A0A2K5MRS7_CERAT Loading...

Holocytochrome c-type synthase

Lyase that catalyzes the covalent linking of the heme group to the cytochrome C apoprotein to produce the mature functional cytochrome.

AlphaFold DB , UniProt , Accession A0A2K5MRS7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene HCCS, Length 268 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	36.2	Very low	254 Å²	254	126.3 Å²	126.3	100%	1.251	84%	0.837	S	S	*	*				0	127.7	0	-55.5	-175.6	-114.2	0	0	106.8
2	G	36.2	Very low	36	Very low	65 Å²	65	127.2 Å²	127.2	67%	0.67	84%	0.836	S	S	*	*			cis	-133.6	146.5	-19	0	0	0	0	0	107.7
3	L	31.2	Very low	35.6	Very low	180 Å²	180	132 Å²	132	94%	0.942	84%	0.84	S	S	*	*				67.4	111.7	89.1	-68.7	178.8	0	0	0	115.4
4	S	38.7	Very low	35.4	Very low	101 Å²	101	129.1 Å²	129.1	71%	0.706	84%	0.835	S	S	*	*			trans	-35.1	168.6	168.6	-41.8	0	0	0	0	118.3
5	P	42.1	Very low	35	Very low	135 Å²	135	127.6 Å²	127.6	88%	0.877	83%	0.828	S	S	*	*				-133.5	168.2	82.4	36.9	-24.8	0	0	0	115.6
6	S	34.4	Very low	34.9	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	83%	0.831	S	S	*	*			trans	-112.4	166.2	-173.8	-55.1	0	0	0	0	113.2
7	A	35.1	Very low	34.6	Very low	98 Å²	98	129.6 Å²	129.6	81%	0.81	83%	0.828	S	S	*	*			trans	76.9	158.8	153.4	0	0	0	0	0	117.8
8	P	42.6	Very low	34.5	Very low	120 Å²	120	129 Å²	129	78%	0.779	83%	0.828	S	S	*	*			cis	-119	165.1	5.2	39.6	-26.5	0	0	0	116.1
9	A	36	Very low	34.4	Very low	101 Å²	101	127.4 Å²	127.4	84%	0.835	83%	0.827	S	S	*	*			trans	-77.9	142.3	168.8	0	0	0	0	0	111.2
10	V	34.3	Very low	34.5	Very low	134 Å²	134	126.4 Å²	126.4	81%	0.812	82%	0.823	S	S	*	*			trans	-90.2	115.2	169.5	177.3	0	0	0	0	108.7
11	A	31.6	Very low	34.9	Very low	93 Å²	93	126 Å²	126	77%	0.769	82%	0.82	S	S	*	*			trans	-78.5	118	172.4	0	0	0	0	0	110
12	V	33.8	Very low	35	Very low	137 Å²	137	119.9 Å²	119.9	83%	0.83	80%	0.8	S	S	*	*			trans	-87.4	118	166.4	-179.5	0	0	0	0	107.8	A14	V12-A14 PolarHBondContact O-N 3.06Å
13	Q	30.6	Very low	35.1	Very low	190 Å²	190	122.5 Å²	122.5	89%	0.888	81%	0.808	S	S	*	*			trans	-70.8	107.9	177.9	-70.3	172	-59.4	0	0	110.1	S15	Q13-S15 PolarHBondContact O-N 3.31Å
14	A	32.3	Very low	35.2	Very low	92 Å²	92	117.3 Å²	117.3	76%	0.76	80%	0.798	S	S	*	*			trans	-75.3	116.7	163.1	0	0	0	0	0	109.1	V12 N16	V12-A14 PolarHBondContact O-N 3.06Å; A14-N16 PolarHBondContact O-N 3.41Å
15	S	30.3	Very low	35	Very low	106 Å²	106	119 Å²	119	74%	0.741	81%	0.808	S	S	*	*			trans	-72.5	112.3	173.8	52.3	0	0	0	0	110.4	Q13 T17	Q13-S15 PolarHBondContact O-N 3.31Å; S15-T17 PolarHBondContact O-N 2.97Å
16	N	33	Very low	34.6	Very low	162 Å²	162	117.8 Å²	117.8	87%	0.866	80%	0.8	S	S	*	*			trans	-65.6	102.8	170.8	-88.3	-15.6	0	0	0	110.8	A14	A14-N16 PolarHBondContact O-N 3.41Å
17	T	29.9	Very low	34.3	Very low	127 Å²	127	119.7 Å²	119.7	78%	0.779	80%	0.799	S	S	*	*			trans	-106	92.5	160.7	43.9	0	0	0	0	109.7	S15 A19	S15-T17 PolarHBondContact O-N 2.97Å; T17-A19 PolarHBondContact O-N 3.24Å; T17-A19 VanDerWaalsContact O-N 3.14Å
18	S	32.7	Very low	34.3	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	80%	0.801	S	S	*	*			trans	-68.4	100.5	170.2	51.7	0	0	0	0	110.3
19	A	31.6	Very low	33.7	Very low	98 Å²	98	126.8 Å²	126.8	81%	0.81	81%	0.805	S	S	*	*			trans	-98.4	109.5	172.9	0	0	0	0	0	110.2	T17	T17-A19 PolarHBondContact O-N 3.24Å; T17-A19 VanDerWaalsContact O-N 3.14Å
20	S	38.2	Very low	33.5	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.7	148.9	174.8	-54.2	0	0	0	0	111.6
21	P	41.4	Very low	33.3	Very low	117 Å²	117	129.3 Å²	129.3	76%	0.76	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-66	144.8	173	28.9	-34.7	0	0	0	111
22	P	39.3	Very low	33.3	Very low	126 Å²	126	133.8 Å²	133.8	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-67.8	144.5	-178.5	26.9	-33.8	0	0	0	112.5
23	S	38.8	Very low	33.2	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.3	144	178.7	50.5	0	0	0	0	113.1
24	G	33.3	Very low	32.8	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.2	164.2	-175.4	0	0	0	0	0	116
25	C	34.8	Very low	32.7	Very low	138 Å²	138	137.9 Å²	137.9	93%	0.932	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.6	129.9	-179.8	-52.2	0	0	0	0	112.4
26	P	33.1	Very low	32.8	Very low	109 Å²	109	139 Å²	139	71%	0.708	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-103.2	152.4	175.5	37.3	-31.8	0	0	0	114
27	M	28.7	Very low	32.8	Very low	148 Å²	148	137.7 Å²	137.7	73%	0.729	82%	0.82	S	S	*	*			trans	70.9	139.6	170	-52.5	-56.7	175.8	0	0	116.3
28	H	33.4	Very low	32.7	Very low	183 Å²	183	137 Å²	137	85%	0.847	82%	0.82	S	S	*	*			cis	-130.7	146.4	27	-86	-97.5	0	0	0	116
29	E	30.3	Very low	32.6	Very low	184 Å²	184	137.2 Å²	137.2	86%	0.86	82%	0.817	S	S	*	*			trans	-70.1	141.2	159.4	-59.6	174.6	116	0	0	111.1
30	G	33.2	Very low	32.7	Very low	78 Å²	78	140.8 Å²	140.8	80%	0.804	82%	0.817	S	S	*	*			trans	-150.5	112.9	178	0	0	0	0	0	111.9
31	K	29.9	Very low	32.6	Very low	210 Å²	210	141.9 Å²	141.9	91%	0.913	82%	0.822	S	S	*	*			trans	-62.3	142.8	-168.6	-69.6	171.1	176.3	172.4	0	114.7
32	M	31.6	Very low	32.1	Very low	187 Å²	187	141.7 Å²	141.7	92%	0.921	82%	0.823	S	S	*	*			trans	-57.9	139.9	161.1	-70.4	170.8	155.1	0	0	112.2
33	K	30.1	Very low	31.7	Very low	209 Å²	209	139.3 Å²	139.3	91%	0.909	82%	0.821	S	S	*	*			trans	-147.5	138.9	152.6	-79.2	-163.9	174	-174.8	0	109.6
34	E	23.8	Very low	31.8	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	82%	0.821	S	S	*	*			trans	-89.9	150.6	-177.9	-70.6	172.5	109.4	0	0	113.2
35	C	28.6	Very low	31.6	Very low	115 Å²	115	143 Å²	143	78%	0.777	82%	0.822	S	S	*	*			trans	56.8	144.8	136.1	-65.9	0	0	0	0	120.4
36	P	33.6	Very low	31.2	Very low	130 Å²	130	142.4 Å²	142.4	84%	0.844	82%	0.818	S	S	*	*				-144.9	175.3	57.1	39.1	-18.7	0	0	0	118.4
37	V	32.2	Very low	31.3	Very low	135 Å²	135	145.2 Å²	145.2	82%	0.818	82%	0.822	S	S	*	*			trans	-80.9	139.3	179.2	169.5	0	0	0	0	112.8
38	S	29.2	Very low	31.6	Very low	111 Å²	111	147.3 Å²	147.3	78%	0.776	83%	0.827	S	S	*	*			trans	-179.2	156.9	153.2	-78.5	0	0	0	0	110.1
39	T	29.5	Very low	31.6	Very low	125 Å²	125	147.7 Å²	147.7	77%	0.767	83%	0.826	S	S	*	*			cis	-164.5	152.5	-27.3	-73.7	0	0	0	0	106.7
40	E	32.8	Very low	31.5	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.804	83%	0.825	S	S	*	*			trans	-69.8	162.8	177.7	-64.9	-161.9	160.7	0	0	114.4
41	P	36.1	Very low	31.5	Very low	132 Å²	132	151.5 Å²	151.5	86%	0.857	83%	0.825	S	S	*	*				-134.6	167.3	118.2	38.4	-29.4	0	0	0	115.1
42	S	32.3	Very low	31.7	Very low	112 Å²	112	147.2 Å²	147.2	78%	0.783	82%	0.821	S	S	*	*			trans	-103.2	140.7	-154	56.3	0	0	0	0	118.1
43	G	30.2	Very low	31.8	Very low	76 Å²	76	142.8 Å²	142.8	78%	0.784	80%	0.804	S	S	*	*			trans	95.2	164.8	142.7	0	0	0	0	0	119.1
44	P	40.3	Very low	32	Very low	130 Å²	130	137.7 Å²	137.7	84%	0.844	79%	0.793	S	S	*	*			cis	-124.3	148.2	-7.1	38.8	-23.9	0	0	0	116.2
45	N	29.5	Very low	32.7	Very low	139 Å²	139	133 Å²	133	74%	0.743	79%	0.785	S	S	*	*			trans	13.5	120.1	156.1	-154.5	7.9	0	0	0	122
46	C	26.6	Very low	33.3	Very low	126 Å²	126	136.3 Å²	136.3	85%	0.851	79%	0.789	S	S	*	*			trans	-147.7	118.9	145.7	-169.6	0	0	0	0	110	K48	C46-K48 PolarHBondContact O-N 3.05Å
47	E	35.8	Very low	33.6	Very low	167 Å²	167	136.1 Å²	136.1	78%	0.78	78%	0.776	S	S	*	*			trans	-75.3	122.6	-171.6	-60.8	179.5	147.8	0	0	113.1
48	K	35.5	Very low	33.8	Very low	193 Å²	193	134.8 Å²	134.8	84%	0.839	76%	0.761	S	S	*	*			trans	-136.7	125.5	152.9	-73.9	-170	178.6	177.7	0	109.9	C46 T50	C46-K48 PolarHBondContact O-N 3.05Å; K48-T50 PolarHBondContact O-N 3.27Å; K48-T50 VanDerWaalsContact O-N 3.16Å
49	K	32.8	Very low	34.1	Very low	191 Å²	191	138.3 Å²	138.3	83%	0.83	76%	0.758	S	S	*	*			trans	-62.7	111.2	-178.2	-67.1	177.7	178.2	178	0	111
50	T	28.3	Very low	34.4	Very low	136 Å²	136	136 Å²	136	83%	0.834	75%	0.751	S	S	*	*			trans	-83.4	119	163.6	27.3	0	0	0	0	109.6	K48	K48-T50 PolarHBondContact O-N 3.27Å; K48-T50 VanDerWaalsContact O-N 3.16Å
51	Y	32.4	Very low	34.6	Very low	206 Å²	206	133.7 Å²	133.7	81%	0.808	74%	0.736	S	S	*	*			trans	-78.5	120.5	164.1	-70.7	-81.5	0	0	0	108.3	V53	Y51-V53 PolarHBondContact O-N 3.36Å
52	S	33.5	Very low	34.4	Very low	120 Å²	120	132.5 Å²	132.5	84%	0.839	72%	0.719	S	S	*	*			trans	-72.7	114	-179.1	43.4	0	0	0	0	111.4
53	V	35	Very low	34.6	Very low	93 Å²	93	137.3 Å²	137.3	56%	0.564	72%	0.721	S	S	*	*			trans	-87	142.3	170	-176.8	0	0	0	0	108.7	Y51 Q57	Y51-V53 PolarHBondContact O-N 3.36Å; V53-Q57 HydrophobicContact CG1-CB 3.83Å; V53-Q57 HydrophobicContact CG1-CG 4.17Å
54	P	34.1	Very low	35	Very low	102 Å²	102	139.2 Å²	139.2	66%	0.662	72%	0.717	S	S	*	*			trans	-60.3	137.3	-179	-26.2	35.6	0	0	0	113.8	H56 Q57	P54-H56 PolarHBondContact O-N 2.86Å; P54-Q57 PolarHBondContact O-N 3.35Å
55	A	39.5	Very low	34.5	Very low	82 Å²	82	141.1 Å²	141.1	68%	0.678	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-58.2	-13.3	-169.1	0	0	0	0	0	116.8	Q57 E58	A55-Q57 VanDerWaalsContact C-N 3.25Å; A55-Q57 PolarHBondContact O-N 3.29Å; A55-E58 WeakPolarHBondContact O-CB 3.47Å; A55-E58 WeakPolarHBondContact O-CG 3.41Å; A55-E58 PolarHBondContact O-N 3.5Å
56	H	40.1	Very low	35	Very low	185 Å²	185	138.6 Å²	138.6	86%	0.856	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-73.5	-17.7	172.8	-164.5	-61.5	0	0	0	112.5	P54 E58	P54-H56 PolarHBondContact O-N 2.86Å; H56-E58 VanDerWaalsContact C-N 3.29Å
57	Q	40.8	Very low	35.5	Very low	125 Å²	125	138.3 Å²	138.3	58%	0.584	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-79.4	-14.1	175.9	-157.4	123.1	-37	0	0	112.6	V53 P54 A55 R59 A60	V53-Q57 HydrophobicContact CG1-CB 3.83Å; V53-Q57 HydrophobicContact CG1-CG 4.17Å; P54-Q57 PolarHBondContact O-N 3.35Å; A55-Q57 VanDerWaalsContact C-N 3.25Å; A55-Q57 PolarHBondContact O-N 3.29Å; Q57-R59 PolarHBondContact O-N 3.16Å; Q57-A60 PolarHBondContact O-N 3.03Å
58	E	34.5	Very low	35.9	Very low	108 Å²	108	136.8 Å²	136.8	51%	0.505	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-59	-33.7	-174.4	-68.9	-96.8	166.8	0	0	112.8	A55 H56 A60 Y61	A55-E58 WeakPolarHBondContact O-CB 3.47Å; A55-E58 WeakPolarHBondContact O-CG 3.41Å; A55-E58 PolarHBondContact O-N 3.5Å; H56-E58 VanDerWaalsContact C-N 3.29Å; E58-A60 VanDerWaalsContact C-N 3.33Å; E58-A60 PolarHBondContact O-N 2.99Å; E58-Y61 VanDerWaalsContact CA-CZ 3.41Å; E58-Y61 WeakPolarHBondContact CA-OH 3.15Å; E58-Y61 WeakPolarHBondContact CG-OH 3.4Å; E58-Y61 WeakPolarHBondContact O-CD2 3.48Å; E58-Y61 WeakPolarHBondContact O-CE2 3.48Å; E58-Y61 VanDerWaalsContact O-CZ 3.3Å; E58-Y61 PolarHBondContact OE1-OH 3.24Å; E58-Y61 PolarHBondContact OE2-OH 2.95Å
59	R	35.5	Very low	36.3	Very low	185 Å²	185	139.4 Å²	139.4	70%	0.698	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-81.4	-8.5	-173.9	-137.2	173.8	-169.5	126.2	26.2	115.3	Q57 Y61 E62	Q57-R59 PolarHBondContact O-N 3.16Å; R59-Y61 VanDerWaalsContact C-N 3.28Å; R59-Y61 PolarHBondContact O-N 3.34Å; R59-E62 HydrophobicContact CG-CB 4.36Å; R59-E62 WeakPolarHBondContact CG-OE2 3.37Å; R59-E62 IonicContact CZ-OE2 2.95Å; R59-E62 IonicContact NE-OE2 3.5Å; R59-E62 PolarHBondContact NE-OE2 2.99Å; R59-E62 IonicContact NH2-OE1 2.7Å; R59-E62 PolarHBondContact NH2-OE1 3.4Å; R59-E62 IonicContact NH2-OE2 2.74Å; R59-E62 PolarHBondContact NH2-OE2 3.37Å
60	A	36	Very low	36.8	Very low	75 Å²	75	132.7 Å²	132.7	62%	0.62	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-74.3	-19.4	179.1	0	0	0	0	0	113	Q57 E58	Q57-A60 PolarHBondContact O-N 3.03Å; E58-A60 VanDerWaalsContact C-N 3.33Å; E58-A60 PolarHBondContact O-N 2.99Å
61	Y	38.7	Very low	37.4	Very low	124 Å²	124	133.9 Å²	133.9	49%	0.486	70%	0.697	S	S	.	*	S	Bend	trans	-105.1	-7.7	178.9	45.2	-102.7	0	0	0	114.9	E58 R59 Y63 V64	E58-Y61 VanDerWaalsContact CA-CZ 3.41Å; E58-Y61 WeakPolarHBondContact CA-OH 3.15Å; E58-Y61 WeakPolarHBondContact CG-OH 3.4Å; E58-Y61 WeakPolarHBondContact O-CD2 3.48Å; E58-Y61 WeakPolarHBondContact O-CE2 3.48Å; E58-Y61 VanDerWaalsContact O-CZ 3.3Å; E58-Y61 PolarHBondContact OE1-OH 3.24Å; E58-Y61 PolarHBondContact OE2-OH 2.95Å; R59-Y61 VanDerWaalsContact C-N 3.28Å; R59-Y61 PolarHBondContact O-N 3.34Å; Y61-Y63 PolarHBondContact O-N 2.66Å; Y61-V64 PolarHBondContact O-N 3.46Å
62	E	30.7	Very low	37.9	Very low	107 Å²	107	127.3 Å²	127.3	50%	0.5	69%	0.685	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.5	-15.8	170.3	-151.7	177.7	-147.3	0	0	111.9	R59	R59-E62 HydrophobicContact CG-CB 4.36Å; R59-E62 WeakPolarHBondContact CG-OE2 3.37Å; R59-E62 IonicContact CZ-OE2 2.95Å; R59-E62 IonicContact NE-OE2 3.5Å; R59-E62 PolarHBondContact NE-OE2 2.99Å; R59-E62 IonicContact NH2-OE1 2.7Å; R59-E62 PolarHBondContact NH2-OE1 3.4Å; R59-E62 IonicContact NH2-OE2 2.74Å; R59-E62 PolarHBondContact NH2-OE2 3.37Å
63	Y	37.4	Very low	38.3	Very low	214 Å²	214	126 Å²	126	84%	0.839	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	4	175.8	-111	-91.3	0	0	0	115.6	Y61	Y61-Y63 PolarHBondContact O-N 2.66Å
64	V	37.8	Very low	38.8	Very low	116 Å²	116	130.3 Å²	130.3	70%	0.703	70%	0.695	S	S	*	*	S	Bend	trans	-101	-9.5	176.6	-163.3	0	0	0	0	111.8	Y61 C66	Y61-V64 PolarHBondContact O-N 3.46Å; V64-C66 VanDerWaalsContact C-N 3.34Å; V64-C66 PolarHBondContact O-N 3.05Å
65	E	30.4	Very low	39.5	Very low	170 Å²	170	130 Å²	130	79%	0.794	69%	0.688	S	S	*	*			trans	-72.5	84	170.3	-70.2	-161.2	135.8	0	0	111.7
66	C	39.9	Very low	40	Very low	85 Å²	85	134.4 Å²	134.4	57%	0.574	69%	0.692	S	S	*	*			trans	-71.8	122.4	150.8	-82.6	0	0	0	0	108.3	V64 I68	V64-C66 VanDerWaalsContact C-N 3.34Å; V64-C66 PolarHBondContact O-N 3.05Å; C66-I68 PolarHBondContact O-N 2.86Å
67	P	36.7	Very low	40.8	Very low	121 Å²	121	134.5 Å²	134.5	79%	0.786	69%	0.693	S	S	*	*			trans	-71.6	99.5	-177.1	27.5	-33.7	0	0	0	110.8	R69	P67-R69 PolarHBondContact O-N 3.43Å
68	I	43.3	Very low	41.6	Very low	134 Å²	134	132.9 Å²	132.9	69%	0.687	69%	0.688	S	S	*	*			trans	-75.7	69	169.2	-50.4	-179.8	0	0	0	109	C66 A72	C66-I68 PolarHBondContact O-N 2.86Å; I68-A72 HydrophobicContact CG2-CB 4.4Å
69	R	44.6	Very low	42.9	Very low	249 Å²	249	130.9 Å²	130.9	94%	0.94	68%	0.68	S	S	*	*			trans	-131.6	67.1	166.4	-82	-168.6	171.5	-179.9	-0.8	109.8	P67	P67-R69 PolarHBondContact O-N 3.43Å
70	G	43.2	Very low	44.2	Very low	50 Å²	50	125 Å²	125	52%	0.515	66%	0.662	S	S	.	*	S	Bend	trans	164.3	118.2	175.3	0	0	0	0	0	110.7	A72	G70-A72 PolarHBondContact O-N 3.15Å
71	T	40.3	Very low	45.4	Very low	161 Å²	161	127.2 Å²	127.2	99%	0.988	67%	0.671	S	S	*	*	S	Bend	trans	52.7	41.4	158.3	67.2	0	0	0	0	118.5
72	A	44	Very low	46.4	Very low	68 Å²	68	124.4 Å²	124.4	56%	0.562	67%	0.669	S	S	*	*			trans	-141	20.2	171	0	0	0	0	0	114.4	I68 G70 E74	I68-A72 HydrophobicContact CG2-CB 4.4Å; G70-A72 PolarHBondContact O-N 3.15Å; A72-E74 VanDerWaalsContact C-N 3.34Å; A72-E74 PolarHBondContact O-N 3.35Å
73	A	42.8	Very low	47.9	Very low	92 Å²	92	123 Å²	123	76%	0.76	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-8.8	-174.6	0	0	0	0	0	114.9
74	E	43.9	Very low	49.2	Very low	184 Å²	184	118.8 Å²	118.8	86%	0.86	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-10.1	-167.2	-65	-174.9	155.9	0	0	115.3	A72	A72-E74 VanDerWaalsContact C-N 3.34Å; A72-E74 PolarHBondContact O-N 3.35Å
75	N	48.4	Very low	50.5	Low	94 Å²	94	119 Å²	119	50%	0.503	65%	0.652	S	S	.	*			trans	-134.4	60	-172	-89.8	-74.4	0	0	0	113.8	E77 N78	N75-E77 PolarHBondContact O-N 3.49Å; N75-N78 PolarHBondContact OD1-ND2 3.37Å; N75-N78 VanDerWaalsContact OD1-ND2 3.15Å
76	K	51.8	Low	52.2	Low	176 Å²	176	115 Å²	115	77%	0.765	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-65.5	-21.6	170.8	-72.5	-174	178.2	-179.9	0	113.7	N78	K76-N78 VanDerWaalsContact C-N 3.3Å; K76-N78 PolarHBondContact O-N 2.93Å
77	E	56.9	Low	53.7	Low	187 Å²	187	114.8 Å²	114.8	87%	0.874	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-74.5	-17.1	-178.3	-60.4	-173.5	165.7	0	0	113.8	N75	N75-E77 PolarHBondContact O-N 3.49Å
78	N	57.5	Low	55.4	Low	91 Å²	91	112.1 Å²	112.1	49%	0.487	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-102.2	5.1	-177.1	-76.9	-70.3	0	0	0	113.9	N75 K76 P87	N75-N78 PolarHBondContact OD1-ND2 3.37Å; N75-N78 VanDerWaalsContact OD1-ND2 3.15Å; K76-N78 VanDerWaalsContact C-N 3.3Å; K76-N78 PolarHBondContact O-N 2.93Å; N78-P87 HydrophobicContact CB-CG 4.42Å; N78-P87 WeakPolarHBondContact O-CD 3.41Å
79	L	61.8	Low	57.2	Low	66 Å²	66	110.1 Å²	110.1	35%	0.346	61%	0.611	S	S	.	*	S	Bend	trans	-84.6	131.4	175.9	-59.4	-179.9	0	0	0	110.3	P81 P86	L79-P81 WeakPolarHBondContact O-CD 3.3Å; L79-P86 HydrophobicContact CD2-CB 4.27Å
80	D	61.8	Low	59.2	Low	60 Å²	60	100.8 Å²	100.8	32%	0.321	58%	0.578	S	S	.	*			trans	-66.3	117.8	173.7	175.3	-13.4	0	0	0	109.4	S82 N83 L84 M85	D80-S82 PolarHBondContact O-N 3.07Å; D80-S82 VanDerWaalsContact O-N 3.09Å; D80-S82 WeakPolarHBondContact OD1-CB 3.49Å; D80-S82 PolarHBondContact OD1-N 3.49Å; D80-S82 PolarHBondContact OD1-OG 3.15Å; D80-S82 PolarHBondContact OD2-OG 3.49Å; D80-N83 WeakPolarHBondContact CB-OD1 3.33Å; D80-N83 VanDerWaalsContact CG-ND2 3.35Å; D80-N83 PolarHBondContact O-N 2.75Å; D80-N83 PolarHBondContact OD2-ND2 2.99Å; D80-L84 VanDerWaalsContact O-CA 3.26Å; D80-L84 WeakPolarHBondContact O-CA 3.38Å; D80-L84 PolarHBondContact O-N 2.81Å; D80-M85 PolarHBondContact N-O 2.86Å
81	P	62.5	Low	61.5	Low	123 Å²	123	102.5 Å²	102.5	80%	0.799	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-13.9	-175	28	-35.8	0	0	0	113.6	L79	L79-P81 WeakPolarHBondContact O-CD 3.3Å
