-OD1 3.08Å; D201-G204 WeakPolarHBondContact OD1-CA 3.3Å; D201-G204 PolarHBondContact OD1-N 2.53Å; D201-G204 WeakPolarHBondContact OD2-CA 3.3Å; D201-D205 PolarHBondContact OD1-N 3.3Å; D201-D205 PolarHBondContact OD2-N 3.37Å; D201-G206 WeakPolarHBondContact OD2-CA 2.95Å; D201-G206 PolarHBondContact OD2-N 3.24Å; D201-I208 HydrophobicContact CB-CG1 4.34Å
202	C	79.4	Confident	79.8	Confident	89 Å²	89	59.7 Å²	59.7	60%	0.601	32%	0.319	S	S	*	.	S	Bend	trans	-81.4	-29.7	-171.9	-71.2	0	0	0	0	111.5	F200 E212	F200-C202 PolarHBondContact O-N 3.06Å; F200-C202 PolarHBondContact O-SG 3.3Å; C202-E212 HydrophobicContact CB-CG 4.33Å; C202-E212 PolarHBondContact N-OE1 3.47Å
203	D	83.6	Confident	80.5	Confident	108 Å²	108	58.3 Å²	58.3	58%	0.578	31%	0.313	S	S	*	.	S	Bend	trans	-91	-12.1	177.7	69.1	7.7	0	0	0	113.4	D201 D205 E212	D201-D203 VanDerWaalsContact OD1-OD1 3.08Å; D203-D205 WeakPolarHBondContact OD1-CB 3.31Å; D203-D205 PolarHBondContact OD1-N 2.97Å; D203-D205 VanDerWaalsContact OD1-N 3.09Å; D203-E212 PolarHBondContact N-OE1 3.47Å
204	G	84.1	Confident	81	Confident	57 Å²	57	63 Å²	63	59%	0.588	33%	0.332	S	S	*	.			trans	76.6	22.2	175.8	0	0	0	0	0	113.1	D201 G206	D201-G204 WeakPolarHBondContact OD1-CA 3.3Å; D201-G204 PolarHBondContact OD1-N 2.53Å; D201-G204 WeakPolarHBondContact OD2-CA 3.3Å; G204-G206 PolarHBondContact O-N 3.22Å
205	D	86.3	Confident	81.3	Confident	86 Å²	86	61 Å²	61	46%	0.46	33%	0.33	S	S	.	.	S	Bend	trans	-78.4	-6	-175.6	86.3	-12.3	0	0	0	113.6	D201 D203 K207	D201-D205 PolarHBondContact OD1-N 3.3Å; D201-D205 PolarHBondContact OD2-N 3.37Å; D203-D205 WeakPolarHBondContact OD1-CB 3.31Å; D203-D205 PolarHBondContact OD1-N 2.97Å; D203-D205 VanDerWaalsContact OD1-N 3.09Å; D205-K207 VanDerWaalsContact C-N 3.35Å; D205-K207 WeakPolarHBondContact OD1-CA 3.46Å; D205-K207 VanDerWaalsContact OD1-CB 3.31Å; D205-K207 WeakPolarHBondContact OD1-CB 3.48Å; D205-K207 PolarHBondContact OD1-N 3.48Å
206	G	84.3	Confident	81.6	Confident	37 Å²	37	59.3 Å²	59.3	38%	0.381	32%	0.321	S	S	.	.	S	Bend	trans	83.2	12.6	-179.8	0	0	0	0	0	113.6	F197 D201 G204	F197-G206 VanDerWaalsContact CZ-O 3.24Å; F197-G206 WeakPolarHBondContact CZ-O 3.48Å; D201-G206 WeakPolarHBondContact OD2-CA 2.95Å; D201-G206 PolarHBondContact OD2-N 3.24Å; G204-G206 PolarHBondContact O-N 3.22Å
207	K	88.6	Confident	81.6	Confident	74 Å²	74	59.5 Å²	59.5	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.4	175.6	-58.3	-173.5	170.5	-151.7	0	109.1	D205 D242	D205-K207 VanDerWaalsContact C-N 3.35Å; D205-K207 WeakPolarHBondContact OD1-CA 3.46Å; D205-K207 VanDerWaalsContact OD1-CB 3.31Å; D205-K207 WeakPolarHBondContact OD1-CB 3.48Å; D205-K207 PolarHBondContact OD1-N 3.48Å; K207-D242 IonicContact NZ-OD2 2.76Å; K207-D242 PolarHBondContact NZ-OD2 3.17Å
208	I	86	Confident	81.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.2	173.7	-59.9	165	0	0	0	107.7	F197 F200 D201 E212 L213 S244 I245 F250	F197-I208 HydrophobicContact CD2-CD1 3.51Å; F197-I208 HydrophobicContact CD2-CG1 4.16Å; F197-I208 HydrophobicContact CE2-CD1 3.51Å; F197-I208 HydrophobicContact CE2-CG1 3.74Å; F197-I208 HydrophobicContact CG-CD1 4.21Å; F197-I208 HydrophobicContact CZ-CD1 4.2Å; F197-I208 HydrophobicContact CZ-CG1 3.93Å; F200-I208 HydrophobicContact CB-CD1 3.59Å; F200-I208 HydrophobicContact CB-CG1 3.8Å; F200-I208 HydrophobicContact CB-CG2 3.92Å; F200-I208 HydrophobicContact CG-CD1 4.25Å; D201-I208 HydrophobicContact CB-CG1 4.34Å; I208-E212 HydrophobicContact CG2-CB 4.1Å; I208-L213 HydrophobicContact CG2-CB 4.02Å; I208-L213 HydrophobicContact CG2-CD1 4.46Å; I208-S244 WeakPolarHBondContact O-CA 3.29Å; I208-I245 HydrophobicContact CB-CB 4.27Å; I208-I245 PolarHBondContact N-O 2.92Å; I208-I245 PolarHBondContact O-N 3Å; I208-F250 HydrophobicContact CD1-CD2 3.77Å; I208-F250 HydrophobicContact CD1-CE2 3.88Å
209	T	86.8	Confident	81.1	Confident	43 Å²	43	62.6 Å²	62.6	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	166	176.4	64.9	0	0	0	0	111.7	E211 E212 L213	T209-E211 PolarHBondContact O-N 3.34Å; T209-E212 WeakPolarHBondContact CB-OE2 3.28Å; T209-E212 WeakPolarHBondContact CG2-OE2 3.18Å; T209-E212 PolarHBondContact N-OE2 3.32Å; T209-E212 PolarHBondContact O-N 3.28Å; T209-E212 WeakPolarHBondContact OG1-CG 3.38Å; T209-E212 PolarHBondContact OG1-N 2.83Å; T209-E212 PolarHBondContact OG1-OE2 3.02Å; T209-L213 WeakPolarHBondContact O-CB 3.36Å; T209-L213 PolarHBondContact O-N 2.9Å
