A0A087YIY7_POEFO Loading...

DNA (cytosine-5-)-methyltransferase

AlphaFold DB , UniProt , Accession A0A087YIY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 777 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.5	Very low	29.3	Very low	236 Å²	236	189.4 Å²	189.4	100%	1.163	86%	0.86	S	S	*	*				0	155.8	0	-87.2	-50.8	-174.7	0	0	109.7
2	P	40.4	Very low	28.9	Very low	99 Å²	99	187.5 Å²	187.5	64%	0.643	85%	0.853	S	S	*	*				-133.2	168.1	-110.5	43.6	-31.6	0	0	0	118.2
3	R	29.6	Very low	28.7	Very low	209 Å²	209	190.2 Å²	190.2	79%	0.789	85%	0.852	S	S	*	*			trans	48	128.2	144.2	-71.3	171.9	175.5	176.2	1.2	119.9
4	K	31.3	Very low	28.6	Very low	216 Å²	216	186.1 Å²	186.1	94%	0.939	85%	0.853	S	S	*	*			trans	-127.4	136.5	130.1	-78.4	-173.3	176	171.3	0	111
5	K	32.6	Very low	28.5	Very low	180 Å²	180	181.4 Å²	181.4	78%	0.783	84%	0.843	S	S	*	*			trans	-109.8	135.2	173.3	-71.5	-179.3	175	-178	0	109.5
6	R	31	Very low	28.4	Very low	262 Å²	262	183.1 Å²	183.1	99%	0.989	85%	0.847	S	S	*	*			trans	-154	148.2	150.6	-74.2	-169.9	174.1	171.8	-3.6	106.8
7	G	27.7	Very low	28	Very low	80 Å²	80	184.8 Å²	184.8	83%	0.825	85%	0.846	S	S	*	*			cis	-172.9	137.4	-9.7	0	0	0	0	0	108.6
8	R	26.7	Very low	27.8	Very low	234 Å²	234	181.9 Å²	181.9	88%	0.883	84%	0.844	S	S	*	*			trans	-98.1	130.9	-171.9	-162.8	-172.9	-159.5	-177.8	8.6	110.4
9	R	26.7	Very low	27.7	Very low	249 Å²	249	180.9 Å²	180.9	94%	0.94	84%	0.84	S	S	*	*			trans	-124.8	156.4	158.9	-84.3	-172.9	169.9	178.3	-3.9	109.5
10	K	25.8	Very low	27.5	Very low	176 Å²	176	181.4 Å²	181.4	77%	0.765	84%	0.842	S	S	*	*			trans	-154.8	172.6	-174.2	-147.2	-166.6	-177.9	-162.3	0	107.7
11	L	25.4	Very low	27.4	Very low	142 Å²	142	180.1 Å²	180.1	74%	0.743	83%	0.834	S	S	*	*			trans	70.2	145.6	-173.9	-51.4	111.4	0	0	0	112
12	E	24.4	Very low	27.3	Very low	167 Å²	167	178.3 Å²	178.3	78%	0.78	82%	0.822	S	S	*	*			cis	-146.7	168.7	7.3	-146.9	142.9	-137.8	0	0	112.6
13	R	25.5	Very low	26.6	Very low	223 Å²	223	179 Å²	179	84%	0.842	82%	0.821	S	S	*	*			trans	-105.7	149	166.6	-83.6	-176.7	172.3	178.4	-3.6	108.8
14	P	28.1	Very low	26.4	Very low	132 Å²	132	177.4 Å²	177.4	86%	0.857	83%	0.828	S	S	*	*			trans	-123.5	150.9	136.6	35.4	-28.2	0	0	0	112.3
15	T	27.2	Very low	26	Very low	116 Å²	116	170.5 Å²	170.5	71%	0.712	82%	0.818	S	S	*	*			trans	-106.2	144.9	171.8	49.2	0	0	0	0	110.2
16	K	25.8	Very low	25.6	Very low	208 Å²	208	167.5 Å²	167.5	90%	0.904	82%	0.818	S	S	*	*			trans	-170.5	148.6	133.7	-109.3	169.1	-176.4	-173.7	0	112.9
17	Y	22.4	Very low	25.2	Very low	212 Å²	212	162.2 Å²	162.2	83%	0.831	81%	0.81	S	S	*	*			trans	-74.5	156.4	157.9	-96.2	-117	0	0	0	109.8
18	V	25.1	Very low	25.1	Very low	134 Å²	134	162.2 Å²	162.2	81%	0.812	80%	0.802	S	S	*	*				-170.7	153	112.8	144	0	0	0	0	108.8
19	E	25	Very low	25	Very low	163 Å²	163	158 Å²	158	76%	0.762	80%	0.795	S	S	*	*			trans	-74.5	161.2	-179.5	-58.8	150.2	113.5	0	0	112.2
20	H	23.9	Very low	24.8	Very low	190 Å²	190	155 Å²	155	88%	0.88	79%	0.789	S	S	*	*			trans	-149.3	140.5	133.9	-122.8	-86.8	0	0	0	110.6
21	K	24.6	Very low	24.7	Very low	155 Å²	155	153.8 Å²	153.8	67%	0.674	80%	0.797	S	S	*	*			trans	-89.1	158.8	168.3	-70	174	148.9	-132.4	0	109.9	D23	K21-D23 IonicContact NZ-OD2 2.91Å; K21-D23 PolarHBondContact NZ-OD2 3.36Å
22	E	25.2	Very low	24.6	Very low	197 Å²	197	156.5 Å²	156.5	92%	0.921	81%	0.806	S	S	*	*			trans	-140.7	134.7	132.7	-110.5	159.4	-155.8	0	0	108.1
23	D	24.4	Very low	24.5	Very low	114 Å²	114	152.4 Å²	152.4	61%	0.61	81%	0.809	S	S	*	*			trans	-116.2	133.2	-179.8	-81.8	-63	0	0	0	107.8	K21	K21-D23 IonicContact NZ-OD2 2.91Å; K21-D23 PolarHBondContact NZ-OD2 3.36Å
24	D	25.2	Very low	24.4	Very low	175 Å²	175	145.6 Å²	145.6	94%	0.936	81%	0.808	S	S	*	*			trans	-179.4	141.4	151.2	-95.4	-26	0	0	0	106.4
25	G	24	Very low	24.3	Very low	71 Å²	71	151.2 Å²	151.2	73%	0.732	81%	0.812	S	S	*	*			cis	116.3	120.6	24	0	0	0	0	0	107.6
26	C	22.9	Very low	24.2	Very low	117 Å²	117	149.2 Å²	149.2	79%	0.791	81%	0.814	S	S	*	*			cis	-155.3	165.6	5.2	-166.8	0	0	0	0	110.4
27	D	23.7	Very low	24.2	Very low	151 Å²	151	150.8 Å²	150.8	81%	0.807	81%	0.814	S	S	*	*			trans	-6.7	157.1	158	-67.7	-14.4	0	0	0	120.1
28	A	24.1	Very low	24.3	Very low	80 Å²	80	148.5 Å²	148.5	66%	0.661	82%	0.816	S	S	*	*			cis	179.7	169.5	-9.8	0	0	0	0	0	105.2
29	I	25	Very low	24.4	Very low	145 Å²	145	154.2 Å²	154.2	74%	0.744	82%	0.823	S	S	*	*				-174.2	130	81.8	-86.2	174.3	0	0	0	110.5
30	K	24.1	Very low	24.6	Very low	187 Å²	187	158 Å²	158	81%	0.813	83%	0.83	S	S	*	*			trans	27	125.2	147.9	-51.7	170.7	-171.5	169.3	0	121.4
31	T	23.6	Very low	24.9	Very low	151 Å²	151	151.8 Å²	151.8	93%	0.926	82%	0.817	S	S	*	*				-141.9	166.6	120.1	-17.5	0	0	0	0	110.3
32	E	23.1	Very low	25.2	Very low	199 Å²	199	149.2 Å²	149.2	93%	0.93	82%	0.815	S	S	*	*			trans	-97	155.9	-168.7	-55.4	-176.7	113.1	0	0	114.8
33	G	22.6	Very low	25.6	Very low	81 Å²	81	141.2 Å²	141.2	84%	0.835	79%	0.785	S	S	*	*			trans	152.9	140.3	154.8	0	0	0	0	0	116.6
34	G	22.9	Very low	25.8	Very low	80 Å²	80	141.1 Å²	141.1	83%	0.825	78%	0.776	S	S	*	*			trans	95.5	51.7	153	0	0	0	0	0	120	G36	G34-G36 PolarHBondContact O-N 3.38Å
35	R	26	Very low	26.2	Very low	250 Å²	250	140.6 Å²	140.6	94%	0.943	77%	0.768	S	S	*	*			trans	-71.3	98.2	165.1	-74.9	-167.4	-176.8	-153.7	2.3	112	R37	R35-R37 PolarHBondContact O-N 2.79Å
36	G	24	Very low	26.7	Very low	74 Å²	74	143.7 Å²	143.7	76%	0.763	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-62.1	120.7	168.1	0	0	0	0	0	111.9	G34	G34-G36 PolarHBondContact O-N 3.38Å
37	R	25.9	Very low	27.1	Very low	241 Å²	241	141.1 Å²	141.1	91%	0.909	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-92.1	117.1	172.6	-74.2	-173.3	175.9	-164.9	-0.4	110.2	R35 R39	R35-R37 PolarHBondContact O-N 2.79Å; R37-R39 PolarHBondContact O-N 3.25Å
38	L	25.3	Very low	27.2	Very low	164 Å²	164	142.5 Å²	142.5	86%	0.859	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-61.6	129.8	162	-79.2	73.9	0	0	0	109
39	R	26.8	Very low	27.9	Very low	253 Å²	253	145.9 Å²	145.9	96%	0.955	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-67.2	140.8	162.9	-78.1	178.6	164.7	176.5	-6.2	108.5	R37	R37-R39 PolarHBondContact O-N 3.25Å
40	R	28.8	Very low	28.2	Very low	242 Å²	242	148 Å²	148	91%	0.913	76%	0.759	S	S	*	*			trans	-142.8	114.8	-175.5	-149.6	-173.9	-158.6	-133.9	5.7	111.6
41	G	30.4	Very low	28.7	Very low	60 Å²	60	146.1 Å²	146.1	62%	0.619	75%	0.746	S	S	*	*			trans	70.6	113.4	163.6	0	0	0	0	0	116.9
42	V	31.2	Very low	29.2	Very low	102 Å²	102	141.8 Å²	141.8	62%	0.618	72%	0.721	S	S	*	*			trans	-104.1	-26.1	177.6	-168.7	0	0	0	0	112.5	W44 E45	V42-W44 PolarHBondContact O-N 2.88Å; V42-E45 PolarHBondContact O-N 3.37Å; V42-E45 VanDerWaalsContact O-N 3.14Å
43	G	33	Very low	29.7	Very low	29 Å²	29	137.9 Å²	137.9	30%	0.299	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	17.5	-176.4	0	0	0	0	0	118.4
44	W	29.6	Very low	30.3	Very low	112 Å²	112	139 Å²	139	42%	0.424	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.3	-17.6	168.3	-72	85.6	0	0	0	113.2	V42 I46 S47 R51	V42-W44 PolarHBondContact O-N 2.88Å; W44-I46 PolarHBondContact O-N 2.86Å; W44-I46 VanDerWaalsContact O-N 3.16Å; W44-S47 PolarHBondContact O-N 2.82Å; W44-S47 VanDerWaalsContact O-N 3.12Å; W44-R51 HydrophobicContact CD2-CG 4.33Å; W44-R51 HydrophobicContact CE3-CB 4.16Å; W44-R51 HydrophobicContact CE3-CG 4.16Å; W44-R51 HydrophobicContact CH2-CG 4.18Å; W44-R51 HydrophobicContact CZ2-CG 4.33Å; W44-R51 HydrophobicContact CZ3-CB 4.28Å; W44-R51 HydrophobicContact CZ3-CG 4.08Å
45	E	32.8	Very low	31.5	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-10.2	-168.1	-64	-176.7	166.3	0	0	114.2	V42	V42-E45 PolarHBondContact O-N 3.37Å; V42-E45 VanDerWaalsContact O-N 3.14Å
46	I	35.2	Very low	32.4	Very low	136 Å²	136	129.1 Å²	129.1	70%	0.697	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-11.1	175.6	-53.6	173.9	0	0	0	111.7	W44	W44-I46 PolarHBondContact O-N 2.86Å; W44-I46 VanDerWaalsContact O-N 3.16Å
47	S	31.2	Very low	33.2	Very low	63 Å²	63	128.1 Å²	128.1	44%	0.441	62%	0.619	S	S	.	*			trans	-101.9	125.5	-177.4	-173.4	0	0	0	0	113.2	W44 R49	W44-S47 PolarHBondContact O-N 2.82Å; W44-S47 VanDerWaalsContact O-N 3.12Å; S47-R49 PolarHBondContact O-N 2.94Å; S47-R49 PolarHBondContact OG-N 3.32Å
48	L	25.8	Very low	34.5	Very low	180 Å²	180	118.8 Å²	118.8	94%	0.942	59%	0.585	S	S	*	*			trans	-73.7	2.3	173.5	-70.4	174.4	0	0	0	114.2
49	R	39.4	Very low	35.5	Very low	152 Å²	152	118 Å²	118	57%	0.574	58%	0.577	S	S	*	*	S	Bend	trans	-99.1	140.4	-176.9	-62.4	-179.6	178.5	-134.4	20.1	110.9	S47 R51 E388	S47-R49 PolarHBondContact O-N 2.94Å; S47-R49 PolarHBondContact OG-N 3.32Å; R49-R51 PolarHBondContact O-N 2.66Å; R49-E388 IonicContact CZ-OE1 3.28Å; R49-E388 VanDerWaalsContact CZ-OE1 3.25Å; R49-E388 IonicContact CZ-OE2 2.74Å; R49-E388 IonicContact NH1-OE1 3.73Å; R49-E388 PolarHBondContact NH1-OE1 3.17Å; R49-E388 IonicContact NH1-OE2 3.86Å; R49-E388 PolarHBondContact NH1-OE2 2.88Å; R49-E388 IonicContact NH2-OE1 2.79Å; R49-E388 PolarHBondContact NH2-OE1 2.69Å; R49-E388 IonicContact NH2-OE2 3.78Å
50	Q	30.9	Very low	36	Very low	190 Å²	190	107 Å²	107	89%	0.888	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-62.2	132.3	171.3	-75	-167.6	-10	0	0	110.4
51	R	33.3	Very low	36.4	Very low	146 Å²	146	97.6 Å²	97.6	55%	0.551	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-56.4	126.2	172	-177.9	-180	-178.1	161.5	6.8	109.8	W44 R49 M53	W44-R51 HydrophobicContact CD2-CG 4.33Å; W44-R51 HydrophobicContact CE3-CB 4.16Å; W44-R51 HydrophobicContact CE3-CG 4.16Å; W44-R51 HydrophobicContact CH2-CG 4.18Å; W44-R51 HydrophobicContact CZ2-CG 4.33Å; W44-R51 HydrophobicContact CZ3-CB 4.28Å; W44-R51 HydrophobicContact CZ3-CG 4.08Å; R49-R51 PolarHBondContact O-N 2.66Å; R51-M53 PolarHBondContact O-N 3.44Å
52	P	35.4	Very low	36.7	Very low	61 Å²	61	99.2 Å²	99.2	40%	0.396	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-54.4	133.7	172.6	-24.6	33.9	0	0	0	110.5	Y401	P52-Y401 HydrophobicContact CB-CE1 3.72Å; P52-Y401 HydrophobicContact CG-CE1 4.37Å
53	M	34	Very low	36.8	Very low	117 Å²	117	99.7 Å²	99.7	58%	0.576	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-65.5	137.7	-180	-78.5	-162.1	-75.8	0	0	110.1	R51 R55 R409	R51-M53 PolarHBondContact O-N 3.44Å; M53-R55 PolarHBondContact O-N 2.85Å; M53-R55 VanDerWaalsContact O-N 3.16Å; M53-R409 HydrophobicContact CE-CB 4.3Å; M53-R409 HydrophobicContact CE-CG 4.44Å
54	P	35.2	Very low	37	Very low	103 Å²	103	107.9 Å²	107.9	67%	0.669	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-53.7	123.3	171.3	-25.5	34.6	0	0	0	110.4
55	R	46.7	Very low	37.7	Very low	44 Å²	44	104.8 Å²	104.8	17%	0.166	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-73.7	157	-179.2	74.2	-172.6	-164	156.1	4.1	111.5	M53 T57 D394 D396 Q399 S400 R409	M53-R55 PolarHBondContact O-N 2.85Å; M53-R55 VanDerWaalsContact O-N 3.16Å; R55-T57 HydrophobicContact CG-CG2 4.32Å; R55-T57 VanDerWaalsContact CZ-CG2 3.46Å; R55-D394 WeakPolarHBondContact CD-OD2 3.28Å; R55-D394 IonicContact CZ-OD2 3.85Å; R55-D394 VanDerWaalsContact CZ-OD2 3.23Å; R55-D394 IonicContact NE-OD2 3.65Å; R55-D394 PolarHBondContact NE-OD2 3.22Å; R55-D394 IonicContact NH2-OD2 3.66Å; R55-D396 IonicContact CZ-OD2 3.17Å; R55-D396 IonicContact NH2-OD1 3.55Å; R55-D396 PolarHBondContact NH2-OD1 3.23Å; R55-D396 IonicContact NH2-OD2 2.78Å; R55-D396 PolarHBondContact NH2-OD2 3.14Å; R55-Q399 PolarHBondContact NH1-O 3.34Å; R55-S400 WeakPolarHBondContact CD-O 3.09Å; R55-S400 PolarHBondContact NH1-O 3.27Å; R55-R409 CarbonylContact C-O 3.49Å; R55-R409 WeakPolarHBondContact CA-O 3.44Å
56	I	46.3	Very low	38.4	Very low	80 Å²	80	101.4 Å²	101.4	41%	0.41	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.2	161.7	-50.6	176.9	0	0	0	106	F58 R409 E410 V411	I56-F58 HydrophobicContact CB-CE2 3.93Å; I56-F58 HydrophobicContact CB-CZ 4.08Å; I56-F58 HydrophobicContact CG2-CE1 4.07Å; I56-F58 HydrophobicContact CG2-CE2 3.68Å; I56-F58 HydrophobicContact CG2-CZ 3.42Å; I56-F58 VanDerWaalsContact CG2-CZ 3.42Å; I56-F58 WeakPolarHBondContact O-CE2 3.47Å; I56-R409 PolarHBondContact N-O 3.49Å; I56-E410 HydrophobicContact CB-CG 4.43Å; I56-V411 PolarHBondContact O-N 3.25Å
57	T	40.5	Very low	38.9	Very low	53 Å²	53	95.9 Å²	95.9	33%	0.325	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	146.1	176.1	40.5	0	0	0	0	110.4	R55 V411 M413	R55-T57 HydrophobicContact CG-CG2 4.32Å; R55-T57 VanDerWaalsContact CZ-CG2 3.46Å; T57-V411 HydrophobicContact CG2-CG2 4.1Å; T57-M413 HydrophobicContact CG2-SD 3.86Å
58	F	53.6	Low	39.5	Very low	45 Å²	45	98.1 Å²	98.1	20%	0.197	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.6	174.5	-59.4	-87.1	0	0	0	109.6	I56 Y65 E410 V411 M413	I56-F58 HydrophobicContact CB-CE2 3.93Å; I56-F58 HydrophobicContact CB-CZ 4.08Å; I56-F58 HydrophobicContact CG2-CE1 4.07Å; I56-F58 HydrophobicContact CG2-CE2 3.68Å; I56-F58 HydrophobicContact CG2-CZ 3.42Å; I56-F58 VanDerWaalsContact CG2-CZ 3.42Å; I56-F58 WeakPolarHBondContact O-CE2 3.47Å; F58-Y65 HydrophobicContact CE1-CD2 4.43Å; F58-Y65 HydrophobicContact CE1-CE2 4.34Å; F58-E410 HydrophobicContact CE2-CB 3.84Å; F58-E410 HydrophobicContact CE2-CG 3.99Å; F58-V411 PolarHBondContact N-O 2.99Å; F58-M413 PolarHBondContact O-N 3.15Å
59	Q	46	Very low	40.5	Very low	147 Å²	147	97.1 Å²	97.1	69%	0.687	48%	0.475	S	S	*	.			trans	-93.9	148.4	163.1	-172.9	169.4	-10.1	0	0	107.8	M413	Q59-M413 HydrophobicContact CB-CE 4.09Å
60	A	37.2	Very low	41	Very low	22 Å²	22	92.7 Å²	92.7	18%	0.182	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	155.1	175.9	0	0	0	0	0	111.3	E443 D444	A60-E443 WeakPolarHBondContact CB-O 3.48Å; A60-D444 HydrophobicContact CB-CB 4.04Å
61	G	36.3	Very low	41.8	Very low	45 Å²	45	90.6 Å²	90.6	46%	0.464	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-0.5	171.9	0	0	0	0	0	117.3	P63 I441	G61-P63 VanDerWaalsContact O-CD 3.27Å; G61-P63 WeakPolarHBondContact O-CD 3.36Å; G61-I441 PolarHBondContact N-O 2.96Å
62	D	36.3	Very low	42.8	Very low	93 Å²	93	88.5 Å²	88.5	50%	0.497	45%	0.445	S	S	.	.			trans	-64.9	114.5	174.1	-176.7	-14	0	0	0	111.4	Y64	D62-Y64 VanDerWaalsContact C-N 3.25Å; D62-Y64 PolarHBondContact O-N 2.89Å; D62-Y64 PolarHBondContact OD1-N 3.33Å
63	P	34.3	Very low	43.9	Very low	113 Å²	113	89.6 Å²	89.6	73%	0.734	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-7.6	-174.3	31.5	-35.4	0	0	0	114.3	G61	G61-P63 VanDerWaalsContact O-CD 3.27Å; G61-P63 WeakPolarHBondContact O-CD 3.36Å
64	Y	36.1	Very low	44.8	Very low	200 Å²	200	88 Å²	88	78%	0.784	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	9.5	-176.6	-64.2	-74.5	0	0	0	114.3	D62 I66	D62-Y64 VanDerWaalsContact C-N 3.25Å; D62-Y64 PolarHBondContact O-N 2.89Å; D62-Y64 PolarHBondContact OD1-N 3.33Å; Y64-I66 PolarHBondContact O-N 3.26Å
65	Y	45.1	Very low	45.3	Very low	48 Å²	48	88.4 Å²	88.4	19%	0.188	43%	0.433	C	S	.	.			trans	-63.4	119.8	-177.4	-179.6	-93.2	0	0	0	114	F58 S67 H438 I441	F58-Y65 HydrophobicContact CE1-CD2 4.43Å; F58-Y65 HydrophobicContact CE1-CE2 4.34Å; Y65-S67 WeakPolarHBondContact OH-CA 3.07Å; Y65-S67 WeakPolarHBondContact OH-CB 3.47Å; Y65-H438 AromaticContact CD1-CE1 3.45Å; Y65-H438 VanDerWaalsContact CD1-CE1 3.45Å; Y65-H438 WeakPolarHBondContact CD1-CE1 3.09Å; Y65-H438 AromaticContact CD1-ND1 3.99Å; Y65-H438 AromaticContact CD1-NE2 3.21Å; Y65-H438 WeakPolarHBondContact CD1-NE2 3.46Å; Y65-H438 AromaticContact CE1-CE1 2.85Å; Y65-H438 WeakPolarHBondContact CE1-CE1 3.34Å; Y65-H438 AromaticContact CE1-ND1 3.49Å; Y65-H438 WeakPolarHBondContact CE1-ND1 3.43Å; Y65-H438 AromaticContact CE1-NE2 3.42Å; Y65-H438 WeakPolarHBondContact CE1-NE2 3.1Å; Y65-H438 AromaticContact CZ-CE1 3.6Å; Y65-I441 HydrophobicContact CD1-CG2 4.44Å; Y65-I441 HydrophobicContact CD2-CG2 4.29Å; Y65-I441 HydrophobicContact CE1-CD1 4.37Å; Y65-I441 HydrophobicContact CE2-CD1 3.86Å; Y65-I441 HydrophobicContact CG-CG2 4.2Å
66	I	47.2	Very low	46.2	Very low	92 Å²	92	88.9 Å²	88.9	47%	0.472	45%	0.446	S	S	.	.			trans	-123	112.9	163.4	-56.4	178.8	0	0	0	107.2	Y64 T70 R71 L74	Y64-I66 PolarHBondContact O-N 3.26Å; I66-T70 HydrophobicContact CG2-CG2 3.95Å; I66-R71 HydrophobicContact CG2-CB 3.88Å; I66-L74 HydrophobicContact CD1-CD1 4.31Å; I66-L74 HydrophobicContact CG2-CD1 3.89Å
67	S	46.5	Very low	47.3	Very low	20 Å²	20	92.1 Å²	92.1	14%	0.14	46%	0.457	C	S	.	.			trans	-56.4	152.5	-179.1	84.9	0	0	0	0	111.4	Y65 R69 T70 R71	Y65-S67 WeakPolarHBondContact OH-CA 3.07Å; Y65-S67 WeakPolarHBondContact OH-CB 3.47Å; S67-R69 PolarHBondContact O-N 3.36Å; S67-R69 VanDerWaalsContact O-N 3.17Å; S67-T70 CarbonylContact O-C 3.58Å; S67-T70 PolarHBondContact O-N 2.98Å; S67-T70 WeakPolarHBondContact OG-CB 3.5Å; S67-T70 PolarHBondContact OG-N 2.98Å; S67-T70 PolarHBondContact OG-OG1 2.76Å; S67-R71 WeakPolarHBondContact O-CB 3.47Å; S67-R71 PolarHBondContact O-N 3.05Å
68	K	42.8	Very low	48.4	Very low	109 Å²	109	99 Å²	99	47%	0.474	48%	0.478	S	S	.	.	H	α-helix	trans	-50.6	-44.4	176.8	-177.4	-162.9	160	-158.6	0	111.4	R71 E72	K68-R71 PolarHBondContact O-N 3.5Å; K68-E72 VanDerWaalsContact CE-CD 3.45Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 WeakPolarHBondContact CE-OE2 3.19Å; K68-E72 IonicContact NZ-OE1 2.63Å; K68-E72 IonicContact NZ-OE2 3.79Å; K68-E72 WeakPolarHBondContact O-CB 3.4Å; K68-E72 WeakPolarHBondContact O-CG 3.44Å; K68-E72 PolarHBondContact O-N 2.89Å
69	R	47.4	Very low	48.8	Very low	160 Å²	160	103.6 Å²	103.6	60%	0.604	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-50.3	176.5	176.4	174.6	176.6	166.3	2	112	S67 R71 E72 E73	S67-R69 PolarHBondContact O-N 3.36Å; S67-R69 VanDerWaalsContact O-N 3.17Å; R69-R71 VanDerWaalsContact C-N 3.25Å; R69-R71 PolarHBondContact O-N 2.69Å; R69-E72 PolarHBondContact O-N 3.32Å; R69-E72 VanDerWaalsContact O-N 3.14Å; R69-E73 HydrophobicContact CG-CG 4.42Å; R69-E73 VanDerWaalsContact CG-OE1 3.26Å; R69-E73 WeakPolarHBondContact CG-OE1 3.44Å; R69-E73 IonicContact CZ-OE1 3.66Å; R69-E73 IonicContact NE-OE1 2.69Å; R69-E73 PolarHBondContact NE-OE1 3.24Å; R69-E73 IonicContact NH2-OE1 3.56Å; R69-E73 WeakPolarHBondContact O-CB 3.22Å; R69-E73 VanDerWaalsContact O-CG 3.29Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 3.12Å
70	T	49.9	Very low	50	Low	59 Å²	59	102.4 Å²	102.4	36%	0.362	49%	0.493	S	S	.	.	H	α-helix	trans	-61.8	-35	177.4	-49.2	0	0	0	0	111.5	I66 S67 L74	I66-T70 HydrophobicContact CG2-CG2 3.95Å; S67-T70 CarbonylContact O-C 3.58Å; S67-T70 PolarHBondContact O-N 2.98Å; S67-T70 WeakPolarHBondContact OG-CB 3.5Å; S67-T70 PolarHBondContact OG-N 2.98Å; S67-T70 PolarHBondContact OG-OG1 2.76Å; T70-L74 HydrophobicContact CG2-CD1 4.14Å; T70-L74 VanDerWaalsContact O-CB 3.28Å; T70-L74 WeakPolarHBondContact O-CB 3.44Å; T70-L74 WeakPolarHBondContact O-CD1 3.25Å; T70-L74 WeakPolarHBondContact O-CG 3.44Å; T70-L74 PolarHBondContact O-N 2.81Å
71	R	47.3	Very low	51.6	Low	145 Å²	145	105.7 Å²	105.7	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-69.5	-39.6	175	-170.6	-178.4	67.3	-171	-2.3	111.5	I66 S67 K68 R69 M75	I66-R71 HydrophobicContact CG2-CB 3.88Å; S67-R71 WeakPolarHBondContact O-CB 3.47Å; S67-R71 PolarHBondContact O-N 3.05Å; K68-R71 PolarHBondContact O-N 3.5Å; R69-R71 VanDerWaalsContact C-N 3.25Å; R69-R71 PolarHBondContact O-N 2.69Å; R71-M75 VanDerWaalsContact O-CB 3.26Å; R71-M75 WeakPolarHBondContact O-CB 3.48Å; R71-M75 WeakPolarHBondContact O-CG 3.05Å; R71-M75 PolarHBondContact O-N 3.43Å
72	E	54.9	Low	53	Low	102 Å²	102	106.2 Å²	106.2	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-69.2	-38.9	174.9	-74.8	168.1	167.9	0	0	111.4	K68 R69 M75 A76	K68-E72 VanDerWaalsContact CE-CD 3.45Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 WeakPolarHBondContact CE-OE2 3.19Å; K68-E72 IonicContact NZ-OE1 2.63Å; K68-E72 IonicContact NZ-OE2 3.79Å; K68-E72 WeakPolarHBondContact O-CB 3.4Å; K68-E72 WeakPolarHBondContact O-CG 3.44Å; K68-E72 PolarHBondContact O-N 2.89Å; R69-E72 PolarHBondContact O-N 3.32Å; R69-E72 VanDerWaalsContact O-N 3.14Å; E72-M75 PolarHBondContact O-N 2.84Å; E72-A76 VanDerWaalsContact O-CB 3.3Å; E72-A76 WeakPolarHBondContact O-CB 3.48Å; E72-A76 PolarHBondContact O-N 3.13Å
73	E	59.2	Low	54.8	Low	85 Å²	85	108 Å²	108	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-65.1	-41.5	172	-71.3	165.8	178.1	0	0	112.2	R69 A76 K77	R69-E73 HydrophobicContact CG-CG 4.42Å; R69-E73 VanDerWaalsContact CG-OE1 3.26Å; R69-E73 WeakPolarHBondContact CG-OE1 3.44Å; R69-E73 IonicContact CZ-OE1 3.66Å; R69-E73 IonicContact NE-OE1 2.69Å; R69-E73 PolarHBondContact NE-OE1 3.24Å; R69-E73 IonicContact NH2-OE1 3.56Å; R69-E73 WeakPolarHBondContact O-CB 3.22Å; R69-E73 VanDerWaalsContact O-CG 3.29Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 3.12Å; E73-A76 PolarHBondContact O-N 2.83Å; E73-K77 WeakPolarHBondContact O-CG 3.41Å; E73-K77 PolarHBondContact O-N 3.41Å
74	L	51.4	Low	56.8	Low	84 Å²	84	110 Å²	110	44%	0.44	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-45.3	173.7	-77	166.5	0	0	0	111.6	I66 T70 A76 K77 W78	I66-L74 HydrophobicContact CD1-CD1 4.31Å; I66-L74 HydrophobicContact CG2-CD1 3.89Å; T70-L74 HydrophobicContact CG2-CD1 4.14Å; T70-L74 VanDerWaalsContact O-CB 3.28Å; T70-L74 WeakPolarHBondContact O-CB 3.44Å; T70-L74 WeakPolarHBondContact O-CD1 3.25Å; T70-L74 WeakPolarHBondContact O-CG 3.44Å; T70-L74 PolarHBondContact O-N 2.81Å; L74-A76 VanDerWaalsContact C-N 3.28Å; L74-A76 PolarHBondContact O-N 3.47Å; L74-K77 PolarHBondContact O-N 3.27Å; L74-W78 WeakPolarHBondContact O-CB 3.49Å; L74-W78 PolarHBondContact O-N 3.23Å
75	M	45.9	Very low	58.4	Low	110 Å²	110	108 Å²	108	54%	0.542	50%	0.498	S	S	.	.	H	α-helix	trans	-64.1	-32.9	176.1	-72.1	-75.1	-77.4	0	0	112.1	R71 E72 K79	R71-M75 VanDerWaalsContact O-CB 3.26Å; R71-M75 WeakPolarHBondContact O-CB 3.48Å; R71-M75 WeakPolarHBondContact O-CG 3.05Å; R71-M75 PolarHBondContact O-N 3.43Å; E72-M75 PolarHBondContact O-N 2.84Å; M75-K79 WeakPolarHBondContact O-CB 3.5Å; M75-K79 WeakPolarHBondContact O-CG 3.47Å; M75-K79 PolarHBondContact O-N 3.01Å
76	A	66.8	Low	59.6	Low	54 Å²	54	108.1 Å²	108.1	45%	0.446	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-44.9	172.4	0	0	0	0	0	111.9	E72 E73 L74 W78 K79 M80	E72-A76 VanDerWaalsContact O-CB 3.3Å; E72-A76 WeakPolarHBondContact O-CB 3.48Å; E72-A76 PolarHBondContact O-N 3.13Å; E73-A76 PolarHBondContact O-N 2.83Å; L74-A76 VanDerWaalsContact C-N 3.28Å; L74-A76 PolarHBondContact O-N 3.47Å; A76-W78 PolarHBondContact O-N 2.86Å; A76-K79 PolarHBondContact O-N 3.41Å; A76-M80 WeakPolarHBondContact O-CG 3.41Å; A76-M80 PolarHBondContact O-N 3.23Å
77	K	67.8	Low	60.9	Low	149 Å²	149	110.4 Å²	110.4	65%	0.648	52%	0.516	S	S	*	.	H	α-helix	trans	-58.6	-46	172.4	-74.4	174.7	179.1	179	0	111.6	E73 L74 K79 M80 E81	E73-K77 WeakPolarHBondContact O-CG 3.41Å; E73-K77 PolarHBondContact O-N 3.41Å; L74-K77 PolarHBondContact O-N 3.27Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.03Å; K77-M80 PolarHBondContact O-N 2.87Å; K77-E81 PolarHBondContact O-N 2.98Å
78	W	64.2	Low	62	Low	198 Å²	198	114.2 Å²	114.2	75%	0.75	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-36.2	-178.8	-141.6	57.7	0	0	0	112.3	L74 A76 E81 A82	L74-W78 WeakPolarHBondContact O-CB 3.49Å; L74-W78 PolarHBondContact O-N 3.23Å; A76-W78 PolarHBondContact O-N 2.86Å; W78-E81 PolarHBondContact O-N 2.96Å; W78-A82 VanDerWaalsContact O-CB 3.26Å; W78-A82 WeakPolarHBondContact O-CB 3.4Å; W78-A82 PolarHBondContact O-N 2.87Å
79	K	61.8	Low	63.1	Low	140 Å²	140	114.5 Å²	114.5	61%	0.609	54%	0.539	S	S	*	.	H	α-helix	trans	-63.1	-49.6	169.9	-79.3	-179.6	174.4	-171.9	0	112.6	M75 A76 K77 E81 A82 E83	M75-K79 WeakPolarHBondContact O-CB 3.5Å; M75-K79 WeakPolarHBondContact O-CG 3.47Å; M75-K79 PolarHBondContact O-N 3.01Å; A76-K79 PolarHBondContact O-N 3.41Å; K77-K79 VanDerWaalsContact C-N 3.35Å; K77-K79 PolarHBondContact O-N 3.03Å; K79-E81 PolarHBondContact O-N 2.91Å; K79-A82 PolarHBondContact O-N 3.39Å; K79-E83 WeakPolarHBondContact O-CG 3.49Å; K79-E83 PolarHBondContact O-N 2.9Å
80	M	72.1	Confident	64.1	Low	122 Å²	122	110 Å²	110	60%	0.601	53%	0.532	S	S	*	.	H	α-helix	trans	-59.3	-35.8	177.9	-72.3	-75.2	-72.4	0	0	112.2	A76 K77 K84	A76-M80 WeakPolarHBondContact O-CG 3.41Å; A76-M80 PolarHBondContact O-N 3.23Å; K77-M80 PolarHBondContact O-N 2.87Å; M80-K84 WeakPolarHBondContact O-CG 3.38Å; M80-K84 PolarHBondContact O-N 3.2Å; M80-K84 VanDerWaalsContact O-N 3.14Å
81	E	71.4	Confident	65	Low	92 Å²	92	111.4 Å²	111.4	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-76	-38.1	176.2	-158.5	-178.1	145.6	0	0	112.5	K77 W78 K79 K84 R85	K77-E81 PolarHBondContact O-N 2.98Å; W78-E81 PolarHBondContact O-N 2.96Å; K79-E81 PolarHBondContact O-N 2.91Å; E81-K84 PolarHBondContact O-N 3.19Å; E81-R85 WeakPolarHBondContact O-CG 3.5Å; E81-R85 PolarHBondContact O-N 2.77Å; E81-R85 IonicContact OE1-CZ 3.2Å; E81-R85 IonicContact OE1-NE 2.92Å; E81-R85 PolarHBondContact OE1-NE 3.21Å; E81-R85 IonicContact OE1-NH2 3.8Å; E81-R85 PolarHBondContact OE1-NH2 2.98Å
82	A	65.8	Low	65.9	Low	56 Å²	56	108.1 Å²	108.1	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-41.2	172.9	0	0	0	0	0	112.1	W78 K79 R85 A86	W78-A82 VanDerWaalsContact O-CB 3.26Å; W78-A82 WeakPolarHBondContact O-CB 3.4Å; W78-A82 PolarHBondContact O-N 2.87Å; K79-A82 PolarHBondContact O-N 3.39Å; A82-R85 PolarHBondContact O-N 3.1Å; A82-A86 VanDerWaalsContact O-CB 3.31Å; A82-A86 WeakPolarHBondContact O-CB 3.36Å; A82-A86 PolarHBondContact O-N 2.7Å
83	E	73.2	Confident	66.1	Low	129 Å²	129	107.7 Å²	107.7	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-64.7	-41.4	174.5	-74.9	175.8	178.2	0	0	111.7	K79 A86 K87	K79-E83 WeakPolarHBondContact O-CG 3.49Å; K79-E83 PolarHBondContact O-N 2.9Å; E83-A86 PolarHBondContact O-N 3.22Å; E83-K87 WeakPolarHBondContact O-CB 3.23Å; E83-K87 PolarHBondContact O-N 2.91Å
84	K	75.5	Confident	66.3	Low	156 Å²	156	108.5 Å²	108.5	68%	0.678	53%	0.534	S	S	*	.	H	α-helix	trans	-60.2	-45.4	171.6	-80.8	-176.6	174.4	-173.2	0	112.5	M80 E81 K87 L88	M80-K84 WeakPolarHBondContact O-CG 3.38Å; M80-K84 PolarHBondContact O-N 3.2Å; M80-K84 VanDerWaalsContact O-N 3.14Å; E81-K84 PolarHBondContact O-N 3.19Å; K84-K87 PolarHBondContact O-N 3.17Å; K84-L88 WeakPolarHBondContact O-CB 3.4Å; K84-L88 PolarHBondContact O-N 2.87Å
85	R	71	Confident	66.5	Low	157 Å²	157	111 Å²	111	59%	0.592	55%	0.545	S	S	*	.	H	α-helix	trans	-65.7	-40.4	177.5	-70.5	176.5	-172.5	-144.2	5.3	111.7	E81 A82 L88 M89	E81-R85 WeakPolarHBondContact O-CG 3.5Å; E81-R85 PolarHBondContact O-N 2.77Å; E81-R85 IonicContact OE1-CZ 3.2Å; E81-R85 IonicContact OE1-NE 2.92Å; E81-R85 PolarHBondContact OE1-NE 3.21Å; E81-R85 IonicContact OE1-NH2 3.8Å; E81-R85 PolarHBondContact OE1-NH2 2.98Å; A82-R85 PolarHBondContact O-N 3.1Å; R85-L88 PolarHBondContact O-N 3.08Å; R85-M89 WeakPolarHBondContact O-CG 3.32Å; R85-M89 PolarHBondContact O-N 2.75Å
86	A	69.6	Low	66.8	Low	52 Å²	52	111.5 Å²	111.5	43%	0.43	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.5	0	0	0	0	0	111.9	A82 E83 M89 S90	A82-A86 VanDerWaalsContact O-CB 3.31Å; A82-A86 WeakPolarHBondContact O-CB 3.36Å; A82-A86 PolarHBondContact O-N 2.7Å; E83-A86 PolarHBondContact O-N 3.22Å; A86-M89 PolarHBondContact O-N 3.02Å; A86-S90 PolarHBondContact O-N 3.48Å
87	K	73.7	Confident	66	Low	139 Å²	139	114.2 Å²	114.2	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-65.2	-44.3	175.9	-162.9	-177.8	-178.8	-163.9	0	112	E83 K84 M89 S90 E91	E83-K87 WeakPolarHBondContact O-CB 3.23Å; E83-K87 PolarHBondContact O-N 2.91Å; K84-K87 PolarHBondContact O-N 3.17Å; K87-M89 VanDerWaalsContact C-N 3.34Å; K87-M89 PolarHBondContact O-N 3.19Å; K87-S90 WeakPolarHBondContact O-CB 3.43Å; K87-S90 PolarHBondContact O-N 3.08Å; K87-S90 VanDerWaalsContact O-N 3.11Å; K87-E91 WeakPolarHBondContact CE-OE1 3.42Å; K87-E91 IonicContact NZ-OE1 3.56Å; K87-E91 WeakPolarHBondContact O-CG 3.47Å; K87-E91 PolarHBondContact O-N 2.77Å
88	L	71.6	Confident	64.9	Low	100 Å²	100	113.7 Å²	113.7	52%	0.524	55%	0.554	S	S	.	*	H	α-helix	trans	-60.6	-41.3	175	-171.1	72.1	0	0	0	112.1	K84 R85 S90 E91 I92	K84-L88 WeakPolarHBondContact O-CB 3.4Å; K84-L88 PolarHBondContact O-N 2.87Å; R85-L88 PolarHBondContact O-N 3.08Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-E91 PolarHBondContact O-N 3.17Å; L88-I92 HydrophobicContact CG-CD1 4.08Å; L88-I92 WeakPolarHBondContact O-CB 3.5Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.48Å
89	M	64.3	Low	64.1	Low	116 Å²	116	112.1 Å²	112.1	57%	0.571	56%	0.555	S	S	*	*	H	α-helix	trans	-66.6	-34.1	174.1	-71.7	-174.9	-61.7	0	0	112.5	R85 A86 K87 I92 N93	R85-M89 WeakPolarHBondContact O-CG 3.32Å; R85-M89 PolarHBondContact O-N 2.75Å; A86-M89 PolarHBondContact O-N 3.02Å; K87-M89 VanDerWaalsContact C-N 3.34Å; K87-M89 PolarHBondContact O-N 3.19Å; M89-I92 PolarHBondContact O-N 2.89Å; M89-N93 WeakPolarHBondContact O-CB 3.48Å; M89-N93 PolarHBondContact O-N 2.91Å
90	S	69.3	Low	63.2	Low	65 Å²	65	113.9 Å²	113.9	46%	0.455	56%	0.563	S	S	.	*	H	α-helix	trans	-64.5	-43.1	172.5	-169.1	0	0	0	0	111.7	A86 K87 L88 N93 I94	A86-S90 PolarHBondContact O-N 3.48Å; K87-S90 WeakPolarHBondContact O-CB 3.43Å; K87-S90 PolarHBondContact O-N 3.08Å; K87-S90 VanDerWaalsContact O-N 3.11Å; L88-S90 VanDerWaalsContact C-N 3.34Å; S90-N93 PolarHBondContact O-N 3.13Å; S90-I94 WeakPolarHBondContact O-CD1 3.31Å; S90-I94 VanDerWaalsContact O-CG1 3.25Å; S90-I94 WeakPolarHBondContact O-CG1 3.39Å; S90-I94 PolarHBondContact O-N 3.08Å
91	E	68.2	Low	61.4	Low	88 Å²	88	112.7 Å²	112.7	41%	0.411	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-39.5	177.8	-70.8	161.9	-176	0	0	111	K87 L88 M95	K87-E91 WeakPolarHBondContact CE-OE1 3.42Å; K87-E91 IonicContact NZ-OE1 3.56Å; K87-E91 WeakPolarHBondContact O-CG 3.47Å; K87-E91 PolarHBondContact O-N 2.77Å; L88-E91 PolarHBondContact O-N 3.17Å; E91-M95 WeakPolarHBondContact O-CG 3.14Å; E91-M95 PolarHBondContact O-N 3.45Å
92	I	66.7	Low	59.6	Low	77 Å²	77	115.9 Å²	115.9	40%	0.395	59%	0.587	S	S	.	*	H	α-helix	trans	-67.4	-38.8	174.1	-69.4	165.1	0	0	0	112.5	L88 M89 M95 K96	L88-I92 HydrophobicContact CG-CD1 4.08Å; L88-I92 WeakPolarHBondContact O-CB 3.5Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 3.48Å; M89-I92 PolarHBondContact O-N 2.89Å; I92-M95 PolarHBondContact O-N 3.33Å; I92-K96 PolarHBondContact O-N 3.01Å
93	N	58.3	Low	57.8	Low	93 Å²	93	117.3 Å²	117.3	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-68.1	-41.7	176	-84.3	12.9	0	0	0	111.6	M89 S90 M95 K96 D97	M89-N93 WeakPolarHBondContact O-CB 3.48Å; M89-N93 PolarHBondContact O-N 2.91Å; S90-N93 PolarHBondContact O-N 3.13Å; N93-M95 PolarHBondContact O-N 3.44Å; N93-K96 PolarHBondContact O-N 3.28Å; N93-D97 PolarHBondContact O-N 2.99Å
94	I	63.7	Low	55.8	Low	101 Å²	101	120.4 Å²	120.4	52%	0.518	61%	0.613	S	S	.	*	H	α-helix	trans	-58.5	-36	175.6	-70.5	163.3	0	0	0	111.4	S90 L98	S90-I94 WeakPolarHBondContact O-CD1 3.31Å; S90-I94 VanDerWaalsContact O-CG1 3.25Å; S90-I94 WeakPolarHBondContact O-CG1 3.39Å; S90-I94 PolarHBondContact O-N 3.08Å; I94-L98 WeakPolarHBondContact O-CG 3.19Å
95	M	57	Low	53.5	Low	136 Å²	136	117.2 Å²	117.2	67%	0.67	61%	0.61	S	S	*	*	H	α-helix	trans	-67.4	-35.9	172.8	-70.2	179.4	178	0	0	113	E91 I92 N93	E91-M95 WeakPolarHBondContact O-CG 3.14Å; E91-M95 PolarHBondContact O-N 3.45Å; I92-M95 PolarHBondContact O-N 3.33Å; N93-M95 PolarHBondContact O-N 3.44Å
96	K	50.6	Low	51.4	Low	122 Å²	122	120.5 Å²	120.5	53%	0.53	62%	0.622	S	S	.	*	H	α-helix	trans	-79.1	-32.2	179.9	-74.4	-178	174	-176	0	114.2	I92 N93 L98 E99	I92-K96 PolarHBondContact O-N 3.01Å; N93-K96 PolarHBondContact O-N 3.28Å; K96-L98 PolarHBondContact O-N 2.83Å; K96-E99 PolarHBondContact O-N 3.47Å; K96-E99 VanDerWaalsContact O-N 3.11Å
97	D	50	Low	49.4	Very low	111 Å²	111	123.7 Å²	123.7	59%	0.594	64%	0.637	S	S	*	*	H	α-helix	trans	-70.8	-22.7	178.3	-66.3	-28.8	0	0	0	111.3	N93 E99	N93-D97 PolarHBondContact O-N 2.99Å; D97-E99 VanDerWaalsContact C-N 3.34Å
98	L	46.3	Very low	47.2	Very low	137 Å²	137	125.1 Å²	125.1	72%	0.717	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-18.5	169.2	-73	168.3	0	0	0	114.1	I94 K96 K100	I94-L98 WeakPolarHBondContact O-CG 3.19Å; K96-L98 PolarHBondContact O-N 2.83Å; L98-K100 VanDerWaalsContact C-N 3.34Å
99	E	46.2	Very low	45	Very low	165 Å²	165	127.6 Å²	127.6	77%	0.771	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	2.3	176.5	-64.1	-177	137.3	0	0	112.8	K96 D97	K96-E99 PolarHBondContact O-N 3.47Å; K96-E99 VanDerWaalsContact O-N 3.11Å; D97-E99 VanDerWaalsContact C-N 3.34Å
100	K	42.7	Very low	43	Very low	178 Å²	178	128.2 Å²	128.2	77%	0.774	66%	0.66	S	S	*	*			trans	-126	12	-164.3	-115.8	-174.7	178.9	-170.3	0	116.5	L98	L98-K100 VanDerWaalsContact C-N 3.34Å
101	S	34.3	Very low	41.4	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	67%	0.67	S	S	*	*			trans	-80.9	-8.9	-178.5	53.8	0	0	0	0	115.5
102	D	33.3	Very low	39.4	Very low	160 Å²	160	132.9 Å²	132.9	86%	0.856	69%	0.686	S	S	*	*			trans	-105.5	83.7	-178.2	-74.9	-30.5	0	0	0	112.8
103	A	27.9	Very low	37.4	Very low	85 Å²	85	136 Å²	136	70%	0.702	70%	0.703	S	S	*	*			trans	177	105.8	146.5	0	0	0	0	0	113.6
104	E	32.3	Very low	35.7	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	72%	0.719	S	S	*	*			trans	41.1	172.4	135.9	-53.6	-171	140.9	0	0	123.8
105	S	26.3	Very low	33.7	Very low	88 Å²	88	144.7 Å²	144.7	62%	0.615	74%	0.735	S	S	*	*				-165.9	167.6	-85.3	61.8	0	0	0	0	111.8
106	R	27.9	Very low	32.4	Very low	226 Å²	226	144.3 Å²	144.3	85%	0.853	74%	0.742	S	S	*	*			trans	75.6	106.2	167.7	-57.9	171.7	-178.3	-172	-1.3	116.7
107	T	26.4	Very low	31.1	Very low	119 Å²	119	147.1 Å²	147.1	73%	0.73	76%	0.757	S	S	*	*				81.9	161.3	73.2	61.7	0	0	0	0	115.1
108	E	28	Very low	30.2	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	76%	0.761	S	S	*	*			cis	-167.1	174.9	9.6	-113.8	144.5	122.7	0	0	108.2
109	E	26.3	Very low	29	Very low	153 Å²	153	146.8 Å²	146.8	72%	0.715	77%	0.767	S	S	*	*				-164.9	160.4	-51.8	-116.8	-67.5	51	0	0	113.4
110	L	22.1	Very low	28.1	Very low	129 Å²	129	146.3 Å²	146.3	68%	0.675	77%	0.77	S	S	*	*			trans	67.7	173.6	152.1	-67.4	177.4	0	0	0	123.2
111	P	35.7	Very low	27.6	Very low	105 Å²	105	143.4 Å²	143.4	68%	0.682	77%	0.769	S	S	*	*			cis	-141.2	145.9	-29.2	30.7	-8.5	0	0	0	120.6
112	I	24.7	Very low	26.9	Very low	145 Å²	145	143.4 Å²	143.4	74%	0.744	78%	0.775	S	S	*	*				38.2	138.6	127.7	-30.2	167.1	0	0	0	124.9
113	I	25.2	Very low	26.7	Very low	144 Å²	144	141.1 Å²	141.1	74%	0.738	77%	0.772	S	S	*	*				164.2	119.7	124.3	-84.7	172.9	0	0	0	120.7
114	K	22.5	Very low	26.8	Very low	193 Å²	193	143.2 Å²	143.2	84%	0.839	78%	0.778	S	S	*	*			trans	68	165.1	139.9	-63.9	179.8	-175.3	175.3	0	128.4
115	H	22.4	Very low	26.4	Very low	183 Å²	183	140.2 Å²	140.2	85%	0.847	77%	0.773	S	S	*	*			trans	-91.2	-171.7	-166.2	-65.4	-74.5	0	0	0	116.2
116	P	29.2	Very low	26.2	Very low	128 Å²	128	142.7 Å²	142.7	83%	0.831	78%	0.784	S	S	*	*			cis	-144.4	-161.8	12.5	45.2	-22	0	0	0	119.6
117	Q	23.9	Very low	25.9	Very low	180 Å²	180	135.6 Å²	135.6	84%	0.841	77%	0.774	S	S	*	*			trans	-76.3	-179.4	174.4	-97.4	-175.7	-14.6	0	0	114.3
118	P	29.9	Very low	25.7	Very low	104 Å²	104	136.5 Å²	136.5	68%	0.675	78%	0.779	S	S	*	*			cis	-149.2	-159.2	26.3	44.6	-21.5	0	0	0	118.9
119	T	22.3	Very low	25.5	Very low	138 Å²	138	134.7 Å²	134.7	85%	0.847	78%	0.78	S	S	*	*			trans	89.7	134.2	152.3	35.9	0	0	0	0	124.5
120	D	27.8	Very low	25.6	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	79%	0.785	S	S	*	*			trans	-84.9	174.9	165.4	-113.5	-44.7	0	0	0	111
121	P	30.2	Very low	25.8	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	79%	0.79	S	S	*	*			cis	-157.9	-170.3	44.9	43.3	-19.8	0	0	0	119.9
122	A	21.3	Very low	25.6	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	79%	0.791	S	S	*	*			trans	106.5	142.9	138.2	0	0	0	0	0	122.1
123	S	27.9	Very low	25.6	Very low	113 Å²	113	135 Å²	135	79%	0.79	80%	0.795	S	S	*	*			trans	-115.5	173.5	-179.5	-42.6	0	0	0	0	112.9
124	P	29.8	Very low	25.6	Very low	129 Å²	129	132.3 Å²	132.3	84%	0.838	79%	0.794	S	S	*	*			trans	-129.9	-166.8	136.2	38.1	-27.7	0	0	0	113.6
125	T	24.4	Very low	25.9	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	80%	0.797	S	S	*	*			trans	-147.2	-171.2	-158.9	-43	0	0	0	0	111.7
126	V	23	Very low	25.9	Very low	140 Å²	140	126.5 Å²	126.5	85%	0.848	80%	0.795	S	S	*	*			trans	90.7	141.6	163.9	-169.3	0	0	0	0	114.2
127	A	21.1	Very low	25.6	Very low	77 Å²	77	124.2 Å²	124.2	64%	0.636	80%	0.795	S	S	*	*			cis	-150.3	140.4	16.1	0	0	0	0	0	117.2
128	T	22.7	Very low	25.6	Very low	138 Å²	138	124.6 Å²	124.6	85%	0.847	80%	0.797	S	S	*	*			trans	38	151.9	132.3	45.1	0	0	0	0	128.4
129	T	23.1	Very low	25.3	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	80%	0.796	S	S	*	*			trans	-72.2	-176.9	175.8	5.5	0	0	0	0	115.8
130	P	29	Very low	25.6	Very low	125 Å²	125	127.8 Å²	127.8	81%	0.812	79%	0.79	S	S	*	*			cis	-149.3	-172.5	41.5	44.4	-21.2	0	0	0	120.6
131	E	25.1	Very low	25.4	Very low	169 Å²	169	126.8 Å²	126.8	79%	0.79	79%	0.79	S	S	*	*			trans	-78.6	175.2	178.3	-132	177.4	-121.6	0	0	113.9
132	P	31.6	Very low	25.1	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	80%	0.796	S	S	*	*				-162.4	158	72.9	42.4	-19.9	0	0	0	121.8
133	V	24.5	Very low	25.4	Very low	136 Å²	136	131.9 Å²	131.9	82%	0.824	80%	0.801	S	S	*	*			trans	70.8	157.1	136.4	173.1	0	0	0	0	122.6
134	A	26.9	Very low	25.5	Very low	87 Å²	87	133.4 Å²	133.4	72%	0.719	79%	0.793	S	S	*	*			trans	-128.7	-176.1	-167.4	0	0	0	0	0	114.9
135	I	27.6	Very low	25.4	Very low	176 Å²	176	132.8 Å²	132.8	90%	0.903	79%	0.792	S	S	*	*			trans	-159	155.4	166.1	-99.7	150.3	0	0	0	109.9
136	G	22.9	Very low	25.5	Very low	78 Å²	78	131.6 Å²	131.6	80%	0.804	79%	0.789	S	S	*	*			trans	-132.3	-169.6	-179.7	0	0	0	0	0	115.3
137	G	22.4	Very low	26.1	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	79%	0.791	S	S	*	*			trans	-176.7	160.6	179.2	0	0	0	0	0	113.3
138	E	23.8	Very low	27	Very low	189 Å²	189	133.5 Å²	133.5	88%	0.883	79%	0.787	S	S	*	*			trans	-121.2	174.3	-154.1	-56.6	174.9	109.1	0	0	116.8
139	E	24.1	Very low	28.5	Very low	143 Å²	143	134 Å²	134	67%	0.668	78%	0.78	S	S	*	*			trans	105.3	136.9	135.1	-97.3	-156.2	135.8	0	0	124.6
140	K	27.7	Very low	30.4	Very low	165 Å²	165	130.5 Å²	130.5	72%	0.717	76%	0.759	S	S	*	*			trans	95.3	153.1	142.4	-82.2	171.9	168.9	102.7	0	122.2
141	T	23.5	Very low	32.5	Very low	133 Å²	133	125.9 Å²	125.9	82%	0.816	73%	0.727	S	S	*	*			trans	-139.8	160.1	-151.3	47.8	0	0	0	0	112.9
142	S	25.4	Very low	35.2	Very low	126 Å²	126	119 Å²	119	88%	0.881	69%	0.694	S	S	*	*			trans	-168.7	162.5	156.9	-84.4	0	0	0	0	111.6
143	Q	26.9	Very low	37.2	Very low	194 Å²	194	121.3 Å²	121.3	91%	0.907	70%	0.695	S	S	*	*			trans	-115.9	159.8	-160	-67.7	173.1	-68.9	0	0	116.6
144	K	30.2	Very low	39.5	Very low	146 Å²	146	117.2 Å²	117.2	64%	0.635	67%	0.669	S	S	*	*			trans	-5.1	149.2	159.3	-68.9	-165.6	174.3	-158.2	0	120.9	E300	K144-E300 IonicContact NZ-OE1 3.18Å; K144-E300 PolarHBondContact NZ-OE1 2.95Å; K144-E300 IonicContact NZ-OE2 3.81Å; K144-E300 PolarHBondContact NZ-OE2 3.17Å
145	S	28	Very low	41.7	Very low	115 Å²	115	116.8 Å²	116.8	80%	0.804	67%	0.673	S	S	*	*				-173.3	124.1	110.2	34.3	0	0	0	0	114.6
146	S	26.9	Very low	44	Very low	106 Å²	106	113.2 Å²	113.2	74%	0.741	65%	0.648	S	S	*	*	S	Bend	trans	170.4	120.5	131.2	39.7	0	0	0	0	111.1
147	D	34.1	Very low	46.6	Very low	165 Å²	165	111.5 Å²	111.5	88%	0.882	63%	0.63	S	S	*	*			trans	38.2	107.3	155.1	-48.3	-22.4	0	0	0	119.6
148	T	41	Very low	49.7	Very low	93 Å²	93	109.1 Å²	109.1	57%	0.571	60%	0.597	S	S	*	*			trans	-117.8	95.7	174	-53.8	0	0	0	0	111.1	E300	T148-E300 PolarHBondContact OG1-OE1 3.14Å
149	E	53.1	Low	52.8	Low	149 Å²	149	101.2 Å²	101.2	70%	0.696	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-59.1	122	158.6	-82.2	-68.3	145.1	0	0	108.9	R188	E149-R188 PolarHBondContact O-NH1 2.71Å; E149-R188 PolarHBondContact O-NH2 3.17Å
150	P	63.4	Low	55.9	Low	57 Å²	57	96.2 Å²	96.2	37%	0.37	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-58.4	145.2	-171.6	22	-32.2	0	0	0	112.4	E153 R188	P150-E153 HydrophobicContact CB-CG 4.01Å; P150-E153 HydrophobicContact CG-CB 4.25Å; P150-E153 HydrophobicContact CG-CG 4.11Å; P150-E153 VanDerWaalsContact CG-OE2 3.25Å; P150-E153 WeakPolarHBondContact CG-OE2 3.39Å; P150-R188 PolarHBondContact O-NH2 2.78Å
151	E	74.1	Confident	58.8	Low	28 Å²	28	88.5 Å²	88.5	13%	0.131	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	123.5	-172.3	-173.1	177.5	179.9	0	0	111.1	I160 S180 W181	E151-I160 HydrophobicContact CB-CD1 4.08Å; E151-I160 HydrophobicContact CG-CD1 4.37Å; E151-S180 WeakPolarHBondContact OE1-CA 3.48Å; E151-S180 VanDerWaalsContact OE2-CA 3.29Å; E151-S180 WeakPolarHBondContact OE2-CA 3.38Å; E151-S180 WeakPolarHBondContact OE2-CB 3.17Å; E151-S180 PolarHBondContact OE2-OG 3.39Å; E151-W181 VanDerWaalsContact OE1-CD1 3.26Å; E151-W181 PolarHBondContact OE1-N 2.9Å; E151-W181 VanDerWaalsContact OE2-CD1 3.22Å; E151-W181 PolarHBondContact OE2-N 3.1Å
152	Y	81.1	Confident	62.1	Low	24 Å²	24	85 Å²	85	9%	0.094	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	11.2	179.6	-47.5	-45.2	0	0	0	117.8	D154 I160 I178 V179 A189 W195	Y152-D154 PolarHBondContact O-N 2.93Å; Y152-I160 HydrophobicContact CD2-CG1 3.73Å; Y152-I160 HydrophobicContact CE2-CG1 4.02Å; Y152-I178 HydrophobicContact CD2-CG2 3.84Å; Y152-I178 HydrophobicContact CE2-CG2 3.69Å; Y152-V179 WeakPolarHBondContact CE2-O 3.26Å; Y152-V179 PolarHBondContact OH-O 2.99Å; Y152-A189 HydrophobicContact CE1-CB 4.11Å; Y152-W195 PolarHBondContact OH-N 3.25Å
153	E	72.5	Confident	65.5	Low	158 Å²	158	79.4 Å²	79.4	74%	0.738	45%	0.445	S	S	*	.			trans	-74.7	31	167.6	-62.4	-168.8	-179.5	0	0	113.4	P150 G155	P150-E153 HydrophobicContact CB-CG 4.01Å; P150-E153 HydrophobicContact CG-CB 4.25Å; P150-E153 HydrophobicContact CG-CG 4.11Å; P150-E153 VanDerWaalsContact CG-OE2 3.25Å; P150-E153 WeakPolarHBondContact CG-OE2 3.39Å; E153-G155 PolarHBondContact O-N 3.45Å