82	S	59.1	Low	63.9	Low	65 Å²	65	98.7 Å²	98.7	46%	0.455	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-23.8	178	70.6	0	0	0	0	114	D80	D80-S82 PolarHBondContact O-N 3.07Å; D80-S82 VanDerWaalsContact O-N 3.09Å; D80-S82 WeakPolarHBondContact OD1-CB 3.49Å; D80-S82 PolarHBondContact OD1-N 3.49Å; D80-S82 PolarHBondContact OD1-OG 3.15Å; D80-S82 PolarHBondContact OD2-OG 3.49Å
83	N	62.6	Low	66	Low	77 Å²	77	96.4 Å²	96.4	41%	0.412	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	-1.2	-174.3	59	50.6	0	0	0	114.7	D80 M85	D80-N83 WeakPolarHBondContact CB-OD1 3.33Å; D80-N83 VanDerWaalsContact CG-ND2 3.35Å; D80-N83 PolarHBondContact O-N 2.75Å; D80-N83 PolarHBondContact OD2-ND2 2.99Å; N83-M85 HydrophobicContact CB-CG 4.41Å; N83-M85 PolarHBondContact O-N 3.38Å; N83-M85 VanDerWaalsContact O-N 3.09Å; N83-M85 WeakPolarHBondContact OD1-CB 3.31Å; N83-M85 WeakPolarHBondContact OD1-CG 3.47Å; N83-M85 PolarHBondContact OD1-N 2.91Å
84	L	64.4	Low	68.2	Low	126 Å²	126	98.2 Å²	98.2	66%	0.66	54%	0.542	S	S	*	.			trans	53.8	20.7	-177.5	-57.7	176.9	0	0	0	114.8	D80	D80-L84 VanDerWaalsContact O-CA 3.26Å; D80-L84 WeakPolarHBondContact O-CA 3.38Å; D80-L84 PolarHBondContact O-N 2.81Å
85	M	63.9	Low	70.1	Confident	121 Å²	121	96.7 Å²	96.7	60%	0.596	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-79.4	144.7	176.5	-66.4	-173.7	54.9	0	0	111.5	D80 N83	D80-M85 PolarHBondContact N-O 2.86Å; N83-M85 HydrophobicContact CB-CG 4.41Å; N83-M85 PolarHBondContact O-N 3.38Å; N83-M85 VanDerWaalsContact O-N 3.09Å; N83-M85 WeakPolarHBondContact OD1-CB 3.31Å; N83-M85 WeakPolarHBondContact OD1-CG 3.47Å; N83-M85 PolarHBondContact OD1-N 2.91Å
86	P	66.8	Low	72.1	Confident	85 Å²	85	93.4 Å²	93.4	55%	0.552	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-63.8	160.1	166.2	30	-35.5	0	0	0	110.9	L79	L79-P86 HydrophobicContact CD2-CB 4.27Å
87	P	71.3	Confident	73.8	Confident	81 Å²	81	88.4 Å²	88.4	53%	0.526	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-58.4	145	179.7	25.8	-33.6	0	0	0	110.3	N78 N89	N78-P87 HydrophobicContact CB-CG 4.42Å; N78-P87 WeakPolarHBondContact O-CD 3.41Å; P87-N89 PolarHBondContact O-N 3.3Å
88	P	72.1	Confident	75.4	Confident	65 Å²	65	81.5 Å²	81.5	42%	0.422	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-62.6	120.3	-169.7	24	-34.2	0	0	0	111.5	Q90 M125	P88-Q90 WeakPolarHBondContact O-CG 3.29Å; P88-Q90 PolarHBondContact O-N 3Å; P88-M125 HydrophobicContact CB-CE 3.49Å; P88-M125 VanDerWaalsContact CB-CE 3.49Å; P88-M125 HydrophobicContact CB-CG 4.12Å; P88-M125 HydrophobicContact CB-SD 3.66Å; P88-M125 HydrophobicContact CG-CE 4.45Å; P88-M125 HydrophobicContact CG-SD 4.35Å
89	N	81.8	Confident	77	Confident	92 Å²	92	82.6 Å²	82.6	49%	0.492	48%	0.484	S	S	.	.			trans	-68.2	109	179.5	-174.6	13	0	0	0	111.2	P87 T91 N128	P87-N89 PolarHBondContact O-N 3.3Å; N89-T91 PolarHBondContact OD1-N 3.19Å; N89-T91 PolarHBondContact OD1-OG1 3.46Å; N89-N128 PolarHBondContact O-ND2 3.38Å
90	Q	86.9	Confident	78.5	Confident	53 Å²	53	79.8 Å²	79.8	25%	0.248	47%	0.469	C	S	.	.			trans	-110.4	11.7	-179.6	-66.8	-108.5	42.6	0	0	112.3	P88 T102 S122 Q124 M125	P88-Q90 WeakPolarHBondContact O-CG 3.29Å; P88-Q90 PolarHBondContact O-N 3Å; Q90-T102 HydrophobicContact CB-CG2 4.31Å; Q90-T102 PolarHBondContact NE2-O 2.97Å; Q90-T102 VanDerWaalsContact OE1-CB 3.25Å; Q90-T102 PolarHBondContact OE1-O 3.1Å; Q90-S122 PolarHBondContact OE1-OG 2.68Å; Q90-Q124 WeakPolarHBondContact O-CG 3.01Å; Q90-M125 HydrophobicContact CG-CG 3.92Å; Q90-M125 HydrophobicContact CG-SD 4.43Å
91	T	90.8	Very high	80	Confident	86 Å²	86	79 Å²	79	53%	0.528	47%	0.468	S	S	.	.	S	Bend	trans	-79.4	140.3	172.5	66.1	0	0	0	0	110.3	N89 N128	N89-T91 PolarHBondContact OD1-N 3.19Å; N89-T91 PolarHBondContact OD1-OG1 3.46Å; T91-N128 PolarHBondContact O-ND2 2.78Å
92	P	91.8	Very high	81.5	Confident	80 Å²	80	76.8 Å²	76.8	52%	0.519	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-55.4	147.7	167.9	-25.9	35.8	0	0	0	112.3
93	A	88.1	Confident	83	Confident	20 Å²	20	78.9 Å²	78.9	17%	0.165	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-74.1	153	171.3	0	0	0	0	0	110.6	D95 Q96 L131	A93-D95 VanDerWaalsContact C-N 3.3Å; A93-D95 PolarHBondContact O-N 3.46Å; A93-Q96 HydrophobicContact CB-CB 4.24Å; A93-Q96 VanDerWaalsContact O-CB 3.23Å; A93-Q96 WeakPolarHBondContact O-CB 3.35Å; A93-Q96 PolarHBondContact O-N 3.39Å; A93-Q96 VanDerWaalsContact O-N 3.14Å; A93-L131 HydrophobicContact CB-CD1 3.51Å
94	P	87.7	Confident	84.4	Confident	130 Å²	130	80.1 Å²	80.1	84%	0.844	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.9	-176.4	-28.2	36	0	0	0	114.3
95	D	85.1	Confident	85.7	Confident	152 Å²	152	79.2 Å²	79.2	81%	0.813	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	30.7	-177.9	-48.9	-55.6	0	0	0	112.1	A93 P97	A93-D95 VanDerWaalsContact C-N 3.3Å; A93-D95 PolarHBondContact O-N 3.46Å; D95-P97 WeakPolarHBondContact O-CD 3.47Å
96	Q	89.4	Confident	87.1	Confident	26 Å²	26	79 Å²	79	12%	0.121	45%	0.451	C	S	.	.			trans	-81	119.5	-178.5	-171.8	175.2	-47.5	0	0	111.2	A93 F98 W127	A93-Q96 HydrophobicContact CB-CB 4.24Å; A93-Q96 VanDerWaalsContact O-CB 3.23Å; A93-Q96 WeakPolarHBondContact O-CB 3.35Å; A93-Q96 PolarHBondContact O-N 3.39Å; A93-Q96 VanDerWaalsContact O-N 3.14Å; Q96-F98 VanDerWaalsContact C-N 3.34Å; Q96-F98 WeakPolarHBondContact CG-O 3.48Å; Q96-F98 PolarHBondContact NE2-O 3.24Å; Q96-F98 PolarHBondContact O-N 2.84Å; Q96-W127 HydrophobicContact CG-CD2 4.5Å; Q96-W127 HydrophobicContact CG-CZ2 3.93Å
97	P	88.4	Confident	88.5	Confident	71 Å²	71	75.1 Å²	75.1	46%	0.461	43%	0.426	S	S	.	.	S	Bend	trans	-74.6	-18.5	-168.9	27.4	-34.8	0	0	0	114.8	D95 W127	D95-P97 WeakPolarHBondContact O-CD 3.47Å; P97-W127 HydrophobicContact CG-CH2 4.23Å
98	F	89.9	Confident	89.6	Confident	42 Å²	42	74 Å²	74	18%	0.184	42%	0.42	C	S	.	.	S	Bend	trans	-148.9	156.2	179.5	45.4	-103.5	0	0	0	112.4	Q96 L100 W127 I142 Q144	Q96-F98 VanDerWaalsContact C-N 3.34Å; Q96-F98 WeakPolarHBondContact CG-O 3.48Å; Q96-F98 PolarHBondContact NE2-O 3.24Å; Q96-F98 PolarHBondContact O-N 2.84Å; F98-L100 HydrophobicContact CD2-CD2 3.85Å; F98-L100 HydrophobicContact CD2-CG 4.17Å; F98-L100 HydrophobicContact CE2-CD2 3.65Å; F98-L100 HydrophobicContact CE2-CG 4.16Å; F98-W127 HydrophobicContact CE2-CZ3 4.25Å; F98-W127 HydrophobicContact CZ-CH2 4.45Å; F98-W127 HydrophobicContact CZ-CZ3 4.02Å; F98-I142 WeakPolarHBondContact CE1-O 3.38Å; F98-I142 HydrophobicContact CZ-CG2 4.32Å; F98-Q144 HydrophobicContact CB-CB 4.43Å; F98-Q144 HydrophobicContact CD1-CB 4.46Å; F98-Q144 HydrophobicContact CD2-CB 3.66Å; F98-Q144 HydrophobicContact CD2-CG 3.95Å; F98-Q144 HydrophobicContact CE2-CB 4Å; F98-Q144 HydrophobicContact CE2-CG 4.44Å; F98-Q144 HydrophobicContact CG-CB 3.93Å
99	V	91.6	Very high	90.8	Very high	114 Å²	114	71 Å²	71	69%	0.691	40%	0.401	S	S	*	.			trans	-70	136.9	176.8	-176.9	0	0	0	0	109.9	Q144	V99-Q144 PolarHBondContact O-NE2 2.94Å
100	L	93.5	Very high	91.4	Very high	7 Å²	7	68.9 Å²	68.9	4%	0.037	39%	0.391	C	S	.	.			trans	-113.9	150.3	176.6	-73.8	178.7	0	0	0	111.2	F98 T102 E123 Q124 W127 Q144 M147	F98-L100 HydrophobicContact CD2-CD2 3.85Å; F98-L100 HydrophobicContact CD2-CG 4.17Å; F98-L100 HydrophobicContact CE2-CD2 3.65Å; F98-L100 HydrophobicContact CE2-CG 4.16Å; L100-T102 PolarHBondContact O-N 3.3Å; L100-E123 HydrophobicContact CB-CB 3.91Å; L100-E123 HydrophobicContact CD1-CB 4.48Å; L100-E123 HydrophobicContact CD2-CB 4Å; L100-E123 HydrophobicContact CG-CB 4.36Å; L100-Q124 HydrophobicContact CB-CB 4.19Å; L100-W127 HydrophobicContact CD1-CB 3.48Å; L100-W127 VanDerWaalsContact CD1-CB 3.48Å; L100-W127 HydrophobicContact CD1-CD2 3.84Å; L100-W127 HydrophobicContact CD1-CE3 3.8Å; L100-W127 HydrophobicContact CD1-CG 3.73Å; L100-Q144 HydrophobicContact CD2-CG 4.37Å; L100-M147 HydrophobicContact CD1-CG 4.31Å; L100-M147 HydrophobicContact CD2-CB 4Å; L100-M147 HydrophobicContact CD2-CG 3.7Å
101	S	93	Very high	91.8	Very high	44 Å²	44	69 Å²	69	31%	0.308	39%	0.39	S	S	.	.			trans	-63.9	132.1	175.3	-173.9	0	0	0	0	111	V103 S122 E123 Q124	S101-V103 WeakPolarHBondContact OG-CB 3.35Å; S101-V103 PolarHBondContact OG-N 2.95Å; S101-S122 WeakPolarHBondContact O-CB 3.43Å; S101-E123 VanDerWaalsContact CB-CD 3.47Å; S101-E123 VanDerWaalsContact CB-OE2 3.26Å; S101-E123 WeakPolarHBondContact CB-OE2 3.5Å; S101-E123 PolarHBondContact N-OE2 3.23Å; S101-E123 WeakPolarHBondContact O-CB 3.4Å; S101-E123 PolarHBondContact O-N 2.76Å; S101-E123 VanDerWaalsContact O-N 3.15Å; S101-Q124 PolarHBondContact O-N 3.3Å
102	T	92.3	Very high	91.8	Very high	75 Å²	75	66.7 Å²	66.7	46%	0.46	38%	0.379	S	S	.	.			trans	-93.7	-6.6	170.4	55.4	0	0	0	0	112.6	Q90 L100 S122 Q124	Q90-T102 HydrophobicContact CB-CG2 4.31Å; Q90-T102 PolarHBondContact NE2-O 2.97Å; Q90-T102 VanDerWaalsContact OE1-CB 3.25Å; Q90-T102 PolarHBondContact OE1-O 3.1Å; L100-T102 PolarHBondContact O-N 3.3Å; T102-S122 VanDerWaalsContact C-CB 3.47Å; T102-S122 WeakPolarHBondContact O-CB 3.47Å; T102-Q124 HydrophobicContact CG2-CB 4.08Å; T102-Q124 HydrophobicContact CG2-CG 4.41Å
103	V	91.3	Very high	91.4	Very high	110 Å²	110	67.5 Å²	67.5	67%	0.667	38%	0.379	S	S	*	.			trans	-67.7	138.3	178.2	-176	0	0	0	0	109.6	S101 S122	S101-V103 WeakPolarHBondContact OG-CB 3.35Å; S101-V103 PolarHBondContact OG-N 2.95Å; V103-S122 WeakPolarHBondContact O-CA 3.26Å; V103-S122 WeakPolarHBondContact O-CB 3.4Å
104	R	91.9	Very high	91.4	Very high	103 Å²	103	68.6 Å²	68.6	39%	0.389	39%	0.386	S	S	.	.			trans	-110.3	146.4	176.7	-64.1	-179.7	67.9	-178.9	-1.9	110.1	V119 Y120 M125	R104-V119 HydrophobicContact CB-CG1 3.68Å; R104-V119 PolarHBondContact NH2-O 2.75Å; R104-Y120 WeakPolarHBondContact CB-O 3.47Å; R104-Y120 PolarHBondContact NE-O 3.43Å; R104-M125 HydrophobicContact CG-SD 4.17Å
105	E	91.5	Very high	91.4	Very high	106 Å²	106	72.4 Å²	72.4	50%	0.495	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-99.5	135.5	178.6	-174	175.1	-165.6	0	0	110.5	V119 Y120 N155	E105-V119 CarbonylContact O-C 3.57Å; E105-V119 WeakPolarHBondContact O-CA 3.3Å; E105-V119 WeakPolarHBondContact O-CG1 3.2Å; E105-Y120 HydrophobicContact CB-CD2 4.37Å; E105-Y120 HydrophobicContact CG-CD2 4.47Å; E105-Y120 PolarHBondContact O-N 3.28Å; E105-N155 PolarHBondContact OE2-ND2 2.99Å
106	E	94.1	Very high	91.8	Very high	116 Å²	116	72.5 Å²	72.5	54%	0.542	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.3	171.6	-168.8	-172.2	141.4	0	0	109.4	K117 V119	E106-K117 HydrophobicContact CG-CB 3.91Å; E106-K117 HydrophobicContact CG-CD 4.46Å; E106-K117 VanDerWaalsContact OE1-CD 3.29Å; E106-K117 WeakPolarHBondContact OE1-CD 3.41Å; E106-K117 WeakPolarHBondContact OE1-CE 3.46Å; E106-K117 WeakPolarHBondContact OE1-CG 3.43Å; E106-K117 IonicContact OE1-NZ 2.78Å; E106-K117 PolarHBondContact OE1-NZ 3.05Å; E106-V119 HydrophobicContact CG-CG2 4.5Å
107	S	95.3	Very high	92	Very high	4 Å²	4	75.5 Å²	75.5	3%	0.028	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	173.6	177.1	70.7	0	0	0	0	112.3	I109 K117 W118 Y120 E159	S107-I109 VanDerWaalsContact C-N 3.26Å; S107-I109 PolarHBondContact OG-N 3.15Å; S107-I109 VanDerWaalsContact OG-N 3.09Å; S107-I109 PolarHBondContact OG-O 2.85Å; S107-K117 WeakPolarHBondContact O-CD 3.41Å; S107-W118 VanDerWaalsContact CB-O 3.3Å; S107-W118 WeakPolarHBondContact CB-O 3.34Å; S107-W118 PolarHBondContact N-O 2.81Å; S107-W118 WeakPolarHBondContact OG-CB 2.98Å; S107-W118 PolarHBondContact OG-N 3.18Å; S107-W118 PolarHBondContact OG-O 3.46Å; S107-Y120 VanDerWaalsContact CB-CE2 3.41Å; S107-Y120 VanDerWaalsContact CB-CZ 3.43Å; S107-Y120 WeakPolarHBondContact CB-OH 3.3Å; S107-E159 VanDerWaalsContact CA-OE1 3.25Å; S107-E159 WeakPolarHBondContact CA-OE1 3.25Å; S107-E159 VanDerWaalsContact CB-OE1 3.26Å; S107-E159 WeakPolarHBondContact CB-OE1 3.28Å
108	S	95.8	Very high	92.2	Very high	58 Å²	58	74.8 Å²	74.8	41%	0.406	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-4.1	163.7	80.1	0	0	0	0	113.6	P110 E159	S108-P110 WeakPolarHBondContact O-CD 3.48Å; S108-E159 VanDerWaalsContact CB-OE2 3.24Å; S108-E159 WeakPolarHBondContact CB-OE2 3.43Å; S108-E159 PolarHBondContact N-OE1 2.84Å; S108-E159 PolarHBondContact OG-OE2 2.99Å
109	I	96.1	Very high	92.3	Very high	3 Å²	3	75.6 Å²	75.6	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.1	-166.8	-46.2	177.4	0	0	0	110.5	S107 K117 W118 W162 L182 W213	S107-I109 VanDerWaalsContact C-N 3.26Å; S107-I109 PolarHBondContact OG-N 3.15Å; S107-I109 VanDerWaalsContact OG-N 3.09Å; S107-I109 PolarHBondContact OG-O 2.85Å; I109-K117 CarbonylContact O-C 3.51Å; I109-K117 WeakPolarHBondContact O-CA 3.41Å; I109-K117 WeakPolarHBondContact O-CB 3.34Å; I109-W118 HydrophobicContact CB-CB 4.49Å; I109-W118 PolarHBondContact O-N 3.5Å; I109-W162 HydrophobicContact CB-CD2 4.46Å; I109-W162 HydrophobicContact CB-CG 4.43Å; I109-W162 HydrophobicContact CD1-CB 3.99Å; I109-W162 HydrophobicContact CD1-CG 4.26Å; I109-W162 HydrophobicContact CG1-CB 3.91Å; I109-W162 HydrophobicContact CG1-CD2 4.19Å; I109-W162 HydrophobicContact CG1-CG 3.7Å; I109-W162 HydrophobicContact CG2-CD2 3.88Å; I109-W162 HydrophobicContact CG2-CE3 4.04Å; I109-W162 HydrophobicContact CG2-CG 4.31Å; I109-W162 HydrophobicContact CG2-CZ2 4.36Å; I109-W162 HydrophobicContact CG2-CZ3 4.36Å; I109-L182 HydrophobicContact CG2-CB 3.6Å; I109-L182 HydrophobicContact CG2-CD2 3.82Å; I109-L182 HydrophobicContact CG2-CG 4.36Å; I109-W213 HydrophobicContact CD1-CH2 3.75Å; I109-W213 HydrophobicContact CD1-CZ3 3.92Å
110	P	95.9	Very high	92.3	Very high	46 Å²	46	71 Å²	71	30%	0.299	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	141.5	176.5	27.1	-30.9	0	0	0	111.7	S108 W162 P180 L182	S108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-W162 HydrophobicContact CG-CZ2 4.09Å; P110-P180 WeakPolarHBondContact CG-O 3.39Å; P110-L182 PolarHBondContact O-N 3.01Å
111	R	93.7	Very high	92.2	Very high	57 Å²	57	73.2 Å²	73.2	22%	0.215	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-77.5	151	169.8	-64.4	172.7	64	139.2	1.5	110	D113 K116 W118	R111-D113 VanDerWaalsContact CB-OD1 3.28Å; R111-D113 WeakPolarHBondContact CB-OD1 3.5Å; R111-D113 IonicContact CZ-OD1 2.77Å; R111-D113 IonicContact CZ-OD2 3.46Å; R111-D113 IonicContact NE-OD1 2.82Å; R111-D113 PolarHBondContact NE-OD1 3.38Å; R111-D113 IonicContact NE-OD2 3.52Å; R111-D113 IonicContact NH2-OD1 3.52Å; R111-D113 IonicContact NH2-OD2 3.1Å; R111-D113 PolarHBondContact NH2-OD2 2.93Å; R111-K116 VanDerWaalsContact CB-O 3.29Å; R111-K116 WeakPolarHBondContact CB-O 3.3Å; R111-K116 WeakPolarHBondContact CG-O 3.5Å; R111-K116 PolarHBondContact N-O 3.45Å; R111-W118 HydrophobicContact CG-CD2 4.06Å; R111-W118 HydrophobicContact CG-CG 3.95Å; R111-W118 HydrophobicContact CG-CZ2 4.49Å
112	A	90.9	Very high	92.2	Very high	36 Å²	36	71.2 Å²	71.2	30%	0.298	37%	0.365	S	S	.	.	S	Bend	trans	-82.9	-15.5	176	0	0	0	0	0	114.2	S181 L182 I183 N216	A112-S181 WeakPolarHBondContact CA-OG 3.43Å; A112-L182 PolarHBondContact N-O 3.24Å; A112-L182 VanDerWaalsContact N-O 3.14Å; A112-I183 HydrophobicContact CB-CB 4.22Å; A112-I183 HydrophobicContact CB-CG1 3.49Å; A112-I183 VanDerWaalsContact CB-CG1 3.49Å; A112-N216 HydrophobicContact CB-CB 3.82Å
113	D	84.9	Confident	92.3	Very high	97 Å²	97	68.6 Å²	68.6	52%	0.519	35%	0.348	S	S	.	.	S	Bend	trans	-98.6	-7.2	-174.5	65.8	-2.6	0	0	0	114.3	R111	R111-D113 VanDerWaalsContact CB-OD1 3.28Å; R111-D113 WeakPolarHBondContact CB-OD1 3.5Å; R111-D113 IonicContact CZ-OD1 2.77Å; R111-D113 IonicContact CZ-OD2 3.46Å; R111-D113 IonicContact NE-OD1 2.82Å; R111-D113 PolarHBondContact NE-OD1 3.38Å; R111-D113 IonicContact NE-OD2 3.52Å; R111-D113 IonicContact NH2-OD1 3.52Å; R111-D113 IonicContact NH2-OD2 3.1Å; R111-D113 PolarHBondContact NH2-OD2 2.93Å
114	S	86.9	Confident	92.4	Very high	44 Å²	44	63.4 Å²	63.4	31%	0.308	32%	0.317	S	S	.	.	S	Bend	trans	-164.1	158.4	-171.2	54.1	0	0	0	0	111.1	K116	S114-K116 PolarHBondContact O-N 3.03Å
115	E	87.9	Confident	92.4	Very high	210 Å²	210	60 Å²	60	98%	0.981	31%	0.306	S	S	*	.	S	Bend	trans	-69.7	9.6	173.7	-59	-179.1	168.3	0	0	113.5
116	K	92.4	Very high	92.3	Very high	153 Å²	153	57 Å²	57	67%	0.665	29%	0.291	S	S	*	.	S	Bend	trans	-95.5	156	-178.9	-63.8	-179.7	-178.7	177.1	0	110.5	R111 S114	R111-K116 VanDerWaalsContact CB-O 3.29Å; R111-K116 WeakPolarHBondContact CB-O 3.3Å; R111-K116 WeakPolarHBondContact CG-O 3.5Å; R111-K116 PolarHBondContact N-O 3.45Å; S114-K116 PolarHBondContact O-N 3.03Å
117	K	94.1	Very high	92.2	Very high	89 Å²	89	51.7 Å²	51.7	39%	0.387	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	164.9	171.9	-56.1	-171.2	-155	115.8	0	111.7	E106 S107 I109	E106-K117 HydrophobicContact CG-CB 3.91Å; E106-K117 HydrophobicContact CG-CD 4.46Å; E106-K117 VanDerWaalsContact OE1-CD 3.29Å; E106-K117 WeakPolarHBondContact OE1-CD 3.41Å; E106-K117 WeakPolarHBondContact OE1-CE 3.46Å; E106-K117 WeakPolarHBondContact OE1-CG 3.43Å; E106-K117 IonicContact OE1-NZ 2.78Å; E106-K117 PolarHBondContact OE1-NZ 3.05Å; S107-K117 WeakPolarHBondContact O-CD 3.41Å; I109-K117 CarbonylContact O-C 3.51Å; I109-K117 WeakPolarHBondContact O-CA 3.41Å; I109-K117 WeakPolarHBondContact O-CB 3.34Å