210	L	83.2	Confident	80.6	Confident	45 Å²	45	58.6 Å²	58.6	24%	0.236	33%	0.325	C	S	.	.	H	α-helix	trans	-59.4	-33.9	176.3	-174	142	0	0	0	112.7	K214 L230 E231 L234	L210-K214 WeakPolarHBondContact O-CB 3.3Å; L210-K214 PolarHBondContact O-N 2.85Å; L210-K214 VanDerWaalsContact O-N 3.07Å; L210-L230 HydrophobicContact CD1-CD2 4.4Å; L210-L230 HydrophobicContact CD2-CD2 3.76Å; L210-L230 HydrophobicContact CG-CD2 3.69Å; L210-L230 WeakPolarHBondContact O-CD2 3.16Å; L210-E231 HydrophobicContact CD1-CG 4.09Å; L210-L234 HydrophobicContact CB-CD2 4.24Å; L210-L234 HydrophobicContact CD1-CD2 3.82Å
211	E	84.4	Confident	79.9	Confident	155 Å²	155	61.5 Å²	61.5	72%	0.724	34%	0.34	S	S	*	.	H	α-helix	trans	-70.6	-42.7	179.7	-60.5	-166.8	169.8	0	0	111.2	T209 K214 E215	T209-E211 PolarHBondContact O-N 3.34Å; E211-K214 WeakPolarHBondContact O-CB 3.2Å; E211-K214 PolarHBondContact O-N 3.21Å; E211-E215 PolarHBondContact O-N 2.86Å
212	E	86.3	Confident	78.9	Confident	14 Å²	14	64 Å²	64	7%	0.065	37%	0.37	C	S	.	.	H	α-helix	trans	-67	-43.7	176	-74.2	171.3	134.2	0	0	112.5	F200 C202 D203 I208 T209 K214 E215 G216	F200-E212 WeakPolarHBondContact O-CB 3.49Å; C202-E212 HydrophobicContact CB-CG 4.33Å; C202-E212 PolarHBondContact N-OE1 3.47Å; D203-E212 PolarHBondContact N-OE1 3.47Å; I208-E212 HydrophobicContact CG2-CB 4.1Å; T209-E212 WeakPolarHBondContact CB-OE2 3.28Å; T209-E212 WeakPolarHBondContact CG2-OE2 3.18Å; T209-E212 PolarHBondContact N-OE2 3.32Å; T209-E212 PolarHBondContact O-N 3.28Å; T209-E212 WeakPolarHBondContact OG1-CG 3.38Å; T209-E212 PolarHBondContact OG1-N 2.83Å; T209-E212 PolarHBondContact OG1-OE2 3.02Å; E212-K214 VanDerWaalsContact C-N 3.25Å; E212-K214 PolarHBondContact O-N 2.73Å; E212-E215 PolarHBondContact O-N 3.28Å; E212-G216 PolarHBondContact O-N 2.83Å
213	L	80.2	Confident	78	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-58.2	-42.3	173.8	-173.4	65.7	0	0	0	110.7	F200 I208 T209 M217 L230 I233 I245	F200-L213 HydrophobicContact CD1-CD1 4.3Å; F200-L213 HydrophobicContact CE1-CD1 4.14Å; I208-L213 HydrophobicContact CG2-CB 4.02Å; I208-L213 HydrophobicContact CG2-CD1 4.46Å; T209-L213 WeakPolarHBondContact O-CB 3.36Å; T209-L213 PolarHBondContact O-N 2.9Å; L213-M217 HydrophobicContact CD1-CE 3.67Å; L213-M217 HydrophobicContact CD1-CG 4.33Å; L213-M217 HydrophobicContact CG-CG 4.37Å; L213-M217 VanDerWaalsContact O-CB 3.27Å; L213-M217 WeakPolarHBondContact O-CB 3.37Å; L213-M217 WeakPolarHBondContact O-CG 3.21Å; L213-M217 PolarHBondContact O-N 2.81Å; L213-L230 HydrophobicContact CD2-CD1 4.45Å; L213-L230 HydrophobicContact CD2-CG 4.49Å; L213-L230 HydrophobicContact CG-CD1 4.42Å; L213-I233 HydrophobicContact CD2-CG2 4.3Å; L213-I245 HydrophobicContact CD1-CD1 4.43Å; L213-I245 HydrophobicContact CD2-CD1 3.97Å
214	K	79.8	Confident	77	Confident	119 Å²	119	69.8 Å²	69.8	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-63.5	-44.5	177.6	-171.4	-178	172.7	-170.7	0	112.2	L210 E211 E212 K218 L230	L210-K214 WeakPolarHBondContact O-CB 3.3Å; L210-K214 PolarHBondContact O-N 2.85Å; L210-K214 VanDerWaalsContact O-N 3.07Å; E211-K214 WeakPolarHBondContact O-CB 3.2Å; E211-K214 PolarHBondContact O-N 3.21Å; E212-K214 VanDerWaalsContact C-N 3.25Å; E212-K214 PolarHBondContact O-N 2.73Å; K214-K218 VanDerWaalsContact O-CB 3.26Å; K214-K218 WeakPolarHBondContact O-CB 3.47Å; K214-K218 PolarHBondContact O-N 2.83Å; K214-L230 HydrophobicContact CB-CD1 4.48Å; K214-L230 HydrophobicContact CB-CD2 3.58Å; K214-L230 HydrophobicContact CD-CD2 4.39Å; K214-L230 HydrophobicContact CG-CD2 4.05Å
215	E	80.4	Confident	76.2	Confident	120 Å²	120	68.6 Å²	68.6	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-68.5	-44.5	-179.1	-176.1	137.7	-145	0	0	111.4	E211 E212 K218 T219	E211-E215 PolarHBondContact O-N 2.86Å; E212-E215 PolarHBondContact O-N 3.28Å; E215-K218 PolarHBondContact O-N 3.49Å; E215-T219 WeakPolarHBondContact O-CB 3.4Å; E215-T219 PolarHBondContact O-N 2.89Å; E215-T219 PolarHBondContact O-OG1 3.3Å
216	G	76.7	Confident	75.6	Confident	11 Å²	11	71.4 Å²	71.4	11%	0.113	37%	0.37	C	S	.	.	H	α-helix	trans	-57	-56.3	171.3	0	0	0	0	0	111	E212 K218 T219 L220	E212-G216 PolarHBondContact O-N 2.83Å; G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 2.86Å; G216-T219 CarbonylContact O-C 3.51Å; G216-T219 WeakPolarHBondContact O-CA 3.17Å; G216-T219 WeakPolarHBondContact O-CB 3.42Å; G216-T219 PolarHBondContact O-N 3.09Å; G216-L220 VanDerWaalsContact O-CG 3.25Å; G216-L220 WeakPolarHBondContact O-CG 3.4Å; G216-L220 PolarHBondContact O-N 2.8Å