154	D	74.4	Confident	68.8	Low	51 Å²	51	70.1 Å²	70.1	27%	0.273	40%	0.402	S	S	.	.	S	Bend	trans	-82.9	14.3	-176.1	78.9	-6.3	0	0	0	114.4	Y152 R156 G192 R194	Y152-D154 PolarHBondContact O-N 2.93Å; D154-R156 VanDerWaalsContact CG-NH2 3.33Å; D154-R156 PolarHBondContact O-N 2.95Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R156 WeakPolarHBondContact OD1-CB 3.39Å; D154-R156 PolarHBondContact OD1-N 3.15Å; D154-R156 IonicContact OD1-NE 3.9Å; D154-R156 IonicContact OD2-CZ 2.76Å; D154-R156 IonicContact OD2-NE 2.78Å; D154-R156 PolarHBondContact OD2-NE 3.49Å; D154-R156 VanDerWaalsContact OD2-NE 3.08Å; D154-R156 IonicContact OD2-NH2 3.72Å; D154-R156 PolarHBondContact OD2-NH2 3.14Å; D154-G192 PolarHBondContact OD2-N 2.8Å; D154-R194 IonicContact OD1-CZ 3.88Å; D154-R194 IonicContact OD1-NH1 2.84Å; D154-R194 IonicContact OD1-NH2 3.42Å; D154-R194 PolarHBondContact OD1-NH2 3.25Å; D154-R194 IonicContact OD2-CZ 3.7Å; D154-R194 IonicContact OD2-NH1 3.69Å; D154-R194 PolarHBondContact OD2-NH1 3.1Å; D154-R194 IonicContact OD2-NH2 3.97Å
155	G	72.6	Confident	72	Confident	77 Å²	77	63.2 Å²	63.2	79%	0.794	37%	0.372	S	S	*	.	S	Bend	trans	69.8	-4.8	-178.5	0	0	0	0	0	116.2	E153	E153-G155 PolarHBondContact O-N 3.45Å
156	R	74.9	Confident	75.1	Confident	102 Å²	102	57.7 Å²	57.7	39%	0.385	33%	0.334	S	S	.	.	S	Bend	trans	-94.6	13.5	-175.7	-66.1	175.8	-72.8	-125.5	-9.9	114.5	D154 E191 V209	D154-R156 VanDerWaalsContact CG-NH2 3.33Å; D154-R156 PolarHBondContact O-N 2.95Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R156 WeakPolarHBondContact OD1-CB 3.39Å; D154-R156 PolarHBondContact OD1-N 3.15Å; D154-R156 IonicContact OD1-NE 3.9Å; D154-R156 IonicContact OD2-CZ 2.76Å; D154-R156 IonicContact OD2-NE 2.78Å; D154-R156 PolarHBondContact OD2-NE 3.49Å; D154-R156 VanDerWaalsContact OD2-NE 3.08Å; D154-R156 IonicContact OD2-NH2 3.72Å; D154-R156 PolarHBondContact OD2-NH2 3.14Å; R156-E191 IonicContact CZ-OE1 2.75Å; R156-E191 VanDerWaalsContact CZ-OE1 3.26Å; R156-E191 IonicContact NH1-OE1 3.67Å; R156-E191 PolarHBondContact NH1-OE1 2.92Å; R156-E191 VanDerWaalsContact NH2-CG 3.33Å; R156-E191 IonicContact NH2-OE1 2.9Å; R156-E191 PolarHBondContact NH2-OE1 2.95Å; R156-V209 HydrophobicContact CB-CG2 4.47Å; R156-V209 WeakPolarHBondContact O-CG1 3.45Å
157	G	79	Confident	78.1	Confident	42 Å²	42	56.7 Å²	56.7	43%	0.433	32%	0.316	S	S	.	.	S	Bend	trans	76.5	178.8	174.5	0	0	0	0	0	114.7	R194	G157-R194 PolarHBondContact O-NE 3.5Å; G157-R194 PolarHBondContact O-NH2 3.45Å
158	F	86.6	Confident	80.2	Confident	29 Å²	29	51.2 Å²	51.2	13%	0.127	29%	0.286	C	S	.	.			trans	58.1	77.1	-176.4	-53.1	-65.4	0	0	0	113.6	E162 V164 I178 R194 V209 L212 P214	F158-E162 VanDerWaalsContact CA-OE1 3.3Å; F158-E162 WeakPolarHBondContact CA-OE1 3.47Å; F158-E162 WeakPolarHBondContact CD1-OE2 3.49Å; F158-V164 HydrophobicContact CD1-CG1 3.49Å; F158-V164 VanDerWaalsContact CD1-CG1 3.49Å; F158-V164 HydrophobicContact CE1-CG1 3.81Å; F158-V164 HydrophobicContact CG-CG1 4.29Å; F158-I178 HydrophobicContact CB-CD1 4.28Å; F158-I178 HydrophobicContact CB-CG1 4.17Å; F158-R194 HydrophobicContact CB-CG 4.37Å; F158-R194 WeakPolarHBondContact O-CD 3.29Å; F158-R194 PolarHBondContact O-NE 3.23Å; F158-V209 HydrophobicContact CD2-CG1 4.13Å; F158-V209 HydrophobicContact CE2-CG1 4.21Å; F158-L212 HydrophobicContact CB-CD1 4.37Å; F158-L212 HydrophobicContact CD2-CB 3.97Å; F158-L212 HydrophobicContact CD2-CD1 3.95Å; F158-L212 HydrophobicContact CE1-CB 4.47Å; F158-L212 HydrophobicContact CE2-CB 3.62Å; F158-L212 HydrophobicContact CE2-CD1 4.47Å; F158-L212 HydrophobicContact CG-CD1 4.17Å; F158-L212 HydrophobicContact CZ-CB 3.89Å; F158-P214 HydrophobicContact CE1-CB 4.2Å
159	G	89.3	Confident	81.6	Confident	22 Å²	22	56.6 Å²	56.6	23%	0.227	30%	0.296	C	S	.	.			trans	-79.4	174.9	172.4	0	0	0	0	0	113.6	E162 I178	G159-E162 PolarHBondContact N-OE1 2.79Å; G159-E162 WeakPolarHBondContact O-CB 3.36Å; G159-E162 PolarHBondContact O-N 2.9Å; G159-I178 WeakPolarHBondContact O-CB 3.49Å; G159-I178 WeakPolarHBondContact O-CG2 3.46Å
160	I	89.8	Confident	82.6	Confident	39 Å²	39	53.5 Å²	53.5	20%	0.2	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	138.6	-179.7	-61.2	178.2	0	0	0	110.9	E151 Y152 E162 P292 E296	E151-I160 HydrophobicContact CB-CD1 4.08Å; E151-I160 HydrophobicContact CG-CD1 4.37Å; Y152-I160 HydrophobicContact CD2-CG1 3.73Å; Y152-I160 HydrophobicContact CE2-CG1 4.02Å; I160-E162 VanDerWaalsContact C-N 3.28Å; I160-E162 PolarHBondContact O-N 2.78Å; I160-P292 WeakPolarHBondContact O-CG 3.22Å; I160-E296 WeakPolarHBondContact CG2-O 3.49Å
161	G	87.9	Confident	83.4	Confident	2 Å²	2	55.6 Å²	55.6	2%	0.021	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-11	178.8	0	0	0	0	0	114.9	I178 R247	G161-I178 PolarHBondContact N-O 3.39Å; G161-R247 PolarHBondContact O-NH1 2.89Å; G161-R247 PolarHBondContact O-NH2 3.21Å
162	E	93.3	Very high	84.2	Confident	61 Å²	61	55.3 Å²	55.3	29%	0.285	31%	0.309	S	S	.	.			trans	-61.7	141.2	175.9	-77.3	-172	-130.5	0	0	112.3	F158 G159 I160 R177 I178 P292	F158-E162 VanDerWaalsContact CA-OE1 3.3Å; F158-E162 WeakPolarHBondContact CA-OE1 3.47Å; F158-E162 WeakPolarHBondContact CD1-OE2 3.49Å; G159-E162 PolarHBondContact N-OE1 2.79Å; G159-E162 WeakPolarHBondContact O-CB 3.36Å; G159-E162 PolarHBondContact O-N 2.9Å; I160-E162 VanDerWaalsContact C-N 3.28Å; I160-E162 PolarHBondContact O-N 2.78Å; E162-R177 CarbonylContact O-C 3.17Å; E162-R177 WeakPolarHBondContact O-CA 3.49Å; E162-I178 HydrophobicContact CB-CG1 4.07Å; E162-I178 PolarHBondContact O-N 2.99Å; E162-P292 HydrophobicContact CG-CG 4.39Å
163	L	95.6	Very high	84.8	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.037	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.4	173.7	-56.7	174.3	0	0	0	109.3	R177 F199 L215 V240 V243 A244	L163-R177 HydrophobicContact CD2-CB 4.22Å; L163-R177 HydrophobicContact CD2-CG 4.13Å; L163-F199 HydrophobicContact CD2-CE2 3.91Å; L163-F199 HydrophobicContact CD2-CZ 3.87Å; L163-L215 HydrophobicContact CB-CB 3.75Å; L163-L215 HydrophobicContact CB-CD2 3.79Å; L163-L215 HydrophobicContact CB-CG 4.32Å; L163-L215 HydrophobicContact CD1-CD2 3.7Å; L163-L215 HydrophobicContact CG-CD2 4.38Å; L163-L215 WeakPolarHBondContact O-CB 3.24Å; L163-L215 PolarHBondContact O-N 3.02Å; L163-V240 HydrophobicContact CD1-CG2 4.48Å; L163-V240 HydrophobicContact CD2-CG2 4.42Å; L163-V243 HydrophobicContact CD1-CG1 4.06Å; L163-V243 HydrophobicContact CD2-CG1 4.1Å; L163-A244 HydrophobicContact CD1-CB 4.39Å
164	V	96.6	Very high	85.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.9	-171.4	-66	0	0	0	0	112.1	F158 P175 G176 I178 V196 L212 L213	F158-V164 HydrophobicContact CD1-CG1 3.49Å; F158-V164 VanDerWaalsContact CD1-CG1 3.49Å; F158-V164 HydrophobicContact CE1-CG1 3.81Å; F158-V164 HydrophobicContact CG-CG1 4.29Å; V164-P175 CarbonylContact O-C 3.6Å; V164-P175 WeakPolarHBondContact O-CA 3.38Å; V164-G176 PolarHBondContact N-O 3.35Å; V164-G176 PolarHBondContact O-N 2.86Å; V164-I178 HydrophobicContact CB-CD1 4.47Å; V164-I178 HydrophobicContact CG1-CD1 3.92Å; V164-I178 HydrophobicContact CG1-CG1 4.06Å; V164-I178 HydrophobicContact CG2-CD1 3.74Å; V164-I178 HydrophobicContact CG2-CG1 4.41Å; V164-V196 HydrophobicContact CG2-CG1 4.15Å; V164-L212 HydrophobicContact CB-CD2 4.48Å; V164-L212 HydrophobicContact CG2-CD2 4.18Å; V164-L213 CarbonylContact C-O 3.49Å; V164-L213 VanDerWaalsContact CA-O 3.31Å; V164-L213 WeakPolarHBondContact CA-O 3.26Å
165	W	96.9	Very high	87	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.5	157.1	-66.7	102.2	0	0	0	108.8	W173 W174 P175 L212 L213 L215 F218 A221 F222 Y233 I237	W165-W173 HydrophobicContact CB-CB 4.43Å; W165-W173 HydrophobicContact CB-CE3 3.86Å; W165-W173 HydrophobicContact CE3-CB 3.95Å; W165-W173 WeakPolarHBondContact CZ3-O 3.12Å; W165-W174 WeakPolarHBondContact CA-O 3.24Å; W165-P175 HydrophobicContact CE3-CB 4.42Å; W165-P175 HydrophobicContact CZ3-CB 4.43Å; W165-L212 CarbonylContact O-C 3.42Å; W165-L212 VanDerWaalsContact O-CA 3.32Å; W165-L212 WeakPolarHBondContact O-CA 3.31Å; W165-L213 HydrophobicContact CB-CB 4.28Å; W165-L213 PolarHBondContact N-O 2.96Å; W165-L213 PolarHBondContact O-N 3.37Å; W165-L215 HydrophobicContact CZ2-CD1 4.45Å; W165-L215 PolarHBondContact NE1-O 3.17Å; W165-L215 VanDerWaalsContact NE1-O 3.13Å; W165-F218 HydrophobicContact CH2-CD2 4.28Å; W165-F218 HydrophobicContact CH2-CE2 4.16Å; W165-F218 HydrophobicContact CZ2-CB 4.33Å; W165-F218 AromaticContact CZ2-CD2 3.41Å; W165-F218 HydrophobicContact CZ2-CD2 3.41Å; W165-F218 VanDerWaalsContact CZ2-CD2 3.41Å; W165-F218 AromaticContact CZ2-CE2 3.74Å; W165-F218 HydrophobicContact CZ2-CE2 3.74Å; W165-F218 AromaticContact CZ2-CG 3.87Å; W165-F218 HydrophobicContact CZ2-CG 3.87Å; W165-F218 HydrophobicContact CZ2-CZ 4.46Å; W165-A221 HydrophobicContact CB-CB 4.05Å; W165-A221 HydrophobicContact CD2-CB 3.43Å; W165-A221 VanDerWaalsContact CD2-CB 3.43Å; W165-A221 HydrophobicContact CE3-CB 3.97Å; W165-A221 HydrophobicContact CG-CB 3.48Å; W165-A221 VanDerWaalsContact CG-CB 3.48Å; W165-A221 HydrophobicContact CZ2-CB 4.11Å; W165-F222 HydrophobicContact CH2-CB 3.94Å; W165-F222 HydrophobicContact CH2-CD2 4.31Å; W165-F222 HydrophobicContact CZ2-CB 4.09Å; W165-Y233 WeakPolarHBondContact CZ3-OH 3.22Å; W165-I237 HydrophobicContact CH2-CD1 3.47Å; W165-I237 VanDerWaalsContact CH2-CD1 3.47Å; W165-I237 HydrophobicContact CZ2-CD1 4.47Å; W165-I237 HydrophobicContact CZ3-CD1 3.9Å
166	G	93.7	Very high	88.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.5	174.4	0	0	0	0	0	113.1	W174 K211	G166-W174 PolarHBondContact N-O 2.98Å; G166-W174 PolarHBondContact O-N 3.16Å; G166-K211 CarbonylContact C-O 3.57Å; G166-K211 WeakPolarHBondContact CA-O 3.29Å
167	K	90.3	Very high	89	Confident	84 Å²	84	41.9 Å²	41.9	37%	0.365	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	89.6	-178.9	-170.5	56	171.4	176.4	0	112.7	F171 W173 K211	K167-F171 PolarHBondContact NZ-O 2.77Å; K167-W173 HydrophobicContact CB-CD2 4.03Å; K167-W173 HydrophobicContact CB-CE3 3.73Å; K167-W173 HydrophobicContact CB-CH2 3.79Å; K167-W173 HydrophobicContact CB-CZ2 4.08Å; K167-W173 HydrophobicContact CB-CZ3 3.62Å; K167-W173 HydrophobicContact CD-CD2 4.12Å; K167-W173 HydrophobicContact CD-CG 4.3Å; K167-W173 HydrophobicContact CG-CD2 4.49Å; K167-W173 HydrophobicContact CG-CZ2 4.37Å; K167-K211 HydrophobicContact CB-CB 4.34Å; K167-K211 PolarHBondContact N-O 3.4Å
168	L	77.3	Confident	89.7	Confident	50 Å²	50	39.9 Å²	39.9	26%	0.262	20%	0.203	S	C	.	.			trans	-78.7	146.1	171	-66.9	-179.3	0	0	0	112.3	G170 F171 W198	L168-G170 PolarHBondContact O-N 3.25Å; L168-F171 HydrophobicContact CB-CB 4.22Å; L168-F171 HydrophobicContact CB-CD2 3.88Å; L168-F171 HydrophobicContact CB-CG 4.34Å; L168-F171 PolarHBondContact O-N 2.99Å; L168-F171 VanDerWaalsContact O-N 3.17Å; L168-W198 HydrophobicContact CD1-CH2 4.32Å; L168-W198 HydrophobicContact CD1-CZ2 3.69Å; L168-W198 HydrophobicContact CD2-CH2 4.37Å; L168-W198 HydrophobicContact CD2-CZ2 3.81Å; L168-W198 HydrophobicContact CG-CH2 4.03Å; L168-W198 HydrophobicContact CG-CZ2 3.71Å
169	R	71.1	Confident	89.8	Confident	206 Å²	206	38.6 Å²	38.6	78%	0.777	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	118.9	179.6	-171.7	-179.7	-172.7	-173	2.1	110.1
170	G	73.3	Confident	89.4	Confident	84 Å²	84	38.4 Å²	38.4	87%	0.866	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	91	-2.8	-178.8	0	0	0	0	0	115.4	L168	L168-G170 PolarHBondContact O-N 3.25Å
171	F	80.8	Confident	88.6	Confident	102 Å²	102	41 Å²	41	45%	0.447	20%	0.2	S	C	.	.	S	Bend	trans	-111.1	163.3	178.9	-66.4	-95.8	0	0	0	112	K167 L168 W174	K167-F171 PolarHBondContact NZ-O 2.77Å; L168-F171 HydrophobicContact CB-CB 4.22Å; L168-F171 HydrophobicContact CB-CD2 3.88Å; L168-F171 HydrophobicContact CB-CG 4.34Å; L168-F171 PolarHBondContact O-N 2.99Å; L168-F171 VanDerWaalsContact O-N 3.17Å; F171-W174 HydrophobicContact CD1-CE3 4.29Å; F171-W174 HydrophobicContact CD1-CZ3 4.31Å
172	S	90.3	Very high	87.7	Confident	22 Å²	22	44.7 Å²	44.7	15%	0.154	22%	0.224	C	C	.	.			trans	-61.5	170.3	159.3	-64.9	0	0	0	0	110.6	W174 H223 T226	S172-W174 PolarHBondContact O-N 3.37Å; S172-H223 PolarHBondContact OG-ND1 2.95Å; S172-T226 PolarHBondContact OG-OG1 3.04Å
173	W	94.6	Very high	86.3	Confident	62 Å²	62	46.5 Å²	46.5	24%	0.235	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	126.4	161.6	-71	101.2	0	0	0	108.5	W165 K167 K211 L213 A221 Y233	W165-W173 HydrophobicContact CB-CB 4.43Å; W165-W173 HydrophobicContact CB-CE3 3.86Å; W165-W173 HydrophobicContact CE3-CB 3.95Å; W165-W173 WeakPolarHBondContact CZ3-O 3.12Å; K167-W173 HydrophobicContact CB-CD2 4.03Å; K167-W173 HydrophobicContact CB-CE3 3.73Å; K167-W173 HydrophobicContact CB-CH2 3.79Å; K167-W173 HydrophobicContact CB-CZ2 4.08Å; K167-W173 HydrophobicContact CB-CZ3 3.62Å; K167-W173 HydrophobicContact CD-CD2 4.12Å; K167-W173 HydrophobicContact CD-CG 4.3Å; K167-W173 HydrophobicContact CG-CD2 4.49Å; K167-W173 HydrophobicContact CG-CZ2 4.37Å; W173-K211 WeakPolarHBondContact CZ3-O 3.47Å; W173-L213 HydrophobicContact CD2-CD1 4.39Å; W173-L213 HydrophobicContact CE3-CD1 4.28Å; W173-L213 HydrophobicContact CH2-CD1 3.57Å; W173-L213 HydrophobicContact CH2-CG 3.66Å; W173-L213 HydrophobicContact CZ2-CD1 3.67Å; W173-L213 HydrophobicContact CZ2-CG 4.28Å; W173-L213 HydrophobicContact CZ3-CB 4.33Å; W173-L213 HydrophobicContact CZ3-CD1 3.87Å; W173-L213 HydrophobicContact CZ3-CG 3.8Å; W173-A221 HydrophobicContact CB-CB 3.85Å; W173-A221 HydrophobicContact CG-CB 3.99Å; W173-Y233 VanDerWaalsContact O-CE2 3.28Å; W173-Y233 WeakPolarHBondContact O-CE2 3.32Å; W173-Y233 PolarHBondContact O-OH 3.07Å; W173-Y233 VanDerWaalsContact O-OH 3.09Å
174	W	96.1	Very high	84.8	Confident	20 Å²	20	46.7 Å²	46.7	8%	0.076	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.9	-174.5	-156.4	-78.7	0	0	0	110	W165 G166 F171 S172 W198 F199 M232 Y233 A236	W165-W174 WeakPolarHBondContact CA-O 3.24Å; G166-W174 PolarHBondContact N-O 2.98Å; G166-W174 PolarHBondContact O-N 3.16Å; F171-W174 HydrophobicContact CD1-CE3 4.29Å; F171-W174 HydrophobicContact CD1-CZ3 4.31Å; S172-W174 PolarHBondContact O-N 3.37Å; W174-W198 HydrophobicContact CB-CE3 4.15Å; W174-W198 HydrophobicContact CB-CZ3 4.24Å; W174-W198 AromaticContact CD1-CE3 3.99Å; W174-W198 HydrophobicContact CG-CE3 4.41Å; W174-F199 PolarHBondContact NE1-O 3.34Å; W174-M232 HydrophobicContact CH2-CB 4.42Å; W174-M232 HydrophobicContact CH2-CG 4.33Å; W174-M232 HydrophobicContact CZ2-CG 4.05Å; W174-Y233 AromaticContact CD2-CD2 3.96Å; W174-Y233 HydrophobicContact CD2-CD2 3.96Å; W174-Y233 HydrophobicContact CD2-CE2 4.39Å; W174-Y233 AromaticContact CE3-CD2 3.6Å; W174-Y233 HydrophobicContact CE3-CD2 3.6Å; W174-Y233 HydrophobicContact CE3-CE2 4.13Å; W174-Y233 AromaticContact CH2-CD2 3.94Å; W174-Y233 HydrophobicContact CH2-CD2 3.94Å; W174-Y233 HydrophobicContact CH2-CG 4.4Å; W174-Y233 HydrophobicContact CZ2-CD2 4.26Å; W174-Y233 AromaticContact CZ3-CD2 3.6Å; W174-Y233 HydrophobicContact CZ3-CD2 3.6Å; W174-Y233 HydrophobicContact CZ3-CG 4.39Å; W174-A236 HydrophobicContact CZ2-CB 4.01Å
175	P	96.4	Very high	83.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	141.7	179.4	31.3	-36.2	0	0	0	112.2	V164 W165 F199 A236 I237 V240	V164-P175 CarbonylContact O-C 3.6Å; V164-P175 WeakPolarHBondContact O-CA 3.38Å; W165-P175 HydrophobicContact CE3-CB 4.42Å; W165-P175 HydrophobicContact CZ3-CB 4.43Å; P175-F199 HydrophobicContact CB-CD2 4.28Å; P175-F199 HydrophobicContact CG-CB 4.36Å; P175-F199 PolarHBondContact O-N 2.79Å; P175-F199 VanDerWaalsContact O-N 3.09Å; P175-A236 HydrophobicContact CG-CB 3.85Å; P175-I237 HydrophobicContact CG-CD1 4.12Å; P175-V240 HydrophobicContact CB-CB 3.85Å; P175-V240 HydrophobicContact CB-CG1 3.63Å; P175-V240 HydrophobicContact CB-CG2 3.99Å; P175-V240 HydrophobicContact CG-CB 4.4Å; P175-V240 HydrophobicContact CG-CG1 4.01Å
176	G	96	Very high	81.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	179.5	176.1	0	0	0	0	0	112.7	V164 M197	V164-G176 PolarHBondContact N-O 3.35Å; V164-G176 PolarHBondContact O-N 2.86Å; G176-M197 CarbonylContact C-O 3.59Å; G176-M197 WeakPolarHBondContact CA-O 3.3Å
177	R	94.9	Very high	80.2	Confident	47 Å²	47	61.3 Å²	61.3	18%	0.177	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.3	176.4	-171	-164.4	-70.1	-142.3	2	109.5	E162 L163 V196 M197 F199 E296	E162-R177 CarbonylContact O-C 3.17Å; E162-R177 WeakPolarHBondContact O-CA 3.49Å; L163-R177 HydrophobicContact CD2-CB 4.22Å; L163-R177 HydrophobicContact CD2-CG 4.13Å; R177-V196 WeakPolarHBondContact O-CA 3.41Å; R177-M197 PolarHBondContact N-O 3.17Å; R177-M197 PolarHBondContact O-N 3.29Å; R177-F199 HydrophobicContact CB-CE2 4.17Å; R177-F199 HydrophobicContact CB-CZ 4.29Å; R177-E296 IonicContact CZ-OE1 3.41Å; R177-E296 IonicContact CZ-OE2 3.26Å; R177-E296 IonicContact NH1-OE1 2.88Å; R177-E296 PolarHBondContact NH1-OE1 3.05Å; R177-E296 IonicContact NH1-OE2 3.33Å; R177-E296 PolarHBondContact NH1-OE2 2.88Å; R177-E296 IonicContact NH2-OE1 2.69Å
178	I	93.4	Very high	79.3	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.1	170.6	-51.1	-55	0	0	0	109.7	Y152 F158 G159 G161 E162 V164 R194 W195 V196 L212	Y152-I178 HydrophobicContact CD2-CG2 3.84Å; Y152-I178 HydrophobicContact CE2-CG2 3.69Å; F158-I178 HydrophobicContact CB-CD1 4.28Å; F158-I178 HydrophobicContact CB-CG1 4.17Å; G159-I178 WeakPolarHBondContact O-CB 3.49Å; G159-I178 WeakPolarHBondContact O-CG2 3.46Å; G161-I178 PolarHBondContact N-O 3.39Å; E162-I178 HydrophobicContact CB-CG1 4.07Å; E162-I178 PolarHBondContact O-N 2.99Å; V164-I178 HydrophobicContact CB-CD1 4.47Å; V164-I178 HydrophobicContact CG1-CD1 3.92Å; V164-I178 HydrophobicContact CG1-CG1 4.06Å; V164-I178 HydrophobicContact CG2-CD1 3.74Å; V164-I178 HydrophobicContact CG2-CG1 4.41Å; I178-R194 HydrophobicContact CD1-CB 4.01Å; I178-R194 HydrophobicContact CD1-CG 4.32Å; I178-R194 HydrophobicContact CG2-CB 4.31Å; I178-W195 WeakPolarHBondContact CA-O 2.77Å; I178-V196 HydrophobicContact CD1-CG2 4.06Å; I178-L212 HydrophobicContact CD1-CD1 4.02Å
179	V	87.6	Confident	79.2	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.6	-177.7	-65.8	0	0	0	0	111.6	Y152 M183 T184 W195 M197 F204	Y152-V179 WeakPolarHBondContact CE2-O 3.26Å; Y152-V179 PolarHBondContact OH-O 2.99Å; V179-M183 HydrophobicContact CB-CB 4.47Å; V179-M183 HydrophobicContact CB-SD 3.76Å; V179-M183 HydrophobicContact CG1-CE 4.14Å; V179-M183 HydrophobicContact CG1-SD 3.88Å; V179-T184 HydrophobicContact CG2-CG2 4.15Å; V179-W195 HydrophobicContact CG2-CB 3.91Å; V179-W195 PolarHBondContact N-O 3.13Å; V179-W195 WeakPolarHBondContact O-CB 3.41Å; V179-M197 HydrophobicContact CG1-CB 3.91Å; V179-M197 HydrophobicContact CG1-CE 4.49Å; V179-M197 HydrophobicContact CG2-CB 4.34Å; V179-F204 HydrophobicContact CG2-CD1 3.93Å; V179-F204 HydrophobicContact CG2-CE1 4.03Å
180	S	82	Confident	79.3	Confident	18 Å²	18	54.5 Å²	54.5	13%	0.126	31%	0.309	C	S	.	.			trans	-66	146.6	171.4	174.9	0	0	0	0	111.5	E151 C182 M183	E151-S180 WeakPolarHBondContact OE1-CA 3.48Å; E151-S180 VanDerWaalsContact OE2-CA 3.29Å; E151-S180 WeakPolarHBondContact OE2-CA 3.38Å; E151-S180 WeakPolarHBondContact OE2-CB 3.17Å; E151-S180 PolarHBondContact OE2-OG 3.39Å; S180-C182 PolarHBondContact O-N 3.13Å; S180-C182 VanDerWaalsContact O-N 3.15Å; S180-C182 WeakPolarHBondContact OG-CB 3.34Å; S180-C182 PolarHBondContact OG-N 3.41Å; S180-C182 VanDerWaalsContact OG-N 3.14Å; S180-M183 PolarHBondContact O-N 2.96Å; S180-M183 VanDerWaalsContact O-N 3.08Å
181	W	73.1	Confident	79.3	Confident	94 Å²	94	58 Å²	58	36%	0.356	30%	0.302	S	S	.	.	H	α-helix	trans	-52.6	-31.9	168.3	65.2	-93.8	0	0	0	112.9	E151 M183 T184 G185 S187 R188	E151-W181 VanDerWaalsContact OE1-CD1 3.26Å; E151-W181 PolarHBondContact OE1-N 2.9Å; E151-W181 VanDerWaalsContact OE2-CD1 3.22Å; E151-W181 PolarHBondContact OE2-N 3.1Å; W181-M183 VanDerWaalsContact C-N 3.31Å; W181-M183 PolarHBondContact O-N 3.37Å; W181-T184 PolarHBondContact O-N 3.49Å; W181-T184 PolarHBondContact O-OG1 2.87Å; W181-G185 PolarHBondContact O-N 3.26Å; W181-S187 WeakPolarHBondContact CB-O 3.15Å; W181-R188 HydrophobicContact CD2-CB 4.45Å; W181-R188 HydrophobicContact CG-CB 4.08Å
182	C	67.9	Low	79.2	Confident	78 Å²	78	54 Å²	54	53%	0.527	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-43.5	176.3	-67.4	0	0	0	0	112.2	S180 T184 G185	S180-C182 PolarHBondContact O-N 3.13Å; S180-C182 VanDerWaalsContact O-N 3.15Å; S180-C182 WeakPolarHBondContact OG-CB 3.34Å; S180-C182 PolarHBondContact OG-N 3.41Å; S180-C182 VanDerWaalsContact OG-N 3.14Å; C182-T184 PolarHBondContact O-N 2.92Å; C182-G185 PolarHBondContact O-N 3.36Å
183	M	65.3	Low	79.1	Confident	99 Å²	99	53.9 Å²	53.9	49%	0.488	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-23.5	178.8	-62.6	178.6	71.3	0	0	113	V179 S180 W181 M197	V179-M183 HydrophobicContact CB-CB 4.47Å; V179-M183 HydrophobicContact CB-SD 3.76Å; V179-M183 HydrophobicContact CG1-CE 4.14Å; V179-M183 HydrophobicContact CG1-SD 3.88Å; S180-M183 PolarHBondContact O-N 2.96Å; S180-M183 VanDerWaalsContact O-N 3.08Å; W181-M183 VanDerWaalsContact C-N 3.31Å; W181-M183 PolarHBondContact O-N 3.37Å; M183-M197 HydrophobicContact CE-CE 4.3Å
184	T	63.2	Low	78.8	Confident	11 Å²	11	51 Å²	51	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-89.2	-17.6	-176.6	76.9	0	0	0	0	113.4	V179 W181 C182 R186 W195 F204	V179-T184 HydrophobicContact CG2-CG2 4.15Å; W181-T184 PolarHBondContact O-N 3.49Å; W181-T184 PolarHBondContact O-OG1 2.87Å; C182-T184 PolarHBondContact O-N 2.92Å; T184-R186 VanDerWaalsContact C-N 3.32Å; T184-R186 PolarHBondContact O-NH1 3.32Å; T184-R186 VanDerWaalsContact O-NH1 3.15Å; T184-R186 WeakPolarHBondContact OG1-CB 3.24Å; T184-R186 PolarHBondContact OG1-N 2.97Å; T184-W195 HydrophobicContact CG2-CB 4.11Å; T184-W195 HydrophobicContact CG2-CD2 3.73Å; T184-W195 HydrophobicContact CG2-CE3 3.88Å; T184-W195 HydrophobicContact CG2-CG 3.85Å; T184-F204 HydrophobicContact CG2-CB 4.21Å; T184-F204 HydrophobicContact CG2-CD1 3.59Å; T184-F204 HydrophobicContact CG2-CE1 4.04Å; T184-F204 HydrophobicContact CG2-CG 3.92Å
185	G	60.8	Low	78.5	Confident	57 Å²	57	51.4 Å²	51.4	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	40.9	-168.5	0	0	0	0	0	112.7	W181 C182	W181-G185 PolarHBondContact O-N 3.26Å; C182-G185 PolarHBondContact O-N 3.36Å
186	R	64.7	Low	78.3	Confident	158 Å²	158	51.4 Å²	51.4	60%	0.596	28%	0.279	S	S	*	.	S	Bend	trans	-132.1	-178.5	177.8	-57.9	-65.7	179.8	-78.7	-8.8	110	T184 W195	T184-R186 VanDerWaalsContact C-N 3.32Å; T184-R186 PolarHBondContact O-NH1 3.32Å; T184-R186 VanDerWaalsContact O-NH1 3.15Å; T184-R186 WeakPolarHBondContact OG1-CB 3.24Å; T184-R186 PolarHBondContact OG1-N 2.97Å; R186-W195 HydrophobicContact CB-CH2 3.94Å; R186-W195 HydrophobicContact CB-CZ2 3.45Å; R186-W195 VanDerWaalsContact CB-CZ2 3.45Å; R186-W195 HydrophobicContact CG-CH2 3.81Å; R186-W195 HydrophobicContact CG-CZ2 3.87Å
187	S	64.3	Low	78.2	Confident	92 Å²	92	54 Å²	54	64%	0.643	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-69.2	156.4	173.9	51.4	0	0	0	0	112.7	W181 W195	W181-S187 WeakPolarHBondContact CB-O 3.15Å; S187-W195 PolarHBondContact O-NE1 3.26Å
188	R	73.3	Confident	78.1	Confident	113 Å²	113	52.2 Å²	52.2	43%	0.426	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-47.3	137.7	166.1	-168.9	169.2	-179.2	137.7	1.5	110.1	E149 P150 W181	E149-R188 PolarHBondContact O-NH1 2.71Å; E149-R188 PolarHBondContact O-NH2 3.17Å; P150-R188 PolarHBondContact O-NH2 2.78Å; W181-R188 HydrophobicContact CD2-CB 4.45Å; W181-R188 HydrophobicContact CG-CB 4.08Å
189	A	73.6	Confident	78	Confident	16 Å²	16	53.2 Å²	53.2	13%	0.132	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.2	153.7	177.1	0	0	0	0	0	110.5	Y152	Y152-A189 HydrophobicContact CE1-CB 4.11Å
190	A	74.2	Confident	78.1	Confident	68 Å²	68	53.4 Å²	53.4	56%	0.562	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-71.3	158.6	176.1	0	0	0	0	0	111.4	G192 T193	A190-G192 PolarHBondContact O-N 3.45Å; A190-T193 PolarHBondContact N-OG1 3.14Å; A190-T193 VanDerWaalsContact N-OG1 3.13Å; A190-T193 PolarHBondContact O-N 3.09Å; A190-T193 PolarHBondContact O-OG1 2.86Å
191	E	73	Confident	78	Confident	157 Å²	157	55.2 Å²	55.2	73%	0.734	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	138.4	170.7	-92.7	-160.2	74.5	0	0	112.2	R156 T193	R156-E191 IonicContact CZ-OE1 2.75Å; R156-E191 VanDerWaalsContact CZ-OE1 3.26Å; R156-E191 IonicContact NH1-OE1 3.67Å; R156-E191 PolarHBondContact NH1-OE1 2.92Å; R156-E191 VanDerWaalsContact NH2-CG 3.33Å; R156-E191 IonicContact NH2-OE1 2.9Å; R156-E191 PolarHBondContact NH2-OE1 2.95Å; E191-T193 PolarHBondContact O-N 2.85Å
192	G	79.5	Confident	78.5	Confident	18 Å²	18	52.6 Å²	52.6	19%	0.186	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.8	-179.2	0	0	0	0	0	114.7	D154 A190 V209	D154-G192 PolarHBondContact OD2-N 2.8Å; A190-G192 PolarHBondContact O-N 3.45Å; G192-V209 WeakPolarHBondContact O-CG2 3.49Å; G192-V209 PolarHBondContact O-N 2.93Å
193	T	88	Confident	79.3	Confident	20 Å²	20	54.9 Å²	54.9	12%	0.123	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	160.8	172.2	73.6	0	0	0	0	111.7	A190 E191 V206 V207	A190-T193 PolarHBondContact N-OG1 3.14Å; A190-T193 VanDerWaalsContact N-OG1 3.13Å; A190-T193 PolarHBondContact O-N 3.09Å; A190-T193 PolarHBondContact O-OG1 2.86Å; E191-T193 PolarHBondContact O-N 2.85Å; T193-V206 HydrophobicContact CG2-CG1 4.14Å; T193-V206 WeakPolarHBondContact OG1-CG1 3.35Å; T193-V207 CarbonylContact C-O 3.59Å; T193-V207 VanDerWaalsContact CA-O 3.27Å; T193-V207 WeakPolarHBondContact CA-O 3.48Å
194	R	88.6	Confident	80.3	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.9	177.8	-57	-62.3	179.5	-110.5	7	110.4	D154 G157 F158 I178 V206 V207 V209 L212	D154-R194 IonicContact OD1-CZ 3.88Å; D154-R194 IonicContact OD1-NH1 2.84Å; D154-R194 IonicContact OD1-NH2 3.42Å; D154-R194 PolarHBondContact OD1-NH2 3.25Å; D154-R194 IonicContact OD2-CZ 3.7Å; D154-R194 IonicContact OD2-NH1 3.69Å; D154-R194 PolarHBondContact OD2-NH1 3.1Å; D154-R194 IonicContact OD2-NH2 3.97Å; G157-R194 PolarHBondContact O-NE 3.5Å; G157-R194 PolarHBondContact O-NH2 3.45Å; F158-R194 HydrophobicContact CB-CG 4.37Å; F158-R194 WeakPolarHBondContact O-CD 3.29Å; F158-R194 PolarHBondContact O-NE 3.23Å; I178-R194 HydrophobicContact CD1-CB 4.01Å; I178-R194 HydrophobicContact CD1-CG 4.32Å; I178-R194 HydrophobicContact CG2-CB 4.31Å; R194-V206 CarbonylContact O-C 3.5Å; R194-V206 WeakPolarHBondContact O-CA 3.45Å; R194-V207 PolarHBondContact N-O 3Å; R194-V207 PolarHBondContact O-N 3.26Å; R194-V209 HydrophobicContact CG-CG2 4.3Å; R194-L212 HydrophobicContact CB-CD1 4.2Å; R194-L212 HydrophobicContact CG-CD1 4Å
195	W	89.8	Confident	81.5	Confident	29 Å²	29	54.9 Å²	54.9	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.8	161.5	-80	109.5	0	0	0	110	Y152 I178 V179 T184 R186 S187 F204 S205 V206	Y152-W195 PolarHBondContact OH-N 3.25Å; I178-W195 WeakPolarHBondContact CA-O 2.77Å; V179-W195 HydrophobicContact CG2-CB 3.91Å; V179-W195 PolarHBondContact N-O 3.13Å; V179-W195 WeakPolarHBondContact O-CB 3.41Å; T184-W195 HydrophobicContact CG2-CB 4.11Å; T184-W195 HydrophobicContact CG2-CD2 3.73Å; T184-W195 HydrophobicContact CG2-CE3 3.88Å; T184-W195 HydrophobicContact CG2-CG 3.85Å; R186-W195 HydrophobicContact CB-CH2 3.94Å; R186-W195 HydrophobicContact CB-CZ2 3.45Å; R186-W195 VanDerWaalsContact CB-CZ2 3.45Å; R186-W195 HydrophobicContact CG-CH2 3.81Å; R186-W195 HydrophobicContact CG-CZ2 3.87Å; S187-W195 PolarHBondContact O-NE1 3.26Å; W195-F204 HydrophobicContact CE3-CB 4.04Å; W195-F204 HydrophobicContact CZ3-CB 4.04Å; W195-S205 VanDerWaalsContact CE3-C 3.49Å; W195-V206 HydrophobicContact CD2-CG2 3.68Å; W195-V206 HydrophobicContact CE3-CG2 3.78Å; W195-V206 HydrophobicContact CG-CG2 4.45Å; W195-V206 HydrophobicContact CH2-CG2 3.6Å; W195-V206 HydrophobicContact CZ2-CG2 3.48Å; W195-V206 VanDerWaalsContact CZ2-CG2 3.48Å; W195-V206 HydrophobicContact CZ3-CG2 3.75Å
196	V	92.3	Very high	82.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	176.3	-173.3	0	0	0	0	108.9	V164 R177 I178 W198 F204 S205 V207 L212	V164-V196 HydrophobicContact CG2-CG1 4.15Å; R177-V196 WeakPolarHBondContact O-CA 3.41Å; I178-V196 HydrophobicContact CD1-CG2 4.06Å; V196-W198 HydrophobicContact CB-CH2 4.33Å; V196-W198 HydrophobicContact CB-CZ2 4.2Å; V196-W198 HydrophobicContact CG1-CD2 4.14Å; V196-W198 HydrophobicContact CG1-CE3 3.9Å; V196-W198 HydrophobicContact CG1-CH2 3.96Å; V196-W198 HydrophobicContact CG1-CZ2 4.17Å; V196-W198 HydrophobicContact CG1-CZ3 3.82Å; V196-F204 CarbonylContact O-C 3.53Å; V196-F204 VanDerWaalsContact O-CA 3.3Å; V196-F204 WeakPolarHBondContact O-CA 3.4Å; V196-S205 PolarHBondContact N-O 3.19Å; V196-S205 PolarHBondContact O-N 2.7Å; V196-V207 HydrophobicContact CB-CG2 4.15Å; V196-V207 HydrophobicContact CG2-CB 3.93Å; V196-V207 HydrophobicContact CG2-CG2 3.63Å; V196-L212 HydrophobicContact CG2-CD2 4.02Å
197	M	92.5	Very high	83.9	Confident	53 Å²	53	48.3 Å²	48.3	26%	0.261	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.9	162.7	-179.1	-165.9	-78.8	0	0	108.5	G176 R177 V179 M183 K203 F204	G176-M197 CarbonylContact C-O 3.59Å; G176-M197 WeakPolarHBondContact CA-O 3.3Å; R177-M197 PolarHBondContact N-O 3.17Å; R177-M197 PolarHBondContact O-N 3.29Å; V179-M197 HydrophobicContact CG1-CB 3.91Å; V179-M197 HydrophobicContact CG1-CE 4.49Å; V179-M197 HydrophobicContact CG2-CB 4.34Å; M183-M197 HydrophobicContact CE-CE 4.3Å; M197-K203 CarbonylContact C-O 3.58Å; M197-K203 WeakPolarHBondContact CA-O 3.41Å; M197-F204 HydrophobicContact CB-CD1 3.99Å; M197-F204 HydrophobicContact CB-CE1 3.95Å; M197-F204 HydrophobicContact CE-CE1 3.52Å; M197-F204 HydrophobicContact CE-CZ 3.63Å; M197-F204 HydrophobicContact CG-CD1 4.39Å; M197-F204 HydrophobicContact CG-CE1 4.09Å
198	W	94.2	Very high	84.9	Confident	11 Å²	11	46 Å²	46	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.3	-180	-55	109.9	0	0	0	112	L168 W174 V196 G202 K203 S205 V207	L168-W198 HydrophobicContact CD1-CH2 4.32Å; L168-W198 HydrophobicContact CD1-CZ2 3.69Å; L168-W198 HydrophobicContact CD2-CH2 4.37Å; L168-W198 HydrophobicContact CD2-CZ2 3.81Å; L168-W198 HydrophobicContact CG-CH2 4.03Å; L168-W198 HydrophobicContact CG-CZ2 3.71Å; W174-W198 HydrophobicContact CB-CE3 4.15Å; W174-W198 HydrophobicContact CB-CZ3 4.24Å; W174-W198 AromaticContact CD1-CE3 3.99Å; W174-W198 HydrophobicContact CG-CE3 4.41Å; V196-W198 HydrophobicContact CB-CH2 4.33Å; V196-W198 HydrophobicContact CB-CZ2 4.2Å; V196-W198 HydrophobicContact CG1-CD2 4.14Å; V196-W198 HydrophobicContact CG1-CE3 3.9Å; V196-W198 HydrophobicContact CG1-CH2 3.96Å; V196-W198 HydrophobicContact CG1-CZ2 4.17Å; V196-W198 HydrophobicContact CG1-CZ3 3.82Å; W198-G202 VanDerWaalsContact O-CA 3.32Å; W198-G202 WeakPolarHBondContact O-CA 3.47Å; W198-G202 PolarHBondContact O-N 2.99Å; W198-K203 PolarHBondContact N-O 2.76Å; W198-S205 PolarHBondContact NE1-OG 3.37Å; W198-V207 HydrophobicContact CH2-CG2 3.93Å; W198-V207 HydrophobicContact CZ2-CG2 3.69Å
199	F	91	Very high	85.7	Confident	21 Å²	21	41.9 Å²	41.9	9%	0.092	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	154.2	169	-68.8	-79.3	0	0	0	110.6	L163 W174 P175 R177 D201 A236 E239 V240 V243	L163-F199 HydrophobicContact CD2-CE2 3.91Å; L163-F199 HydrophobicContact CD2-CZ 3.87Å; W174-F199 PolarHBondContact NE1-O 3.34Å; P175-F199 HydrophobicContact CB-CD2 4.28Å; P175-F199 HydrophobicContact CG-CB 4.36Å; P175-F199 PolarHBondContact O-N 2.79Å; P175-F199 VanDerWaalsContact O-N 3.09Å; R177-F199 HydrophobicContact CB-CE2 4.17Å; R177-F199 HydrophobicContact CB-CZ 4.29Å; F199-D201 PolarHBondContact O-N 2.89Å; F199-A236 VanDerWaalsContact C-CB 3.47Å; F199-A236 HydrophobicContact CB-CB 4.08Å; F199-A236 WeakPolarHBondContact CB-O 3.21Å; F199-A236 WeakPolarHBondContact O-CB 3.37Å; F199-E239 HydrophobicContact CB-CB 4.25Å; F199-E239 HydrophobicContact CD1-CB 3.67Å; F199-E239 HydrophobicContact CE1-CB 4.44Å; F199-E239 HydrophobicContact CG-CB 4.3Å; F199-V240 HydrophobicContact CD2-CB 3.62Å; F199-V240 HydrophobicContact CD2-CG2 3.71Å; F199-V240 HydrophobicContact CE2-CB 3.85Å; F199-V240 HydrophobicContact CE2-CG2 3.51Å; F199-V240 HydrophobicContact CG-CB 3.98Å; F199-V240 HydrophobicContact CZ-CB 4.36Å; F199-V240 HydrophobicContact CZ-CG2 4.17Å; F199-V243 HydrophobicContact CE1-CG2 3.99Å; F199-V243 HydrophobicContact CZ-CG2 4.21Å
200	G	89.9	Confident	86.4	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-44.8	-177.7	0	0	0	0	0	113.9	K235 E239	G200-K235 PolarHBondContact O-NZ 2.85Å; G200-E239 PolarHBondContact N-OE2 2.75Å
201	D	79.1	Confident	87.2	Confident	57 Å²	57	51 Å²	51	31%	0.305	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-3	-177.3	84.3	-6.1	0	0	0	116	F199 K203 M232	F199-D201 PolarHBondContact O-N 2.89Å; D201-K203 PolarHBondContact O-N 2.97Å; D201-K203 VanDerWaalsContact O-N 3.17Å; D201-K203 WeakPolarHBondContact OD1-CB 3.41Å; D201-K203 WeakPolarHBondContact OD1-CG 3.47Å; D201-K203 PolarHBondContact OD1-N 3.09Å; D201-K203 WeakPolarHBondContact OD2-CD 3.34Å; D201-K203 WeakPolarHBondContact OD2-CE 3.37Å; D201-K203 IonicContact OD2-NZ 2.65Å; D201-K203 PolarHBondContact OD2-NZ 2.78Å; D201-M232 HydrophobicContact CB-CE 4.26Å; D201-M232 HydrophobicContact CB-SD 4.04Å
202	G	82.6	Confident	88.2	Confident	39 Å²	39	43.8 Å²	43.8	40%	0.402	23%	0.234	S	C	.	.			trans	68.4	7.7	173.9	0	0	0	0	0	115.5	W198	W198-G202 VanDerWaalsContact O-CA 3.32Å; W198-G202 WeakPolarHBondContact O-CA 3.47Å; W198-G202 PolarHBondContact O-N 2.99Å
203	K	86.6	Confident	88.9	Confident	126 Å²	126	45.7 Å²	45.7	55%	0.548	24%	0.24	S	C	.	.			trans	-74.1	154	-176.9	-66.8	-172.4	-171	106	0	112	M197 W198 D201	M197-K203 CarbonylContact C-O 3.58Å; M197-K203 WeakPolarHBondContact CA-O 3.41Å; W198-K203 PolarHBondContact N-O 2.76Å; D201-K203 PolarHBondContact O-N 2.97Å; D201-K203 VanDerWaalsContact O-N 3.17Å; D201-K203 WeakPolarHBondContact OD1-CB 3.41Å; D201-K203 WeakPolarHBondContact OD1-CG 3.47Å; D201-K203 PolarHBondContact OD1-N 3.09Å; D201-K203 WeakPolarHBondContact OD2-CD 3.34Å; D201-K203 WeakPolarHBondContact OD2-CE 3.37Å; D201-K203 IonicContact OD2-NZ 2.65Å; D201-K203 PolarHBondContact OD2-NZ 2.78Å
204	F	86.3	Confident	89.3	Confident	75 Å²	75	47 Å²	47	33%	0.329	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.8	176.4	-57.4	-82.5	0	0	0	111.8	V179 T184 W195 V196 M197	V179-F204 HydrophobicContact CG2-CD1 3.93Å; V179-F204 HydrophobicContact CG2-CE1 4.03Å; T184-F204 HydrophobicContact CG2-CB 4.21Å; T184-F204 HydrophobicContact CG2-CD1 3.59Å; T184-F204 HydrophobicContact CG2-CE1 4.04Å; T184-F204 HydrophobicContact CG2-CG 3.92Å; W195-F204 HydrophobicContact CE3-CB 4.04Å; W195-F204 HydrophobicContact CZ3-CB 4.04Å; V196-F204 CarbonylContact O-C 3.53Å; V196-F204 VanDerWaalsContact O-CA 3.3Å; V196-F204 WeakPolarHBondContact O-CA 3.4Å; M197-F204 HydrophobicContact CB-CD1 3.99Å; M197-F204 HydrophobicContact CB-CE1 3.95Å; M197-F204 HydrophobicContact CE-CE1 3.52Å; M197-F204 HydrophobicContact CE-CZ 3.63Å; M197-F204 HydrophobicContact CG-CD1 4.39Å; M197-F204 HydrophobicContact CG-CE1 4.09Å
205	S	88	Confident	89.6	Confident	34 Å²	34	47 Å²	47	24%	0.238	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.3	170.8	-61.4	0	0	0	0	111.6	W195 V196 W198	W195-S205 VanDerWaalsContact CE3-C 3.49Å; V196-S205 PolarHBondContact N-O 3.19Å; V196-S205 PolarHBondContact O-N 2.7Å; W198-S205 PolarHBondContact NE1-OG 3.37Å
206	V	88	Confident	89.7	Confident	71 Å²	71	47.4 Å²	47.4	43%	0.43	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.9	166.4	-179.1	0	0	0	0	108.5	T193 R194 W195	T193-V206 HydrophobicContact CG2-CG1 4.14Å; T193-V206 WeakPolarHBondContact OG1-CG1 3.35Å; R194-V206 CarbonylContact O-C 3.5Å; R194-V206 WeakPolarHBondContact O-CA 3.45Å; W195-V206 HydrophobicContact CD2-CG2 3.68Å; W195-V206 HydrophobicContact CE3-CG2 3.78Å; W195-V206 HydrophobicContact CG-CG2 4.45Å; W195-V206 HydrophobicContact CH2-CG2 3.6Å; W195-V206 HydrophobicContact CZ2-CG2 3.48Å; W195-V206 VanDerWaalsContact CZ2-CG2 3.48Å; W195-V206 HydrophobicContact CZ3-CG2 3.75Å
207	V	86.7	Confident	89.7	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.6	-178.2	-170.7	0	0	0	0	109.7	T193 R194 V196 W198 K211 L212	T193-V207 CarbonylContact C-O 3.59Å; T193-V207 VanDerWaalsContact CA-O 3.27Å; T193-V207 WeakPolarHBondContact CA-O 3.48Å; R194-V207 PolarHBondContact N-O 3Å; R194-V207 PolarHBondContact O-N 3.26Å; V196-V207 HydrophobicContact CB-CG2 4.15Å; V196-V207 HydrophobicContact CG2-CB 3.93Å; V196-V207 HydrophobicContact CG2-CG2 3.63Å; W198-V207 HydrophobicContact CH2-CG2 3.93Å; W198-V207 HydrophobicContact CZ2-CG2 3.69Å; V207-K211 HydrophobicContact CG1-CB 3.89Å; V207-L212 HydrophobicContact CB-CD2 4.04Å; V207-L212 HydrophobicContact CG1-CD2 3.64Å; V207-L212 HydrophobicContact CG1-CG 4.1Å
208	C	87	Confident	89.8	Confident	43 Å²	43	46.1 Å²	46.1	29%	0.291	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.4	172.7	-43.5	0	0	0	0	110.1	E210 K211	C208-E210 PolarHBondContact O-N 3.04Å; C208-K211 HydrophobicContact CB-CD 4.24Å; C208-K211 PolarHBondContact O-N 2.91Å; C208-K211 PolarHBondContact SG-NZ 3.35Å
209	V	88.8	Confident	89.5	Confident	27 Å²	27	50.5 Å²	50.5	16%	0.164	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.1	-39.6	177.7	163.7	0	0	0	0	112.4	R156 F158 G192 R194 K211 L212	R156-V209 HydrophobicContact CB-CG2 4.47Å; R156-V209 WeakPolarHBondContact O-CG1 3.45Å; F158-V209 HydrophobicContact CD2-CG1 4.13Å; F158-V209 HydrophobicContact CE2-CG1 4.21Å; G192-V209 WeakPolarHBondContact O-CG2 3.49Å; G192-V209 PolarHBondContact O-N 2.93Å; R194-V209 HydrophobicContact CG-CG2 4.3Å; V209-K211 PolarHBondContact O-N 3.1Å; V209-L212 WeakPolarHBondContact O-CB 3.32Å; V209-L212 PolarHBondContact O-N 3.01Å
210	E	88.2	Confident	89.4	Confident	178 Å²	178	55.8 Å²	55.8	83%	0.832	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-58.2	-17.7	175.9	-57.8	173.7	165.9	0	0	114.9	C208	C208-E210 PolarHBondContact O-N 3.04Å
211	K	91.6	Very high	89.5	Confident	96 Å²	96	55.7 Å²	55.7	42%	0.417	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-107	14.6	-179.4	-64.7	166	-170.3	147.8	0	111.6	G166 K167 W173 V207 C208 V209	G166-K211 CarbonylContact C-O 3.57Å; G166-K211 WeakPolarHBondContact CA-O 3.29Å; K167-K211 HydrophobicContact CB-CB 4.34Å; K167-K211 PolarHBondContact N-O 3.4Å; W173-K211 WeakPolarHBondContact CZ3-O 3.47Å; V207-K211 HydrophobicContact CG1-CB 3.89Å; C208-K211 HydrophobicContact CB-CD 4.24Å; C208-K211 PolarHBondContact O-N 2.91Å; C208-K211 PolarHBondContact SG-NZ 3.35Å; V209-K211 PolarHBondContact O-N 3.1Å
212	L	94	Very high	90.2	Very high	7 Å²	7	54 Å²	54	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.5	174.4	-59.2	178.9	0	0	0	110.7	F158 V164 W165 I178 R194 V196 V207 V209	F158-L212 HydrophobicContact CB-CD1 4.37Å; F158-L212 HydrophobicContact CD2-CB 3.97Å; F158-L212 HydrophobicContact CD2-CD1 3.95Å; F158-L212 HydrophobicContact CE1-CB 4.47Å; F158-L212 HydrophobicContact CE2-CB 3.62Å; F158-L212 HydrophobicContact CE2-CD1 4.47Å; F158-L212 HydrophobicContact CG-CD1 4.17Å; F158-L212 HydrophobicContact CZ-CB 3.89Å; V164-L212 HydrophobicContact CB-CD2 4.48Å; V164-L212 HydrophobicContact CG2-CD2 4.18Å; W165-L212 CarbonylContact O-C 3.42Å; W165-L212 VanDerWaalsContact O-CA 3.32Å; W165-L212 WeakPolarHBondContact O-CA 3.31Å; I178-L212 HydrophobicContact CD1-CD1 4.02Å; R194-L212 HydrophobicContact CB-CD1 4.2Å; R194-L212 HydrophobicContact CG-CD1 4Å; V196-L212 HydrophobicContact CG2-CD2 4.02Å; V207-L212 HydrophobicContact CB-CD2 4.04Å; V207-L212 HydrophobicContact CG1-CD2 3.64Å; V207-L212 HydrophobicContact CG1-CG 4.1Å; V209-L212 WeakPolarHBondContact O-CB 3.32Å; V209-L212 PolarHBondContact O-N 3.01Å
213	L	94.8	Very high	90.7	Very high	58 Å²	58	56.1 Å²	56.1	30%	0.304	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148	165.6	-66.1	171.6	0	0	0	107.9	V164 W165 W173	V164-L213 CarbonylContact C-O 3.49Å; V164-L213 VanDerWaalsContact CA-O 3.31Å; V164-L213 WeakPolarHBondContact CA-O 3.26Å; W165-L213 HydrophobicContact CB-CB 4.28Å; W165-L213 PolarHBondContact N-O 2.96Å; W165-L213 PolarHBondContact O-N 3.37Å; W173-L213 HydrophobicContact CD2-CD1 4.39Å; W173-L213 HydrophobicContact CE3-CD1 4.28Å; W173-L213 HydrophobicContact CH2-CD1 3.57Å; W173-L213 HydrophobicContact CH2-CG 3.66Å; W173-L213 HydrophobicContact CZ2-CD1 3.67Å; W173-L213 HydrophobicContact CZ2-CG 4.28Å; W173-L213 HydrophobicContact CZ3-CB 4.33Å; W173-L213 HydrophobicContact CZ3-CD1 3.87Å; W173-L213 HydrophobicContact CZ3-CG 3.8Å
214	P	94.9	Very high	90.8	Very high	47 Å²	47	54.2 Å²	54.2	31%	0.305	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	147.6	174.9	29	-35	0	0	0	110.3	F158 S216 S217	F158-P214 HydrophobicContact CE1-CB 4.2Å; P214-S216 WeakPolarHBondContact CB-OG 3.26Å; P214-S216 WeakPolarHBondContact CG-OG 3.5Å; P214-S216 PolarHBondContact O-N 2.92Å; P214-S217 VanDerWaalsContact O-CB 3.31Å; P214-S217 WeakPolarHBondContact O-CB 3.38Å; P214-S217 PolarHBondContact O-N 3.4Å; P214-S217 PolarHBondContact O-OG 3.3Å
215	L	95.7	Very high	91	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.3	-32.2	-177.8	-177	71.6	0	0	0	112.7	L163 W165 S217 F218 V240 A244 F282 L290	L163-L215 HydrophobicContact CB-CB 3.75Å; L163-L215 HydrophobicContact CB-CD2 3.79Å; L163-L215 HydrophobicContact CB-CG 4.32Å; L163-L215 HydrophobicContact CD1-CD2 3.7Å; L163-L215 HydrophobicContact CG-CD2 4.38Å; L163-L215 WeakPolarHBondContact O-CB 3.24Å; L163-L215 PolarHBondContact O-N 3.02Å; W165-L215 HydrophobicContact CZ2-CD1 4.45Å; W165-L215 PolarHBondContact NE1-O 3.17Å; W165-L215 VanDerWaalsContact NE1-O 3.13Å; L215-S217 PolarHBondContact O-N 3.5Å; L215-F218 HydrophobicContact CD1-CD2 4.44Å; L215-F218 WeakPolarHBondContact O-CB 3.5Å; L215-F218 PolarHBondContact O-N 3.21Å; L215-V240 HydrophobicContact CD1-CG1 4.25Å; L215-V240 HydrophobicContact CD1-CG2 3.75Å; L215-V240 HydrophobicContact CD2-CG2 3.74Å; L215-V240 HydrophobicContact CG-CG2 4.4Å; L215-A244 HydrophobicContact CD2-CB 4.03Å; L215-F282 HydrophobicContact CD2-CE1 4.39Å; L215-F282 HydrophobicContact CD2-CZ 4.18Å; L215-F282 HydrophobicContact CG-CZ 3.99Å; L215-L290 HydrophobicContact CB-CD1 4.23Å; L215-L290 HydrophobicContact CD2-CD1 4.31Å; L215-L290 HydrophobicContact CD2-CD2 4.44Å; L215-L290 HydrophobicContact CG-CD1 4.44Å