118	W	92.8	Very high	91.9	Very high	56 Å²	56	52.6 Å²	52.6	21%	0.212	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	147.3	168.6	-74.3	89.2	0	0	0	110	S107 I109 R111 L182 I183 F185	S107-W118 VanDerWaalsContact CB-O 3.3Å; S107-W118 WeakPolarHBondContact CB-O 3.34Å; S107-W118 PolarHBondContact N-O 2.81Å; S107-W118 WeakPolarHBondContact OG-CB 2.98Å; S107-W118 PolarHBondContact OG-N 3.18Å; S107-W118 PolarHBondContact OG-O 3.46Å; I109-W118 HydrophobicContact CB-CB 4.49Å; I109-W118 PolarHBondContact O-N 3.5Å; R111-W118 HydrophobicContact CG-CD2 4.06Å; R111-W118 HydrophobicContact CG-CG 3.95Å; R111-W118 HydrophobicContact CG-CZ2 4.49Å; W118-L182 HydrophobicContact CD2-CD2 4.45Å; W118-L182 HydrophobicContact CG-CD2 4.35Å; W118-L182 HydrophobicContact CZ2-CG 4.46Å; W118-L182 PolarHBondContact NE1-O 3.04Å; W118-I183 WeakPolarHBondContact CZ2-O 3.44Å; W118-F185 AromaticContact CE3-CE1 3.93Å; W118-F185 HydrophobicContact CE3-CE1 3.93Å; W118-F185 HydrophobicContact CH2-CE1 4.28Å; W118-F185 HydrophobicContact CZ3-CD1 4.47Å; W118-F185 AromaticContact CZ3-CE1 3.76Å; W118-F185 HydrophobicContact CZ3-CE1 3.76Å
119	V	92.4	Very high	91.6	Very high	60 Å²	60	52 Å²	52	36%	0.364	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	120.2	-177.4	-179.8	0	0	0	0	108.3	R104 E105 E106	R104-V119 HydrophobicContact CB-CG1 3.68Å; R104-V119 PolarHBondContact NH2-O 2.75Å; E105-V119 CarbonylContact O-C 3.57Å; E105-V119 WeakPolarHBondContact O-CA 3.3Å; E105-V119 WeakPolarHBondContact O-CG1 3.2Å; E106-V119 HydrophobicContact CG-CG2 4.5Å
120	Y	92.5	Very high	91.2	Very high	17 Å²	17	53.5 Å²	53.5	7%	0.067	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66.2	155.7	-177.5	-65	-53.8	0	0	0	111.8	R104 E105 S107 N155 N158 E159	R104-Y120 WeakPolarHBondContact CB-O 3.47Å; R104-Y120 PolarHBondContact NE-O 3.43Å; E105-Y120 HydrophobicContact CB-CD2 4.37Å; E105-Y120 HydrophobicContact CG-CD2 4.47Å; E105-Y120 PolarHBondContact O-N 3.28Å; S107-Y120 VanDerWaalsContact CB-CE2 3.41Å; S107-Y120 VanDerWaalsContact CB-CZ 3.43Å; S107-Y120 WeakPolarHBondContact CB-OH 3.3Å; Y120-N155 WeakPolarHBondContact CB-OD1 3.46Å; Y120-N155 HydrophobicContact CD2-CB 3.76Å; Y120-N155 VanDerWaalsContact CD2-CG 3.43Å; Y120-N155 HydrophobicContact CE2-CB 3.86Å; Y120-N155 HydrophobicContact CG-CB 4.23Å; Y120-N155 VanDerWaalsContact CG-OD1 3.3Å; Y120-N158 HydrophobicContact CE1-CB 3.81Å; Y120-N158 WeakPolarHBondContact OH-CB 3.29Å; Y120-E159 HydrophobicContact CE2-CG 4.49Å; Y120-E159 PolarHBondContact OH-OE1 3.31Å
121	P	90.6	Very high	90.9	Very high	53 Å²	53	54.4 Å²	54.4	34%	0.344	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-65.5	150.5	172.1	29.2	-35.2	0	0	0	110.7	M125	P121-M125 HydrophobicContact CB-CB 3.96Å; P121-M125 HydrophobicContact CB-CE 4.02Å
122	S	92.9	Very high	90.6	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.014	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-75.4	171.4	168	66.9	0	0	0	0	111.1	Q90 S101 T102 V103 Q124 M125 F126	Q90-S122 PolarHBondContact OE1-OG 2.68Å; S101-S122 WeakPolarHBondContact O-CB 3.43Å; T102-S122 VanDerWaalsContact C-CB 3.47Å; T102-S122 WeakPolarHBondContact O-CB 3.47Å; V103-S122 WeakPolarHBondContact O-CA 3.26Å; V103-S122 WeakPolarHBondContact O-CB 3.4Å; S122-Q124 VanDerWaalsContact C-N 3.34Å; S122-Q124 PolarHBondContact O-N 2.69Å; S122-M125 PolarHBondContact O-N 3.4Å; S122-M125 WeakPolarHBondContact OG-CB 3.31Å; S122-M125 VanDerWaalsContact OG-CG 3.23Å; S122-M125 WeakPolarHBondContact OG-CG 3.08Å; S122-M125 PolarHBondContact OG-N 2.95Å; S122-M125 VanDerWaalsContact OG-N 3.09Å; S122-F126 PolarHBondContact O-N 3.05Å
123	E	93.4	Very high	90.2	Very high	21 Å²	21	66 Å²	66	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-59.6	-45	174.1	-54.7	173.5	174.7	0	0	112.1	L100 S101 M125 F126 W127 M147 Y148 I151	L100-E123 HydrophobicContact CB-CB 3.91Å; L100-E123 HydrophobicContact CD1-CB 4.48Å; L100-E123 HydrophobicContact CD2-CB 4Å; L100-E123 HydrophobicContact CG-CB 4.36Å; S101-E123 VanDerWaalsContact CB-CD 3.47Å; S101-E123 VanDerWaalsContact CB-OE2 3.26Å; S101-E123 WeakPolarHBondContact CB-OE2 3.5Å; S101-E123 PolarHBondContact N-OE2 3.23Å; S101-E123 WeakPolarHBondContact O-CB 3.4Å; S101-E123 PolarHBondContact O-N 2.76Å; S101-E123 VanDerWaalsContact O-N 3.15Å; E123-M125 VanDerWaalsContact C-N 3.34Å; E123-M125 PolarHBondContact O-N 3.14Å; E123-F126 PolarHBondContact O-N 3.23Å; E123-W127 WeakPolarHBondContact O-CB 3.07Å; E123-W127 PolarHBondContact O-N 2.86Å; E123-M147 HydrophobicContact CB-CG 4.16Å; E123-Y148 WeakPolarHBondContact OE1-CB 3.49Å; E123-Y148 WeakPolarHBondContact OE1-CD2 3.48Å; E123-I151 HydrophobicContact CB-CD1 3.83Å; E123-I151 HydrophobicContact CG-CD1 3.68Å
124	Q	93.8	Very high	90.3	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-38.1	177.5	-168.6	58.3	73.6	0	0	112.4	Q90 L100 S101 T102 S122 N128	Q90-Q124 WeakPolarHBondContact O-CG 3.01Å; L100-Q124 HydrophobicContact CB-CB 4.19Å; S101-Q124 PolarHBondContact O-N 3.3Å; T102-Q124 HydrophobicContact CG2-CB 4.08Å; T102-Q124 HydrophobicContact CG2-CG 4.41Å; S122-Q124 VanDerWaalsContact C-N 3.34Å; S122-Q124 PolarHBondContact O-N 2.69Å; Q124-N128 PolarHBondContact NE2-OD1 3.26Å; Q124-N128 WeakPolarHBondContact O-CB 3.37Å; Q124-N128 PolarHBondContact O-N 3.05Å; Q124-N128 PolarHBondContact O-ND2 3.23Å
125	M	91.9	Very high	90.3	Very high	32 Å²	32	68.1 Å²	68.1	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-42.5	174.4	-75.3	174.5	61.6	0	0	112	P88 Q90 R104 P121 S122 E123 A129	P88-M125 HydrophobicContact CB-CE 3.49Å; P88-M125 VanDerWaalsContact CB-CE 3.49Å; P88-M125 HydrophobicContact CB-CG 4.12Å; P88-M125 HydrophobicContact CB-SD 3.66Å; P88-M125 HydrophobicContact CG-CE 4.45Å; P88-M125 HydrophobicContact CG-SD 4.35Å; Q90-M125 HydrophobicContact CG-CG 3.92Å; Q90-M125 HydrophobicContact CG-SD 4.43Å; R104-M125 HydrophobicContact CG-SD 4.17Å; P121-M125 HydrophobicContact CB-CB 3.96Å; P121-M125 HydrophobicContact CB-CE 4.02Å; S122-M125 PolarHBondContact O-N 3.4Å; S122-M125 WeakPolarHBondContact OG-CB 3.31Å; S122-M125 VanDerWaalsContact OG-CG 3.23Å; S122-M125 WeakPolarHBondContact OG-CG 3.08Å; S122-M125 PolarHBondContact OG-N 2.95Å; S122-M125 VanDerWaalsContact OG-N 3.09Å; E123-M125 VanDerWaalsContact C-N 3.34Å; E123-M125 PolarHBondContact O-N 3.14Å; M125-A129 VanDerWaalsContact O-CB 3.26Å; M125-A129 WeakPolarHBondContact O-CB 3.33Å; M125-A129 PolarHBondContact O-N 3.23Å
126	F	90.7	Very high	90.2	Very high	42 Å²	42	66.6 Å²	66.6	18%	0.184	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-47.3	178.4	-178.5	-88.9	0	0	0	111.2	S122 E123 N128 A129 M130 M147 I150 I151	S122-F126 PolarHBondContact O-N 3.05Å; E123-F126 PolarHBondContact O-N 3.23Å; F126-N128 PolarHBondContact O-N 3.42Å; F126-A129 PolarHBondContact O-N 3.06Å; F126-M130 HydrophobicContact CD1-CG 4.05Å; F126-M130 HydrophobicContact CE1-CG 3.68Å; F126-M130 HydrophobicContact CZ-CG 3.94Å; F126-M130 HydrophobicContact CZ-SD 4.23Å; F126-M130 WeakPolarHBondContact O-CG 3.28Å; F126-M130 PolarHBondContact O-N 3.24Å; F126-M147 HydrophobicContact CD1-CE 3.95Å; F126-M147 HydrophobicContact CD1-SD 3.51Å; F126-M147 VanDerWaalsContact CD1-SD 3.51Å; F126-M147 HydrophobicContact CE1-CE 4.1Å; F126-M147 HydrophobicContact CE1-SD 3.94Å; F126-M147 HydrophobicContact CG-SD 4.47Å; F126-I150 HydrophobicContact CE1-CG2 4.34Å; F126-I150 HydrophobicContact CZ-CG2 4.22Å; F126-I151 HydrophobicContact CB-CD1 3.83Å; F126-I151 HydrophobicContact CB-CG1 4.25Å; F126-I151 HydrophobicContact CD1-CD1 4.32Å; F126-I151 HydrophobicContact CD1-CG1 4.45Å; F126-I151 HydrophobicContact CD2-CG1 4.4Å; F126-I151 HydrophobicContact CG-CD1 4.1Å; F126-I151 HydrophobicContact CG-CG1 4.12Å
127	W	90.6	Very high	89.8	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.019	30%	0.302	C	S	.	.	H	α-helix	trans	-54.8	-50.9	175.5	-178.5	-86	0	0	0	111.9	Q96 P97 F98 L100 E123 A129 M130 L131 W137 I142 M147	Q96-W127 HydrophobicContact CG-CD2 4.5Å; Q96-W127 HydrophobicContact CG-CZ2 3.93Å; P97-W127 HydrophobicContact CG-CH2 4.23Å; F98-W127 HydrophobicContact CE2-CZ3 4.25Å; F98-W127 HydrophobicContact CZ-CH2 4.45Å; F98-W127 HydrophobicContact CZ-CZ3 4.02Å; L100-W127 HydrophobicContact CD1-CB 3.48Å; L100-W127 VanDerWaalsContact CD1-CB 3.48Å; L100-W127 HydrophobicContact CD1-CD2 3.84Å; L100-W127 HydrophobicContact CD1-CE3 3.8Å; L100-W127 HydrophobicContact CD1-CG 3.73Å; E123-W127 WeakPolarHBondContact O-CB 3.07Å; E123-W127 PolarHBondContact O-N 2.86Å; W127-A129 VanDerWaalsContact C-N 3.34Å; W127-A129 PolarHBondContact O-N 2.76Å; W127-M130 PolarHBondContact O-N 3.21Å; W127-L131 PolarHBondContact O-N 3.44Å; W127-W137 AromaticContact CD2-CD1 3.79Å; W127-W137 AromaticContact CD2-NE1 3.48Å; W127-W137 AromaticContact CE2-CD1 3.46Å; W127-W137 VanDerWaalsContact CE2-CD1 3.46Å; W127-W137 AromaticContact CE2-NE1 3.65Å; W127-W137 AromaticContact CE3-CD1 3.91Å; W127-W137 HydrophobicContact CE3-CD2 4.13Å; W127-W137 AromaticContact CE3-CE2 3.73Å; W127-W137 HydrophobicContact CE3-CG 4.25Å; W127-W137 HydrophobicContact CE3-CZ2 4.21Å; W127-W137 AromaticContact CE3-NE1 3.57Å; W127-W137 HydrophobicContact CH2-CB 3.65Å; W127-W137 AromaticContact CH2-CD1 3.44Å; W127-W137 VanDerWaalsContact CH2-CD1 3.44Å; W127-W137 AromaticContact CH2-CD2 3.96Å; W127-W137 HydrophobicContact CH2-CD2 3.96Å; W127-W137 AromaticContact CH2-CG 3.4Å; W127-W137 HydrophobicContact CH2-CG 3.4Å; W127-W137 AromaticContact CH2-NE1 3.99Å; W127-W137 HydrophobicContact CZ2-CB 4.04Å; W127-W137 AromaticContact CZ2-CD1 3.29Å; W127-W137 AromaticContact CZ2-CG 3.72Å; W127-W137 HydrophobicContact CZ2-CG 3.72Å; W127-W137 AromaticContact CZ2-NE1 3.92Å; W127-W137 HydrophobicContact CZ3-CB 4.32Å; W127-W137 AromaticContact CZ3-CD1 3.75Å; W127-W137 AromaticContact CZ3-CD2 3.73Å; W127-W137 HydrophobicContact CZ3-CD2 3.73Å; W127-W137 AromaticContact CZ3-CE2 3.84Å; W127-W137 HydrophobicContact CZ3-CE3 4.35Å; W127-W137 AromaticContact CZ3-CG 3.7Å; W127-W137 HydrophobicContact CZ3-CG 3.7Å; W127-W137 AromaticContact CZ3-NE1 3.83Å; W127-I142 HydrophobicContact CZ3-CG2 4.06Å; W127-M147 HydrophobicContact CE3-CE 3.78Å; W127-M147 HydrophobicContact CZ3-CE 4.34Å
128	N	90.6	Very high	88.9	Confident	23 Å²	23	63.5 Å²	63.5	12%	0.123	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-37.5	178.8	-71	-13.8	0	0	0	112.5	N89 T91 Q124 F126 K132	N89-N128 PolarHBondContact O-ND2 3.38Å; T91-N128 PolarHBondContact O-ND2 2.78Å; Q124-N128 PolarHBondContact NE2-OD1 3.26Å; Q124-N128 WeakPolarHBondContact O-CB 3.37Å; Q124-N128 PolarHBondContact O-N 3.05Å; Q124-N128 PolarHBondContact O-ND2 3.23Å; F126-N128 PolarHBondContact O-N 3.42Å; N128-K132 PolarHBondContact O-N 2.82Å
129	A	88.4	Confident	87.5	Confident	45 Å²	45	67.4 Å²	67.4	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-67.8	-36.4	175.7	0	0	0	0	0	112.5	M125 F126 W127 K132 K133	M125-A129 VanDerWaalsContact O-CB 3.26Å; M125-A129 WeakPolarHBondContact O-CB 3.33Å; M125-A129 PolarHBondContact O-N 3.23Å; F126-A129 PolarHBondContact O-N 3.06Å; W127-A129 VanDerWaalsContact C-N 3.34Å; W127-A129 PolarHBondContact O-N 2.76Å; A129-K132 PolarHBondContact O-N 2.6Å; A129-K133 WeakPolarHBondContact O-CG 3.37Å; A129-K133 PolarHBondContact O-N 3.23Å; A129-K133 VanDerWaalsContact O-N 3.16Å
130	M	88.1	Confident	86.2	Confident	34 Å²	34	73.8 Å²	73.8	17%	0.167	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-44.5	175.2	-71.8	-63.1	-74	0	0	111.6	F126 W127 K132 K133 G134 W135 W137	F126-M130 HydrophobicContact CD1-CG 4.05Å; F126-M130 HydrophobicContact CE1-CG 3.68Å; F126-M130 HydrophobicContact CZ-CG 3.94Å; F126-M130 HydrophobicContact CZ-SD 4.23Å; F126-M130 WeakPolarHBondContact O-CG 3.28Å; F126-M130 PolarHBondContact O-N 3.24Å; W127-M130 PolarHBondContact O-N 3.21Å; M130-K132 VanDerWaalsContact C-N 3.31Å; M130-K132 PolarHBondContact O-N 3.17Å; M130-K133 WeakPolarHBondContact O-CA 3.37Å; M130-K133 WeakPolarHBondContact O-CB 3.44Å; M130-K133 PolarHBondContact O-N 2.87Å; M130-K133 HydrophobicContact SD-CD 4.28Å; M130-G134 PolarHBondContact O-N 2.88Å; M130-W135 HydrophobicContact CB-CB 4.07Å; M130-W135 HydrophobicContact CB-CG 4.43Å; M130-W135 HydrophobicContact CE-CB 4.14Å; M130-W135 HydrophobicContact CE-CD2 3.75Å; M130-W135 HydrophobicContact CE-CE3 3.87Å; M130-W135 HydrophobicContact CE-CG 3.87Å; M130-W135 WeakPolarHBondContact O-CB 3.49Å; M130-W135 PolarHBondContact O-N 3.14Å; M130-W135 VanDerWaalsContact O-N 3.09Å; M130-W137 HydrophobicContact CB-CZ2 3.78Å; M130-W137 HydrophobicContact CG-CZ2 4.04Å
131	L	89.1	Confident	85.1	Confident	66 Å²	66	77 Å²	77	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-56.4	-44.1	172	-71.3	178.6	0	0	0	111.8	A93 W127 K133 G134	A93-L131 HydrophobicContact CB-CD1 3.51Å; W127-L131 PolarHBondContact O-N 3.44Å; L131-K133 PolarHBondContact O-N 3.14Å; L131-G134 PolarHBondContact O-N 3.06Å
132	K	86.7	Confident	84.7	Confident	169 Å²	169	75.5 Å²	75.5	74%	0.735	37%	0.369	S	S	*	.	H	α-helix	trans	-62.3	-27.7	176	-172.9	177.1	177.9	-176	0	113.2	N128 A129 M130 G134	N128-K132 PolarHBondContact O-N 2.82Å; A129-K132 PolarHBondContact O-N 2.6Å; M130-K132 VanDerWaalsContact C-N 3.31Å; M130-K132 PolarHBondContact O-N 3.17Å; K132-G134 PolarHBondContact O-N 2.71Å
133	K	84.1	Confident	84.5	Confident	168 Å²	168	77.7 Å²	77.7	73%	0.73	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	2.9	172.8	-69.7	172.2	-179.7	179.7	0	113.4	A129 M130 L131	A129-K133 WeakPolarHBondContact O-CG 3.37Å; A129-K133 PolarHBondContact O-N 3.23Å; A129-K133 VanDerWaalsContact O-N 3.16Å; M130-K133 WeakPolarHBondContact O-CA 3.37Å; M130-K133 WeakPolarHBondContact O-CB 3.44Å; M130-K133 PolarHBondContact O-N 2.87Å; M130-K133 HydrophobicContact SD-CD 4.28Å; L131-K133 PolarHBondContact O-N 3.14Å
134	G	86.8	Confident	84.3	Confident	57 Å²	57	81.4 Å²	81.4	59%	0.588	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	11.3	-178.1	0	0	0	0	0	114.3	M130 L131 K132	M130-G134 PolarHBondContact O-N 2.88Å; L131-G134 PolarHBondContact O-N 3.06Å; K132-G134 PolarHBondContact O-N 2.71Å
135	W	86.3	Confident	84.1	Confident	128 Å²	128	88.5 Å²	88.5	49%	0.485	43%	0.432	S	S	.	.			trans	-66	139.9	172.7	-170.6	-92.3	0	0	0	110.3	M130 W137	M130-W135 HydrophobicContact CB-CB 4.07Å; M130-W135 HydrophobicContact CB-CG 4.43Å; M130-W135 HydrophobicContact CE-CB 4.14Å; M130-W135 HydrophobicContact CE-CD2 3.75Å; M130-W135 HydrophobicContact CE-CE3 3.87Å; M130-W135 HydrophobicContact CE-CG 3.87Å; M130-W135 WeakPolarHBondContact O-CB 3.49Å; M130-W135 PolarHBondContact O-N 3.14Å; M130-W135 VanDerWaalsContact O-N 3.09Å; W135-W137 AromaticContact CD1-CD2 3.38Å; W135-W137 AromaticContact CD1-CE2 3.39Å; W135-W137 AromaticContact CD1-CE3 3.67Å; W135-W137 AromaticContact CD1-CG 3.89Å; W135-W137 AromaticContact CD1-CH2 3.95Å; W135-W137 AromaticContact CD1-CZ2 3.7Å; W135-W137 AromaticContact CD1-CZ3 3.94Å; W135-W137 AromaticContact CD1-NE1 3.85Å; W135-W137 HydrophobicContact CZ2-CZ3 4.44Å; W135-W137 AromaticContact NE1-CD2 3.35Å; W135-W137 VanDerWaalsContact NE1-CD2 3.35Å; W135-W137 AromaticContact NE1-CE2 3.7Å; W135-W137 AromaticContact NE1-CE3 3.08Å; W135-W137 AromaticContact NE1-CH2 3.59Å; W135-W137 AromaticContact NE1-CZ2 3.83Å; W135-W137 AromaticContact NE1-CZ3 3.21Å
136	K	86.6	Confident	83.9	Confident	178 Å²	178	90.1 Å²	90.1	77%	0.774	44%	0.442	S	S	*	.			trans	-119.8	104	178.5	-63.7	-175.8	-179.3	-176	0	108.6
137	W	83.1	Confident	83.9	Confident	48 Å²	48	88.1 Å²	88.1	18%	0.182	43%	0.433	C	S	.	.			trans	-67.4	139	168.8	-53.6	110	0	0	0	109.1	W127 M130 W135 I142 M147	W127-W137 AromaticContact CD2-CD1 3.79Å; W127-W137 AromaticContact CD2-NE1 3.48Å; W127-W137 AromaticContact CE2-CD1 3.46Å; W127-W137 VanDerWaalsContact CE2-CD1 3.46Å; W127-W137 AromaticContact CE2-NE1 3.65Å; W127-W137 AromaticContact CE3-CD1 3.91Å; W127-W137 HydrophobicContact CE3-CD2 4.13Å; W127-W137 AromaticContact CE3-CE2 3.73Å; W127-W137 HydrophobicContact CE3-CG 4.25Å; W127-W137 HydrophobicContact CE3-CZ2 4.21Å; W127-W137 AromaticContact CE3-NE1 3.57Å; W127-W137 HydrophobicContact CH2-CB 3.65Å; W127-W137 AromaticContact CH2-CD1 3.44Å; W127-W137 VanDerWaalsContact CH2-CD1 3.44Å; W127-W137 AromaticContact CH2-CD2 3.96Å; W127-W137 HydrophobicContact CH2-CD2 3.96Å; W127-W137 AromaticContact CH2-CG 3.4Å; W127-W137 HydrophobicContact CH2-CG 3.4Å; W127-W137 AromaticContact CH2-NE1 3.99Å; W127-W137 HydrophobicContact CZ2-CB 4.04Å; W127-W137 AromaticContact CZ2-CD1 3.29Å; W127-W137 AromaticContact CZ2-CG 3.72Å; W127-W137 HydrophobicContact CZ2-CG 3.72Å; W127-W137 AromaticContact CZ2-NE1 3.92Å; W127-W137 HydrophobicContact CZ3-CB 4.32Å; W127-W137 AromaticContact CZ3-CD1 3.75Å; W127-W137 AromaticContact CZ3-CD2 3.73Å; W127-W137 HydrophobicContact CZ3-CD2 3.73Å; W127-W137 AromaticContact CZ3-CE2 3.84Å; W127-W137 HydrophobicContact CZ3-CE3 4.35Å; W127-W137 AromaticContact CZ3-CG 3.7Å; W127-W137 HydrophobicContact CZ3-CG 3.7Å; W127-W137 AromaticContact CZ3-NE1 3.83Å; M130-W137 HydrophobicContact CB-CZ2 3.78Å; M130-W137 HydrophobicContact CG-CZ2 4.04Å; W135-W137 AromaticContact CD1-CD2 3.38Å; W135-W137 AromaticContact CD1-CE2 3.39Å; W135-W137 AromaticContact CD1-CE3 3.67Å; W135-W137 AromaticContact CD1-CG 3.89Å; W135-W137 AromaticContact CD1-CH2 3.95Å; W135-W137 AromaticContact CD1-CZ2 3.7Å; W135-W137 AromaticContact CD1-CZ3 3.94Å; W135-W137 AromaticContact CD1-NE1 3.85Å; W135-W137 HydrophobicContact CZ2-CZ3 4.44Å; W135-W137 AromaticContact NE1-CD2 3.35Å; W135-W137 VanDerWaalsContact NE1-CD2 3.35Å; W135-W137 AromaticContact NE1-CE2 3.7Å; W135-W137 AromaticContact NE1-CE3 3.08Å; W135-W137 AromaticContact NE1-CH2 3.59Å; W135-W137 AromaticContact NE1-CZ2 3.83Å; W135-W137 AromaticContact NE1-CZ3 3.21Å; W137-I142 HydrophobicContact CD2-CG2 4.33Å; W137-I142 HydrophobicContact CE3-CB 4.32Å; W137-I142 HydrophobicContact CE3-CD1 4.21Å; W137-I142 HydrophobicContact CE3-CG2 3.61Å; W137-I142 HydrophobicContact CH2-CD1 4.03Å; W137-I142 HydrophobicContact CZ3-CB 4.38Å; W137-I142 HydrophobicContact CZ3-CD1 3.55Å; W137-I142 HydrophobicContact CZ3-CG2 4.08Å; W137-M147 HydrophobicContact CH2-CE 3.69Å; W137-M147 HydrophobicContact CZ2-CE 3.77Å; W137-M147 HydrophobicContact CZ3-CE 4.37Å