217	M	72.7	Confident	74.9	Confident	7 Å²	7	76.7 Å²	76.7	3%	0.034	38%	0.382	C	S	.	.	H	α-helix	trans	-57.4	-40.1	-179.1	-70.8	-65.9	157.2	0	0	113.2	V90 F200 L213 T219 L220 L221 L225	V90-M217 HydrophobicContact CG1-CE 3.33Å; V90-M217 HydrophobicContact CG1-SD 4.01Å; F200-M217 HydrophobicContact CE1-CE 3.98Å; F200-M217 HydrophobicContact CZ-CE 3.97Å; L213-M217 HydrophobicContact CD1-CE 3.67Å; L213-M217 HydrophobicContact CD1-CG 4.33Å; L213-M217 HydrophobicContact CG-CG 4.37Å; L213-M217 VanDerWaalsContact O-CB 3.27Å; L213-M217 WeakPolarHBondContact O-CB 3.37Å; L213-M217 WeakPolarHBondContact O-CG 3.21Å; L213-M217 PolarHBondContact O-N 2.81Å; M217-T219 VanDerWaalsContact C-N 3.29Å; M217-T219 PolarHBondContact O-N 3.2Å; M217-L220 PolarHBondContact O-N 3.07Å; M217-L221 HydrophobicContact CB-CD1 4.27Å; M217-L221 WeakPolarHBondContact O-CB 3.32Å; M217-L221 WeakPolarHBondContact O-CD1 3.4Å; M217-L221 PolarHBondContact O-N 2.93Å; M217-L221 HydrophobicContact SD-CD1 3.52Å; M217-L221 VanDerWaalsContact SD-CD1 3.52Å; M217-L225 HydrophobicContact CB-CD1 3.88Å; M217-L225 HydrophobicContact CG-CD1 3.96Å; M217-L225 HydrophobicContact SD-CD1 4.49Å
218	K	75.3	Confident	74.2	Confident	111 Å²	111	75.4 Å²	75.4	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-37.5	175.1	179.6	-172.5	167.3	-154	0	111.9	K214 E215 G216 G222	K214-K218 VanDerWaalsContact O-CB 3.26Å; K214-K218 WeakPolarHBondContact O-CB 3.47Å; K214-K218 PolarHBondContact O-N 2.83Å; E215-K218 PolarHBondContact O-N 3.49Å; G216-K218 VanDerWaalsContact C-N 3.29Å; G216-K218 PolarHBondContact O-N 2.86Å; K218-G222 VanDerWaalsContact O-CA 3.3Å; K218-G222 WeakPolarHBondContact O-CA 3.38Å; K218-G222 PolarHBondContact O-N 3.49Å
219	T	70.1	Confident	73.7	Confident	105 Å²	105	78.7 Å²	78.7	64%	0.644	41%	0.405	S	S	*	.	H	α-helix	trans	-75.1	-38.1	179	-53.7	0	0	0	0	111.6	E215 G216 M217	E215-T219 WeakPolarHBondContact O-CB 3.4Å; E215-T219 PolarHBondContact O-N 2.89Å; E215-T219 PolarHBondContact O-OG1 3.3Å; G216-T219 CarbonylContact O-C 3.51Å; G216-T219 WeakPolarHBondContact O-CA 3.17Å; G216-T219 WeakPolarHBondContact O-CB 3.42Å; G216-T219 PolarHBondContact O-N 3.09Å; M217-T219 VanDerWaalsContact C-N 3.29Å; M217-T219 PolarHBondContact O-N 3.2Å
220	L	64.6	Low	73.1	Confident	28 Å²	28	76.8 Å²	76.8	15%	0.147	39%	0.394	C	S	.	.	H	α-helix	trans	-81.6	-46.1	-175.6	-55.1	-166.6	0	0	0	113.7	Y94 Y97 F200 G216 M217	Y94-L220 HydrophobicContact CD2-CD1 3.72Å; Y94-L220 HydrophobicContact CE2-CD1 3.75Å; Y97-L220 HydrophobicContact CD1-CB 4.27Å; Y97-L220 HydrophobicContact CD1-CD1 3.59Å; Y97-L220 HydrophobicContact CD1-CD2 3.98Å; Y97-L220 HydrophobicContact CD1-CG 4.1Å; Y97-L220 HydrophobicContact CD2-CB 4.19Å; Y97-L220 HydrophobicContact CE1-CB 4.3Å; Y97-L220 HydrophobicContact CE1-CD1 3.64Å; Y97-L220 HydrophobicContact CE1-CD2 3.21Å; Y97-L220 HydrophobicContact CE1-CG 3.84Å; Y97-L220 HydrophobicContact CE2-CB 4.31Å; Y97-L220 HydrophobicContact CE2-CD2 3.94Å; Y97-L220 HydrophobicContact CG-CB 4.19Å; Y97-L220 HydrophobicContact CG-CD1 4.25Å; Y97-L220 VanDerWaalsContact OH-CD2 3.32Å; Y97-L220 WeakPolarHBondContact OH-CD2 3.49Å; F200-L220 HydrophobicContact CE1-CD1 4.29Å; F200-L220 HydrophobicContact CE2-CD1 3.81Å; F200-L220 HydrophobicContact CZ-CD1 3.36Å; F200-L220 HydrophobicContact CZ-CG 4.3Å; G216-L220 VanDerWaalsContact O-CG 3.25Å; G216-L220 WeakPolarHBondContact O-CG 3.4Å; G216-L220 PolarHBondContact O-N 2.8Å; M217-L220 PolarHBondContact O-N 3.07Å
221	L	62.9	Low	72.8	Confident	66 Å²	66	79.3 Å²	79.3	35%	0.346	40%	0.404	S	S	.	.	H	α-helix	trans	-89	-17.1	-179	-72.4	96.8	0	0	0	112.8	A93 M217 E223	A93-L221 HydrophobicContact CB-CD1 4.39Å; A93-L221 HydrophobicContact CB-CD2 3.6Å; A93-L221 HydrophobicContact CB-CG 4.12Å; M217-L221 HydrophobicContact CB-CD1 4.27Å; M217-L221 WeakPolarHBondContact O-CB 3.32Å; M217-L221 WeakPolarHBondContact O-CD1 3.4Å; M217-L221 PolarHBondContact O-N 2.93Å; M217-L221 HydrophobicContact SD-CD1 3.52Å; M217-L221 VanDerWaalsContact SD-CD1 3.52Å; L221-E223 PolarHBondContact O-N 3.44Å
222	G	60.8	Low	72.5	Confident	66 Å²	66	74.8 Å²	74.8	68%	0.68	38%	0.383	S	S	*	.	S	Bend	trans	66.6	-3.6	-170.4	0	0	0	0	0	114	K218	K218-G222 VanDerWaalsContact O-CA 3.3Å; K218-G222 WeakPolarHBondContact O-CA 3.38Å; K218-G222 PolarHBondContact O-N 3.49Å
223	E	60.9	Low	71.9	Confident	142 Å²	142	74.3 Å²	74.3	66%	0.664	38%	0.381	S	S	*	.	S	Bend	trans	-103.3	141.3	177.5	-74.9	-165.9	154.2	0	0	111.5	L221 L225	L221-E223 PolarHBondContact O-N 3.44Å; E223-L225 PolarHBondContact O-N 3.07Å