216	S	91.7	Very high	91	Very high	38 Å²	38	52.8 Å²	52.8	27%	0.266	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-50.6	-23.2	172.6	54	0	0	0	0	114.6	P214 F218	P214-S216 WeakPolarHBondContact CB-OG 3.26Å; P214-S216 WeakPolarHBondContact CG-OG 3.5Å; P214-S216 PolarHBondContact O-N 2.92Å; S216-F218 PolarHBondContact O-N 3.05Å
217	S	92.9	Very high	91	Very high	26 Å²	26	50.7 Å²	50.7	18%	0.182	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-74.3	21.8	171.8	-53.6	0	0	0	0	113.7	P214 L215 N219 N220 A221	P214-S217 VanDerWaalsContact O-CB 3.31Å; P214-S217 WeakPolarHBondContact O-CB 3.38Å; P214-S217 PolarHBondContact O-N 3.4Å; P214-S217 PolarHBondContact O-OG 3.3Å; L215-S217 PolarHBondContact O-N 3.5Å; S217-N219 VanDerWaalsContact C-N 3.34Å; S217-N219 PolarHBondContact O-N 3.43Å; S217-N220 WeakPolarHBondContact O-CB 3.47Å; S217-N220 PolarHBondContact O-N 3.39Å; S217-A221 PolarHBondContact O-N 3.02Å; S217-A221 VanDerWaalsContact O-N 3.16Å
218	F	93.4	Very high	90.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-51.9	-47.1	-170.4	-166.2	-80.6	0	0	0	112.9	W165 L215 S216 N220 A221 F222 I237 L241 I275 A278 M279 F282	W165-F218 HydrophobicContact CH2-CD2 4.28Å; W165-F218 HydrophobicContact CH2-CE2 4.16Å; W165-F218 HydrophobicContact CZ2-CB 4.33Å; W165-F218 AromaticContact CZ2-CD2 3.41Å; W165-F218 HydrophobicContact CZ2-CD2 3.41Å; W165-F218 VanDerWaalsContact CZ2-CD2 3.41Å; W165-F218 AromaticContact CZ2-CE2 3.74Å; W165-F218 HydrophobicContact CZ2-CE2 3.74Å; W165-F218 AromaticContact CZ2-CG 3.87Å; W165-F218 HydrophobicContact CZ2-CG 3.87Å; W165-F218 HydrophobicContact CZ2-CZ 4.46Å; L215-F218 HydrophobicContact CD1-CD2 4.44Å; L215-F218 WeakPolarHBondContact O-CB 3.5Å; L215-F218 PolarHBondContact O-N 3.21Å; S216-F218 PolarHBondContact O-N 3.05Å; F218-N220 PolarHBondContact O-N 2.95Å; F218-A221 PolarHBondContact O-N 3.03Å; F218-F222 HydrophobicContact CD1-CB 3.73Å; F218-F222 HydrophobicContact CD1-CG 4.21Å; F218-F222 HydrophobicContact CE1-CB 3.5Å; F218-F222 VanDerWaalsContact CE1-CB 3.5Å; F218-F222 AromaticContact CE1-CD1 3.91Å; F218-F222 HydrophobicContact CE1-CD1 3.91Å; F218-F222 AromaticContact CE1-CD2 3.83Å; F218-F222 HydrophobicContact CE1-CD2 3.83Å; F218-F222 AromaticContact CE1-CG 3.46Å; F218-F222 HydrophobicContact CE1-CG 3.46Å; F218-F222 VanDerWaalsContact CE1-CG 3.46Å; F218-F222 HydrophobicContact CG-CB 4.39Å; F218-F222 HydrophobicContact CZ-CB 3.98Å; F218-F222 AromaticContact CZ-CD2 3.64Å; F218-F222 HydrophobicContact CZ-CD2 3.64Å; F218-F222 HydrophobicContact CZ-CE2 4.25Å; F218-F222 AromaticContact CZ-CG 3.8Å; F218-F222 HydrophobicContact CZ-CG 3.8Å; F218-F222 WeakPolarHBondContact O-CB 3.43Å; F218-F222 PolarHBondContact O-N 3.41Å; F218-I237 HydrophobicContact CE2-CD1 4.33Å; F218-I237 HydrophobicContact CZ-CD1 4.48Å; F218-I237 HydrophobicContact CZ-CG2 4.3Å; F218-L241 HydrophobicContact CD2-CD2 4.23Å; F218-L241 HydrophobicContact CE2-CD1 4.06Å; F218-L241 HydrophobicContact CE2-CD2 3.78Å; F218-L241 HydrophobicContact CE2-CG 4.17Å; F218-L241 HydrophobicContact CZ-CD1 4.07Å; F218-L241 HydrophobicContact CZ-CD2 4.48Å; F218-I275 HydrophobicContact CE1-CG2 4.22Å; F218-I275 HydrophobicContact CZ-CG1 4.36Å; F218-A278 HydrophobicContact CB-CB 4.3Å; F218-A278 HydrophobicContact CD1-CB 3.63Å; F218-A278 HydrophobicContact CD2-CB 3.63Å; F218-A278 HydrophobicContact CE1-CB 3.77Å; F218-A278 HydrophobicContact CE2-CB 3.79Å; F218-A278 HydrophobicContact CG-CB 3.58Å; F218-A278 HydrophobicContact CZ-CB 3.85Å; F218-M279 HydrophobicContact CD1-CG 3.98Å; F218-M279 HydrophobicContact CD1-SD 3.65Å; F218-M279 HydrophobicContact CE1-CG 3.96Å; F218-M279 HydrophobicContact CE1-SD 3.84Å; F218-F282 HydrophobicContact CB-CE2 3.79Å; F218-F282 HydrophobicContact CB-CZ 3.94Å; F218-F282 AromaticContact CD2-CZ 3.89Å; F218-F282 HydrophobicContact CD2-CZ 3.89Å; F218-F282 HydrophobicContact CG-CE2 4.49Å; F218-F282 HydrophobicContact CG-CZ 4.17Å
219	N	88.5	Confident	90.8	Very high	102 Å²	102	61.6 Å²	61.6	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-26	178.9	-164.7	17.6	0	0	0	113.8	S217 M279	S217-N219 VanDerWaalsContact C-N 3.34Å; S217-N219 PolarHBondContact O-N 3.43Å; N219-M279 HydrophobicContact CB-SD 4.37Å; N219-M279 WeakPolarHBondContact OD1-CE 3.27Å
220	N	88.1	Confident	90.4	Very high	133 Å²	133	64.3 Å²	64.3	71%	0.711	33%	0.326	S	S	*	.	H	α-helix	trans	-90.8	-26	179.1	-63.6	-14.5	0	0	0	113.1	S217 F218	S217-N220 WeakPolarHBondContact O-CB 3.47Å; S217-N220 PolarHBondContact O-N 3.39Å; F218-N220 PolarHBondContact O-N 2.95Å
221	A	92.1	Very high	90.3	Very high	4 Å²	4	61 Å²	61	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-107.3	-29.1	-170.5	0	0	0	0	0	113.8	W165 W173 S217 F218 H223	W165-A221 HydrophobicContact CB-CB 4.05Å; W165-A221 HydrophobicContact CD2-CB 3.43Å; W165-A221 VanDerWaalsContact CD2-CB 3.43Å; W165-A221 HydrophobicContact CE3-CB 3.97Å; W165-A221 HydrophobicContact CG-CB 3.48Å; W165-A221 VanDerWaalsContact CG-CB 3.48Å; W165-A221 HydrophobicContact CZ2-CB 4.11Å; W173-A221 HydrophobicContact CB-CB 3.85Å; W173-A221 HydrophobicContact CG-CB 3.99Å; S217-A221 PolarHBondContact O-N 3.02Å; S217-A221 VanDerWaalsContact O-N 3.16Å; F218-A221 PolarHBondContact O-N 3.03Å; A221-H223 PolarHBondContact O-N 2.79Å
222	F	94.1	Very high	90.1	Very high	20 Å²	20	61 Å²	61	9%	0.088	32%	0.323	C	S	.	.			trans	-65	115.3	-178	173.5	-110.6	0	0	0	112.1	W165 F218 Q224 Y227 Y233 I237 I275 M279	W165-F222 HydrophobicContact CH2-CB 3.94Å; W165-F222 HydrophobicContact CH2-CD2 4.31Å; W165-F222 HydrophobicContact CZ2-CB 4.09Å; F218-F222 HydrophobicContact CD1-CB 3.73Å; F218-F222 HydrophobicContact CD1-CG 4.21Å; F218-F222 HydrophobicContact CE1-CB 3.5Å; F218-F222 VanDerWaalsContact CE1-CB 3.5Å; F218-F222 AromaticContact CE1-CD1 3.91Å; F218-F222 HydrophobicContact CE1-CD1 3.91Å; F218-F222 AromaticContact CE1-CD2 3.83Å; F218-F222 HydrophobicContact CE1-CD2 3.83Å; F218-F222 AromaticContact CE1-CG 3.46Å; F218-F222 HydrophobicContact CE1-CG 3.46Å; F218-F222 VanDerWaalsContact CE1-CG 3.46Å; F218-F222 HydrophobicContact CG-CB 4.39Å; F218-F222 HydrophobicContact CZ-CB 3.98Å; F218-F222 AromaticContact CZ-CD2 3.64Å; F218-F222 HydrophobicContact CZ-CD2 3.64Å; F218-F222 HydrophobicContact CZ-CE2 4.25Å; F218-F222 AromaticContact CZ-CG 3.8Å; F218-F222 HydrophobicContact CZ-CG 3.8Å; F218-F222 WeakPolarHBondContact O-CB 3.43Å; F218-F222 PolarHBondContact O-N 3.41Å; F222-Q224 HydrophobicContact CE1-CB 4.09Å; F222-Q224 PolarHBondContact O-N 3.44Å; F222-Y227 AromaticContact CE2-CD2 3.85Å; F222-Y227 HydrophobicContact CE2-CD2 3.85Å; F222-Y227 AromaticContact CE2-CG 3.89Å; F222-Y227 HydrophobicContact CE2-CG 3.89Å; F222-Y227 HydrophobicContact CZ-CD1 4.2Å; F222-Y227 HydrophobicContact CZ-CD2 4.13Å; F222-Y227 AromaticContact CZ-CG 3.78Å; F222-Y227 HydrophobicContact CZ-CG 3.78Å; F222-Y233 HydrophobicContact CD2-CE1 4.18Å; F222-Y233 HydrophobicContact CE2-CE1 4.15Å; F222-I237 HydrophobicContact CD2-CD1 3.83Å; F222-I237 HydrophobicContact CD2-CG1 4.25Å; F222-I237 HydrophobicContact CE2-CD1 4.18Å; F222-I237 HydrophobicContact CE2-CG1 4.11Å; F222-I237 HydrophobicContact CE2-CG2 4.15Å; F222-I275 HydrophobicContact CE1-CG2 3.94Å; F222-I275 HydrophobicContact CE2-CD1 4.3Å; F222-I275 HydrophobicContact CZ-CD1 4Å; F222-I275 HydrophobicContact CZ-CG2 4.07Å; F222-M279 HydrophobicContact CB-SD 4.41Å; F222-M279 HydrophobicContact CD1-SD 3.94Å
223	H	92.5	Very high	90	Very high	84 Å²	84	60.7 Å²	60.7	39%	0.389	32%	0.321	S	S	.	.			trans	-99.7	85.9	-176	-162.3	-111.4	0	0	0	111.5	S172 A221 P225 T226 Y227 Y233	S172-H223 PolarHBondContact OG-ND1 2.95Å; A221-H223 PolarHBondContact O-N 2.79Å; H223-P225 VanDerWaalsContact C-N 3.27Å; H223-P225 VanDerWaalsContact O-N 3.12Å; H223-T226 PolarHBondContact ND1-N 3.47Å; H223-T226 PolarHBondContact ND1-OG1 3.06Å; H223-T226 WeakPolarHBondContact O-CA 3.5Å; H223-T226 WeakPolarHBondContact O-CB 3.24Å; H223-T226 PolarHBondContact O-N 2.94Å; H223-Y227 PolarHBondContact O-N 3.06Å; H223-Y227 VanDerWaalsContact O-N 3.08Å; H223-Y233 PolarHBondContact N-OH 2.9Å; H223-Y233 VanDerWaalsContact N-OH 3.1Å
224	Q	90.4	Very high	89.8	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	32%	0.318	S	S	.	.	H	α-helix	trans	-44.7	-40.7	176.6	-172.4	79.4	70.8	0	0	114.3	F222 T226 Y227 N228	F222-Q224 HydrophobicContact CE1-CB 4.09Å; F222-Q224 PolarHBondContact O-N 3.44Å; Q224-T226 VanDerWaalsContact C-N 3.26Å; Q224-T226 PolarHBondContact O-N 3.48Å; Q224-Y227 PolarHBondContact O-N 3.13Å; Q224-N228 PolarHBondContact NE2-OD1 3.38Å; Q224-N228 VanDerWaalsContact O-CG 3.3Å; Q224-N228 PolarHBondContact O-N 3.15Å; Q224-N228 PolarHBondContact O-OD1 3.24Å
225	P	89.7	Confident	89.5	Confident	64 Å²	64	63.2 Å²	63.2	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-66.5	-22.6	176.9	-20.7	33.6	0	0	0	114.6	H223 K229	H223-P225 VanDerWaalsContact C-N 3.27Å; H223-P225 VanDerWaalsContact O-N 3.12Å; P225-K229 WeakPolarHBondContact O-CB 3.33Å; P225-K229 VanDerWaalsContact O-CD 3.22Å; P225-K229 WeakPolarHBondContact O-CD 3.13Å; P225-K229 WeakPolarHBondContact O-CG 3.31Å
226	T	87.3	Confident	89.4	Confident	15 Å²	15	63.1 Å²	63.1	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-83.9	-44.2	173.2	-60.3	0	0	0	0	110.3	S172 H223 Q224 N228 K229 Q230 Y233	S172-T226 PolarHBondContact OG-OG1 3.04Å; H223-T226 PolarHBondContact ND1-N 3.47Å; H223-T226 PolarHBondContact ND1-OG1 3.06Å; H223-T226 WeakPolarHBondContact O-CA 3.5Å; H223-T226 WeakPolarHBondContact O-CB 3.24Å; H223-T226 PolarHBondContact O-N 2.94Å; Q224-T226 VanDerWaalsContact C-N 3.26Å; Q224-T226 PolarHBondContact O-N 3.48Å; T226-N228 VanDerWaalsContact C-N 3.26Å; T226-N228 PolarHBondContact O-N 2.84Å; T226-K229 PolarHBondContact O-N 3.24Å; T226-Q230 HydrophobicContact CG2-CB 4.1Å; T226-Q230 HydrophobicContact CG2-CG 4.01Å; T226-Q230 VanDerWaalsContact CG2-OE1 3.31Å; T226-Q230 PolarHBondContact O-N 3.06Å; T226-Y233 HydrophobicContact CG2-CD1 4.06Å; T226-Y233 HydrophobicContact CG2-CD2 3.73Å; T226-Y233 HydrophobicContact CG2-CE2 4.27Å; T226-Y233 HydrophobicContact CG2-CG 3.59Å
227	Y	89.1	Confident	89.6	Confident	26 Å²	26	61.3 Å²	61.3	10%	0.102	31%	0.312	C	S	.	.	H	α-helix	trans	-53.5	-42.4	174.2	-177.4	-95.2	0	0	0	112.7	F222 H223 Q224 K229 Y233 K234 I237 N271 I275	F222-Y227 AromaticContact CE2-CD2 3.85Å; F222-Y227 HydrophobicContact CE2-CD2 3.85Å; F222-Y227 AromaticContact CE2-CG 3.89Å; F222-Y227 HydrophobicContact CE2-CG 3.89Å; F222-Y227 HydrophobicContact CZ-CD1 4.2Å; F222-Y227 HydrophobicContact CZ-CD2 4.13Å; F222-Y227 AromaticContact CZ-CG 3.78Å; F222-Y227 HydrophobicContact CZ-CG 3.78Å; H223-Y227 PolarHBondContact O-N 3.06Å; H223-Y227 VanDerWaalsContact O-N 3.08Å; Q224-Y227 PolarHBondContact O-N 3.13Å; Y227-K229 VanDerWaalsContact C-N 3.26Å; Y227-K229 PolarHBondContact O-N 3.26Å; Y227-Y233 HydrophobicContact CD2-CD1 4.3Å; Y227-K234 HydrophobicContact CD2-CB 4.1Å; Y227-K234 HydrophobicContact CD2-CG 4.32Å; Y227-K234 HydrophobicContact CE2-CB 3.9Å; Y227-K234 HydrophobicContact CE2-CD 4.34Å; Y227-K234 HydrophobicContact CE2-CG 3.62Å; Y227-I237 HydrophobicContact CD2-CB 4.13Å; Y227-I237 HydrophobicContact CD2-CG1 4.21Å; Y227-I237 HydrophobicContact CD2-CG2 4.2Å; Y227-I237 HydrophobicContact CE2-CB 4.17Å; Y227-I237 HydrophobicContact CE2-CG2 4.02Å; Y227-N271 WeakPolarHBondContact OH-CB 3.39Å; Y227-I275 HydrophobicContact CD1-CD1 4.48Å; Y227-I275 HydrophobicContact CD2-CD1 4.2Å; Y227-I275 HydrophobicContact CE1-CD1 3.89Å; Y227-I275 HydrophobicContact CE2-CD1 3.56Å
228	N	84.8	Confident	89.5	Confident	113 Å²	113	63.6 Å²	63.6	60%	0.604	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	178	-65.1	8.5	0	0	0	114.5	Q224 T226	Q224-N228 PolarHBondContact NE2-OD1 3.38Å; Q224-N228 VanDerWaalsContact O-CG 3.3Å; Q224-N228 PolarHBondContact O-N 3.15Å; Q224-N228 PolarHBondContact O-OD1 3.24Å; T226-N228 VanDerWaalsContact C-N 3.26Å; T226-N228 PolarHBondContact O-N 2.84Å
229	K	84.2	Confident	89.5	Confident	167 Å²	167	65.8 Å²	65.8	73%	0.726	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	-22.2	-171.6	-68.4	-179.4	-170.1	171.2	0	115	P225 T226 Y227	P225-K229 WeakPolarHBondContact O-CB 3.33Å; P225-K229 VanDerWaalsContact O-CD 3.22Å; P225-K229 WeakPolarHBondContact O-CD 3.13Å; P225-K229 WeakPolarHBondContact O-CG 3.31Å; T226-K229 PolarHBondContact O-N 3.24Å; Y227-K229 VanDerWaalsContact C-N 3.26Å; Y227-K229 PolarHBondContact O-N 3.26Å
230	Q	80.1	Confident	89.8	Confident	83 Å²	83	60.9 Å²	60.9	39%	0.388	30%	0.301	S	S	.	.			trans	-121.2	106.6	-175.6	-67.4	-171.5	-3.7	0	0	110.3	T226 M232 Y233 K234	T226-Q230 HydrophobicContact CG2-CB 4.1Å; T226-Q230 HydrophobicContact CG2-CG 4.01Å; T226-Q230 VanDerWaalsContact CG2-OE1 3.31Å; T226-Q230 PolarHBondContact O-N 3.06Å; Q230-M232 PolarHBondContact O-N 2.96Å; Q230-Y233 PolarHBondContact O-N 2.76Å; Q230-K234 PolarHBondContact O-N 2.83Å
231	P	86.6	Confident	90.1	Very high	109 Å²	109	54.6 Å²	54.6	71%	0.708	27%	0.268	S	S	*	.	H	α-helix	trans	-55.4	-34.4	177.2	-27.6	35.7	0	0	0	113.4	K234 K235	P231-K234 PolarHBondContact O-N 3.33Å; P231-K235 WeakPolarHBondContact O-CB 3.41Å; P231-K235 PolarHBondContact O-N 2.84Å
232	M	87.4	Confident	90.1	Very high	96 Å²	96	58 Å²	58	47%	0.473	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-33.9	177	-168.6	174.2	-82.4	0	0	112.9	W174 D201 Q230 A236	W174-M232 HydrophobicContact CH2-CB 4.42Å; W174-M232 HydrophobicContact CH2-CG 4.33Å; W174-M232 HydrophobicContact CZ2-CG 4.05Å; D201-M232 HydrophobicContact CB-CE 4.26Å; D201-M232 HydrophobicContact CB-SD 4.04Å; Q230-M232 PolarHBondContact O-N 2.96Å; M232-A236 WeakPolarHBondContact O-CB 3.27Å; M232-A236 PolarHBondContact O-N 3.31Å
233	Y	91.4	Very high	90	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-39.4	172.1	-168.3	-94.7	0	0	0	111.1	W165 W173 W174 F222 H223 T226 Y227 Q230 K235 A236 I237	W165-Y233 WeakPolarHBondContact CZ3-OH 3.22Å; W173-Y233 VanDerWaalsContact O-CE2 3.28Å; W173-Y233 WeakPolarHBondContact O-CE2 3.32Å; W173-Y233 PolarHBondContact O-OH 3.07Å; W173-Y233 VanDerWaalsContact O-OH 3.09Å; W174-Y233 AromaticContact CD2-CD2 3.96Å; W174-Y233 HydrophobicContact CD2-CD2 3.96Å; W174-Y233 HydrophobicContact CD2-CE2 4.39Å; W174-Y233 AromaticContact CE3-CD2 3.6Å; W174-Y233 HydrophobicContact CE3-CD2 3.6Å; W174-Y233 HydrophobicContact CE3-CE2 4.13Å; W174-Y233 AromaticContact CH2-CD2 3.94Å; W174-Y233 HydrophobicContact CH2-CD2 3.94Å; W174-Y233 HydrophobicContact CH2-CG 4.4Å; W174-Y233 HydrophobicContact CZ2-CD2 4.26Å; W174-Y233 AromaticContact CZ3-CD2 3.6Å; W174-Y233 HydrophobicContact CZ3-CD2 3.6Å; W174-Y233 HydrophobicContact CZ3-CG 4.39Å; F222-Y233 HydrophobicContact CD2-CE1 4.18Å; F222-Y233 HydrophobicContact CE2-CE1 4.15Å; H223-Y233 PolarHBondContact N-OH 2.9Å; H223-Y233 VanDerWaalsContact N-OH 3.1Å; T226-Y233 HydrophobicContact CG2-CD1 4.06Å; T226-Y233 HydrophobicContact CG2-CD2 3.73Å; T226-Y233 HydrophobicContact CG2-CE2 4.27Å; T226-Y233 HydrophobicContact CG2-CG 3.59Å; Y227-Y233 HydrophobicContact CD2-CD1 4.3Å; Q230-Y233 PolarHBondContact O-N 2.76Å; Y233-K235 PolarHBondContact O-N 2.94Å; Y233-A236 PolarHBondContact O-N 3.45Å; Y233-I237 HydrophobicContact CD1-CG1 3.74Å; Y233-I237 HydrophobicContact CE1-CD1 3.94Å; Y233-I237 HydrophobicContact CE1-CG1 3.6Å; Y233-I237 HydrophobicContact CG-CG1 4.46Å; Y233-I237 WeakPolarHBondContact O-CB 3.48Å; Y233-I237 VanDerWaalsContact O-CG1 3.25Å; Y233-I237 WeakPolarHBondContact O-CG1 3.42Å; Y233-I237 PolarHBondContact O-N 2.96Å
234	K	91	Very high	90	Very high	54 Å²	54	54.6 Å²	54.6	24%	0.235	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-45.2	173.3	178.6	167.4	179.6	-172.8	0	111.4	Y227 Q230 P231 I237 Y238 D268	Y227-K234 HydrophobicContact CD2-CB 4.1Å; Y227-K234 HydrophobicContact CD2-CG 4.32Å; Y227-K234 HydrophobicContact CE2-CB 3.9Å; Y227-K234 HydrophobicContact CE2-CD 4.34Å; Y227-K234 HydrophobicContact CE2-CG 3.62Å; Q230-K234 PolarHBondContact O-N 2.83Å; P231-K234 PolarHBondContact O-N 3.33Å; K234-I237 PolarHBondContact O-N 3.32Å; K234-Y238 WeakPolarHBondContact O-CB 3.1Å; K234-Y238 PolarHBondContact O-N 3.26Å; K234-D268 IonicContact NZ-OD1 2.68Å; K234-D268 PolarHBondContact NZ-OD1 3.3Å; K234-D268 IonicContact NZ-OD2 3.84Å; K234-D268 PolarHBondContact NZ-OD2 3.04Å
235	K	89.1	Confident	90	Very high	105 Å²	105	51.2 Å²	51.2	46%	0.457	26%	0.256	S	S	.	.	H	α-helix	trans	-59.7	-47.2	172.4	-175.2	176.3	-177.1	-77.8	0	112	G200 P231 Y233 I237 Y238 E239	G200-K235 PolarHBondContact O-NZ 2.85Å; P231-K235 WeakPolarHBondContact O-CB 3.41Å; P231-K235 PolarHBondContact O-N 2.84Å; Y233-K235 PolarHBondContact O-N 2.94Å; K235-I237 VanDerWaalsContact C-N 3.34Å; K235-I237 PolarHBondContact O-N 2.86Å; K235-Y238 PolarHBondContact O-N 3.21Å; K235-E239 VanDerWaalsContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CE-OE1 3.43Å; K235-E239 VanDerWaalsContact CG-OE1 3.27Å; K235-E239 WeakPolarHBondContact CG-OE1 3.12Å; K235-E239 IonicContact NZ-OE1 3.52Å; K235-E239 PolarHBondContact NZ-OE1 3.34Å; K235-E239 WeakPolarHBondContact O-CG 3.01Å; K235-E239 PolarHBondContact O-N 2.74Å
236	A	92.8	Very high	90	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-39.6	178.3	0	0	0	0	0	113.5	W174 P175 F199 M232 Y233 V240	W174-A236 HydrophobicContact CZ2-CB 4.01Å; P175-A236 HydrophobicContact CG-CB 3.85Å; F199-A236 VanDerWaalsContact C-CB 3.47Å; F199-A236 HydrophobicContact CB-CB 4.08Å; F199-A236 WeakPolarHBondContact CB-O 3.21Å; F199-A236 WeakPolarHBondContact O-CB 3.37Å; M232-A236 WeakPolarHBondContact O-CB 3.27Å; M232-A236 PolarHBondContact O-N 3.31Å; Y233-A236 PolarHBondContact O-N 3.45Å; A236-V240 WeakPolarHBondContact O-CG1 3.42Å; A236-V240 PolarHBondContact O-N 2.81Å; A236-V240 VanDerWaalsContact O-N 3.13Å
237	I	95.1	Very high	90.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-40.3	175.8	-67.6	-67.3	0	0	0	111.1	W165 P175 F218 F222 Y227 Y233 K234 K235 V240 L241 I275	W165-I237 HydrophobicContact CH2-CD1 3.47Å; W165-I237 VanDerWaalsContact CH2-CD1 3.47Å; W165-I237 HydrophobicContact CZ2-CD1 4.47Å; W165-I237 HydrophobicContact CZ3-CD1 3.9Å; P175-I237 HydrophobicContact CG-CD1 4.12Å; F218-I237 HydrophobicContact CE2-CD1 4.33Å; F218-I237 HydrophobicContact CZ-CD1 4.48Å; F218-I237 HydrophobicContact CZ-CG2 4.3Å; F222-I237 HydrophobicContact CD2-CD1 3.83Å; F222-I237 HydrophobicContact CD2-CG1 4.25Å; F222-I237 HydrophobicContact CE2-CD1 4.18Å; F222-I237 HydrophobicContact CE2-CG1 4.11Å; F222-I237 HydrophobicContact CE2-CG2 4.15Å; Y227-I237 HydrophobicContact CD2-CB 4.13Å; Y227-I237 HydrophobicContact CD2-CG1 4.21Å; Y227-I237 HydrophobicContact CD2-CG2 4.2Å; Y227-I237 HydrophobicContact CE2-CB 4.17Å; Y227-I237 HydrophobicContact CE2-CG2 4.02Å; Y233-I237 HydrophobicContact CD1-CG1 3.74Å; Y233-I237 HydrophobicContact CE1-CD1 3.94Å; Y233-I237 HydrophobicContact CE1-CG1 3.6Å; Y233-I237 HydrophobicContact CG-CG1 4.46Å; Y233-I237 WeakPolarHBondContact O-CB 3.48Å; Y233-I237 VanDerWaalsContact O-CG1 3.25Å; Y233-I237 WeakPolarHBondContact O-CG1 3.42Å; Y233-I237 PolarHBondContact O-N 2.96Å; K234-I237 PolarHBondContact O-N 3.32Å; K235-I237 VanDerWaalsContact C-N 3.34Å; K235-I237 PolarHBondContact O-N 2.86Å; I237-V240 WeakPolarHBondContact O-CG1 3.45Å; I237-L241 HydrophobicContact CG2-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 VanDerWaalsContact O-CB 3.26Å; I237-L241 WeakPolarHBondContact O-CB 3.19Å; I237-L241 WeakPolarHBondContact O-CG 3.22Å; I237-L241 PolarHBondContact O-N 2.81Å; I237-L241 VanDerWaalsContact O-N 3.11Å; I237-I275 HydrophobicContact CG2-CD1 4.05Å; I237-I275 HydrophobicContact CG2-CG1 3.99Å
238	Y	92.8	Very high	90.1	Very high	74 Å²	74	53.5 Å²	53.5	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-52.8	174.5	-179	-115.1	0	0	0	111.6	K234 K235 V240 L241 Q242 L270 N271 M274	K234-Y238 WeakPolarHBondContact O-CB 3.1Å; K234-Y238 PolarHBondContact O-N 3.26Å; K235-Y238 PolarHBondContact O-N 3.21Å; Y238-V240 PolarHBondContact O-N 2.84Å; Y238-L241 CarbonylContact O-C 3.54Å; Y238-L241 PolarHBondContact O-N 3.34Å; Y238-Q242 HydrophobicContact CD1-CG 4.44Å; Y238-Q242 HydrophobicContact CD2-CG 4.42Å; Y238-Q242 HydrophobicContact CE1-CG 4.15Å; Y238-Q242 VanDerWaalsContact CE1-OE1 3.27Å; Y238-Q242 HydrophobicContact CE2-CG 4.12Å; Y238-Q242 WeakPolarHBondContact O-CG 3.07Å; Y238-Q242 PolarHBondContact O-N 3.18Å; Y238-Q242 PolarHBondContact OH-NE2 3.38Å; Y238-L270 HydrophobicContact CE2-CD2 3.91Å; Y238-N271 WeakPolarHBondContact CB-OD1 3.45Å; Y238-N271 WeakPolarHBondContact CD2-OD1 3.28Å; Y238-M274 HydrophobicContact CD2-SD 4.12Å; Y238-M274 HydrophobicContact CE2-SD 4.04Å
239	E	92.6	Very high	90	Very high	45 Å²	45	51.4 Å²	51.4	21%	0.21	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-45.8	-178.3	-70.7	169.5	-167.4	0	0	113.1	F199 G200 K235 L241 Q242 V243	F199-E239 HydrophobicContact CB-CB 4.25Å; F199-E239 HydrophobicContact CD1-CB 3.67Å; F199-E239 HydrophobicContact CE1-CB 4.44Å; F199-E239 HydrophobicContact CG-CB 4.3Å; G200-E239 PolarHBondContact N-OE2 2.75Å; K235-E239 VanDerWaalsContact CE-OE1 3.3Å; K235-E239 WeakPolarHBondContact CE-OE1 3.43Å; K235-E239 VanDerWaalsContact CG-OE1 3.27Å; K235-E239 WeakPolarHBondContact CG-OE1 3.12Å; K235-E239 IonicContact NZ-OE1 3.52Å; K235-E239 PolarHBondContact NZ-OE1 3.34Å; K235-E239 WeakPolarHBondContact O-CG 3.01Å; K235-E239 PolarHBondContact O-N 2.74Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 3.49Å; E239-Q242 WeakPolarHBondContact O-CB 2.85Å; E239-Q242 PolarHBondContact O-N 3.45Å; E239-V243 WeakPolarHBondContact O-CG2 3.49Å; E239-V243 PolarHBondContact O-N 3.41Å; E239-V243 VanDerWaalsContact O-N 3.08Å
240	V	95.3	Very high	90.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-34.4	178.7	75.7	0	0	0	0	111.7	L163 P175 F199 L215 A236 I237 Y238 V243 A244	L163-V240 HydrophobicContact CD1-CG2 4.48Å; L163-V240 HydrophobicContact CD2-CG2 4.42Å; P175-V240 HydrophobicContact CB-CB 3.85Å; P175-V240 HydrophobicContact CB-CG1 3.63Å; P175-V240 HydrophobicContact CB-CG2 3.99Å; P175-V240 HydrophobicContact CG-CB 4.4Å; P175-V240 HydrophobicContact CG-CG1 4.01Å; F199-V240 HydrophobicContact CD2-CB 3.62Å; F199-V240 HydrophobicContact CD2-CG2 3.71Å; F199-V240 HydrophobicContact CE2-CB 3.85Å; F199-V240 HydrophobicContact CE2-CG2 3.51Å; F199-V240 HydrophobicContact CG-CB 3.98Å; F199-V240 HydrophobicContact CZ-CB 4.36Å; F199-V240 HydrophobicContact CZ-CG2 4.17Å; L215-V240 HydrophobicContact CD1-CG1 4.25Å; L215-V240 HydrophobicContact CD1-CG2 3.75Å; L215-V240 HydrophobicContact CD2-CG2 3.74Å; L215-V240 HydrophobicContact CG-CG2 4.4Å; A236-V240 WeakPolarHBondContact O-CG1 3.42Å; A236-V240 PolarHBondContact O-N 2.81Å; A236-V240 VanDerWaalsContact O-N 3.13Å; I237-V240 WeakPolarHBondContact O-CG1 3.45Å; Y238-V240 PolarHBondContact O-N 2.84Å; V240-V243 PolarHBondContact O-N 2.92Å; V240-A244 VanDerWaalsContact O-CB 3.32Å; V240-A244 WeakPolarHBondContact O-CB 3.44Å; V240-A244 PolarHBondContact O-N 2.82Å
241	L	94.3	Very high	90	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-75.8	-29.4	177.4	-68.5	178.8	0	0	0	112.3	F218 I237 Y238 E239 S245 M274 I275 A278 F282	F218-L241 HydrophobicContact CD2-CD2 4.23Å; F218-L241 HydrophobicContact CE2-CD1 4.06Å; F218-L241 HydrophobicContact CE2-CD2 3.78Å; F218-L241 HydrophobicContact CE2-CG 4.17Å; F218-L241 HydrophobicContact CZ-CD1 4.07Å; F218-L241 HydrophobicContact CZ-CD2 4.48Å; I237-L241 HydrophobicContact CG2-CD1 3.73Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 VanDerWaalsContact O-CB 3.26Å; I237-L241 WeakPolarHBondContact O-CB 3.19Å; I237-L241 WeakPolarHBondContact O-CG 3.22Å; I237-L241 PolarHBondContact O-N 2.81Å; I237-L241 VanDerWaalsContact O-N 3.11Å; Y238-L241 CarbonylContact O-C 3.54Å; Y238-L241 PolarHBondContact O-N 3.34Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 3.49Å; L241-S245 WeakPolarHBondContact O-CB 3.46Å; L241-S245 PolarHBondContact O-N 3.29Å; L241-S245 PolarHBondContact O-OG 3.21Å; L241-M274 VanDerWaalsContact C-CE 3.45Å; L241-M274 HydrophobicContact CB-CB 4.25Å; L241-M274 HydrophobicContact CB-CE 3.96Å; L241-M274 HydrophobicContact CD1-CB 4.01Å; L241-M274 WeakPolarHBondContact O-CE 3.33Å; L241-I275 HydrophobicContact CD1-CG1 3.82Å; L241-A278 HydrophobicContact CD1-CB 4.43Å; L241-A278 HydrophobicContact CD2-CB 3.6Å; L241-F282 HydrophobicContact CD2-CE1 3.74Å; L241-F282 HydrophobicContact CD2-CZ 4.25Å
242	Q	91.6	Very high	89.8	Confident	76 Å²	76	44 Å²	44	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-53.5	167.1	-73.2	-178.8	-64.3	0	0	110.2	Y238 E239 A244 S245 S246 M274	Y238-Q242 HydrophobicContact CD1-CG 4.44Å; Y238-Q242 HydrophobicContact CD2-CG 4.42Å; Y238-Q242 HydrophobicContact CE1-CG 4.15Å; Y238-Q242 VanDerWaalsContact CE1-OE1 3.27Å; Y238-Q242 HydrophobicContact CE2-CG 4.12Å; Y238-Q242 WeakPolarHBondContact O-CG 3.07Å; Y238-Q242 PolarHBondContact O-N 3.18Å; Y238-Q242 PolarHBondContact OH-NE2 3.38Å; E239-Q242 WeakPolarHBondContact O-CB 2.85Å; E239-Q242 PolarHBondContact O-N 3.45Å; Q242-A244 VanDerWaalsContact C-N 3.33Å; Q242-A244 PolarHBondContact O-N 2.91Å; Q242-S245 WeakPolarHBondContact CA-OG 3.33Å; Q242-S245 PolarHBondContact O-N 2.82Å; Q242-S245 VanDerWaalsContact O-N 3.08Å; Q242-S245 PolarHBondContact O-OG 2.96Å; Q242-S246 PolarHBondContact O-N 2.82Å; Q242-S246 PolarHBondContact O-OG 3.18Å; Q242-M274 HydrophobicContact CG-CE 4.03Å
243	V	91.8	Very high	88.9	Confident	31 Å²	31	46.7 Å²	46.7	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-43.2	178.2	179.2	0	0	0	0	111.7	L163 F199 E239 V240 S246 R247	L163-V243 HydrophobicContact CD1-CG1 4.06Å; L163-V243 HydrophobicContact CD2-CG1 4.1Å; F199-V243 HydrophobicContact CE1-CG2 3.99Å; F199-V243 HydrophobicContact CZ-CG2 4.21Å; E239-V243 WeakPolarHBondContact O-CG2 3.49Å; E239-V243 PolarHBondContact O-N 3.41Å; E239-V243 VanDerWaalsContact O-N 3.08Å; V240-V243 PolarHBondContact O-N 2.92Å; V243-S246 PolarHBondContact O-N 2.84Å; V243-R247 WeakPolarHBondContact O-CG 3.39Å; V243-R247 PolarHBondContact O-N 3.42Å; V243-R247 VanDerWaalsContact O-N 3.08Å
244	A	92.8	Very high	87.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-43.1	174.4	0	0	0	0	0	112.3	L163 L215 V240 Q242 R247 A248 W277 F282 L290	L163-A244 HydrophobicContact CD1-CB 4.39Å; L215-A244 HydrophobicContact CD2-CB 4.03Å; V240-A244 VanDerWaalsContact O-CB 3.32Å; V240-A244 WeakPolarHBondContact O-CB 3.44Å; V240-A244 PolarHBondContact O-N 2.82Å; Q242-A244 VanDerWaalsContact C-N 3.33Å; Q242-A244 PolarHBondContact O-N 2.91Å; A244-R247 PolarHBondContact O-N 3.14Å; A244-A248 VanDerWaalsContact O-CB 3.22Å; A244-A248 WeakPolarHBondContact O-CB 3.36Å; A244-A248 PolarHBondContact O-N 3.15Å; A244-W277 HydrophobicContact CB-CH2 4.25Å; A244-W277 HydrophobicContact CB-CZ3 4.17Å; A244-F282 HydrophobicContact CB-CD1 4.45Å; A244-F282 HydrophobicContact CB-CE1 4.13Å; A244-L290 HydrophobicContact CB-CD2 3.59Å
245	S	91.2	Very high	85	Confident	17 Å²	17	52.1 Å²	52.1	12%	0.119	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-39.8	179.7	73.5	0	0	0	0	112.3	L241 Q242 A248 G249 K250	L241-S245 WeakPolarHBondContact O-CB 3.46Å; L241-S245 PolarHBondContact O-N 3.29Å; L241-S245 PolarHBondContact O-OG 3.21Å; Q242-S245 WeakPolarHBondContact CA-OG 3.33Å; Q242-S245 PolarHBondContact O-N 2.82Å; Q242-S245 VanDerWaalsContact O-N 3.08Å; Q242-S245 PolarHBondContact O-OG 2.96Å; S245-A248 PolarHBondContact O-N 3.4Å; S245-G249 PolarHBondContact O-N 2.73Å; S245-G249 VanDerWaalsContact O-N 3.15Å; S245-K250 WeakPolarHBondContact CB-O 3.35Å; S245-K250 PolarHBondContact O-N 2.8Å
246	S	89.6	Confident	82.8	Confident	96 Å²	96	52.1 Å²	52.1	67%	0.671	32%	0.321	S	S	*	.	H	α-helix	trans	-64.5	-47.6	174.8	-59.7	0	0	0	0	111.9	Q242 V243 A248 G249	Q242-S246 PolarHBondContact O-N 2.82Å; Q242-S246 PolarHBondContact O-OG 3.18Å; V243-S246 PolarHBondContact O-N 2.84Å; S246-A248 VanDerWaalsContact C-N 3.32Å; S246-A248 PolarHBondContact O-N 3.08Å; S246-G249 PolarHBondContact O-N 3.3Å
247	R	90.6	Very high	80.6	Confident	44 Å²	44	60.3 Å²	60.3	17%	0.166	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-36.2	177.3	-70.3	-179.8	179.8	-173.8	5.8	112.7	G161 V243 A244 G249 G289 L290 E291 E296	G161-R247 PolarHBondContact O-NH1 2.89Å; G161-R247 PolarHBondContact O-NH2 3.21Å; V243-R247 WeakPolarHBondContact O-CG 3.39Å; V243-R247 PolarHBondContact O-N 3.42Å; V243-R247 VanDerWaalsContact O-N 3.08Å; A244-R247 PolarHBondContact O-N 3.14Å; R247-G249 VanDerWaalsContact C-N 3.3Å; R247-G249 PolarHBondContact O-N 3.22Å; R247-G289 CarbonylContact C-O 3.53Å; R247-G289 WeakPolarHBondContact CB-O 3.22Å; R247-L290 WeakPolarHBondContact CD-O 3.36Å; R247-L290 PolarHBondContact NH1-O 2.8Å; R247-E291 WeakPolarHBondContact CD-O 3.42Å; R247-E296 IonicContact CZ-OE2 2.83Å; R247-E296 IonicContact NE-OE2 2.8Å; R247-E296 IonicContact NH2-OE2 3.45Å; R247-E296 PolarHBondContact NH2-OE2 3.09Å
248	A	87.6	Confident	78.1	Confident	13 Å²	13	64.3 Å²	64.3	11%	0.107	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.8	179	0	0	0	0	0	114.3	A244 S245 S246 K250 W277 T285 G289	A244-A248 VanDerWaalsContact O-CB 3.22Å; A244-A248 WeakPolarHBondContact O-CB 3.36Å; A244-A248 PolarHBondContact O-N 3.15Å; S245-A248 PolarHBondContact O-N 3.4Å; S246-A248 VanDerWaalsContact C-N 3.32Å; S246-A248 PolarHBondContact O-N 3.08Å; A248-K250 HydrophobicContact CB-CB 4.23Å; A248-K250 PolarHBondContact O-N 3.45Å; A248-W277 HydrophobicContact CB-CH2 3.74Å; A248-W277 HydrophobicContact CB-CZ2 3.6Å; A248-T285 WeakPolarHBondContact CB-OG1 3.2Å; A248-G289 WeakPolarHBondContact CA-O 3.44Å; A248-G289 PolarHBondContact N-O 2.98Å; A248-G289 VanDerWaalsContact N-O 3.11Å
249	G	83.2	Confident	75.8	Confident	69 Å²	69	67.1 Å²	67.1	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	19.1	-172.9	0	0	0	0	0	113.9	S245 S246 R247 A251	S245-G249 PolarHBondContact O-N 2.73Å; S245-G249 VanDerWaalsContact O-N 3.15Å; S246-G249 PolarHBondContact O-N 3.3Å; R247-G249 VanDerWaalsContact C-N 3.3Å; R247-G249 PolarHBondContact O-N 3.22Å; G249-A251 PolarHBondContact O-N 3Å
250	K	84.8	Confident	73.7	Confident	82 Å²	82	73.8 Å²	73.8	36%	0.357	44%	0.444	S	S	.	.			trans	-92.6	90.4	-172	177.2	54.3	-179.1	161.5	0	110.5	S245 A248 F252 W277	S245-K250 WeakPolarHBondContact CB-O 3.35Å; S245-K250 PolarHBondContact O-N 2.8Å; A248-K250 HydrophobicContact CB-CB 4.23Å; A248-K250 PolarHBondContact O-N 3.45Å; K250-F252 HydrophobicContact CB-CE2 4.48Å; K250-F252 HydrophobicContact CG-CD2 4.31Å; K250-F252 HydrophobicContact CG-CE2 3.59Å; K250-F252 HydrophobicContact CG-CZ 3.86Å; K250-F252 WeakPolarHBondContact O-CD2 3.49Å; K250-W277 HydrophobicContact CB-CH2 4.16Å; K250-W277 HydrophobicContact CB-CZ2 3.79Å; K250-W277 HydrophobicContact CG-CD2 4.09Å; K250-W277 HydrophobicContact CG-CH2 4.39Å; K250-W277 HydrophobicContact CG-CZ2 3.91Å
251	A	79.3	Confident	71.5	Confident	82 Å²	82	78.2 Å²	78.2	68%	0.678	48%	0.475	S	S	*	.			trans	-63.8	136.3	171.9	0	0	0	0	0	111.9	G249	G249-A251 PolarHBondContact O-N 3Å
252	F	81	Confident	69.2	Low	39 Å²	39	82.5 Å²	82.5	17%	0.171	50%	0.495	C	S	.	.			trans	-114.7	129.1	164.4	-67.9	-91	0	0	0	107.5	K250 A254 L270 E273 M274 W277	K250-F252 HydrophobicContact CB-CE2 4.48Å; K250-F252 HydrophobicContact CG-CD2 4.31Å; K250-F252 HydrophobicContact CG-CE2 3.59Å; K250-F252 HydrophobicContact CG-CZ 3.86Å; K250-F252 WeakPolarHBondContact O-CD2 3.49Å; F252-A254 PolarHBondContact O-N 3.44Å; F252-L270 HydrophobicContact CB-CD1 4.11Å; F252-L270 HydrophobicContact CB-CG 4.32Å; F252-E273 HydrophobicContact CD1-CB 4.13Å; F252-E273 HydrophobicContact CE1-CB 4.04Å; F252-M274 HydrophobicContact CD1-CG 3.85Å; F252-M274 HydrophobicContact CD2-CE 4.19Å; F252-M274 HydrophobicContact CD2-CG 3.85Å; F252-M274 HydrophobicContact CE1-CB 4.38Å; F252-M274 HydrophobicContact CE1-CG 3.81Å; F252-M274 HydrophobicContact CE2-CE 4.36Å; F252-M274 HydrophobicContact CE2-CG 3.8Å; F252-M274 HydrophobicContact CG-CG 3.88Å; F252-M274 HydrophobicContact CZ-CB 4.23Å; F252-M274 HydrophobicContact CZ-CG 3.8Å; F252-W277 HydrophobicContact CE1-CB 4.42Å; F252-W277 HydrophobicContact CE2-CD2 4.32Å; F252-W277 AromaticContact CE2-CE3 3.88Å; F252-W277 HydrophobicContact CE2-CE3 3.88Å; F252-W277 HydrophobicContact CE2-CZ3 4.25Å; F252-W277 HydrophobicContact CZ-CB 3.93Å; F252-W277 AromaticContact CZ-CD2 3.87Å; F252-W277 HydrophobicContact CZ-CD2 3.87Å; F252-W277 AromaticContact CZ-CE3 3.71Å; F252-W277 HydrophobicContact CZ-CE3 3.71Å; F252-W277 AromaticContact CZ-CG 3.97Å; F252-W277 HydrophobicContact CZ-CG 3.97Å
253	I	69.8	Low	67.4	Low	152 Å²	152	81.7 Å²	81.7	78%	0.779	50%	0.495	S	S	*	.			trans	-84.7	113.7	-172.4	-60.2	175.4	0	0	0	109
254	A	58.1	Low	65.6	Low	74 Å²	74	84.4 Å²	84.4	61%	0.612	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-69.1	129.8	163.5	0	0	0	0	0	109.2	F252	F252-A254 PolarHBondContact O-N 3.44Å
255	C	41.4	Very low	63.9	Low	94 Å²	94	90.4 Å²	90.4	64%	0.635	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-69.5	134.6	178.6	-150.6	0	0	0	0	110.1
256	P	43.2	Very low	62.4	Low	105 Å²	105	91.7 Å²	91.7	68%	0.682	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-67	160.7	178.7	28.2	-35.3	0	0	0	112.8	S258	P256-S258 PolarHBondContact O-N 3.33Å
257	D	47.1	Very low	61.3	Low	173 Å²	173	90.2 Å²	90.2	93%	0.925	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.8	128.6	-161.8	-59.5	-76.5	0	0	0	115.9
258	S	42.3	Very low	60.4	Low	83 Å²	83	92 Å²	92	58%	0.58	55%	0.55	S	S	*	*			trans	-153.5	132.8	159.2	51.5	0	0	0	0	110.4	P256	P256-S258 PolarHBondContact O-N 3.33Å
259	D	44.1	Very low	59.8	Low	134 Å²	134	97.2 Å²	97.2	72%	0.717	57%	0.574	S	S	*	*			trans	28.3	125.7	175.3	-72.3	-10.8	0	0	0	120.1	S261 E262	D259-S261 PolarHBondContact O-N 2.99Å; D259-E262 PolarHBondContact O-N 3.35Å
260	E	48.1	Very low	59.7	Low	184 Å²	184	95.2 Å²	95.2	86%	0.86	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-10.7	-179.7	-61.8	-169.7	149.5	0	0	116.5
261	S	49.4	Very low	59.7	Low	94 Å²	94	91.6 Å²	91.6	66%	0.657	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.4	175.1	82.8	0	0	0	0	114.5	D259	D259-S261 PolarHBondContact O-N 2.99Å
262	E	45.6	Very low	60.1	Low	90 Å²	90	93.9 Å²	93.9	42%	0.421	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-27.8	-175.3	-66.3	-91.9	88.9	0	0	112.8	D259 S264 K265 S266	D259-E262 PolarHBondContact O-N 3.35Å; E262-S264 PolarHBondContact O-N 2.99Å; E262-S264 VanDerWaalsContact O-N 3.08Å; E262-K265 WeakPolarHBondContact O-CB 3.35Å; E262-K265 PolarHBondContact O-N 3.06Å; E262-K265 IonicContact OE1-NZ 3.95Å; E262-K265 PolarHBondContact OE1-NZ 3.31Å; E262-S266 PolarHBondContact O-N 3.17Å
263	T	53.6	Low	60.4	Low	60 Å²	60	96.7 Å²	96.7	37%	0.368	54%	0.54	S	S	.	.	H	α-helix	trans	-52.4	-38.4	-172.9	-33.7	0	0	0	0	113.1	K265 S266 V267	T263-K265 VanDerWaalsContact C-N 3.3Å; T263-K265 PolarHBondContact O-N 3.48Å; T263-S266 WeakPolarHBondContact O-CB 3.26Å; T263-S266 PolarHBondContact O-N 2.84Å; T263-V267 PolarHBondContact O-N 2.84Å
264	S	55.2	Low	61.4	Low	88 Å²	88	89.7 Å²	89.7	62%	0.615	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-33.8	176.7	-174.3	0	0	0	0	113.7	E262	E262-S264 PolarHBondContact O-N 2.99Å; E262-S264 VanDerWaalsContact O-N 3.08Å
265	K	56.5	Low	63.1	Low	126 Å²	126	86.9 Å²	86.9	55%	0.548	48%	0.478	S	S	.	.	H	α-helix	trans	-77.7	-39.8	177.2	-55.2	172.4	-169.9	165.3	0	111.4	E262 T263 D268 M269	E262-K265 WeakPolarHBondContact O-CB 3.35Å; E262-K265 PolarHBondContact O-N 3.06Å; E262-K265 IonicContact OE1-NZ 3.95Å; E262-K265 PolarHBondContact OE1-NZ 3.31Å; T263-K265 VanDerWaalsContact C-N 3.3Å; T263-K265 PolarHBondContact O-N 3.48Å; K265-D268 PolarHBondContact O-N 2.82Å; K265-M269 PolarHBondContact O-N 2.92Å
266	S	60.6	Low	65.5	Low	44 Å²	44	87.7 Å²	87.7	31%	0.308	47%	0.473	S	S	.	.	H	α-helix	trans	-57	-51	179.5	179.9	0	0	0	0	111.4	E262 T263 D268 M269 L270	E262-S266 PolarHBondContact O-N 3.17Å; T263-S266 WeakPolarHBondContact O-CB 3.26Å; T263-S266 PolarHBondContact O-N 2.84Å; S266-D268 VanDerWaalsContact C-N 3.32Å; S266-D268 PolarHBondContact O-N 3.42Å; S266-M269 PolarHBondContact O-N 2.84Å; S266-L270 PolarHBondContact O-N 2.85Å
267	V	65.6	Low	67.9	Low	64 Å²	64	83.5 Å²	83.5	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-37	178.4	176.7	0	0	0	0	112.1	T263 N271	T263-V267 PolarHBondContact O-N 2.84Å; V267-N271 WeakPolarHBondContact O-CB 3.26Å; V267-N271 PolarHBondContact O-N 3.07Å; V267-N271 PolarHBondContact O-ND2 3.48Å
268	D	72.4	Confident	70.1	Confident	81 Å²	81	75.3 Å²	75.3	43%	0.433	40%	0.4	S	S	.	.	H	α-helix	trans	-73.4	-29.9	178.7	-89	32.7	0	0	0	113.3	K234 K265 S266 K272	K234-D268 IonicContact NZ-OD1 2.68Å; K234-D268 PolarHBondContact NZ-OD1 3.3Å; K234-D268 IonicContact NZ-OD2 3.84Å; K234-D268 PolarHBondContact NZ-OD2 3.04Å; K265-D268 PolarHBondContact O-N 2.82Å; S266-D268 VanDerWaalsContact C-N 3.32Å; S266-D268 PolarHBondContact O-N 3.42Å; D268-K272 PolarHBondContact O-N 2.73Å
269	M	75.3	Confident	72.4	Confident	123 Å²	123	74.7 Å²	74.7	61%	0.606	39%	0.389	S	S	*	.	H	α-helix	trans	-70.7	-48.8	170.2	-76	-172.3	58.6	0	0	111.9	K265 S266 N271 K272 E273	K265-M269 PolarHBondContact O-N 2.92Å; S266-M269 PolarHBondContact O-N 2.84Å; M269-N271 VanDerWaalsContact C-N 3.32Å; M269-N271 PolarHBondContact O-N 3.18Å; M269-K272 WeakPolarHBondContact O-CA 3.35Å; M269-K272 VanDerWaalsContact O-CB 3.31Å; M269-K272 WeakPolarHBondContact O-CB 3.18Å; M269-K272 PolarHBondContact O-N 2.65Å; M269-E273 PolarHBondContact O-N 3.43Å
270	L	80.2	Confident	74.5	Confident	28 Å²	28	72.6 Å²	72.6	15%	0.147	38%	0.38	C	S	.	.	H	α-helix	trans	-60.3	-41.4	179.3	-176.8	140.6	0	0	0	111.7	Y238 F252 S266 K272 E273 M274	Y238-L270 HydrophobicContact CE2-CD2 3.91Å; F252-L270 HydrophobicContact CB-CD1 4.11Å; F252-L270 HydrophobicContact CB-CG 4.32Å; S266-L270 PolarHBondContact O-N 2.85Å; L270-K272 VanDerWaalsContact C-N 3.28Å; L270-K272 PolarHBondContact O-N 2.89Å; L270-E273 PolarHBondContact O-N 3.45Å; L270-M274 HydrophobicContact CD2-CG 4.38Å; L270-M274 HydrophobicContact CD2-SD 3.57Å; L270-M274 VanDerWaalsContact CD2-SD 3.57Å; L270-M274 VanDerWaalsContact O-CG 3.32Å; L270-M274 WeakPolarHBondContact O-CG 3.42Å; L270-M274 PolarHBondContact O-N 3.31Å
271	N	84.4	Confident	76.4	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.027	35%	0.351	C	S	.	.	H	α-helix	trans	-57.9	-38.5	171.5	-91.3	-88.5	0	0	0	113	Y227 Y238 V267 M269 I275	Y227-N271 WeakPolarHBondContact OH-CB 3.39Å; Y238-N271 WeakPolarHBondContact CB-OD1 3.45Å; Y238-N271 WeakPolarHBondContact CD2-OD1 3.28Å; V267-N271 WeakPolarHBondContact O-CB 3.26Å; V267-N271 PolarHBondContact O-N 3.07Å; V267-N271 PolarHBondContact O-ND2 3.48Å; M269-N271 VanDerWaalsContact C-N 3.32Å; M269-N271 PolarHBondContact O-N 3.18Å; N271-I275 WeakPolarHBondContact O-CD1 3.3Å; N271-I275 VanDerWaalsContact O-CG1 3.29Å; N271-I275 WeakPolarHBondContact O-CG1 3.37Å; N271-I275 PolarHBondContact O-N 3.16Å; N271-I275 VanDerWaalsContact O-N 3.1Å
272	K	87.8	Confident	78.5	Confident	130 Å²	130	60.4 Å²	60.4	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-66.7	-43.3	178.7	-169.6	-163.2	168.9	-126.5	0	111.2	D268 M269 L270 I275 E276	D268-K272 PolarHBondContact O-N 2.73Å; M269-K272 WeakPolarHBondContact O-CA 3.35Å; M269-K272 VanDerWaalsContact O-CB 3.31Å; M269-K272 WeakPolarHBondContact O-CB 3.18Å; M269-K272 PolarHBondContact O-N 2.65Å; L270-K272 VanDerWaalsContact C-N 3.28Å; L270-K272 PolarHBondContact O-N 2.89Å; K272-I275 PolarHBondContact O-N 3.43Å; K272-E276 IonicContact NZ-OE2 2.96Å; K272-E276 PolarHBondContact NZ-OE2 3.19Å; K272-E276 WeakPolarHBondContact O-CB 3.42Å; K272-E276 PolarHBondContact O-N 3.25Å
273	E	88.1	Confident	80.3	Confident	98 Å²	98	61.5 Å²	61.5	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-42.7	177.1	-67.4	-179.4	-171.1	0	0	112.3	F252 M269 L270 I275 E276 W277	F252-E273 HydrophobicContact CD1-CB 4.13Å; F252-E273 HydrophobicContact CE1-CB 4.04Å; M269-E273 PolarHBondContact O-N 3.43Å; L270-E273 PolarHBondContact O-N 3.45Å; E273-I275 VanDerWaalsContact C-N 3.31Å; E273-I275 PolarHBondContact O-N 3.4Å; E273-E276 PolarHBondContact O-N 2.82Å; E273-W277 WeakPolarHBondContact O-CB 3.08Å; E273-W277 PolarHBondContact O-N 3.03Å
274	M	91.3	Very high	81.7	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-39.3	175.6	-65.1	177.2	94.3	0	0	112	Y238 L241 Q242 F252 L270 A278	Y238-M274 HydrophobicContact CD2-SD 4.12Å; Y238-M274 HydrophobicContact CE2-SD 4.04Å; L241-M274 VanDerWaalsContact C-CE 3.45Å; L241-M274 HydrophobicContact CB-CB 4.25Å; L241-M274 HydrophobicContact CB-CE 3.96Å; L241-M274 HydrophobicContact CD1-CB 4.01Å; L241-M274 WeakPolarHBondContact O-CE 3.33Å; Q242-M274 HydrophobicContact CG-CE 4.03Å; F252-M274 HydrophobicContact CD1-CG 3.85Å; F252-M274 HydrophobicContact CD2-CE 4.19Å; F252-M274 HydrophobicContact CD2-CG 3.85Å; F252-M274 HydrophobicContact CE1-CB 4.38Å; F252-M274 HydrophobicContact CE1-CG 3.81Å; F252-M274 HydrophobicContact CE2-CE 4.36Å; F252-M274 HydrophobicContact CE2-CG 3.8Å; F252-M274 HydrophobicContact CG-CG 3.88Å; F252-M274 HydrophobicContact CZ-CB 4.23Å; F252-M274 HydrophobicContact CZ-CG 3.8Å; L270-M274 HydrophobicContact CD2-CG 4.38Å; L270-M274 HydrophobicContact CD2-SD 3.57Å; L270-M274 VanDerWaalsContact CD2-SD 3.57Å; L270-M274 VanDerWaalsContact O-CG 3.32Å; L270-M274 WeakPolarHBondContact O-CG 3.42Å; L270-M274 PolarHBondContact O-N 3.31Å; M274-A278 WeakPolarHBondContact O-CB 3.5Å; M274-A278 PolarHBondContact O-N 3.45Å