138	K	75	Confident	83.9	Confident	128 Å²	128	93.1 Å²	93.1	56%	0.557	45%	0.453	S	S	*	.			trans	-110.3	155.6	164.6	-51.3	-170	-130.9	75.2	0	109	E140 D141	K138-E140 PolarHBondContact O-N 2.7Å; K138-E140 VanDerWaalsContact O-N 3.11Å; K138-D141 HydrophobicContact CB-CB 4.35Å; K138-D141 WeakPolarHBondContact CB-OD2 3.48Å; K138-D141 VanDerWaalsContact CG-OD2 3.29Å; K138-D141 WeakPolarHBondContact CG-OD2 3.38Å; K138-D141 PolarHBondContact N-OD2 2.79Å; K138-D141 VanDerWaalsContact NZ-CG 3.27Å; K138-D141 IonicContact NZ-OD1 2.82Å; K138-D141 PolarHBondContact NZ-OD1 2.7Å; K138-D141 IonicContact NZ-OD2 2.79Å; K138-D141 PolarHBondContact NZ-OD2 2.82Å; K138-D141 PolarHBondContact O-N 3.17Å
139	D	64.6	Low	83.8	Confident	139 Å²	139	94.7 Å²	94.7	74%	0.743	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.8	-173.8	-54.9	-46.3	0	0	0	113.9
140	E	63.6	Low	83.8	Confident	193 Å²	193	95.1 Å²	95.1	90%	0.902	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-14.1	176.9	-63.2	178.6	-144	0	0	113.8	K138	K138-E140 PolarHBondContact O-N 2.7Å; K138-E140 VanDerWaalsContact O-N 3.11Å
141	D	69.9	Low	83.9	Confident	85 Å²	85	94.1 Å²	94.1	46%	0.455	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.1	-167.2	-73	-11	0	0	0	113.7	K138	K138-D141 HydrophobicContact CB-CB 4.35Å; K138-D141 WeakPolarHBondContact CB-OD2 3.48Å; K138-D141 VanDerWaalsContact CG-OD2 3.29Å; K138-D141 WeakPolarHBondContact CG-OD2 3.38Å; K138-D141 PolarHBondContact N-OD2 2.79Å; K138-D141 VanDerWaalsContact NZ-CG 3.27Å; K138-D141 IonicContact NZ-OD1 2.82Å; K138-D141 PolarHBondContact NZ-OD1 2.7Å; K138-D141 IonicContact NZ-OD2 2.79Å; K138-D141 PolarHBondContact NZ-OD2 2.82Å; K138-D141 PolarHBondContact O-N 3.17Å
142	I	82.3	Confident	83.9	Confident	21 Å²	21	96.1 Å²	96.1	11%	0.108	46%	0.455	C	S	.	.			trans	-158.6	137.1	-173.6	-165.5	167.8	0	0	0	113.1	F98 W127 W137 D146 M147 I150	F98-I142 WeakPolarHBondContact CE1-O 3.38Å; F98-I142 HydrophobicContact CZ-CG2 4.32Å; W127-I142 HydrophobicContact CZ3-CG2 4.06Å; W137-I142 HydrophobicContact CD2-CG2 4.33Å; W137-I142 HydrophobicContact CE3-CB 4.32Å; W137-I142 HydrophobicContact CE3-CD1 4.21Å; W137-I142 HydrophobicContact CE3-CG2 3.61Å; W137-I142 HydrophobicContact CH2-CD1 4.03Å; W137-I142 HydrophobicContact CZ3-CB 4.38Å; W137-I142 HydrophobicContact CZ3-CD1 3.55Å; W137-I142 HydrophobicContact CZ3-CG2 4.08Å; I142-D146 HydrophobicContact CG1-CB 3.81Å; I142-M147 HydrophobicContact CD1-CB 4.46Å; I142-M147 HydrophobicContact CD1-CE 3.6Å; I142-I150 HydrophobicContact CD1-CD1 3.76Å
143	S	88.8	Confident	84	Confident	48 Å²	48	89.8 Å²	89.8	34%	0.336	43%	0.428	S	S	.	.			trans	-98.3	164.4	169.4	79.9	0	0	0	0	112.8	K145 D146 M147	S143-K145 PolarHBondContact O-N 2.96Å; S143-K145 PolarHBondContact OG-N 3.46Å; S143-D146 VanDerWaalsContact CB-OD2 3.22Å; S143-D146 WeakPolarHBondContact CB-OD2 3.42Å; S143-D146 PolarHBondContact N-OD2 2.86Å; S143-D146 PolarHBondContact O-N 3.15Å; S143-D146 PolarHBondContact OG-N 2.87Å; S143-D146 PolarHBondContact OG-OD2 2.95Å; S143-M147 PolarHBondContact O-N 2.9Å; S143-M147 VanDerWaalsContact O-N 3.07Å
144	Q	89.2	Confident	84.2	Confident	99 Å²	99	86.1 Å²	86.1	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-54.3	-37.9	172	-170.1	-172.8	3.1	0	0	112.2	F98 V99 L100 D146 M147 Y148	F98-Q144 HydrophobicContact CB-CB 4.43Å; F98-Q144 HydrophobicContact CD1-CB 4.46Å; F98-Q144 HydrophobicContact CD2-CB 3.66Å; F98-Q144 HydrophobicContact CD2-CG 3.95Å; F98-Q144 HydrophobicContact CE2-CB 4Å; F98-Q144 HydrophobicContact CE2-CG 4.44Å; F98-Q144 HydrophobicContact CG-CB 3.93Å; V99-Q144 PolarHBondContact O-NE2 2.94Å; L100-Q144 HydrophobicContact CD2-CG 4.37Å; Q144-D146 VanDerWaalsContact C-N 3.33Å; Q144-M147 PolarHBondContact O-N 2.76Å; Q144-Y148 PolarHBondContact O-N 2.88Å; Q144-Y148 VanDerWaalsContact O-N 3.11Å
145	K	89.8	Confident	84.4	Confident	150 Å²	150	83.9 Å²	83.9	65%	0.652	39%	0.388	S	S	*	.	H	α-helix	trans	-66.7	-36.7	178.2	-174.3	-176.6	177.2	-172.1	0	111.6	S143 Y148 N149	S143-K145 PolarHBondContact O-N 2.96Å; S143-K145 PolarHBondContact OG-N 3.46Å; K145-Y148 PolarHBondContact O-N 2.9Å; K145-N149 WeakPolarHBondContact O-CB 3.4Å; K145-N149 PolarHBondContact O-N 2.93Å; K145-N149 PolarHBondContact O-ND2 3.29Å
146	D	88.7	Confident	84.7	Confident	67 Å²	67	80.7 Å²	80.7	36%	0.358	38%	0.379	S	S	.	.	H	α-helix	trans	-69.7	-39	177.8	-55.2	-46.2	0	0	0	110.8	I142 S143 Q144 N149 I150	I142-D146 HydrophobicContact CG1-CB 3.81Å; S143-D146 VanDerWaalsContact CB-OD2 3.22Å; S143-D146 WeakPolarHBondContact CB-OD2 3.42Å; S143-D146 PolarHBondContact N-OD2 2.86Å; S143-D146 PolarHBondContact O-N 3.15Å; S143-D146 PolarHBondContact OG-N 2.87Å; S143-D146 PolarHBondContact OG-OD2 2.95Å; Q144-D146 VanDerWaalsContact C-N 3.33Å; D146-N149 PolarHBondContact O-N 2.86Å; D146-I150 WeakPolarHBondContact O-CB 3.43Å; D146-I150 WeakPolarHBondContact O-CD1 3.46Å; D146-I150 WeakPolarHBondContact O-CG1 3.45Å; D146-I150 PolarHBondContact O-N 3.1Å
147	M	89.6	Confident	84.9	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-47	173.3	-172.6	52.4	69.5	0	0	112.1	L100 E123 F126 W127 W137 I142 S143 Q144 N149 I150 I151	L100-M147 HydrophobicContact CD1-CG 4.31Å; L100-M147 HydrophobicContact CD2-CB 4Å; L100-M147 HydrophobicContact CD2-CG 3.7Å; E123-M147 HydrophobicContact CB-CG 4.16Å; F126-M147 HydrophobicContact CD1-CE 3.95Å; F126-M147 HydrophobicContact CD1-SD 3.51Å; F126-M147 VanDerWaalsContact CD1-SD 3.51Å; F126-M147 HydrophobicContact CE1-CE 4.1Å; F126-M147 HydrophobicContact CE1-SD 3.94Å; F126-M147 HydrophobicContact CG-SD 4.47Å; W127-M147 HydrophobicContact CE3-CE 3.78Å; W127-M147 HydrophobicContact CZ3-CE 4.34Å; W137-M147 HydrophobicContact CH2-CE 3.69Å; W137-M147 HydrophobicContact CZ2-CE 3.77Å; W137-M147 HydrophobicContact CZ3-CE 4.37Å; I142-M147 HydrophobicContact CD1-CB 4.46Å; I142-M147 HydrophobicContact CD1-CE 3.6Å; S143-M147 PolarHBondContact O-N 2.9Å; S143-M147 VanDerWaalsContact O-N 3.07Å; Q144-M147 PolarHBondContact O-N 2.76Å; M147-N149 PolarHBondContact O-N 2.79Å; M147-I150 PolarHBondContact O-N 3.2Å; M147-I151 HydrophobicContact CG-CD1 3.99Å; M147-I151 PolarHBondContact O-N 3.27Å; M147-I151 VanDerWaalsContact O-N 3.12Å; M147-I151 HydrophobicContact SD-CD1 3.62Å; M147-I151 HydrophobicContact SD-CG1 4.32Å
148	Y	90.4	Very high	85.3	Confident	110 Å²	110	72.6 Å²	72.6	43%	0.431	35%	0.347	S	S	.	.	H	α-helix	trans	-56.1	-48.3	173.1	169.8	-95.5	0	0	0	112	E123 Q144 K145 I151 R152	E123-Y148 WeakPolarHBondContact OE1-CB 3.49Å; E123-Y148 WeakPolarHBondContact OE1-CD2 3.48Å; Q144-Y148 PolarHBondContact O-N 2.88Å; Q144-Y148 VanDerWaalsContact O-N 3.11Å; K145-Y148 PolarHBondContact O-N 2.9Å; Y148-I151 PolarHBondContact O-N 3.48Å; Y148-R152 WeakPolarHBondContact O-CB 3.43Å; Y148-R152 PolarHBondContact O-N 3.34Å; Y148-R152 PolarHBondContact OH-NH1 3.14Å; Y148-R152 VanDerWaalsContact OH-NH1 3.08Å
149	N	89.3	Confident	86.3	Confident	55 Å²	55	68.1 Å²	68.1	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-47.3	179.3	-70.3	-25.6	0	0	0	111.7	K145 D146 M147 I151 R152 I153	K145-N149 WeakPolarHBondContact O-CB 3.4Å; K145-N149 PolarHBondContact O-N 2.93Å; K145-N149 PolarHBondContact O-ND2 3.29Å; D146-N149 PolarHBondContact O-N 2.86Å; M147-N149 PolarHBondContact O-N 2.79Å; N149-I151 VanDerWaalsContact C-N 3.34Å; N149-I151 PolarHBondContact O-N 3.05Å; N149-R152 PolarHBondContact O-N 3.46Å; N149-I153 VanDerWaalsContact O-CB 3.26Å; N149-I153 WeakPolarHBondContact O-CB 3.37Å; N149-I153 WeakPolarHBondContact O-CG1 3.38Å; N149-I153 PolarHBondContact O-N 2.77Å
150	I	88.4	Confident	87.7	Confident	54 Å²	54	62.8 Å²	62.8	28%	0.277	30%	0.299	S	S	.	.	H	α-helix	trans	-55.4	-48.7	179.5	-75.6	163.9	0	0	0	110.3	F126 I142 D146 M147 I153 H154	F126-I150 HydrophobicContact CE1-CG2 4.34Å; F126-I150 HydrophobicContact CZ-CG2 4.22Å; I142-I150 HydrophobicContact CD1-CD1 3.76Å; D146-I150 WeakPolarHBondContact O-CB 3.43Å; D146-I150 WeakPolarHBondContact O-CD1 3.46Å; D146-I150 WeakPolarHBondContact O-CG1 3.45Å; D146-I150 PolarHBondContact O-N 3.1Å; M147-I150 PolarHBondContact O-N 3.2Å; I150-I153 WeakPolarHBondContact O-CB 3.44Å; I150-I153 PolarHBondContact O-N 3.05Å; I150-H154 PolarHBondContact O-N 3.23Å; I150-H154 PolarHBondContact O-ND1 3.23Å
151	I	89.8	Confident	89.2	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-72.6	-41.7	-175.6	-72.3	155.9	0	0	0	111.7	E123 F126 M147 Y148 N149 I153 H154 N155	E123-I151 HydrophobicContact CB-CD1 3.83Å; E123-I151 HydrophobicContact CG-CD1 3.68Å; F126-I151 HydrophobicContact CB-CD1 3.83Å; F126-I151 HydrophobicContact CB-CG1 4.25Å; F126-I151 HydrophobicContact CD1-CD1 4.32Å; F126-I151 HydrophobicContact CD1-CG1 4.45Å; F126-I151 HydrophobicContact CD2-CG1 4.4Å; F126-I151 HydrophobicContact CG-CD1 4.1Å; F126-I151 HydrophobicContact CG-CG1 4.12Å; M147-I151 HydrophobicContact CG-CD1 3.99Å; M147-I151 PolarHBondContact O-N 3.27Å; M147-I151 VanDerWaalsContact O-N 3.12Å; M147-I151 HydrophobicContact SD-CD1 3.62Å; M147-I151 HydrophobicContact SD-CG1 4.32Å; Y148-I151 PolarHBondContact O-N 3.48Å; N149-I151 VanDerWaalsContact C-N 3.34Å; N149-I151 PolarHBondContact O-N 3.05Å; I151-I153 PolarHBondContact O-N 2.96Å; I151-H154 PolarHBondContact O-N 3Å; I151-H154 VanDerWaalsContact O-N 3.09Å; I151-N155 VanDerWaalsContact O-CG 3.26Å; I151-N155 PolarHBondContact O-N 3.49Å; I151-N155 PolarHBondContact O-OD1 3.26Å
152	R	90.1	Very high	90.5	Very high	109 Å²	109	49.9 Å²	49.9	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-55.3	-43.6	172.6	-178.5	174.7	176.4	170.4	-3.3	111.5	Y148 N149 N155 Q156	Y148-R152 WeakPolarHBondContact O-CB 3.43Å; Y148-R152 PolarHBondContact O-N 3.34Å; Y148-R152 PolarHBondContact OH-NH1 3.14Å; Y148-R152 VanDerWaalsContact OH-NH1 3.08Å; N149-R152 PolarHBondContact O-N 3.46Å; R152-N155 PolarHBondContact O-N 3.35Å; R152-Q156 WeakPolarHBondContact O-CB 3.38Å; R152-Q156 VanDerWaalsContact O-CG 3.28Å; R152-Q156 WeakPolarHBondContact O-CG 3.48Å; R152-Q156 PolarHBondContact O-N 2.89Å
153	I	87.4	Confident	91.2	Very high	35 Å²	35	54.7 Å²	54.7	18%	0.179	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-47.9	173.7	-85.7	167.1	0	0	0	112	N149 I150 I151 N155 Q156 N157 F240	N149-I153 VanDerWaalsContact O-CB 3.26Å; N149-I153 WeakPolarHBondContact O-CB 3.37Å; N149-I153 WeakPolarHBondContact O-CG1 3.38Å; N149-I153 PolarHBondContact O-N 2.77Å; I150-I153 WeakPolarHBondContact O-CB 3.44Å; I150-I153 PolarHBondContact O-N 3.05Å; I151-I153 PolarHBondContact O-N 2.96Å; I153-N155 PolarHBondContact O-N 2.56Å; I153-Q156 PolarHBondContact O-N 2.96Å; I153-N157 WeakPolarHBondContact O-CB 3.04Å; I153-N157 VanDerWaalsContact O-CG 3.28Å; I153-N157 PolarHBondContact O-N 3.48Å; I153-N157 PolarHBondContact O-ND2 3.19Å; I153-F240 HydrophobicContact CB-CE1 4.2Å; I153-F240 HydrophobicContact CD1-CE1 3.83Å; I153-F240 HydrophobicContact CG1-CE1 3.91Å; I153-F240 HydrophobicContact CG2-CE1 3.33Å; I153-F240 HydrophobicContact CG2-CZ 3.43Å; I153-F240 VanDerWaalsContact CG2-CZ 3.43Å
154	H	88.9	Confident	91.6	Very high	92 Å²	92	55.1 Å²	55.1	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-41.2	-179.7	-78.4	73.5	0	0	0	111.5	I150 I151 N157 N158	I150-H154 PolarHBondContact O-N 3.23Å; I150-H154 PolarHBondContact O-ND1 3.23Å; I151-H154 PolarHBondContact O-N 3Å; I151-H154 VanDerWaalsContact O-N 3.09Å; H154-N157 PolarHBondContact O-N 3.28Å; H154-N158 PolarHBondContact O-N 3.37Å; H154-N158 PolarHBondContact O-ND2 3.15Å
155	N	91.5	Very high	91.9	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.053	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-48	174.9	-64.2	-1.7	0	0	0	110.2	E105 Y120 I151 R152 I153 N157 N158 E159	E105-N155 PolarHBondContact OE2-ND2 2.99Å; Y120-N155 WeakPolarHBondContact CB-OD1 3.46Å; Y120-N155 HydrophobicContact CD2-CB 3.76Å; Y120-N155 VanDerWaalsContact CD2-CG 3.43Å; Y120-N155 HydrophobicContact CE2-CB 3.86Å; Y120-N155 HydrophobicContact CG-CB 4.23Å; Y120-N155 VanDerWaalsContact CG-OD1 3.3Å; I151-N155 VanDerWaalsContact O-CG 3.26Å; I151-N155 PolarHBondContact O-N 3.49Å; I151-N155 PolarHBondContact O-OD1 3.26Å; R152-N155 PolarHBondContact O-N 3.35Å; I153-N155 PolarHBondContact O-N 2.56Å; N155-N157 VanDerWaalsContact C-N 3.33Å; N155-N157 PolarHBondContact O-N 3.27Å; N155-N158 WeakPolarHBondContact O-CB 3.11Å; N155-N158 PolarHBondContact O-N 2.94Å; N155-E159 WeakPolarHBondContact O-CG 3.49Å; N155-E159 PolarHBondContact O-N 3.05Å
156	Q	91.1	Very high	92.3	Very high	61 Å²	61	46.5 Å²	46.5	29%	0.285	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-36	176	-74.8	179.3	-49.7	0	0	113.6	R152 I153 Q160	R152-Q156 WeakPolarHBondContact O-CB 3.38Å; R152-Q156 VanDerWaalsContact O-CG 3.28Å; R152-Q156 WeakPolarHBondContact O-CG 3.48Å; R152-Q156 PolarHBondContact O-N 2.89Å; I153-Q156 PolarHBondContact O-N 2.96Å; Q156-Q160 VanDerWaalsContact O-CG 3.25Å; Q156-Q160 WeakPolarHBondContact O-CG 3.46Å; Q156-Q160 PolarHBondContact O-N 2.77Å; Q156-Q160 PolarHBondContact O-NE2 2.9Å
157	N	90.5	Very high	92.6	Very high	13 Å²	13	49.4 Å²	49.4	7%	0.07	23%	0.226	C	C	.	.	H	α-helix	trans	-67.7	-39.6	175.3	-74	-20.3	0	0	0	111.5	I153 H154 N155 Q160 A161 Y228 T241	I153-N157 WeakPolarHBondContact O-CB 3.04Å; I153-N157 VanDerWaalsContact O-CG 3.28Å; I153-N157 PolarHBondContact O-N 3.48Å; I153-N157 PolarHBondContact O-ND2 3.19Å; H154-N157 PolarHBondContact O-N 3.28Å; N155-N157 VanDerWaalsContact C-N 3.33Å; N155-N157 PolarHBondContact O-N 3.27Å; N157-Q160 PolarHBondContact O-N 3.39Å; N157-A161 PolarHBondContact O-N 3.42Å; N157-Y228 HydrophobicContact CB-CE1 4.38Å; N157-T241 WeakPolarHBondContact ND2-CG2 3.47Å; N157-T241 PolarHBondContact OD1-OG1 3.06Å
158	N	93.5	Very high	93	Very high	42 Å²	42	50.5 Å²	50.5	23%	0.225	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-42.6	174.1	-70.8	-36.8	0	0	0	111.9	Y120 H154 N155 Q160 A161 W162 W213	Y120-N158 HydrophobicContact CE1-CB 3.81Å; Y120-N158 WeakPolarHBondContact OH-CB 3.29Å; H154-N158 PolarHBondContact O-N 3.37Å; H154-N158 PolarHBondContact O-ND2 3.15Å; N155-N158 WeakPolarHBondContact O-CB 3.11Å; N155-N158 PolarHBondContact O-N 2.94Å; N158-Q160 VanDerWaalsContact C-N 3.29Å; N158-Q160 PolarHBondContact O-N 2.91Å; N158-A161 PolarHBondContact O-N 2.97Å; N158-W162 PolarHBondContact O-N 3.26Å; N158-W213 HydrophobicContact CB-CH2 4.39Å
159	E	95.2	Very high	93.2	Very high	34 Å²	34	45.8 Å²	45.8	16%	0.159	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-35	174.7	-70.9	-62.1	150.5	0	0	112.4	S107 S108 Y120 N155 K163	S107-E159 VanDerWaalsContact CA-OE1 3.25Å; S107-E159 WeakPolarHBondContact CA-OE1 3.25Å; S107-E159 VanDerWaalsContact CB-OE1 3.26Å; S107-E159 WeakPolarHBondContact CB-OE1 3.28Å; S108-E159 VanDerWaalsContact CB-OE2 3.24Å; S108-E159 WeakPolarHBondContact CB-OE2 3.43Å; S108-E159 PolarHBondContact N-OE1 2.84Å; S108-E159 PolarHBondContact OG-OE2 2.99Å; Y120-E159 HydrophobicContact CE2-CG 4.49Å; Y120-E159 PolarHBondContact OH-OE1 3.31Å; N155-E159 WeakPolarHBondContact O-CG 3.49Å; N155-E159 PolarHBondContact O-N 3.05Å; E159-K163 VanDerWaalsContact O-CG 3.28Å; E159-K163 WeakPolarHBondContact O-CG 3.48Å; E159-K163 PolarHBondContact O-N 3.25Å
160	Q	93.9	Very high	93.5	Very high	28 Å²	28	46.4 Å²	46.4	13%	0.131	23%	0.225	C	C	.	.	H	α-helix	trans	-70.6	-44.8	173.6	-74.5	168.8	70.6	0	0	111.9	Q156 N157 N158 W162 K163 E164 Q239 L243	Q156-Q160 VanDerWaalsContact O-CG 3.25Å; Q156-Q160 WeakPolarHBondContact O-CG 3.46Å; Q156-Q160 PolarHBondContact O-N 2.77Å; Q156-Q160 PolarHBondContact O-NE2 2.9Å; N157-Q160 PolarHBondContact O-N 3.39Å; N158-Q160 VanDerWaalsContact C-N 3.29Å; N158-Q160 PolarHBondContact O-N 2.91Å; Q160-W162 VanDerWaalsContact C-N 3.26Å; Q160-W162 PolarHBondContact O-N 2.87Å; Q160-K163 PolarHBondContact O-N 3.46Å; Q160-K163 VanDerWaalsContact O-N 3.14Å; Q160-E164 PolarHBondContact O-N 2.93Å; Q160-Q239 VanDerWaalsContact CD-NE2 3.33Å; Q160-L243 HydrophobicContact CB-CD1 4.21Å; Q160-L243 HydrophobicContact CB-CD2 4.21Å
161	A	95.1	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.9	-42.2	174.3	0	0	0	0	0	111.4	N157 N158 E164 I165 W213 I226 L243	N157-A161 PolarHBondContact O-N 3.42Å; N158-A161 PolarHBondContact O-N 2.97Å; A161-E164 PolarHBondContact O-N 2.76Å; A161-I165 WeakPolarHBondContact O-CG1 3.08Å; A161-I165 PolarHBondContact O-N 2.84Å; A161-W213 HydrophobicContact CB-CH2 4.14Å; A161-W213 HydrophobicContact CB-CZ2 4.29Å; A161-I226 HydrophobicContact CB-CD1 4.07Å; A161-I226 HydrophobicContact CB-CG2 4.43Å; A161-L243 HydrophobicContact CB-CD2 3.82Å