224	K	62.9	Low	71.8	Confident	177 Å²	177	75 Å²	75	77%	0.77	38%	0.384	S	S	*	.			trans	-83	104.3	173.2	-68.1	178.8	-178.3	175.5	0	108.7
225	L	66.9	Low	71.7	Confident	32 Å²	32	71.7 Å²	71.7	17%	0.168	38%	0.384	C	S	.	.			trans	-60.6	140.1	165.3	-65.9	175.2	0	0	0	109.8	M217 E223 L230 I233	M217-L225 HydrophobicContact CB-CD1 3.88Å; M217-L225 HydrophobicContact CG-CD1 3.96Å; M217-L225 HydrophobicContact SD-CD1 4.49Å; E223-L225 PolarHBondContact O-N 3.07Å; L225-L230 HydrophobicContact CB-CD1 4.28Å; L225-L230 HydrophobicContact CD1-CD1 3.9Å; L225-I233 HydrophobicContact CD1-CD1 4.01Å
226	K	73.8	Confident	71.5	Confident	144 Å²	144	68.6 Å²	68.6	63%	0.626	37%	0.371	S	S	*	.			trans	-72.2	151.8	175.4	-66.3	173.9	-170.7	150.6	0	109.5	G228 E229 L230	K226-G228 PolarHBondContact O-N 3.41Å; K226-E229 HydrophobicContact CB-CG 4.19Å; K226-E229 PolarHBondContact N-OE2 3.42Å; K226-E229 IonicContact NZ-OE1 3.95Å; K226-E229 WeakPolarHBondContact O-CB 2.8Å; K226-E229 PolarHBondContact O-N 2.94Å; K226-L230 PolarHBondContact O-N 3.2Å; K226-L230 VanDerWaalsContact O-N 3.08Å
227	K	69.8	Low	71.5	Confident	148 Å²	148	68.3 Å²	68.3	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-52.8	-42.9	-179.9	-160.9	-172.3	179.6	-163.9	0	112.6	E229 L230 E231	K227-E229 VanDerWaalsContact C-N 3.34Å; K227-E229 PolarHBondContact O-N 3.19Å; K227-L230 PolarHBondContact O-N 2.94Å; K227-E231 WeakPolarHBondContact CE-OE1 3.14Å; K227-E231 IonicContact NZ-OE1 3.72Å; K227-E231 WeakPolarHBondContact O-CG 3.45Å; K227-E231 PolarHBondContact O-N 3.4Å
228	G	74.6	Confident	72.1	Confident	47 Å²	47	68.5 Å²	68.5	49%	0.485	37%	0.368	S	S	.	.	H	α-helix	trans	-71.3	-23.1	178.2	0	0	0	0	0	115	K226 E232	K226-G228 PolarHBondContact O-N 3.41Å; G228-E232 PolarHBondContact O-N 2.64Å
229	E	73.9	Confident	72.3	Confident	69 Å²	69	68.5 Å²	68.5	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-75.9	-40.6	173.7	-67.8	162.2	177.3	0	0	109.5	K226 K227 E232 I233	K226-E229 HydrophobicContact CB-CG 4.19Å; K226-E229 PolarHBondContact N-OE2 3.42Å; K226-E229 IonicContact NZ-OE1 3.95Å; K226-E229 WeakPolarHBondContact O-CB 2.8Å; K226-E229 PolarHBondContact O-N 2.94Å; K227-E229 VanDerWaalsContact C-N 3.34Å; K227-E229 PolarHBondContact O-N 3.19Å; E229-E232 PolarHBondContact O-N 3.29Å; E229-I233 VanDerWaalsContact O-CD1 3.27Å; E229-I233 WeakPolarHBondContact O-CD1 3.47Å; E229-I233 WeakPolarHBondContact O-CG1 3.41Å; E229-I233 PolarHBondContact O-N 3.37Å
230	L	74.9	Confident	73	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-66	-39.8	177.8	-153.6	86	0	0	0	112.7	L210 L213 K214 L225 K226 K227 E232 I233 L234	L210-L230 HydrophobicContact CD1-CD2 4.4Å; L210-L230 HydrophobicContact CD2-CD2 3.76Å; L210-L230 HydrophobicContact CG-CD2 3.69Å; L210-L230 WeakPolarHBondContact O-CD2 3.16Å; L213-L230 HydrophobicContact CD2-CD1 4.45Å; L213-L230 HydrophobicContact CD2-CG 4.49Å; L213-L230 HydrophobicContact CG-CD1 4.42Å; K214-L230 HydrophobicContact CB-CD1 4.48Å; K214-L230 HydrophobicContact CB-CD2 3.58Å; K214-L230 HydrophobicContact CD-CD2 4.39Å; K214-L230 HydrophobicContact CG-CD2 4.05Å; L225-L230 HydrophobicContact CB-CD1 4.28Å; L225-L230 HydrophobicContact CD1-CD1 3.9Å; K226-L230 PolarHBondContact O-N 3.2Å; K226-L230 VanDerWaalsContact O-N 3.08Å; K227-L230 PolarHBondContact O-N 2.94Å; L230-E232 VanDerWaalsContact C-N 3.33Å; L230-I233 PolarHBondContact O-N 3.21Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 PolarHBondContact O-N 3.12Å
231	E	77.4	Confident	74	Confident	98 Å²	98	74.4 Å²	74.4	46%	0.458	39%	0.392	S	S	.	.	H	α-helix	trans	-65.3	-35.6	174.8	-73.7	169.7	-168.5	0	0	112	L210 K227 G235	L210-E231 HydrophobicContact CD1-CG 4.09Å; K227-E231 WeakPolarHBondContact CE-OE1 3.14Å; K227-E231 IonicContact NZ-OE1 3.72Å; K227-E231 WeakPolarHBondContact O-CG 3.45Å; K227-E231 PolarHBondContact O-N 3.4Å; E231-G235 PolarHBondContact O-N 2.66Å
232	E	77.4	Confident	75	Confident	60 Å²	60	74.6 Å²	74.6	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-68.7	-43.3	174.4	-170.2	178.9	-163.7	0	0	111.2	N86 G228 E229 L230 G235 D236	N86-E232 PolarHBondContact ND2-OE2 3.46Å; G228-E232 PolarHBondContact O-N 2.64Å; E229-E232 PolarHBondContact O-N 3.29Å; L230-E232 VanDerWaalsContact C-N 3.33Å; E232-G235 PolarHBondContact O-N 3.12Å; E232-D236 PolarHBondContact O-N 2.9Å; E232-D236 VanDerWaalsContact O-N 3.11Å