275	I	93.3	Very high	83.2	Confident	16 Å²	16	62.7 Å²	62.7	8%	0.082	33%	0.33	C	S	.	.	H	α-helix	trans	-69.1	-42	175.6	-71.5	166.4	0	0	0	111	F218 F222 Y227 I237 L241 N271 K272 E273 W277 A278 M279	F218-I275 HydrophobicContact CE1-CG2 4.22Å; F218-I275 HydrophobicContact CZ-CG1 4.36Å; F222-I275 HydrophobicContact CE1-CG2 3.94Å; F222-I275 HydrophobicContact CE2-CD1 4.3Å; F222-I275 HydrophobicContact CZ-CD1 4Å; F222-I275 HydrophobicContact CZ-CG2 4.07Å; Y227-I275 HydrophobicContact CD1-CD1 4.48Å; Y227-I275 HydrophobicContact CD2-CD1 4.2Å; Y227-I275 HydrophobicContact CE1-CD1 3.89Å; Y227-I275 HydrophobicContact CE2-CD1 3.56Å; I237-I275 HydrophobicContact CG2-CD1 4.05Å; I237-I275 HydrophobicContact CG2-CG1 3.99Å; L241-I275 HydrophobicContact CD1-CG1 3.82Å; N271-I275 WeakPolarHBondContact O-CD1 3.3Å; N271-I275 VanDerWaalsContact O-CG1 3.29Å; N271-I275 WeakPolarHBondContact O-CG1 3.37Å; N271-I275 PolarHBondContact O-N 3.16Å; N271-I275 VanDerWaalsContact O-N 3.1Å; K272-I275 PolarHBondContact O-N 3.43Å; E273-I275 VanDerWaalsContact C-N 3.31Å; E273-I275 PolarHBondContact O-N 3.4Å; I275-W277 VanDerWaalsContact C-N 3.33Å; I275-W277 PolarHBondContact O-N 2.75Å; I275-A278 PolarHBondContact O-N 3.03Å; I275-A278 VanDerWaalsContact O-N 3.16Å; I275-M279 HydrophobicContact CG2-CG 4.07Å; I275-M279 WeakPolarHBondContact O-CB 3.14Å; I275-M279 WeakPolarHBondContact O-CG 3.24Å; I275-M279 PolarHBondContact O-N 3.42Å
276	E	91.7	Very high	84.6	Confident	111 Å²	111	56.9 Å²	56.9	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-64.4	-38.1	178.5	-164.7	162.2	165.4	0	0	111.7	K272 E273 T280	K272-E276 IonicContact NZ-OE2 2.96Å; K272-E276 PolarHBondContact NZ-OE2 3.19Å; K272-E276 WeakPolarHBondContact O-CB 3.42Å; K272-E276 PolarHBondContact O-N 3.25Å; E273-E276 PolarHBondContact O-N 2.82Å; E276-T280 WeakPolarHBondContact O-CG2 3.28Å; E276-T280 PolarHBondContact O-N 2.91Å; E276-T280 PolarHBondContact O-OG1 3.48Å
277	W	93.3	Very high	85.9	Confident	17 Å²	17	58.6 Å²	58.6	6%	0.064	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-40.6	169.7	173.6	61	0	0	0	113.5	A244 A248 K250 F252 E273 I275 T280 G281 F282 Q283	A244-W277 HydrophobicContact CB-CH2 4.25Å; A244-W277 HydrophobicContact CB-CZ3 4.17Å; A248-W277 HydrophobicContact CB-CH2 3.74Å; A248-W277 HydrophobicContact CB-CZ2 3.6Å; K250-W277 HydrophobicContact CB-CH2 4.16Å; K250-W277 HydrophobicContact CB-CZ2 3.79Å; K250-W277 HydrophobicContact CG-CD2 4.09Å; K250-W277 HydrophobicContact CG-CH2 4.39Å; K250-W277 HydrophobicContact CG-CZ2 3.91Å; F252-W277 HydrophobicContact CE1-CB 4.42Å; F252-W277 HydrophobicContact CE2-CD2 4.32Å; F252-W277 AromaticContact CE2-CE3 3.88Å; F252-W277 HydrophobicContact CE2-CE3 3.88Å; F252-W277 HydrophobicContact CE2-CZ3 4.25Å; F252-W277 HydrophobicContact CZ-CB 3.93Å; F252-W277 AromaticContact CZ-CD2 3.87Å; F252-W277 HydrophobicContact CZ-CD2 3.87Å; F252-W277 AromaticContact CZ-CE3 3.71Å; F252-W277 HydrophobicContact CZ-CE3 3.71Å; F252-W277 AromaticContact CZ-CG 3.97Å; F252-W277 HydrophobicContact CZ-CG 3.97Å; E273-W277 WeakPolarHBondContact O-CB 3.08Å; E273-W277 PolarHBondContact O-N 3.03Å; I275-W277 VanDerWaalsContact C-N 3.33Å; I275-W277 PolarHBondContact O-N 2.75Å; W277-T280 WeakPolarHBondContact CA-OG1 3.14Å; W277-T280 PolarHBondContact O-OG1 2.96Å; W277-G281 PolarHBondContact O-N 2.98Å; W277-F282 HydrophobicContact CD2-CD1 4.32Å; W277-F282 HydrophobicContact CE3-CD1 4.04Å; W277-F282 AromaticContact CH2-CD1 3.69Å; W277-F282 HydrophobicContact CH2-CD1 3.69Å; W277-F282 HydrophobicContact CZ2-CB 3.99Å; W277-F282 AromaticContact CZ2-CD1 3.97Å; W277-F282 HydrophobicContact CZ2-CD1 3.97Å; W277-F282 HydrophobicContact CZ2-CG 4.5Å; W277-F282 AromaticContact CZ3-CD1 3.73Å; W277-F282 HydrophobicContact CZ3-CD1 3.73Å; W277-F282 HydrophobicContact CZ3-CE1 4.2Å; W277-F282 PolarHBondContact O-N 3.49Å; W277-Q283 VanDerWaalsContact CD1-O 3.32Å; W277-Q283 PolarHBondContact NE1-O 2.97Å
278	A	92.5	Very high	86.8	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-71.7	-39.6	177.4	0	0	0	0	0	112.7	F218 L241 M274 I275 T280 G281 F282	F218-A278 HydrophobicContact CB-CB 4.3Å; F218-A278 HydrophobicContact CD1-CB 3.63Å; F218-A278 HydrophobicContact CD2-CB 3.63Å; F218-A278 HydrophobicContact CE1-CB 3.77Å; F218-A278 HydrophobicContact CE2-CB 3.79Å; F218-A278 HydrophobicContact CG-CB 3.58Å; F218-A278 HydrophobicContact CZ-CB 3.85Å; L241-A278 HydrophobicContact CD1-CB 4.43Å; L241-A278 HydrophobicContact CD2-CB 3.6Å; M274-A278 WeakPolarHBondContact O-CB 3.5Å; M274-A278 PolarHBondContact O-N 3.45Å; I275-A278 PolarHBondContact O-N 3.03Å; I275-A278 VanDerWaalsContact O-N 3.16Å; A278-T280 VanDerWaalsContact C-N 3.29Å; A278-T280 PolarHBondContact O-N 3.38Å; A278-G281 PolarHBondContact O-N 3.39Å; A278-F282 HydrophobicContact CB-CD1 4.26Å; A278-F282 HydrophobicContact CB-CE1 3.59Å; A278-F282 HydrophobicContact CB-CE2 4.26Å; A278-F282 HydrophobicContact CB-CZ 3.6Å
279	M	91.1	Very high	87.4	Confident	70 Å²	70	60.1 Å²	60.1	35%	0.345	32%	0.317	S	S	.	.	H	α-helix	trans	-66.5	-29.5	176.2	-67	-72.7	-75.3	0	0	112.4	F218 N219 F222 I275 G281	F218-M279 HydrophobicContact CD1-CG 3.98Å; F218-M279 HydrophobicContact CD1-SD 3.65Å; F218-M279 HydrophobicContact CE1-CG 3.96Å; F218-M279 HydrophobicContact CE1-SD 3.84Å; N219-M279 HydrophobicContact CB-SD 4.37Å; N219-M279 WeakPolarHBondContact OD1-CE 3.27Å; F222-M279 HydrophobicContact CB-SD 4.41Å; F222-M279 HydrophobicContact CD1-SD 3.94Å; I275-M279 HydrophobicContact CG2-CG 4.07Å; I275-M279 WeakPolarHBondContact O-CB 3.14Å; I275-M279 WeakPolarHBondContact O-CG 3.24Å; I275-M279 PolarHBondContact O-N 3.42Å; M279-G281 PolarHBondContact O-N 3.12Å
280	T	88.8	Confident	88	Confident	89 Å²	89	54.9 Å²	54.9	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.2	170.5	48.9	0	0	0	0	113.8	E276 W277 A278 Q283	E276-T280 WeakPolarHBondContact O-CG2 3.28Å; E276-T280 PolarHBondContact O-N 2.91Å; E276-T280 PolarHBondContact O-OG1 3.48Å; W277-T280 WeakPolarHBondContact CA-OG1 3.14Å; W277-T280 PolarHBondContact O-OG1 2.96Å; A278-T280 VanDerWaalsContact C-N 3.29Å; A278-T280 PolarHBondContact O-N 3.38Å; T280-Q283 WeakPolarHBondContact O-CG 3.31Å
281	G	87.8	Confident	88.4	Confident	23 Å²	23	58.3 Å²	58.3	24%	0.237	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	28.4	172.2	0	0	0	0	0	114.9	W277 A278 M279 Q283 G286	W277-G281 PolarHBondContact O-N 2.98Å; A278-G281 PolarHBondContact O-N 3.39Å; M279-G281 PolarHBondContact O-N 3.12Å; G281-Q283 PolarHBondContact O-N 3.48Å; G281-G286 WeakPolarHBondContact O-CA 3.44Å
282	F	92.6	Very high	88.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	64.4	35.7	173.5	-52.4	-90.7	0	0	0	114.4	L215 F218 L241 A244 W277 A278 T285 G286 L290	L215-F282 HydrophobicContact CD2-CE1 4.39Å; L215-F282 HydrophobicContact CD2-CZ 4.18Å; L215-F282 HydrophobicContact CG-CZ 3.99Å; F218-F282 HydrophobicContact CB-CE2 3.79Å; F218-F282 HydrophobicContact CB-CZ 3.94Å; F218-F282 AromaticContact CD2-CZ 3.89Å; F218-F282 HydrophobicContact CD2-CZ 3.89Å; F218-F282 HydrophobicContact CG-CE2 4.49Å; F218-F282 HydrophobicContact CG-CZ 4.17Å; L241-F282 HydrophobicContact CD2-CE1 3.74Å; L241-F282 HydrophobicContact CD2-CZ 4.25Å; A244-F282 HydrophobicContact CB-CD1 4.45Å; A244-F282 HydrophobicContact CB-CE1 4.13Å; W277-F282 HydrophobicContact CD2-CD1 4.32Å; W277-F282 HydrophobicContact CE3-CD1 4.04Å; W277-F282 AromaticContact CH2-CD1 3.69Å; W277-F282 HydrophobicContact CH2-CD1 3.69Å; W277-F282 HydrophobicContact CZ2-CB 3.99Å; W277-F282 AromaticContact CZ2-CD1 3.97Å; W277-F282 HydrophobicContact CZ2-CD1 3.97Å; W277-F282 HydrophobicContact CZ2-CG 4.5Å; W277-F282 AromaticContact CZ3-CD1 3.73Å; W277-F282 HydrophobicContact CZ3-CD1 3.73Å; W277-F282 HydrophobicContact CZ3-CE1 4.2Å; W277-F282 PolarHBondContact O-N 3.49Å; A278-F282 HydrophobicContact CB-CD1 4.26Å; A278-F282 HydrophobicContact CB-CE1 3.59Å; A278-F282 HydrophobicContact CB-CE2 4.26Å; A278-F282 HydrophobicContact CB-CZ 3.6Å; F282-T285 PolarHBondContact O-OG1 3.09Å; F282-G286 WeakPolarHBondContact O-CA 3.21Å; F282-G286 PolarHBondContact O-N 3.39Å; F282-L290 HydrophobicContact CB-CD2 4.41Å; F282-L290 HydrophobicContact CD1-CD1 4.32Å; F282-L290 HydrophobicContact CD1-CD2 3.75Å; F282-L290 HydrophobicContact CD2-CD1 3.78Å; F282-L290 HydrophobicContact CE1-CD1 4.41Å; F282-L290 HydrophobicContact CE1-CD2 4.09Å; F282-L290 HydrophobicContact CE2-CD1 3.9Å; F282-L290 HydrophobicContact CG-CD1 4Å; F282-L290 HydrophobicContact CG-CD2 4.02Å; F282-L290 HydrophobicContact CG-CG 4.37Å; F282-L290 HydrophobicContact CZ-CD1 4.21Å
283	Q	84.9	Confident	88.1	Confident	112 Å²	112	55 Å²	55	52%	0.523	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	146.5	179.4	-64.1	-63.8	-18.7	0	0	112.4	W277 T280 G281	W277-Q283 VanDerWaalsContact CD1-O 3.32Å; W277-Q283 PolarHBondContact NE1-O 2.97Å; T280-Q283 WeakPolarHBondContact O-CG 3.31Å; G281-Q283 PolarHBondContact O-N 3.48Å
284	P	82.3	Confident	87.2	Confident	116 Å²	116	58 Å²	58	75%	0.753	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.6	-12.3	8.3	36	-36.5	0	0	0	114.7	G286	P284-G286 VanDerWaalsContact C-N 3.33Å
285	T	86	Confident	85.8	Confident	57 Å²	57	65 Å²	65	35%	0.35	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-24	-178	48.4	0	0	0	0	113.1	A248 F282	A248-T285 WeakPolarHBondContact CB-OG1 3.2Å; F282-T285 PolarHBondContact O-OG1 3.09Å
286	G	86.8	Confident	84.3	Confident	5 Å²	5	66.4 Å²	66.4	5%	0.052	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	61.4	-154.2	-177.6	0	0	0	0	0	112.6	G281 F282 P284 K288 G289	G281-G286 WeakPolarHBondContact O-CA 3.44Å; F282-G286 WeakPolarHBondContact O-CA 3.21Å; F282-G286 PolarHBondContact O-N 3.39Å; P284-G286 VanDerWaalsContact C-N 3.33Å; G286-K288 PolarHBondContact O-N 3.48Å; G286-K288 VanDerWaalsContact O-N 3.14Å; G286-G289 PolarHBondContact O-N 3.46Å; G286-G289 VanDerWaalsContact O-N 3.08Å
287	P	86.8	Confident	82.7	Confident	80 Å²	80	66.5 Å²	66.5	52%	0.519	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-55.3	-30.9	179.1	-26.5	34.9	0	0	0	114.6	G289 L290	P287-G289 VanDerWaalsContact C-N 3.28Å; P287-G289 PolarHBondContact O-N 3.31Å; P287-L290 WeakPolarHBondContact O-CB 3.18Å; P287-L290 PolarHBondContact O-N 3.46Å; P287-L290 VanDerWaalsContact O-N 3.12Å
288	K	85.1	Confident	80.9	Confident	168 Å²	168	72.3 Å²	72.3	73%	0.73	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-64.7	-31.1	179.3	-65.1	-171.3	174.9	-170.1	0	112.7	G286 L290 E291	G286-K288 PolarHBondContact O-N 3.48Å; G286-K288 VanDerWaalsContact O-N 3.14Å; K288-L290 PolarHBondContact O-N 3.36Å; K288-L290 VanDerWaalsContact O-N 3.16Å; K288-E291 PolarHBondContact O-N 3.21Å
289	G	85.1	Confident	78.5	Confident	9 Å²	9	74.8 Å²	74.8	9%	0.093	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-71.8	1.3	174.8	0	0	0	0	0	114.7	R247 A248 G286 P287	R247-G289 CarbonylContact C-O 3.53Å; R247-G289 WeakPolarHBondContact CB-O 3.22Å; A248-G289 WeakPolarHBondContact CA-O 3.44Å; A248-G289 PolarHBondContact N-O 2.98Å; A248-G289 VanDerWaalsContact N-O 3.11Å; G286-G289 PolarHBondContact O-N 3.46Å; G286-G289 VanDerWaalsContact O-N 3.08Å; P287-G289 VanDerWaalsContact C-N 3.28Å; P287-G289 PolarHBondContact O-N 3.31Å
290	L	88.9	Confident	76	Confident	13 Å²	13	77.1 Å²	77.1	7%	0.068	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-105.7	-8.5	177.8	-53.1	179.9	0	0	0	112.8	L215 A244 R247 F282 P287 K288	L215-L290 HydrophobicContact CB-CD1 4.23Å; L215-L290 HydrophobicContact CD2-CD1 4.31Å; L215-L290 HydrophobicContact CD2-CD2 4.44Å; L215-L290 HydrophobicContact CG-CD1 4.44Å; A244-L290 HydrophobicContact CB-CD2 3.59Å; R247-L290 WeakPolarHBondContact CD-O 3.36Å; R247-L290 PolarHBondContact NH1-O 2.8Å; F282-L290 HydrophobicContact CB-CD2 4.41Å; F282-L290 HydrophobicContact CD1-CD1 4.32Å; F282-L290 HydrophobicContact CD1-CD2 3.75Å; F282-L290 HydrophobicContact CD2-CD1 3.78Å; F282-L290 HydrophobicContact CE1-CD1 4.41Å; F282-L290 HydrophobicContact CE1-CD2 4.09Å; F282-L290 HydrophobicContact CE2-CD1 3.9Å; F282-L290 HydrophobicContact CG-CD1 4Å; F282-L290 HydrophobicContact CG-CD2 4.02Å; F282-L290 HydrophobicContact CG-CG 4.37Å; F282-L290 HydrophobicContact CZ-CD1 4.21Å; P287-L290 WeakPolarHBondContact O-CB 3.18Å; P287-L290 PolarHBondContact O-N 3.46Å; P287-L290 VanDerWaalsContact O-N 3.12Å; K288-L290 PolarHBondContact O-N 3.36Å; K288-L290 VanDerWaalsContact O-N 3.16Å
291	E	87.1	Confident	73.2	Confident	100 Å²	100	78.2 Å²	78.2	47%	0.467	41%	0.413	S	S	.	.	S	Bend	trans	-62.4	143.6	-178	-73.1	-169.6	-129.5	0	0	111.9	R247 K288 R297	R247-E291 WeakPolarHBondContact CD-O 3.42Å; K288-E291 PolarHBondContact O-N 3.21Å; E291-R297 IonicContact OE2-CZ 2.86Å; E291-R297 IonicContact OE2-NH2 3.81Å; E291-R297 PolarHBondContact OE2-NH2 2.94Å
292	P	87.2	Confident	70.7	Confident	8 Å²	8	83.9 Å²	83.9	5%	0.052	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-67.7	139.7	178.1	23.9	-29.5	0	0	0	111.7	I160 E162 E296 R297	I160-P292 WeakPolarHBondContact O-CG 3.22Å; E162-P292 HydrophobicContact CG-CG 4.39Å; P292-E296 HydrophobicContact CB-CB 4.2Å; P292-R297 HydrophobicContact CB-CG 4.25Å; P292-R297 HydrophobicContact CG-CG 3.93Å; P292-R297 PolarHBondContact O-NE 3.32Å; P292-R297 PolarHBondContact O-NH2 2.98Å
293	P	80.3	Confident	67.9	Low	57 Å²	57	89.1 Å²	89.1	37%	0.37	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-53.4	152.8	168.1	-24.3	33.8	0	0	0	112	E295 E296 R297	P293-E295 PolarHBondContact O-N 3.29Å; P293-E296 PolarHBondContact O-N 3Å; P293-R297 PolarHBondContact O-N 2.72Å
294	E	68	Low	65.2	Low	161 Å²	161	92 Å²	92	75%	0.752	48%	0.476	S	S	*	.	H	α-helix	trans	-58.6	-33.5	-178.1	-58.9	-173.3	157.5	0	0	112.4	E296 R297 N298	E294-E296 VanDerWaalsContact C-N 3.35Å; E294-E296 PolarHBondContact O-N 3.16Å; E294-R297 PolarHBondContact O-N 2.93Å; E294-R297 VanDerWaalsContact O-N 3.13Å; E294-N298 PolarHBondContact O-N 3.26Å
295	E	62	Low	62.5	Low	152 Å²	152	92.9 Å²	92.9	71%	0.71	47%	0.472	S	S	*	.	H	α-helix	trans	-57.9	-41	172.7	-62.6	164.1	-178.3	0	0	112.7	P293 R297 S299	P293-E295 PolarHBondContact O-N 3.29Å; E295-R297 VanDerWaalsContact C-N 3.34Å; E295-S299 PolarHBondContact O-OG 3.37Å
296	E	61.9	Low	59.9	Low	46 Å²	46	102.1 Å²	102.1	22%	0.215	50%	0.501	C	S	.	.	H	α-helix	trans	-78.7	-16	177.6	-65.7	-167.2	159.1	0	0	112.9	I160 R177 R247 P292 P293 E294	I160-E296 WeakPolarHBondContact CG2-O 3.49Å; R177-E296 IonicContact CZ-OE1 3.41Å; R177-E296 IonicContact CZ-OE2 3.26Å; R177-E296 IonicContact NH1-OE1 2.88Å; R177-E296 PolarHBondContact NH1-OE1 3.05Å; R177-E296 IonicContact NH1-OE2 3.33Å; R177-E296 PolarHBondContact NH1-OE2 2.88Å; R177-E296 IonicContact NH2-OE1 2.69Å; R247-E296 IonicContact CZ-OE2 2.83Å; R247-E296 IonicContact NE-OE2 2.8Å; R247-E296 IonicContact NH2-OE2 3.45Å; R247-E296 PolarHBondContact NH2-OE2 3.09Å; P292-E296 HydrophobicContact CB-CB 4.2Å; P293-E296 PolarHBondContact O-N 3Å; E294-E296 VanDerWaalsContact C-N 3.35Å; E294-E296 PolarHBondContact O-N 3.16Å
297	R	59.2	Low	57	Low	113 Å²	113	107.1 Å²	107.1	43%	0.426	53%	0.53	S	S	.	.	H	α-helix	trans	-83.7	-37.2	177.9	-63.5	-171	-165.6	-148.4	4.4	113.2	E291 P292 P293 E294 E295	E291-R297 IonicContact OE2-CZ 2.86Å; E291-R297 IonicContact OE2-NH2 3.81Å; E291-R297 PolarHBondContact OE2-NH2 2.94Å; P292-R297 HydrophobicContact CB-CG 4.25Å; P292-R297 HydrophobicContact CG-CG 3.93Å; P292-R297 PolarHBondContact O-NE 3.32Å; P292-R297 PolarHBondContact O-NH2 2.98Å; P293-R297 PolarHBondContact O-N 2.72Å; E294-R297 PolarHBondContact O-N 2.93Å; E294-R297 VanDerWaalsContact O-N 3.13Å; E295-R297 VanDerWaalsContact C-N 3.34Å
298	N	54.1	Low	54	Low	138 Å²	138	111.5 Å²	111.5	74%	0.738	54%	0.544	S	S	*	.	S	Bend	trans	-108.5	6.7	-163.2	-69.6	-16.4	0	0	0	115.9	E294 E300	E294-N298 PolarHBondContact O-N 3.26Å; N298-E300 PolarHBondContact O-N 3.19Å; N298-E300 VanDerWaalsContact O-N 3.16Å
299	S	41.9	Very low	51.2	Low	54 Å²	54	109.3 Å²	109.3	38%	0.378	55%	0.547	S	S	.	.			trans	-85.2	91	-167.3	-72.3	0	0	0	0	115.1	E295 V301	E295-S299 PolarHBondContact O-OG 3.37Å; S299-V301 PolarHBondContact O-N 2.94Å
300	E	39.2	Very low	48.4	Very low	118 Å²	118	117.8 Å²	117.8	55%	0.551	58%	0.584	S	S	*	*	S	Bend	trans	-67.8	-11.5	160.5	-103	-167.9	129.5	0	0	113.3	K144 T148 N298	K144-E300 IonicContact NZ-OE1 3.18Å; K144-E300 PolarHBondContact NZ-OE1 2.95Å; K144-E300 IonicContact NZ-OE2 3.81Å; K144-E300 PolarHBondContact NZ-OE2 3.17Å; T148-E300 PolarHBondContact OG1-OE1 3.14Å; N298-E300 PolarHBondContact O-N 3.19Å; N298-E300 VanDerWaalsContact O-N 3.16Å
301	V	31.2	Very low	45.9	Very low	112 Å²	112	122 Å²	122	68%	0.679	62%	0.621	S	S	*	*			trans	-136.6	124.4	178	-179.4	0	0	0	0	109	S299	S299-V301 PolarHBondContact O-N 2.94Å
302	Y	35.4	Very low	42.9	Very low	142 Å²	142	121.2 Å²	121.2	56%	0.557	63%	0.631	S	S	*	*			trans	-119.1	127.7	162.9	-100.4	-70.4	0	0	0	109.5
303	P	31.8	Very low	40.2	Very low	110 Å²	110	125.5 Å²	125.5	71%	0.714	67%	0.667	S	S	*	*			trans	-66.9	174.9	169.3	-22	34.8	0	0	0	113.8
304	E	28.6	Very low	37.6	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.813	69%	0.685	S	S	*	*	S	Bend	trans	-26.1	138.9	-179.2	-57.6	-174.7	139.3	0	0	119.6
305	I	27.2	Very low	35.6	Very low	133 Å²	133	129.2 Å²	129.2	68%	0.682	68%	0.68	S	S	*	*			trans	45.2	98.5	139.9	-50	172.3	0	0	0	116	V307	I305-V307 VanDerWaalsContact C-N 3.34Å; I305-V307 HydrophobicContact CG2-CG2 3.78Å; I305-V307 PolarHBondContact O-N 2.78Å
306	W	29.5	Very low	34	Very low	251 Å²	251	127.5 Å²	127.5	95%	0.951	68%	0.682	S	S	*	*			trans	-62.8	99.8	148.5	-95.1	72.1	0	0	0	108.8
307	V	26.3	Very low	32.4	Very low	111 Å²	111	131.1 Å²	131.1	67%	0.673	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-67.8	130.1	170.5	178.5	0	0	0	0	107.8	I305 P309	I305-V307 VanDerWaalsContact C-N 3.34Å; I305-V307 HydrophobicContact CG2-CG2 3.78Å; I305-V307 PolarHBondContact O-N 2.78Å; V307-P309 WeakPolarHBondContact O-CD 3.37Å
308	E	24.6	Very low	30.9	Very low	171 Å²	171	131 Å²	131	80%	0.799	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-62.8	124.9	169.5	-67.3	-172.7	131.4	0	0	108.7	E310	E308-E310 PolarHBondContact O-N 3.06Å
309	P	26.3	Very low	29.9	Very low	122 Å²	122	129.6 Å²	129.6	79%	0.792	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-55.3	128.5	167.2	-23.3	34.5	0	0	0	108.9	V307	V307-P309 WeakPolarHBondContact O-CD 3.37Å
310	E	26.3	Very low	29.4	Very low	188 Å²	188	136.5 Å²	136.5	88%	0.879	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-55.6	152.2	-167.9	-68.6	-179.4	103.1	0	0	113.1	E308 A312	E308-E310 PolarHBondContact O-N 3.06Å; E310-A312 PolarHBondContact O-N 2.82Å
311	A	35.3	Very low	29	Very low	101 Å²	101	140.4 Å²	140.4	84%	0.835	77%	0.77	S	S	*	*			trans	-63.2	92.2	-174.1	0	0	0	0	0	112.4	A313	A311-A313 PolarHBondContact O-N 2.82Å
312	A	24.7	Very low	29.1	Very low	84 Å²	84	140.8 Å²	140.8	69%	0.694	77%	0.774	S	S	*	*			trans	-55.5	106.5	165.8	0	0	0	0	0	109.1	E310 Y314	E310-A312 PolarHBondContact O-N 2.82Å; A312-Y314 PolarHBondContact O-N 3.33Å
313	A	30.1	Very low	28.7	Very low	97 Å²	97	145.5 Å²	145.5	80%	0.802	79%	0.791	S	S	*	*			trans	-70.4	100.6	-164	0	0	0	0	0	112.3	A311	A311-A313 PolarHBondContact O-N 2.82Å
314	Y	25.5	Very low	28.4	Very low	191 Å²	191	149.1 Å²	149.1	75%	0.749	80%	0.796	S	S	*	*			trans	-87.7	111.7	168.4	-94.2	-85.7	0	0	0	111.2	A312	A312-Y314 PolarHBondContact O-N 3.33Å
315	T	26.1	Very low	28.5	Very low	106 Å²	106	146.3 Å²	146.3	65%	0.65	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.5	148	173.2	47.4	0	0	0	0	111.6
316	P	28.3	Very low	28.5	Very low	115 Å²	115	146.8 Å²	146.8	75%	0.747	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71	132.4	-178.1	28	-34.2	0	0	0	111.3
317	P	28.5	Very low	28.5	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.3	138.3	-176.4	26.4	-34.4	0	0	0	112.2
318	P	28.2	Very low	28.8	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73	144.6	-173.8	28.4	-35.4	0	0	0	113.2	K320	P318-K320 PolarHBondContact O-N 3.36Å
319	A	33.7	Very low	29	Very low	108 Å²	108	146.6 Å²	146.6	89%	0.893	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-64.6	118.3	-178.1	0	0	0	0	0	112.8
320	K	30.2	Very low	29.5	Very low	199 Å²	199	144.2 Å²	144.2	87%	0.865	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-95.4	142.4	176.5	-70.5	-175.6	178	177.3	0	112.4	P318	P318-K320 PolarHBondContact O-N 3.36Å
321	K	30.5	Very low	29.7	Very low	201 Å²	201	145.3 Å²	145.3	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82.7	157.5	-172.2	-67.6	175.2	-179.1	174.1	0	112.4
322	P	35	Very low	29.7	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-85.6	137.2	-173.4	33.1	-35.8	0	0	0	114.6
323	R	26.1	Very low	30	Very low	240 Å²	240	150.7 Å²	150.7	91%	0.906	81%	0.813	S	S	*	*			trans	164.5	156.8	158.2	-93.4	161.1	178.4	-172.2	0.5	106.4
324	K	26	Very low	30.3	Very low	187 Å²	187	153.9 Å²	153.9	81%	0.813	82%	0.817	S	S	*	*			cis	-146.3	165.9	1.7	-134.7	176.5	-175.3	-174.2	0	107.6
325	S	30.9	Very low	31	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	81%	0.808	S	S	*	*			trans	-79.7	137.5	179.1	52.1	0	0	0	0	113.7
326	T	26.8	Very low	31.9	Very low	143 Å²	143	149.1 Å²	149.1	88%	0.877	80%	0.798	S	S	*	*			trans	-137.9	158.8	162.2	26.3	0	0	0	0	110.2
327	V	29.4	Very low	32.7	Very low	144 Å²	144	147.1 Å²	147.1	87%	0.873	78%	0.781	S	S	*	*			trans	-80.9	153.1	-158.5	178.6	0	0	0	0	113.7
328	E	32.4	Very low	33.8	Very low	172 Å²	172	148.5 Å²	148.5	80%	0.804	78%	0.777	S	S	*	*			trans	-61.4	150.1	-177.4	-51.1	178.1	116.3	0	0	115.1
329	K	28.2	Very low	35.4	Very low	212 Å²	212	151.7 Å²	151.7	92%	0.922	77%	0.774	S	S	*	*			trans	-137.2	113.3	130.1	-72.3	-163.5	176.4	-178.9	0	108.9
330	G	36.3	Very low	37.4	Very low	73 Å²	73	149.3 Å²	149.3	75%	0.753	75%	0.749	S	S	*	*			trans	-75.8	155.9	-171.6	0	0	0	0	0	114.7
331	K	31.3	Very low	40	Very low	211 Å²	211	140.3 Å²	140.3	92%	0.917	71%	0.709	S	S	*	*			trans	-129.3	142.4	157.9	-72.4	-168.1	174.5	-176.1	0	108.8	K333	K331-K333 PolarHBondContact O-N 3.14Å
332	V	36	Very low	42.8	Very low	138 Å²	138	135.2 Å²	135.2	84%	0.836	69%	0.689	S	S	*	*			trans	-61.2	127.2	-165.6	179.3	0	0	0	0	111.7
333	K	31.3	Very low	45.4	Very low	160 Å²	160	137.5 Å²	137.5	70%	0.696	68%	0.682	S	S	*	*			trans	-89.6	144.4	150.6	-75	174.7	171.7	178.7	0	107.2	K331 I335	K331-K333 PolarHBondContact O-N 3.14Å; K333-I335 HydrophobicContact CB-CD1 4.21Å; K333-I335 HydrophobicContact CB-CG1 3.84Å; K333-I335 HydrophobicContact CD-CD1 3.62Å; K333-I335 HydrophobicContact CD-CG1 3.75Å; K333-I335 PolarHBondContact O-N 3Å
334	D	36.1	Very low	48.5	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	64%	0.641	S	S	*	*			trans	-72.3	66.8	154.9	-60.3	-52.6	0	0	0	109.7
335	I	38.8	Very low	51.6	Low	113 Å²	113	117.8 Å²	117.8	58%	0.579	60%	0.604	S	S	*	*			trans	-75.3	119.9	152.2	-64.8	165.4	0	0	0	104.3	K333 D337	K333-I335 HydrophobicContact CB-CD1 4.21Å; K333-I335 HydrophobicContact CB-CG1 3.84Å; K333-I335 HydrophobicContact CD-CD1 3.62Å; K333-I335 HydrophobicContact CD-CG1 3.75Å; K333-I335 PolarHBondContact O-N 3Å; I335-D337 PolarHBondContact O-N 3.47Å
336	I	45.8	Very low	54.4	Low	84 Å²	84	119 Å²	119	43%	0.431	59%	0.592	S	S	.	*			trans	-67.7	97.3	155.9	-56.6	175.8	0	0	0	104.5	T340 C362	I336-T340 HydrophobicContact CG2-CG2 4.27Å; I336-C362 WeakPolarHBondContact CG2-O 3.44Å
337	D	46.2	Very low	57.5	Low	73 Å²	73	113.7 Å²	113.7	39%	0.39	56%	0.557	S	S	.	*			trans	-53.4	140.3	177.5	-173.8	-10.4	0	0	0	108.3	I335 R339 T340 R341	I335-D337 PolarHBondContact O-N 3.47Å; D337-R339 PolarHBondContact O-N 2.89Å; D337-R339 PolarHBondContact OD1-N 2.81Å; D337-T340 WeakPolarHBondContact O-CA 3.39Å; D337-T340 VanDerWaalsContact O-CB 3.24Å; D337-T340 WeakPolarHBondContact O-CB 3.33Å; D337-T340 PolarHBondContact O-N 2.89Å; D337-R341 PolarHBondContact O-N 3.4Å
338	E	50.9	Low	60.5	Low	151 Å²	151	107.4 Å²	107.4	71%	0.706	52%	0.519	S	S	*	.	H	α-helix	trans	-52.8	-39.8	172.6	-67.8	177.1	156.2	0	0	108.7	T340 R341 E342	E338-T340 VanDerWaalsContact C-N 3.27Å; E338-T340 PolarHBondContact O-N 3.38Å; E338-R341 WeakPolarHBondContact O-CB 3.43Å; E338-R341 PolarHBondContact O-N 2.74Å; E338-E342 WeakPolarHBondContact O-CG 3.24Å; E338-E342 PolarHBondContact O-N 3.32Å
339	R	60.8	Low	63.3	Low	177 Å²	177	104 Å²	104	67%	0.668	50%	0.499	S	S	*	.	H	α-helix	trans	-62.4	-24.5	173.7	-61.6	175	164.9	-170.7	-4.1	114.8	D337 R343	D337-R339 PolarHBondContact O-N 2.89Å; D337-R339 PolarHBondContact OD1-N 2.81Å; R339-R343 WeakPolarHBondContact O-CB 2.97Å; R339-R343 PolarHBondContact O-N 2.94Å
340	T	76.4	Confident	66.4	Low	58 Å²	58	99 Å²	99	36%	0.356	48%	0.478	S	S	.	.	H	α-helix	trans	-68.4	-41.1	172.5	-64.4	0	0	0	0	110	I336 D337 E338 R343 L344	I336-T340 HydrophobicContact CG2-CG2 4.27Å; D337-T340 WeakPolarHBondContact O-CA 3.39Å; D337-T340 VanDerWaalsContact O-CB 3.24Å; D337-T340 WeakPolarHBondContact O-CB 3.33Å; D337-T340 PolarHBondContact O-N 2.89Å; E338-T340 VanDerWaalsContact C-N 3.27Å; E338-T340 PolarHBondContact O-N 3.38Å; T340-R343 PolarHBondContact O-N 2.96Å; T340-L344 HydrophobicContact CG2-CD1 3.9Å; T340-L344 HydrophobicContact CG2-CG 4.41Å; T340-L344 WeakPolarHBondContact O-CB 3.49Å; T340-L344 VanDerWaalsContact O-CG 3.24Å; T340-L344 WeakPolarHBondContact O-CG 3.35Å; T340-L344 PolarHBondContact O-N 3.27Å
341	R	85.9	Confident	68.8	Low	10 Å²	10	104.7 Å²	104.7	4%	0.038	48%	0.482	C	S	.	.	H	α-helix	trans	-64	-46.2	172.9	-170.1	-177.3	-175.1	-150.3	-1.1	110.9	D337 E338 R343 L344 V345 I360 E426 C427 L430	D337-R341 PolarHBondContact O-N 3.4Å; E338-R341 WeakPolarHBondContact O-CB 3.43Å; E338-R341 PolarHBondContact O-N 2.74Å; R341-R343 PolarHBondContact O-N 2.85Å; R341-L344 PolarHBondContact O-N 3.05Å; R341-V345 WeakPolarHBondContact O-CB 3.38Å; R341-V345 VanDerWaalsContact O-CG2 3.31Å; R341-V345 WeakPolarHBondContact O-CG2 3.17Å; R341-V345 PolarHBondContact O-N 2.86Å; R341-I360 PolarHBondContact NE-O 3.34Å; R341-I360 PolarHBondContact NH2-O 2.76Å; R341-E426 IonicContact CZ-OE1 3.78Å; R341-E426 VanDerWaalsContact NH1-CD 3.26Å; R341-E426 IonicContact NH1-OE1 3.58Å; R341-E426 PolarHBondContact NH1-OE1 3.17Å; R341-E426 IonicContact NH1-OE2 3.38Å; R341-C427 PolarHBondContact NH1-SG 3.36Å; R341-C427 PolarHBondContact NH2-SG 2.63Å; R341-L430 HydrophobicContact CG-CD1 4.29Å
342	E	87.9	Confident	71.6	Confident	94 Å²	94	99.2 Å²	99.2	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-57.6	-48.5	175.9	-54.6	-169.3	122.6	0	0	111.9	E338 V345 Y346 L430	E338-E342 WeakPolarHBondContact O-CG 3.24Å; E338-E342 PolarHBondContact O-N 3.32Å; E342-V345 PolarHBondContact O-N 2.69Å; E342-Y346 PolarHBondContact O-N 2.72Å; E342-L430 HydrophobicContact CB-CD2 4.22Å; E342-L430 HydrophobicContact CG-CD1 4.31Å; E342-L430 HydrophobicContact CG-CD2 3.79Å
343	R	89.3	Confident	74.2	Confident	168 Å²	168	96.5 Å²	96.5	63%	0.634	44%	0.444	S	S	*	.	H	α-helix	trans	-62.1	-46	179.7	176.1	-176.4	161.9	160.9	1.6	112.2	R339 T340 R341 V345 Y346 E347	R339-R343 WeakPolarHBondContact O-CB 2.97Å; R339-R343 PolarHBondContact O-N 2.94Å; T340-R343 PolarHBondContact O-N 2.96Å; R341-R343 PolarHBondContact O-N 2.85Å; R343-V345 VanDerWaalsContact C-N 3.33Å; R343-Y346 CarbonylContact O-C 3.55Å; R343-Y346 WeakPolarHBondContact O-CA 3.21Å; R343-Y346 WeakPolarHBondContact O-CB 3.28Å; R343-Y346 PolarHBondContact O-N 3.06Å; R343-Y346 VanDerWaalsContact O-N 3.14Å; R343-E347 IonicContact CZ-OE1 3.56Å; R343-E347 VanDerWaalsContact CZ-OE1 3.3Å; R343-E347 IonicContact NE-OE1 2.67Å; R343-E347 PolarHBondContact NE-OE1 3.27Å; R343-E347 IonicContact NH2-OE1 3.79Å; R343-E347 PolarHBondContact NH2-OE1 2.81Å; R343-E347 WeakPolarHBondContact O-CG 3.21Å; R343-E347 PolarHBondContact O-N 3.08Å
344	L	91.5	Very high	77.2	Confident	9 Å²	9	91 Å²	91	5%	0.047	43%	0.426	C	S	.	.	H	α-helix	trans	-65.8	-39	-179.6	-72.4	171	0	0	0	111.3	T340 R341 Y346 E347 V348 I358 G363 L365	T340-L344 HydrophobicContact CG2-CD1 3.9Å; T340-L344 HydrophobicContact CG2-CG 4.41Å; T340-L344 WeakPolarHBondContact O-CB 3.49Å; T340-L344 VanDerWaalsContact O-CG 3.24Å; T340-L344 WeakPolarHBondContact O-CG 3.35Å; T340-L344 PolarHBondContact O-N 3.27Å; R341-L344 PolarHBondContact O-N 3.05Å; L344-Y346 VanDerWaalsContact C-N 3.3Å; L344-Y346 PolarHBondContact O-N 3.17Å; L344-E347 PolarHBondContact O-N 3.07Å; L344-V348 WeakPolarHBondContact O-CG2 3.49Å; L344-V348 PolarHBondContact O-N 2.89Å; L344-I358 HydrophobicContact CB-CD1 4.38Å; L344-I358 HydrophobicContact CB-CG2 4.43Å; L344-I358 HydrophobicContact CD1-CG2 4.5Å; L344-G363 WeakPolarHBondContact CD1-O 3.4Å; L344-L365 HydrophobicContact CD1-CD2 3.74Å; L344-L365 HydrophobicContact CD1-CG 4.33Å; L344-L365 HydrophobicContact CD2-CD2 3.89Å; L344-L365 HydrophobicContact CG-CD2 4.49Å
345	V	91.3	Very high	79.8	Confident	5 Å²	5	84.5 Å²	84.5	3%	0.03	39%	0.391	C	S	.	.	H	α-helix	trans	-65.7	-34	172.4	174.4	0	0	0	0	111.3	R341 E342 R343 V348 R349 I358 L430 L431 L459	R341-V345 WeakPolarHBondContact O-CB 3.38Å; R341-V345 VanDerWaalsContact O-CG2 3.31Å; R341-V345 WeakPolarHBondContact O-CG2 3.17Å; R341-V345 PolarHBondContact O-N 2.86Å; E342-V345 PolarHBondContact O-N 2.69Å; R343-V345 VanDerWaalsContact C-N 3.33Å; V345-V348 PolarHBondContact O-N 2.92Å; V345-R349 WeakPolarHBondContact O-CG 3.19Å; V345-R349 PolarHBondContact O-N 3.4Å; V345-I358 HydrophobicContact CG2-CD1 4.35Å; V345-L430 VanDerWaalsContact CG1-O 3.31Å; V345-L430 WeakPolarHBondContact CG1-O 3.33Å; V345-L431 HydrophobicContact CG1-CD2 4.39Å; V345-L431 HydrophobicContact CG2-CD2 3.97Å; V345-L459 HydrophobicContact CG1-CD1 3.95Å
346	Y	90.3	Very high	82.4	Confident	140 Å²	140	84.3 Å²	84.3	55%	0.549	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-43.6	170.7	-177.6	-90.4	0	0	0	112.6	E342 R343 L344 V348 R349 Q350	E342-Y346 PolarHBondContact O-N 2.72Å; R343-Y346 CarbonylContact O-C 3.55Å; R343-Y346 WeakPolarHBondContact O-CA 3.21Å; R343-Y346 WeakPolarHBondContact O-CB 3.28Å; R343-Y346 PolarHBondContact O-N 3.06Å; R343-Y346 VanDerWaalsContact O-N 3.14Å; L344-Y346 VanDerWaalsContact C-N 3.3Å; L344-Y346 PolarHBondContact O-N 3.17Å; Y346-V348 VanDerWaalsContact C-N 3.25Å; Y346-V348 PolarHBondContact O-N 3.31Å; Y346-R349 PolarHBondContact O-N 2.93Å; Y346-Q350 HydrophobicContact CD1-CG 4.05Å; Y346-Q350 HydrophobicContact CE1-CG 3.61Å; Y346-Q350 WeakPolarHBondContact O-CG 3.4Å; Y346-Q350 PolarHBondContact O-N 2.96Å; Y346-Q350 PolarHBondContact OH-NE2 3.01Å
347	E	91.4	Very high	84.7	Confident	32 Å²	32	84.2 Å²	84.2	15%	0.15	39%	0.388	C	S	.	.	H	α-helix	trans	-57	-39.1	173.6	-73	175.5	-168.3	0	0	111.3	R343 L344 Q350 K351 C352 R353	R343-E347 IonicContact CZ-OE1 3.56Å; R343-E347 VanDerWaalsContact CZ-OE1 3.3Å; R343-E347 IonicContact NE-OE1 2.67Å; R343-E347 PolarHBondContact NE-OE1 3.27Å; R343-E347 IonicContact NH2-OE1 3.79Å; R343-E347 PolarHBondContact NH2-OE1 2.81Å; R343-E347 WeakPolarHBondContact O-CG 3.21Å; R343-E347 PolarHBondContact O-N 3.08Å; L344-E347 PolarHBondContact O-N 3.07Å; E347-Q350 PolarHBondContact O-N 2.72Å; E347-K351 PolarHBondContact O-N 2.98Å; E347-C352 HydrophobicContact CB-CB 4.44Å; E347-C352 WeakPolarHBondContact O-CB 3.43Å; E347-C352 PolarHBondContact O-N 2.98Å; E347-R353 IonicContact OE2-CZ 3.76Å; E347-R353 IonicContact OE2-NE 3.16Å; E347-R353 PolarHBondContact OE2-NE 3.47Å; E347-R353 VanDerWaalsContact OE2-NE 3.14Å; E347-R353 IonicContact OE2-NH2 3.81Å; E347-R353 PolarHBondContact OE2-NH2 2.85Å
348	V	92.5	Very high	87	Confident	12 Å²	12	80.9 Å²	80.9	7%	0.073	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-43.9	171.6	174.2	0	0	0	0	112	L344 V345 Y346 Q350 K351 R353 L355 I358 L459	L344-V348 WeakPolarHBondContact O-CG2 3.49Å; L344-V348 PolarHBondContact O-N 2.89Å; V345-V348 PolarHBondContact O-N 2.92Å; Y346-V348 VanDerWaalsContact C-N 3.25Å; Y346-V348 PolarHBondContact O-N 3.31Å; V348-Q350 PolarHBondContact O-N 3.38Å; V348-K351 WeakPolarHBondContact O-CA 3.4Å; V348-K351 PolarHBondContact O-N 2.84Å; V348-R353 HydrophobicContact CG2-CB 4.05Å; V348-R353 HydrophobicContact CG2-CG 4.44Å; V348-L355 HydrophobicContact CG1-CD2 3.83Å; V348-L355 HydrophobicContact CG1-CG 3.85Å; V348-L355 HydrophobicContact CG2-CD2 4.44Å; V348-I358 HydrophobicContact CG2-CD1 3.97Å; V348-L459 HydrophobicContact CB-CD1 4.16Å; V348-L459 HydrophobicContact CG1-CD1 3.67Å; V348-L459 HydrophobicContact CG1-CD2 4.03Å; V348-L459 HydrophobicContact CG1-CG 4.47Å
349	R	91.4	Very high	89.2	Confident	101 Å²	101	73.7 Å²	73.7	38%	0.381	34%	0.337	S	S	.	.	H	α-helix	trans	-60.3	-30.5	175.5	-71.1	-176.6	-176.2	-92.6	-4.2	112.6	V345 Y346 K351 L430 L431 V432 L459	V345-R349 WeakPolarHBondContact O-CG 3.19Å; V345-R349 PolarHBondContact O-N 3.4Å; Y346-R349 PolarHBondContact O-N 2.93Å; R349-K351 VanDerWaalsContact C-N 3.27Å; R349-L430 PolarHBondContact NH2-O 3.12Å; R349-L431 PolarHBondContact NH2-O 3.45Å; R349-L431 VanDerWaalsContact NH2-O 3.17Å; R349-V432 PolarHBondContact NH1-O 3.17Å; R349-V432 VanDerWaalsContact NH2-C 3.26Å; R349-V432 PolarHBondContact NH2-O 3.16Å; R349-L459 HydrophobicContact CG-CD1 3.53Å; R349-L459 HydrophobicContact CG-CD2 4.49Å; R349-L459 HydrophobicContact CG-CG 4.1Å
350	Q	91.9	Very high	90.8	Very high	105 Å²	105	65.4 Å²	65.4	49%	0.491	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	4.3	173.2	-58.7	-55.5	-34.4	0	0	113.9	Y346 E347 V348 C352	Y346-Q350 HydrophobicContact CD1-CG 4.05Å; Y346-Q350 HydrophobicContact CE1-CG 3.61Å; Y346-Q350 WeakPolarHBondContact O-CG 3.4Å; Y346-Q350 PolarHBondContact O-N 2.96Å; Y346-Q350 PolarHBondContact OH-NE2 3.01Å; E347-Q350 PolarHBondContact O-N 2.72Å; V348-Q350 PolarHBondContact O-N 3.38Å; Q350-C352 PolarHBondContact O-N 2.98Å
351	K	88.6	Confident	91.6	Very high	193 Å²	193	63 Å²	63	84%	0.839	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	25.2	-175.5	-53.6	-175.5	179	-175.8	0	114.6	E347 V348 R349 R353	E347-K351 PolarHBondContact O-N 2.98Å; V348-K351 WeakPolarHBondContact O-CA 3.4Å; V348-K351 PolarHBondContact O-N 2.84Å; R349-K351 VanDerWaalsContact C-N 3.27Å; K351-R353 VanDerWaalsContact C-N 3.35Å
352	C	89.8	Confident	91.9	Very high	96 Å²	96	64.3 Å²	64.3	65%	0.649	30%	0.301	S	S	*	.	S	Bend	trans	-86.9	-3.1	177.5	-55.5	0	0	0	0	113.6	E347 Q350	E347-C352 HydrophobicContact CB-CB 4.44Å; E347-C352 WeakPolarHBondContact O-CB 3.43Å; E347-C352 PolarHBondContact O-N 2.98Å; Q350-C352 PolarHBondContact O-N 2.98Å
353	R	90.6	Very high	92.1	Very high	81 Å²	81	60 Å²	60	31%	0.306	28%	0.282	S	S	.	.	S	Bend	trans	-160.9	152.4	-174.8	-166.7	-178.9	-64	-80.2	0.7	110.7	E347 V348 K351 D357 I358	E347-R353 IonicContact OE2-CZ 3.76Å; E347-R353 IonicContact OE2-NE 3.16Å; E347-R353 PolarHBondContact OE2-NE 3.47Å; E347-R353 VanDerWaalsContact OE2-NE 3.14Å; E347-R353 IonicContact OE2-NH2 3.81Å; E347-R353 PolarHBondContact OE2-NH2 2.85Å; V348-R353 HydrophobicContact CG2-CB 4.05Å; V348-R353 HydrophobicContact CG2-CG 4.44Å; K351-R353 VanDerWaalsContact C-N 3.35Å; R353-D357 HydrophobicContact CG-CB 3.9Å; R353-D357 WeakPolarHBondContact CG-OD2 3.45Å; R353-I358 HydrophobicContact CG-CG2 4.31Å
354	S	93	Very high	92.2	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	26%	0.258	S	S	.	.			trans	-80.2	158.4	168.6	-173	0	0	0	0	111.8	E356 D357	S354-E356 PolarHBondContact O-N 3.39Å; S354-E356 PolarHBondContact OG-N 2.88Å; S354-E356 VanDerWaalsContact OG-N 3.12Å; S354-D357 WeakPolarHBondContact CA-OD2 3.38Å; S354-D357 VanDerWaalsContact CB-OD2 3.25Å; S354-D357 WeakPolarHBondContact CB-OD2 3.38Å; S354-D357 PolarHBondContact N-OD2 2.94Å
355	L	92.3	Very high	92.3	Very high	27 Å²	27	56.7 Å²	56.7	14%	0.141	28%	0.278	C	S	.	.	S	Bend	trans	-67.2	-24.5	164.1	-74.1	169.5	0	0	0	111.9	V348 I358 I360 G376 G377 L459	V348-L355 HydrophobicContact CG1-CD2 3.83Å; V348-L355 HydrophobicContact CG1-CG 3.85Å; V348-L355 HydrophobicContact CG2-CD2 4.44Å; L355-I358 WeakPolarHBondContact O-CG1 3.29Å; L355-I358 PolarHBondContact O-N 3.1Å; L355-I360 HydrophobicContact CD2-CG2 4.29Å; L355-G376 CarbonylContact O-C 3.55Å; L355-G376 WeakPolarHBondContact O-CA 3.46Å; L355-G377 PolarHBondContact O-N 3.35Å; L355-L459 HydrophobicContact CD1-CB 4.29Å; L355-L459 WeakPolarHBondContact CD1-O 3.33Å; L355-L459 HydrophobicContact CD2-CB 4.42Å; L355-L459 HydrophobicContact CD2-CD1 4.48Å
356	E	93.3	Very high	92.3	Very high	110 Å²	110	62.5 Å²	62.5	51%	0.514	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-28.2	-178.2	-67.1	161.7	167.9	0	0	111.7	S354 I358	S354-E356 PolarHBondContact O-N 3.39Å; S354-E356 PolarHBondContact OG-N 2.88Å; S354-E356 VanDerWaalsContact OG-N 3.12Å; E356-I358 PolarHBondContact O-N 3.14Å
357	D	93.7	Very high	92.5	Very high	82 Å²	82	58.3 Å²	58.3	44%	0.439	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.4	175.2	-53.5	-42.1	0	0	0	113.6	R353 S354	R353-D357 HydrophobicContact CG-CB 3.9Å; R353-D357 WeakPolarHBondContact CG-OD2 3.45Å; S354-D357 WeakPolarHBondContact CA-OD2 3.38Å; S354-D357 VanDerWaalsContact CB-OD2 3.25Å; S354-D357 WeakPolarHBondContact CB-OD2 3.38Å; S354-D357 PolarHBondContact N-OD2 2.94Å
358	I	94.9	Very high	92.6	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.314	C	S	.	.	S	Bend	trans	-128.9	141.8	-175.1	70.8	175.6	0	0	0	112	L344 V345 V348 R353 L355 E356 I360 L365 G377	L344-I358 HydrophobicContact CB-CD1 4.38Å; L344-I358 HydrophobicContact CB-CG2 4.43Å; L344-I358 HydrophobicContact CD1-CG2 4.5Å; V345-I358 HydrophobicContact CG2-CD1 4.35Å; V348-I358 HydrophobicContact CG2-CD1 3.97Å; R353-I358 HydrophobicContact CG-CG2 4.31Å; L355-I358 WeakPolarHBondContact O-CG1 3.29Å; L355-I358 PolarHBondContact O-N 3.1Å; E356-I358 PolarHBondContact O-N 3.14Å; I358-I360 HydrophobicContact CG1-CG2 4.43Å; I358-I360 PolarHBondContact O-N 2.98Å; I358-L365 HydrophobicContact CG2-CD2 3.79Å; I358-G377 CarbonylContact O-C 3.6Å; I358-G377 VanDerWaalsContact O-CA 3.22Å; I358-G377 WeakPolarHBondContact O-CA 3.33Å; I358-G377 PolarHBondContact O-N 3.02Å; I358-G377 VanDerWaalsContact O-N 3.15Å
359	C	95.6	Very high	92.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-69.8	100.1	169.6	-178.9	0	0	0	0	109.3	S361 C362 G363 S364 G377 C379 C382	C359-S361 PolarHBondContact O-N 3.31Å; C359-C362 PolarHBondContact O-N 2.97Å; C359-C362 PolarHBondContact SG-SG 3.32Å; C359-G363 PolarHBondContact O-N 3.16Å; C359-S364 WeakPolarHBondContact CB-O 3.42Å; C359-S364 PolarHBondContact N-O 3.21Å; C359-G377 CarbonylContact C-O 3.02Å; C359-G377 WeakPolarHBondContact CA-O 3.41Å; C359-C379 HydrophobicContact CB-CB 4.06Å; C359-C379 PolarHBondContact SG-N 2.88Å; C359-C379 VanDerWaalsContact SG-SG 3.67Å; C359-C382 VanDerWaalsContact SG-SG 3.65Å
360	I	95.4	Very high	92.8	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.2	-175.5	66.7	168.3	0	0	0	112.4	R341 L355 I358 H371 F374 G377 I404	R341-I360 PolarHBondContact NE-O 3.34Å; R341-I360 PolarHBondContact NH2-O 2.76Å; L355-I360 HydrophobicContact CD2-CG2 4.29Å; I358-I360 HydrophobicContact CG1-CG2 4.43Å; I358-I360 PolarHBondContact O-N 2.98Å; I360-H371 HydrophobicContact CD1-CB 3.8Å; I360-H371 HydrophobicContact CG1-CB 4Å; I360-F374 HydrophobicContact CD1-CB 4.02Å; I360-G377 PolarHBondContact N-O 3.11Å; I360-I404 HydrophobicContact CD1-CG2 4.32Å; I360-I404 HydrophobicContact CG1-CG2 4.44Å
361	S	93.8	Very high	93	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.042	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.2	176.6	-54	0	0	0	0	114.3	C359 I404 C405	C359-S361 PolarHBondContact O-N 3.31Å; S361-I404 WeakPolarHBondContact CB-O 3.49Å; S361-I404 PolarHBondContact OG-O 2.92Å; S361-C405 WeakPolarHBondContact O-CB 3.35Å
362	C	91.9	Very high	93.3	Very high	38 Å²	38	47.1 Å²	47.1	26%	0.257	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.3	-4.7	-171.9	73.5	0	0	0	0	117.4	I336 C359 C382	I336-C362 WeakPolarHBondContact CG2-O 3.44Å; C359-C362 PolarHBondContact O-N 2.97Å; C359-C362 PolarHBondContact SG-SG 3.32Å; C362-C382 PolarHBondContact SG-SG 3.39Å
363	G	91.4	Very high	93.6	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	23%	0.23	C	C	.	.			trans	79.3	9.4	-177.5	0	0	0	0	0	115.5	L344 C359	L344-G363 WeakPolarHBondContact CD1-O 3.4Å; C359-G363 PolarHBondContact O-N 3.16Å
364	S	92.3	Very high	93.9	Very high	18 Å²	18	38.8 Å²	38.8	13%	0.126	22%	0.216	C	C	.	.			trans	-71.6	134.4	172.5	-171.5	0	0	0	0	111.6	C359 N366	C359-S364 WeakPolarHBondContact CB-O 3.42Å; C359-S364 PolarHBondContact N-O 3.21Å; S364-N366 VanDerWaalsContact C-N 3.26Å; S364-N366 PolarHBondContact OG-N 2.81Å
365	L	92	Very high	94	Very high	91 Å²	91	37.8 Å²	37.8	48%	0.476	21%	0.21	S	C	.	.	S	Bend	trans	-77.2	-9.9	171.8	-59.3	-177.1	0	0	0	113.4	L344 I358 V367	L344-L365 HydrophobicContact CD1-CD2 3.74Å; L344-L365 HydrophobicContact CD1-CG 4.33Å; L344-L365 HydrophobicContact CD2-CD2 3.89Å; L344-L365 HydrophobicContact CG-CD2 4.49Å; I358-L365 HydrophobicContact CG2-CD2 3.79Å; L365-V367 PolarHBondContact O-N 3.33Å
366	N	93	Very high	94.2	Very high	127 Å²	127	36.5 Å²	36.5	68%	0.679	20%	0.203	S	C	*	.			trans	-82.2	58.5	179.1	-65.6	-0.7	0	0	0	110.4	S364 C379	S364-N366 VanDerWaalsContact C-N 3.26Å; S364-N366 PolarHBondContact OG-N 2.81Å; N366-C379 WeakPolarHBondContact O-CA 3.46Å; N366-C379 WeakPolarHBondContact O-CB 3.27Å
367	V	94.4	Very high	94.4	Very high	51 Å²	51	31.3 Å²	31.3	31%	0.309	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.4	173.3	176.1	0	0	0	0	109.4	L365 L369	L365-V367 PolarHBondContact O-N 3.33Å; V367-L369 WeakPolarHBondContact CG1-O 3.41Å
368	S	92.1	Very high	94.5	Very high	70 Å²	70	27.4 Å²	27.4	49%	0.49	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-14.7	178.7	62.3	0	0	0	0	113.7	M378 Q380	S368-M378 PolarHBondContact N-O 3.18Å; S368-Q380 PolarHBondContact OG-N 2.94Å