162	W	97	Very high	94	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-45	174.5	-176.2	-127	0	0	0	112.8	I109 P110 N158 Q160 E164 I165 L166 P180 W213 I215	I109-W162 HydrophobicContact CB-CD2 4.46Å; I109-W162 HydrophobicContact CB-CG 4.43Å; I109-W162 HydrophobicContact CD1-CB 3.99Å; I109-W162 HydrophobicContact CD1-CG 4.26Å; I109-W162 HydrophobicContact CG1-CB 3.91Å; I109-W162 HydrophobicContact CG1-CD2 4.19Å; I109-W162 HydrophobicContact CG1-CG 3.7Å; I109-W162 HydrophobicContact CG2-CD2 3.88Å; I109-W162 HydrophobicContact CG2-CE3 4.04Å; I109-W162 HydrophobicContact CG2-CG 4.31Å; I109-W162 HydrophobicContact CG2-CZ2 4.36Å; I109-W162 HydrophobicContact CG2-CZ3 4.36Å; P110-W162 HydrophobicContact CG-CZ2 4.09Å; N158-W162 PolarHBondContact O-N 3.26Å; Q160-W162 VanDerWaalsContact C-N 3.26Å; Q160-W162 PolarHBondContact O-N 2.87Å; W162-E164 VanDerWaalsContact C-N 3.32Å; W162-E164 PolarHBondContact O-N 3.48Å; W162-I165 HydrophobicContact CE3-CB 4.18Å; W162-I165 HydrophobicContact CE3-CD1 4.32Å; W162-I165 HydrophobicContact CE3-CG2 4.09Å; W162-I165 HydrophobicContact CZ3-CB 4.48Å; W162-I165 HydrophobicContact CZ3-CG2 3.88Å; W162-I165 WeakPolarHBondContact O-CB 3.4Å; W162-I165 PolarHBondContact O-N 2.82Å; W162-I165 VanDerWaalsContact O-N 3.15Å; W162-L166 HydrophobicContact CD2-CG 4.36Å; W162-L166 HydrophobicContact CH2-CD2 4.29Å; W162-L166 HydrophobicContact CZ2-CD2 3.82Å; W162-L166 HydrophobicContact CZ2-CG 4.3Å; W162-L166 WeakPolarHBondContact O-CG 3.16Å; W162-L166 PolarHBondContact O-N 2.94Å; W162-P180 HydrophobicContact CH2-CB 4.21Å; W162-P180 HydrophobicContact CH2-CG 3.99Å; W162-P180 HydrophobicContact CZ2-CG 4.4Å; W162-W213 HydrophobicContact CB-CZ3 4.23Å; W162-W213 HydrophobicContact CE3-CZ3 4.21Å; W162-I215 HydrophobicContact CZ3-CD1 3.79Å
163	K	96.8	Very high	94.2	Very high	121 Å²	121	43.4 Å²	43.4	53%	0.526	23%	0.226	S	C	.	.	H	α-helix	trans	-59.3	-40.2	175	-73.9	166.9	-174.7	175.4	0	112.7	E159 Q160 L166 K167	E159-K163 VanDerWaalsContact O-CG 3.28Å; E159-K163 WeakPolarHBondContact O-CG 3.48Å; E159-K163 PolarHBondContact O-N 3.25Å; Q160-K163 PolarHBondContact O-N 3.46Å; Q160-K163 VanDerWaalsContact O-N 3.14Å; K163-L166 PolarHBondContact O-N 2.86Å; K163-K167 WeakPolarHBondContact O-CG 3.42Å; K163-K167 PolarHBondContact O-N 3.12Å
164	E	96.5	Very high	94.4	Very high	57 Å²	57	46.5 Å²	46.5	27%	0.266	26%	0.256	S	S	.	.	H	α-helix	trans	-68	-37.8	174.8	-62.6	-49.7	128.5	0	0	112.3	Q160 A161 W162 L166 K167 W168 V245	Q160-E164 PolarHBondContact O-N 2.93Å; A161-E164 PolarHBondContact O-N 2.76Å; W162-E164 VanDerWaalsContact C-N 3.32Å; W162-E164 PolarHBondContact O-N 3.48Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.85Å; E164-K167 WeakPolarHBondContact O-CB 3.48Å; E164-K167 PolarHBondContact O-N 2.9Å; E164-K167 WeakPolarHBondContact OE1-CE 3.43Å; E164-K167 IonicContact OE1-NZ 3.05Å; E164-K167 PolarHBondContact OE1-NZ 3.47Å; E164-K167 WeakPolarHBondContact OE2-CD 3.47Å; E164-K167 WeakPolarHBondContact OE2-CE 3.4Å; E164-K167 IonicContact OE2-NZ 3.84Å; E164-K167 PolarHBondContact OE2-NZ 3.34Å; E164-W168 VanDerWaalsContact O-CD1 3.27Å; E164-W168 PolarHBondContact O-N 2.84Å; E164-V245 HydrophobicContact CB-CB 3.64Å; E164-V245 HydrophobicContact CB-CG1 3.91Å; E164-V245 HydrophobicContact CB-CG2 3.66Å; E164-V245 HydrophobicContact CG-CB 4.39Å; E164-V245 HydrophobicContact CG-CG2 4.05Å
165	I	97	Very high	94.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-45.7	171.5	-70.3	173.3	0	0	0	110.4	A161 W162 K167 W168 E169 W213 I215 Y224 I226 V245	A161-I165 WeakPolarHBondContact O-CG1 3.08Å; A161-I165 PolarHBondContact O-N 2.84Å; W162-I165 HydrophobicContact CE3-CB 4.18Å; W162-I165 HydrophobicContact CE3-CD1 4.32Å; W162-I165 HydrophobicContact CE3-CG2 4.09Å; W162-I165 HydrophobicContact CZ3-CB 4.48Å; W162-I165 HydrophobicContact CZ3-CG2 3.88Å; W162-I165 WeakPolarHBondContact O-CB 3.4Å; W162-I165 PolarHBondContact O-N 2.82Å; W162-I165 VanDerWaalsContact O-N 3.15Å; I165-K167 VanDerWaalsContact C-N 3.25Å; I165-K167 PolarHBondContact O-N 3.43Å; I165-W168 WeakPolarHBondContact O-CB 3.47Å; I165-W168 PolarHBondContact O-N 2.86Å; I165-E169 HydrophobicContact CG2-CG 4.05Å; I165-E169 PolarHBondContact O-N 2.86Å; I165-W213 HydrophobicContact CD1-CB 4.35Å; I165-W213 HydrophobicContact CD1-CD2 4.16Å; I165-W213 HydrophobicContact CD1-CE3 3.47Å; I165-W213 VanDerWaalsContact CD1-CE3 3.47Å; I165-W213 HydrophobicContact CD1-CZ3 4.08Å; I165-I215 HydrophobicContact CD1-CD1 4.24Å; I165-I215 HydrophobicContact CD1-CG1 4.45Å; I165-I215 HydrophobicContact CG2-CD1 4.45Å; I165-I215 HydrophobicContact CG2-CG1 4.07Å; I165-Y224 HydrophobicContact CD1-CG 4.2Å; I165-Y224 HydrophobicContact CG1-CD1 3.87Å; I165-Y224 HydrophobicContact CG1-CD2 4.47Å; I165-Y224 HydrophobicContact CG1-CE1 4.33Å; I165-Y224 HydrophobicContact CG1-CG 3.95Å; I165-Y224 HydrophobicContact CG2-CD2 4.28Å; I165-Y224 HydrophobicContact CG2-CE1 4.41Å; I165-Y224 HydrophobicContact CG2-CE2 4.06Å; I165-I226 HydrophobicContact CD1-CD1 4.41Å; I165-V245 HydrophobicContact CG1-CG1 3.72Å
166	L	96.8	Very high	94.4	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.356	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-31.6	177.9	-69.2	176.7	0	0	0	113.1	W162 K163 E164 W168 E169 A170 P180	W162-L166 HydrophobicContact CD2-CG 4.36Å; W162-L166 HydrophobicContact CH2-CD2 4.29Å; W162-L166 HydrophobicContact CZ2-CD2 3.82Å; W162-L166 HydrophobicContact CZ2-CG 4.3Å; W162-L166 WeakPolarHBondContact O-CG 3.16Å; W162-L166 PolarHBondContact O-N 2.94Å; K163-L166 PolarHBondContact O-N 2.86Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 2.85Å; L166-W168 VanDerWaalsContact C-N 3.34Å; L166-E169 PolarHBondContact O-N 2.91Å; L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3.1Å; L166-P180 HydrophobicContact CD2-CG 3.57Å
167	K	96.1	Very high	94.3	Very high	128 Å²	128	50 Å²	50	56%	0.557	28%	0.283	S	S	*	.	H	α-helix	trans	-66.5	-33.8	172.7	-65.7	177.4	-163.3	167.4	0	113	K163 E164 I165	K163-K167 WeakPolarHBondContact O-CG 3.42Å; K163-K167 PolarHBondContact O-N 3.12Å; E164-K167 WeakPolarHBondContact O-CB 3.48Å; E164-K167 PolarHBondContact O-N 2.9Å; E164-K167 WeakPolarHBondContact OE1-CE 3.43Å; E164-K167 IonicContact OE1-NZ 3.05Å; E164-K167 PolarHBondContact OE1-NZ 3.47Å; E164-K167 WeakPolarHBondContact OE2-CD 3.47Å; E164-K167 WeakPolarHBondContact OE2-CE 3.4Å; E164-K167 IonicContact OE2-NZ 3.84Å; E164-K167 PolarHBondContact OE2-NZ 3.34Å; I165-K167 VanDerWaalsContact C-N 3.25Å; I165-K167 PolarHBondContact O-N 3.43Å
168	W	96.9	Very high	94.2	Very high	24 Å²	24	54.9 Å²	54.9	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-75.1	-44.4	173.4	-73.9	102.3	0	0	0	111.4	E164 I165 L166 A170 L171 Y224 V245 R246 P247 D257 R258 V261	E164-W168 VanDerWaalsContact O-CD1 3.27Å; E164-W168 PolarHBondContact O-N 2.84Å; I165-W168 WeakPolarHBondContact O-CB 3.47Å; I165-W168 PolarHBondContact O-N 2.86Å; L166-W168 VanDerWaalsContact C-N 3.34Å; W168-A170 PolarHBondContact O-N 3.36Å; W168-L171 HydrophobicContact CE3-CD1 4.15Å; W168-L171 VanDerWaalsContact O-CB 3.26Å; W168-L171 WeakPolarHBondContact O-CB 3.36Å; W168-L171 VanDerWaalsContact O-CG 3.3Å; W168-L171 WeakPolarHBondContact O-CG 3.36Å; W168-L171 PolarHBondContact O-N 3.31Å; W168-Y224 HydrophobicContact CB-CE1 3.65Å; W168-Y224 WeakPolarHBondContact CB-OH 3.17Å; W168-Y224 AromaticContact CD1-CE1 3.94Å; W168-Y224 AromaticContact CG-CE1 3.86Å; W168-Y224 HydrophobicContact CG-CE1 3.86Å; W168-V245 PolarHBondContact NE1-O 2.95Å; W168-R246 HydrophobicContact CZ2-CB 4.04Å; W168-P247 HydrophobicContact CB-CG 4.45Å; W168-P247 HydrophobicContact CD2-CG 3.94Å; W168-P247 HydrophobicContact CE3-CG 3.74Å; W168-P247 HydrophobicContact CG-CG 4.27Å; W168-P247 HydrophobicContact CZ3-CG 4.25Å; W168-D257 HydrophobicContact CE3-CB 4.39Å; W168-D257 HydrophobicContact CZ3-CB 4.3Å; W168-R258 HydrophobicContact CH2-CG 3.97Å; W168-R258 HydrophobicContact CZ3-CG 4.22Å; W168-V261 HydrophobicContact CE3-CG2 3.93Å; W168-V261 HydrophobicContact CH2-CB 3.74Å; W168-V261 HydrophobicContact CH2-CG1 3.85Å; W168-V261 HydrophobicContact CH2-CG2 3.98Å; W168-V261 HydrophobicContact CZ2-CG1 4.3Å; W168-V261 HydrophobicContact CZ3-CB 3.72Å; W168-V261 HydrophobicContact CZ3-CG1 4.23Å; W168-V261 HydrophobicContact CZ3-CG2 3.47Å; W168-V261 VanDerWaalsContact CZ3-CG2 3.47Å
169	E	96.3	Very high	94.2	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-21.4	177.4	-66.7	-63.1	122.5	0	0	112.8	I165 L166 L171 H172 A173 P180 R217 Y224	I165-E169 HydrophobicContact CG2-CG 4.05Å; I165-E169 PolarHBondContact O-N 2.86Å; L166-E169 PolarHBondContact O-N 2.91Å; E169-L171 PolarHBondContact O-N 3.03Å; E169-H172 CarbonylContact O-C 3.37Å; E169-H172 WeakPolarHBondContact O-CA 3.26Å; E169-H172 PolarHBondContact O-N 3.32Å; E169-A173 PolarHBondContact O-N 3.43Å; E169-P180 HydrophobicContact CB-CB 4.48Å; E169-P180 HydrophobicContact CB-CG 3.97Å; E169-P180 HydrophobicContact CG-CB 4.03Å; E169-P180 HydrophobicContact CG-CG 3.94Å; E169-R217 IonicContact OE1-CZ 3.86Å; E169-R217 IonicContact OE1-NE 3.54Å; E169-R217 IonicContact OE1-NH2 3.14Å; E169-R217 PolarHBondContact OE1-NH2 3.38Å; E169-R217 IonicContact OE2-CZ 3.17Å; E169-R217 IonicContact OE2-NE 3.48Å; E169-R217 PolarHBondContact OE2-NE 2.94Å; E169-R217 IonicContact OE2-NH2 3.32Å; E169-R217 PolarHBondContact OE2-NH2 3.25Å; E169-Y224 WeakPolarHBondContact OE1-CE2 3.26Å; E169-Y224 PolarHBondContact OE1-OH 3.41Å
170	A	95.1	Very high	94.2	Very high	68 Å²	68	53.7 Å²	53.7	56%	0.562	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-58	-25	170.1	0	0	0	0	0	113.6	L166 W168 H172	L166-A170 WeakPolarHBondContact O-CB 3.19Å; L166-A170 PolarHBondContact O-N 3.1Å; W168-A170 PolarHBondContact O-N 3.36Å; A170-H172 PolarHBondContact O-N 3.18Å
171	L	94.1	Very high	94.4	Very high	38 Å²	38	53.1 Å²	53.1	20%	0.199	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-63.1	-20.1	171.3	-62.2	177.9	0	0	0	113.1	W168 E169 D257 K260 V261 W264	W168-L171 HydrophobicContact CE3-CD1 4.15Å; W168-L171 VanDerWaalsContact O-CB 3.26Å; W168-L171 WeakPolarHBondContact O-CB 3.36Å; W168-L171 VanDerWaalsContact O-CG 3.3Å; W168-L171 WeakPolarHBondContact O-CG 3.36Å; W168-L171 PolarHBondContact O-N 3.31Å; E169-L171 PolarHBondContact O-N 3.03Å; L171-D257 HydrophobicContact CD1-CB 3.83Å; L171-K260 HydrophobicContact CD2-CD 3.88Å; L171-V261 HydrophobicContact CD1-CG2 3.94Å; L171-W264 HydrophobicContact CD2-CH2 3.42Å; L171-W264 VanDerWaalsContact CD2-CH2 3.42Å; L171-W264 HydrophobicContact CD2-CZ3 3.47Å; L171-W264 VanDerWaalsContact CD2-CZ3 3.47Å
172	H	94.6	Very high	94.4	Very high	11 Å²	11	53.3 Å²	53.3	5%	0.051	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-124.7	18.6	-172.3	-53.1	-81.9	0	0	0	112.3	E169 A170 A174 E175 C176 R217 D257	E169-H172 CarbonylContact O-C 3.37Å; E169-H172 WeakPolarHBondContact O-CA 3.26Å; E169-H172 PolarHBondContact O-N 3.32Å; A170-H172 PolarHBondContact O-N 3.18Å; H172-A174 PolarHBondContact O-N 3.3Å; H172-E175 HydrophobicContact CB-CB 4.27Å; H172-E175 HydrophobicContact CB-CG 4.27Å; H172-E175 IonicContact CE1-OE1 3.73Å; H172-E175 IonicContact CG-OE1 3.12Å; H172-E175 IonicContact CG-OE2 3.52Å; H172-E175 VanDerWaalsContact ND1-CD 3.26Å; H172-E175 IonicContact ND1-OE1 2.86Å; H172-E175 PolarHBondContact ND1-OE1 3.42Å; H172-E175 IonicContact ND1-OE2 3.73Å; H172-E175 PolarHBondContact ND1-OE2 3.39Å; H172-E175 WeakPolarHBondContact O-CA 3.35Å; H172-E175 WeakPolarHBondContact O-CB 3.5Å; H172-E175 PolarHBondContact O-N 3.36Å; H172-C176 PolarHBondContact O-N 2.04Å; H172-R217 PolarHBondContact CD2-NH1 3.35Å; H172-R217 PolarHBondContact CD2-NH2 3.05Å; H172-R217 PolarHBondContact CE1-NH1 3.07Å; H172-R217 PolarHBondContact ND1-NH1 3.23Å; H172-R217 PolarHBondContact NE2-NH1 3.11Å; H172-R217 PolarHBondContact NE2-NH2 3.12Å; H172-D257 IonicContact CE1-OD1 3.68Å; H172-D257 PolarHBondContact CE1-OD1 2.85Å; H172-D257 VanDerWaalsContact CE1-OD1 3.26Å; H172-D257 IonicContact CE1-OD2 3.55Å; H172-D257 PolarHBondContact CE1-OD2 3.14Å; H172-D257 VanDerWaalsContact NE2-CG 3.25Å; H172-D257 IonicContact NE2-OD1 3.61Å; H172-D257 PolarHBondContact NE2-OD1 2.75Å; H172-D257 IonicContact NE2-OD2 2.77Å; H172-D257 PolarHBondContact NE2-OD2 3.18Å
173	A	92.9	Very high	94.3	Very high	64 Å²	64	55.2 Å²	55.2	53%	0.529	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.5	179.7	0	0	0	0	0	113.2	E169	E169-A173 PolarHBondContact O-N 3.43Å
174	A	91.9	Very high	93.9	Very high	99 Å²	99	55.1 Å²	55.1	82%	0.818	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-26.6	173.8	0	0	0	0	0	114.1	H172	H172-A174 PolarHBondContact O-N 3.3Å
175	E	90.6	Very high	93.6	Very high	111 Å²	111	57.8 Å²	57.8	52%	0.519	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-31.6	175.8	-64.1	167.6	-156.1	0	0	111.4	H172 R217	H172-E175 HydrophobicContact CB-CB 4.27Å; H172-E175 HydrophobicContact CB-CG 4.27Å; H172-E175 IonicContact CE1-OE1 3.73Å; H172-E175 IonicContact CG-OE1 3.12Å; H172-E175 IonicContact CG-OE2 3.52Å; H172-E175 VanDerWaalsContact ND1-CD 3.26Å; H172-E175 IonicContact ND1-OE1 2.86Å; H172-E175 PolarHBondContact ND1-OE1 3.42Å; H172-E175 IonicContact ND1-OE2 3.73Å; H172-E175 PolarHBondContact ND1-OE2 3.39Å; H172-E175 WeakPolarHBondContact O-CA 3.35Å; H172-E175 WeakPolarHBondContact O-CB 3.5Å; H172-E175 PolarHBondContact O-N 3.36Å; E175-R217 WeakPolarHBondContact OE2-CD 3.39Å; E175-R217 IonicContact OE2-CZ 3.18Å; E175-R217 IonicContact OE2-NH1 2.7Å; E175-R217 PolarHBondContact OE2-NH1 3.47Å; E175-R217 VanDerWaalsContact OE2-NH1 3.1Å
176	C	90.4	Very high	93.1	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.054	35%	0.354	C	S	.	.			trans	-136	76.7	-174.5	-165.6	0	0	0	0	113.1	H172 C178 G179 R217 C218	H172-C176 PolarHBondContact O-N 2.04Å; C176-C178 VanDerWaalsContact C-N 3.28Å; C176-C178 PolarHBondContact O-N 3.01Å; C176-G179 PolarHBondContact O-N 3.05Å; C176-G179 PolarHBondContact SG-O 3.04Å; C176-R217 HydrophobicContact CB-CG 3.79Å; C176-C218 WeakPolarHBondContact CA-SG 3.32Å; C176-C218 HydrophobicContact CB-CB 3.76Å; C176-C218 WeakPolarHBondContact CB-SG 3.22Å; C176-C218 WeakPolarHBondContact SG-CB 3.29Å; C176-C218 PolarHBondContact SG-N 3.45Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.46Å
177	P	89.2	Confident	92.6	Very high	117 Å²	117	58.7 Å²	58.7	76%	0.76	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.5	-175	-24.2	35.5	0	0	0	115.4	G179	P177-G179 VanDerWaalsContact C-N 3.29Å
178	C	89.1	Confident	92.1	Very high	117 Å²	117	55.1 Å²	55.1	79%	0.791	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5	174.5	57.3	0	0	0	0	113.8	C176 C218	C176-C178 VanDerWaalsContact C-N 3.28Å; C176-C178 PolarHBondContact O-N 3.01Å; C178-C218 PolarHBondContact SG-SG 3.33Å
179	G	92.6	Very high	91.3	Very high	30 Å²	30	56.4 Å²	56.4	31%	0.309	36%	0.364	S	S	.	.			trans	88.9	157.8	177.6	0	0	0	0	0	114.7	C176 P177	C176-G179 PolarHBondContact O-N 3.05Å; C176-G179 PolarHBondContact SG-O 3.04Å; P177-G179 VanDerWaalsContact C-N 3.29Å
180	P	96.1	Very high	90.5	Very high	20 Å²	20	65 Å²	65	13%	0.13	40%	0.401	C	S	.	.			trans	-74.4	154.7	179	32.2	-36.6	0	0	0	112.1	P110 W162 L166 E169 I215 N216	P110-P180 WeakPolarHBondContact CG-O 3.39Å; W162-P180 HydrophobicContact CH2-CB 4.21Å; W162-P180 HydrophobicContact CH2-CG 3.99Å; W162-P180 HydrophobicContact CZ2-CG 4.4Å; L166-P180 HydrophobicContact CD2-CG 3.57Å; E169-P180 HydrophobicContact CB-CB 4.48Å; E169-P180 HydrophobicContact CB-CG 3.97Å; E169-P180 HydrophobicContact CG-CB 4.03Å; E169-P180 HydrophobicContact CG-CG 3.94Å; P180-I215 HydrophobicContact CB-CG2 3.6Å; P180-N216 WeakPolarHBondContact CA-O 3.36Å
181	S	96.3	Very high	90.2	Very high	17 Å²	17	66.6 Å²	66.6	12%	0.119	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.1	174.7	51.7	0	0	0	0	113.2	A112 I215 N216	A112-S181 WeakPolarHBondContact CA-OG 3.43Å; S181-I215 CarbonylContact O-C 3.53Å; S181-I215 WeakPolarHBondContact O-CA 3.43Å; S181-N216 PolarHBondContact N-O 2.57Å; S181-N216 PolarHBondContact O-N 3.14Å
182	L	96	Very high	90	Very high	3 Å²	3	69.6 Å²	69.6	2%	0.016	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118	-178.5	176.1	63.8	0	0	0	110.2	I109 P110 A112 W118 R184 F185 W213 I215	I109-L182 HydrophobicContact CG2-CB 3.6Å; I109-L182 HydrophobicContact CG2-CD2 3.82Å; I109-L182 HydrophobicContact CG2-CG 4.36Å; P110-L182 PolarHBondContact O-N 3.01Å; A112-L182 PolarHBondContact N-O 3.24Å; A112-L182 VanDerWaalsContact N-O 3.14Å; W118-L182 HydrophobicContact CD2-CD2 4.45Å; W118-L182 HydrophobicContact CG-CD2 4.35Å; W118-L182 HydrophobicContact CZ2-CG 4.46Å; W118-L182 PolarHBondContact NE1-O 3.04Å; L182-R184 WeakPolarHBondContact CD1-O 3.48Å; L182-F185 HydrophobicContact CD2-CD1 4.24Å; L182-W213 HydrophobicContact CD1-CB 4.07Å; L182-W213 HydrophobicContact CD1-CD2 4.11Å; L182-W213 HydrophobicContact CD1-CE3 3.86Å; L182-W213 HydrophobicContact CD1-CG 4.22Å; L182-W213 HydrophobicContact CD2-CD2 4.45Å; L182-W213 HydrophobicContact CD2-CE3 4.01Å; L182-W213 HydrophobicContact CD2-CZ3 4.11Å; L182-I215 HydrophobicContact CB-CD1 4.24Å; L182-I215 HydrophobicContact CD1-CD1 3.61Å