233	I	75	Confident	76.1	Confident	3 Å²	3	73 Å²	73	2%	0.015	38%	0.378	C	S	.	.	H	α-helix	trans	-59.9	-48.1	175.5	-69.2	157.1	0	0	0	110.7	V90 L213 L225 E229 L230 G235 D236 I237	V90-I233 HydrophobicContact CB-CG2 4.46Å; V90-I233 HydrophobicContact CG1-CG2 4.42Å; V90-I233 HydrophobicContact CG2-CB 4.45Å; V90-I233 HydrophobicContact CG2-CD1 3.29Å; V90-I233 HydrophobicContact CG2-CG1 3.62Å; V90-I233 HydrophobicContact CG2-CG2 3.94Å; L213-I233 HydrophobicContact CD2-CG2 4.3Å; L225-I233 HydrophobicContact CD1-CD1 4.01Å; E229-I233 VanDerWaalsContact O-CD1 3.27Å; E229-I233 WeakPolarHBondContact O-CD1 3.47Å; E229-I233 WeakPolarHBondContact O-CG1 3.41Å; E229-I233 PolarHBondContact O-N 3.37Å; L230-I233 PolarHBondContact O-N 3.21Å; I233-G235 VanDerWaalsContact C-N 3.34Å; I233-G235 PolarHBondContact O-N 3.35Å; I233-D236 PolarHBondContact O-N 2.72Å; I233-I237 HydrophobicContact CG2-CD1 3.56Å; I233-I237 WeakPolarHBondContact O-CD1 3.48Å; I233-I237 WeakPolarHBondContact O-CG1 3.23Å; I233-I237 PolarHBondContact O-N 3.39Å
234	L	78.1	Confident	77.3	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-47.8	178.2	-174.5	68.7	0	0	0	110.2	L210 L230 D236 I237 D238 I245	L210-L234 HydrophobicContact CB-CD2 4.24Å; L210-L234 HydrophobicContact CD1-CD2 3.82Å; L230-L234 WeakPolarHBondContact O-CB 3.38Å; L230-L234 PolarHBondContact O-N 3.12Å; L234-D236 PolarHBondContact O-N 3.34Å; L234-D236 VanDerWaalsContact O-N 3.15Å; L234-I237 PolarHBondContact O-N 3.15Å; L234-I237 VanDerWaalsContact O-N 3.11Å; L234-D238 HydrophobicContact CD1-CB 4.26Å; L234-D238 HydrophobicContact CG-CB 4.29Å; L234-D238 WeakPolarHBondContact O-CB 3.22Å; L234-D238 PolarHBondContact O-N 2.66Å; L234-I245 HydrophobicContact CD1-CD1 3.89Å; L234-I245 HydrophobicContact CD1-CG1 3.65Å
235	G	75.8	Confident	78.4	Confident	49 Å²	49	58.8 Å²	58.8	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-18.2	179.9	0	0	0	0	0	115.4	E231 E232 I233	E231-G235 PolarHBondContact O-N 2.66Å; E232-G235 PolarHBondContact O-N 3.12Å; I233-G235 VanDerWaalsContact C-N 3.34Å; I233-G235 PolarHBondContact O-N 3.35Å
236	D	76.6	Confident	79.4	Confident	56 Å²	56	59.3 Å²	59.3	30%	0.299	32%	0.319	S	S	.	.	H	α-helix	trans	-88.8	-25.8	175	-77.2	-20.7	0	0	0	113	S83 E232 I233 L234	S83-D236 WeakPolarHBondContact CA-OD2 3.32Å; S83-D236 WeakPolarHBondContact CB-OD2 3.31Å; E232-D236 PolarHBondContact O-N 2.9Å; E232-D236 VanDerWaalsContact O-N 3.11Å; I233-D236 PolarHBondContact O-N 2.72Å; L234-D236 PolarHBondContact O-N 3.34Å; L234-D236 VanDerWaalsContact O-N 3.15Å
237	I	77.7	Confident	79.8	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-97.4	-43.4	-176.8	-60.5	161.1	0	0	0	111.4	I233 L234 L239 I245 E249 M253	I233-I237 HydrophobicContact CG2-CD1 3.56Å; I233-I237 WeakPolarHBondContact O-CD1 3.48Å; I233-I237 WeakPolarHBondContact O-CG1 3.23Å; I233-I237 PolarHBondContact O-N 3.39Å; L234-I237 PolarHBondContact O-N 3.15Å; L234-I237 VanDerWaalsContact O-N 3.11Å; I237-L239 PolarHBondContact O-N 3.23Å; I237-I245 HydrophobicContact CB-CD1 4.24Å; I237-I245 HydrophobicContact CB-CG1 4.45Å; I237-I245 HydrophobicContact CD1-CD1 4.1Å; I237-I245 HydrophobicContact CG2-CB 4.49Å; I237-I245 HydrophobicContact CG2-CD1 3.93Å; I237-I245 HydrophobicContact CG2-CG1 3.96Å; I237-I245 HydrophobicContact CG2-CG2 3.75Å; I237-E249 HydrophobicContact CG2-CB 4.35Å; I237-M253 HydrophobicContact CD1-CE 4.25Å; I237-M253 HydrophobicContact CD1-CG 4.1Å; I237-M253 HydrophobicContact CD1-SD 3.36Å; I237-M253 WeakPolarHBondContact CD1-SD 3.39Å; I237-M253 HydrophobicContact CG1-CB 4.28Å; I237-M253 HydrophobicContact CG1-CG 4.08Å; I237-M253 HydrophobicContact CG1-SD 4.01Å; I237-M253 HydrophobicContact CG2-CB 4.12Å; I237-M253 HydrophobicContact CG2-CE 4.48Å
238	D	84.2	Confident	80.4	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.064	30%	0.301	C	S	.	.			trans	-69.1	90.9	178	178.4	6.7	0	0	0	109.4	L234 N240 K241 D242 G243	L234-D238 HydrophobicContact CD1-CB 4.26Å; L234-D238 HydrophobicContact CG-CB 4.29Å; L234-D238 WeakPolarHBondContact O-CB 3.22Å; L234-D238 PolarHBondContact O-N 2.66Å; D238-N240 PolarHBondContact OD1-OD1 3.45Å; D238-K241 VanDerWaalsContact CG-CA 3.47Å; D238-K241 WeakPolarHBondContact OD1-CA 3.43Å; D238-K241 PolarHBondContact OD1-N 3.36Å; D238-K241 VanDerWaalsContact OD2-CA 3.27Å; D238-K241 WeakPolarHBondContact OD2-CA 3.43Å; D238-D242 PolarHBondContact OD1-N 3.26Å; D238-D242 VanDerWaalsContact OD1-N 3.17Å; D238-D242 PolarHBondContact OD2-N 2.98Å; D238-G243 VanDerWaalsContact OD2-CA 3.31Å; D238-G243 WeakPolarHBondContact OD2-CA 3.44Å; D238-G243 PolarHBondContact OD2-N 2.86Å