369	L	92.9	Very high	94.4	Very high	50 Å²	50	27.8 Å²	27.8	26%	0.262	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	170.8	169.3	-44.7	95	0	0	0	108.9	V367 M378 K383	V367-L369 WeakPolarHBondContact CG1-O 3.41Å; L369-M378 PolarHBondContact N-O 2.86Å; L369-M378 WeakPolarHBondContact O-CA 3.35Å; L369-M378 PolarHBondContact O-N 3.4Å; L369-K383 HydrophobicContact CD1-CB 3.98Å; L369-K383 HydrophobicContact CD1-CD 3.68Å; L369-K383 HydrophobicContact CD1-CG 4.41Å; L369-K383 HydrophobicContact CD2-CD 3.55Å; L369-K383 HydrophobicContact CG-CD 4.3Å
370	E	95.5	Very high	94.3	Very high	89 Å²	89	30.8 Å²	30.8	42%	0.416	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	155.3	165.6	-75.7	163.4	-109.7	0	0	112.2	R463 H469	E370-R463 IonicContact OE2-CZ 3.83Å; E370-R463 IonicContact OE2-NH1 2.66Å; E370-R463 PolarHBondContact OE2-NH1 2.98Å; E370-R463 IonicContact OE2-NH2 2.67Å; E370-R463 PolarHBondContact OE2-NH2 3.09Å; E370-H469 IonicContact OE2-CE1 2.89Å
371	H	96.3	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.204	C	C	.	.			trans	-74.5	127.6	175.1	-172.8	-90.1	0	0	0	111	I360 L373 F374 G376 M378 I404 R463	I360-H371 HydrophobicContact CD1-CB 3.8Å; I360-H371 HydrophobicContact CG1-CB 4Å; H371-L373 VanDerWaalsContact C-N 3.25Å; H371-L373 PolarHBondContact ND1-N 3.32Å; H371-L373 PolarHBondContact O-N 3.24Å; H371-L373 VanDerWaalsContact O-N 3.08Å; H371-F374 AromaticContact CE1-CD2 3.82Å; H371-F374 AromaticContact ND1-CD2 3.9Å; H371-F374 PolarHBondContact ND1-N 3.49Å; H371-G376 PolarHBondContact N-O 2.88Å; H371-M378 HydrophobicContact CB-CB 4.49Å; H371-I404 PolarHBondContact NE2-O 3.36Å; H371-R463 PolarHBondContact O-NE 3.02Å; H371-R463 VanDerWaalsContact O-NE 3.13Å
372	P	94.8	Very high	93.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-13.8	-166.2	24.7	-34.4	0	0	0	115.8	F386 L470 F473	P372-F386 HydrophobicContact CG-CD1 4.22Å; P372-F386 HydrophobicContact CG-CE1 3.69Å; P372-F386 HydrophobicContact CG-CE2 4.01Å; P372-F386 HydrophobicContact CG-CZ 3.58Å; P372-L470 HydrophobicContact CB-CD1 4.11Å; P372-L470 HydrophobicContact CG-CD1 4.38Å; P372-F473 HydrophobicContact CB-CB 4.14Å; P372-F473 HydrophobicContact CB-CD2 3.85Å; P372-F473 HydrophobicContact CB-CE2 4.37Å; P372-F473 HydrophobicContact CB-CG 4.02Å; P372-F473 HydrophobicContact CG-CD1 4.41Å; P372-F473 HydrophobicContact CG-CD2 3.91Å; P372-F473 HydrophobicContact CG-CE1 4.47Å; P372-F473 HydrophobicContact CG-CE2 3.97Å; P372-F473 HydrophobicContact CG-CG 4.12Å; P372-F473 HydrophobicContact CG-CZ 4.24Å
373	L	95.9	Very high	93.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-17.3	-175.1	-58.5	178.5	0	0	0	114.8	H371 F386 T403 M450 R463 W466 L470	H371-L373 VanDerWaalsContact C-N 3.25Å; H371-L373 PolarHBondContact ND1-N 3.32Å; H371-L373 PolarHBondContact O-N 3.24Å; H371-L373 VanDerWaalsContact O-N 3.08Å; L373-F386 HydrophobicContact CD1-CE2 4.26Å; L373-F386 HydrophobicContact CD1-CZ 4.03Å; L373-F386 HydrophobicContact CG-CZ 4.27Å; L373-T403 HydrophobicContact CD1-CG2 3.4Å; L373-M450 HydrophobicContact CB-CE 4.44Å; L373-M450 HydrophobicContact CB-SD 4.35Å; L373-M450 HydrophobicContact CD2-CE 4.18Å; L373-R463 PolarHBondContact O-N 2.68Å; L373-W466 HydrophobicContact CD2-CD2 4.3Å; L373-W466 HydrophobicContact CD2-CE3 3.51Å; L373-W466 HydrophobicContact CD2-CZ3 4.11Å; L373-L470 HydrophobicContact CD2-CB 4.31Å; L373-L470 HydrophobicContact CD2-CD1 4.05Å; L373-L470 HydrophobicContact CD2-CD2 4.08Å; L373-L470 HydrophobicContact CD2-CG 4.38Å
374	F	97.1	Very high	93.8	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-145.6	157.7	-168.1	-66	-77.3	0	0	0	110.1	I360 H371 I404 F423 F449 M450 L460 E461 R462 R463	I360-F374 HydrophobicContact CD1-CB 4.02Å; H371-F374 AromaticContact CE1-CD2 3.82Å; H371-F374 AromaticContact ND1-CD2 3.9Å; H371-F374 PolarHBondContact ND1-N 3.49Å; F374-I404 HydrophobicContact CD2-CG1 3.98Å; F374-I404 HydrophobicContact CE2-CD1 4.24Å; F374-I404 HydrophobicContact CE2-CG1 3.68Å; F374-I404 HydrophobicContact CZ-CG1 4.46Å; F374-F423 AromaticContact CE2-CE1 4Å; F374-F423 HydrophobicContact CE2-CE1 4Å; F374-F423 HydrophobicContact CE2-CZ 4.44Å; F374-F423 AromaticContact CZ-CE1 3.78Å; F374-F423 HydrophobicContact CZ-CE1 3.78Å; F374-F423 HydrophobicContact CZ-CZ 4.07Å; F374-F449 HydrophobicContact CE1-CB 4.22Å; F374-F449 HydrophobicContact CZ-CB 4.4Å; F374-M450 HydrophobicContact CE1-SD 3.93Å; F374-M450 HydrophobicContact CE2-SD 4.02Å; F374-M450 HydrophobicContact CZ-CG 4.07Å; F374-M450 HydrophobicContact CZ-SD 3.49Å; F374-M450 WeakPolarHBondContact CZ-SD 3.31Å; F374-L460 HydrophobicContact CB-CD1 4.09Å; F374-L460 HydrophobicContact CD1-CD1 3.49Å; F374-L460 VanDerWaalsContact CD1-CD1 3.49Å; F374-L460 HydrophobicContact CD1-CD2 4.38Å; F374-L460 HydrophobicContact CD1-CG 3.73Å; F374-L460 HydrophobicContact CD2-CD1 4.18Å; F374-L460 HydrophobicContact CE1-CD1 3.91Å; F374-L460 HydrophobicContact CE1-CD2 3.97Å; F374-L460 HydrophobicContact CE1-CG 3.82Å; F374-L460 HydrophobicContact CG-CD1 3.66Å; F374-L460 HydrophobicContact CG-CG 4.42Å; F374-L460 HydrophobicContact CZ-CD1 4.42Å; F374-L460 HydrophobicContact CZ-CD2 4.34Å; F374-E461 CarbonylContact C-O 3.48Å; F374-E461 WeakPolarHBondContact CA-O 2.91Å; F374-E461 WeakPolarHBondContact CB-O 3.47Å; F374-E461 WeakPolarHBondContact CD1-O 3.4Å; F374-R462 HydrophobicContact CD1-CB 4.27Å; F374-R462 HydrophobicContact CE1-CB 4.19Å; F374-R463 PolarHBondContact O-NE 2.89Å
375	A	96.3	Very high	93.8	Very high	23 Å²	23	39 Å²	39	19%	0.19	22%	0.224	C	C	.	.	S	Bend	trans	-63.2	143.1	172.3	0	0	0	0	0	111	E461	A375-E461 HydrophobicContact CB-CB 4.04Å; A375-E461 HydrophobicContact CB-CG 4.4Å; A375-E461 PolarHBondContact N-O 2.87Å
376	G	95.8	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	110.6	170.9	-178.3	0	0	0	0	0	115.5	L355 H371	L355-G376 CarbonylContact O-C 3.55Å; L355-G376 WeakPolarHBondContact O-CA 3.46Å; H371-G376 PolarHBondContact N-O 2.88Å
377	G	96.4	Very high	93.7	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	167.7	-169.1	0	0	0	0	0	114.9	L355 I358 C359 I360	L355-G377 PolarHBondContact O-N 3.35Å; I358-G377 CarbonylContact O-C 3.6Å; I358-G377 VanDerWaalsContact O-CA 3.22Å; I358-G377 WeakPolarHBondContact O-CA 3.33Å; I358-G377 PolarHBondContact O-N 3.02Å; I358-G377 VanDerWaalsContact O-N 3.15Å; C359-G377 CarbonylContact C-O 3.02Å; C359-G377 WeakPolarHBondContact CA-O 3.41Å; I360-G377 PolarHBondContact N-O 3.11Å
378	M	96.3	Very high	93.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	133	175.1	-161.5	-178.9	-141.4	0	0	110.9	S368 L369 H371 C382 K383 F386 F473	S368-M378 PolarHBondContact N-O 3.18Å; L369-M378 PolarHBondContact N-O 2.86Å; L369-M378 WeakPolarHBondContact O-CA 3.35Å; L369-M378 PolarHBondContact O-N 3.4Å; H371-M378 HydrophobicContact CB-CB 4.49Å; M378-C382 HydrophobicContact CE-CB 4.07Å; M378-C382 HydrophobicContact CG-CB 3.86Å; M378-K383 HydrophobicContact SD-CB 4.32Å; M378-F386 HydrophobicContact CE-CB 3.71Å; M378-F386 HydrophobicContact CE-CD2 3.81Å; M378-F386 HydrophobicContact CE-CG 3.97Å; M378-F473 HydrophobicContact CE-CZ 4.41Å; M378-F473 HydrophobicContact SD-CE2 3.83Å; M378-F473 HydrophobicContact SD-CZ 3.57Å; M378-F473 VanDerWaalsContact SD-CZ 3.57Å
379	C	94.2	Very high	93.4	Very high	9 Å²	9	25.8 Å²	25.8	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	154.6	173.4	74.2	0	0	0	0	111.6	C359 N366 S381 C382 K383	C359-C379 HydrophobicContact CB-CB 4.06Å; C359-C379 PolarHBondContact SG-N 2.88Å; C359-C379 VanDerWaalsContact SG-SG 3.67Å; N366-C379 WeakPolarHBondContact O-CA 3.46Å; N366-C379 WeakPolarHBondContact O-CB 3.27Å; C379-S381 PolarHBondContact O-N 3.34Å; C379-S381 VanDerWaalsContact O-N 3.09Å; C379-C382 PolarHBondContact O-N 3.26Å; C379-K383 PolarHBondContact O-N 2.92Å
380	Q	91.6	Very high	93.3	Very high	64 Å²	64	23.8 Å²	23.8	30%	0.299	14%	0.137	S	C	.	.	H	α-helix	trans	-53.7	-33	-179.1	-178.8	64.4	89.3	0	0	114	S368 K383 N384	S368-Q380 PolarHBondContact OG-N 2.94Å; Q380-K383 PolarHBondContact O-N 2.9Å; Q380-N384 PolarHBondContact NE2-OD1 3.09Å; Q380-N384 VanDerWaalsContact O-CG 3.28Å; Q380-N384 PolarHBondContact O-N 3.15Å; Q380-N384 VanDerWaalsContact O-N 3.09Å; Q380-N384 PolarHBondContact O-OD1 3.08Å; Q380-N384 VanDerWaalsContact O-OD1 3.09Å
381	S	89.3	Confident	93.2	Very high	90 Å²	90	20 Å²	20	63%	0.629	12%	0.119	S	C	*	.	H	α-helix	trans	-65.3	-44.7	176	-171	0	0	0	0	111.7	C379 N384 C385	C379-S381 PolarHBondContact O-N 3.34Å; C379-S381 VanDerWaalsContact O-N 3.09Å; S381-N384 PolarHBondContact O-N 3.31Å; S381-C385 PolarHBondContact O-N 3.34Å; S381-C385 VanDerWaalsContact O-N 3.08Å
382	C	92.1	Very high	92.9	Very high	16 Å²	16	20.6 Å²	20.6	11%	0.108	12%	0.122	C	C	.	.	H	α-helix	trans	-68	-33.9	174.8	-70.2	0	0	0	0	112.2	C359 C362 M378 C379 N384 C385 F386	C359-C382 VanDerWaalsContact SG-SG 3.65Å; C362-C382 PolarHBondContact SG-SG 3.39Å; M378-C382 HydrophobicContact CE-CB 4.07Å; M378-C382 HydrophobicContact CG-CB 3.86Å; C379-C382 PolarHBondContact O-N 3.26Å; C382-N384 PolarHBondContact O-N 2.95Å; C382-C385 PolarHBondContact O-N 2.8Å; C382-F386 WeakPolarHBondContact O-CB 3.42Å; C382-F386 PolarHBondContact O-N 3.41Å
383	K	92.4	Very high	92.7	Very high	26 Å²	26	21.6 Å²	21.6	11%	0.113	13%	0.125	C	C	.	.	H	α-helix	trans	-58.1	-46.6	169.8	167.3	156.6	-175.1	167.4	0	111.8	L369 M378 C379 Q380 C385 F386 L387 F473	L369-K383 HydrophobicContact CD1-CB 3.98Å; L369-K383 HydrophobicContact CD1-CD 3.68Å; L369-K383 HydrophobicContact CD1-CG 4.41Å; L369-K383 HydrophobicContact CD2-CD 3.55Å; L369-K383 HydrophobicContact CG-CD 4.3Å; M378-K383 HydrophobicContact SD-CB 4.32Å; C379-K383 PolarHBondContact O-N 2.92Å; Q380-K383 PolarHBondContact O-N 2.9Å; K383-C385 PolarHBondContact O-N 3.39Å; K383-F386 PolarHBondContact O-N 2.9Å; K383-L387 HydrophobicContact CG-CD1 4.11Å; K383-L387 HydrophobicContact CG-CG 4.4Å; K383-L387 WeakPolarHBondContact O-CG 3.38Å; K383-L387 PolarHBondContact O-N 3.2Å; K383-F473 HydrophobicContact CB-CE1 4.4Å; K383-F473 HydrophobicContact CB-CE2 4.45Å; K383-F473 HydrophobicContact CB-CZ 3.69Å; K383-F473 HydrophobicContact CD-CE1 4.1Å; K383-F473 HydrophobicContact CD-CE2 3.95Å; K383-F473 HydrophobicContact CD-CZ 3.67Å; K383-F473 HydrophobicContact CG-CE1 3.8Å; K383-F473 HydrophobicContact CG-CE2 4.24Å; K383-F473 HydrophobicContact CG-CZ 3.47Å; K383-F473 VanDerWaalsContact CG-CZ 3.47Å
384	N	89.9	Confident	92.3	Very high	72 Å²	72	23.7 Å²	23.7	39%	0.385	14%	0.137	S	C	.	.	H	α-helix	trans	-61.5	-46.4	179.6	-64	2.6	0	0	0	111.2	Q380 S381 C382 F386 L387 E388	Q380-N384 PolarHBondContact NE2-OD1 3.09Å; Q380-N384 VanDerWaalsContact O-CG 3.28Å; Q380-N384 PolarHBondContact O-N 3.15Å; Q380-N384 VanDerWaalsContact O-N 3.09Å; Q380-N384 PolarHBondContact O-OD1 3.08Å; Q380-N384 VanDerWaalsContact O-OD1 3.09Å; S381-N384 PolarHBondContact O-N 3.31Å; C382-N384 PolarHBondContact O-N 2.95Å; N384-F386 VanDerWaalsContact C-N 3.32Å; N384-F386 PolarHBondContact O-N 3.48Å; N384-L387 PolarHBondContact O-N 2.92Å; N384-E388 WeakPolarHBondContact O-CG 3.2Å; N384-E388 PolarHBondContact O-N 3.03Å
385	C	90.4	Very high	91.7	Very high	38 Å²	38	31.4 Å²	31.4	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-57.8	-42.2	174.1	-169.7	0	0	0	0	112	S381 C382 K383 E388 C389 C406	S381-C385 PolarHBondContact O-N 3.34Å; S381-C385 VanDerWaalsContact O-N 3.08Å; C382-C385 PolarHBondContact O-N 2.8Å; K383-C385 PolarHBondContact O-N 3.39Å; C385-E388 PolarHBondContact O-N 2.88Å; C385-C389 WeakPolarHBondContact O-CB 3.49Å; C385-C389 PolarHBondContact O-N 2.75Å; C385-C389 PolarHBondContact O-SG 3.08Å; C385-C406 VanDerWaalsContact SG-CB 3.59Å
386	F	92.7	Very high	91.2	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-41.2	-179.8	-167.5	-81.9	0	0	0	112.7	P372 L373 M378 C382 K383 N384 E388 C389 A390 C406 L470 F473 F474	P372-F386 HydrophobicContact CG-CD1 4.22Å; P372-F386 HydrophobicContact CG-CE1 3.69Å; P372-F386 HydrophobicContact CG-CE2 4.01Å; P372-F386 HydrophobicContact CG-CZ 3.58Å; L373-F386 HydrophobicContact CD1-CE2 4.26Å; L373-F386 HydrophobicContact CD1-CZ 4.03Å; L373-F386 HydrophobicContact CG-CZ 4.27Å; M378-F386 HydrophobicContact CE-CB 3.71Å; M378-F386 HydrophobicContact CE-CD2 3.81Å; M378-F386 HydrophobicContact CE-CG 3.97Å; C382-F386 WeakPolarHBondContact O-CB 3.42Å; C382-F386 PolarHBondContact O-N 3.41Å; K383-F386 PolarHBondContact O-N 2.9Å; N384-F386 VanDerWaalsContact C-N 3.32Å; N384-F386 PolarHBondContact O-N 3.48Å; F386-E388 VanDerWaalsContact C-N 3.29Å; F386-E388 PolarHBondContact O-N 3.48Å; F386-C389 PolarHBondContact O-N 3.33Å; F386-A390 HydrophobicContact CD1-CB 3.83Å; F386-A390 HydrophobicContact CD2-CB 4.4Å; F386-A390 HydrophobicContact CE1-CB 3.67Å; F386-A390 HydrophobicContact CE2-CB 4.26Å; F386-A390 HydrophobicContact CG-CB 4.2Å; F386-A390 HydrophobicContact CZ-CB 3.9Å; F386-A390 WeakPolarHBondContact O-CB 3.27Å; F386-A390 PolarHBondContact O-N 3.1Å; F386-C406 VanDerWaalsContact CD2-SG 3.5Å; F386-L470 HydrophobicContact CE1-CD1 3.64Å; F386-L470 HydrophobicContact CZ-CD1 3.88Å; F386-F473 HydrophobicContact CB-CE1 4.17Å; F386-F473 HydrophobicContact CB-CZ 4.46Å; F386-F473 HydrophobicContact CD1-CD1 4Å; F386-F473 AromaticContact CD1-CE1 3.59Å; F386-F473 HydrophobicContact CD1-CE1 3.59Å; F386-F473 HydrophobicContact CD1-CZ 4.32Å; F386-F473 HydrophobicContact CE1-CD1 4.37Å; F386-F473 HydrophobicContact CE1-CE1 4.34Å; F386-F473 HydrophobicContact CG-CE1 4.16Å; F386-F474 HydrophobicContact CD1-CE2 4.32Å; F386-F474 HydrophobicContact CD1-CZ 4.27Å; F386-F474 AromaticContact CE1-CE2 3.97Å; F386-F474 HydrophobicContact CE1-CE2 3.97Å; F386-F474 HydrophobicContact CE1-CZ 4.28Å
387	L	91.2	Very high	90.8	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.115	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-35.9	176.3	-67.3	172.8	0	0	0	112.4	K383 N384 F473 F474	K383-L387 HydrophobicContact CG-CD1 4.11Å; K383-L387 HydrophobicContact CG-CG 4.4Å; K383-L387 WeakPolarHBondContact O-CG 3.38Å; K383-L387 PolarHBondContact O-N 3.2Å; N384-L387 PolarHBondContact O-N 2.92Å; L387-F473 HydrophobicContact CD2-CD1 3.85Å; L387-F473 HydrophobicContact CD2-CE1 3.95Å; L387-F473 HydrophobicContact CG-CE1 4.13Å; L387-F474 HydrophobicContact CB-CE1 4.4Å; L387-F474 HydrophobicContact CD2-CD1 3.5Å; L387-F474 HydrophobicContact CD2-CE1 3.49Å; L387-F474 VanDerWaalsContact CD2-CE1 3.49Å; L387-F474 HydrophobicContact CD2-CG 4.12Å; L387-F474 HydrophobicContact CD2-CZ 4.08Å
388	E	88.8	Confident	90.5	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	21%	0.206	C	C	.	.	H	α-helix	trans	-73.5	-46.9	176.4	-70.9	161.5	-167.2	0	0	112	R49 N384 C385 F386 Q392 R668 P669	R49-E388 IonicContact CZ-OE1 3.28Å; R49-E388 VanDerWaalsContact CZ-OE1 3.25Å; R49-E388 IonicContact CZ-OE2 2.74Å; R49-E388 IonicContact NH1-OE1 3.73Å; R49-E388 PolarHBondContact NH1-OE1 3.17Å; R49-E388 IonicContact NH1-OE2 3.86Å; R49-E388 PolarHBondContact NH1-OE2 2.88Å; R49-E388 IonicContact NH2-OE1 2.79Å; R49-E388 PolarHBondContact NH2-OE1 2.69Å; R49-E388 IonicContact NH2-OE2 3.78Å; N384-E388 WeakPolarHBondContact O-CG 3.2Å; N384-E388 PolarHBondContact O-N 3.03Å; C385-E388 PolarHBondContact O-N 2.88Å; F386-E388 VanDerWaalsContact C-N 3.29Å; F386-E388 PolarHBondContact O-N 3.48Å; E388-Q392 PolarHBondContact O-NE2 2.98Å; E388-R668 PolarHBondContact O-NH1 3.29Å; E388-P669 HydrophobicContact CG-CB 3.85Å; E388-P669 HydrophobicContact CG-CG 4Å
389	C	90.4	Very high	90.3	Very high	15 Å²	15	37.7 Å²	37.7	10%	0.101	21%	0.207	C	C	.	.	H	α-helix	trans	-102	-23.1	-161.9	-68.9	0	0	0	0	116.1	C385 F386 Y391 Q392 Y401 C406	C385-C389 WeakPolarHBondContact O-CB 3.49Å; C385-C389 PolarHBondContact O-N 2.75Å; C385-C389 PolarHBondContact O-SG 3.08Å; F386-C389 PolarHBondContact O-N 3.33Å; C389-Y391 PolarHBondContact O-N 2.68Å; C389-Q392 PolarHBondContact O-N 3.27Å; C389-Q392 VanDerWaalsContact O-N 3.14Å; C389-Y401 HydrophobicContact CB-CD2 3.63Å; C389-Y401 HydrophobicContact CB-CE2 4.03Å; C389-C406 HydrophobicContact CB-CB 3.75Å
390	A	91.8	Very high	90	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.3	-171.7	0	0	0	0	0	114.2	F386 Q399 F474	F386-A390 HydrophobicContact CD1-CB 3.83Å; F386-A390 HydrophobicContact CD2-CB 4.4Å; F386-A390 HydrophobicContact CE1-CB 3.67Å; F386-A390 HydrophobicContact CE2-CB 4.26Å; F386-A390 HydrophobicContact CG-CB 4.2Å; F386-A390 HydrophobicContact CZ-CB 3.9Å; F386-A390 WeakPolarHBondContact O-CB 3.27Å; F386-A390 PolarHBondContact O-N 3.1Å; A390-Q399 PolarHBondContact O-NE2 3.25Å; A390-F474 HydrophobicContact CB-CZ 4.37Å
391	Y	93.4	Very high	90	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.035	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	43.7	172.9	-52.8	-61.3	0	0	0	111.4	C389 F474 R668 A768 P769	C389-Y391 PolarHBondContact O-N 2.68Å; Y391-F474 HydrophobicContact CD2-CE1 4.05Å; Y391-F474 HydrophobicContact CD2-CE2 4.29Å; Y391-F474 AromaticContact CD2-CZ 3.76Å; Y391-F474 HydrophobicContact CD2-CZ 3.76Å; Y391-F474 HydrophobicContact CE2-CD1 4.3Å; Y391-F474 AromaticContact CE2-CD2 3.96Å; Y391-F474 HydrophobicContact CE2-CD2 3.96Å; Y391-F474 AromaticContact CE2-CE1 3.8Å; Y391-F474 HydrophobicContact CE2-CE1 3.8Å; Y391-F474 AromaticContact CE2-CE2 3.42Å; Y391-F474 HydrophobicContact CE2-CE2 3.42Å; Y391-F474 VanDerWaalsContact CE2-CE2 3.42Å; Y391-F474 HydrophobicContact CE2-CG 4.38Å; Y391-F474 AromaticContact CE2-CZ 3.34Å; Y391-F474 HydrophobicContact CE2-CZ 3.34Å; Y391-F474 AromaticContact CZ-CE2 3.93Å; Y391-R668 PolarHBondContact O-NH2 3.23Å; Y391-R668 VanDerWaalsContact O-NH2 3.1Å; Y391-A768 WeakPolarHBondContact O-CB 3.45Å; Y391-P769 HydrophobicContact CD1-CB 4.17Å; Y391-P769 HydrophobicContact CD1-CG 4.39Å; Y391-P769 HydrophobicContact CD2-CB 4.15Å; Y391-P769 HydrophobicContact CD2-CG 3.77Å; Y391-P769 HydrophobicContact CE1-CB 4.13Å; Y391-P769 HydrophobicContact CE2-CB 4.1Å; Y391-P769 HydrophobicContact CE2-CG 4.12Å; Y391-P769 HydrophobicContact CG-CB 4.18Å; Y391-P769 HydrophobicContact CG-CG 3.91Å
392	Q	90.4	Very high	90.3	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	17%	0.169	C	C	.	.			trans	-104.1	136.1	160	-68.9	-177.3	37.8	0	0	108.5	E388 C389 Q399 S400 Y401 M673	E388-Q392 PolarHBondContact O-NE2 2.98Å; C389-Q392 PolarHBondContact O-N 3.27Å; C389-Q392 VanDerWaalsContact O-N 3.14Å; Q392-Q399 CarbonylContact O-C 3.44Å; Q392-Q399 WeakPolarHBondContact O-CA 3.4Å; Q392-S400 VanDerWaalsContact C-OG 3.27Å; Q392-S400 PolarHBondContact O-N 3.13Å; Q392-S400 PolarHBondContact O-OG 3.28Å; Q392-Y401 HydrophobicContact CB-CE2 4.29Å; Q392-M673 HydrophobicContact CB-CE 3.95Å; Q392-M673 HydrophobicContact CB-SD 4.49Å
393	Y	90.3	Very high	90.5	Very high	21 Å²	21	31.6 Å²	31.6	8%	0.082	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-135.4	136.6	-177.9	-59.4	-90.1	0	0	0	108.8	G397 Y398 Q399 S400 C420 M673 A768 K771	Y393-G397 WeakPolarHBondContact CD1-O 3.44Å; Y393-Y398 WeakPolarHBondContact CA-O 3.31Å; Y393-Q399 HydrophobicContact CD1-CG 4.05Å; Y393-Q399 HydrophobicContact CE1-CB 4.5Å; Y393-Q399 HydrophobicContact CE1-CG 3.57Å; Y393-S400 PolarHBondContact N-OG 3Å; Y393-C420 HydrophobicContact CD1-CB 4.17Å; Y393-C420 HydrophobicContact CE1-CB 3.86Å; Y393-M673 VanDerWaalsContact O-CE 3.23Å; Y393-M673 WeakPolarHBondContact O-CE 3.45Å; Y393-A768 HydrophobicContact CD2-CB 4.04Å; Y393-A768 HydrophobicContact CE2-CB 3.94Å; Y393-A768 WeakPolarHBondContact CE2-O 3.32Å; Y393-K771 HydrophobicContact CD1-CD 3.96Å; Y393-K771 HydrophobicContact CD2-CD 4.1Å; Y393-K771 HydrophobicContact CE1-CB 4.43Å; Y393-K771 HydrophobicContact CE1-CD 3.9Å; Y393-K771 HydrophobicContact CE2-CB 4.49Å; Y393-K771 HydrophobicContact CE2-CD 4.04Å; Y393-K771 HydrophobicContact CE2-CG 4.41Å; Y393-K771 HydrophobicContact CG-CD 4.08Å
394	D	87.4	Confident	90.7	Very high	46 Å²	46	30.4 Å²	30.4	25%	0.246	16%	0.16	C	C	.	.			trans	-85.1	177.1	177.2	-72.5	16.5	0	0	0	110.9	R55 D396 G397 Y398 S400	R55-D394 WeakPolarHBondContact CD-OD2 3.28Å; R55-D394 IonicContact CZ-OD2 3.85Å; R55-D394 VanDerWaalsContact CZ-OD2 3.23Å; R55-D394 IonicContact NE-OD2 3.65Å; R55-D394 PolarHBondContact NE-OD2 3.22Å; R55-D394 IonicContact NH2-OD2 3.66Å; D394-D396 PolarHBondContact O-N 2.84Å; D394-D396 VanDerWaalsContact O-N 3.1Å; D394-G397 WeakPolarHBondContact O-CA 3.33Å; D394-G397 PolarHBondContact O-N 3.4Å; D394-Y398 PolarHBondContact N-O 3.3Å; D394-S400 WeakPolarHBondContact OD1-CA 3.28Å; D394-S400 WeakPolarHBondContact OD1-CB 3.46Å; D394-S400 PolarHBondContact OD1-OG 3.03Å
395	D	84.3	Confident	90.9	Very high	163 Å²	163	28 Å²	28	87%	0.872	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.5	-178.1	-55.8	-31.8	0	0	0	114.2	G397	D395-G397 VanDerWaalsContact C-N 3.26Å
396	D	85.4	Confident	90.9	Very high	73 Å²	73	26.8 Å²	26.8	39%	0.39	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.3	170.9	57.9	39.6	0	0	0	113.6	R55 D394 Y398	R55-D396 IonicContact CZ-OD2 3.17Å; R55-D396 IonicContact NH2-OD1 3.55Å; R55-D396 PolarHBondContact NH2-OD1 3.23Å; R55-D396 IonicContact NH2-OD2 2.78Å; R55-D396 PolarHBondContact NH2-OD2 3.14Å; D394-D396 PolarHBondContact O-N 2.84Å; D394-D396 VanDerWaalsContact O-N 3.1Å; D396-Y398 VanDerWaalsContact C-N 3.27Å; D396-Y398 WeakPolarHBondContact O-CD2 3.4Å; D396-Y398 PolarHBondContact O-N 3.49Å; D396-Y398 WeakPolarHBondContact OD1-CB 3.3Å; D396-Y398 PolarHBondContact OD1-N 2.94Å
397	G	87.6	Confident	90.6	Very high	14 Å²	14	27.7 Å²	27.7	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	82.1	-9	178.9	0	0	0	0	0	114.9	Y393 D394 D395 C420 K771	Y393-G397 WeakPolarHBondContact CD1-O 3.44Å; D394-G397 WeakPolarHBondContact O-CA 3.33Å; D394-G397 PolarHBondContact O-N 3.4Å; D395-G397 VanDerWaalsContact C-N 3.26Å; G397-C420 WeakPolarHBondContact O-CB 3.33Å; G397-K771 PolarHBondContact O-NZ 3.3Å
398	Y	90.9	Very high	89.8	Confident	63 Å²	63	28 Å²	28	25%	0.247	16%	0.16	C	C	.	.	S	Bend	trans	-86.8	153.1	179.4	-73.7	-96.8	0	0	0	112.3	Y393 D394 D396 S400 M413 C414 C419	Y393-Y398 WeakPolarHBondContact CA-O 3.31Å; D394-Y398 PolarHBondContact N-O 3.3Å; D396-Y398 VanDerWaalsContact C-N 3.27Å; D396-Y398 WeakPolarHBondContact O-CD2 3.4Å; D396-Y398 PolarHBondContact O-N 3.49Å; D396-Y398 WeakPolarHBondContact OD1-CB 3.3Å; D396-Y398 PolarHBondContact OD1-N 2.94Å; Y398-S400 PolarHBondContact O-N 3.49Å; Y398-M413 HydrophobicContact CD1-CB 3.91Å; Y398-M413 HydrophobicContact CD1-CG 4.23Å; Y398-M413 HydrophobicContact CD1-SD 4.49Å; Y398-M413 HydrophobicContact CD2-SD 3.92Å; Y398-M413 HydrophobicContact CE1-CB 3.92Å; Y398-M413 HydrophobicContact CE2-SD 4.41Å; Y398-M413 HydrophobicContact CG-CB 4.37Å; Y398-M413 HydrophobicContact CG-CG 4.25Å; Y398-M413 HydrophobicContact CG-SD 3.99Å; Y398-C414 WeakPolarHBondContact CE1-O 3.47Å; Y398-C414 PolarHBondContact OH-O 3.15Å; Y398-C419 VanDerWaalsContact CE1-O 3.28Å; Y398-C419 WeakPolarHBondContact CE1-O 3.41Å
399	Q	91.7	Very high	89.2	Confident	6 Å²	6	33.5 Å²	33.5	3%	0.028	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-51.1	127.8	175.8	-84.9	-178.6	-30.7	0	0	110.1	R55 A390 Q392 Y393 Y401 T403 C420 C422	R55-Q399 PolarHBondContact NH1-O 3.34Å; A390-Q399 PolarHBondContact O-NE2 3.25Å; Q392-Q399 CarbonylContact O-C 3.44Å; Q392-Q399 WeakPolarHBondContact O-CA 3.4Å; Y393-Q399 HydrophobicContact CD1-CG 4.05Å; Y393-Q399 HydrophobicContact CE1-CB 4.5Å; Y393-Q399 HydrophobicContact CE1-CG 3.57Å; Q399-Y401 PolarHBondContact O-N 3.45Å; Q399-Y401 VanDerWaalsContact O-N 3.12Å; Q399-T403 PolarHBondContact OE1-OG1 2.86Å; Q399-C420 WeakPolarHBondContact CB-O 3.37Å; Q399-C420 WeakPolarHBondContact CG-O 3.44Å; Q399-C420 PolarHBondContact N-O 3.11Å; Q399-C422 HydrophobicContact CB-CB 4.43Å; Q399-C422 PolarHBondContact O-SG 3.08Å
400	S	88.8	Confident	88.9	Confident	3 Å²	3	35 Å²	35	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	-54.4	-35.1	-176.8	-57.9	0	0	0	0	112.5	R55 Q392 Y393 D394 Y398 M673	R55-S400 WeakPolarHBondContact CD-O 3.09Å; R55-S400 PolarHBondContact NH1-O 3.27Å; Q392-S400 VanDerWaalsContact C-OG 3.27Å; Q392-S400 PolarHBondContact O-N 3.13Å; Q392-S400 PolarHBondContact O-OG 3.28Å; Y393-S400 PolarHBondContact N-OG 3Å; D394-S400 WeakPolarHBondContact OD1-CA 3.28Å; D394-S400 WeakPolarHBondContact OD1-CB 3.46Å; D394-S400 PolarHBondContact OD1-OG 3.03Å; Y398-S400 PolarHBondContact O-N 3.49Å; S400-M673 WeakPolarHBondContact OG-CE 3.19Å
401	Y	91.4	Very high	88.9	Confident	44 Å²	44	34.6 Å²	34.6	17%	0.173	18%	0.182	C	C	.	.	S	Bend	trans	-128.4	168.5	-172.6	-47.7	-73.4	0	0	0	113	P52 C389 Q392 Q399 T403	P52-Y401 HydrophobicContact CB-CE1 3.72Å; P52-Y401 HydrophobicContact CG-CE1 4.37Å; C389-Y401 HydrophobicContact CB-CD2 3.63Å; C389-Y401 HydrophobicContact CB-CE2 4.03Å; Q392-Y401 HydrophobicContact CB-CE2 4.29Å; Q399-Y401 PolarHBondContact O-N 3.45Å; Q399-Y401 VanDerWaalsContact O-N 3.12Å; Y401-T403 PolarHBondContact O-N 2.89Å
402	C	95.4	Very high	88.8	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.182	C	C	.	.			trans	-59	130.3	175.2	177.8	0	0	0	0	112.8	I404 C405 C406 G407 C422 C424	C402-I404 PolarHBondContact O-N 2.87Å; C402-I404 VanDerWaalsContact O-N 3.07Å; C402-I404 PolarHBondContact SG-N 3.28Å; C402-I404 VanDerWaalsContact SG-N 3.44Å; C402-C405 VanDerWaalsContact CB-SG 3.56Å; C402-C405 PolarHBondContact O-N 3.31Å; C402-C406 VanDerWaalsContact O-CA 3.31Å; C402-C406 WeakPolarHBondContact O-CA 3.4Å; C402-C406 PolarHBondContact O-N 3.46Å; C402-G407 WeakPolarHBondContact CB-O 3.18Å; C402-G407 PolarHBondContact N-O 3.14Å; C402-C422 CarbonylContact C-O 3.57Å; C402-C422 WeakPolarHBondContact CA-O 3.38Å; C402-C424 HydrophobicContact CB-CB 3.89Å; C402-C424 PolarHBondContact SG-N 3.2Å; C402-C424 VanDerWaalsContact SG-SG 3.67Å
403	T	96.5	Very high	88.9	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.025	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.1	176.8	-54.2	0	0	0	0	114.4	L373 Q399 Y401 C422 F423	L373-T403 HydrophobicContact CD1-CG2 3.4Å; Q399-T403 PolarHBondContact OE1-OG1 2.86Å; Y401-T403 PolarHBondContact O-N 2.89Å; T403-C422 PolarHBondContact N-O 3.01Å; T403-C422 PolarHBondContact OG1-N 3.47Å; T403-C422 PolarHBondContact OG1-O 3.48Å; T403-F423 HydrophobicContact CG2-CE1 4.33Å; T403-F423 HydrophobicContact CG2-CZ 3.94Å
404	I	95.9	Very high	89	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-41	-178.9	-58.9	172.3	0	0	0	113	I360 S361 H371 F374 C402 F423 C427 L431 L460	I360-I404 HydrophobicContact CD1-CG2 4.32Å; I360-I404 HydrophobicContact CG1-CG2 4.44Å; S361-I404 WeakPolarHBondContact CB-O 3.49Å; S361-I404 PolarHBondContact OG-O 2.92Å; H371-I404 PolarHBondContact NE2-O 3.36Å; F374-I404 HydrophobicContact CD2-CG1 3.98Å; F374-I404 HydrophobicContact CE2-CD1 4.24Å; F374-I404 HydrophobicContact CE2-CG1 3.68Å; F374-I404 HydrophobicContact CZ-CG1 4.46Å; C402-I404 PolarHBondContact O-N 2.87Å; C402-I404 VanDerWaalsContact O-N 3.07Å; C402-I404 PolarHBondContact SG-N 3.28Å; C402-I404 VanDerWaalsContact SG-N 3.44Å; I404-F423 HydrophobicContact CD1-CD1 3.67Å; I404-F423 HydrophobicContact CD1-CE1 3.78Å; I404-F423 HydrophobicContact CG1-CD1 3.94Å; I404-F423 HydrophobicContact CG1-CE1 3.76Å; I404-C427 HydrophobicContact CD1-CB 4.18Å; I404-L431 HydrophobicContact CD1-CD1 4.25Å; I404-L431 HydrophobicContact CG2-CD1 4.01Å; I404-L460 HydrophobicContact CD1-CD1 3.79Å; I404-L460 HydrophobicContact CD1-CD2 3.88Å
405	C	93.3	Very high	89.1	Confident	22 Å²	22	34 Å²	34	15%	0.149	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-6.5	-174.2	68	0	0	0	0	114.9	S361 C402 G407 C427	S361-C405 WeakPolarHBondContact O-CB 3.35Å; C402-C405 VanDerWaalsContact CB-SG 3.56Å; C402-C405 PolarHBondContact O-N 3.31Å; C405-G407 PolarHBondContact O-N 3.07Å; C405-G407 VanDerWaalsContact O-N 3.16Å; C405-C427 VanDerWaalsContact SG-SG 3.66Å
406	C	91.7	Very high	89.4	Confident	11 Å²	11	27.6 Å²	27.6	7%	0.074	16%	0.155	C	C	.	.	S	Bend	trans	52.1	31.4	-173.5	-68.5	0	0	0	0	113.9	C385 F386 C389 C402	C385-C406 VanDerWaalsContact SG-CB 3.59Å; F386-C406 VanDerWaalsContact CD2-SG 3.5Å; C389-C406 HydrophobicContact CB-CB 3.75Å; C402-C406 VanDerWaalsContact O-CA 3.31Å; C402-C406 WeakPolarHBondContact O-CA 3.4Å; C402-C406 PolarHBondContact O-N 3.46Å
407	G	85.9	Confident	89.5	Confident	23 Å²	23	30.5 Å²	30.5	24%	0.237	17%	0.171	C	C	.	.			trans	-152.2	-136.4	171.7	0	0	0	0	0	110	C402 C405	C402-G407 WeakPolarHBondContact CB-O 3.18Å; C402-G407 PolarHBondContact N-O 3.14Å; C405-G407 PolarHBondContact O-N 3.07Å; C405-G407 VanDerWaalsContact O-N 3.16Å
408	G	74.4	Confident	89.6	Confident	29 Å²	29	31.3 Å²	31.3	30%	0.299	17%	0.172	S	C	.	.			trans	82.8	143.3	-174.8	0	0	0	0	0	112.4
409	R	75.4	Confident	89.6	Confident	135 Å²	135	28.4 Å²	28.4	51%	0.509	16%	0.161	S	C	.	.	S	Bend	trans	-97	-33	-172.9	-170.7	179.9	-176.4	168.9	0.8	114	M53 R55 I56	M53-R409 HydrophobicContact CE-CB 4.3Å; M53-R409 HydrophobicContact CE-CG 4.44Å; R55-R409 CarbonylContact C-O 3.49Å; R55-R409 WeakPolarHBondContact CA-O 3.44Å; I56-R409 PolarHBondContact N-O 3.49Å
410	E	84.6	Confident	89.7	Confident	46 Å²	46	28.7 Å²	28.7	22%	0.215	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.6	-178.4	-69	176.8	-166.7	0	0	106.7	I56 F58 C424 V425	I56-E410 HydrophobicContact CB-CG 4.43Å; F58-E410 HydrophobicContact CE2-CB 3.84Å; F58-E410 HydrophobicContact CE2-CG 3.99Å; E410-C424 WeakPolarHBondContact O-CA 3.42Å; E410-C424 WeakPolarHBondContact O-CB 3.39Å; E410-V425 HydrophobicContact CB-CG2 4.03Å; E410-V425 PolarHBondContact O-N 3.45Å; E410-V425 VanDerWaalsContact O-N 3.08Å
411	V	91.4	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.7	-170.6	-68.5	0	0	0	0	113.1	I56 T57 F58 C422 C424	I56-V411 PolarHBondContact O-N 3.25Å; T57-V411 HydrophobicContact CG2-CG2 4.1Å; F58-V411 PolarHBondContact N-O 2.99Å; V411-C422 HydrophobicContact CB-CB 4.27Å; V411-C424 HydrophobicContact CG1-CB 3.97Å
412	L	91.4	Very high	90.1	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.7	171.8	-50.1	-178.7	0	0	0	108.7	C422 F423 V425 V428 A437 A440 I441 W446	L412-C422 WeakPolarHBondContact O-CA 3.31Å; L412-F423 WeakPolarHBondContact CB-O 3.18Å; L412-F423 PolarHBondContact N-O 3.08Å; L412-F423 PolarHBondContact O-N 3.25Å; L412-V425 HydrophobicContact CD2-CG2 4.36Å; L412-V428 HydrophobicContact CD1-CG2 4.31Å; L412-A437 HydrophobicContact CD1-CB 4.35Å; L412-A440 HydrophobicContact CD1-CB 3.79Å; L412-I441 HydrophobicContact CD2-CD1 3.93Å; L412-I441 HydrophobicContact CD2-CG1 3.44Å; L412-I441 VanDerWaalsContact CD2-CG1 3.44Å; L412-W446 HydrophobicContact CB-CE3 4.22Å; L412-W446 HydrophobicContact CB-CH2 4.22Å; L412-W446 HydrophobicContact CB-CZ3 3.75Å
413	M	92.3	Very high	90.1	Very high	30 Å²	30	27 Å²	27	15%	0.148	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.6	176.3	-59.1	-173.6	-62.7	0	0	110.1	T57 F58 Q59 Y398	T57-M413 HydrophobicContact CG2-SD 3.86Å; F58-M413 PolarHBondContact O-N 3.15Å; Q59-M413 HydrophobicContact CB-CE 4.09Å; Y398-M413 HydrophobicContact CD1-CB 3.91Å; Y398-M413 HydrophobicContact CD1-CG 4.23Å; Y398-M413 HydrophobicContact CD1-SD 4.49Å; Y398-M413 HydrophobicContact CD2-SD 3.92Å; Y398-M413 HydrophobicContact CE1-CB 3.92Å; Y398-M413 HydrophobicContact CE2-SD 4.41Å; Y398-M413 HydrophobicContact CG-CB 4.37Å; Y398-M413 HydrophobicContact CG-CG 4.25Å; Y398-M413 HydrophobicContact CG-SD 3.99Å
414	C	93.3	Very high	90	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-70.4	128.2	177.3	-170.7	0	0	0	0	111.4	Y398 N416 C419 R421 C448	Y398-C414 WeakPolarHBondContact CE1-O 3.47Å; Y398-C414 PolarHBondContact OH-O 3.15Å; C414-N416 PolarHBondContact O-N 2.93Å; C414-N416 VanDerWaalsContact SG-CB 3.59Å; C414-C419 HydrophobicContact CB-CB 4.09Å; C414-C419 VanDerWaalsContact SG-SG 3.69Å; C414-R421 PolarHBondContact N-O 2.78Å; C414-C448 HydrophobicContact CB-CB 3.86Å; C414-C448 PolarHBondContact SG-N 3.29Å; C414-C448 VanDerWaalsContact SG-N 3.41Å; C414-C448 PolarHBondContact SG-SG 2.9Å
415	G	90.1	Very high	89.8	Confident	38 Å²	38	28.1 Å²	28.1	39%	0.392	16%	0.163	S	C	.	.			trans	-80.4	7.4	174.7	0	0	0	0	0	115.2	W446	G415-W446 WeakPolarHBondContact CA-O 3.24Å; G415-W446 PolarHBondContact N-O 3.27Å
416	N	90.8	Very high	89.8	Confident	29 Å²	29	30.7 Å²	30.7	16%	0.155	17%	0.172	C	C	.	.	S	Bend	trans	-90.5	128.5	-179	-164.9	-50.7	0	0	0	111.1	C414 C419 N447 C451	C414-N416 PolarHBondContact O-N 2.93Å; C414-N416 VanDerWaalsContact SG-CB 3.59Å; N416-C419 HydrophobicContact CB-CB 4.14Å; N416-C419 WeakPolarHBondContact O-CB 3.44Å; N416-C419 PolarHBondContact O-N 3.47Å; N416-N447 WeakPolarHBondContact CB-OD1 3.34Å; N416-N447 PolarHBondContact ND2-OD1 3.39Å; N416-C451 HydrophobicContact CB-CB 4.25Å
417	N	86.9	Confident	89.9	Confident	133 Å²	133	30.1 Å²	30.1	71%	0.711	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	143.3	178.1	-66.8	-15.9	0	0	0	112	C419	N417-C419 PolarHBondContact O-N 3.11Å; N417-C419 VanDerWaalsContact O-N 3.16Å
418	N	89	Confident	90.4	Very high	31 Å²	31	29.1 Å²	29.1	17%	0.166	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	4.2	-171.7	-48.2	-52.3	0	0	0	116.1	V493 R496 A775 C776	N418-V493 HydrophobicContact CB-CB 4.47Å; N418-V493 PolarHBondContact ND2-O 3.39Å; N418-R496 HydrophobicContact CB-CB 4.2Å; N418-R496 PolarHBondContact O-NH1 3.03Å; N418-A775 VanDerWaalsContact OD1-CA 3.24Å; N418-A775 WeakPolarHBondContact OD1-CA 3.44Å; N418-A775 WeakPolarHBondContact OD1-CB 3.34Å; N418-C776 PolarHBondContact OD1-N 3Å; N418-C776 PolarHBondContact OD1-O 2.88Å
419	C	92	Very high	91.3	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.02	15%	0.154	C	C	.	.			trans	-102.8	101.9	178.2	-167.4	0	0	0	0	113.2	Y398 C414 N416 N417 R421 C451 V493	Y398-C419 VanDerWaalsContact CE1-O 3.28Å; Y398-C419 WeakPolarHBondContact CE1-O 3.41Å; C414-C419 HydrophobicContact CB-CB 4.09Å; C414-C419 VanDerWaalsContact SG-SG 3.69Å; N416-C419 HydrophobicContact CB-CB 4.14Å; N416-C419 WeakPolarHBondContact O-CB 3.44Å; N416-C419 PolarHBondContact O-N 3.47Å; N417-C419 PolarHBondContact O-N 3.11Å; N417-C419 VanDerWaalsContact O-N 3.16Å; C419-R421 VanDerWaalsContact C-N 3.3Å; C419-R421 PolarHBondContact O-N 3.42Å; C419-C451 PolarHBondContact SG-SG 3.44Å; C419-V493 HydrophobicContact CB-CG1 3.93Å
420	C	93	Very high	92.2	Very high	12 Å²	12	24.3 Å²	24.3	8%	0.081	14%	0.136	C	C	.	.			trans	-90.4	28	179.1	-55.9	0	0	0	0	113.8	Y393 G397 Q399 K771	Y393-C420 HydrophobicContact CD1-CB 4.17Å; Y393-C420 HydrophobicContact CE1-CB 3.86Å; G397-C420 WeakPolarHBondContact O-CB 3.33Å; Q399-C420 WeakPolarHBondContact CB-O 3.37Å; Q399-C420 WeakPolarHBondContact CG-O 3.44Å; Q399-C420 PolarHBondContact N-O 3.11Å; C420-K771 WeakPolarHBondContact SG-CE 3.39Å; C420-K771 PolarHBondContact SG-NZ 3.1Å
421	R	94.4	Very high	92.7	Very high	13 Å²	13	22.3 Å²	22.3	5%	0.049	13%	0.126	C	C	.	.			trans	-95.9	146.7	-172.6	-66.3	-176.2	-178.3	-88.8	-7	113	C414 C419 F423 D772	C414-R421 PolarHBondContact N-O 2.78Å; C419-R421 VanDerWaalsContact C-N 3.3Å; C419-R421 PolarHBondContact O-N 3.42Å; R421-F423 HydrophobicContact CB-CE2 4.15Å; R421-D772 IonicContact CZ-OD1 2.69Å; R421-D772 IonicContact CZ-OD2 3.96Å; R421-D772 IonicContact NE-OD1 3.03Å; R421-D772 IonicContact NH2-OD1 2.99Å; R421-D772 PolarHBondContact NH2-OD1 3.09Å; R421-D772 IonicContact NH2-OD2 3.67Å; R421-D772 PolarHBondContact NH2-OD2 2.89Å
422	C	94.1	Very high	92.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.5	-173.3	-73.7	0	0	0	0	111.6	Q399 C402 T403 V411 L412	Q399-C422 HydrophobicContact CB-CB 4.43Å; Q399-C422 PolarHBondContact O-SG 3.08Å; C402-C422 CarbonylContact C-O 3.57Å; C402-C422 WeakPolarHBondContact CA-O 3.38Å; T403-C422 PolarHBondContact N-O 3.01Å; T403-C422 PolarHBondContact OG1-N 3.47Å; T403-C422 PolarHBondContact OG1-O 3.48Å; V411-C422 HydrophobicContact CB-CB 4.27Å; L412-C422 WeakPolarHBondContact O-CA 3.31Å
423	F	96.3	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124	177.7	-69.1	-94.2	0	0	0	110.3	F374 T403 I404 L412 R421 V428 W446 C448 F449 M450	F374-F423 AromaticContact CE2-CE1 4Å; F374-F423 HydrophobicContact CE2-CE1 4Å; F374-F423 HydrophobicContact CE2-CZ 4.44Å; F374-F423 AromaticContact CZ-CE1 3.78Å; F374-F423 HydrophobicContact CZ-CE1 3.78Å; F374-F423 HydrophobicContact CZ-CZ 4.07Å; T403-F423 HydrophobicContact CG2-CE1 4.33Å; T403-F423 HydrophobicContact CG2-CZ 3.94Å; I404-F423 HydrophobicContact CD1-CD1 3.67Å; I404-F423 HydrophobicContact CD1-CE1 3.78Å; I404-F423 HydrophobicContact CG1-CD1 3.94Å; I404-F423 HydrophobicContact CG1-CE1 3.76Å; L412-F423 WeakPolarHBondContact CB-O 3.18Å; L412-F423 PolarHBondContact N-O 3.08Å; L412-F423 PolarHBondContact O-N 3.25Å; R421-F423 HydrophobicContact CB-CE2 4.15Å; F423-V428 HydrophobicContact CB-CG2 3.94Å; F423-W446 HydrophobicContact CB-CH2 4.15Å; F423-W446 AromaticContact CD2-CH2 3.87Å; F423-W446 HydrophobicContact CD2-CH2 3.87Å; F423-W446 HydrophobicContact CD2-CZ3 4.44Å; F423-W446 HydrophobicContact CG-CH2 4.24Å; F423-C448 HydrophobicContact CD2-CB 3.84Å; F423-C448 HydrophobicContact CE2-CB 3.59Å; F423-F449 HydrophobicContact CB-CE2 4.23Å; F423-F449 AromaticContact CD1-CD2 3.66Å; F423-F449 HydrophobicContact CD1-CD2 3.66Å; F423-F449 AromaticContact CD1-CE2 3.87Å; F423-F449 HydrophobicContact CD1-CE2 3.87Å; F423-F449 HydrophobicContact CD2-CD2 4.32Å; F423-F449 AromaticContact CE1-CD2 3.74Å; F423-F449 HydrophobicContact CE1-CD2 3.74Å; F423-F449 HydrophobicContact CE1-CE2 4.42Å; F423-F449 HydrophobicContact CE2-CD2 4.42Å; F423-F449 AromaticContact CG-CD2 3.97Å; F423-F449 HydrophobicContact CG-CD2 3.97Å; F423-F449 AromaticContact CG-CE2 3.93Å; F423-F449 HydrophobicContact CG-CE2 3.93Å; F423-F449 HydrophobicContact CZ-CD2 4.14Å; F423-M450 HydrophobicContact CZ-CG 4.1Å
424	C	94.4	Very high	93	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.3	179.4	70.8	0	0	0	0	112.2	C402 E410 V411 E426 C427 V428	C402-C424 HydrophobicContact CB-CB 3.89Å; C402-C424 PolarHBondContact SG-N 3.2Å; C402-C424 VanDerWaalsContact SG-SG 3.67Å; E410-C424 WeakPolarHBondContact O-CA 3.42Å; E410-C424 WeakPolarHBondContact O-CB 3.39Å; V411-C424 HydrophobicContact CG1-CB 3.97Å; C424-E426 PolarHBondContact O-N 3.26Å; C424-E426 VanDerWaalsContact O-N 3.17Å; C424-C427 PolarHBondContact O-N 2.89Å; C424-C427 PolarHBondContact SG-SG 2.68Å; C424-V428 PolarHBondContact O-N 2.56Å
425	V	92.4	Very high	93	Very high	27 Å²	27	31.9 Å²	31.9	16%	0.164	19%	0.186	C	C	.	.	H	α-helix	trans	-46.9	-46.6	-179.2	171.4	0	0	0	0	111.6	E410 L412 V428 D429 A437	E410-V425 HydrophobicContact CB-CG2 4.03Å; E410-V425 PolarHBondContact O-N 3.45Å; E410-V425 VanDerWaalsContact O-N 3.08Å; L412-V425 HydrophobicContact CD2-CG2 4.36Å; V425-V428 PolarHBondContact O-N 3.16Å; V425-D429 PolarHBondContact O-N 2.89Å; V425-A437 HydrophobicContact CB-CB 4.21Å; V425-A437 HydrophobicContact CG1-CB 3.75Å; V425-A437 HydrophobicContact CG2-CB 4.4Å
426	E	91.6	Very high	93.2	Very high	75 Å²	75	31.3 Å²	31.3	35%	0.35	18%	0.178	S	C	.	.	H	α-helix	trans	-57.1	-49.1	177.1	-172.8	-148.6	154.3	0	0	113.2	R341 C424 V428 L430	R341-E426 IonicContact CZ-OE1 3.78Å; R341-E426 VanDerWaalsContact NH1-CD 3.26Å; R341-E426 IonicContact NH1-OE1 3.58Å; R341-E426 PolarHBondContact NH1-OE1 3.17Å; R341-E426 IonicContact NH1-OE2 3.38Å; C424-E426 PolarHBondContact O-N 3.26Å; C424-E426 VanDerWaalsContact O-N 3.17Å; E426-V428 VanDerWaalsContact C-N 3.28Å; E426-V428 PolarHBondContact O-N 3.27Å; E426-L430 HydrophobicContact CG-CD1 4.1Å; E426-L430 WeakPolarHBondContact O-CB 3.49Å; E426-L430 VanDerWaalsContact O-CG 3.24Å; E426-L430 WeakPolarHBondContact O-CG 3.46Å; E426-L430 PolarHBondContact O-N 3.21Å
427	C	94.9	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-34.3	179.7	-71.8	0	0	0	0	112	R341 I404 C405 C424 L431	R341-C427 PolarHBondContact NH1-SG 3.36Å; R341-C427 PolarHBondContact NH2-SG 2.63Å; I404-C427 HydrophobicContact CD1-CB 4.18Å; C405-C427 VanDerWaalsContact SG-SG 3.66Å; C424-C427 PolarHBondContact O-N 2.89Å; C424-C427 PolarHBondContact SG-SG 2.68Å; C427-L431 VanDerWaalsContact O-CB 3.29Å; C427-L431 WeakPolarHBondContact O-CB 3.35Å; C427-L431 WeakPolarHBondContact O-CG 3.32Å; C427-L431 PolarHBondContact O-N 2.61Å
428	V	96	Very high	93.5	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-71.6	-50.6	179	178.6	0	0	0	0	110.9	L412 F423 C424 V425 E426 L430 V432 G433 A436 A437 F449	L412-V428 HydrophobicContact CD1-CG2 4.31Å; F423-V428 HydrophobicContact CB-CG2 3.94Å; C424-V428 PolarHBondContact O-N 2.56Å; V425-V428 PolarHBondContact O-N 3.16Å; E426-V428 VanDerWaalsContact C-N 3.28Å; E426-V428 PolarHBondContact O-N 3.27Å; V428-L430 VanDerWaalsContact C-N 3.29Å; V428-L430 PolarHBondContact O-N 3.08Å; V428-V432 HydrophobicContact CG1-CB 4.35Å; V428-V432 HydrophobicContact CG1-CG2 4.24Å; V428-V432 WeakPolarHBondContact O-CA 3.42Å; V428-V432 VanDerWaalsContact O-CB 3.23Å; V428-V432 WeakPolarHBondContact O-CB 3.43Å; V428-V432 PolarHBondContact O-N 3.49Å; V428-G433 PolarHBondContact O-N 3.33Å; V428-A436 HydrophobicContact CG1-CB 3.91Å; V428-A437 HydrophobicContact CB-CB 4.12Å; V428-A437 HydrophobicContact CG1-CB 4.09Å; V428-F449 HydrophobicContact CG1-CZ 3.94Å; V428-F449 HydrophobicContact CG2-CE2 3.74Å; V428-F449 HydrophobicContact CG2-CZ 3.91Å
429	D	94.2	Very high	93.7	Very high	40 Å²	40	28.4 Å²	28.4	21%	0.214	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-30.2	-179.2	-82.9	-12.8	0	0	0	112.8	V425 G433 Q434 G435 A436 A437	V425-D429 PolarHBondContact O-N 2.89Å; D429-G433 WeakPolarHBondContact CA-O 3.35Å; D429-G433 CarbonylContact O-C 3.59Å; D429-G433 WeakPolarHBondContact O-CA 3.28Å; D429-Q434 PolarHBondContact O-N 2.96Å; D429-Q434 VanDerWaalsContact O-N 3.1Å; D429-G435 WeakPolarHBondContact OD1-CA 3.47Å; D429-G435 PolarHBondContact OD1-N 2.67Å; D429-A436 PolarHBondContact OD1-N 3Å; D429-A436 VanDerWaalsContact OD1-N 3.09Å; D429-A437 WeakPolarHBondContact OD1-CB 3.47Å; D429-A437 PolarHBondContact OD1-N 3.48Å