183	I	94	Very high	89.9	Confident	48 Å²	48	69.1 Å²	69.1	25%	0.246	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-51	173.8	-59.4	170.2	0	0	0	109.9	A112 W118 I214 N216 E221	A112-I183 HydrophobicContact CB-CB 4.22Å; A112-I183 HydrophobicContact CB-CG1 3.49Å; A112-I183 VanDerWaalsContact CB-CG1 3.49Å; W118-I183 WeakPolarHBondContact CZ2-O 3.44Å; I183-I214 HydrophobicContact CB-CB 4.49Å; I183-I214 WeakPolarHBondContact CB-O 3.3Å; I183-I214 HydrophobicContact CD1-CG2 4.08Å; I183-I214 PolarHBondContact N-O 3.09Å; I183-N216 HydrophobicContact CD1-CB 3.79Å; I183-N216 HydrophobicContact CG1-CB 3.7Å; I183-E221 HydrophobicContact CD1-CG 3.67Å; I183-E221 WeakPolarHBondContact CD1-OE1 3.29Å
184	R	90.2	Very high	89.8	Confident	118 Å²	118	71 Å²	71	45%	0.445	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	150	-175.5	53.8	-169.3	142.5	101.2	9.3	111.5	L182 I214 E221	L182-R184 WeakPolarHBondContact CD1-O 3.48Å; R184-I214 HydrophobicContact CG-CB 3.86Å; R184-I214 HydrophobicContact CG-CG1 3.75Å; R184-I214 PolarHBondContact N-O 3.47Å; R184-I214 PolarHBondContact O-N 2.74Å; R184-E221 IonicContact CZ-OE2 3.55Å; R184-E221 IonicContact NH2-OE1 3.51Å; R184-E221 PolarHBondContact NH2-OE1 2.9Å; R184-E221 IonicContact NH2-OE2 2.68Å; R184-E221 PolarHBondContact NH2-OE2 3.43Å
185	F	89.4	Confident	89.8	Confident	114 Å²	114	71.6 Å²	71.6	50%	0.5	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.6	168.7	58.7	-85.7	0	0	0	109.6	W118 L182 W213	W118-F185 AromaticContact CE3-CE1 3.93Å; W118-F185 HydrophobicContact CE3-CE1 3.93Å; W118-F185 HydrophobicContact CH2-CE1 4.28Å; W118-F185 HydrophobicContact CZ3-CD1 4.47Å; W118-F185 AromaticContact CZ3-CE1 3.76Å; W118-F185 HydrophobicContact CZ3-CE1 3.76Å; L182-F185 HydrophobicContact CD2-CD1 4.24Å; F185-W213 VanDerWaalsContact CB-CD1 3.45Å; F185-W213 HydrophobicContact CB-CD2 4.3Å; F185-W213 HydrophobicContact CB-CG 4Å
186	G	87.1	Confident	89.9	Confident	32 Å²	32	66.3 Å²	66.3	33%	0.33	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	124.1	177.5	0	0	0	0	0	111.7	H211 D212	G186-H211 WeakPolarHBondContact O-CA 3.22Å; G186-D212 PolarHBondContact N-O 2.98Å; G186-D212 PolarHBondContact O-N 3.16Å
187	G	85.8	Confident	90	Very high	55 Å²	55	74.3 Å²	74.3	57%	0.567	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	136	174.6	0	0	0	0	0	111.7
188	K	86.1	Confident	90.3	Very high	53 Å²	53	73.4 Å²	73.4	23%	0.23	38%	0.384	C	S	.	.			trans	-137.5	36.5	-175.6	-76.2	-167.7	172.2	-175.9	0	112.3	K190 E191 R210 D212	K188-K190 PolarHBondContact O-N 3.24Å; K188-E191 HydrophobicContact CB-CB 4.37Å; K188-E191 IonicContact NZ-OE2 3.32Å; K188-E191 PolarHBondContact O-N 2.67Å; K188-R210 CarbonylContact C-O 3.52Å; K188-R210 WeakPolarHBondContact CA-O 3.47Å; K188-R210 HydrophobicContact CB-CG 4.4Å; K188-R210 PolarHBondContact N-O 2.73Å; K188-D212 HydrophobicContact CD-CB 4.27Å; K188-D212 WeakPolarHBondContact CE-OD2 3.41Å; K188-D212 IonicContact NZ-OD2 2.73Å; K188-D212 PolarHBondContact NZ-OD2 2.95Å
189	A	78.8	Confident	90.4	Very high	50 Å²	50	70.9 Å²	70.9	41%	0.413	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-29.2	-174.9	0	0	0	0	0	115.6
190	K	79.3	Confident	90.4	Very high	193 Å²	193	71.5 Å²	71.5	84%	0.839	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.3	177.9	-64.5	-176.6	-179.7	178.1	0	114.7	K188	K188-K190 PolarHBondContact O-N 3.24Å
191	E	89.1	Confident	90.3	Very high	100 Å²	100	81 Å²	81	47%	0.467	39%	0.391	S	S	.	.	S	Bend	trans	-101.3	89.1	-178.8	-68.4	175.6	-137.9	0	0	110	K188 S193 R210	K188-E191 HydrophobicContact CB-CB 4.37Å; K188-E191 IonicContact NZ-OE2 3.32Å; K188-E191 PolarHBondContact O-N 2.67Å; E191-S193 PolarHBondContact O-N 3.27Å; E191-R210 WeakPolarHBondContact O-CD 3.46Å; E191-R210 PolarHBondContact O-NH1 3.38Å; E191-R210 IonicContact OE2-NH1 3.04Å
192	Y	91	Very high	90.2	Very high	102 Å²	102	85.6 Å²	85.6	40%	0.4	41%	0.412	S	S	.	.			trans	-63.6	135.2	176.1	-60.8	-62	0	0	0	112.2	L206 P207	Y192-L206 HydrophobicContact CD1-CB 4.48Å; Y192-L206 HydrophobicContact CD1-CD2 3.99Å; Y192-L206 HydrophobicContact CD2-CD1 4.33Å; Y192-L206 HydrophobicContact CD2-CD2 4.32Å; Y192-L206 HydrophobicContact CE1-CB 4.09Å; Y192-L206 HydrophobicContact CE1-CD1 4.34Å; Y192-L206 HydrophobicContact CE1-CD2 4.33Å; Y192-L206 HydrophobicContact CE1-CG 4.49Å; Y192-L206 HydrophobicContact CE2-CD1 3.93Å; Y192-L206 HydrophobicContact CG-CD2 3.99Å; Y192-P207 HydrophobicContact CD1-CG 4.1Å; Y192-P207 HydrophobicContact CE1-CG 4.49Å
193	S	91.2	Very high	90	Very high	1 Å²	1	88.9 Å²	88.9	1%	0.007	45%	0.446	C	S	.	.			trans	-62.7	152.3	176.5	75.1	0	0	0	0	111.2	E191 R195 A196 R197 D227 R246	E191-S193 PolarHBondContact O-N 3.27Å; S193-R195 PolarHBondContact O-N 2.78Å; S193-R195 VanDerWaalsContact O-N 3.15Å; S193-A196 WeakPolarHBondContact O-CB 3.25Å; S193-A196 PolarHBondContact O-N 2.9Å; S193-A196 VanDerWaalsContact OG-CB 3.3Å; S193-A196 WeakPolarHBondContact OG-CB 3.24Å; S193-A196 PolarHBondContact OG-N 2.76Å; S193-A196 VanDerWaalsContact OG-N 3.1Å; S193-R197 WeakPolarHBondContact O-CG 3.38Å; S193-R197 PolarHBondContact O-N 2.82Å; S193-D227 WeakPolarHBondContact CB-OD1 3.36Å; S193-D227 PolarHBondContact OG-OD1 3.46Å; S193-D227 PolarHBondContact OG-OD2 3.31Å; S193-R246 VanDerWaalsContact CB-NH2 3.33Å; S193-R246 PolarHBondContact OG-NH2 3.2Å
194	P	91.4	Very high	89.9	Confident	102 Å²	102	93 Å²	93	66%	0.662	46%	0.46	S	S	*	.	H	α-helix	trans	-55.8	-35.1	178.4	-27.6	35.3	0	0	0	113.1	R197 I198	P194-R197 PolarHBondContact O-N 3.32Å; P194-I198 WeakPolarHBondContact O-CD1 3.28Å; P194-I198 VanDerWaalsContact O-CG1 3.29Å; P194-I198 WeakPolarHBondContact O-CG1 3.29Å; P194-I198 PolarHBondContact O-N 3.37Å
195	R	91.4	Very high	89.9	Confident	112 Å²	112	94.3 Å²	94.3	42%	0.423	47%	0.471	S	S	.	.	H	α-helix	trans	-67.8	-44.3	175.4	178.1	170.2	160.1	109.8	-5	112.2	S193 R197 I198 R199 D244	S193-R195 PolarHBondContact O-N 2.78Å; S193-R195 VanDerWaalsContact O-N 3.15Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.93Å; R195-I198 PolarHBondContact O-N 3.37Å; R195-R199 WeakPolarHBondContact O-CB 3.41Å; R195-R199 WeakPolarHBondContact O-CG 3.26Å; R195-R199 PolarHBondContact O-N 3.4Å; R195-D244 IonicContact CZ-OD2 3.22Å; R195-D244 VanDerWaalsContact CZ-OD2 3.22Å; R195-D244 IonicContact NE-OD1 3.56Å; R195-D244 IonicContact NE-OD2 2.75Å; R195-D244 PolarHBondContact NE-OD2 2.74Å; R195-D244 IonicContact NH2-OD1 3.78Å; R195-D244 IonicContact NH2-OD2 2.81Å; R195-D244 PolarHBondContact NH2-OD2 3.46Å
196	A	93.2	Very high	90	Very high	0 Å²	0	92 Å²	92	0%	0	46%	0.463	C	S	.	.	H	α-helix	trans	-60.2	-42.9	174.2	0	0	0	0	0	111.7	S193 I198 R199 S200 L206 P207	S193-A196 WeakPolarHBondContact O-CB 3.25Å; S193-A196 PolarHBondContact O-N 2.9Å; S193-A196 VanDerWaalsContact OG-CB 3.3Å; S193-A196 WeakPolarHBondContact OG-CB 3.24Å; S193-A196 PolarHBondContact OG-N 2.76Å; S193-A196 VanDerWaalsContact OG-N 3.1Å; A196-I198 PolarHBondContact O-N 2.8Å; A196-R199 PolarHBondContact O-N 3.43Å; A196-S200 WeakPolarHBondContact O-CB 3.37Å; A196-S200 PolarHBondContact O-N 3.48Å; A196-L206 HydrophobicContact CB-CD2 4.41Å; A196-P207 HydrophobicContact CB-CG 3.92Å
197	R	93.5	Very high	90.3	Very high	176 Å²	176	90.6 Å²	90.6	66%	0.664	45%	0.448	S	S	*	.	H	α-helix	trans	-61.1	-44.7	176.5	-67.3	177.6	64.9	-174.5	-0.6	112.6	S193 P194 R195 S200 W201	S193-R197 WeakPolarHBondContact O-CG 3.38Å; S193-R197 PolarHBondContact O-N 2.82Å; P194-R197 PolarHBondContact O-N 3.32Å; R195-R197 VanDerWaalsContact C-N 3.34Å; R195-R197 PolarHBondContact O-N 2.93Å; R197-S200 PolarHBondContact O-N 2.89Å; R197-W201 PolarHBondContact O-N 3.48Å
198	I	93.9	Very high	90.5	Very high	98 Å²	98	93.2 Å²	93.2	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-67	-41.9	177.5	-66.9	164	0	0	0	111.1	P194 R195 A196 S200 W201 M202	P194-I198 WeakPolarHBondContact O-CD1 3.28Å; P194-I198 VanDerWaalsContact O-CG1 3.29Å; P194-I198 WeakPolarHBondContact O-CG1 3.29Å; P194-I198 PolarHBondContact O-N 3.37Å; R195-I198 PolarHBondContact O-N 3.37Å; A196-I198 PolarHBondContact O-N 2.8Å; I198-S200 PolarHBondContact O-N 2.95Å; I198-W201 PolarHBondContact O-N 3.42Å; I198-M202 HydrophobicContact CG2-CE 4.18Å; I198-M202 WeakPolarHBondContact O-CG 3.38Å; I198-M202 PolarHBondContact O-N 3.09Å
199	R	92.7	Very high	90.7	Very high	64 Å²	64	92.9 Å²	92.9	24%	0.242	45%	0.445	C	S	.	.	H	α-helix	trans	-60.6	-44.1	174.3	-73.7	-179	72.5	-158.1	-0.3	111.6	R195 A196 W201 M202 G203 Y204 Y229 D244	R195-R199 WeakPolarHBondContact O-CB 3.41Å; R195-R199 WeakPolarHBondContact O-CG 3.26Å; R195-R199 PolarHBondContact O-N 3.4Å; A196-R199 PolarHBondContact O-N 3.43Å; R199-W201 PolarHBondContact O-N 3.18Å; R199-M202 HydrophobicContact CG-CE 4.38Å; R199-M202 CarbonylContact O-C 3.58Å; R199-M202 WeakPolarHBondContact O-CA 3.37Å; R199-M202 PolarHBondContact O-N 3.31Å; R199-G203 PolarHBondContact O-N 3.01Å; R199-Y204 HydrophobicContact CB-CD2 4.34Å; R199-Y204 WeakPolarHBondContact O-CB 3.19Å; R199-Y204 WeakPolarHBondContact O-CD2 3.43Å; R199-Y204 PolarHBondContact O-N 2.93Å; R199-Y204 VanDerWaalsContact O-N 3.15Å; R199-Y229 PolarHBondContact NH1-OH 3.03Å; R199-D244 IonicContact NH1-OD2 3.96Å
200	S	92.6	Very high	91.5	Very high	44 Å²	44	91.3 Å²	91.3	31%	0.308	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-39.3	177.8	178.3	0	0	0	0	113.1	A196 R197 I198 M202 G203 Y204 L206	A196-S200 WeakPolarHBondContact O-CB 3.37Å; A196-S200 PolarHBondContact O-N 3.48Å; R197-S200 PolarHBondContact O-N 2.89Å; I198-S200 PolarHBondContact O-N 2.95Å; S200-M202 PolarHBondContact O-N 2.96Å; S200-G203 PolarHBondContact O-N 2.89Å; S200-Y204 VanDerWaalsContact CA-O 3.31Å; S200-Y204 WeakPolarHBondContact CA-O 3.38Å; S200-L206 VanDerWaalsContact CB-CD2 3.48Å
201	W	93.9	Very high	92.2	Very high	220 Å²	220	83.8 Å²	83.8	83%	0.833	40%	0.396	S	S	*	.	H	α-helix	trans	-62.5	-26.5	172.7	179	59.6	0	0	0	113.5	R197 I198 R199 G203	R197-W201 PolarHBondContact O-N 3.48Å; I198-W201 PolarHBondContact O-N 3.42Å; R199-W201 PolarHBondContact O-N 3.18Å; W201-G203 VanDerWaalsContact C-N 3.3Å
202	M	94.6	Very high	92.5	Very high	113 Å²	113	79.3 Å²	79.3	56%	0.557	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	9	172.7	-61.6	-177	-60.4	0	0	113.8	I198 R199 S200 Y204	I198-M202 HydrophobicContact CG2-CE 4.18Å; I198-M202 WeakPolarHBondContact O-CG 3.38Å; I198-M202 PolarHBondContact O-N 3.09Å; R199-M202 HydrophobicContact CG-CE 4.38Å; R199-M202 CarbonylContact O-C 3.58Å; R199-M202 WeakPolarHBondContact O-CA 3.37Å; R199-M202 PolarHBondContact O-N 3.31Å; S200-M202 PolarHBondContact O-N 2.96Å; M202-Y204 HydrophobicContact CB-CD2 4.15Å; M202-Y204 HydrophobicContact CB-CE2 4.28Å; M202-Y204 HydrophobicContact CE-CE2 4.49Å
203	G	92	Very high	92.8	Very high	71 Å²	71	74.7 Å²	74.7	73%	0.732	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	9.1	176.4	0	0	0	0	0	115.9	R199 S200 W201	R199-G203 PolarHBondContact O-N 3.01Å; S200-G203 PolarHBondContact O-N 2.89Å; W201-G203 VanDerWaalsContact C-N 3.3Å
204	Y	90	Very high	93	Very high	135 Å²	135	75.6 Å²	75.6	53%	0.529	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-81.8	158.3	170.1	-65	-84.9	0	0	0	111.6	R199 S200 M202	R199-Y204 HydrophobicContact CB-CD2 4.34Å; R199-Y204 WeakPolarHBondContact O-CB 3.19Å; R199-Y204 WeakPolarHBondContact O-CD2 3.43Å; R199-Y204 PolarHBondContact O-N 2.93Å; R199-Y204 VanDerWaalsContact O-N 3.15Å; S200-Y204 VanDerWaalsContact CA-O 3.31Å; S200-Y204 WeakPolarHBondContact CA-O 3.38Å; M202-Y204 HydrophobicContact CB-CD2 4.15Å; M202-Y204 HydrophobicContact CB-CE2 4.28Å; M202-Y204 HydrophobicContact CE-CE2 4.49Å
205	E	90.7	Very high	93.3	Very high	146 Å²	146	70.7 Å²	70.7	68%	0.682	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-69.2	150.4	174.8	-61	-169.7	156.9	0	0	112.3	Y229	E205-Y229 WeakPolarHBondContact O-CE1 3.26Å
206	L	92.1	Very high	93.5	Very high	65 Å²	65	67.2 Å²	67.2	34%	0.34	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-77	150.9	170.9	-76.4	167.9	0	0	0	109.8	Y192 A196 S200 F208	Y192-L206 HydrophobicContact CD1-CB 4.48Å; Y192-L206 HydrophobicContact CD1-CD2 3.99Å; Y192-L206 HydrophobicContact CD2-CD1 4.33Å; Y192-L206 HydrophobicContact CD2-CD2 4.32Å; Y192-L206 HydrophobicContact CE1-CB 4.09Å; Y192-L206 HydrophobicContact CE1-CD1 4.34Å; Y192-L206 HydrophobicContact CE1-CD2 4.33Å; Y192-L206 HydrophobicContact CE1-CG 4.49Å; Y192-L206 HydrophobicContact CE2-CD1 3.93Å; Y192-L206 HydrophobicContact CG-CD2 3.99Å; A196-L206 HydrophobicContact CB-CD2 4.41Å; S200-L206 VanDerWaalsContact CB-CD2 3.48Å; L206-F208 PolarHBondContact O-N 3.04Å
207	P	93.1	Very high	93.5	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.019	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-66.1	137.2	173.1	29.8	-33.9	0	0	0	109.9	Y192 A196 D209 D227 Y228 Y229	Y192-P207 HydrophobicContact CD1-CG 4.1Å; Y192-P207 HydrophobicContact CE1-CG 4.49Å; A196-P207 HydrophobicContact CB-CG 3.92Å; P207-D209 PolarHBondContact O-N 3.19Å; P207-D227 HydrophobicContact CB-CB 3.84Å; P207-D227 HydrophobicContact CG-CB 3.99Å; P207-Y228 CarbonylContact C-O 3.54Å; P207-Y228 WeakPolarHBondContact CA-O 3.32Å; P207-Y228 WeakPolarHBondContact CB-O 3.46Å; P207-Y229 HydrophobicContact CB-CD1 4.07Å; P207-Y229 HydrophobicContact CB-CD2 4.38Å; P207-Y229 HydrophobicContact CB-CE1 3.89Å; P207-Y229 HydrophobicContact CB-CE2 4.19Å; P207-Y229 HydrophobicContact CB-CG 4.3Å; P207-Y229 HydrophobicContact CG-CE1 4.18Å
208	F	90.3	Very high	93.5	Very high	110 Å²	110	62.5 Å²	62.5	48%	0.482	31%	0.311	S	S	.	.	S	Bend	trans	-72.4	-23	177.7	65.7	-100.4	0	0	0	111.9	L206 Y228 T241	L206-F208 PolarHBondContact O-N 3.04Å; F208-Y228 WeakPolarHBondContact CD1-O 3.41Å; F208-Y228 PolarHBondContact N-O 3.38Å; F208-T241 HydrophobicContact CE1-CG2 4.21Å; F208-T241 HydrophobicContact CZ-CG2 3.88Å
209	D	90.9	Very high	93.3	Very high	45 Å²	45	61.2 Å²	61.2	24%	0.241	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.4	175.1	-164.5	2	0	0	0	111.2	P207 H211 Y228	P207-D209 PolarHBondContact O-N 3.19Å; D209-H211 IonicContact OD1-CE1 2.78Å; D209-H211 IonicContact OD1-ND1 2.93Å; D209-H211 IonicContact OD2-CE1 3.24Å; D209-H211 PolarHBondContact OD2-CE1 2.53Å; D209-H211 IonicContact OD2-ND1 3.98Å; D209-H211 PolarHBondContact OD2-ND1 2.75Å; D209-Y228 HydrophobicContact CB-CD2 4.2Å; D209-Y228 PolarHBondContact O-N 2.94Å
210	R	93.8	Very high	93.4	Very high	18 Å²	18	62 Å²	62	7%	0.068	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.9	175.5	177.5	-164.7	161.6	-165	-6.6	109.4	K188 E191 D212 V225 I226	K188-R210 CarbonylContact C-O 3.52Å; K188-R210 WeakPolarHBondContact CA-O 3.47Å; K188-R210 HydrophobicContact CB-CG 4.4Å; K188-R210 PolarHBondContact N-O 2.73Å; E191-R210 WeakPolarHBondContact O-CD 3.46Å; E191-R210 PolarHBondContact O-NH1 3.38Å; E191-R210 IonicContact OE2-NH1 3.04Å; R210-D212 IonicContact CZ-OD1 3.42Å; R210-D212 VanDerWaalsContact CZ-OD1 3.32Å; R210-D212 IonicContact NE-OD1 3.78Å; R210-D212 PolarHBondContact NE-OD1 3.09Å; R210-D212 VanDerWaalsContact NE-OD1 3.17Å; R210-D212 VanDerWaalsContact NH2-CG 3.31Å; R210-D212 IonicContact NH2-OD1 3.26Å; R210-D212 PolarHBondContact NH2-OD1 3.08Å; R210-D212 IonicContact NH2-OD2 3.23Å; R210-D212 PolarHBondContact NH2-OD2 3.01Å; R210-D212 VanDerWaalsContact NH2-OD2 3.14Å; R210-V225 HydrophobicContact CG-CG1 4.38Å; R210-I226 CarbonylContact C-O 3.57Å; R210-I226 WeakPolarHBondContact CA-O 3.41Å
211	H	94.8	Very high	93.5	Very high	34 Å²	34	65.4 Å²	65.4	16%	0.157	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142	171.4	-79.1	68.3	0	0	0	111.7	G186 D209 I226 Y228	G186-H211 WeakPolarHBondContact O-CA 3.22Å; D209-H211 IonicContact OD1-CE1 2.78Å; D209-H211 IonicContact OD1-ND1 2.93Å; D209-H211 IonicContact OD2-CE1 3.24Å; D209-H211 PolarHBondContact OD2-CE1 2.53Å; D209-H211 IonicContact OD2-ND1 3.98Å; D209-H211 PolarHBondContact OD2-ND1 2.75Å; H211-I226 HydrophobicContact CB-CB 4.43Å; H211-I226 HydrophobicContact CB-CD1 4.48Å; H211-I226 PolarHBondContact N-O 3.27Å; H211-I226 PolarHBondContact O-N 3.44Å; H211-Y228 HydrophobicContact CB-CE2 4.26Å; H211-Y228 AromaticContact ND1-CE2 3.74Å
212	D	95.4	Very high	93.6	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.8	162.8	-78.1	11.1	0	0	0	107.7	G186 K188 R210 R223 Y224	G186-D212 PolarHBondContact N-O 2.98Å; G186-D212 PolarHBondContact O-N 3.16Å; K188-D212 HydrophobicContact CD-CB 4.27Å; K188-D212 WeakPolarHBondContact CE-OD2 3.41Å; K188-D212 IonicContact NZ-OD2 2.73Å; K188-D212 PolarHBondContact NZ-OD2 2.95Å; R210-D212 IonicContact CZ-OD1 3.42Å; R210-D212 VanDerWaalsContact CZ-OD1 3.32Å; R210-D212 IonicContact NE-OD1 3.78Å; R210-D212 PolarHBondContact NE-OD1 3.09Å; R210-D212 VanDerWaalsContact NE-OD1 3.17Å; R210-D212 VanDerWaalsContact NH2-CG 3.31Å; R210-D212 IonicContact NH2-OD1 3.26Å; R210-D212 PolarHBondContact NH2-OD1 3.08Å; R210-D212 IonicContact NH2-OD2 3.23Å; R210-D212 PolarHBondContact NH2-OD2 3.01Å; R210-D212 VanDerWaalsContact NH2-OD2 3.14Å; D212-R223 HydrophobicContact CB-CG 4.43Å; D212-R223 IonicContact OD2-CZ 2.76Å; D212-R223 IonicContact OD2-NH1 2.82Å; D212-R223 PolarHBondContact OD2-NH1 2.97Å; D212-Y224 CarbonylContact C-O 3.58Å; D212-Y224 VanDerWaalsContact CA-O 3.28Å; D212-Y224 WeakPolarHBondContact CA-O 3.47Å