239	L	81.1	Confident	80.8	Confident	111 Å²	111	52.1 Å²	52.1	58%	0.581	28%	0.28	S	S	*	.	S	Bend	trans	-76	-36.7	-178.6	-71.1	-170.9	0	0	0	110.9	I237 K241 E249 M252	I237-L239 PolarHBondContact O-N 3.23Å; L239-K241 VanDerWaalsContact C-N 3.29Å; L239-E249 PolarHBondContact N-OE1 2.93Å; L239-M252 HydrophobicContact CD1-CE 3.16Å; L239-M252 HydrophobicContact CD1-SD 3.65Å; L239-M252 HydrophobicContact CD2-CE 3.99Å; L239-M252 HydrophobicContact CG-CE 3.55Å
240	N	84.2	Confident	81	Confident	78 Å²	78	49 Å²	49	42%	0.417	27%	0.266	S	S	.	.	S	Bend	trans	-80.9	-12.8	-176	72.1	31.1	0	0	0	112.3	D238 D242 D246 E249	D238-N240 PolarHBondContact OD1-OD1 3.45Å; N240-D242 VanDerWaalsContact C-N 3.29Å; N240-D242 PolarHBondContact O-N 3.45Å; N240-D242 WeakPolarHBondContact OD1-CB 3.17Å; N240-D242 PolarHBondContact OD1-N 2.9Å; N240-D242 PolarHBondContact OD1-OD1 3.48Å; N240-D246 PolarHBondContact ND2-OD2 2.9Å; N240-E249 VanDerWaalsContact CG-OE1 3.26Å; N240-E249 PolarHBondContact N-OE1 3.23Å; N240-E249 VanDerWaalsContact N-OE1 3.11Å; N240-E249 PolarHBondContact ND2-OE1 3.39Å
241	K	84.3	Confident	81	Confident	178 Å²	178	50.2 Å²	50.2	77%	0.774	27%	0.273	S	S	*	.			trans	59.6	33.7	-178.6	-60.4	-172.2	179.2	-175.5	0	113.5	D238 L239 G243	D238-K241 VanDerWaalsContact CG-CA 3.47Å; D238-K241 WeakPolarHBondContact OD1-CA 3.43Å; D238-K241 PolarHBondContact OD1-N 3.36Å; D238-K241 VanDerWaalsContact OD2-CA 3.27Å; D238-K241 WeakPolarHBondContact OD2-CA 3.43Å; L239-K241 VanDerWaalsContact C-N 3.29Å; K241-G243 VanDerWaalsContact C-N 3.26Å
242	D	85.6	Confident	80.7	Confident	70 Å²	70	49.7 Å²	49.7	37%	0.374	27%	0.272	S	S	.	.	S	Bend	trans	-84	-3.7	176.9	86.9	-4.8	0	0	0	112.9	K207 D238 N240 S244	K207-D242 IonicContact NZ-OD2 2.76Å; K207-D242 PolarHBondContact NZ-OD2 3.17Å; D238-D242 PolarHBondContact OD1-N 3.26Å; D238-D242 VanDerWaalsContact OD1-N 3.17Å; D238-D242 PolarHBondContact OD2-N 2.98Å; N240-D242 VanDerWaalsContact C-N 3.29Å; N240-D242 PolarHBondContact O-N 3.45Å; N240-D242 WeakPolarHBondContact OD1-CB 3.17Å; N240-D242 PolarHBondContact OD1-N 2.9Å; N240-D242 PolarHBondContact OD1-OD1 3.48Å; D242-S244 VanDerWaalsContact C-N 3.29Å; D242-S244 WeakPolarHBondContact OD1-CA 3.22Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 2.89Å; D242-S244 VanDerWaalsContact OD1-O 3.1Å
243	G	83.4	Confident	80.4	Confident	34 Å²	34	47.7 Å²	47.7	35%	0.351	26%	0.263	S	S	.	.	S	Bend	trans	81.6	7.8	178.5	0	0	0	0	0	113.8	D238 K241	D238-G243 VanDerWaalsContact OD2-CA 3.31Å; D238-G243 WeakPolarHBondContact OD2-CA 3.44Å; D238-G243 PolarHBondContact OD2-N 2.86Å; K241-G243 VanDerWaalsContact C-N 3.26Å
244	S	86.3	Confident	79.8	Confident	19 Å²	19	48.6 Å²	48.6	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	165	178.2	-41	0	0	0	0	109.4	I208 D242	I208-S244 WeakPolarHBondContact O-CA 3.29Å; D242-S244 VanDerWaalsContact C-N 3.29Å; D242-S244 WeakPolarHBondContact OD1-CA 3.22Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 2.89Å; D242-S244 VanDerWaalsContact OD1-O 3.1Å
245	I	85.9	Confident	78.7	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.9	175.1	-58.8	168.7	0	0	0	107.7	I208 L213 L234 I237 E249 F250	I208-I245 HydrophobicContact CB-CB 4.27Å; I208-I245 PolarHBondContact N-O 2.92Å; I208-I245 PolarHBondContact O-N 3Å; L213-I245 HydrophobicContact CD1-CD1 4.43Å; L213-I245 HydrophobicContact CD2-CD1 3.97Å; L234-I245 HydrophobicContact CD1-CD1 3.89Å; L234-I245 HydrophobicContact CD1-CG1 3.65Å; I237-I245 HydrophobicContact CB-CD1 4.24Å; I237-I245 HydrophobicContact CB-CG1 4.45Å; I237-I245 HydrophobicContact CD1-CD1 4.1Å; I237-I245 HydrophobicContact CG2-CB 4.49Å; I237-I245 HydrophobicContact CG2-CD1 3.93Å; I237-I245 HydrophobicContact CG2-CG1 3.96Å; I237-I245 HydrophobicContact CG2-CG2 3.75Å; I245-E249 HydrophobicContact CG2-CB 3.99Å; I245-F250 HydrophobicContact CG2-CB 4Å; I245-F250 HydrophobicContact CG2-CD2 4.39Å
246	D	88	Confident	77.6	Confident	43 Å²	43	53.4 Å²	53.4	23%	0.23	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	172.1	173.2	70.4	43.3	0	0	0	112.3	N240 D248 E249 F250	N240-D246 PolarHBondContact ND2-OD2 2.9Å; D246-D248 VanDerWaalsContact C-N 3.28Å; D246-D248 PolarHBondContact O-N 2.92Å; D246-D248 WeakPolarHBondContact OD1-CA 3.47Å; D246-D248 WeakPolarHBondContact OD1-CB 3.44Å; D246-D248 PolarHBondContact OD1-N 3.44Å; D246-E249 PolarHBondContact N-OE2 3.46Å; D246-E249 PolarHBondContact O-N 3.38Å; D246-E249 WeakPolarHBondContact OD1-CG 3.32Å; D246-E249 PolarHBondContact OD1-N 2.93Å; D246-F250 VanDerWaalsContact O-CB 3.28Å; D246-F250 WeakPolarHBondContact O-CB 3.23Å; D246-F250 PolarHBondContact O-N 3.37Å