430	L	93.4	Very high	93.7	Very high	24 Å²	24	28.6 Å²	28.6	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-79.3	-53.7	175.3	-64	-178.4	0	0	0	113	R341 E342 V345 R349 E426 V428	R341-L430 HydrophobicContact CG-CD1 4.29Å; E342-L430 HydrophobicContact CB-CD2 4.22Å; E342-L430 HydrophobicContact CG-CD1 4.31Å; E342-L430 HydrophobicContact CG-CD2 3.79Å; V345-L430 VanDerWaalsContact CG1-O 3.31Å; V345-L430 WeakPolarHBondContact CG1-O 3.33Å; R349-L430 PolarHBondContact NH2-O 3.12Å; E426-L430 HydrophobicContact CG-CD1 4.1Å; E426-L430 WeakPolarHBondContact O-CB 3.49Å; E426-L430 VanDerWaalsContact O-CG 3.24Å; E426-L430 WeakPolarHBondContact O-CG 3.46Å; E426-L430 PolarHBondContact O-N 3.21Å; V428-L430 VanDerWaalsContact C-N 3.29Å; V428-L430 PolarHBondContact O-N 3.08Å
431	L	95.3	Very high	93.5	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-84	-38.5	-170.8	-58	174.8	0	0	0	112.3	V345 R349 I404 C427 L459 L460	V345-L431 HydrophobicContact CG1-CD2 4.39Å; V345-L431 HydrophobicContact CG2-CD2 3.97Å; R349-L431 PolarHBondContact NH2-O 3.45Å; R349-L431 VanDerWaalsContact NH2-O 3.17Å; I404-L431 HydrophobicContact CD1-CD1 4.25Å; I404-L431 HydrophobicContact CG2-CD1 4.01Å; C427-L431 VanDerWaalsContact O-CB 3.29Å; C427-L431 WeakPolarHBondContact O-CB 3.35Å; C427-L431 WeakPolarHBondContact O-CG 3.32Å; C427-L431 PolarHBondContact O-N 2.61Å; L431-L459 WeakPolarHBondContact O-CA 3.39Å; L431-L459 WeakPolarHBondContact O-CB 3.28Å; L431-L459 PolarHBondContact O-N 2.83Å; L431-L460 HydrophobicContact CB-CB 4.14Å; L431-L460 HydrophobicContact CB-CD1 4.48Å; L431-L460 HydrophobicContact CD1-CD1 4.09Å
432	V	95.9	Very high	93.2	Very high	25 Å²	25	35 Å²	35	15%	0.152	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-65.3	174.3	-174.4	0	0	0	0	109.4	R349 V428 A436 F449 F457 G458 L460	R349-V432 PolarHBondContact NH1-O 3.17Å; R349-V432 VanDerWaalsContact NH2-C 3.26Å; R349-V432 PolarHBondContact NH2-O 3.16Å; V428-V432 HydrophobicContact CG1-CB 4.35Å; V428-V432 HydrophobicContact CG1-CG2 4.24Å; V428-V432 WeakPolarHBondContact O-CA 3.42Å; V428-V432 VanDerWaalsContact O-CB 3.23Å; V428-V432 WeakPolarHBondContact O-CB 3.43Å; V428-V432 PolarHBondContact O-N 3.49Å; V432-A436 HydrophobicContact CB-CB 4.03Å; V432-A436 HydrophobicContact CG1-CB 3.81Å; V432-F449 HydrophobicContact CG2-CD1 4.47Å; V432-F449 HydrophobicContact CG2-CE1 3.8Å; V432-F449 HydrophobicContact CG2-CZ 3.82Å; V432-F457 WeakPolarHBondContact CA-O 3.42Å; V432-F457 HydrophobicContact CG1-CB 3.99Å; V432-F457 HydrophobicContact CG2-CB 3.91Å; V432-G458 WeakPolarHBondContact O-CA 3.19Å; V432-L460 HydrophobicContact CG2-CB 4.23Å; V432-L460 HydrophobicContact CG2-CD2 4.18Å
433	G	93.6	Very high	93	Very high	18 Å²	18	39.5 Å²	39.5	19%	0.186	22%	0.218	C	C	.	.			trans	163.8	153.4	174.7	0	0	0	0	0	112.4	V428 D429 G435 A436	V428-G433 PolarHBondContact O-N 3.33Å; D429-G433 WeakPolarHBondContact CA-O 3.35Å; D429-G433 CarbonylContact O-C 3.59Å; D429-G433 WeakPolarHBondContact O-CA 3.28Å; G433-G435 PolarHBondContact O-N 2.96Å; G433-A436 WeakPolarHBondContact O-CB 3.4Å; G433-A436 PolarHBondContact O-N 2.87Å
434	Q	92.4	Very high	92.4	Very high	162 Å²	162	44.9 Å²	44.9	76%	0.757	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	121.7	-168.6	-171.1	160.5	58.7	0	0	112	D429	D429-Q434 PolarHBondContact O-N 2.96Å; D429-Q434 VanDerWaalsContact O-N 3.1Å
435	G	92.1	Very high	92	Very high	35 Å²	35	48.5 Å²	48.5	36%	0.361	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-7.9	-173.5	0	0	0	0	0	114.1	D429 G433 A437 H438 A439	D429-G435 WeakPolarHBondContact OD1-CA 3.47Å; D429-G435 PolarHBondContact OD1-N 2.67Å; G433-G435 PolarHBondContact O-N 2.96Å; G435-A437 VanDerWaalsContact C-N 3.25Å; G435-A437 PolarHBondContact O-N 3.22Å; G435-H438 PolarHBondContact O-N 3.13Å; G435-H438 VanDerWaalsContact O-N 3.1Å; G435-A439 PolarHBondContact O-N 2.95Å
436	A	94.7	Very high	92	Very high	26 Å²	26	48 Å²	48	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-31.2	175.5	0	0	0	0	0	112.2	V428 D429 V432 G433 H438 A439 A440	V428-A436 HydrophobicContact CG1-CB 3.91Å; D429-A436 PolarHBondContact OD1-N 3Å; D429-A436 VanDerWaalsContact OD1-N 3.09Å; V432-A436 HydrophobicContact CB-CB 4.03Å; V432-A436 HydrophobicContact CG1-CB 3.81Å; G433-A436 WeakPolarHBondContact O-CB 3.4Å; G433-A436 PolarHBondContact O-N 2.87Å; A436-H438 VanDerWaalsContact C-N 3.35Å; A436-A439 PolarHBondContact O-N 2.98Å; A436-A440 WeakPolarHBondContact O-CB 3.26Å; A436-A440 PolarHBondContact O-N 2.94Å
437	A	92.6	Very high	92.1	Very high	1 Å²	1	47 Å²	47	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-39.4	172.8	0	0	0	0	0	111.6	L412 V425 V428 D429 G435 A440 I441	L412-A437 HydrophobicContact CD1-CB 4.35Å; V425-A437 HydrophobicContact CB-CB 4.21Å; V425-A437 HydrophobicContact CG1-CB 3.75Å; V425-A437 HydrophobicContact CG2-CB 4.4Å; V428-A437 HydrophobicContact CB-CB 4.12Å; V428-A437 HydrophobicContact CG1-CB 4.09Å; D429-A437 WeakPolarHBondContact OD1-CB 3.47Å; D429-A437 PolarHBondContact OD1-N 3.48Å; G435-A437 VanDerWaalsContact C-N 3.25Å; G435-A437 PolarHBondContact O-N 3.22Å; A437-A440 PolarHBondContact O-N 3.47Å; A437-I441 VanDerWaalsContact O-CG1 3.29Å; A437-I441 WeakPolarHBondContact O-CG1 3.32Å; A437-I441 PolarHBondContact O-N 3.02Å
438	H	90.6	Very high	92.1	Very high	75 Å²	75	47 Å²	47	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-73.3	-27.1	177.3	-172.7	56.1	0	0	0	113.1	Y65 G435 A436 K442	Y65-H438 AromaticContact CD1-CE1 3.45Å; Y65-H438 VanDerWaalsContact CD1-CE1 3.45Å; Y65-H438 WeakPolarHBondContact CD1-CE1 3.09Å; Y65-H438 AromaticContact CD1-ND1 3.99Å; Y65-H438 AromaticContact CD1-NE2 3.21Å; Y65-H438 WeakPolarHBondContact CD1-NE2 3.46Å; Y65-H438 AromaticContact CE1-CE1 2.85Å; Y65-H438 WeakPolarHBondContact CE1-CE1 3.34Å; Y65-H438 AromaticContact CE1-ND1 3.49Å; Y65-H438 WeakPolarHBondContact CE1-ND1 3.43Å; Y65-H438 AromaticContact CE1-NE2 3.42Å; Y65-H438 WeakPolarHBondContact CE1-NE2 3.1Å; Y65-H438 AromaticContact CZ-CE1 3.6Å; G435-H438 PolarHBondContact O-N 3.13Å; G435-H438 VanDerWaalsContact O-N 3.1Å; A436-H438 VanDerWaalsContact C-N 3.35Å; H438-K442 WeakPolarHBondContact NE2-CE 3.36Å
439	A	93.1	Very high	92	Very high	56 Å²	56	47.4 Å²	47.4	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-66.5	-49.4	168.1	0	0	0	0	0	111	G435 A436 I441 K442 E443	G435-A439 PolarHBondContact O-N 2.95Å; A436-A439 PolarHBondContact O-N 2.98Å; A439-I441 VanDerWaalsContact C-N 3.33Å; A439-I441 PolarHBondContact O-N 3.36Å; A439-K442 WeakPolarHBondContact O-CB 3.3Å; A439-K442 PolarHBondContact O-N 2.96Å; A439-E443 PolarHBondContact O-N 2.94Å; A439-E443 VanDerWaalsContact O-N 3.17Å
440	A	92.4	Very high	92	Very high	6 Å²	6	46.1 Å²	46.1	5%	0.05	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-36.1	178.4	0	0	0	0	0	113.6	L412 A436 A437 K442 E443 W446	L412-A440 HydrophobicContact CD1-CB 3.79Å; A436-A440 WeakPolarHBondContact O-CB 3.26Å; A436-A440 PolarHBondContact O-N 2.94Å; A437-A440 PolarHBondContact O-N 3.47Å; A440-K442 PolarHBondContact O-N 2.86Å; A440-E443 PolarHBondContact O-N 2.67Å; A440-W446 HydrophobicContact CB-CD2 4.08Å; A440-W446 HydrophobicContact CB-CG 4Å; A440-W446 HydrophobicContact CB-CZ2 4.46Å
441	I	88.8	Confident	92	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-28.1	173.9	-71	166	0	0	0	112.5	G61 Y65 L412 A437 A439	G61-I441 PolarHBondContact N-O 2.96Å; Y65-I441 HydrophobicContact CD1-CG2 4.44Å; Y65-I441 HydrophobicContact CD2-CG2 4.29Å; Y65-I441 HydrophobicContact CE1-CD1 4.37Å; Y65-I441 HydrophobicContact CE2-CD1 3.86Å; Y65-I441 HydrophobicContact CG-CG2 4.2Å; L412-I441 HydrophobicContact CD2-CD1 3.93Å; L412-I441 HydrophobicContact CD2-CG1 3.44Å; L412-I441 VanDerWaalsContact CD2-CG1 3.44Å; A437-I441 VanDerWaalsContact O-CG1 3.29Å; A437-I441 WeakPolarHBondContact O-CG1 3.32Å; A437-I441 PolarHBondContact O-N 3.02Å; A439-I441 VanDerWaalsContact C-N 3.33Å; A439-I441 PolarHBondContact O-N 3.36Å
442	K	89.3	Confident	91.7	Very high	145 Å²	145	46.8 Å²	46.8	63%	0.63	26%	0.264	S	S	*	.	H	α-helix	trans	-94.5	-8.2	179.7	-69.4	175.9	171.5	170.3	0	113.9	H438 A439 A440	H438-K442 WeakPolarHBondContact NE2-CE 3.36Å; A439-K442 WeakPolarHBondContact O-CB 3.3Å; A439-K442 PolarHBondContact O-N 2.96Å; A440-K442 PolarHBondContact O-N 2.86Å
443	E	88.9	Confident	91.2	Very high	96 Å²	96	51.8 Å²	51.8	45%	0.449	30%	0.297	S	S	.	.	S	Bend	trans	-92	106.2	179.8	-173.8	-173.4	137.8	0	0	108.5	A60 A439 A440 W446	A60-E443 WeakPolarHBondContact CB-O 3.48Å; A439-E443 PolarHBondContact O-N 2.94Å; A439-E443 VanDerWaalsContact O-N 3.17Å; A440-E443 PolarHBondContact O-N 2.67Å; E443-W446 HydrophobicContact CB-CB 4.31Å; E443-W446 WeakPolarHBondContact O-CA 3.38Å; E443-W446 VanDerWaalsContact O-CB 3.24Å; E443-W446 WeakPolarHBondContact O-CB 3.34Å; E443-W446 PolarHBondContact O-N 2.83Å
444	D	84.9	Confident	91	Very high	113 Å²	113	57.1 Å²	57.1	60%	0.604	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	118.2	177.1	-173.4	31.2	0	0	0	110.2	A60	A60-D444 HydrophobicContact CB-CB 4.04Å
445	P	85	Confident	90.7	Very high	77 Å²	77	50.4 Å²	50.4	50%	0.5	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.1	120.9	-2.6	33.1	-32.8	0	0	0	113.7	N447	P445-N447 PolarHBondContact O-N 2.69Å; P445-N447 PolarHBondContact O-ND2 2.99Å
446	W	92.7	Very high	90.8	Very high	15 Å²	15	51.5 Å²	51.5	6%	0.057	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.5	126.4	176.6	178.1	64.1	0	0	0	112.7	L412 G415 F423 A440 E443 C448 F449	L412-W446 HydrophobicContact CB-CE3 4.22Å; L412-W446 HydrophobicContact CB-CH2 4.22Å; L412-W446 HydrophobicContact CB-CZ3 3.75Å; G415-W446 WeakPolarHBondContact CA-O 3.24Å; G415-W446 PolarHBondContact N-O 3.27Å; F423-W446 HydrophobicContact CB-CH2 4.15Å; F423-W446 AromaticContact CD2-CH2 3.87Å; F423-W446 HydrophobicContact CD2-CH2 3.87Å; F423-W446 HydrophobicContact CD2-CZ3 4.44Å; F423-W446 HydrophobicContact CG-CH2 4.24Å; A440-W446 HydrophobicContact CB-CD2 4.08Å; A440-W446 HydrophobicContact CB-CG 4Å; A440-W446 HydrophobicContact CB-CZ2 4.46Å; E443-W446 HydrophobicContact CB-CB 4.31Å; E443-W446 WeakPolarHBondContact O-CA 3.38Å; E443-W446 VanDerWaalsContact O-CB 3.24Å; E443-W446 WeakPolarHBondContact O-CB 3.34Å; E443-W446 PolarHBondContact O-N 2.83Å; W446-C448 HydrophobicContact CE3-CB 4.4Å; W446-C448 HydrophobicContact CH2-CB 3.52Å; W446-C448 HydrophobicContact CZ2-CB 4.06Å; W446-C448 HydrophobicContact CZ3-CB 3.71Å; W446-F449 HydrophobicContact CH2-CE2 4.03Å; W446-F449 HydrophobicContact CH2-CZ 4.37Å; W446-F449 HydrophobicContact CZ2-CD2 4.35Å; W446-F449 HydrophobicContact CZ2-CE1 4.15Å; W446-F449 AromaticContact CZ2-CE2 3.71Å; W446-F449 HydrophobicContact CZ2-CE2 3.71Å; W446-F449 AromaticContact CZ2-CZ 3.61Å; W446-F449 HydrophobicContact CZ2-CZ 3.61Å
447	N	92.5	Very high	90.8	Very high	55 Å²	55	52 Å²	52	29%	0.294	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-98.1	117.9	175.4	-83.2	-91.9	0	0	0	111.5	N416 P445	N416-N447 WeakPolarHBondContact CB-OD1 3.34Å; N416-N447 PolarHBondContact ND2-OD1 3.39Å; P445-N447 PolarHBondContact O-N 2.69Å; P445-N447 PolarHBondContact O-ND2 2.99Å
448	C	94.8	Very high	90.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-67.3	160.5	-178.6	82.7	0	0	0	0	113.4	C414 F423 W446 M450 C451 S452	C414-C448 HydrophobicContact CB-CB 3.86Å; C414-C448 PolarHBondContact SG-N 3.29Å; C414-C448 VanDerWaalsContact SG-N 3.41Å; C414-C448 PolarHBondContact SG-SG 2.9Å; F423-C448 HydrophobicContact CD2-CB 3.84Å; F423-C448 HydrophobicContact CE2-CB 3.59Å; W446-C448 HydrophobicContact CE3-CB 4.4Å; W446-C448 HydrophobicContact CH2-CB 3.52Å; W446-C448 HydrophobicContact CZ2-CB 4.06Å; W446-C448 HydrophobicContact CZ3-CB 3.71Å; C448-M450 PolarHBondContact O-N 2.8Å; C448-C451 PolarHBondContact O-N 3.48Å; C448-S452 PolarHBondContact O-N 3.39Å
449	F	95.6	Very high	91.1	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.039	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-18.6	-174.6	-40.3	-69.5	0	0	0	114.7	F374 F423 V428 V432 W446 F457 L460	F374-F449 HydrophobicContact CE1-CB 4.22Å; F374-F449 HydrophobicContact CZ-CB 4.4Å; F423-F449 HydrophobicContact CB-CE2 4.23Å; F423-F449 AromaticContact CD1-CD2 3.66Å; F423-F449 HydrophobicContact CD1-CD2 3.66Å; F423-F449 AromaticContact CD1-CE2 3.87Å; F423-F449 HydrophobicContact CD1-CE2 3.87Å; F423-F449 HydrophobicContact CD2-CD2 4.32Å; F423-F449 AromaticContact CE1-CD2 3.74Å; F423-F449 HydrophobicContact CE1-CD2 3.74Å; F423-F449 HydrophobicContact CE1-CE2 4.42Å; F423-F449 HydrophobicContact CE2-CD2 4.42Å; F423-F449 AromaticContact CG-CD2 3.97Å; F423-F449 HydrophobicContact CG-CD2 3.97Å; F423-F449 AromaticContact CG-CE2 3.93Å; F423-F449 HydrophobicContact CG-CE2 3.93Å; F423-F449 HydrophobicContact CZ-CD2 4.14Å; V428-F449 HydrophobicContact CG1-CZ 3.94Å; V428-F449 HydrophobicContact CG2-CE2 3.74Å; V428-F449 HydrophobicContact CG2-CZ 3.91Å; V432-F449 HydrophobicContact CG2-CD1 4.47Å; V432-F449 HydrophobicContact CG2-CE1 3.8Å; V432-F449 HydrophobicContact CG2-CZ 3.82Å; W446-F449 HydrophobicContact CH2-CE2 4.03Å; W446-F449 HydrophobicContact CH2-CZ 4.37Å; W446-F449 HydrophobicContact CZ2-CD2 4.35Å; W446-F449 HydrophobicContact CZ2-CE1 4.15Å; W446-F449 AromaticContact CZ2-CE2 3.71Å; W446-F449 HydrophobicContact CZ2-CE2 3.71Å; W446-F449 AromaticContact CZ2-CZ 3.61Å; W446-F449 HydrophobicContact CZ2-CZ 3.61Å; F449-F457 HydrophobicContact CB-CD2 3.95Å; F449-F457 HydrophobicContact CB-CE2 4Å; F449-F457 HydrophobicContact CD1-CB 4.02Å; F449-F457 AromaticContact CD1-CD1 3.85Å; F449-F457 HydrophobicContact CD1-CD1 3.85Å; F449-F457 AromaticContact CD1-CD2 3.59Å; F449-F457 HydrophobicContact CD1-CD2 3.59Å; F449-F457 HydrophobicContact CD1-CE1 4.21Å; F449-F457 AromaticContact CD1-CE2 3.96Å; F449-F457 HydrophobicContact CD1-CE2 3.96Å; F449-F457 AromaticContact CD1-CG 3.53Å; F449-F457 HydrophobicContact CD1-CG 3.53Å; F449-F457 HydrophobicContact CD1-CZ 4.26Å; F449-F457 HydrophobicContact CE1-CB 4.33Å; F449-F457 HydrophobicContact CE1-CD1 4.2Å; F449-F457 HydrophobicContact CE1-CG 4.13Å; F449-F457 HydrophobicContact CG-CD2 4.18Å; F449-F457 HydrophobicContact CG-CE2 4.49Å; F449-F457 HydrophobicContact CG-CG 4.49Å; F449-L460 HydrophobicContact CB-CD2 4.07Å; F449-L460 HydrophobicContact CD1-CD2 4.35Å; F449-L460 HydrophobicContact CD2-CD2 3.65Å; F449-L460 HydrophobicContact CE2-CD2 4.2Å; F449-L460 HydrophobicContact CG-CD2 3.73Å
450	M	94.2	Very high	91.2	Very high	14 Å²	14	50.2 Å²	50.2	7%	0.069	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-30.3	172.1	-65.4	-58.2	-65.8	0	0	113	L373 F374 F423 C448 R462 W466	L373-M450 HydrophobicContact CB-CE 4.44Å; L373-M450 HydrophobicContact CB-SD 4.35Å; L373-M450 HydrophobicContact CD2-CE 4.18Å; F374-M450 HydrophobicContact CE1-SD 3.93Å; F374-M450 HydrophobicContact CE2-SD 4.02Å; F374-M450 HydrophobicContact CZ-CG 4.07Å; F374-M450 HydrophobicContact CZ-SD 3.49Å; F374-M450 WeakPolarHBondContact CZ-SD 3.31Å; F423-M450 HydrophobicContact CZ-CG 4.1Å; C448-M450 PolarHBondContact O-N 2.8Å; M450-R462 HydrophobicContact CE-CG 4.15Å; M450-R462 PolarHBondContact O-NH1 3.13Å; M450-R462 HydrophobicContact SD-CG 3.87Å; M450-W466 HydrophobicContact CE-CD2 3.51Å; M450-W466 HydrophobicContact CE-CE3 3.91Å; M450-W466 HydrophobicContact CE-CG 3.87Å; M450-W466 HydrophobicContact CE-CH2 4.37Å; M450-W466 HydrophobicContact CE-CZ2 4.03Å; M450-W466 HydrophobicContact CE-CZ3 4.31Å
451	C	92	Very high	91.4	Very high	18 Å²	18	54.5 Å²	54.5	12%	0.122	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-29.7	-176.2	-58.4	0	0	0	0	113.4	N416 C419 C448 V493	N416-C451 HydrophobicContact CB-CB 4.25Å; C419-C451 PolarHBondContact SG-SG 3.44Å; C448-C451 PolarHBondContact O-N 3.48Å; C451-V493 HydrophobicContact CB-CG2 4.36Å
452	S	89.8	Confident	91.7	Very high	23 Å²	23	56.5 Å²	56.5	16%	0.161	31%	0.308	C	S	.	.	S	Bend	trans	-58.6	142.7	-179.9	-168.5	0	0	0	0	111.7	C448 K454 R462	C448-S452 PolarHBondContact O-N 3.39Å; S452-K454 PolarHBondContact O-N 3.04Å; S452-R462 PolarHBondContact O-NH1 3.35Å
453	P	86.3	Confident	92	Very high	130 Å²	130	51 Å²	51	84%	0.844	28%	0.284	S	S	*	.	S	Bend	trans	-65.1	-29.4	174.4	25.6	-34.6	0	0	0	112
454	K	87.6	Confident	92.1	Very high	129 Å²	129	52.1 Å²	52.1	56%	0.561	30%	0.302	S	S	*	.			trans	-71.2	129.5	174.6	-167.6	-174.2	-173.5	-166.3	0	109.7	S452 V456 F457	S452-K454 PolarHBondContact O-N 3.04Å; K454-V456 WeakPolarHBondContact CD-O 3.41Å; K454-V456 WeakPolarHBondContact CE-O 3.3Å; K454-V456 PolarHBondContact NZ-O 3.14Å; K454-F457 HydrophobicContact CB-CE1 4.47Å; K454-F457 HydrophobicContact CB-CZ 3.93Å; K454-F457 HydrophobicContact CD-CE1 4.18Å; K454-F457 HydrophobicContact CD-CZ 4.39Å; K454-F457 HydrophobicContact CG-CZ 4.41Å; K454-F457 WeakPolarHBondContact O-CE2 3.48Å; K454-F457 WeakPolarHBondContact O-CZ 3.46Å
455	G	87.8	Confident	92.4	Very high	21 Å²	21	49.6 Å²	49.6	22%	0.216	29%	0.288	C	S	.	.			trans	-83.7	-21	179.3	0	0	0	0	0	115.5	E461 R462	G455-E461 WeakPolarHBondContact O-CA 3.32Å; G455-R462 PolarHBondContact O-N 3.39Å
456	V	94	Very high	92.7	Very high	59 Å²	59	46.8 Å²	46.8	36%	0.358	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.1	-166.3	-172	0	0	0	0	112.7	K454 E461	K454-V456 WeakPolarHBondContact CD-O 3.41Å; K454-V456 WeakPolarHBondContact CE-O 3.3Å; K454-V456 PolarHBondContact NZ-O 3.14Å; V456-E461 HydrophobicContact CG2-CB 4.24Å; V456-E461 HydrophobicContact CG2-CG 3.94Å; V456-E461 WeakPolarHBondContact CG2-OE1 3.41Å
457	F	94.8	Very high	92.6	Very high	36 Å²	36	47 Å²	47	16%	0.158	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	91.8	-176.7	-61.3	-85.7	0	0	0	110.6	V432 F449 K454 L459 L460	V432-F457 WeakPolarHBondContact CA-O 3.42Å; V432-F457 HydrophobicContact CG1-CB 3.99Å; V432-F457 HydrophobicContact CG2-CB 3.91Å; F449-F457 HydrophobicContact CB-CD2 3.95Å; F449-F457 HydrophobicContact CB-CE2 4Å; F449-F457 HydrophobicContact CD1-CB 4.02Å; F449-F457 AromaticContact CD1-CD1 3.85Å; F449-F457 HydrophobicContact CD1-CD1 3.85Å; F449-F457 AromaticContact CD1-CD2 3.59Å; F449-F457 HydrophobicContact CD1-CD2 3.59Å; F449-F457 HydrophobicContact CD1-CE1 4.21Å; F449-F457 AromaticContact CD1-CE2 3.96Å; F449-F457 HydrophobicContact CD1-CE2 3.96Å; F449-F457 AromaticContact CD1-CG 3.53Å; F449-F457 HydrophobicContact CD1-CG 3.53Å; F449-F457 HydrophobicContact CD1-CZ 4.26Å; F449-F457 HydrophobicContact CE1-CB 4.33Å; F449-F457 HydrophobicContact CE1-CD1 4.2Å; F449-F457 HydrophobicContact CE1-CG 4.13Å; F449-F457 HydrophobicContact CG-CD2 4.18Å; F449-F457 HydrophobicContact CG-CE2 4.49Å; F449-F457 HydrophobicContact CG-CG 4.49Å; K454-F457 HydrophobicContact CB-CE1 4.47Å; K454-F457 HydrophobicContact CB-CZ 3.93Å; K454-F457 HydrophobicContact CD-CE1 4.18Å; K454-F457 HydrophobicContact CD-CZ 4.39Å; K454-F457 HydrophobicContact CG-CZ 4.41Å; K454-F457 WeakPolarHBondContact O-CE2 3.48Å; K454-F457 WeakPolarHBondContact O-CZ 3.46Å; F457-L459 PolarHBondContact O-N 3.17Å; F457-L460 HydrophobicContact CB-CB 4.42Å; F457-L460 PolarHBondContact N-O 2.78Å; F457-L460 WeakPolarHBondContact O-CB 3.33Å; F457-L460 PolarHBondContact O-N 3.25Å
458	G	93.6	Very high	92.3	Very high	51 Å²	51	48.4 Å²	48.4	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	-113.1	-174.8	0	0	0	0	0	110.6	V432	V432-G458 WeakPolarHBondContact O-CA 3.19Å
459	L	94.3	Very high	92	Very high	40 Å²	40	51 Å²	51	21%	0.209	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-10	169.2	-64	-179.8	0	0	0	113.2	V345 V348 R349 L355 L431 F457 E461	V345-L459 HydrophobicContact CG1-CD1 3.95Å; V348-L459 HydrophobicContact CB-CD1 4.16Å; V348-L459 HydrophobicContact CG1-CD1 3.67Å; V348-L459 HydrophobicContact CG1-CD2 4.03Å; V348-L459 HydrophobicContact CG1-CG 4.47Å; R349-L459 HydrophobicContact CG-CD1 3.53Å; R349-L459 HydrophobicContact CG-CD2 4.49Å; R349-L459 HydrophobicContact CG-CG 4.1Å; L355-L459 HydrophobicContact CD1-CB 4.29Å; L355-L459 WeakPolarHBondContact CD1-O 3.33Å; L355-L459 HydrophobicContact CD2-CB 4.42Å; L355-L459 HydrophobicContact CD2-CD1 4.48Å; L431-L459 WeakPolarHBondContact O-CA 3.39Å; L431-L459 WeakPolarHBondContact O-CB 3.28Å; L431-L459 PolarHBondContact O-N 2.83Å; F457-L459 PolarHBondContact O-N 3.17Å; L459-E461 PolarHBondContact O-N 2.88Å
460	L	96.3	Very high	91.8	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	105.3	-178.7	-172.9	69.4	0	0	0	110.5	F374 I404 L431 V432 F449 F457	F374-L460 HydrophobicContact CB-CD1 4.09Å; F374-L460 HydrophobicContact CD1-CD1 3.49Å; F374-L460 VanDerWaalsContact CD1-CD1 3.49Å; F374-L460 HydrophobicContact CD1-CD2 4.38Å; F374-L460 HydrophobicContact CD1-CG 3.73Å; F374-L460 HydrophobicContact CD2-CD1 4.18Å; F374-L460 HydrophobicContact CE1-CD1 3.91Å; F374-L460 HydrophobicContact CE1-CD2 3.97Å; F374-L460 HydrophobicContact CE1-CG 3.82Å; F374-L460 HydrophobicContact CG-CD1 3.66Å; F374-L460 HydrophobicContact CG-CG 4.42Å; F374-L460 HydrophobicContact CZ-CD1 4.42Å; F374-L460 HydrophobicContact CZ-CD2 4.34Å; I404-L460 HydrophobicContact CD1-CD1 3.79Å; I404-L460 HydrophobicContact CD1-CD2 3.88Å; L431-L460 HydrophobicContact CB-CB 4.14Å; L431-L460 HydrophobicContact CB-CD1 4.48Å; L431-L460 HydrophobicContact CD1-CD1 4.09Å; V432-L460 HydrophobicContact CG2-CB 4.23Å; V432-L460 HydrophobicContact CG2-CD2 4.18Å; F449-L460 HydrophobicContact CB-CD2 4.07Å; F449-L460 HydrophobicContact CD1-CD2 4.35Å; F449-L460 HydrophobicContact CD2-CD2 3.65Å; F449-L460 HydrophobicContact CE2-CD2 4.2Å; F449-L460 HydrophobicContact CG-CD2 3.73Å; F457-L460 HydrophobicContact CB-CB 4.42Å; F457-L460 PolarHBondContact N-O 2.78Å; F457-L460 WeakPolarHBondContact O-CB 3.33Å; F457-L460 PolarHBondContact O-N 3.25Å
461	E	96.3	Very high	91.3	Very high	95 Å²	95	51.1 Å²	51.1	44%	0.444	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.9	176	173.7	156.4	-146.2	0	0	111.2	F374 A375 G455 V456 L459	F374-E461 CarbonylContact C-O 3.48Å; F374-E461 WeakPolarHBondContact CA-O 2.91Å; F374-E461 WeakPolarHBondContact CB-O 3.47Å; F374-E461 WeakPolarHBondContact CD1-O 3.4Å; A375-E461 HydrophobicContact CB-CB 4.04Å; A375-E461 HydrophobicContact CB-CG 4.4Å; A375-E461 PolarHBondContact N-O 2.87Å; G455-E461 WeakPolarHBondContact O-CA 3.32Å; V456-E461 HydrophobicContact CG2-CB 4.24Å; V456-E461 HydrophobicContact CG2-CG 3.94Å; V456-E461 WeakPolarHBondContact CG2-OE1 3.41Å; L459-E461 PolarHBondContact O-N 2.88Å
462	R	96	Very high	90.9	Very high	57 Å²	57	55.9 Å²	55.9	22%	0.215	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-76.3	122.8	173.8	-178.2	-171.8	67.4	-149.5	-15.7	109.1	F374 M450 S452 G455	F374-R462 HydrophobicContact CD1-CB 4.27Å; F374-R462 HydrophobicContact CE1-CB 4.19Å; M450-R462 HydrophobicContact CE-CG 4.15Å; M450-R462 PolarHBondContact O-NH1 3.13Å; M450-R462 HydrophobicContact SD-CG 3.87Å; S452-R462 PolarHBondContact O-NH1 3.35Å; G455-R462 PolarHBondContact O-N 3.39Å
463	R	94.1	Very high	90.8	Very high	29 Å²	29	55.5 Å²	55.5	11%	0.109	31%	0.31	C	S	.	.			trans	-54.5	142.3	172.8	-83.4	176.9	-173	-93.8	-11.5	111.7	E370 H371 L373 F374 D465 W466 H469	E370-R463 IonicContact OE2-CZ 3.83Å; E370-R463 IonicContact OE2-NH1 2.66Å; E370-R463 PolarHBondContact OE2-NH1 2.98Å; E370-R463 IonicContact OE2-NH2 2.67Å; E370-R463 PolarHBondContact OE2-NH2 3.09Å; H371-R463 PolarHBondContact O-NE 3.02Å; H371-R463 VanDerWaalsContact O-NE 3.13Å; L373-R463 PolarHBondContact O-N 2.68Å; F374-R463 PolarHBondContact O-NE 2.89Å; R463-D465 WeakPolarHBondContact CB-OD1 3.36Å; R463-W466 HydrophobicContact CB-CB 3.88Å; R463-W466 VanDerWaalsContact O-CD1 3.3Å; R463-H469 PolarHBondContact NH1-CE1 2.9Å
464	S	90.9	Very high	90.8	Very high	119 Å²	119	50 Å²	50	83%	0.832	27%	0.273	S	S	*	.	S	Bend	trans	-73.6	-36.7	173.4	42.4	0	0	0	0	111.9
465	D	91.4	Very high	90.2	Very high	60 Å²	60	45.4 Å²	45.4	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-93.9	12.5	-178.5	63.8	-24.7	0	0	0	113.6	R463 P467 D468 H469	R463-D465 WeakPolarHBondContact CB-OD1 3.36Å; D465-P467 VanDerWaalsContact C-N 3.28Å; D465-P467 WeakPolarHBondContact O-CD 3.36Å; D465-P467 VanDerWaalsContact O-N 3.12Å; D465-D468 PolarHBondContact O-N 3.16Å; D465-D468 VanDerWaalsContact O-N 3.15Å; D465-H469 PolarHBondContact O-N 3.18Å; D465-H469 IonicContact OD2-CD2 3.77Å; D465-H469 PolarHBondContact OD2-CD2 3.17Å; D465-H469 IonicContact OD2-NE2 3.27Å
466	W	92.3	Very high	88.9	Confident	19 Å²	19	47.9 Å²	47.9	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-50.8	-33.3	179.8	82.9	-94.8	0	0	0	115.8	L373 M450 R463 L470 P490	L373-W466 HydrophobicContact CD2-CD2 4.3Å; L373-W466 HydrophobicContact CD2-CE3 3.51Å; L373-W466 HydrophobicContact CD2-CZ3 4.11Å; M450-W466 HydrophobicContact CE-CD2 3.51Å; M450-W466 HydrophobicContact CE-CE3 3.91Å; M450-W466 HydrophobicContact CE-CG 3.87Å; M450-W466 HydrophobicContact CE-CH2 4.37Å; M450-W466 HydrophobicContact CE-CZ2 4.03Å; M450-W466 HydrophobicContact CE-CZ3 4.31Å; R463-W466 HydrophobicContact CB-CB 3.88Å; R463-W466 VanDerWaalsContact O-CD1 3.3Å; W466-L470 HydrophobicContact CE3-CB 4.44Å; W466-L470 HydrophobicContact CE3-CD2 4.2Å; W466-L470 HydrophobicContact CZ3-CD2 3.85Å; W466-L470 WeakPolarHBondContact O-CB 3.23Å; W466-L470 PolarHBondContact O-N 3.22Å; W466-P490 HydrophobicContact CH2-CB 3.62Å; W466-P490 HydrophobicContact CH2-CG 4.32Å; W466-P490 HydrophobicContact CZ3-CB 3.86Å; W466-P490 HydrophobicContact CZ3-CG 4.04Å
467	P	89.5	Confident	87.1	Confident	20 Å²	20	47.6 Å²	47.6	13%	0.13	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-44.9	-179.9	-20.7	34.7	0	0	0	111.1	D465 Q471 P489 P490	D465-P467 VanDerWaalsContact C-N 3.28Å; D465-P467 WeakPolarHBondContact O-CD 3.36Å; D465-P467 VanDerWaalsContact O-N 3.12Å; P467-Q471 VanDerWaalsContact O-CB 3.29Å; P467-Q471 WeakPolarHBondContact O-CB 3.13Å; P467-Q471 PolarHBondContact O-N 2.93Å; P467-Q471 VanDerWaalsContact O-N 3.08Å; P467-P489 HydrophobicContact CB-CB 3.68Å; P467-P490 HydrophobicContact CB-CG 4.42Å
468	D	86.8	Confident	85	Confident	83 Å²	83	53 Å²	53	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-76.6	-40.8	-177.7	-50.1	-57.5	0	0	0	110.7	D465 L470 Q471 L472	D465-D468 PolarHBondContact O-N 3.16Å; D465-D468 VanDerWaalsContact O-N 3.15Å; D468-L470 PolarHBondContact O-N 3.03Å; D468-Q471 WeakPolarHBondContact O-CB 3.31Å; D468-Q471 PolarHBondContact O-N 3Å; D468-L472 WeakPolarHBondContact O-CG 3.4Å; D468-L472 PolarHBondContact O-N 2.69Å
469	H	88.9	Confident	83.1	Confident	55 Å²	55	57.4 Å²	57.4	26%	0.255	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-45.1	173.2	-115.2	-104	0	0	0	112	E370 R463 D465 Q471 F473	E370-H469 IonicContact OE2-CE1 2.89Å; R463-H469 PolarHBondContact NH1-CE1 2.9Å; D465-H469 PolarHBondContact O-N 3.18Å; D465-H469 IonicContact OD2-CD2 3.77Å; D465-H469 PolarHBondContact OD2-CD2 3.17Å; D465-H469 IonicContact OD2-NE2 3.27Å; H469-Q471 VanDerWaalsContact C-N 3.32Å; H469-Q471 PolarHBondContact O-N 3.2Å; H469-F473 WeakPolarHBondContact O-CB 3.41Å; H469-F473 PolarHBondContact O-N 2.71Å
470	L	90.4	Very high	81.4	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-39.5	175.1	-177.8	68.6	0	0	0	111.5	P372 L373 F386 W466 D468 F473 F474 P490	P372-L470 HydrophobicContact CB-CD1 4.11Å; P372-L470 HydrophobicContact CG-CD1 4.38Å; L373-L470 HydrophobicContact CD2-CB 4.31Å; L373-L470 HydrophobicContact CD2-CD1 4.05Å; L373-L470 HydrophobicContact CD2-CD2 4.08Å; L373-L470 HydrophobicContact CD2-CG 4.38Å; F386-L470 HydrophobicContact CE1-CD1 3.64Å; F386-L470 HydrophobicContact CZ-CD1 3.88Å; W466-L470 HydrophobicContact CE3-CB 4.44Å; W466-L470 HydrophobicContact CE3-CD2 4.2Å; W466-L470 HydrophobicContact CZ3-CD2 3.85Å; W466-L470 WeakPolarHBondContact O-CB 3.23Å; W466-L470 PolarHBondContact O-N 3.22Å; D468-L470 PolarHBondContact O-N 3.03Å; L470-F473 WeakPolarHBondContact O-CB 3.23Å; L470-F473 PolarHBondContact O-N 2.91Å; L470-F474 HydrophobicContact CD1-CD2 4.26Å; L470-F474 HydrophobicContact CD1-CE2 3.9Å; L470-F474 WeakPolarHBondContact O-CD2 3.33Å; L470-F474 PolarHBondContact O-N 3.27Å; L470-P490 HydrophobicContact CD2-CG 4.26Å
471	Q	84.3	Confident	80.2	Confident	22 Å²	22	64.9 Å²	64.9	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-47.2	-179.8	-177.7	141.9	69.2	0	0	111.9	P467 D468 H469 F473 F474 A475 L487 Y488	P467-Q471 VanDerWaalsContact O-CB 3.29Å; P467-Q471 WeakPolarHBondContact O-CB 3.13Å; P467-Q471 PolarHBondContact O-N 2.93Å; P467-Q471 VanDerWaalsContact O-N 3.08Å; D468-Q471 WeakPolarHBondContact O-CB 3.31Å; D468-Q471 PolarHBondContact O-N 3Å; H469-Q471 VanDerWaalsContact C-N 3.32Å; H469-Q471 PolarHBondContact O-N 3.2Å; Q471-F473 VanDerWaalsContact C-N 3.27Å; Q471-F473 PolarHBondContact O-N 2.94Å; Q471-F474 PolarHBondContact O-N 2.91Å; Q471-A475 PolarHBondContact O-N 2.99Å; Q471-A475 VanDerWaalsContact O-N 3.13Å; Q471-L487 HydrophobicContact CG-CB 3.99Å; Q471-L487 HydrophobicContact CG-CD1 4.05Å; Q471-L487 HydrophobicContact CG-CD2 3.92Å; Q471-L487 HydrophobicContact CG-CG 4.19Å; Q471-Y488 PolarHBondContact NE2-O 2.91Å; Q471-Y488 PolarHBondContact OE1-O 2.83Å; Q471-Y488 VanDerWaalsContact OE1-O 3.08Å
472	L	83.8	Confident	79.5	Confident	119 Å²	119	63.1 Å²	63.1	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-61.1	-34.2	172.2	-69.6	171.5	0	0	0	112.3	D468 F474 A475	D468-L472 WeakPolarHBondContact O-CG 3.4Å; D468-L472 PolarHBondContact O-N 2.69Å; L472-F474 PolarHBondContact O-N 3.33Å; L472-A475 PolarHBondContact O-N 3.36Å; L472-A475 VanDerWaalsContact O-N 3.15Å
473	F	88.5	Confident	78.6	Confident	14 Å²	14	67.3 Å²	67.3	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-60.3	-31	178	-161.8	-89.3	0	0	0	113.5	P372 M378 K383 F386 L387 H469 L470 Q471	P372-F473 HydrophobicContact CB-CB 4.14Å; P372-F473 HydrophobicContact CB-CD2 3.85Å; P372-F473 HydrophobicContact CB-CE2 4.37Å; P372-F473 HydrophobicContact CB-CG 4.02Å; P372-F473 HydrophobicContact CG-CD1 4.41Å; P372-F473 HydrophobicContact CG-CD2 3.91Å; P372-F473 HydrophobicContact CG-CE1 4.47Å; P372-F473 HydrophobicContact CG-CE2 3.97Å; P372-F473 HydrophobicContact CG-CG 4.12Å; P372-F473 HydrophobicContact CG-CZ 4.24Å; M378-F473 HydrophobicContact CE-CZ 4.41Å; M378-F473 HydrophobicContact SD-CE2 3.83Å; M378-F473 HydrophobicContact SD-CZ 3.57Å; M378-F473 VanDerWaalsContact SD-CZ 3.57Å; K383-F473 HydrophobicContact CB-CE1 4.4Å; K383-F473 HydrophobicContact CB-CE2 4.45Å; K383-F473 HydrophobicContact CB-CZ 3.69Å; K383-F473 HydrophobicContact CD-CE1 4.1Å; K383-F473 HydrophobicContact CD-CE2 3.95Å; K383-F473 HydrophobicContact CD-CZ 3.67Å; K383-F473 HydrophobicContact CG-CE1 3.8Å; K383-F473 HydrophobicContact CG-CE2 4.24Å; K383-F473 HydrophobicContact CG-CZ 3.47Å; K383-F473 VanDerWaalsContact CG-CZ 3.47Å; F386-F473 HydrophobicContact CB-CE1 4.17Å; F386-F473 HydrophobicContact CB-CZ 4.46Å; F386-F473 HydrophobicContact CD1-CD1 4Å; F386-F473 AromaticContact CD1-CE1 3.59Å; F386-F473 HydrophobicContact CD1-CE1 3.59Å; F386-F473 HydrophobicContact CD1-CZ 4.32Å; F386-F473 HydrophobicContact CE1-CD1 4.37Å; F386-F473 HydrophobicContact CE1-CE1 4.34Å; F386-F473 HydrophobicContact CG-CE1 4.16Å; L387-F473 HydrophobicContact CD2-CD1 3.85Å; L387-F473 HydrophobicContact CD2-CE1 3.95Å; L387-F473 HydrophobicContact CG-CE1 4.13Å; H469-F473 WeakPolarHBondContact O-CB 3.41Å; H469-F473 PolarHBondContact O-N 2.71Å; L470-F473 WeakPolarHBondContact O-CB 3.23Å; L470-F473 PolarHBondContact O-N 2.91Å; Q471-F473 VanDerWaalsContact C-N 3.27Å; Q471-F473 PolarHBondContact O-N 2.94Å
474	F	85.9	Confident	77.4	Confident	15 Å²	15	70.1 Å²	70.1	7%	0.066	38%	0.379	C	S	.	.	H	α-helix	trans	-97.6	-9.9	176.4	-78.1	-81.9	0	0	0	114.2	F386 L387 A390 Y391 L470 Q471 L472 N476 R668	F386-F474 HydrophobicContact CD1-CE2 4.32Å; F386-F474 HydrophobicContact CD1-CZ 4.27Å; F386-F474 AromaticContact CE1-CE2 3.97Å; F386-F474 HydrophobicContact CE1-CE2 3.97Å; F386-F474 HydrophobicContact CE1-CZ 4.28Å; L387-F474 HydrophobicContact CB-CE1 4.4Å; L387-F474 HydrophobicContact CD2-CD1 3.5Å; L387-F474 HydrophobicContact CD2-CE1 3.49Å; L387-F474 VanDerWaalsContact CD2-CE1 3.49Å; L387-F474 HydrophobicContact CD2-CG 4.12Å; L387-F474 HydrophobicContact CD2-CZ 4.08Å; A390-F474 HydrophobicContact CB-CZ 4.37Å; Y391-F474 HydrophobicContact CD2-CE1 4.05Å; Y391-F474 HydrophobicContact CD2-CE2 4.29Å; Y391-F474 AromaticContact CD2-CZ 3.76Å; Y391-F474 HydrophobicContact CD2-CZ 3.76Å; Y391-F474 HydrophobicContact CE2-CD1 4.3Å; Y391-F474 AromaticContact CE2-CD2 3.96Å; Y391-F474 HydrophobicContact CE2-CD2 3.96Å; Y391-F474 AromaticContact CE2-CE1 3.8Å; Y391-F474 HydrophobicContact CE2-CE1 3.8Å; Y391-F474 AromaticContact CE2-CE2 3.42Å; Y391-F474 HydrophobicContact CE2-CE2 3.42Å; Y391-F474 VanDerWaalsContact CE2-CE2 3.42Å; Y391-F474 HydrophobicContact CE2-CG 4.38Å; Y391-F474 AromaticContact CE2-CZ 3.34Å; Y391-F474 HydrophobicContact CE2-CZ 3.34Å; Y391-F474 AromaticContact CZ-CE2 3.93Å; L470-F474 HydrophobicContact CD1-CD2 4.26Å; L470-F474 HydrophobicContact CD1-CE2 3.9Å; L470-F474 WeakPolarHBondContact O-CD2 3.33Å; L470-F474 PolarHBondContact O-N 3.27Å; Q471-F474 PolarHBondContact O-N 2.91Å; L472-F474 PolarHBondContact O-N 3.33Å; F474-N476 PolarHBondContact O-N 3.4Å; F474-R668 HydrophobicContact CD1-CB 4.2Å; F474-R668 HydrophobicContact CE1-CB 4.11Å
475	A	74.3	Confident	76.6	Confident	32 Å²	32	66.6 Å²	66.6	26%	0.264	35%	0.353	S	S	.	.			trans	-78.3	63.7	-178.1	0	0	0	0	0	112.6	Q471 L472 N477	Q471-A475 PolarHBondContact O-N 2.99Å; Q471-A475 VanDerWaalsContact O-N 3.13Å; L472-A475 PolarHBondContact O-N 3.36Å; L472-A475 VanDerWaalsContact O-N 3.15Å; A475-N477 PolarHBondContact O-N 3.41Å
476	N	61.1	Low	76	Confident	74 Å²	74	68.8 Å²	68.8	40%	0.396	36%	0.359	S	S	.	.			trans	-84.6	53.2	-173.2	-138	72.1	0	0	0	112.1	F474 H478	F474-N476 PolarHBondContact O-N 3.4Å; N476-H478 VanDerWaalsContact C-N 3.25Å; N476-H478 PolarHBondContact O-N 3.09Å
477	N	56.9	Low	75.6	Confident	52 Å²	52	71.8 Å²	71.8	28%	0.278	38%	0.377	S	S	.	.			trans	-81.8	45.8	-168	-65.3	12.4	0	0	0	113.8	A475 D479 Q480	A475-N477 PolarHBondContact O-N 3.41Å; N477-D479 VanDerWaalsContact C-N 3.3Å; N477-D479 PolarHBondContact O-N 2.99Å; N477-Q480 HydrophobicContact CB-CG 4.23Å; N477-Q480 PolarHBondContact ND2-NE2 3.45Å; N477-Q480 PolarHBondContact ND2-OE1 3.38Å
478	H	49.9	Very low	75.6	Confident	150 Å²	150	71.7 Å²	71.7	69%	0.694	37%	0.374	S	S	*	.	S	Bend	trans	-72.1	-16.5	-173	-69.7	-58.4	0	0	0	115.3	N476	N476-H478 VanDerWaalsContact C-N 3.25Å; N476-H478 PolarHBondContact O-N 3.09Å
479	D	53.3	Low	75.7	Confident	143 Å²	143	70.9 Å²	70.9	77%	0.765	37%	0.373	S	S	*	.	S	Bend	trans	-132.5	63.6	-174.9	-54.6	-75.4	0	0	0	111.5	N477	N477-D479 VanDerWaalsContact C-N 3.3Å; N477-D479 PolarHBondContact O-N 2.99Å
480	Q	58.3	Low	75.8	Confident	67 Å²	67	68.7 Å²	68.7	31%	0.313	36%	0.364	S	S	.	.			trans	-120	119.6	179.7	-68.5	-172.6	-14.6	0	0	112.7	N477 F482	N477-Q480 HydrophobicContact CB-CG 4.23Å; N477-Q480 PolarHBondContact ND2-NE2 3.45Å; N477-Q480 PolarHBondContact ND2-OE1 3.38Å; Q480-F482 PolarHBondContact O-N 2.88Å
481	D	72.3	Confident	75.9	Confident	134 Å²	134	70 Å²	70	72%	0.717	37%	0.371	S	S	*	.	S	Bend	trans	-78.4	8.4	170.2	-46.5	-81.6	0	0	0	113	N641	D481-N641 PolarHBondContact OD2-ND2 3.18Å
482	F	81.3	Confident	76.1	Confident	58 Å²	58	73.5 Å²	73.5	25%	0.254	39%	0.391	S	S	.	.	S	Bend	trans	-140.6	156.8	-168	-59.3	-84.7	0	0	0	109.9	Q480 R636 E639	Q480-F482 PolarHBondContact O-N 2.88Å; F482-R636 HydrophobicContact CE1-CG 4.49Å; F482-R636 HydrophobicContact CZ-CG 4.27Å; F482-E639 WeakPolarHBondContact CB-O 3.3Å
483	D	75.9	Confident	76.3	Confident	146 Å²	146	68.6 Å²	68.6	78%	0.781	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-60.5	145.9	174.5	-70.2	-51.7	0	0	0	112
484	P	69.5	Low	76.2	Confident	87 Å²	87	75.9 Å²	75.9	57%	0.565	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-62.5	130.8	179.3	25.4	-34	0	0	0	110.6
485	P	73.1	Confident	76.5	Confident	45 Å²	45	82.3 Å²	82.3	29%	0.292	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-64.9	149.5	-174.5	26.8	-35.7	0	0	0	111.6	L487 N662	P485-L487 WeakPolarHBondContact O-CG 3.33Å; P485-L487 PolarHBondContact O-N 2.84Å; P485-N662 HydrophobicContact CB-CB 4.24Å
486	K	80.7	Confident	77.5	Confident	106 Å²	106	81.6 Å²	81.6	46%	0.461	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-51.2	117.2	179.3	-178.3	173.8	179	176.9	0	110.9	Y488 D613	K486-Y488 HydrophobicContact CD-CE1 3.96Å; K486-Y488 HydrophobicContact CG-CE1 4.31Å; K486-Y488 HydrophobicContact CG-CE2 4.41Å; K486-Y488 WeakPolarHBondContact O-CE2 2.97Å; K486-D613 IonicContact NZ-OD1 3.37Å; K486-D613 PolarHBondContact NZ-OD1 3.16Å
487	L	82.6	Confident	79.2	Confident	83 Å²	83	87.3 Å²	87.3	44%	0.435	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-86.2	138	177.1	-68.1	177	0	0	0	109.1	Q471 P485	Q471-L487 HydrophobicContact CG-CB 3.99Å; Q471-L487 HydrophobicContact CG-CD1 4.05Å; Q471-L487 HydrophobicContact CG-CD2 3.92Å; Q471-L487 HydrophobicContact CG-CG 4.19Å; P485-L487 WeakPolarHBondContact O-CG 3.33Å; P485-L487 PolarHBondContact O-N 2.84Å
488	Y	89	Confident	81.1	Confident	18 Å²	18	87 Å²	87	7%	0.071	44%	0.435	C	S	.	.			trans	-121	128.6	179	-59.5	-87.1	0	0	0	109.6	Q471 K486 R614 P615 F616 F617 Y773	Q471-Y488 PolarHBondContact NE2-O 2.91Å; Q471-Y488 PolarHBondContact OE1-O 2.83Å; Q471-Y488 VanDerWaalsContact OE1-O 3.08Å; K486-Y488 HydrophobicContact CD-CE1 3.96Å; K486-Y488 HydrophobicContact CG-CE1 4.31Å; K486-Y488 HydrophobicContact CG-CE2 4.41Å; K486-Y488 WeakPolarHBondContact O-CE2 2.97Å; Y488-R614 WeakPolarHBondContact CE1-O 3.45Å; Y488-P615 HydrophobicContact CD1-CB 4.46Å; Y488-P615 HydrophobicContact CG-CB 4.31Å; Y488-F616 VanDerWaalsContact CE2-O 3.24Å; Y488-F616 WeakPolarHBondContact CE2-O 3.32Å; Y488-F617 HydrophobicContact CD2-CE1 4.3Å; Y488-Y773 WeakPolarHBondContact O-CE1 3.43Å; Y488-Y773 PolarHBondContact O-OH 3.48Å
489	P	88.9	Confident	83.4	Confident	66 Å²	66	79.9 Å²	79.9	43%	0.429	40%	0.402	S	S	.	.			trans	-68.8	142.3	179.7	26.9	-34.2	0	0	0	111.8	P467 Y773	P467-P489 HydrophobicContact CB-CB 3.68Å; P489-Y773 WeakPolarHBondContact O-CE1 3.38Å
490	P	91.9	Very high	85.6	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.058	38%	0.376	C	S	.	.			trans	-45.1	137.7	169.4	-34.1	34.8	0	0	0	114.9	W466 P467 L470 D772	W466-P490 HydrophobicContact CH2-CB 3.62Å; W466-P490 HydrophobicContact CH2-CG 4.32Å; W466-P490 HydrophobicContact CZ3-CB 3.86Å; W466-P490 HydrophobicContact CZ3-CG 4.04Å; P467-P490 HydrophobicContact CB-CG 4.42Å; L470-P490 HydrophobicContact CD2-CG 4.26Å; P490-D772 HydrophobicContact CB-CB 4.37Å
491	V	92.3	Very high	87.5	Confident	29 Å²	29	72.5 Å²	72.5	18%	0.176	36%	0.361	C	S	.	.			trans	-86.9	132.8	-175.4	-176.5	0	0	0	0	110.3	K495 R496 P615 D772 Y773	V491-K495 HydrophobicContact CG1-CB 3.84Å; V491-R496 HydrophobicContact CB-CG 4.15Å; V491-R496 HydrophobicContact CG1-CG 4.02Å; V491-R496 PolarHBondContact O-NE 3.44Å; V491-R496 PolarHBondContact O-NH2 3.39Å; V491-P615 HydrophobicContact CG2-CG 3.92Å; V491-D772 PolarHBondContact N-O 3.24Å; V491-Y773 HydrophobicContact CG2-CD1 4.14Å
492	L	87.8	Confident	88.7	Confident	96 Å²	96	66.2 Å²	66.2	50%	0.503	33%	0.327	S	S	.	.			trans	-59.1	140.6	174	-61.2	177.3	0	0	0	111.5	E494 K495 R496	L492-E494 VanDerWaalsContact C-N 3.29Å; L492-E494 PolarHBondContact O-N 2.93Å; L492-E494 VanDerWaalsContact O-N 3.13Å; L492-K495 WeakPolarHBondContact O-CA 3.47Å; L492-K495 PolarHBondContact O-N 2.87Å; L492-R496 PolarHBondContact O-N 3.39Å
493	V	88.4	Confident	89.6	Confident	16 Å²	16	63.5 Å²	63.5	10%	0.097	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-55.2	-37.1	-167.8	-64.8	0	0	0	0	114.8	N418 C419 C451 K495 R496	N418-V493 HydrophobicContact CB-CB 4.47Å; N418-V493 PolarHBondContact ND2-O 3.39Å; C419-V493 HydrophobicContact CB-CG1 3.93Å; C451-V493 HydrophobicContact CB-CG2 4.36Å; V493-K495 VanDerWaalsContact C-N 3.3Å; V493-K495 PolarHBondContact O-N 3.43Å; V493-R496 PolarHBondContact O-N 3.12Å
494	E	87.6	Confident	90.7	Very high	167 Å²	167	56.6 Å²	56.6	78%	0.78	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-70.2	-22.7	176.7	-62.5	173.8	-159.6	0	0	113.8	L492	L492-E494 VanDerWaalsContact C-N 3.29Å; L492-E494 PolarHBondContact O-N 2.93Å; L492-E494 VanDerWaalsContact O-N 3.13Å
495	K	91.8	Very high	92	Very high	150 Å²	150	54 Å²	54	65%	0.652	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-97.2	-8.4	-178.9	-63.6	-176.7	-179.5	179.2	0	112.9	V491 L492 V493	V491-K495 HydrophobicContact CG1-CB 3.84Å; L492-K495 WeakPolarHBondContact O-CA 3.47Å; L492-K495 PolarHBondContact O-N 2.87Å; V493-K495 VanDerWaalsContact C-N 3.3Å; V493-K495 PolarHBondContact O-N 3.43Å
496	R	95.1	Very high	93.2	Very high	18 Å²	18	52.3 Å²	52.3	7%	0.068	25%	0.247	C	C	.	.			trans	-63.5	134.3	178.2	-69.4	179.2	-172.6	-170.2	-10	110.2	N418 V491 L492 V493 K771 D772	N418-R496 HydrophobicContact CB-CB 4.2Å; N418-R496 PolarHBondContact O-NH1 3.03Å; V491-R496 HydrophobicContact CB-CG 4.15Å; V491-R496 HydrophobicContact CG1-CG 4.02Å; V491-R496 PolarHBondContact O-NE 3.44Å; V491-R496 PolarHBondContact O-NH2 3.39Å; L492-R496 PolarHBondContact O-N 3.39Å; V493-R496 PolarHBondContact O-N 3.12Å; R496-K771 PolarHBondContact NH1-O 3.21Å; R496-D772 IonicContact CZ-OD1 2.78Å; R496-D772 IonicContact NH1-OD1 3.3Å; R496-D772 VanDerWaalsContact NH2-CA 3.35Å; R496-D772 PolarHBondContact NH2-O 3.41Å; R496-D772 IonicContact NH2-OD1 3.49Å; R496-D772 PolarHBondContact NH2-OD1 3.37Å
497	R	95.8	Very high	94	Very high	193 Å²	193	48 Å²	48	73%	0.728	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-124.3	157.1	178.8	-65.4	-178	-177.9	-177	-0.1	110.1	F774 A775	R497-F774 CarbonylContact O-C 2.99Å; R497-F774 WeakPolarHBondContact O-CA 3.24Å; R497-F774 WeakPolarHBondContact O-CB 3.5Å; R497-A775 VanDerWaalsContact C-CB 3.47Å; R497-A775 PolarHBondContact O-N 2.96Å