213	W	96.4	Very high	93.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.3	175.5	-74.8	24.2	0	0	0	109.6	I109 N158 A161 W162 I165 L182 F185 I215 R223 Y224 I226	I109-W213 HydrophobicContact CD1-CH2 3.75Å; I109-W213 HydrophobicContact CD1-CZ3 3.92Å; N158-W213 HydrophobicContact CB-CH2 4.39Å; A161-W213 HydrophobicContact CB-CH2 4.14Å; A161-W213 HydrophobicContact CB-CZ2 4.29Å; W162-W213 HydrophobicContact CB-CZ3 4.23Å; W162-W213 HydrophobicContact CE3-CZ3 4.21Å; I165-W213 HydrophobicContact CD1-CB 4.35Å; I165-W213 HydrophobicContact CD1-CD2 4.16Å; I165-W213 HydrophobicContact CD1-CE3 3.47Å; I165-W213 VanDerWaalsContact CD1-CE3 3.47Å; I165-W213 HydrophobicContact CD1-CZ3 4.08Å; L182-W213 HydrophobicContact CD1-CB 4.07Å; L182-W213 HydrophobicContact CD1-CD2 4.11Å; L182-W213 HydrophobicContact CD1-CE3 3.86Å; L182-W213 HydrophobicContact CD1-CG 4.22Å; L182-W213 HydrophobicContact CD2-CD2 4.45Å; L182-W213 HydrophobicContact CD2-CE3 4.01Å; L182-W213 HydrophobicContact CD2-CZ3 4.11Å; F185-W213 VanDerWaalsContact CB-CD1 3.45Å; F185-W213 HydrophobicContact CB-CD2 4.3Å; F185-W213 HydrophobicContact CB-CG 4Å; W213-I215 HydrophobicContact CB-CD1 4.41Å; W213-R223 CarbonylContact O-C 3.4Å; W213-R223 WeakPolarHBondContact O-CA 3.49Å; W213-Y224 PolarHBondContact N-O 2.9Å; W213-Y224 PolarHBondContact O-N 3.49Å; W213-I226 HydrophobicContact CB-CD1 4.27Å; W213-I226 HydrophobicContact CD2-CD1 3.65Å; W213-I226 HydrophobicContact CE3-CD1 4.36Å; W213-I226 HydrophobicContact CG-CD1 3.59Å; W213-I226 HydrophobicContact CZ2-CD1 4.35Å
214	I	96.6	Very high	93.9	Very high	20 Å²	20	50.4 Å²	50.4	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.1	177.9	-45.5	-63.5	0	0	0	108.6	I183 R184 E221 R223	I183-I214 HydrophobicContact CB-CB 4.49Å; I183-I214 WeakPolarHBondContact CB-O 3.3Å; I183-I214 HydrophobicContact CD1-CG2 4.08Å; I183-I214 PolarHBondContact N-O 3.09Å; R184-I214 HydrophobicContact CG-CB 3.86Å; R184-I214 HydrophobicContact CG-CG1 3.75Å; R184-I214 PolarHBondContact N-O 3.47Å; R184-I214 PolarHBondContact O-N 2.74Å; I214-E221 HydrophobicContact CG2-CB 4.04Å; I214-E221 HydrophobicContact CG2-CG 4.28Å; I214-R223 HydrophobicContact CD1-CB 3.72Å; I214-R223 HydrophobicContact CD1-CG 3.6Å
215	I	96.4	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.9	-175.4	-55.4	-48.8	0	0	0	109.1	W162 I165 P180 S181 L182 W213 E221 V222 Y224	W162-I215 HydrophobicContact CZ3-CD1 3.79Å; I165-I215 HydrophobicContact CD1-CD1 4.24Å; I165-I215 HydrophobicContact CD1-CG1 4.45Å; I165-I215 HydrophobicContact CG2-CD1 4.45Å; I165-I215 HydrophobicContact CG2-CG1 4.07Å; P180-I215 HydrophobicContact CB-CG2 3.6Å; S181-I215 CarbonylContact O-C 3.53Å; S181-I215 WeakPolarHBondContact O-CA 3.43Å; L182-I215 HydrophobicContact CB-CD1 4.24Å; L182-I215 HydrophobicContact CD1-CD1 3.61Å; W213-I215 HydrophobicContact CB-CD1 4.41Å; I215-E221 CarbonylContact O-C 3.59Å; I215-E221 WeakPolarHBondContact O-CA 3.02Å; I215-V222 PolarHBondContact N-O 3.05Å; I215-V222 PolarHBondContact O-N 2.85Å; I215-Y224 HydrophobicContact CB-CD2 4.42Å; I215-Y224 HydrophobicContact CB-CE2 4.48Å; I215-Y224 HydrophobicContact CG1-CD2 3.69Å; I215-Y224 HydrophobicContact CG1-CE2 4.07Å
216	N	95.8	Very high	94.5	Very high	38 Å²	38	37.5 Å²	37.5	20%	0.203	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	107.8	165.3	179.6	17.2	0	0	0	108.8	A112 P180 S181 I183 C218 G219	A112-N216 HydrophobicContact CB-CB 3.82Å; P180-N216 WeakPolarHBondContact CA-O 3.36Å; S181-N216 PolarHBondContact N-O 2.57Å; S181-N216 PolarHBondContact O-N 3.14Å; I183-N216 HydrophobicContact CD1-CB 3.79Å; I183-N216 HydrophobicContact CG1-CB 3.7Å; N216-C218 PolarHBondContact OD1-N 2.96Å; N216-G219 WeakPolarHBondContact OD1-CA 3.5Å; N216-G219 PolarHBondContact OD1-N 3.32Å
217	R	94.6	Very high	94.7	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.045	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	85.8	165.7	-175	-166.2	-60	172.8	0.4	108.3	E169 H172 E175 C176 G219 T220 V222	E169-R217 IonicContact OE1-CZ 3.86Å; E169-R217 IonicContact OE1-NE 3.54Å; E169-R217 IonicContact OE1-NH2 3.14Å; E169-R217 PolarHBondContact OE1-NH2 3.38Å; E169-R217 IonicContact OE2-CZ 3.17Å; E169-R217 IonicContact OE2-NE 3.48Å; E169-R217 PolarHBondContact OE2-NE 2.94Å; E169-R217 IonicContact OE2-NH2 3.32Å; E169-R217 PolarHBondContact OE2-NH2 3.25Å; H172-R217 PolarHBondContact CD2-NH1 3.35Å; H172-R217 PolarHBondContact CD2-NH2 3.05Å; H172-R217 PolarHBondContact CE1-NH1 3.07Å; H172-R217 PolarHBondContact ND1-NH1 3.23Å; H172-R217 PolarHBondContact NE2-NH1 3.11Å; H172-R217 PolarHBondContact NE2-NH2 3.12Å; E175-R217 WeakPolarHBondContact OE2-CD 3.39Å; E175-R217 IonicContact OE2-CZ 3.18Å; E175-R217 IonicContact OE2-NH1 2.7Å; E175-R217 PolarHBondContact OE2-NH1 3.47Å; E175-R217 VanDerWaalsContact OE2-NH1 3.1Å; C176-R217 HydrophobicContact CB-CG 3.79Å; R217-G219 VanDerWaalsContact C-N 3.27Å; R217-G219 PolarHBondContact O-N 3.05Å; R217-G219 VanDerWaalsContact O-N 3.1Å; R217-T220 PolarHBondContact N-O 3.27Å; R217-T220 WeakPolarHBondContact O-CB 3.46Å; R217-T220 PolarHBondContact O-N 2.69Å; R217-V222 HydrophobicContact CB-CG2 4.21Å
218	C	92.1	Very high	94.6	Very high	65 Å²	65	34.7 Å²	34.7	44%	0.439	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	42	174	-71.1	0	0	0	0	115.2	C176 C178 N216	C176-C218 WeakPolarHBondContact CA-SG 3.32Å; C176-C218 HydrophobicContact CB-CB 3.76Å; C176-C218 WeakPolarHBondContact CB-SG 3.22Å; C176-C218 WeakPolarHBondContact SG-CB 3.29Å; C176-C218 PolarHBondContact SG-N 3.45Å; C176-C218 CovalentContact SG-SG 2.04Å; C176-C218 PolarHBondContact SG-SG 3.46Å; C178-C218 PolarHBondContact SG-SG 3.33Å; N216-C218 PolarHBondContact OD1-N 2.96Å
219	G	91.4	Very high	94.6	Very high	71 Å²	71	30 Å²	30	73%	0.732	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.4	-10.3	-178.4	0	0	0	0	0	114.8	N216 R217	N216-G219 WeakPolarHBondContact OD1-CA 3.5Å; N216-G219 PolarHBondContact OD1-N 3.32Å; R217-G219 VanDerWaalsContact C-N 3.27Å; R217-G219 PolarHBondContact O-N 3.05Å; R217-G219 VanDerWaalsContact O-N 3.1Å
220	T	93.1	Very high	94.4	Very high	81 Å²	81	32.3 Å²	32.3	50%	0.497	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.6	174.5	-54.4	0	0	0	0	110.4	R217 V222	R217-T220 PolarHBondContact N-O 3.27Å; R217-T220 WeakPolarHBondContact O-CB 3.46Å; R217-T220 PolarHBondContact O-N 2.69Å; T220-V222 HydrophobicContact CG2-CG2 4.06Å; T220-V222 PolarHBondContact O-N 2.92Å
221	E	95.4	Very high	93.6	Very high	115 Å²	115	33.1 Å²	33.1	54%	0.537	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.8	168.5	-66.3	-154	157.2	0	0	110.2	I183 R184 I214 I215	I183-E221 HydrophobicContact CD1-CG 3.67Å; I183-E221 WeakPolarHBondContact CD1-OE1 3.29Å; R184-E221 IonicContact CZ-OE2 3.55Å; R184-E221 IonicContact NH2-OE1 3.51Å; R184-E221 PolarHBondContact NH2-OE1 2.9Å; R184-E221 IonicContact NH2-OE2 2.68Å; R184-E221 PolarHBondContact NH2-OE2 3.43Å; I214-E221 HydrophobicContact CG2-CB 4.04Å; I214-E221 HydrophobicContact CG2-CG 4.28Å; I215-E221 CarbonylContact O-C 3.59Å; I215-E221 WeakPolarHBondContact O-CA 3.02Å
222	V	95.8	Very high	92.7	Very high	17 Å²	17	33.8 Å²	33.8	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.6	175.1	-176.1	0	0	0	0	109	I215 R217 T220 Y224	I215-V222 PolarHBondContact N-O 3.05Å; I215-V222 PolarHBondContact O-N 2.85Å; R217-V222 HydrophobicContact CB-CG2 4.21Å; T220-V222 HydrophobicContact CG2-CG2 4.06Å; T220-V222 PolarHBondContact O-N 2.92Å; V222-Y224 HydrophobicContact CB-CE2 4.37Å; V222-Y224 HydrophobicContact CG1-CD2 4.21Å; V222-Y224 HydrophobicContact CG1-CE2 3.7Å
223	R	96.9	Very high	91.3	Very high	71 Å²	71	41.9 Å²	41.9	27%	0.268	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.9	176.1	-177.6	167.7	61.7	128	-3.9	111.1	D212 W213 I214 P247 A248 D250	D212-R223 HydrophobicContact CB-CG 4.43Å; D212-R223 IonicContact OD2-CZ 2.76Å; D212-R223 IonicContact OD2-NH1 2.82Å; D212-R223 PolarHBondContact OD2-NH1 2.97Å; W213-R223 CarbonylContact O-C 3.4Å; W213-R223 WeakPolarHBondContact O-CA 3.49Å; I214-R223 HydrophobicContact CD1-CB 3.72Å; I214-R223 HydrophobicContact CD1-CG 3.6Å; R223-P247 CarbonylContact O-C 3.55Å; R223-A248 HydrophobicContact CB-CB 3.96Å; R223-A248 HydrophobicContact CG-CB 3.94Å; R223-A248 WeakPolarHBondContact O-CB 3.47Å; R223-A248 PolarHBondContact O-N 2.61Å; R223-D250 IonicContact CZ-OD2 3.66Å; R223-D250 IonicContact NE-OD2 2.6Å; R223-D250 PolarHBondContact NE-OD2 3.43Å; R223-D250 IonicContact NH2-OD2 3.24Å; R223-D250 PolarHBondContact NH2-OD2 2.76Å
224	Y	97.4	Very high	89.6	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144	169.7	-80.3	-96.3	0	0	0	110.3	I165 W168 E169 D212 W213 I215 V222 V245 R246 P247	I165-Y224 HydrophobicContact CD1-CG 4.2Å; I165-Y224 HydrophobicContact CG1-CD1 3.87Å; I165-Y224 HydrophobicContact CG1-CD2 4.47Å; I165-Y224 HydrophobicContact CG1-CE1 4.33Å; I165-Y224 HydrophobicContact CG1-CG 3.95Å; I165-Y224 HydrophobicContact CG2-CD2 4.28Å; I165-Y224 HydrophobicContact CG2-CE1 4.41Å; I165-Y224 HydrophobicContact CG2-CE2 4.06Å; W168-Y224 HydrophobicContact CB-CE1 3.65Å; W168-Y224 WeakPolarHBondContact CB-OH 3.17Å; W168-Y224 AromaticContact CD1-CE1 3.94Å; W168-Y224 AromaticContact CG-CE1 3.86Å; W168-Y224 HydrophobicContact CG-CE1 3.86Å; E169-Y224 WeakPolarHBondContact OE1-CE2 3.26Å; E169-Y224 PolarHBondContact OE1-OH 3.41Å; D212-Y224 CarbonylContact C-O 3.58Å; D212-Y224 VanDerWaalsContact CA-O 3.28Å; D212-Y224 WeakPolarHBondContact CA-O 3.47Å; W213-Y224 PolarHBondContact N-O 2.9Å; W213-Y224 PolarHBondContact O-N 3.49Å; I215-Y224 HydrophobicContact CB-CD2 4.42Å; I215-Y224 HydrophobicContact CB-CE2 4.48Å; I215-Y224 HydrophobicContact CG1-CD2 3.69Å; I215-Y224 HydrophobicContact CG1-CE2 4.07Å; V222-Y224 HydrophobicContact CB-CE2 4.37Å; V222-Y224 HydrophobicContact CG1-CD2 4.21Å; V222-Y224 HydrophobicContact CG1-CE2 3.7Å; Y224-V245 HydrophobicContact CD1-CG1 4.2Å; Y224-R246 VanDerWaalsContact CD1-C 3.48Å; Y224-P247 HydrophobicContact CD1-CG 4.38Å; Y224-P247 HydrophobicContact CE1-CB 4.33Å; Y224-P247 HydrophobicContact CE1-CG 3.65Å
225	V	96.8	Very high	88	Confident	10 Å²	10	50.3 Å²	50.3	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.9	168.6	-177	0	0	0	0	107.8	R210 R246 A248	R210-V225 HydrophobicContact CG-CG1 4.38Å; V225-R246 PolarHBondContact N-O 2.93Å; V225-R246 PolarHBondContact O-N 3.45Å; V225-A248 HydrophobicContact CG2-CB 4.03Å
226	I	96.3	Very high	86.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.8	177.6	-58	153.2	0	0	0	106.7	A161 I165 R210 H211 W213 Y228 V245	A161-I226 HydrophobicContact CB-CD1 4.07Å; A161-I226 HydrophobicContact CB-CG2 4.43Å; I165-I226 HydrophobicContact CD1-CD1 4.41Å; R210-I226 CarbonylContact C-O 3.57Å; R210-I226 WeakPolarHBondContact CA-O 3.41Å; H211-I226 HydrophobicContact CB-CB 4.43Å; H211-I226 HydrophobicContact CB-CD1 4.48Å; H211-I226 PolarHBondContact N-O 3.27Å; H211-I226 PolarHBondContact O-N 3.44Å; W213-I226 HydrophobicContact CB-CD1 4.27Å; W213-I226 HydrophobicContact CD2-CD1 3.65Å; W213-I226 HydrophobicContact CE3-CD1 4.36Å; W213-I226 HydrophobicContact CG-CD1 3.59Å; W213-I226 HydrophobicContact CZ2-CD1 4.35Å; I226-Y228 HydrophobicContact CB-CE2 4.34Å; I226-Y228 HydrophobicContact CG2-CD1 4.44Å; I226-Y228 HydrophobicContact CG2-CD2 3.99Å; I226-Y228 HydrophobicContact CG2-CE1 3.97Å; I226-Y228 HydrophobicContact CG2-CE2 3.48Å; I226-Y228 VanDerWaalsContact CG2-CE2 3.48Å; I226-Y228 HydrophobicContact CG2-CG 4.45Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.46Å; I226-V245 HydrophobicContact CB-CG2 4.48Å; I226-V245 HydrophobicContact CG1-CG1 4.11Å; I226-V245 HydrophobicContact CG1-CG2 4.06Å; I226-V245 HydrophobicContact CG2-CG2 4.04Å
227	D	95.3	Very high	84.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.4	168.1	-60.1	-44.1	0	0	0	108.4	S193 P207 Y229 D244 R246	S193-D227 WeakPolarHBondContact CB-OD1 3.36Å; S193-D227 PolarHBondContact OG-OD1 3.46Å; S193-D227 PolarHBondContact OG-OD2 3.31Å; P207-D227 HydrophobicContact CB-CB 3.84Å; P207-D227 HydrophobicContact CG-CB 3.99Å; D227-Y229 HydrophobicContact CB-CD2 4.35Å; D227-Y229 HydrophobicContact CB-CE2 3.46Å; D227-Y229 VanDerWaalsContact CB-CE2 3.46Å; D227-Y229 PolarHBondContact OD2-OH 3.09Å; D227-D244 HydrophobicContact CB-CB 4.37Å; D227-D244 PolarHBondContact N-O 3.03Å; D227-D244 VanDerWaalsContact N-O 3.15Å; D227-D244 PolarHBondContact O-N 3.23Å; D227-R246 IonicContact OD1-NH2 2.69Å; D227-R246 IonicContact OD2-CZ 3.59Å; D227-R246 IonicContact OD2-NH1 2.81Å; D227-R246 PolarHBondContact OD2-NH1 3.27Å; D227-R246 IonicContact OD2-NH2 3.98Å; D227-R246 PolarHBondContact OD2-NH2 3.16Å
228	Y	91.6	Very high	82.7	Confident	10 Å²	10	69.2 Å²	69.2	4%	0.039	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122	176.3	-61.2	-90.7	0	0	0	110.3	N157 P207 F208 D209 H211 I226 L243	N157-Y228 HydrophobicContact CB-CE1 4.38Å; P207-Y228 CarbonylContact C-O 3.54Å; P207-Y228 WeakPolarHBondContact CA-O 3.32Å; P207-Y228 WeakPolarHBondContact CB-O 3.46Å; F208-Y228 WeakPolarHBondContact CD1-O 3.41Å; F208-Y228 PolarHBondContact N-O 3.38Å; D209-Y228 HydrophobicContact CB-CD2 4.2Å; D209-Y228 PolarHBondContact O-N 2.94Å; H211-Y228 HydrophobicContact CB-CE2 4.26Å; H211-Y228 AromaticContact ND1-CE2 3.74Å; I226-Y228 HydrophobicContact CB-CE2 4.34Å; I226-Y228 HydrophobicContact CG2-CD1 4.44Å; I226-Y228 HydrophobicContact CG2-CD2 3.99Å; I226-Y228 HydrophobicContact CG2-CE1 3.97Å; I226-Y228 HydrophobicContact CG2-CE2 3.48Å; I226-Y228 VanDerWaalsContact CG2-CE2 3.48Å; I226-Y228 HydrophobicContact CG2-CG 4.45Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.46Å; Y228-L243 HydrophobicContact CD1-CD2 4.05Å; Y228-L243 HydrophobicContact CD1-CG 4.02Å; Y228-L243 HydrophobicContact CE1-CD2 3.58Å; Y228-L243 HydrophobicContact CE1-CG 4.08Å
229	Y	90.8	Very high	81.3	Confident	12 Å²	12	70 Å²	70	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152.9	177	-56.6	-99.7	0	0	0	110.2	R199 E205 P207 D227 T241 I242 D244	R199-Y229 PolarHBondContact NH1-OH 3.03Å; E205-Y229 WeakPolarHBondContact O-CE1 3.26Å; P207-Y229 HydrophobicContact CB-CD1 4.07Å; P207-Y229 HydrophobicContact CB-CD2 4.38Å; P207-Y229 HydrophobicContact CB-CE1 3.89Å; P207-Y229 HydrophobicContact CB-CE2 4.19Å; P207-Y229 HydrophobicContact CB-CG 4.3Å; P207-Y229 HydrophobicContact CG-CE1 4.18Å; D227-Y229 HydrophobicContact CB-CD2 4.35Å; D227-Y229 HydrophobicContact CB-CE2 3.46Å; D227-Y229 VanDerWaalsContact CB-CE2 3.46Å; D227-Y229 PolarHBondContact OD2-OH 3.09Å; Y229-T241 WeakPolarHBondContact O-CA 3.28Å; Y229-I242 PolarHBondContact N-O 2.81Å; Y229-I242 PolarHBondContact O-N 3.45Å; Y229-D244 HydrophobicContact CD2-CB 4.5Å; Y229-D244 HydrophobicContact CE2-CB 3.81Å
230	D	85.3	Confident	80.2	Confident	92 Å²	92	69.1 Å²	69.1	49%	0.492	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.1	169	-159.8	-27.8	0	0	0	109.3	G232	D230-G232 PolarHBondContact OD1-N 2.98Å
231	G	76.5	Confident	79.6	Confident	35 Å²	35	65.9 Å²	65.9	36%	0.361	34%	0.337	S	S	.	.			trans	-101.7	-2.9	178	0	0	0	0	0	113.7	F240	G231-F240 VanDerWaalsContact CA-O 3.3Å; G231-F240 WeakPolarHBondContact CA-O 3.5Å; G231-F240 PolarHBondContact N-O 3.11Å
232	G	76	Confident	79.2	Confident	48 Å²	48	65 Å²	65	50%	0.495	34%	0.335	S	S	.	.			trans	83.2	-130.6	-177.2	0	0	0	0	0	112.8	D230	D230-G232 PolarHBondContact OD1-N 2.98Å
233	E	66.4	Low	79	Confident	178 Å²	178	65.9 Å²	65.9	83%	0.832	34%	0.339	S	S	*	.	S	Bend	trans	-65.1	139.9	-171.9	-64.3	-171.4	167	0	0	113.2	N235	E233-N235 PolarHBondContact O-N 3Å
234	V	61.9	Low	78.9	Confident	97 Å²	97	63.5 Å²	63.5	59%	0.588	33%	0.331	S	S	*	.			trans	-68.7	114.2	-176	-175.4	0	0	0	0	110.6	F240	V234-F240 HydrophobicContact CG2-CB 4.23Å
235	N	62.5	Low	78.9	Confident	103 Å²	103	64 Å²	64	55%	0.551	33%	0.334	S	S	*	.			trans	-68.9	163.1	173.2	-76.2	-72	0	0	0	112.2	E233 D237 Y238 Q239	E233-N235 PolarHBondContact O-N 3Å; N235-D237 PolarHBondContact O-N 3.21Å; N235-Y238 WeakPolarHBondContact O-CA 3.45Å; N235-Y238 PolarHBondContact O-N 2.91Å; N235-Q239 PolarHBondContact N-O 3.22Å; N235-Q239 PolarHBondContact ND2-O 3.43Å
236	K	57.2	Low	78.8	Confident	201 Å²	201	64 Å²	64	87%	0.874	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.1	-178.2	-66.8	179.2	-179.2	174.7	0	114.3	Y238	K236-Y238 VanDerWaalsContact C-N 3.3Å
237	D	59.8	Low	78.9	Confident	115 Å²	115	64 Å²	64	62%	0.615	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	13	178.1	-56.6	-59.9	0	0	0	113.7	N235 Q239	N235-D237 PolarHBondContact O-N 3.21Å; D237-Q239 HydrophobicContact CB-CG 4.32Å; D237-Q239 PolarHBondContact O-N 2.92Å
238	Y	58.2	Low	78.9	Confident	132 Å²	132	64.1 Å²	64.1	52%	0.518	33%	0.334	S	S	.	.	S	Bend	trans	61	20.4	-174.3	-58.7	-94.4	0	0	0	114.2	N235 K236 F240	N235-Y238 WeakPolarHBondContact O-CA 3.45Å; N235-Y238 PolarHBondContact O-N 2.91Å; K236-Y238 VanDerWaalsContact C-N 3.3Å; Y238-F240 PolarHBondContact O-N 3.44Å
239	Q	62.2	Low	79.1	Confident	81 Å²	81	69 Å²	69	38%	0.379	36%	0.36	S	S	.	.			trans	-86.1	109.6	175.8	-69	-178.1	-36.6	0	0	110.7	Q160 N235 D237	Q160-Q239 VanDerWaalsContact CD-NE2 3.33Å; N235-Q239 PolarHBondContact N-O 3.22Å; N235-Q239 PolarHBondContact ND2-O 3.43Å; D237-Q239 HydrophobicContact CB-CG 4.32Å; D237-Q239 PolarHBondContact O-N 2.92Å