247	F	82.4	Confident	76	Confident	56 Å²	56	65.4 Å²	65.4	25%	0.246	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-35.3	-178.2	-177.5	-106.3	0	0	0	113	L190 L193 R194 F197 F250 V251	L190-F247 HydrophobicContact CD2-CE1 4.16Å; L190-F247 HydrophobicContact CD2-CZ 4.11Å; L193-F247 HydrophobicContact CB-CE2 4.39Å; R194-F247 HydrophobicContact CB-CE2 3.88Å; R194-F247 HydrophobicContact CB-CZ 4.11Å; R194-F247 HydrophobicContact CG-CE2 4.22Å; F197-F247 HydrophobicContact CB-CD2 4.07Å; F197-F247 HydrophobicContact CB-CE2 4.36Å; F197-F247 HydrophobicContact CD1-CD2 4.45Å; F197-F247 HydrophobicContact CD2-CB 4.42Å; F197-F247 AromaticContact CD2-CD2 3.94Å; F197-F247 HydrophobicContact CD2-CD2 3.94Å; F197-F247 HydrophobicContact CE2-CB 4.22Å; F197-F247 AromaticContact CG-CD2 3.89Å; F197-F247 HydrophobicContact CG-CD2 3.89Å; F197-F247 HydrophobicContact CZ-CB 4.42Å; F247-F250 WeakPolarHBondContact O-CB 3.49Å; F247-F250 PolarHBondContact O-N 3.07Å; F247-V251 HydrophobicContact CD1-CG2 4.17Å; F247-V251 HydrophobicContact CE1-CG2 3.8Å; F247-V251 HydrophobicContact CE2-CG2 4.17Å; F247-V251 HydrophobicContact CZ-CG2 3.8Å; F247-V251 WeakPolarHBondContact O-CG2 3.29Å; F247-V251 PolarHBondContact O-N 3.45Å
248	D	81.6	Confident	75.9	Confident	122 Å²	122	68.5 Å²	68.5	65%	0.652	36%	0.357	S	S	*	.	H	α-helix	trans	-74.5	-41	-177.9	-70.8	-28	0	0	0	110.7	D246 F250 V251 M252	D246-D248 VanDerWaalsContact C-N 3.28Å; D246-D248 PolarHBondContact O-N 2.92Å; D246-D248 WeakPolarHBondContact OD1-CA 3.47Å; D246-D248 WeakPolarHBondContact OD1-CB 3.44Å; D246-D248 PolarHBondContact OD1-N 3.44Å; D248-F250 VanDerWaalsContact C-N 3.32Å; D248-V251 PolarHBondContact O-N 3.23Å; D248-M252 WeakPolarHBondContact O-CB 3.19Å; D248-M252 PolarHBondContact O-N 3.15Å
249	E	83.8	Confident	75.4	Confident	10 Å²	10	71.5 Å²	71.5	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-62	-40.6	171.9	-70.4	174.5	148.8	0	0	111.3	I237 L239 N240 I245 D246 M252 M253	I237-E249 HydrophobicContact CG2-CB 4.35Å; L239-E249 PolarHBondContact N-OE1 2.93Å; N240-E249 VanDerWaalsContact CG-OE1 3.26Å; N240-E249 PolarHBondContact N-OE1 3.23Å; N240-E249 VanDerWaalsContact N-OE1 3.11Å; N240-E249 PolarHBondContact ND2-OE1 3.39Å; I245-E249 HydrophobicContact CG2-CB 3.99Å; D246-E249 PolarHBondContact N-OE2 3.46Å; D246-E249 PolarHBondContact O-N 3.38Å; D246-E249 WeakPolarHBondContact OD1-CG 3.32Å; D246-E249 PolarHBondContact OD1-N 2.93Å; E249-M252 PolarHBondContact O-N 2.84Å; E249-M253 WeakPolarHBondContact O-CB 3.29Å; E249-M253 PolarHBondContact O-N 3.37Å
250	F	76.9	Confident	75.1	Confident	3 Å²	3	69.3 Å²	69.3	1%	0.013	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-44.7	174.2	-169.9	-101.5	0	0	0	112.2	Y94 F197 F200 I208 I245 D246 F247 D248 M253 L254	Y94-F250 HydrophobicContact CE1-CE1 4.42Å; Y94-F250 AromaticContact CE1-CZ 3.94Å; Y94-F250 HydrophobicContact CE1-CZ 3.94Å; Y94-F250 AromaticContact CZ-CZ 3.75Å; Y94-F250 WeakPolarHBondContact OH-CZ 3.46Å; F197-F250 HydrophobicContact CB-CD1 4.33Å; F197-F250 HydrophobicContact CB-CE1 4.25Å; F197-F250 HydrophobicContact CD2-CB 3.89Å; F197-F250 AromaticContact CD2-CD1 3.95Å; F197-F250 HydrophobicContact CD2-CD1 3.95Å; F197-F250 HydrophobicContact CD2-CD2 4.25Å; F197-F250 AromaticContact CD2-CG 3.79Å; F197-F250 HydrophobicContact CD2-CG 3.79Å; F197-F250 HydrophobicContact CE2-CB 4.14Å; F197-F250 HydrophobicContact CE2-CG 4.43Å; F200-F250 HydrophobicContact CD2-CE2 4.46Å; F200-F250 HydrophobicContact CD2-CZ 4.45Å; F200-F250 HydrophobicContact CE2-CZ 4.48Å; I208-F250 HydrophobicContact CD1-CD2 3.77Å; I208-F250 HydrophobicContact CD1-CE2 3.88Å; I245-F250 HydrophobicContact CG2-CB 4Å; I245-F250 HydrophobicContact CG2-CD2 4.39Å; D246-F250 VanDerWaalsContact O-CB 3.28Å; D246-F250 WeakPolarHBondContact O-CB 3.23Å; D246-F250 PolarHBondContact O-N 3.37Å; F247-F250 WeakPolarHBondContact O-CB 3.49Å; F247-F250 PolarHBondContact O-N 3.07Å; D248-F250 VanDerWaalsContact C-N 3.32Å; F250-M253 HydrophobicContact CB-CE 4.47Å; F250-M253 HydrophobicContact CD2-CE 3.33Å; F250-M253 HydrophobicContact CE2-CE 3.7Å; F250-M253 HydrophobicContact CG-CE 4Å; F250-L254 HydrophobicContact CD1-CD1 3.82Å; F250-L254 HydrophobicContact CE1-CD1 3.55Å; F250-L254 HydrophobicContact CZ-CD1 4.06Å; F250-L254 VanDerWaalsContact O-CG 3.27Å; F250-L254 WeakPolarHBondContact O-CG 3.38Å; F250-L254 PolarHBondContact O-N 3.34Å