498	P	97.5	Very high	94.7	Very high	46 Å²	46	44.1 Å²	44.1	30%	0.299	21%	0.211	S	C	.	.			trans	-56.3	145.1	172.9	-26	36	0	0	0	112	Q521 D523 A775	P498-Q521 CarbonylContact C-O 3.4Å; P498-Q521 WeakPolarHBondContact CA-O 3.42Å; P498-Q521 HydrophobicContact CB-CB 3.85Å; P498-Q521 WeakPolarHBondContact CB-O 3.42Å; P498-Q521 HydrophobicContact CG-CB 3.96Å; P498-D523 HydrophobicContact CB-CB 3.9Å; P498-A775 HydrophobicContact CG-CB 4.29Å
499	I	98.4	Very high	95.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	143.9	-177.7	-160.8	171.7	0	0	0	111.4	V501 L515 I520 Q521 V522 D523 D567 L568 L770 F774	I499-V501 HydrophobicContact CG1-CG2 4.28Å; I499-V501 HydrophobicContact CG2-CG2 3.96Å; I499-L515 HydrophobicContact CG2-CD1 4.46Å; I499-I520 HydrophobicContact CB-CG2 4.27Å; I499-I520 HydrophobicContact CG2-CG2 3.76Å; I499-Q521 PolarHBondContact N-O 3.05Å; I499-V522 HydrophobicContact CG2-CB 4.32Å; I499-V522 HydrophobicContact CG2-CG1 4.42Å; I499-V522 HydrophobicContact CG2-CG2 3.83Å; I499-D523 PolarHBondContact O-N 2.92Å; I499-D567 HydrophobicContact CG1-CB 4.2Å; I499-L568 HydrophobicContact CD1-CB 3.8Å; I499-L568 HydrophobicContact CD1-CD2 3.81Å; I499-L568 HydrophobicContact CD1-CG 4.43Å; I499-L568 HydrophobicContact CG1-CB 4.21Å; I499-L770 HydrophobicContact CD1-CD1 4.25Å; I499-F774 HydrophobicContact CB-CB 4.14Å; I499-F774 HydrophobicContact CB-CD1 3.74Å; I499-F774 HydrophobicContact CB-CD2 4.3Å; I499-F774 HydrophobicContact CB-CE1 4.28Å; I499-F774 HydrophobicContact CB-CG 3.76Å; I499-F774 HydrophobicContact CD1-CD1 4.39Å; I499-F774 HydrophobicContact CD1-CD2 3.64Å; I499-F774 HydrophobicContact CD1-CE1 4.44Å; I499-F774 HydrophobicContact CD1-CE2 3.7Å; I499-F774 HydrophobicContact CD1-CG 4.02Å; I499-F774 HydrophobicContact CD1-CZ 4.12Å; I499-F774 HydrophobicContact CG1-CD1 3.81Å; I499-F774 HydrophobicContact CG1-CD2 3.99Å; I499-F774 HydrophobicContact CG1-CE1 3.85Å; I499-F774 HydrophobicContact CG1-CE2 4.03Å; I499-F774 HydrophobicContact CG1-CG 3.89Å; I499-F774 HydrophobicContact CG1-CZ 3.97Å
500	R	98.6	Very high	95.6	Very high	56 Å²	56	40.2 Å²	40.2	21%	0.211	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.4	172.4	-62.6	163.4	-64.2	168.1	7.4	110.1	D523 R524 P565 D567 L568	R500-D523 WeakPolarHBondContact CD-OD2 3.31Å; R500-D523 HydrophobicContact CG-CB 4.04Å; R500-D523 VanDerWaalsContact CG-OD2 3.26Å; R500-D523 WeakPolarHBondContact CG-OD2 3.5Å; R500-R524 WeakPolarHBondContact CA-O 3.34Å; R500-R524 HydrophobicContact CB-CB 4.42Å; R500-R524 HydrophobicContact CG-CB 4.2Å; R500-P565 WeakPolarHBondContact CD-O 3.47Å; R500-P565 PolarHBondContact NE-O 2.85Å; R500-P565 PolarHBondContact NH1-O 3.01Å; R500-D567 WeakPolarHBondContact CB-OD2 3.43Å; R500-D567 IonicContact CZ-OD1 2.75Å; R500-D567 IonicContact CZ-OD2 2.98Å; R500-D567 PolarHBondContact N-OD2 2.94Å; R500-D567 VanDerWaalsContact N-OD2 3.14Å; R500-D567 IonicContact NE-OD1 3.14Å; R500-D567 IonicContact NE-OD2 2.79Å; R500-D567 PolarHBondContact NE-OD2 3.06Å; R500-D567 VanDerWaalsContact NH2-CG 3.32Å; R500-D567 IonicContact NH2-OD1 2.7Å; R500-D567 PolarHBondContact NH2-OD1 3.23Å; R500-D567 IonicContact NH2-OD2 3.41Å; R500-D567 PolarHBondContact NH2-OD2 3.15Å; R500-D567 VanDerWaalsContact NH2-OD2 3.17Å; R500-D567 PolarHBondContact O-N 3.02Å; R500-L568 PolarHBondContact O-N 2.98Å; R500-L568 VanDerWaalsContact O-N 3.14Å
501	V	98.8	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.8	-166.1	-168.8	0	0	0	0	111.4	I499 L515 V522 R524 Y525 V526 L568 I570	I499-V501 HydrophobicContact CG1-CG2 4.28Å; I499-V501 HydrophobicContact CG2-CG2 3.96Å; V501-L515 HydrophobicContact CG2-CD1 3.74Å; V501-V522 HydrophobicContact CG2-CG1 4.41Å; V501-R524 PolarHBondContact N-O 3.47Å; V501-Y525 HydrophobicContact CB-CD2 3.61Å; V501-Y525 HydrophobicContact CB-CE2 4.06Å; V501-Y525 HydrophobicContact CB-CG 4.36Å; V501-Y525 HydrophobicContact CG1-CD2 3.83Å; V501-Y525 HydrophobicContact CG1-CE2 3.72Å; V501-Y525 HydrophobicContact CG2-CD2 4.01Å; V501-Y525 HydrophobicContact CG2-CE2 4.5Å; V501-V526 PolarHBondContact O-N 3.26Å; V501-L568 WeakPolarHBondContact CA-O 3.4Å; V501-L568 HydrophobicContact CG1-CB 4.43Å; V501-L568 HydrophobicContact CG1-CD2 4.16Å; V501-L568 HydrophobicContact CG1-CG 4.21Å; V501-L568 HydrophobicContact CG2-CB 4.37Å; V501-L568 HydrophobicContact CG2-CD2 4.24Å; V501-I570 HydrophobicContact CG1-CD1 4.08Å; V501-I570 HydrophobicContact CG1-CG1 4.29Å
502	L	98.8	Very high	96.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.3	164.6	-180	64.8	0	0	0	108.5	L504 V526 I560 F566 L568 V569 I570	L502-L504 HydrophobicContact CD1-CD2 3.94Å; L502-L504 HydrophobicContact CD2-CD2 4.28Å; L502-L504 HydrophobicContact CG-CD2 3.89Å; L502-L504 HydrophobicContact CG-CG 4.22Å; L502-V526 HydrophobicContact CD1-CB 4.12Å; L502-V526 HydrophobicContact CD1-CG1 4.08Å; L502-I560 HydrophobicContact CD1-CD1 4.43Å; L502-I560 HydrophobicContact CD2-CD1 3.69Å; L502-F566 HydrophobicContact CB-CB 4.49Å; L502-F566 HydrophobicContact CB-CD1 3.76Å; L502-F566 HydrophobicContact CB-CD2 4.16Å; L502-F566 HydrophobicContact CB-CE1 3.9Å; L502-F566 HydrophobicContact CB-CE2 4.31Å; L502-F566 HydrophobicContact CB-CG 3.88Å; L502-F566 HydrophobicContact CB-CZ 4.17Å; L502-F566 HydrophobicContact CD1-CE1 4.45Å; L502-F566 HydrophobicContact CD1-CE2 4.4Å; L502-F566 HydrophobicContact CD1-CZ 4.09Å; L502-F566 HydrophobicContact CD2-CD2 4.34Å; L502-F566 HydrophobicContact CD2-CE2 4.32Å; L502-L568 PolarHBondContact N-O 3.18Å; L502-V569 HydrophobicContact CB-CG2 4.32Å; L502-V569 HydrophobicContact CD2-CG1 4.27Å; L502-V569 HydrophobicContact CD2-CG2 4.46Å; L502-V569 WeakPolarHBondContact O-CA 3.46Å; L502-I570 PolarHBondContact O-N 2.66Å
503	S	98.7	Very high	96.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.4	177.4	-171	0	0	0	0	110.2	D506 Y525 V526 A527 S528 I570	S503-D506 VanDerWaalsContact CB-OD1 3.27Å; S503-D506 WeakPolarHBondContact CB-OD1 3.31Å; S503-D506 WeakPolarHBondContact OG-CB 3.4Å; S503-D506 PolarHBondContact OG-OD1 2.92Å; S503-Y525 PolarHBondContact OG-OH 2.97Å; S503-V526 PolarHBondContact N-O 3.29Å; S503-A527 CarbonylContact O-C 3.52Å; S503-A527 VanDerWaalsContact O-CA 3.31Å; S503-A527 WeakPolarHBondContact O-CA 3.46Å; S503-S528 PolarHBondContact O-N 3Å; S503-I570 WeakPolarHBondContact CA-O 3.4Å
504	L	98.5	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.3	-177.4	-55.4	-179.3	0	0	0	108.9	L502 V552 I570 G571 F599 L602	L502-L504 HydrophobicContact CD1-CD2 3.94Å; L502-L504 HydrophobicContact CD2-CD2 4.28Å; L502-L504 HydrophobicContact CG-CD2 3.89Å; L502-L504 HydrophobicContact CG-CG 4.22Å; L504-V552 HydrophobicContact CD2-CG2 4.16Å; L504-I570 PolarHBondContact N-O 2.86Å; L504-G571 WeakPolarHBondContact O-CA 3.44Å; L504-F599 HydrophobicContact CB-CD2 4.38Å; L504-F599 HydrophobicContact CD1-CD2 3.91Å; L504-L602 HydrophobicContact CD1-CB 3.85Å; L504-L602 HydrophobicContact CD1-CD1 3.87Å; L504-L602 HydrophobicContact CD1-CG 4.49Å; L504-L602 HydrophobicContact CD2-CD1 3.95Å
505	F	98.1	Very high	97.6	Very high	34 Å²	34	26 Å²	26	15%	0.149	12%	0.116	C	C	.	.	S	Bend	trans	61.7	46.2	-167.8	-35.3	-72.9	0	0	0	111.3	G507 S528 V552 G572 L595 F599	F505-G507 PolarHBondContact O-N 3.34Å; F505-G507 VanDerWaalsContact O-N 3.1Å; F505-S528 WeakPolarHBondContact CA-O 3.43Å; F505-S528 PolarHBondContact N-O 2.77Å; F505-V552 HydrophobicContact CE1-CB 4.22Å; F505-V552 HydrophobicContact CE1-CG1 3.67Å; F505-V552 HydrophobicContact CZ-CB 4.34Å; F505-V552 HydrophobicContact CZ-CG1 3.82Å; F505-V552 HydrophobicContact CZ-CG2 4.33Å; F505-G572 WeakPolarHBondContact CB-O 3.45Å; F505-L595 HydrophobicContact CE1-CB 3.87Å; F505-L595 HydrophobicContact CE1-CD1 4.11Å; F505-L595 HydrophobicContact CE1-CD2 4.33Å; F505-L595 HydrophobicContact CE1-CG 4.33Å; F505-L595 HydrophobicContact CZ-CB 3.7Å; F505-L595 WeakPolarHBondContact CZ-O 3.43Å; F505-F599 HydrophobicContact CE2-CB 4.34Å
506	D	97.8	Very high	97.8	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.048	10%	0.1	C	C	.	.			trans	-57.9	-26.5	-168.9	-175.7	59.8	0	0	0	114.5	S503 I508 A509 Y525 A527 S528 Y548	S503-D506 VanDerWaalsContact CB-OD1 3.27Å; S503-D506 WeakPolarHBondContact CB-OD1 3.31Å; S503-D506 WeakPolarHBondContact OG-CB 3.4Å; S503-D506 PolarHBondContact OG-OD1 2.92Å; D506-I508 PolarHBondContact O-N 3.14Å; D506-A509 PolarHBondContact O-N 2.89Å; D506-A509 VanDerWaalsContact OD2-CA 3.32Å; D506-A509 WeakPolarHBondContact OD2-CA 3.4Å; D506-Y525 VanDerWaalsContact OD1-CE1 3.3Å; D506-Y525 WeakPolarHBondContact OD1-CE1 3.26Å; D506-Y525 PolarHBondContact OD1-OH 2.89Å; D506-A527 HydrophobicContact CB-CB 3.85Å; D506-S528 PolarHBondContact N-O 3.24Å; D506-S528 VanDerWaalsContact N-O 3.17Å; D506-Y548 PolarHBondContact OD2-OH 3.1Å
507	G	96.8	Very high	97.8	Very high	14 Å²	14	25.3 Å²	25.3	14%	0.144	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-130.5	-176.2	0	0	0	0	0	111	F505 A509 E529 S534	F505-G507 PolarHBondContact O-N 3.34Å; F505-G507 VanDerWaalsContact O-N 3.1Å; G507-A509 PolarHBondContact O-N 3.24Å; G507-A509 VanDerWaalsContact O-N 3.15Å; G507-E529 VanDerWaalsContact CA-OE2 3.22Å; G507-E529 WeakPolarHBondContact CA-OE2 3.41Å; G507-E529 PolarHBondContact N-OE2 2.79Å; G507-S534 WeakPolarHBondContact O-CB 3.27Å
508	I	97.8	Very high	97.8	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	35.4	180	63.2	179.7	0	0	0	113.3	D506 T510 V537 F735 Y739 T740 L753 L754 A757	D506-I508 PolarHBondContact O-N 3.14Å; I508-T510 VanDerWaalsContact C-N 3.32Å; I508-T510 PolarHBondContact O-N 2.75Å; I508-V537 HydrophobicContact CB-CB 4.19Å; I508-V537 HydrophobicContact CB-CG1 3.85Å; I508-V537 HydrophobicContact CG2-CB 3.95Å; I508-V537 HydrophobicContact CG2-CG1 4.06Å; I508-V537 HydrophobicContact CG2-CG2 4.1Å; I508-F735 HydrophobicContact CD1-CD1 4.49Å; I508-F735 HydrophobicContact CD1-CE1 3.85Å; I508-F735 HydrophobicContact CD1-CE2 4.2Å; I508-F735 HydrophobicContact CD1-CZ 3.7Å; I508-F735 HydrophobicContact CG1-CE1 4.14Å; I508-F735 HydrophobicContact CG1-CZ 4.07Å; I508-Y739 HydrophobicContact CB-CE1 4.05Å; I508-Y739 HydrophobicContact CD1-CD1 4.15Å; I508-Y739 HydrophobicContact CD1-CE1 3.99Å; I508-Y739 HydrophobicContact CG1-CE1 4.02Å; I508-Y739 VanDerWaalsContact O-CE1 3.31Å; I508-Y739 WeakPolarHBondContact O-CE1 3.36Å; I508-Y739 PolarHBondContact O-OH 3.12Å; I508-T740 HydrophobicContact CD1-CG2 3.8Å; I508-L753 HydrophobicContact CG2-CB 3.88Å; I508-L753 HydrophobicContact CG2-CD1 3.9Å; I508-L753 HydrophobicContact CG2-CD2 4.08Å; I508-L753 HydrophobicContact CG2-CG 4.18Å; I508-L754 HydrophobicContact CD1-CD2 4.31Å; I508-A757 HydrophobicContact CD1-CB 3.47Å; I508-A757 VanDerWaalsContact CD1-CB 3.47Å; I508-A757 HydrophobicContact CG1-CB 3.53Å
509	A	98	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	34	174.8	0	0	0	0	0	115.9	D506 G507 G511 L512 L513 I546	D506-A509 PolarHBondContact O-N 2.89Å; D506-A509 VanDerWaalsContact OD2-CA 3.32Å; D506-A509 WeakPolarHBondContact OD2-CA 3.4Å; G507-A509 PolarHBondContact O-N 3.24Å; G507-A509 VanDerWaalsContact O-N 3.15Å; A509-G511 PolarHBondContact O-N 3.24Å; A509-G511 VanDerWaalsContact O-N 3.15Å; A509-L512 PolarHBondContact O-N 2.98Å; A509-L512 VanDerWaalsContact O-N 3.08Å; A509-L513 PolarHBondContact O-N 3.37Å; A509-I546 HydrophobicContact CB-CD1 3.46Å; A509-I546 VanDerWaalsContact CB-CD1 3.46Å
510	T	98.6	Very high	97.6	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-56.3	-34.4	-177	-34.8	0	0	0	0	112.8	I508 L513 V514 F735 W758 V760	I508-T510 VanDerWaalsContact C-N 3.32Å; I508-T510 PolarHBondContact O-N 2.75Å; T510-L513 PolarHBondContact O-N 2.88Å; T510-V514 PolarHBondContact O-N 3.24Å; T510-V514 VanDerWaalsContact O-N 3.11Å; T510-F735 HydrophobicContact CG2-CE1 3.95Å; T510-F735 HydrophobicContact CG2-CZ 3.63Å; T510-W758 HydrophobicContact CG2-CB 4.14Å; T510-V760 HydrophobicContact CG2-CG2 4.13Å
511	G	98.3	Very high	97.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-46.7	176.5	0	0	0	0	0	112.6	A509 L513 V514 L515	A509-G511 PolarHBondContact O-N 3.24Å; A509-G511 VanDerWaalsContact O-N 3.15Å; G511-L513 VanDerWaalsContact C-N 3.34Å; G511-L513 PolarHBondContact O-N 3.49Å; G511-V514 PolarHBondContact O-N 3.06Å; G511-L515 VanDerWaalsContact O-CG 3.28Å; G511-L515 WeakPolarHBondContact O-CG 3.47Å; G511-L515 PolarHBondContact O-N 2.91Å
512	L	98.4	Very high	97.5	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-70.6	-28.8	178.1	-171.6	55.1	0	0	0	112.8	A509 K516 V522 Y525 H542 I546	A509-L512 PolarHBondContact O-N 2.98Å; A509-L512 VanDerWaalsContact O-N 3.08Å; L512-K516 VanDerWaalsContact O-CG 3.32Å; L512-K516 WeakPolarHBondContact O-CG 3.4Å; L512-K516 PolarHBondContact O-N 2.83Å; L512-V522 HydrophobicContact CD1-CB 4.22Å; L512-V522 HydrophobicContact CD1-CG1 4.14Å; L512-V522 HydrophobicContact CD1-CG2 3.93Å; L512-Y525 HydrophobicContact CB-CD1 4.33Å; L512-Y525 HydrophobicContact CB-CD2 3.86Å; L512-Y525 HydrophobicContact CB-CE1 4.09Å; L512-Y525 HydrophobicContact CB-CE2 3.59Å; L512-Y525 HydrophobicContact CB-CG 4.21Å; L512-Y525 HydrophobicContact CD1-CD2 3.87Å; L512-Y525 HydrophobicContact CD1-CE2 4.4Å; L512-Y525 HydrophobicContact CD1-CG 4.21Å; L512-Y525 HydrophobicContact CD2-CD1 4.26Å; L512-Y525 HydrophobicContact CD2-CD2 4.46Å; L512-Y525 HydrophobicContact CD2-CG 4.11Å; L512-Y525 HydrophobicContact CG-CD2 4.26Å; L512-Y525 HydrophobicContact CG-CE2 4.48Å; L512-Y525 HydrophobicContact CG-CG 4.4Å; L512-Y525 PolarHBondContact N-OH 2.9Å; L512-H542 HydrophobicContact CD2-CB 3.74Å; L512-H542 WeakPolarHBondContact CD2-ND1 3.28Å; L512-H542 WeakPolarHBondContact CG-ND1 2.99Å; L512-I546 HydrophobicContact CD2-CD1 3.97Å; L512-I546 HydrophobicContact CD2-CG1 3.49Å; L512-I546 VanDerWaalsContact CD2-CG1 3.49Å
513	L	98.2	Very high	97.4	Very high	15 Å²	15	21.4 Å²	21.4	8%	0.079	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-56.2	170.6	175.7	62.9	0	0	0	110.4	A509 T510 G511 L515 K516 E517 H542 F735 P736 Y739 V760	A509-L513 PolarHBondContact O-N 3.37Å; T510-L513 PolarHBondContact O-N 2.88Å; G511-L513 VanDerWaalsContact C-N 3.34Å; G511-L513 PolarHBondContact O-N 3.49Å; L513-L515 PolarHBondContact O-N 2.92Å; L513-K516 WeakPolarHBondContact O-CB 3.4Å; L513-K516 PolarHBondContact O-N 3.36Å; L513-K516 VanDerWaalsContact O-N 3.11Å; L513-E517 HydrophobicContact CD1-CG 4.25Å; L513-E517 WeakPolarHBondContact CD1-OE1 3.27Å; L513-E517 WeakPolarHBondContact CG-OE1 3.4Å; L513-E517 WeakPolarHBondContact O-CG 3.41Å; L513-E517 PolarHBondContact O-N 3.09Å; L513-H542 PolarHBondContact N-CE1 3.04Å; L513-F735 HydrophobicContact CD2-CD1 3.52Å; L513-F735 HydrophobicContact CD2-CE1 3.76Å; L513-P736 HydrophobicContact CD1-CG 4.25Å; L513-Y739 HydrophobicContact CD1-CE2 4.1Å; L513-Y739 HydrophobicContact CD2-CD2 4.35Å; L513-Y739 HydrophobicContact CD2-CE2 3.92Å; L513-Y739 HydrophobicContact CG-CE2 4.43Å; L513-V760 HydrophobicContact CD2-CG1 4.46Å; L513-V760 HydrophobicContact CD2-CG2 4.04Å
514	V	97.9	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-38.5	-177.5	169.3	0	0	0	0	112.7	T510 G511 K516 E517 L518 V760 I763 R764 F767	T510-V514 PolarHBondContact O-N 3.24Å; T510-V514 VanDerWaalsContact O-N 3.11Å; G511-V514 PolarHBondContact O-N 3.06Å; V514-K516 VanDerWaalsContact C-N 3.27Å; V514-K516 PolarHBondContact O-N 2.81Å; V514-E517 PolarHBondContact O-N 2.88Å; V514-L518 HydrophobicContact CG1-CD1 3.82Å; V514-L518 HydrophobicContact CG1-CG 4.28Å; V514-L518 WeakPolarHBondContact O-CB 3.49Å; V514-L518 WeakPolarHBondContact O-CG 3.21Å; V514-L518 PolarHBondContact O-N 2.98Å; V514-V760 HydrophobicContact CG2-CG1 3.81Å; V514-I763 HydrophobicContact CB-CG2 4.12Å; V514-I763 HydrophobicContact CG1-CG2 4.12Å; V514-I763 HydrophobicContact CG2-CB 4.07Å; V514-I763 HydrophobicContact CG2-CG2 3.99Å; V514-R764 VanDerWaalsContact CG1-CA 3.43Å; V514-R764 HydrophobicContact CG1-CB 4Å; V514-F767 HydrophobicContact CB-CD2 4.27Å; V514-F767 HydrophobicContact CG1-CB 4.1Å; V514-F767 HydrophobicContact CG1-CD2 3.77Å; V514-F767 HydrophobicContact CG1-CG 4.28Å
515	L	98.1	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-36.3	175.8	-71.1	168.7	0	0	0	111.9	I499 V501 G511 L513 G519 I520 V522 Y525 L568 F767 L770	I499-L515 HydrophobicContact CG2-CD1 4.46Å; V501-L515 HydrophobicContact CG2-CD1 3.74Å; G511-L515 VanDerWaalsContact O-CG 3.28Å; G511-L515 WeakPolarHBondContact O-CG 3.47Å; G511-L515 PolarHBondContact O-N 2.91Å; L513-L515 PolarHBondContact O-N 2.92Å; L515-G519 PolarHBondContact O-N 3.36Å; L515-I520 HydrophobicContact CD2-CB 4.27Å; L515-I520 HydrophobicContact CD2-CD1 3.88Å; L515-I520 HydrophobicContact CD2-CG2 4.29Å; L515-I520 PolarHBondContact O-N 3.4Å; L515-V522 HydrophobicContact CB-CG2 3.86Å; L515-V522 HydrophobicContact CD1-CG2 4.06Å; L515-Y525 HydrophobicContact CD1-CE2 4.36Å; L515-L568 HydrophobicContact CD1-CD2 4.48Å; L515-F767 HydrophobicContact CD2-CD2 3.84Å; L515-F767 HydrophobicContact CD2-CE2 4.33Å; L515-F767 HydrophobicContact CG-CD2 3.94Å; L515-F767 HydrophobicContact CG-CE2 4.1Å; L515-L770 HydrophobicContact CD2-CD1 4.46Å
516	K	96	Very high	97.4	Very high	73 Å²	73	24.5 Å²	24.5	32%	0.317	12%	0.122	S	C	.	.	H	α-helix	trans	-70	-43.3	172.7	-73.4	176.1	176.2	-173	0	112.3	L512 L513 V514 L518 G519 H542	L512-K516 VanDerWaalsContact O-CG 3.32Å; L512-K516 WeakPolarHBondContact O-CG 3.4Å; L512-K516 PolarHBondContact O-N 2.83Å; L513-K516 WeakPolarHBondContact O-CB 3.4Å; L513-K516 PolarHBondContact O-N 3.36Å; L513-K516 VanDerWaalsContact O-N 3.11Å; V514-K516 VanDerWaalsContact C-N 3.27Å; V514-K516 PolarHBondContact O-N 2.81Å; K516-L518 VanDerWaalsContact C-N 3.32Å; K516-L518 PolarHBondContact O-N 2.91Å; K516-G519 WeakPolarHBondContact O-CA 3.32Å; K516-G519 PolarHBondContact O-N 3.45Å; K516-H542 PolarHBondContact NZ-ND1 2.88Å; K516-H542 VanDerWaalsContact NZ-ND1 3.2Å
517	E	94.4	Very high	97.4	Very high	80 Å²	80	24 Å²	24	37%	0.374	12%	0.12	S	C	.	.	H	α-helix	trans	-63.2	-36.6	178	-71.6	173.2	173.5	0	0	112.3	L513 V514 G519 V760	L513-E517 HydrophobicContact CD1-CG 4.25Å; L513-E517 WeakPolarHBondContact CD1-OE1 3.27Å; L513-E517 WeakPolarHBondContact CG-OE1 3.4Å; L513-E517 WeakPolarHBondContact O-CG 3.41Å; L513-E517 PolarHBondContact O-N 3.09Å; V514-E517 PolarHBondContact O-N 2.88Å; E517-G519 PolarHBondContact O-N 2.84Å; E517-V760 VanDerWaalsContact OE2-CG1 3.23Å; E517-V760 WeakPolarHBondContact OE2-CG1 3.32Å
518	L	95.4	Very high	97.5	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.2	171.3	-71.7	171.4	0	0	0	113.3	V514 K516 I520 R764 F767 A768 K771	V514-L518 HydrophobicContact CG1-CD1 3.82Å; V514-L518 HydrophobicContact CG1-CG 4.28Å; V514-L518 WeakPolarHBondContact O-CB 3.49Å; V514-L518 WeakPolarHBondContact O-CG 3.21Å; V514-L518 PolarHBondContact O-N 2.98Å; K516-L518 VanDerWaalsContact C-N 3.32Å; K516-L518 PolarHBondContact O-N 2.91Å; L518-I520 VanDerWaalsContact C-N 3.27Å; L518-I520 HydrophobicContact CB-CD1 4.04Å; L518-I520 HydrophobicContact CB-CG1 4.1Å; L518-I520 HydrophobicContact CD1-CD1 4.13Å; L518-I520 PolarHBondContact O-N 3.2Å; L518-R764 HydrophobicContact CD2-CG 3.86Å; L518-R764 HydrophobicContact CG-CG 4.24Å; L518-F767 HydrophobicContact CD1-CB 3.52Å; L518-A768 HydrophobicContact CD2-CB 4.08Å; L518-K771 HydrophobicContact CB-CD 4.42Å; L518-K771 VanDerWaalsContact O-CD 3.27Å; L518-K771 WeakPolarHBondContact O-CD 3.44Å; L518-K771 WeakPolarHBondContact O-CE 3.38Å; L518-K771 PolarHBondContact O-NZ 2.62Å
519	G	95.4	Very high	97.5	Very high	15 Å²	15	24.5 Å²	24.5	16%	0.155	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	24	-175.5	0	0	0	0	0	113.9	L515 K516 E517 C776 V777	L515-G519 PolarHBondContact O-N 3.36Å; K516-G519 WeakPolarHBondContact O-CA 3.32Å; K516-G519 PolarHBondContact O-N 3.45Å; E517-G519 PolarHBondContact O-N 2.84Å; G519-C776 CarbonylContact O-C 3.59Å; G519-C776 VanDerWaalsContact O-CA 3.22Å; G519-C776 WeakPolarHBondContact O-CA 3.32Å; G519-V777 PolarHBondContact O-N 3.5Å
520	I	97.3	Very high	97.5	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-79.5	127.2	176.5	-64.5	168.4	0	0	0	108.6	I499 L515 L518 V522 L770 K771 F774	I499-I520 HydrophobicContact CB-CG2 4.27Å; I499-I520 HydrophobicContact CG2-CG2 3.76Å; L515-I520 HydrophobicContact CD2-CB 4.27Å; L515-I520 HydrophobicContact CD2-CD1 3.88Å; L515-I520 HydrophobicContact CD2-CG2 4.29Å; L515-I520 PolarHBondContact O-N 3.4Å; L518-I520 VanDerWaalsContact C-N 3.27Å; L518-I520 HydrophobicContact CB-CD1 4.04Å; L518-I520 HydrophobicContact CB-CG1 4.1Å; L518-I520 HydrophobicContact CD1-CD1 4.13Å; L518-I520 PolarHBondContact O-N 3.2Å; I520-V522 PolarHBondContact O-N 3.35Å; I520-L770 HydrophobicContact CD1-CB 3.88Å; I520-K771 HydrophobicContact CD1-CG 3.92Å; I520-K771 HydrophobicContact CG1-CG 3.8Å; I520-F774 HydrophobicContact CG2-CB 4.11Å
521	Q	97.1	Very high	97.4	Very high	75 Å²	75	30 Å²	30	35%	0.35	15%	0.153	S	C	.	.			trans	-68.7	122.4	176.1	-61.5	-169	25.2	0	0	109.7	P498 I499 A775 C776 V777	P498-Q521 CarbonylContact C-O 3.4Å; P498-Q521 WeakPolarHBondContact CA-O 3.42Å; P498-Q521 HydrophobicContact CB-CB 3.85Å; P498-Q521 WeakPolarHBondContact CB-O 3.42Å; P498-Q521 HydrophobicContact CG-CB 3.96Å; I499-Q521 PolarHBondContact N-O 3.05Å; Q521-A775 HydrophobicContact CB-CB 4.16Å; Q521-A775 HydrophobicContact CG-CB 4.19Å; Q521-A775 PolarHBondContact N-O 3.41Å; Q521-C776 PolarHBondContact NE2-O 2.85Å; Q521-V777 HydrophobicContact CG-CG2 3.83Å
522	V	97.8	Very high	97.3	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.085	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.3	175.9	-174.9	0	0	0	0	109.5	I499 V501 L512 L515 I520 R545	I499-V522 HydrophobicContact CG2-CB 4.32Å; I499-V522 HydrophobicContact CG2-CG1 4.42Å; I499-V522 HydrophobicContact CG2-CG2 3.83Å; V501-V522 HydrophobicContact CG2-CG1 4.41Å; L512-V522 HydrophobicContact CD1-CB 4.22Å; L512-V522 HydrophobicContact CD1-CG1 4.14Å; L512-V522 HydrophobicContact CD1-CG2 3.93Å; L515-V522 HydrophobicContact CB-CG2 3.86Å; L515-V522 HydrophobicContact CD1-CG2 4.06Å; I520-V522 PolarHBondContact O-N 3.35Å; V522-R545 PolarHBondContact O-NH2 3.45Å
523	D	97.3	Very high	97.2	Very high	99 Å²	99	39.4 Å²	39.4	53%	0.529	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-57.5	171	163.3	55.5	0	0	0	109.6	P498 I499 R500	P498-D523 HydrophobicContact CB-CB 3.9Å; I499-D523 PolarHBondContact O-N 2.92Å; R500-D523 WeakPolarHBondContact CD-OD2 3.31Å; R500-D523 HydrophobicContact CG-CB 4.04Å; R500-D523 VanDerWaalsContact CG-OD2 3.26Å; R500-D523 WeakPolarHBondContact CG-OD2 3.5Å
524	R	97.2	Very high	97.1	Very high	96 Å²	96	38.8 Å²	38.8	36%	0.362	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.4	-172.5	-167.9	174.1	-66.1	-167.6	-4.9	111.2	R500 V501 V526 W563	R500-R524 WeakPolarHBondContact CA-O 3.34Å; R500-R524 HydrophobicContact CB-CB 4.42Å; R500-R524 HydrophobicContact CG-CB 4.2Å; V501-R524 PolarHBondContact N-O 3.47Å; R524-V526 HydrophobicContact CG-CG2 3.96Å; R524-W563 WeakPolarHBondContact CD-O 3.48Å; R524-W563 PolarHBondContact NH1-O 3.19Å
525	Y	98.6	Very high	97.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	103.6	173.2	-165.1	-83.4	0	0	0	108.7	V501 S503 D506 L512 L515 A527 I546 M547	V501-Y525 HydrophobicContact CB-CD2 3.61Å; V501-Y525 HydrophobicContact CB-CE2 4.06Å; V501-Y525 HydrophobicContact CB-CG 4.36Å; V501-Y525 HydrophobicContact CG1-CD2 3.83Å; V501-Y525 HydrophobicContact CG1-CE2 3.72Å; V501-Y525 HydrophobicContact CG2-CD2 4.01Å; V501-Y525 HydrophobicContact CG2-CE2 4.5Å; S503-Y525 PolarHBondContact OG-OH 2.97Å; D506-Y525 VanDerWaalsContact OD1-CE1 3.3Å; D506-Y525 WeakPolarHBondContact OD1-CE1 3.26Å; D506-Y525 PolarHBondContact OD1-OH 2.89Å; L512-Y525 HydrophobicContact CB-CD1 4.33Å; L512-Y525 HydrophobicContact CB-CD2 3.86Å; L512-Y525 HydrophobicContact CB-CE1 4.09Å; L512-Y525 HydrophobicContact CB-CE2 3.59Å; L512-Y525 HydrophobicContact CB-CG 4.21Å; L512-Y525 HydrophobicContact CD1-CD2 3.87Å; L512-Y525 HydrophobicContact CD1-CE2 4.4Å; L512-Y525 HydrophobicContact CD1-CG 4.21Å; L512-Y525 HydrophobicContact CD2-CD1 4.26Å; L512-Y525 HydrophobicContact CD2-CD2 4.46Å; L512-Y525 HydrophobicContact CD2-CG 4.11Å; L512-Y525 HydrophobicContact CG-CD2 4.26Å; L512-Y525 HydrophobicContact CG-CE2 4.48Å; L512-Y525 HydrophobicContact CG-CG 4.4Å; L512-Y525 PolarHBondContact N-OH 2.9Å; L515-Y525 HydrophobicContact CD1-CE2 4.36Å; Y525-A527 HydrophobicContact CD1-CB 4.43Å; Y525-A527 HydrophobicContact CE1-CB 4.25Å; Y525-I546 HydrophobicContact CD1-CB 4.48Å; Y525-I546 HydrophobicContact CD1-CG1 3.99Å; Y525-I546 HydrophobicContact CD1-CG2 4.03Å; Y525-I546 HydrophobicContact CE1-CG1 4.46Å; Y525-I546 HydrophobicContact CE1-CG2 4.49Å; Y525-M547 PolarHBondContact O-N 2.94Å
526	V	98.6	Very high	97.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129	178.4	-176.6	0	0	0	0	108.4	V501 L502 S503 R524 M547 V549 W563 F566	V501-V526 PolarHBondContact O-N 3.26Å; L502-V526 HydrophobicContact CD1-CB 4.12Å; L502-V526 HydrophobicContact CD1-CG1 4.08Å; S503-V526 PolarHBondContact N-O 3.29Å; R524-V526 HydrophobicContact CG-CG2 3.96Å; V526-M547 WeakPolarHBondContact CA-O 3.17Å; V526-M547 HydrophobicContact CG2-CB 4.27Å; V526-M547 HydrophobicContact CG2-SD 4.21Å; V526-V549 HydrophobicContact CG1-CG1 3.57Å; V526-V549 HydrophobicContact CG1-CG2 4.33Å; V526-W563 HydrophobicContact CG1-CD2 4.31Å; V526-W563 HydrophobicContact CG1-CE3 3.79Å; V526-W563 HydrophobicContact CG1-CZ3 4.15Å; V526-W563 HydrophobicContact CG2-CB 4.33Å; V526-F566 HydrophobicContact CB-CE1 4.05Å; V526-F566 HydrophobicContact CB-CZ 4.15Å; V526-F566 HydrophobicContact CG2-CE1 3.74Å; V526-F566 HydrophobicContact CG2-CZ 3.88Å
527	A	98.6	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.2	-172.7	0	0	0	0	0	112.5	S503 D506 Y525 I546 M547 Y548 V549	S503-A527 CarbonylContact O-C 3.52Å; S503-A527 VanDerWaalsContact O-CA 3.31Å; S503-A527 WeakPolarHBondContact O-CA 3.46Å; D506-A527 HydrophobicContact CB-CB 3.85Å; Y525-A527 HydrophobicContact CD1-CB 4.43Å; Y525-A527 HydrophobicContact CE1-CB 4.25Å; A527-I546 HydrophobicContact CB-CG2 3.36Å; A527-M547 PolarHBondContact N-O 3.11Å; A527-Y548 HydrophobicContact CB-CD1 3.66Å; A527-Y548 HydrophobicContact CB-CE1 3.5Å; A527-Y548 HydrophobicContact CB-CG 4.5Å; A527-Y548 WeakPolarHBondContact O-CA 3.26Å; A527-V549 PolarHBondContact O-N 3.48Å
528	S	98.6	Very high	97.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.6	166.4	177.8	0	0	0	0	110	S503 F505 D506 G550 V552	S503-S528 PolarHBondContact O-N 3Å; F505-S528 WeakPolarHBondContact CA-O 3.43Å; F505-S528 PolarHBondContact N-O 2.77Å; D506-S528 PolarHBondContact N-O 3.24Å; D506-S528 VanDerWaalsContact N-O 3.17Å; S528-G550 WeakPolarHBondContact CA-O 3.41Å; S528-G550 WeakPolarHBondContact CB-O 3.36Å; S528-G550 PolarHBondContact OG-O 3.43Å; S528-V552 VanDerWaalsContact OG-CA 3.23Å; S528-V552 WeakPolarHBondContact OG-CA 3.31Å; S528-V552 WeakPolarHBondContact OG-CB 3.18Å; S528-V552 PolarHBondContact OG-N 2.93Å
529	E	98.1	Very high	97.3	Very high	23 Å²	23	39 Å²	39	11%	0.107	20%	0.202	C	C	.	.			trans	-157.2	152.6	178	-179.8	52.2	-102.8	0	0	108.3	G507 C531 I535 Y548 G550	G507-E529 VanDerWaalsContact CA-OE2 3.22Å; G507-E529 WeakPolarHBondContact CA-OE2 3.41Å; G507-E529 PolarHBondContact N-OE2 2.79Å; E529-C531 HydrophobicContact CG-CB 4.5Å; E529-C531 VanDerWaalsContact OE1-CB 3.27Å; E529-C531 WeakPolarHBondContact OE1-CB 3.33Å; E529-C531 PolarHBondContact OE1-N 3.5Å; E529-I535 HydrophobicContact CB-CG1 4.08Å; E529-I535 HydrophobicContact CG-CD1 4.46Å; E529-I535 HydrophobicContact CG-CG1 3.83Å; E529-Y548 HydrophobicContact CB-CD1 4.35Å; E529-Y548 HydrophobicContact CB-CE1 4.13Å; E529-G550 PolarHBondContact N-O 3.39Å; E529-G550 CarbonylContact O-C 3.4Å; E529-G550 WeakPolarHBondContact O-CA 3.43Å
530	V	97.6	Very high	97.3	Very high	89 Å²	89	42.2 Å²	42.2	54%	0.539	22%	0.219	S	C	.	.			trans	-128.5	-3.8	-178	-61.8	0	0	0	0	113.2	D551	V530-D551 VanDerWaalsContact CG1-CA 3.49Å; V530-D551 HydrophobicContact CG1-CB 3.71Å
531	C	96.2	Very high	97.2	Very high	30 Å²	30	46.2 Å²	46.2	20%	0.203	23%	0.234	C	C	.	.			trans	-91.7	106.4	177.6	-163.2	0	0	0	0	109.7	E529 D533 S534 I535	E529-C531 HydrophobicContact CG-CB 4.5Å; E529-C531 VanDerWaalsContact OE1-CB 3.27Å; E529-C531 WeakPolarHBondContact OE1-CB 3.33Å; E529-C531 PolarHBondContact OE1-N 3.5Å; C531-D533 PolarHBondContact O-N 3.08Å; C531-D533 VanDerWaalsContact O-N 3.14Å; C531-S534 WeakPolarHBondContact O-CA 3.3Å; C531-S534 VanDerWaalsContact O-CB 3.25Å; C531-S534 WeakPolarHBondContact O-CB 3.32Å; C531-S534 PolarHBondContact O-N 2.84Å; C531-I535 PolarHBondContact O-N 3.01Å
532	E	96.3	Very high	97.1	Very high	136 Å²	136	42.8 Å²	42.8	64%	0.636	22%	0.218	S	C	*	.	H	α-helix	trans	-50.3	-39.2	179.9	-61.3	-57.5	138	0	0	113.6	I535 T536	E532-I535 PolarHBondContact O-N 3.09Å; E532-T536 WeakPolarHBondContact O-CB 3.35Å; E532-T536 PolarHBondContact O-N 3.31Å; E532-T536 PolarHBondContact O-OG1 2.85Å
533	D	96.5	Very high	96.9	Very high	64 Å²	64	49.5 Å²	49.5	34%	0.342	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-47.5	174	-72.9	-30.6	0	0	0	111.6	C531 T536 V537 M745 L753	C531-D533 PolarHBondContact O-N 3.08Å; C531-D533 VanDerWaalsContact O-N 3.14Å; D533-T536 PolarHBondContact O-N 3.42Å; D533-V537 PolarHBondContact O-N 2.96Å; D533-V537 VanDerWaalsContact O-N 3.11Å; D533-M745 HydrophobicContact CB-CE 3.65Å; D533-M745 HydrophobicContact CB-SD 4.23Å; D533-M745 VanDerWaalsContact O-CE 3.25Å; D533-M745 WeakPolarHBondContact O-CE 3.31Å; D533-L753 HydrophobicContact CB-CD1 4.21Å; D533-L753 HydrophobicContact CB-CD2 3.97Å; D533-L753 HydrophobicContact CB-CG 4.44Å
534	S	97	Very high	96.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-49.4	177.6	-64.5	0	0	0	0	111.8	G507 C531 T536 V537 G538 L753	G507-S534 WeakPolarHBondContact O-CB 3.27Å; C531-S534 WeakPolarHBondContact O-CA 3.3Å; C531-S534 VanDerWaalsContact O-CB 3.25Å; C531-S534 WeakPolarHBondContact O-CB 3.32Å; C531-S534 PolarHBondContact O-N 2.84Å; S534-T536 VanDerWaalsContact C-N 3.28Å; S534-T536 PolarHBondContact O-N 3.01Å; S534-V537 PolarHBondContact O-N 2.84Å; S534-G538 PolarHBondContact O-N 2.87Å; S534-L753 WeakPolarHBondContact OG-CD2 3.3Å
535	I	97.6	Very high	96.1	Very high	21 Å²	21	49.3 Å²	49.3	11%	0.108	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-42.9	178.4	-64	168.8	0	0	0	110.1	E529 C531 E532 V537 G538 M539 Y548	E529-I535 HydrophobicContact CB-CG1 4.08Å; E529-I535 HydrophobicContact CG-CD1 4.46Å; E529-I535 HydrophobicContact CG-CG1 3.83Å; C531-I535 PolarHBondContact O-N 3.01Å; E532-I535 PolarHBondContact O-N 3.09Å; I535-V537 PolarHBondContact O-N 3.1Å; I535-G538 PolarHBondContact O-N 3.2Å; I535-M539 HydrophobicContact CG2-CG 4.14Å; I535-M539 HydrophobicContact CG2-SD 3.82Å; I535-M539 WeakPolarHBondContact O-CB 3.4Å; I535-M539 WeakPolarHBondContact O-CG 3.23Å; I535-M539 PolarHBondContact O-N 3.19Å; I535-Y548 HydrophobicContact CG1-CD1 4.11Å; I535-Y548 HydrophobicContact CG1-CE1 4.13Å; I535-Y548 HydrophobicContact CG2-CD1 4.46Å; I535-Y548 HydrophobicContact CG2-CD2 3.85Å; I535-Y548 HydrophobicContact CG2-CE2 4Å; I535-Y548 HydrophobicContact CG2-CG 4.1Å
536	T	97	Very high	96.1	Very high	43 Å²	43	49.7 Å²	49.7	26%	0.264	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-40.4	179.6	-57.7	0	0	0	0	112.1	E532 D533 S534 V540 V742	E532-T536 WeakPolarHBondContact O-CB 3.35Å; E532-T536 PolarHBondContact O-N 3.31Å; E532-T536 PolarHBondContact O-OG1 2.85Å; D533-T536 PolarHBondContact O-N 3.42Å; S534-T536 VanDerWaalsContact C-N 3.28Å; S534-T536 PolarHBondContact O-N 3.01Å; T536-V540 HydrophobicContact CG2-CG2 4.48Å; T536-V540 WeakPolarHBondContact O-CB 3.45Å; T536-V540 VanDerWaalsContact O-CG2 3.27Å; T536-V540 WeakPolarHBondContact O-CG2 3.35Å; T536-V540 PolarHBondContact O-N 2.9Å; T536-V540 VanDerWaalsContact O-N 3.12Å; T536-V742 HydrophobicContact CG2-CG2 3.99Å
537	V	97.3	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-49.4	172.4	176.6	0	0	0	0	110.6	I508 D533 S534 I535 V540 R541 Y739 V742 M745 L753	I508-V537 HydrophobicContact CB-CB 4.19Å; I508-V537 HydrophobicContact CB-CG1 3.85Å; I508-V537 HydrophobicContact CG2-CB 3.95Å; I508-V537 HydrophobicContact CG2-CG1 4.06Å; I508-V537 HydrophobicContact CG2-CG2 4.1Å; D533-V537 PolarHBondContact O-N 2.96Å; D533-V537 VanDerWaalsContact O-N 3.11Å; S534-V537 PolarHBondContact O-N 2.84Å; I535-V537 PolarHBondContact O-N 3.1Å; V537-V540 PolarHBondContact O-N 2.97Å; V537-R541 HydrophobicContact CG1-CG 3.94Å; V537-R541 VanDerWaalsContact O-CB 3.32Å; V537-R541 WeakPolarHBondContact O-CB 3.27Å; V537-R541 VanDerWaalsContact O-CG 3.3Å; V537-R541 WeakPolarHBondContact O-CG 3.22Å; V537-R541 PolarHBondContact O-N 3.13Å; V537-Y739 HydrophobicContact CG1-CD1 4.01Å; V537-Y739 HydrophobicContact CG1-CE1 3.67Å; V537-V742 HydrophobicContact CB-CG2 4.45Å; V537-V742 HydrophobicContact CG2-CG2 3.64Å; V537-M745 HydrophobicContact CG2-CE 4.08Å; V537-L753 HydrophobicContact CG2-CD1 3.78Å
538	G	96.7	Very high	96.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-48.1	-179.2	0	0	0	0	0	113.2	S534 I535 V540 H542	S534-G538 PolarHBondContact O-N 2.87Å; I535-G538 PolarHBondContact O-N 3.2Å; G538-V540 PolarHBondContact O-N 2.77Å; G538-H542 WeakPolarHBondContact O-CB 3.32Å; G538-H542 PolarHBondContact O-CD2 2.92Å; G538-H542 PolarHBondContact O-N 2.79Å
539	M	96.2	Very high	96	Very high	102 Å²	102	58.4 Å²	58.4	50%	0.502	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-45.6	177.1	-74.4	-176.7	70.1	0	0	112.4	I535 Q543 G544 Y548	I535-M539 HydrophobicContact CG2-CG 4.14Å; I535-M539 HydrophobicContact CG2-SD 3.82Å; I535-M539 WeakPolarHBondContact O-CB 3.4Å; I535-M539 WeakPolarHBondContact O-CG 3.23Å; I535-M539 PolarHBondContact O-N 3.19Å; M539-Q543 PolarHBondContact O-N 3.04Å; M539-Q543 VanDerWaalsContact O-N 3.09Å; M539-G544 PolarHBondContact O-N 3.01Å; M539-Y548 HydrophobicContact CG-CD2 4.03Å; M539-Y548 HydrophobicContact CG-CE2 3.88Å
540	V	95.8	Very high	95.9	Very high	82 Å²	82	58.7 Å²	58.7	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-71.8	-49.5	-178.9	172.4	0	0	0	0	111.4	T536 V537 G538 H542 V742	T536-V540 HydrophobicContact CG2-CG2 4.48Å; T536-V540 WeakPolarHBondContact O-CB 3.45Å; T536-V540 VanDerWaalsContact O-CG2 3.27Å; T536-V540 WeakPolarHBondContact O-CG2 3.35Å; T536-V540 PolarHBondContact O-N 2.9Å; T536-V540 VanDerWaalsContact O-N 3.12Å; V537-V540 PolarHBondContact O-N 2.97Å; G538-V540 PolarHBondContact O-N 2.77Å; V540-H542 VanDerWaalsContact C-N 3.34Å; V540-H542 PolarHBondContact O-N 3.24Å; V540-V742 HydrophobicContact CB-CG1 4.06Å; V540-V742 HydrophobicContact CG1-CG1 3.81Å
541	R	95.1	Very high	95.9	Very high	89 Å²	89	56 Å²	56	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-71.9	-27	-175.8	-63.6	-68.9	159.3	-164.6	-10.5	113.1	V537 H738 Y739 D741	V537-R541 HydrophobicContact CG1-CG 3.94Å; V537-R541 VanDerWaalsContact O-CB 3.32Å; V537-R541 WeakPolarHBondContact O-CB 3.27Å; V537-R541 VanDerWaalsContact O-CG 3.3Å; V537-R541 WeakPolarHBondContact O-CG 3.22Å; V537-R541 PolarHBondContact O-N 3.13Å; R541-H738 PolarHBondContact NH2-O 2.92Å; R541-Y739 HydrophobicContact CB-CD2 4.39Å; R541-Y739 HydrophobicContact CB-CE2 3.79Å; R541-Y739 WeakPolarHBondContact CD-O 3.47Å; R541-Y739 HydrophobicContact CG-CD2 3.93Å; R541-Y739 HydrophobicContact CG-CE2 3.77Å; R541-Y739 HydrophobicContact CG-CG 4.39Å; R541-Y739 PolarHBondContact NE-O 2.81Å; R541-D741 PolarHBondContact NH2-O 2.99Å
542	H	96.1	Very high	96	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.014	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	15.3	179.3	-56.7	-88.4	0	0	0	114.1	L512 L513 K516 G538 V540 G544 R545 I546 Y739	L512-H542 HydrophobicContact CD2-CB 3.74Å; L512-H542 WeakPolarHBondContact CD2-ND1 3.28Å; L512-H542 WeakPolarHBondContact CG-ND1 2.99Å; L513-H542 PolarHBondContact N-CE1 3.04Å; K516-H542 PolarHBondContact NZ-ND1 2.88Å; K516-H542 VanDerWaalsContact NZ-ND1 3.2Å; G538-H542 WeakPolarHBondContact O-CB 3.32Å; G538-H542 PolarHBondContact O-CD2 2.92Å; G538-H542 PolarHBondContact O-N 2.79Å; V540-H542 VanDerWaalsContact C-N 3.34Å; V540-H542 PolarHBondContact O-N 3.24Å; H542-G544 VanDerWaalsContact C-N 3.25Å; H542-G544 PolarHBondContact O-N 3.01Å; H542-R545 VanDerWaalsContact O-CB 3.28Å; H542-R545 WeakPolarHBondContact O-CB 3.28Å; H542-R545 WeakPolarHBondContact O-CG 3.41Å; H542-R545 PolarHBondContact O-N 3.4Å; H542-I546 HydrophobicContact CB-CD1 3.97Å; H542-I546 HydrophobicContact CB-CG1 4.12Å; H542-Y739 PolarHBondContact NE2-OH 2.83Å
543	Q	93	Very high	96	Very high	155 Å²	155	55.4 Å²	55.4	72%	0.724	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	38.4	169.4	-57.3	137.6	-28.7	0	0	112.9	M539 R545	M539-Q543 PolarHBondContact O-N 3.04Å; M539-Q543 VanDerWaalsContact O-N 3.09Å; Q543-R545 VanDerWaalsContact C-N 3.25Å; Q543-R545 PolarHBondContact O-N 2.82Å
544	G	84.5	Confident	96.1	Very high	52 Å²	52	57.7 Å²	57.7	54%	0.536	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	8.2	-177.3	0	0	0	0	0	116.1	M539 H542 I546	M539-G544 PolarHBondContact O-N 3.01Å; H542-G544 VanDerWaalsContact C-N 3.25Å; H542-G544 PolarHBondContact O-N 3.01Å; G544-I546 PolarHBondContact O-N 3.44Å; G544-I546 VanDerWaalsContact O-N 3.13Å
545	R	93.7	Very high	96.1	Very high	138 Å²	138	57.8 Å²	57.8	52%	0.521	29%	0.293	S	S	.	.			trans	-69.6	-1.8	177.2	-69.4	-174.2	62.3	172.5	-1	115	V522 H542 Q543	V522-R545 PolarHBondContact O-NH2 3.45Å; H542-R545 VanDerWaalsContact O-CB 3.28Å; H542-R545 WeakPolarHBondContact O-CB 3.28Å; H542-R545 WeakPolarHBondContact O-CG 3.41Å; H542-R545 PolarHBondContact O-N 3.4Å; Q543-R545 VanDerWaalsContact C-N 3.25Å; Q543-R545 PolarHBondContact O-N 2.82Å
546	I	97.9	Very high	96.1	Very high	13 Å²	13	59.7 Å²	59.7	7%	0.067	31%	0.306	C	S	.	.	S	Bend	trans	-99.5	124.7	179.4	-60.8	171.3	0	0	0	109.2	A509 L512 Y525 A527 H542 G544 Y548	A509-I546 HydrophobicContact CB-CD1 3.46Å; A509-I546 VanDerWaalsContact CB-CD1 3.46Å; L512-I546 HydrophobicContact CD2-CD1 3.97Å; L512-I546 HydrophobicContact CD2-CG1 3.49Å; L512-I546 VanDerWaalsContact CD2-CG1 3.49Å; Y525-I546 HydrophobicContact CD1-CB 4.48Å; Y525-I546 HydrophobicContact CD1-CG1 3.99Å; Y525-I546 HydrophobicContact CD1-CG2 4.03Å; Y525-I546 HydrophobicContact CE1-CG1 4.46Å; Y525-I546 HydrophobicContact CE1-CG2 4.49Å; A527-I546 HydrophobicContact CB-CG2 3.36Å; H542-I546 HydrophobicContact CB-CD1 3.97Å; H542-I546 HydrophobicContact CB-CG1 4.12Å; G544-I546 PolarHBondContact O-N 3.44Å; G544-I546 VanDerWaalsContact O-N 3.13Å; I546-Y548 HydrophobicContact CB-CD2 4.15Å; I546-Y548 HydrophobicContact CB-CE2 3.74Å; I546-Y548 HydrophobicContact CD1-CE2 4.18Å; I546-Y548 WeakPolarHBondContact CD1-OH 3.4Å; I546-Y548 HydrophobicContact CG2-CD1 4.13Å; I546-Y548 HydrophobicContact CG2-CD2 3.7Å; I546-Y548 HydrophobicContact CG2-CE1 3.87Å; I546-Y548 HydrophobicContact CG2-CE2 3.43Å; I546-Y548 VanDerWaalsContact CG2-CE2 3.43Å; I546-Y548 HydrophobicContact CG2-CG 4.04Å; I546-Y548 VanDerWaalsContact CG2-CZ 3.49Å; I546-Y548 PolarHBondContact O-N 2.93Å
547	M	97.9	Very high	96	Very high	99 Å²	99	64.5 Å²	64.5	49%	0.488	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	92.4	172.3	-172.5	175.9	-154.8	0	0	109.2	Y525 V526 A527	Y525-M547 PolarHBondContact O-N 2.94Å; V526-M547 WeakPolarHBondContact CA-O 3.17Å; V526-M547 HydrophobicContact CG2-CB 4.27Å; V526-M547 HydrophobicContact CG2-SD 4.21Å; A527-M547 PolarHBondContact N-O 3.11Å
548	Y	98.1	Very high	96	Very high	49 Å²	49	70.6 Å²	70.6	19%	0.192	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.5	176.8	-78.3	-70.7	0	0	0	111.8	D506 A527 E529 I535 M539 I546	D506-Y548 PolarHBondContact OD2-OH 3.1Å; A527-Y548 HydrophobicContact CB-CD1 3.66Å; A527-Y548 HydrophobicContact CB-CE1 3.5Å; A527-Y548 HydrophobicContact CB-CG 4.5Å; A527-Y548 WeakPolarHBondContact O-CA 3.26Å; E529-Y548 HydrophobicContact CB-CD1 4.35Å; E529-Y548 HydrophobicContact CB-CE1 4.13Å; I535-Y548 HydrophobicContact CG1-CD1 4.11Å; I535-Y548 HydrophobicContact CG1-CE1 4.13Å; I535-Y548 HydrophobicContact CG2-CD1 4.46Å; I535-Y548 HydrophobicContact CG2-CD2 3.85Å; I535-Y548 HydrophobicContact CG2-CE2 4Å; I535-Y548 HydrophobicContact CG2-CG 4.1Å; M539-Y548 HydrophobicContact CG-CD2 4.03Å; M539-Y548 HydrophobicContact CG-CE2 3.88Å; I546-Y548 HydrophobicContact CB-CD2 4.15Å; I546-Y548 HydrophobicContact CB-CE2 3.74Å; I546-Y548 HydrophobicContact CD1-CE2 4.18Å; I546-Y548 WeakPolarHBondContact CD1-OH 3.4Å; I546-Y548 HydrophobicContact CG2-CD1 4.13Å; I546-Y548 HydrophobicContact CG2-CD2 3.7Å; I546-Y548 HydrophobicContact CG2-CE1 3.87Å; I546-Y548 HydrophobicContact CG2-CE2 3.43Å; I546-Y548 VanDerWaalsContact CG2-CE2 3.43Å; I546-Y548 HydrophobicContact CG2-CG 4.04Å; I546-Y548 VanDerWaalsContact CG2-CZ 3.49Å; I546-Y548 PolarHBondContact O-N 2.93Å
549	V	96.9	Very high	96	Very high	37 Å²	37	73.3 Å²	73.3	22%	0.224	36%	0.358	C	S	.	.			trans	-118.9	5	-175.7	-55.8	0	0	0	0	114.1	V526 A527 V555 W563	V526-V549 HydrophobicContact CG1-CG1 3.57Å; V526-V549 HydrophobicContact CG1-CG2 4.33Å; A527-V549 PolarHBondContact O-N 3.48Å; V549-V555 HydrophobicContact CG2-CG2 3.95Å; V549-W563 HydrophobicContact CB-CH2 3.53Å; V549-W563 HydrophobicContact CB-CZ2 4.16Å; V549-W563 HydrophobicContact CB-CZ3 4.02Å; V549-W563 HydrophobicContact CG1-CE3 4.3Å; V549-W563 HydrophobicContact CG1-CH2 3.42Å; V549-W563 VanDerWaalsContact CG1-CH2 3.42Å; V549-W563 HydrophobicContact CG1-CZ2 3.7Å; V549-W563 HydrophobicContact CG1-CZ3 3.74Å; V549-W563 HydrophobicContact CG2-CH2 3.87Å; V549-W563 HydrophobicContact CG2-CZ3 3.9Å
550	G	96.8	Very high	96.1	Very high	29 Å²	29	68.7 Å²	68.7	30%	0.299	34%	0.335	S	S	.	.			trans	73.3	-143.3	179	0	0	0	0	0	113.5	S528 E529 V552	S528-G550 WeakPolarHBondContact CA-O 3.41Å; S528-G550 WeakPolarHBondContact CB-O 3.36Å; S528-G550 PolarHBondContact OG-O 3.43Å; E529-G550 PolarHBondContact N-O 3.39Å; E529-G550 CarbonylContact O-C 3.4Å; E529-G550 WeakPolarHBondContact O-CA 3.43Å; G550-V552 PolarHBondContact O-N 2.72Å