240	F	69.1	Low	79.1	Confident	53 Å²	53	72.5 Å²	72.5	23%	0.232	38%	0.38	C	S	.	.			trans	-122.3	-0.3	171.8	69.5	-81.6	0	0	0	112.4	I153 G231 V234 Y238	I153-F240 HydrophobicContact CB-CE1 4.2Å; I153-F240 HydrophobicContact CD1-CE1 3.83Å; I153-F240 HydrophobicContact CG1-CE1 3.91Å; I153-F240 HydrophobicContact CG2-CE1 3.33Å; I153-F240 HydrophobicContact CG2-CZ 3.43Å; I153-F240 VanDerWaalsContact CG2-CZ 3.43Å; G231-F240 VanDerWaalsContact CA-O 3.3Å; G231-F240 WeakPolarHBondContact CA-O 3.5Å; G231-F240 PolarHBondContact N-O 3.11Å; V234-F240 HydrophobicContact CG2-CB 4.23Å; Y238-F240 PolarHBondContact O-N 3.44Å
241	T	79.9	Confident	79.5	Confident	12 Å²	12	70.4 Å²	70.4	7%	0.074	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.8	177.6	66.4	0	0	0	0	110.9	N157 F208 Y229	N157-T241 WeakPolarHBondContact ND2-CG2 3.47Å; N157-T241 PolarHBondContact OD1-OG1 3.06Å; F208-T241 HydrophobicContact CE1-CG2 4.21Å; F208-T241 HydrophobicContact CZ-CG2 3.88Å; Y229-T241 WeakPolarHBondContact O-CA 3.28Å
242	I	87.9	Confident	80.4	Confident	97 Å²	97	76 Å²	76	50%	0.497	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	117.6	168.3	-62.2	171.4	0	0	0	107.3	Y229	Y229-I242 PolarHBondContact N-O 2.81Å; Y229-I242 PolarHBondContact O-N 3.45Å
243	L	92.1	Very high	81.2	Confident	35 Å²	35	76.2 Å²	76.2	18%	0.183	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.6	180	-59.1	91	0	0	0	111.2	Q160 A161 Y228 V245	Q160-L243 HydrophobicContact CB-CD1 4.21Å; Q160-L243 HydrophobicContact CB-CD2 4.21Å; A161-L243 HydrophobicContact CB-CD2 3.82Å; Y228-L243 HydrophobicContact CD1-CD2 4.05Å; Y228-L243 HydrophobicContact CD1-CG 4.02Å; Y228-L243 HydrophobicContact CE1-CD2 3.58Å; Y228-L243 HydrophobicContact CE1-CG 4.08Å; L243-V245 HydrophobicContact CB-CG2 4Å; L243-V245 HydrophobicContact CD2-CG2 4.49Å
244	D	94.1	Very high	82.6	Confident	21 Å²	21	67.9 Å²	67.9	11%	0.112	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	87.2	168.2	-168.6	-32.4	0	0	0	109.1	R195 R199 D227 Y229 R246	R195-D244 IonicContact CZ-OD2 3.22Å; R195-D244 VanDerWaalsContact CZ-OD2 3.22Å; R195-D244 IonicContact NE-OD1 3.56Å; R195-D244 IonicContact NE-OD2 2.75Å; R195-D244 PolarHBondContact NE-OD2 2.74Å; R195-D244 IonicContact NH2-OD1 3.78Å; R195-D244 IonicContact NH2-OD2 2.81Å; R195-D244 PolarHBondContact NH2-OD2 3.46Å; R199-D244 IonicContact NH1-OD2 3.96Å; D227-D244 HydrophobicContact CB-CB 4.37Å; D227-D244 PolarHBondContact N-O 3.03Å; D227-D244 VanDerWaalsContact N-O 3.15Å; D227-D244 PolarHBondContact O-N 3.23Å; Y229-D244 HydrophobicContact CD2-CB 4.5Å; Y229-D244 HydrophobicContact CE2-CB 3.81Å; D244-R246 PolarHBondContact O-NH1 2.93Å; D244-R246 IonicContact OD1-CZ 3.21Å; D244-R246 IonicContact OD1-NH1 2.75Å; D244-R246 PolarHBondContact OD1-NH1 2.68Å; D244-R246 IonicContact OD2-NH1 3.46Å; D244-R246 PolarHBondContact OD2-NH1 3.22Å
245	V	96.3	Very high	84.2	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.8	-178.6	-176.7	0	0	0	0	110.8	E164 I165 W168 Y224 I226 L243	E164-V245 HydrophobicContact CB-CB 3.64Å; E164-V245 HydrophobicContact CB-CG1 3.91Å; E164-V245 HydrophobicContact CB-CG2 3.66Å; E164-V245 HydrophobicContact CG-CB 4.39Å; E164-V245 HydrophobicContact CG-CG2 4.05Å; I165-V245 HydrophobicContact CG1-CG1 3.72Å; W168-V245 PolarHBondContact NE1-O 2.95Å; Y224-V245 HydrophobicContact CD1-CG1 4.2Å; I226-V245 HydrophobicContact CB-CG2 4.48Å; I226-V245 HydrophobicContact CG1-CG1 4.11Å; I226-V245 HydrophobicContact CG1-CG2 4.06Å; I226-V245 HydrophobicContact CG2-CG2 4.04Å; L243-V245 HydrophobicContact CB-CG2 4Å; L243-V245 HydrophobicContact CD2-CG2 4.49Å
246	R	96.5	Very high	85.8	Confident	11 Å²	11	68.3 Å²	68.3	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	146.9	-175.8	52.7	-171	-169.2	-88.9	-12.5	113.2	W168 S193 Y224 V225 D227 D244	W168-R246 HydrophobicContact CZ2-CB 4.04Å; S193-R246 VanDerWaalsContact CB-NH2 3.33Å; S193-R246 PolarHBondContact OG-NH2 3.2Å; Y224-R246 VanDerWaalsContact CD1-C 3.48Å; V225-R246 PolarHBondContact N-O 2.93Å; V225-R246 PolarHBondContact O-N 3.45Å; D227-R246 IonicContact OD1-NH2 2.69Å; D227-R246 IonicContact OD2-CZ 3.59Å; D227-R246 IonicContact OD2-NH1 2.81Å; D227-R246 PolarHBondContact OD2-NH1 3.27Å; D227-R246 IonicContact OD2-NH2 3.98Å; D227-R246 PolarHBondContact OD2-NH2 3.16Å; D244-R246 PolarHBondContact O-NH1 2.93Å; D244-R246 IonicContact OD1-CZ 3.21Å; D244-R246 IonicContact OD1-NH1 2.75Å; D244-R246 PolarHBondContact OD1-NH1 2.68Å; D244-R246 IonicContact OD2-NH1 3.46Å; D244-R246 PolarHBondContact OD2-NH1 3.22Å
247	P	97	Very high	87.6	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	142.7	170.1	-25.7	33.9	0	0	0	111.1	W168 R223 Y224 A254 R258	W168-P247 HydrophobicContact CB-CG 4.45Å; W168-P247 HydrophobicContact CD2-CG 3.94Å; W168-P247 HydrophobicContact CE3-CG 3.74Å; W168-P247 HydrophobicContact CG-CG 4.27Å; W168-P247 HydrophobicContact CZ3-CG 4.25Å; R223-P247 CarbonylContact O-C 3.55Å; Y224-P247 HydrophobicContact CD1-CG 4.38Å; Y224-P247 HydrophobicContact CE1-CB 4.33Å; Y224-P247 HydrophobicContact CE1-CG 3.65Å; P247-A254 HydrophobicContact CB-CB 3.62Å; P247-R258 PolarHBondContact O-NE 3.32Å; P247-R258 PolarHBondContact O-NH2 2.87Å
248	A	96	Very high	89.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	28%	0.277	C	S	.	.			trans	-70.6	151.6	177.5	0	0	0	0	0	111.6	R223 V225 D250 A254	R223-A248 HydrophobicContact CB-CB 3.96Å; R223-A248 HydrophobicContact CG-CB 3.94Å; R223-A248 WeakPolarHBondContact O-CB 3.47Å; R223-A248 PolarHBondContact O-N 2.61Å; V225-A248 HydrophobicContact CG2-CB 4.03Å; A248-D250 VanDerWaalsContact CB-OD2 3.31Å; A248-D250 WeakPolarHBondContact CB-OD2 3.48Å; A248-D250 PolarHBondContact O-N 2.82Å; A248-A254 WeakPolarHBondContact O-CB 3.45Å
249	L	94.6	Very high	91.1	Very high	112 Å²	112	54.5 Å²	54.5	59%	0.586	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	51.1	178.4	-68.5	173.6	0	0	0	111.5	V255	L249-V255 HydrophobicContact CD2-CG2 3.85Å
250	D	92.3	Very high	92.7	Very high	86 Å²	86	53.2 Å²	53.2	46%	0.46	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-5.1	178.4	47	22.2	0	0	0	113.7	R223 A248	R223-D250 IonicContact CZ-OD2 3.66Å; R223-D250 IonicContact NE-OD2 2.6Å; R223-D250 PolarHBondContact NE-OD2 3.43Å; R223-D250 IonicContact NH2-OD2 3.24Å; R223-D250 PolarHBondContact NH2-OD2 2.76Å; A248-D250 VanDerWaalsContact CB-OD2 3.31Å; A248-D250 WeakPolarHBondContact CB-OD2 3.48Å; A248-D250 PolarHBondContact O-N 2.82Å
251	S	93.8	Very high	93.9	Very high	49 Å²	49	51.8 Å²	51.8	34%	0.343	27%	0.265	S	S	.	.	S	Bend	trans	-136.9	153.7	174.4	67.8	0	0	0	0	112.8	S253 A254 V255	S251-S253 VanDerWaalsContact C-N 3.26Å; S251-S253 PolarHBondContact O-N 2.79Å; S251-A254 PolarHBondContact O-N 2.89Å; S251-A254 WeakPolarHBondContact OG-CB 3.26Å; S251-A254 PolarHBondContact OG-N 2.85Å; S251-V255 WeakPolarHBondContact O-CG2 3.45Å; S251-V255 PolarHBondContact O-N 2.79Å; S251-V255 VanDerWaalsContact O-N 3.14Å
252	L	94.4	Very high	94.6	Very high	153 Å²	153	54 Å²	54	80%	0.801	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-33	174.7	-66.7	176.8	0	0	0	112.2	V255 W256	L252-V255 PolarHBondContact O-N 3.15Å; L252-W256 PolarHBondContact O-N 3.47Å
253	S	93.2	Very high	94.9	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-54.1	173.6	-165.9	0	0	0	0	110.3	S251 V255 W256 D257	S251-S253 VanDerWaalsContact C-N 3.26Å; S251-S253 PolarHBondContact O-N 2.79Å; S253-V255 VanDerWaalsContact C-N 3.27Å; S253-V255 PolarHBondContact O-N 2.96Å; S253-W256 CarbonylContact O-C 3.57Å; S253-W256 WeakPolarHBondContact O-CA 3.35Å; S253-W256 WeakPolarHBondContact O-CB 3.19Å; S253-W256 PolarHBondContact O-N 2.78Å; S253-D257 VanDerWaalsContact C-OD2 3.26Å; S253-D257 PolarHBondContact O-N 2.95Å; S253-D257 PolarHBondContact OG-OD2 3.17Å
254	A	95	Very high	95	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-28.5	-179.3	0	0	0	0	0	114.1	P247 A248 S251 R258	P247-A254 HydrophobicContact CB-CB 3.62Å; A248-A254 WeakPolarHBondContact O-CB 3.45Å; S251-A254 PolarHBondContact O-N 2.89Å; S251-A254 WeakPolarHBondContact OG-CB 3.26Å; S251-A254 PolarHBondContact OG-N 2.85Å; A254-R258 WeakPolarHBondContact O-CB 3.4Å; A254-R258 WeakPolarHBondContact O-CG 3.41Å; A254-R258 PolarHBondContact O-N 3.2Å
255	V	95.8	Very high	94.8	Very high	56 Å²	56	69.2 Å²	69.2	34%	0.339	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-50	168.3	175.5	0	0	0	0	110.1	L249 S251 L252 S253 R258 M259	L249-V255 HydrophobicContact CD2-CG2 3.85Å; S251-V255 WeakPolarHBondContact O-CG2 3.45Å; S251-V255 PolarHBondContact O-N 2.79Å; S251-V255 VanDerWaalsContact O-N 3.14Å; L252-V255 PolarHBondContact O-N 3.15Å; S253-V255 VanDerWaalsContact C-N 3.27Å; S253-V255 PolarHBondContact O-N 2.96Å; V255-R258 PolarHBondContact O-N 2.92Å; V255-M259 HydrophobicContact CG1-CE 4.23Å; V255-M259 HydrophobicContact CG1-SD 4.47Å; V255-M259 WeakPolarHBondContact O-CG 3.23Å; V255-M259 PolarHBondContact O-N 3.3Å
256	W	96.3	Very high	94.5	Very high	153 Å²	153	78.8 Å²	78.8	58%	0.58	37%	0.367	S	S	*	.	H	α-helix	trans	-60.8	-44.3	179.5	-177.5	-113.8	0	0	0	112.7	L252 S253 R258 M259 K260	L252-W256 PolarHBondContact O-N 3.47Å; S253-W256 CarbonylContact O-C 3.57Å; S253-W256 WeakPolarHBondContact O-CA 3.35Å; S253-W256 WeakPolarHBondContact O-CB 3.19Å; S253-W256 PolarHBondContact O-N 2.78Å; W256-R258 PolarHBondContact O-N 3.09Å; W256-M259 HydrophobicContact CE3-CE 3.54Å; W256-M259 HydrophobicContact CZ3-CE 4.01Å; W256-M259 PolarHBondContact O-N 2.83Å; W256-K260 WeakPolarHBondContact O-CB 3.46Å; W256-K260 PolarHBondContact O-N 2.98Å
257	D	95.9	Very high	94.3	Very high	3 Å²	3	81.9 Å²	81.9	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-45.9	178.8	-59.8	-37.5	0	0	0	111	W168 L171 H172 S253 M259 K260 V261	W168-D257 HydrophobicContact CE3-CB 4.39Å; W168-D257 HydrophobicContact CZ3-CB 4.3Å; L171-D257 HydrophobicContact CD1-CB 3.83Å; H172-D257 IonicContact CE1-OD1 3.68Å; H172-D257 PolarHBondContact CE1-OD1 2.85Å; H172-D257 VanDerWaalsContact CE1-OD1 3.26Å; H172-D257 IonicContact CE1-OD2 3.55Å; H172-D257 PolarHBondContact CE1-OD2 3.14Å; H172-D257 VanDerWaalsContact NE2-CG 3.25Å; H172-D257 IonicContact NE2-OD1 3.61Å; H172-D257 PolarHBondContact NE2-OD1 2.75Å; H172-D257 IonicContact NE2-OD2 2.77Å; H172-D257 PolarHBondContact NE2-OD2 3.18Å; S253-D257 VanDerWaalsContact C-OD2 3.26Å; S253-D257 PolarHBondContact O-N 2.95Å; S253-D257 PolarHBondContact OG-OD2 3.17Å; D257-M259 PolarHBondContact O-N 2.94Å; D257-K260 PolarHBondContact O-N 3.06Å; D257-K260 IonicContact OD1-NZ 3.87Å; D257-V261 WeakPolarHBondContact O-CG2 3.41Å; D257-V261 PolarHBondContact O-N 3.44Å
258	R	95.6	Very high	93.1	Very high	53 Å²	53	89.1 Å²	89.1	20%	0.2	44%	0.438	C	S	.	.	H	α-helix	trans	-62	-40.2	174.9	-78	176.6	171.5	-148.8	16	112.6	W168 P247 A254 V255 W256 A262	W168-R258 HydrophobicContact CH2-CG 3.97Å; W168-R258 HydrophobicContact CZ3-CG 4.22Å; P247-R258 PolarHBondContact O-NE 3.32Å; P247-R258 PolarHBondContact O-NH2 2.87Å; A254-R258 WeakPolarHBondContact O-CB 3.4Å; A254-R258 WeakPolarHBondContact O-CG 3.41Å; A254-R258 PolarHBondContact O-N 3.2Å; V255-R258 PolarHBondContact O-N 2.92Å; W256-R258 PolarHBondContact O-N 3.09Å; R258-A262 WeakPolarHBondContact O-CB 3.4Å; R258-A262 PolarHBondContact O-N 2.88Å
259	M	96.1	Very high	93	Very high	103 Å²	103	93.5 Å²	93.5	51%	0.507	46%	0.459	S	S	.	.	H	α-helix	trans	-65.6	-43.2	175.7	-70.5	-167.6	-54.7	0	0	111.7	V255 W256 D257 A262 W263	V255-M259 HydrophobicContact CG1-CE 4.23Å; V255-M259 HydrophobicContact CG1-SD 4.47Å; V255-M259 WeakPolarHBondContact O-CG 3.23Å; V255-M259 PolarHBondContact O-N 3.3Å; W256-M259 HydrophobicContact CE3-CE 3.54Å; W256-M259 HydrophobicContact CZ3-CE 4.01Å; W256-M259 PolarHBondContact O-N 2.83Å; D257-M259 PolarHBondContact O-N 2.94Å; M259-A262 PolarHBondContact O-N 3.09Å; M259-W263 WeakPolarHBondContact O-CB 3.34Å; M259-W263 PolarHBondContact O-N 3.26Å
260	K	95.4	Very high	92.9	Very high	54 Å²	54	92.5 Å²	92.5	24%	0.235	45%	0.453	C	S	.	.	H	α-helix	trans	-59.8	-49.2	177.3	-173.3	-168.2	-64.9	159.2	0	111.6	L171 W256 D257 W263 W264	L171-K260 HydrophobicContact CD2-CD 3.88Å; W256-K260 WeakPolarHBondContact O-CB 3.46Å; W256-K260 PolarHBondContact O-N 2.98Å; D257-K260 PolarHBondContact O-N 3.06Å; D257-K260 IonicContact OD1-NZ 3.87Å; K260-W263 PolarHBondContact O-N 2.65Å; K260-W264 HydrophobicContact CD-CH2 3.92Å; K260-W264 HydrophobicContact CD-CZ2 3.77Å; K260-W264 HydrophobicContact CG-CD2 4.36Å; K260-W264 HydrophobicContact CG-CH2 4.26Å; K260-W264 HydrophobicContact CG-CZ2 3.79Å; K260-W264 VanDerWaalsContact O-CG 3.31Å; K260-W264 PolarHBondContact O-N 3.24Å
261	V	94.5	Very high	92.9	Very high	22 Å²	22	92.9 Å²	92.9	13%	0.133	45%	0.452	C	S	.	.	H	α-helix	trans	-69.5	-35.2	178.3	174	0	0	0	0	112.1	W168 L171 D257 W264 R265	W168-V261 HydrophobicContact CE3-CG2 3.93Å; W168-V261 HydrophobicContact CH2-CB 3.74Å; W168-V261 HydrophobicContact CH2-CG1 3.85Å; W168-V261 HydrophobicContact CH2-CG2 3.98Å; W168-V261 HydrophobicContact CZ2-CG1 4.3Å; W168-V261 HydrophobicContact CZ3-CB 3.72Å; W168-V261 HydrophobicContact CZ3-CG1 4.23Å; W168-V261 HydrophobicContact CZ3-CG2 3.47Å; W168-V261 VanDerWaalsContact CZ3-CG2 3.47Å; L171-V261 HydrophobicContact CD1-CG2 3.94Å; D257-V261 WeakPolarHBondContact O-CG2 3.41Å; D257-V261 PolarHBondContact O-N 3.44Å; V261-W264 HydrophobicContact CG2-CE3 4.36Å; V261-R265 WeakPolarHBondContact O-CB 3.37Å; V261-R265 VanDerWaalsContact O-CG 3.3Å; V261-R265 WeakPolarHBondContact O-CG 3.14Å; V261-R265 PolarHBondContact O-N 3.2Å
262	A	94	Very high	92.9	Very high	59 Å²	59	95.5 Å²	95.5	49%	0.488	46%	0.459	S	S	.	.	H	α-helix	trans	-65.2	-41.6	173.6	0	0	0	0	0	111.9	R258 M259 R265 W266	R258-A262 WeakPolarHBondContact O-CB 3.4Å; R258-A262 PolarHBondContact O-N 2.88Å; M259-A262 PolarHBondContact O-N 3.09Å; A262-R265 PolarHBondContact O-N 3.25Å; A262-W266 PolarHBondContact O-N 3.02Å; A262-W266 VanDerWaalsContact O-N 3.16Å
263	W	95	Very high	92.8	Very high	166 Å²	166	91.9 Å²	91.9	63%	0.629	44%	0.437	S	S	*	.	H	α-helix	trans	-61.4	-48.9	174.2	-179.3	-101.5	0	0	0	111.4	M259 K260 R265 W266 T267	M259-W263 WeakPolarHBondContact O-CB 3.34Å; M259-W263 PolarHBondContact O-N 3.26Å; K260-W263 PolarHBondContact O-N 2.65Å; W263-R265 VanDerWaalsContact C-N 3.32Å; W263-R265 PolarHBondContact O-N 2.96Å; W263-W266 WeakPolarHBondContact O-CA 3.5Å; W263-W266 WeakPolarHBondContact O-CB 3.23Å; W263-W266 PolarHBondContact O-N 3.05Å; W263-T267 HydrophobicContact CD2-CG2 4.03Å; W263-T267 HydrophobicContact CG-CG2 4.47Å; W263-T267 HydrophobicContact CH2-CG2 4.31Å; W263-T267 HydrophobicContact CZ2-CG2 3.71Å; W263-T267 PolarHBondContact O-N 3.29Å; W263-T267 PolarHBondContact O-OG1 2.86Å
264	W	93.7	Very high	92.8	Very high	130 Å²	130	94.5 Å²	94.5	49%	0.492	44%	0.442	S	S	.	.	H	α-helix	trans	-57.7	-42.1	176.4	-67	-16.7	0	0	0	112.9	L171 K260 V261 W266 T267 S268	L171-W264 HydrophobicContact CD2-CH2 3.42Å; L171-W264 VanDerWaalsContact CD2-CH2 3.42Å; L171-W264 HydrophobicContact CD2-CZ3 3.47Å; L171-W264 VanDerWaalsContact CD2-CZ3 3.47Å; K260-W264 HydrophobicContact CD-CH2 3.92Å; K260-W264 HydrophobicContact CD-CZ2 3.77Å; K260-W264 HydrophobicContact CG-CD2 4.36Å; K260-W264 HydrophobicContact CG-CH2 4.26Å; K260-W264 HydrophobicContact CG-CZ2 3.79Å; K260-W264 VanDerWaalsContact O-CG 3.31Å; K260-W264 PolarHBondContact O-N 3.24Å; V261-W264 HydrophobicContact CG2-CE3 4.36Å; W264-W266 PolarHBondContact O-N 3.45Å; W264-T267 PolarHBondContact O-N 3.36Å; W264-S268 WeakPolarHBondContact O-CB 3.41Å; W264-S268 PolarHBondContact O-N 3.45Å; W264-S268 PolarHBondContact O-OG 3.15Å
265	R	89.9	Confident	92.6	Very high	177 Å²	177	101.1 Å²	101.1	67%	0.668	47%	0.473	S	S	*	.	H	α-helix	trans	-67.6	-15.7	175.1	-71.7	176.6	-176.8	-160.2	2.1	114.3	V261 A262 W263	V261-R265 WeakPolarHBondContact O-CB 3.37Å; V261-R265 VanDerWaalsContact O-CG 3.3Å; V261-R265 WeakPolarHBondContact O-CG 3.14Å; V261-R265 PolarHBondContact O-N 3.2Å; A262-R265 PolarHBondContact O-N 3.25Å; W263-R265 VanDerWaalsContact C-N 3.32Å; W263-R265 PolarHBondContact O-N 2.96Å
266	W	90	Very high	92.4	Very high	212 Å²	212	104.6 Å²	104.6	80%	0.803	48%	0.483	S	S	*	.	H	α-helix	trans	-93.4	-28	175.5	-176.6	-92.4	0	0	0	112.5	A262 W263 W264	A262-W266 PolarHBondContact O-N 3.02Å; A262-W266 VanDerWaalsContact O-N 3.16Å; W263-W266 WeakPolarHBondContact O-CA 3.5Å; W263-W266 WeakPolarHBondContact O-CB 3.23Å; W263-W266 PolarHBondContact O-N 3.05Å; W264-W266 PolarHBondContact O-N 3.45Å
267	T	92.3	Very high	92	Very high	76 Å²	76	100.6 Å²	100.6	47%	0.466	48%	0.475	S	S	.	.	H	α-helix	trans	-103.3	0.4	-176.8	63.4	0	0	0	0	115	W263 W264	W263-T267 HydrophobicContact CD2-CG2 4.03Å; W263-T267 HydrophobicContact CG-CG2 4.47Å; W263-T267 HydrophobicContact CH2-CG2 4.31Å; W263-T267 HydrophobicContact CZ2-CG2 3.71Å; W263-T267 PolarHBondContact O-N 3.29Å; W263-T267 PolarHBondContact O-OG1 2.86Å; W264-T267 PolarHBondContact O-N 3.36Å
268	S	72.2	Confident	91.7	Very high	152 Å²	152	109.5 Å²	109.5	100%	1.063	52%	0.517	S	S	*	.			trans	-105.3	0	176.4	-48.3	0	0	0	0	110.8	W264	W264-S268 WeakPolarHBondContact O-CB 3.41Å; W264-S268 PolarHBondContact O-N 3.45Å; W264-S268 PolarHBondContact O-OG 3.15Å

Retrieved 268 of 268 residues in 820.3 ms (Link to these results)

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