251	V	74.6	Confident	74.6	Confident	30 Å²	30	68.8 Å²	68.8	18%	0.182	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-41.5	176.1	172.5	0	0	0	0	111.2	L190 L193 F247 D248 L254 S255	L190-V251 HydrophobicContact CD2-CG2 4.44Å; L193-V251 HydrophobicContact CD2-CB 3.93Å; L193-V251 HydrophobicContact CD2-CG1 4.04Å; L193-V251 HydrophobicContact CD2-CG2 3.53Å; F247-V251 HydrophobicContact CD1-CG2 4.17Å; F247-V251 HydrophobicContact CE1-CG2 3.8Å; F247-V251 HydrophobicContact CE2-CG2 4.17Å; F247-V251 HydrophobicContact CZ-CG2 3.8Å; F247-V251 WeakPolarHBondContact O-CG2 3.29Å; F247-V251 PolarHBondContact O-N 3.45Å; D248-V251 PolarHBondContact O-N 3.23Å; V251-L254 PolarHBondContact O-N 3.24Å; V251-S255 VanDerWaalsContact O-CB 3.3Å; V251-S255 WeakPolarHBondContact O-CB 3.37Å; V251-S255 PolarHBondContact O-N 3.08Å; V251-S255 PolarHBondContact O-OG 3.42Å
252	M	72.8	Confident	74	Confident	87 Å²	87	61.9 Å²	61.9	43%	0.429	33%	0.332	S	S	.	.	H	α-helix	trans	-67.8	-39.9	-178.5	-168	-168.4	60.2	0	0	111.9	L239 D248 E249 L254 S255 A256	L239-M252 HydrophobicContact CD1-CE 3.16Å; L239-M252 HydrophobicContact CD1-SD 3.65Å; L239-M252 HydrophobicContact CD2-CE 3.99Å; L239-M252 HydrophobicContact CG-CE 3.55Å; D248-M252 WeakPolarHBondContact O-CB 3.19Å; D248-M252 PolarHBondContact O-N 3.15Å; E249-M252 PolarHBondContact O-N 2.84Å; M252-L254 PolarHBondContact O-N 3.06Å; M252-S255 PolarHBondContact O-N 2.92Å; M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 3.19Å; M252-A256 VanDerWaalsContact O-N 3.08Å
253	M	69.9	Low	73.2	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-52.9	-42.7	170.2	169.8	-167.2	27.2	0	0	111.4	V90 A91 I237 E249 F250	V90-M253 HydrophobicContact CG1-SD 4.46Å; A91-M253 HydrophobicContact CB-CG 4.48Å; I237-M253 HydrophobicContact CD1-CE 4.25Å; I237-M253 HydrophobicContact CD1-CG 4.1Å; I237-M253 HydrophobicContact CD1-SD 3.36Å; I237-M253 WeakPolarHBondContact CD1-SD 3.39Å; I237-M253 HydrophobicContact CG1-CB 4.28Å; I237-M253 HydrophobicContact CG1-CG 4.08Å; I237-M253 HydrophobicContact CG1-SD 4.01Å; I237-M253 HydrophobicContact CG2-CB 4.12Å; I237-M253 HydrophobicContact CG2-CE 4.48Å; E249-M253 WeakPolarHBondContact O-CB 3.29Å; E249-M253 PolarHBondContact O-N 3.37Å; F250-M253 HydrophobicContact CB-CE 4.47Å; F250-M253 HydrophobicContact CD2-CE 3.33Å; F250-M253 HydrophobicContact CE2-CE 3.7Å; F250-M253 HydrophobicContact CG-CE 4Å
254	L	63.6	Low	72.5	Confident	23 Å²	23	63.4 Å²	63.4	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-83.2	-23.2	-175	-62.3	173.6	0	0	0	113.5	Y94 L193 F250 V251 M252	Y94-L254 HydrophobicContact CD1-CD1 4.19Å; Y94-L254 HydrophobicContact CD1-CD2 3.3Å; Y94-L254 HydrophobicContact CD1-CG 4.38Å; Y94-L254 HydrophobicContact CE1-CD1 3.66Å; Y94-L254 HydrophobicContact CE1-CD2 3.69Å; Y94-L254 HydrophobicContact CE1-CG 4.33Å; Y94-L254 HydrophobicContact CG-CD2 4.38Å; L193-L254 HydrophobicContact CD1-CD1 4.14Å; L193-L254 HydrophobicContact CD2-CB 4.28Å; L193-L254 HydrophobicContact CD2-CD1 3.7Å; L193-L254 HydrophobicContact CG-CD1 3.61Å; F250-L254 HydrophobicContact CD1-CD1 3.82Å; F250-L254 HydrophobicContact CE1-CD1 3.55Å; F250-L254 HydrophobicContact CZ-CD1 4.06Å; F250-L254 VanDerWaalsContact O-CG 3.27Å; F250-L254 WeakPolarHBondContact O-CG 3.38Å; F250-L254 PolarHBondContact O-N 3.34Å; V251-L254 PolarHBondContact O-N 3.24Å; M252-L254 PolarHBondContact O-N 3.06Å
255	S	54.5	Low	71.4	Confident	82 Å²	82	66.8 Å²	66.8	57%	0.573	34%	0.342	S	S	*	.	H	α-helix	trans	-90.4	-13.3	-179.7	-56.8	0	0	0	0	113.2	V251 M252 R257	V251-S255 VanDerWaalsContact O-CB 3.3Å; V251-S255 WeakPolarHBondContact O-CB 3.37Å; V251-S255 PolarHBondContact O-N 3.08Å; V251-S255 PolarHBondContact O-OG 3.42Å; M252-S255 PolarHBondContact O-N 2.92Å; S255-R257 VanDerWaalsContact C-N 3.31Å; S255-R257 PolarHBondContact O-N 3.4Å
256	A	52.4	Low	70.2	Confident	85 Å²	85	72.3 Å²	72.3	70%	0.702	37%	0.37	S	S	*	.			trans	-70.7	82.9	177.3	0	0	0	0	0	111.1	M252	M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 3.19Å; M252-A256 VanDerWaalsContact O-N 3.08Å
257	R	42.2	Very low	68.6	Low	309 Å²	309	74.9 Å²	74.9	100%	1.166	38%	0.383	S	S	*	.			trans	-108	0	172.9	-176.2	177.2	175.4	172.2	-0	111.9	S255	S255-R257 VanDerWaalsContact C-N 3.31Å; S255-R257 PolarHBondContact O-N 3.4Å

Retrieved 257 of 257 residues in 78.2 ms (Link to these results)

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