551	D	97.7	Very high	96	Very high	33 Å²	33	70.8 Å²	70.8	18%	0.176	34%	0.34	C	S	.	.			trans	-65.7	126.9	-174	-163.8	-54.5	0	0	0	113.1	V530 R553 N554	V530-D551 VanDerWaalsContact CG1-CA 3.49Å; V530-D551 HydrophobicContact CG1-CB 3.71Å; D551-R553 PolarHBondContact O-N 2.95Å; D551-R553 VanDerWaalsContact O-N 3.08Å; D551-R553 VanDerWaalsContact OD1-CB 3.3Å; D551-R553 WeakPolarHBondContact OD1-CB 3.39Å; D551-R553 VanDerWaalsContact OD1-CG 3.31Å; D551-R553 WeakPolarHBondContact OD1-CG 3.37Å; D551-R553 IonicContact OD1-CZ 3.54Å; D551-R553 PolarHBondContact OD1-N 2.84Å; D551-R553 IonicContact OD1-NE 3.72Å; D551-R553 PolarHBondContact OD1-NE 2.88Å; D551-R553 IonicContact OD1-NH2 2.78Å; D551-R553 IonicContact OD2-CZ 2.7Å; D551-R553 IonicContact OD2-NE 3.7Å; D551-R553 PolarHBondContact OD2-NE 2.78Å; D551-R553 IonicContact OD2-NH2 3.84Å; D551-R553 PolarHBondContact OD2-NH2 3.33Å; D551-N554 WeakPolarHBondContact O-CB 3.47Å; D551-N554 PolarHBondContact O-N 3.14Å
552	V	97.9	Very high	96	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.018	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-54	-31.8	-178	71.9	0	0	0	0	113.2	L504 F505 S528 G550 N554 V555 L595 E598 R601 L602	L504-V552 HydrophobicContact CD2-CG2 4.16Å; F505-V552 HydrophobicContact CE1-CB 4.22Å; F505-V552 HydrophobicContact CE1-CG1 3.67Å; F505-V552 HydrophobicContact CZ-CB 4.34Å; F505-V552 HydrophobicContact CZ-CG1 3.82Å; F505-V552 HydrophobicContact CZ-CG2 4.33Å; S528-V552 VanDerWaalsContact OG-CA 3.23Å; S528-V552 WeakPolarHBondContact OG-CA 3.31Å; S528-V552 WeakPolarHBondContact OG-CB 3.18Å; S528-V552 PolarHBondContact OG-N 2.93Å; G550-V552 PolarHBondContact O-N 2.72Å; V552-N554 PolarHBondContact O-N 2.89Å; V552-V555 WeakPolarHBondContact O-CB 3.3Å; V552-V555 PolarHBondContact O-N 2.88Å; V552-V555 VanDerWaalsContact O-N 3.07Å; V552-L595 HydrophobicContact CG1-CD2 4.1Å; V552-E598 HydrophobicContact CB-CB 4.47Å; V552-E598 HydrophobicContact CG1-CB 3.73Å; V552-E598 HydrophobicContact CG1-CG 3.96Å; V552-E598 HydrophobicContact CG2-CB 3.91Å; V552-R601 PolarHBondContact O-NH2 2.83Å; V552-L602 HydrophobicContact CG2-CD1 3.42Å; V552-L602 VanDerWaalsContact CG2-CD1 3.42Å
553	R	97.1	Very high	96	Very high	149 Å²	149	73.5 Å²	73.5	56%	0.562	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-67.9	-21.8	-178.4	-61.3	174	-69.6	161.9	-2.2	112.4	D551 L595 E598	D551-R553 PolarHBondContact O-N 2.95Å; D551-R553 VanDerWaalsContact O-N 3.08Å; D551-R553 VanDerWaalsContact OD1-CB 3.3Å; D551-R553 WeakPolarHBondContact OD1-CB 3.39Å; D551-R553 VanDerWaalsContact OD1-CG 3.31Å; D551-R553 WeakPolarHBondContact OD1-CG 3.37Å; D551-R553 IonicContact OD1-CZ 3.54Å; D551-R553 PolarHBondContact OD1-N 2.84Å; D551-R553 IonicContact OD1-NE 3.72Å; D551-R553 PolarHBondContact OD1-NE 2.88Å; D551-R553 IonicContact OD1-NH2 2.78Å; D551-R553 IonicContact OD2-CZ 2.7Å; D551-R553 IonicContact OD2-NE 3.7Å; D551-R553 PolarHBondContact OD2-NE 2.78Å; D551-R553 IonicContact OD2-NH2 3.84Å; D551-R553 PolarHBondContact OD2-NH2 3.33Å; R553-L595 HydrophobicContact CG-CD2 4.37Å; R553-E598 HydrophobicContact CG-CG 4Å
554	N	97.6	Very high	95.7	Very high	113 Å²	113	66.9 Å²	66.9	60%	0.604	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-87.6	-5.5	176.8	-59.4	-18.5	0	0	0	112.5	D551 V552 T556 H559	D551-N554 WeakPolarHBondContact O-CB 3.47Å; D551-N554 PolarHBondContact O-N 3.14Å; V552-N554 PolarHBondContact O-N 2.89Å; N554-T556 PolarHBondContact O-N 3.35Å; N554-H559 PolarHBondContact O-CE1 3.4Å; N554-H559 PolarHBondContact O-ND1 3.25Å
555	V	97.8	Very high	96.2	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.018	33%	0.325	C	S	.	.			trans	-80.8	115.1	178.8	-176.9	0	0	0	0	109.8	V549 V552 H559 I560 W563 R601 L602	V549-V555 HydrophobicContact CG2-CG2 3.95Å; V552-V555 WeakPolarHBondContact O-CB 3.3Å; V552-V555 PolarHBondContact O-N 2.88Å; V552-V555 VanDerWaalsContact O-N 3.07Å; V555-H559 HydrophobicContact CG1-CB 4.28Å; V555-I560 HydrophobicContact CG1-CD1 3.64Å; V555-I560 HydrophobicContact CG1-CG1 4.06Å; V555-W563 HydrophobicContact CB-CZ3 4.48Å; V555-W563 HydrophobicContact CG1-CH2 4.17Å; V555-W563 HydrophobicContact CG1-CZ3 3.62Å; V555-W563 HydrophobicContact CG2-CH2 4.21Å; V555-W563 HydrophobicContact CG2-CZ3 4.12Å; V555-R601 PolarHBondContact O-NH1 2.89Å; V555-R601 PolarHBondContact O-NH2 3.11Å; V555-L602 HydrophobicContact CB-CD1 3.88Å; V555-L602 HydrophobicContact CB-CD2 4.07Å; V555-L602 HydrophobicContact CG1-CD1 3.98Å; V555-L602 HydrophobicContact CG1-CD2 3.71Å; V555-L602 HydrophobicContact CG2-CD1 4.48Å
556	T	96.8	Very high	96.4	Very high	61 Å²	61	61.4 Å²	61.4	37%	0.374	30%	0.3	S	S	.	.			trans	-97.3	164.2	-177.2	69.4	0	0	0	0	112	N554 K558 H559 I560	N554-T556 PolarHBondContact O-N 3.35Å; T556-K558 PolarHBondContact O-N 2.95Å; T556-K558 PolarHBondContact OG1-N 3.18Å; T556-H559 PolarHBondContact N-ND1 3.06Å; T556-H559 WeakPolarHBondContact O-CB 3.22Å; T556-H559 PolarHBondContact O-N 3.42Å; T556-H559 VanDerWaalsContact O-N 3.1Å; T556-H559 PolarHBondContact OG1-CD2 3.47Å; T556-H559 VanDerWaalsContact OG1-CG 3.28Å; T556-H559 PolarHBondContact OG1-N 2.65Å; T556-I560 PolarHBondContact O-N 2.72Å
557	R	95.4	Very high	96.4	Very high	145 Å²	145	61 Å²	61	55%	0.547	30%	0.299	S	S	.	.	H	α-helix	trans	-48.3	-44.5	168.5	177.2	171.4	-113.5	-163.5	0.8	112.4	H559 I560 Q561 E605	R557-H559 PolarHBondContact O-N 2.94Å; R557-I560 PolarHBondContact O-N 3.43Å; R557-Q561 WeakPolarHBondContact O-CG 3.28Å; R557-Q561 PolarHBondContact O-N 3.05Å; R557-Q561 VanDerWaalsContact O-N 3.13Å; R557-E605 VanDerWaalsContact CB-OE1 3.31Å; R557-E605 WeakPolarHBondContact CB-OE1 3.47Å; R557-E605 WeakPolarHBondContact CD-OE1 3.35Å; R557-E605 WeakPolarHBondContact CG-OE1 3.42Å; R557-E605 IonicContact CZ-OE1 3.95Å; R557-E605 IonicContact CZ-OE2 2.69Å; R557-E605 IonicContact NE-OE1 2.87Å; R557-E605 PolarHBondContact NE-OE1 2.85Å; R557-E605 IonicContact NE-OE2 3.2Å; R557-E605 PolarHBondContact NE-OE2 2.97Å; R557-E605 IonicContact NH2-OE1 3.48Å; R557-E605 IonicContact NH2-OE2 3.8Å; R557-E605 PolarHBondContact NH2-OE2 3.07Å
558	K	96.8	Very high	96.5	Very high	127 Å²	127	56.3 Å²	56.3	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-46.2	179.7	178.3	179.1	167.7	179.6	0	111	T556 I560 Q561 E562	T556-K558 PolarHBondContact O-N 2.95Å; T556-K558 PolarHBondContact OG1-N 3.18Å; K558-I560 VanDerWaalsContact C-N 3.35Å; K558-I560 PolarHBondContact O-N 2.99Å; K558-Q561 PolarHBondContact O-N 2.93Å; K558-Q561 VanDerWaalsContact O-N 3.13Å; K558-E562 WeakPolarHBondContact CE-OE1 3.39Å; K558-E562 WeakPolarHBondContact CE-OE2 3.46Å; K558-E562 HydrophobicContact CG-CG 4.33Å; K558-E562 IonicContact NZ-OE1 3.9Å; K558-E562 PolarHBondContact NZ-OE1 3.08Å; K558-E562 WeakPolarHBondContact O-CG 3.44Å; K558-E562 PolarHBondContact O-N 2.94Å
559	H	97.6	Very high	96.5	Very high	57 Å²	57	54 Å²	54	26%	0.264	27%	0.266	S	S	.	.	H	α-helix	trans	-59.6	-43.2	177.4	-61.8	168.2	0	0	0	112.1	N554 V555 T556 R557 Q561 E562 W563	N554-H559 PolarHBondContact O-CE1 3.4Å; N554-H559 PolarHBondContact O-ND1 3.25Å; V555-H559 HydrophobicContact CG1-CB 4.28Å; T556-H559 PolarHBondContact N-ND1 3.06Å; T556-H559 WeakPolarHBondContact O-CB 3.22Å; T556-H559 PolarHBondContact O-N 3.42Å; T556-H559 VanDerWaalsContact O-N 3.1Å; T556-H559 PolarHBondContact OG1-CD2 3.47Å; T556-H559 VanDerWaalsContact OG1-CG 3.28Å; T556-H559 PolarHBondContact OG1-N 2.65Å; R557-H559 PolarHBondContact O-N 2.94Å; H559-Q561 VanDerWaalsContact C-N 3.28Å; H559-Q561 PolarHBondContact O-N 3.21Å; H559-E562 IonicContact CD2-OE2 3.25Å; H559-E562 PolarHBondContact O-N 3.35Å; H559-W563 HydrophobicContact CB-CD2 4.02Å; H559-W563 HydrophobicContact CB-CE3 4Å; H559-W563 HydrophobicContact CB-CH2 3.57Å; H559-W563 HydrophobicContact CB-CZ2 3.58Å; H559-W563 HydrophobicContact CB-CZ3 3.79Å; H559-W563 AromaticContact CG-CH2 3.92Å; H559-W563 AromaticContact CG-CZ2 3.77Å; H559-W563 AromaticContact ND1-CH2 3.86Å; H559-W563 AromaticContact ND1-CZ2 3.98Å; H559-W563 VanDerWaalsContact O-CB 3.3Å; H559-W563 WeakPolarHBondContact O-CB 3.2Å; H559-W563 VanDerWaalsContact O-CD2 3.25Å; H559-W563 PolarHBondContact O-N 3.22Å
560	I	97.1	Very high	96.6	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-36.2	176.8	-61.7	-56	0	0	0	112	L502 V555 T556 R557 K558 W563 G564 F566 L602 E605 A606	L502-I560 HydrophobicContact CD1-CD1 4.43Å; L502-I560 HydrophobicContact CD2-CD1 3.69Å; V555-I560 HydrophobicContact CG1-CD1 3.64Å; V555-I560 HydrophobicContact CG1-CG1 4.06Å; T556-I560 PolarHBondContact O-N 2.72Å; R557-I560 PolarHBondContact O-N 3.43Å; K558-I560 VanDerWaalsContact C-N 3.35Å; K558-I560 PolarHBondContact O-N 2.99Å; I560-W563 HydrophobicContact CD1-CE3 4.49Å; I560-G564 WeakPolarHBondContact O-CA 3.46Å; I560-G564 PolarHBondContact O-N 3.23Å; I560-F566 HydrophobicContact CD1-CE2 4.24Å; I560-F566 HydrophobicContact CG2-CD2 4.32Å; I560-F566 HydrophobicContact CG2-CE2 4.28Å; I560-L602 HydrophobicContact CD1-CD2 4.15Å; I560-L602 HydrophobicContact CG1-CD2 3.94Å; I560-E605 HydrophobicContact CG2-CB 4.48Å; I560-E605 WeakPolarHBondContact CG2-O 3.45Å; I560-A606 HydrophobicContact CG2-CB 3.93Å
561	Q	93.9	Very high	96.7	Very high	126 Å²	126	50.9 Å²	50.9	59%	0.589	24%	0.241	S	C	*	.	H	α-helix	trans	-73.4	-35.3	176.4	-67.8	172.6	1.1	0	0	113.1	R557 K558 H559	R557-Q561 WeakPolarHBondContact O-CG 3.28Å; R557-Q561 PolarHBondContact O-N 3.05Å; R557-Q561 VanDerWaalsContact O-N 3.13Å; K558-Q561 PolarHBondContact O-N 2.93Å; K558-Q561 VanDerWaalsContact O-N 3.13Å; H559-Q561 VanDerWaalsContact C-N 3.28Å; H559-Q561 PolarHBondContact O-N 3.21Å
562	E	96.1	Very high	96.6	Very high	109 Å²	109	50 Å²	50	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-76.4	-32.9	177.3	-70.9	174.2	144.4	0	0	112.9	K558 H559	K558-E562 WeakPolarHBondContact CE-OE1 3.39Å; K558-E562 WeakPolarHBondContact CE-OE2 3.46Å; K558-E562 HydrophobicContact CG-CG 4.33Å; K558-E562 IonicContact NZ-OE1 3.9Å; K558-E562 PolarHBondContact NZ-OE1 3.08Å; K558-E562 WeakPolarHBondContact O-CG 3.44Å; K558-E562 PolarHBondContact O-N 2.94Å; H559-E562 IonicContact CD2-OE2 3.25Å; H559-E562 PolarHBondContact O-N 3.35Å
563	W	96.1	Very high	96.4	Very high	40 Å²	40	50 Å²	50	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-91.5	-23.7	-178.8	-55.5	-20.9	0	0	0	113.8	R524 V526 V549 V555 H559 I560 F566	R524-W563 WeakPolarHBondContact CD-O 3.48Å; R524-W563 PolarHBondContact NH1-O 3.19Å; V526-W563 HydrophobicContact CG1-CD2 4.31Å; V526-W563 HydrophobicContact CG1-CE3 3.79Å; V526-W563 HydrophobicContact CG1-CZ3 4.15Å; V526-W563 HydrophobicContact CG2-CB 4.33Å; V549-W563 HydrophobicContact CB-CH2 3.53Å; V549-W563 HydrophobicContact CB-CZ2 4.16Å; V549-W563 HydrophobicContact CB-CZ3 4.02Å; V549-W563 HydrophobicContact CG1-CE3 4.3Å; V549-W563 HydrophobicContact CG1-CH2 3.42Å; V549-W563 VanDerWaalsContact CG1-CH2 3.42Å; V549-W563 HydrophobicContact CG1-CZ2 3.7Å; V549-W563 HydrophobicContact CG1-CZ3 3.74Å; V549-W563 HydrophobicContact CG2-CH2 3.87Å; V549-W563 HydrophobicContact CG2-CZ3 3.9Å; V555-W563 HydrophobicContact CB-CZ3 4.48Å; V555-W563 HydrophobicContact CG1-CH2 4.17Å; V555-W563 HydrophobicContact CG1-CZ3 3.62Å; V555-W563 HydrophobicContact CG2-CH2 4.21Å; V555-W563 HydrophobicContact CG2-CZ3 4.12Å; H559-W563 HydrophobicContact CB-CD2 4.02Å; H559-W563 HydrophobicContact CB-CE3 4Å; H559-W563 HydrophobicContact CB-CH2 3.57Å; H559-W563 HydrophobicContact CB-CZ2 3.58Å; H559-W563 HydrophobicContact CB-CZ3 3.79Å; H559-W563 AromaticContact CG-CH2 3.92Å; H559-W563 AromaticContact CG-CZ2 3.77Å; H559-W563 AromaticContact ND1-CH2 3.86Å; H559-W563 AromaticContact ND1-CZ2 3.98Å; H559-W563 VanDerWaalsContact O-CB 3.3Å; H559-W563 WeakPolarHBondContact O-CB 3.2Å; H559-W563 VanDerWaalsContact O-CD2 3.25Å; H559-W563 PolarHBondContact O-N 3.22Å; I560-W563 HydrophobicContact CD1-CE3 4.49Å; W563-F566 HydrophobicContact CB-CE2 4.15Å; W563-F566 HydrophobicContact CB-CZ 3.67Å
564	G	85.9	Confident	96.3	Very high	16 Å²	16	45.4 Å²	45.4	17%	0.165	23%	0.23	C	C	.	.			trans	-86.4	-160	-179.6	0	0	0	0	0	114.4	I560	I560-G564 WeakPolarHBondContact O-CA 3.46Å; I560-G564 PolarHBondContact O-N 3.23Å
565	P	95.6	Very high	96	Very high	72 Å²	72	41.9 Å²	41.9	47%	0.468	21%	0.214	S	C	.	.			cis	-59.1	148.8	-7.3	-22.2	31.5	0	0	0	113	R500	R500-P565 WeakPolarHBondContact CD-O 3.47Å; R500-P565 PolarHBondContact NE-O 2.85Å; R500-P565 PolarHBondContact NH1-O 3.01Å
566	F	98.1	Very high	95.6	Very high	2 Å²	2	46 Å²	46	1%	0.009	24%	0.236	C	C	.	.			trans	-103.9	143.6	173.2	-64.5	-74.9	0	0	0	110.3	L502 V526 I560 W563 V569 A606 R614 F616	L502-F566 HydrophobicContact CB-CB 4.49Å; L502-F566 HydrophobicContact CB-CD1 3.76Å; L502-F566 HydrophobicContact CB-CD2 4.16Å; L502-F566 HydrophobicContact CB-CE1 3.9Å; L502-F566 HydrophobicContact CB-CE2 4.31Å; L502-F566 HydrophobicContact CB-CG 3.88Å; L502-F566 HydrophobicContact CB-CZ 4.17Å; L502-F566 HydrophobicContact CD1-CE1 4.45Å; L502-F566 HydrophobicContact CD1-CE2 4.4Å; L502-F566 HydrophobicContact CD1-CZ 4.09Å; L502-F566 HydrophobicContact CD2-CD2 4.34Å; L502-F566 HydrophobicContact CD2-CE2 4.32Å; V526-F566 HydrophobicContact CB-CE1 4.05Å; V526-F566 HydrophobicContact CB-CZ 4.15Å; V526-F566 HydrophobicContact CG2-CE1 3.74Å; V526-F566 HydrophobicContact CG2-CZ 3.88Å; I560-F566 HydrophobicContact CD1-CE2 4.24Å; I560-F566 HydrophobicContact CG2-CD2 4.32Å; I560-F566 HydrophobicContact CG2-CE2 4.28Å; W563-F566 HydrophobicContact CB-CE2 4.15Å; W563-F566 HydrophobicContact CB-CZ 3.67Å; F566-V569 HydrophobicContact CB-CG2 4.5Å; F566-A606 HydrophobicContact CD2-CB 4.39Å; F566-R614 PolarHBondContact O-NH1 3.14Å; F566-F616 WeakPolarHBondContact O-CD2 3.47Å
567	D	98.4	Very high	95.4	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.032	22%	0.224	C	C	.	.	S	Bend	trans	-105.5	-18.7	178.5	-48.6	-61.2	0	0	0	112	I499 R500 R614 F617 F774	I499-D567 HydrophobicContact CG1-CB 4.2Å; R500-D567 WeakPolarHBondContact CB-OD2 3.43Å; R500-D567 IonicContact CZ-OD1 2.75Å; R500-D567 IonicContact CZ-OD2 2.98Å; R500-D567 PolarHBondContact N-OD2 2.94Å; R500-D567 VanDerWaalsContact N-OD2 3.14Å; R500-D567 IonicContact NE-OD1 3.14Å; R500-D567 IonicContact NE-OD2 2.79Å; R500-D567 PolarHBondContact NE-OD2 3.06Å; R500-D567 VanDerWaalsContact NH2-CG 3.32Å; R500-D567 IonicContact NH2-OD1 2.7Å; R500-D567 PolarHBondContact NH2-OD1 3.23Å; R500-D567 IonicContact NH2-OD2 3.41Å; R500-D567 PolarHBondContact NH2-OD2 3.15Å; R500-D567 VanDerWaalsContact NH2-OD2 3.17Å; R500-D567 PolarHBondContact O-N 3.02Å; D567-R614 WeakPolarHBondContact OD1-CD 3.48Å; D567-R614 IonicContact OD1-CZ 3.64Å; D567-R614 IonicContact OD1-NH1 2.9Å; D567-R614 PolarHBondContact OD1-NH1 3.47Å; D567-F617 PolarHBondContact O-N 3.39Å; D567-F774 HydrophobicContact CB-CE1 3.57Å; D567-F774 HydrophobicContact CB-CZ 3.68Å
568	L	98.8	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.8	177.9	175.9	62.3	0	0	0	111.1	I499 R500 V501 L502 L515 I570 F617 L663 F767 L770	I499-L568 HydrophobicContact CD1-CB 3.8Å; I499-L568 HydrophobicContact CD1-CD2 3.81Å; I499-L568 HydrophobicContact CD1-CG 4.43Å; I499-L568 HydrophobicContact CG1-CB 4.21Å; R500-L568 PolarHBondContact O-N 2.98Å; R500-L568 VanDerWaalsContact O-N 3.14Å; V501-L568 WeakPolarHBondContact CA-O 3.4Å; V501-L568 HydrophobicContact CG1-CB 4.43Å; V501-L568 HydrophobicContact CG1-CD2 4.16Å; V501-L568 HydrophobicContact CG1-CG 4.21Å; V501-L568 HydrophobicContact CG2-CB 4.37Å; V501-L568 HydrophobicContact CG2-CD2 4.24Å; L502-L568 PolarHBondContact N-O 3.18Å; L515-L568 HydrophobicContact CD1-CD2 4.48Å; L568-I570 HydrophobicContact CD1-CG2 3.6Å; L568-I570 HydrophobicContact CD2-CG2 4.15Å; L568-I570 HydrophobicContact CG-CG2 3.73Å; L568-F617 CarbonylContact C-O 3.59Å; L568-F617 VanDerWaalsContact CA-O 3.26Å; L568-F617 WeakPolarHBondContact CA-O 3.4Å; L568-F617 HydrophobicContact CD1-CB 3.85Å; L568-L663 HydrophobicContact CD1-CD2 4.33Å; L568-F767 HydrophobicContact CD2-CZ 4.32Å; L568-L770 HydrophobicContact CD2-CD1 4.03Å
569	V	98.8	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.1	175.1	-177.6	0	0	0	0	110.5	L502 F566 F599 L603 A606 F616 F617 W618 L619	L502-V569 HydrophobicContact CB-CG2 4.32Å; L502-V569 HydrophobicContact CD2-CG1 4.27Å; L502-V569 HydrophobicContact CD2-CG2 4.46Å; L502-V569 WeakPolarHBondContact O-CA 3.46Å; F566-V569 HydrophobicContact CB-CG2 4.5Å; V569-F599 HydrophobicContact CG1-CE2 4.12Å; V569-L603 HydrophobicContact CB-CD1 4.12Å; V569-L603 HydrophobicContact CG1-CD1 4.28Å; V569-L603 HydrophobicContact CG2-CD1 4.49Å; V569-A606 HydrophobicContact CG2-CB 3.79Å; V569-F616 HydrophobicContact CB-CZ 4.43Å; V569-F616 HydrophobicContact CG2-CE2 3.72Å; V569-F616 HydrophobicContact CG2-CZ 3.64Å; V569-F617 PolarHBondContact N-O 2.95Å; V569-W618 HydrophobicContact CB-CB 4.25Å; V569-W618 CarbonylContact O-C 3.58Å; V569-W618 WeakPolarHBondContact O-CA 3.3Å; V569-W618 VanDerWaalsContact O-CB 3.31Å; V569-W618 WeakPolarHBondContact O-CB 3.47Å; V569-L619 PolarHBondContact O-N 3.16Å
570	I	98.8	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152	-174	64.1	-178.1	0	0	0	112.4	V501 L502 S503 L504 L568 L619 W758 F767	V501-I570 HydrophobicContact CG1-CD1 4.08Å; V501-I570 HydrophobicContact CG1-CG1 4.29Å; L502-I570 PolarHBondContact O-N 2.66Å; S503-I570 WeakPolarHBondContact CA-O 3.4Å; L504-I570 PolarHBondContact N-O 2.86Å; L568-I570 HydrophobicContact CD1-CG2 3.6Å; L568-I570 HydrophobicContact CD2-CG2 4.15Å; L568-I570 HydrophobicContact CG-CG2 3.73Å; I570-L619 CarbonylContact C-O 3.55Å; I570-L619 VanDerWaalsContact CA-O 3.3Å; I570-L619 WeakPolarHBondContact CA-O 3.47Å; I570-L619 HydrophobicContact CG2-CB 4.04Å; I570-W758 HydrophobicContact CB-CH2 4.18Å; I570-W758 HydrophobicContact CD1-CH2 4.4Å; I570-W758 HydrophobicContact CD1-CZ3 4.24Å; I570-W758 HydrophobicContact CG1-CH2 4.41Å; I570-F767 HydrophobicContact CD1-CE2 4.48Å; I570-F767 HydrophobicContact CD1-CZ 3.97Å; I570-F767 HydrophobicContact CG2-CE1 4.29Å; I570-F767 HydrophobicContact CG2-CZ 4.03Å
571	G	97.7	Very high	93.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	161.9	170.1	0	0	0	0	0	116.1	L504 L619 F620 E621	L504-G571 WeakPolarHBondContact O-CA 3.44Å; G571-L619 PolarHBondContact N-O 3.12Å; G571-F620 WeakPolarHBondContact O-CA 3.48Å; G571-F620 WeakPolarHBondContact O-CD2 3.29Å; G571-E621 PolarHBondContact O-N 3.21Å
572	G	95.7	Very high	93.4	Very high	16 Å²	16	33.7 Å²	33.7	17%	0.165	19%	0.194	C	C	.	.			trans	-138.5	95.7	176.5	0	0	0	0	0	110.7	F505 E621	F505-G572 WeakPolarHBondContact CB-O 3.45Å; G572-E621 WeakPolarHBondContact CA-O 3.42Å
573	S	95.4	Very high	92.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	21%	0.207	C	C	.	.			trans	-71.3	149.2	-172.2	72.6	0	0	0	0	112.4	C575 F620 N622	S573-C575 PolarHBondContact O-N 2.84Å; S573-F620 WeakPolarHBondContact OG-CZ 3.37Å; S573-N622 PolarHBondContact O-ND2 2.98Å
574	P	94.3	Very high	92.5	Very high	52 Å²	52	35.6 Å²	35.6	34%	0.338	23%	0.227	S	C	.	.			trans	-58.4	107.8	-170.1	-27.8	36.1	0	0	0	114.7	N576 S592 L595	P574-N576 PolarHBondContact O-N 3.28Å; P574-S592 PolarHBondContact O-OG 3.29Å; P574-L595 HydrophobicContact CG-CD1 4Å
575	C	91	Very high	92.8	Very high	39 Å²	39	40.4 Å²	40.4	26%	0.264	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-69.5	-3.3	-170.9	64.7	0	0	0	0	116.4	S573 D577 L578 S579 N622 V623	S573-C575 PolarHBondContact O-N 2.84Å; C575-D577 VanDerWaalsContact C-N 3.32Å; C575-D577 PolarHBondContact O-N 2.75Å; C575-L578 PolarHBondContact O-N 2.92Å; C575-L578 VanDerWaalsContact O-N 3.09Å; C575-S579 WeakPolarHBondContact O-CB 3.12Å; C575-S579 PolarHBondContact O-N 2.94Å; C575-N622 WeakPolarHBondContact CB-OD1 3.35Å; C575-V623 HydrophobicContact CB-CB 4.38Å; C575-V623 HydrophobicContact CB-CG1 3.64Å; C575-V623 HydrophobicContact CB-CG2 3.88Å
576	N	90.1	Very high	92.6	Very high	90 Å²	90	43.8 Å²	43.8	48%	0.481	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56.7	-41.1	-174	-74.3	-6.8	0	0	0	113.4	P574 N582	P574-N576 PolarHBondContact O-N 3.28Å; N576-N582 WeakPolarHBondContact O-CB 3.17Å; N576-N582 PolarHBondContact O-ND2 3.32Å
577	D	92.1	Very high	92.4	Very high	22 Å²	22	44.4 Å²	44.4	12%	0.118	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-89.8	-10.1	179.2	-83.6	-57.5	0	0	0	113.9	C575 R585 K586 G587 G591 S592	C575-D577 VanDerWaalsContact C-N 3.32Å; C575-D577 PolarHBondContact O-N 2.75Å; D577-R585 WeakPolarHBondContact O-CB 3.41Å; D577-K586 HydrophobicContact CB-CB 4.35Å; D577-K586 PolarHBondContact O-N 3.46Å; D577-K586 WeakPolarHBondContact OD1-CB 3.47Å; D577-K586 WeakPolarHBondContact OD1-CG 3.31Å; D577-K586 PolarHBondContact OD1-N 3.29Å; D577-G587 WeakPolarHBondContact O-CA 3.45Å; D577-G587 PolarHBondContact O-N 3.28Å; D577-G591 VanDerWaalsContact OD2-CA 3.28Å; D577-G591 WeakPolarHBondContact OD2-CA 3.25Å; D577-S592 PolarHBondContact OD2-N 2.88Å; D577-S592 PolarHBondContact OD2-OG 2.84Å
578	L	90.4	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-30.7	173.2	-65.3	173.6	0	0	0	112.1	C575 V588 N622 M626 D630 I634	C575-L578 PolarHBondContact O-N 2.92Å; C575-L578 VanDerWaalsContact O-N 3.09Å; L578-V588 HydrophobicContact CD2-CB 3.68Å; L578-V588 HydrophobicContact CD2-CG2 4.1Å; L578-N622 WeakPolarHBondContact CD1-OD1 3.48Å; L578-M626 HydrophobicContact CB-CB 4.42Å; L578-M626 WeakPolarHBondContact O-CA 3.3Å; L578-D630 HydrophobicContact CD2-CB 4.26Å; L578-I634 HydrophobicContact CD1-CD1 4.46Å
579	S	89.4	Confident	91.9	Very high	12 Å²	12	50.4 Å²	50.4	8%	0.084	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-81.3	131.8	-166.2	-163	0	0	0	0	114.2	C575 V581 N582 R585 A625	C575-S579 WeakPolarHBondContact O-CB 3.12Å; C575-S579 PolarHBondContact O-N 2.94Å; S579-V581 PolarHBondContact O-N 2.79Å; S579-N582 PolarHBondContact O-N 3.08Å; S579-N582 VanDerWaalsContact O-N 3.08Å; S579-R585 WeakPolarHBondContact O-CD 3.3Å; S579-A625 CarbonylContact C-O 3.29Å; S579-A625 WeakPolarHBondContact CA-O 3.48Å; S579-A625 PolarHBondContact OG-O 3.2Å
580	I	87.1	Confident	91.5	Very high	89 Å²	89	51 Å²	51	46%	0.456	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.6	179.7	67.3	-179	0	0	0	113.4	N582 A625	I580-N582 PolarHBondContact O-N 3.18Å; I580-A625 HydrophobicContact CD1-CB 4.46Å; I580-A625 HydrophobicContact CG1-CB 4.16Å; I580-A625 PolarHBondContact N-O 2.63Å
581	V	84.2	Confident	91.2	Very high	109 Å²	109	52.3 Å²	52.3	66%	0.661	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.4	175.9	-49	0	0	0	0	113.3	S579	S579-V581 PolarHBondContact O-N 2.79Å
582	N	86.8	Confident	90.9	Very high	31 Å²	31	53.5 Å²	53.5	17%	0.166	31%	0.306	C	S	.	.			trans	-99.9	112	167.3	179.6	18.7	0	0	0	109.6	N576 S579 I580 A584 R585	N576-N582 WeakPolarHBondContact O-CB 3.17Å; N576-N582 PolarHBondContact O-ND2 3.32Å; S579-N582 PolarHBondContact O-N 3.08Å; S579-N582 VanDerWaalsContact O-N 3.08Å; I580-N582 PolarHBondContact O-N 3.18Å; N582-A584 PolarHBondContact O-N 3Å; N582-A584 PolarHBondContact OD1-N 2.82Å; N582-R585 HydrophobicContact CB-CB 4.15Å; N582-R585 PolarHBondContact ND2-N 3.07Å; N582-R585 VanDerWaalsContact O-CB 3.31Å; N582-R585 WeakPolarHBondContact O-CB 3.35Å; N582-R585 WeakPolarHBondContact O-CG 3.36Å; N582-R585 PolarHBondContact O-N 2.95Å
583	P	85.1	Confident	90.8	Very high	119 Å²	119	52.8 Å²	52.8	77%	0.773	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.6	174.3	-24	35.1	0	0	0	113	R585	P583-R585 VanDerWaalsContact C-N 3.31Å; P583-R585 PolarHBondContact O-N 3.31Å
584	A	89.5	Confident	90.8	Very high	70 Å²	70	59.1 Å²	59.1	58%	0.579	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	22.8	-179.5	0	0	0	0	0	113.3	N582	N582-A584 PolarHBondContact O-N 3Å; N582-A584 PolarHBondContact OD1-N 2.82Å
585	R	91.1	Very high	91	Very high	117 Å²	117	58.1 Å²	58.1	44%	0.442	31%	0.313	S	S	.	.			trans	-65.4	146.9	179	73.3	-174.9	-174.7	-77.1	-5.8	111.6	D577 S579 N582 P583	D577-R585 WeakPolarHBondContact O-CB 3.41Å; S579-R585 WeakPolarHBondContact O-CD 3.3Å; N582-R585 HydrophobicContact CB-CB 4.15Å; N582-R585 PolarHBondContact ND2-N 3.07Å; N582-R585 VanDerWaalsContact O-CB 3.31Å; N582-R585 WeakPolarHBondContact O-CB 3.35Å; N582-R585 WeakPolarHBondContact O-CG 3.36Å; N582-R585 PolarHBondContact O-N 2.95Å; P583-R585 VanDerWaalsContact C-N 3.31Å; P583-R585 PolarHBondContact O-N 3.31Å
586	K	92.9	Very high	91.3	Very high	144 Å²	144	56.2 Å²	56.2	63%	0.626	30%	0.3	S	S	*	.			trans	-112.5	3	-178.4	-60.3	175.8	180	179	0	114.8	D577 G590	D577-K586 HydrophobicContact CB-CB 4.35Å; D577-K586 PolarHBondContact O-N 3.46Å; D577-K586 WeakPolarHBondContact OD1-CB 3.47Å; D577-K586 WeakPolarHBondContact OD1-CG 3.31Å; D577-K586 PolarHBondContact OD1-N 3.29Å; K586-G590 WeakPolarHBondContact O-CA 3.49Å; K586-G590 PolarHBondContact O-N 2.94Å
587	G	91.9	Very high	91.7	Very high	14 Å²	14	54.2 Å²	54.2	14%	0.144	29%	0.287	C	S	.	.			trans	71.6	178.9	-178.8	0	0	0	0	0	113.3	D577 Y589 G590 D630	D577-G587 WeakPolarHBondContact O-CA 3.45Å; D577-G587 PolarHBondContact O-N 3.28Å; G587-Y589 VanDerWaalsContact C-N 3.28Å; G587-Y589 PolarHBondContact O-N 2.85Å; G587-G590 PolarHBondContact O-N 3.26Å; G587-D630 WeakPolarHBondContact CA-OD1 3.45Å
588	V	94.3	Very high	92	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-31.2	-176.1	68.8	0	0	0	0	113.4	L578 G590 G593 R594 F596 F597 D630 I634	L578-V588 HydrophobicContact CD2-CB 3.68Å; L578-V588 HydrophobicContact CD2-CG2 4.1Å; V588-G590 VanDerWaalsContact C-N 3.35Å; V588-G593 CarbonylContact O-C 3.52Å; V588-R594 VanDerWaalsContact O-CA 3.27Å; V588-R594 WeakPolarHBondContact O-CA 3.27Å; V588-R594 PolarHBondContact O-N 3.2Å; V588-F596 HydrophobicContact CG2-CB 4.13Å; V588-F596 HydrophobicContact CG2-CD1 3.66Å; V588-F596 HydrophobicContact CG2-CG 4.2Å; V588-F597 HydrophobicContact CG1-CZ 4.49Å; V588-F597 HydrophobicContact CG2-CE2 4.13Å; V588-F597 HydrophobicContact CG2-CZ 3.98Å; V588-F597 WeakPolarHBondContact O-CE2 3.4Å; V588-D630 HydrophobicContact CB-CB 4.38Å; V588-D630 PolarHBondContact N-OD1 3.15Å; V588-I634 HydrophobicContact CG2-CD1 4.36Å; V588-I634 HydrophobicContact CG2-CG1 4.12Å
589	Y	93.9	Very high	92.4	Very high	132 Å²	132	55.2 Å²	55.2	52%	0.518	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.4	176.8	-52.8	-77.6	0	0	0	113.3	G587 F597 D633	G587-Y589 VanDerWaalsContact C-N 3.28Å; G587-Y589 PolarHBondContact O-N 2.85Å; Y589-F597 AromaticContact CD1-CE2 3.82Å; Y589-F597 HydrophobicContact CD1-CE2 3.82Å; Y589-F597 AromaticContact CD1-CZ 3.67Å; Y589-F597 HydrophobicContact CD1-CZ 3.67Å; Y589-F597 HydrophobicContact CE1-CE1 4.41Å; Y589-F597 HydrophobicContact CE1-CE2 4.18Å; Y589-F597 AromaticContact CE1-CZ 3.53Å; Y589-F597 HydrophobicContact CE1-CZ 3.53Å; Y589-D633 PolarHBondContact OH-OD2 3.05Å
590	G	89.6	Confident	92.8	Very high	13 Å²	13	58 Å²	58	13%	0.134	30%	0.301	C	S	.	.	S	Bend	trans	-109.4	165.8	-173.8	0	0	0	0	0	114.3	K586 G587 V588 S592 G593 R594	K586-G590 WeakPolarHBondContact O-CA 3.49Å; K586-G590 PolarHBondContact O-N 2.94Å; G587-G590 PolarHBondContact O-N 3.26Å; V588-G590 VanDerWaalsContact C-N 3.35Å; G590-S592 PolarHBondContact O-N 3Å; G590-G593 WeakPolarHBondContact O-CA 3.49Å; G590-G593 PolarHBondContact O-N 3.49Å; G590-R594 PolarHBondContact O-N 3.36Å
591	G	93.1	Very high	93.3	Very high	27 Å²	27	57.5 Å²	57.5	28%	0.278	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	-129.2	169.3	0	0	0	0	0	114.5	D577 R594	D577-G591 VanDerWaalsContact OD2-CA 3.28Å; D577-G591 WeakPolarHBondContact OD2-CA 3.25Å; G591-R594 WeakPolarHBondContact O-CG 3.36Å; G591-R594 PolarHBondContact O-NE 3.36Å
592	S	91.9	Very high	94	Very high	25 Å²	25	52.3 Å²	52.3	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.5	172.2	73	0	0	0	0	114.4	P574 D577 G590 R594 L595	P574-S592 PolarHBondContact O-OG 3.29Å; D577-S592 PolarHBondContact OD2-N 2.88Å; D577-S592 PolarHBondContact OD2-OG 2.84Å; G590-S592 PolarHBondContact O-N 3Å; S592-R594 PolarHBondContact O-N 3.35Å; S592-L595 VanDerWaalsContact O-CB 3.31Å; S592-L595 WeakPolarHBondContact O-CB 3.46Å; S592-L595 WeakPolarHBondContact O-CG 3.33Å; S592-L595 PolarHBondContact O-N 3.03Å; S592-L595 VanDerWaalsContact O-N 3.13Å
593	G	92.2	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-36.5	178.3	0	0	0	0	0	112.2	V588 G590 L595 F596	V588-G593 CarbonylContact O-C 3.52Å; G590-G593 WeakPolarHBondContact O-CA 3.49Å; G590-G593 PolarHBondContact O-N 3.49Å; G593-L595 PolarHBondContact O-N 2.87Å; G593-F596 WeakPolarHBondContact O-CB 3.42Å; G593-F596 PolarHBondContact O-N 2.83Å
594	R	96.1	Very high	94.9	Very high	136 Å²	136	50.2 Å²	50.2	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-22.1	178.6	78	-177.1	61	-151.8	-18.9	114.6	V588 G590 G591 S592 F596 F597	V588-R594 VanDerWaalsContact O-CA 3.27Å; V588-R594 WeakPolarHBondContact O-CA 3.27Å; V588-R594 PolarHBondContact O-N 3.2Å; G590-R594 PolarHBondContact O-N 3.36Å; G591-R594 WeakPolarHBondContact O-CG 3.36Å; G591-R594 PolarHBondContact O-NE 3.36Å; S592-R594 PolarHBondContact O-N 3.35Å; R594-F596 PolarHBondContact O-N 3.33Å; R594-F597 HydrophobicContact CB-CD2 4.46Å; R594-F597 WeakPolarHBondContact O-CB 3.5Å; R594-F597 WeakPolarHBondContact O-CD2 3.47Å; R594-F597 PolarHBondContact O-N 2.71Å
595	L	97.6	Very high	95.2	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-15.8	178.9	-65.3	174.5	0	0	0	112.4	F505 V552 R553 P574 S592 G593 F597 E598 F599	F505-L595 HydrophobicContact CE1-CB 3.87Å; F505-L595 HydrophobicContact CE1-CD1 4.11Å; F505-L595 HydrophobicContact CE1-CD2 4.33Å; F505-L595 HydrophobicContact CE1-CG 4.33Å; F505-L595 HydrophobicContact CZ-CB 3.7Å; F505-L595 WeakPolarHBondContact CZ-O 3.43Å; V552-L595 HydrophobicContact CG1-CD2 4.1Å; R553-L595 HydrophobicContact CG-CD2 4.37Å; P574-L595 HydrophobicContact CG-CD1 4Å; S592-L595 VanDerWaalsContact O-CB 3.31Å; S592-L595 WeakPolarHBondContact O-CB 3.46Å; S592-L595 WeakPolarHBondContact O-CG 3.33Å; S592-L595 PolarHBondContact O-N 3.03Å; S592-L595 VanDerWaalsContact O-N 3.13Å; G593-L595 PolarHBondContact O-N 2.87Å; L595-F597 VanDerWaalsContact C-N 3.29Å; L595-F597 PolarHBondContact O-N 3.09Å; L595-E598 HydrophobicContact CD2-CG 4.35Å; L595-E598 PolarHBondContact O-N 2.81Å; L595-F599 PolarHBondContact O-N 3.15Å
596	F	98.1	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.3	-42.2	163.4	167.2	-114.1	0	0	0	112.5	V588 G593 R594 E598 F599 Y600 F620 I634 F637 L638	V588-F596 HydrophobicContact CG2-CB 4.13Å; V588-F596 HydrophobicContact CG2-CD1 3.66Å; V588-F596 HydrophobicContact CG2-CG 4.2Å; G593-F596 WeakPolarHBondContact O-CB 3.42Å; G593-F596 PolarHBondContact O-N 2.83Å; R594-F596 PolarHBondContact O-N 3.33Å; F596-E598 VanDerWaalsContact C-N 3.25Å; F596-E598 PolarHBondContact O-N 3.14Å; F596-F599 WeakPolarHBondContact O-CB 3.27Å; F596-F599 PolarHBondContact O-N 2.58Å; F596-F599 VanDerWaalsContact O-N 3.11Å; F596-Y600 PolarHBondContact O-N 3.47Å; F596-F620 HydrophobicContact CB-CZ 4.46Å; F596-F620 HydrophobicContact CD2-CD1 4.38Å; F596-F620 AromaticContact CD2-CE1 3.79Å; F596-F620 HydrophobicContact CD2-CE1 3.79Å; F596-F620 HydrophobicContact CD2-CE2 4.08Å; F596-F620 AromaticContact CD2-CZ 3.63Å; F596-F620 HydrophobicContact CD2-CZ 3.63Å; F596-F620 HydrophobicContact CE2-CD1 4.42Å; F596-F620 HydrophobicContact CE2-CE1 4.2Å; F596-F620 HydrophobicContact CE2-CZ 4.44Å; F596-F620 HydrophobicContact CG-CZ 4.46Å; F596-I634 HydrophobicContact CD1-CG1 3.99Å; F596-I634 HydrophobicContact CD2-CG1 4.28Å; F596-I634 HydrophobicContact CD2-CG2 4.38Å; F596-I634 HydrophobicContact CE1-CB 4.4Å; F596-I634 HydrophobicContact CE1-CG1 3.9Å; F596-I634 HydrophobicContact CE2-CB 4.41Å; F596-I634 HydrophobicContact CE2-CG1 4.22Å; F596-I634 HydrophobicContact CE2-CG2 3.79Å; F596-I634 HydrophobicContact CG-CG1 4.18Å; F596-I634 HydrophobicContact CZ-CB 4.13Å; F596-I634 HydrophobicContact CZ-CG1 4.02Å; F596-I634 HydrophobicContact CZ-CG2 3.92Å; F596-F637 HydrophobicContact CE1-CB 3.76Å; F596-F637 HydrophobicContact CE1-CD2 4.17Å; F596-F637 HydrophobicContact CE1-CG 4.11Å; F596-F637 HydrophobicContact CZ-CB 3.65Å; F596-F637 HydrophobicContact CZ-CG 4.49Å; F596-L638 HydrophobicContact CE2-CD1 3.9Å; F596-L638 HydrophobicContact CE2-CD2 4.05Å; F596-L638 HydrophobicContact CE2-CG 3.85Å; F596-L638 HydrophobicContact CZ-CD1 4.4Å; F596-L638 HydrophobicContact CZ-CD2 4.33Å; F596-L638 HydrophobicContact CZ-CG 3.96Å
597	F	98.1	Very high	95.6	Very high	47 Å²	47	42 Å²	42	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-24.6	-178.8	-58.9	-64	0	0	0	112.9	V588 Y589 R594 L595 R601 F637	V588-F597 HydrophobicContact CG1-CZ 4.49Å; V588-F597 HydrophobicContact CG2-CE2 4.13Å; V588-F597 HydrophobicContact CG2-CZ 3.98Å; V588-F597 WeakPolarHBondContact O-CE2 3.4Å; Y589-F597 AromaticContact CD1-CE2 3.82Å; Y589-F597 HydrophobicContact CD1-CE2 3.82Å; Y589-F597 AromaticContact CD1-CZ 3.67Å; Y589-F597 HydrophobicContact CD1-CZ 3.67Å; Y589-F597 HydrophobicContact CE1-CE1 4.41Å; Y589-F597 HydrophobicContact CE1-CE2 4.18Å; Y589-F597 AromaticContact CE1-CZ 3.53Å; Y589-F597 HydrophobicContact CE1-CZ 3.53Å; R594-F597 HydrophobicContact CB-CD2 4.46Å; R594-F597 WeakPolarHBondContact O-CB 3.5Å; R594-F597 WeakPolarHBondContact O-CD2 3.47Å; R594-F597 PolarHBondContact O-N 2.71Å; L595-F597 VanDerWaalsContact C-N 3.29Å; L595-F597 PolarHBondContact O-N 3.09Å; F597-R601 WeakPolarHBondContact O-CB 3.47Å; F597-R601 PolarHBondContact O-N 3.08Å; F597-F637 HydrophobicContact CE1-CD1 4.41Å; F597-F637 AromaticContact CE1-CD2 3.83Å; F597-F637 HydrophobicContact CE1-CD2 3.83Å; F597-F637 HydrophobicContact CE1-CE1 4.21Å; F597-F637 AromaticContact CE1-CE2 3.63Å; F597-F637 HydrophobicContact CE1-CE2 3.63Å; F597-F637 HydrophobicContact CE1-CG 4.24Å; F597-F637 AromaticContact CE1-CZ 3.82Å; F597-F637 HydrophobicContact CE1-CZ 3.82Å; F597-F637 HydrophobicContact CZ-CE2 4.3Å
598	E	98.3	Very high	95.7	Very high	43 Å²	43	42.3 Å²	42.3	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-71.9	-36.7	171.7	-59.7	-64.6	168.9	0	0	111.8	V552 R553 L595 F596 R601 L602	V552-E598 HydrophobicContact CB-CB 4.47Å; V552-E598 HydrophobicContact CG1-CB 3.73Å; V552-E598 HydrophobicContact CG1-CG 3.96Å; V552-E598 HydrophobicContact CG2-CB 3.91Å; R553-E598 HydrophobicContact CG-CG 4Å; L595-E598 HydrophobicContact CD2-CG 4.35Å; L595-E598 PolarHBondContact O-N 2.81Å; F596-E598 VanDerWaalsContact C-N 3.25Å; F596-E598 PolarHBondContact O-N 3.14Å; E598-R601 IonicContact OE2-CZ 3.39Å; E598-R601 IonicContact OE2-NE 2.71Å; E598-R601 PolarHBondContact OE2-NE 2.92Å; E598-R601 IonicContact OE2-NH2 2.79Å; E598-R601 PolarHBondContact OE2-NH2 3.16Å; E598-L602 WeakPolarHBondContact O-CB 3.25Å; E598-L602 VanDerWaalsContact O-CG 3.3Å; E598-L602 WeakPolarHBondContact O-CG 3.42Å; E598-L602 PolarHBondContact O-N 3.46Å
599	F	98.6	Very high	95.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-50.4	169.3	176.2	-88.9	0	0	0	110.9	L504 F505 V569 L595 F596 R601 L602 L603 W618 F620 L638	L504-F599 HydrophobicContact CB-CD2 4.38Å; L504-F599 HydrophobicContact CD1-CD2 3.91Å; F505-F599 HydrophobicContact CE2-CB 4.34Å; V569-F599 HydrophobicContact CG1-CE2 4.12Å; L595-F599 PolarHBondContact O-N 3.15Å; F596-F599 WeakPolarHBondContact O-CB 3.27Å; F596-F599 PolarHBondContact O-N 2.58Å; F596-F599 VanDerWaalsContact O-N 3.11Å; F599-R601 PolarHBondContact O-N 2.91Å; F599-L602 PolarHBondContact O-N 3.43Å; F599-L603 HydrophobicContact CE1-CB 4.32Å; F599-L603 HydrophobicContact CE1-CD2 3.79Å; F599-L603 HydrophobicContact CZ-CD2 4.3Å; F599-L603 VanDerWaalsContact O-CB 3.22Å; F599-L603 WeakPolarHBondContact O-CB 3.25Å; F599-L603 PolarHBondContact O-N 3.33Å; F599-W618 HydrophobicContact CE1-CE3 4.19Å; F599-W618 HydrophobicContact CZ-CE3 4.18Å; F599-F620 HydrophobicContact CB-CD2 4.36Å; F599-F620 HydrophobicContact CB-CE2 4.39Å; F599-F620 HydrophobicContact CD1-CB 4.24Å; F599-F620 AromaticContact CD1-CD2 3.71Å; F599-F620 HydrophobicContact CD1-CD2 3.71Å; F599-F620 HydrophobicContact CD1-CE2 4.43Å; F599-F620 HydrophobicContact CD1-CG 4.17Å; F599-F620 HydrophobicContact CD2-CD2 4.07Å; F599-F620 HydrophobicContact CE1-CB 3.69Å; F599-F620 AromaticContact CE1-CD2 4Å; F599-F620 HydrophobicContact CE1-CD2 4Å; F599-F620 HydrophobicContact CE1-CG 4.12Å; F599-F620 HydrophobicContact CE2-CD2 4.34Å; F599-F620 AromaticContact CG-CD2 3.76Å; F599-F620 HydrophobicContact CG-CD2 3.76Å; F599-F620 HydrophobicContact CG-CE2 4.27Å; F599-F620 HydrophobicContact CZ-CB 3.88Å; F599-F620 HydrophobicContact CZ-CD2 4.31Å; F599-L638 HydrophobicContact CD1-CD2 4.4Å; F599-L638 HydrophobicContact CE1-CD2 4.14Å
600	Y	98.2	Very high	95.2	Very high	72 Å²	72	54.1 Å²	54.1	28%	0.282	25%	0.251	S	S	.	.	H	α-helix	trans	-57	-47.5	178.1	170.5	-108	0	0	0	112.3	F596 L602 L603 H604 F637	F596-Y600 PolarHBondContact O-N 3.47Å; Y600-L602 PolarHBondContact O-N 3.37Å; Y600-L603 PolarHBondContact O-N 2.77Å; Y600-H604 PolarHBondContact O-N 2.93Å; Y600-F637 HydrophobicContact CD1-CD1 4.2Å; Y600-F637 HydrophobicContact CD2-CB 4.45Å; Y600-F637 WeakPolarHBondContact CD2-O 3.41Å; Y600-F637 AromaticContact CE1-CD1 3.99Å; Y600-F637 HydrophobicContact CE1-CD1 3.99Å; Y600-F637 HydrophobicContact CE1-CE1 4.48Å; Y600-F637 WeakPolarHBondContact CE2-O 3.32Å
601	R	97.9	Very high	95	Very high	77 Å²	77	57.1 Å²	57.1	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-49.8	177	-178.3	-179.5	67	80.6	-3.7	111.9	V552 V555 F597 E598 F599 H604 E605	V552-R601 PolarHBondContact O-NH2 2.83Å; V555-R601 PolarHBondContact O-NH1 2.89Å; V555-R601 PolarHBondContact O-NH2 3.11Å; F597-R601 WeakPolarHBondContact O-CB 3.47Å; F597-R601 PolarHBondContact O-N 3.08Å; E598-R601 IonicContact OE2-CZ 3.39Å; E598-R601 IonicContact OE2-NE 2.71Å; E598-R601 PolarHBondContact OE2-NE 2.92Å; E598-R601 IonicContact OE2-NH2 2.79Å; E598-R601 PolarHBondContact OE2-NH2 3.16Å; F599-R601 PolarHBondContact O-N 2.91Å; R601-H604 PolarHBondContact O-N 3Å; R601-E605 WeakPolarHBondContact O-CG 3.37Å; R601-E605 PolarHBondContact O-N 3.49Å; R601-E605 VanDerWaalsContact O-N 3.1Å
602	L	98.1	Very high	94.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-75	-30	-177.3	-65.9	178.2	0	0	0	113	L504 V552 V555 I560 E598 F599 Y600 E605 A606	L504-L602 HydrophobicContact CD1-CB 3.85Å; L504-L602 HydrophobicContact CD1-CD1 3.87Å; L504-L602 HydrophobicContact CD1-CG 4.49Å; L504-L602 HydrophobicContact CD2-CD1 3.95Å; V552-L602 HydrophobicContact CG2-CD1 3.42Å; V552-L602 VanDerWaalsContact CG2-CD1 3.42Å; V555-L602 HydrophobicContact CB-CD1 3.88Å; V555-L602 HydrophobicContact CB-CD2 4.07Å; V555-L602 HydrophobicContact CG1-CD1 3.98Å; V555-L602 HydrophobicContact CG1-CD2 3.71Å; V555-L602 HydrophobicContact CG2-CD1 4.48Å; I560-L602 HydrophobicContact CD1-CD2 4.15Å; I560-L602 HydrophobicContact CG1-CD2 3.94Å; E598-L602 WeakPolarHBondContact O-CB 3.25Å; E598-L602 VanDerWaalsContact O-CG 3.3Å; E598-L602 WeakPolarHBondContact O-CG 3.42Å; E598-L602 PolarHBondContact O-N 3.46Å; F599-L602 PolarHBondContact O-N 3.43Å; Y600-L602 PolarHBondContact O-N 3.37Å; L602-E605 PolarHBondContact O-N 3.43Å; L602-A606 VanDerWaalsContact O-CB 3.26Å; L602-A606 WeakPolarHBondContact O-CB 3.46Å; L602-A606 PolarHBondContact O-N 2.99Å
603	L	97.5	Very high	94.7	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-46	169.5	173.3	60.3	0	0	0	110.9	V569 F599 Y600 A606 R607 F616 W618 L638	V569-L603 HydrophobicContact CB-CD1 4.12Å; V569-L603 HydrophobicContact CG1-CD1 4.28Å; V569-L603 HydrophobicContact CG2-CD1 4.49Å; F599-L603 HydrophobicContact CE1-CB 4.32Å; F599-L603 HydrophobicContact CE1-CD2 3.79Å; F599-L603 HydrophobicContact CZ-CD2 4.3Å; F599-L603 VanDerWaalsContact O-CB 3.22Å; F599-L603 WeakPolarHBondContact O-CB 3.25Å; F599-L603 PolarHBondContact O-N 3.33Å; Y600-L603 PolarHBondContact O-N 2.77Å; L603-A606 PolarHBondContact O-N 2.99Å; L603-R607 WeakPolarHBondContact O-CB 3.17Å; L603-R607 PolarHBondContact O-N 2.82Å; L603-F616 HydrophobicContact CD1-CE1 3.85Å; L603-F616 HydrophobicContact CD1-CZ 3.9Å; L603-W618 HydrophobicContact CD1-CB 3.49Å; L603-W618 VanDerWaalsContact CD1-CB 3.49Å; L603-W618 HydrophobicContact CD1-CD2 4.23Å; L603-W618 HydrophobicContact CD1-CG 3.6Å; L603-W618 HydrophobicContact CD2-CB 4.49Å; L603-W618 HydrophobicContact CD2-CD2 3.72Å; L603-W618 HydrophobicContact CD2-CE3 3.85Å; L603-W618 HydrophobicContact CD2-CG 4.01Å; L603-W618 HydrophobicContact CD2-CZ3 4.43Å; L603-W618 HydrophobicContact CG-CG 4.47Å; L603-L638 HydrophobicContact CD2-CD2 4.16Å
604	H	95.1	Very high	94.7	Very high	103 Å²	103	65.4 Å²	65.4	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-37	178.1	-162.8	100.2	0	0	0	112.1	Y600 R601	Y600-H604 PolarHBondContact O-N 2.93Å; R601-H604 PolarHBondContact O-N 3Å
605	E	96	Very high	94.6	Very high	49 Å²	49	60.1 Å²	60.1	23%	0.229	30%	0.297	C	S	.	.	H	α-helix	trans	-74.9	-21.3	177.1	-66.3	-75.2	-140.1	0	0	114.4	R557 I560 R601 L602	R557-E605 VanDerWaalsContact CB-OE1 3.31Å; R557-E605 WeakPolarHBondContact CB-OE1 3.47Å; R557-E605 WeakPolarHBondContact CD-OE1 3.35Å; R557-E605 WeakPolarHBondContact CG-OE1 3.42Å; R557-E605 IonicContact CZ-OE1 3.95Å; R557-E605 IonicContact CZ-OE2 2.69Å; R557-E605 IonicContact NE-OE1 2.87Å; R557-E605 PolarHBondContact NE-OE1 2.85Å; R557-E605 IonicContact NE-OE2 3.2Å; R557-E605 PolarHBondContact NE-OE2 2.97Å; R557-E605 IonicContact NH2-OE1 3.48Å; R557-E605 IonicContact NH2-OE2 3.8Å; R557-E605 PolarHBondContact NH2-OE2 3.07Å; I560-E605 HydrophobicContact CG2-CB 4.48Å; I560-E605 WeakPolarHBondContact CG2-O 3.45Å; R601-E605 WeakPolarHBondContact O-CG 3.37Å; R601-E605 PolarHBondContact O-N 3.49Å; R601-E605 VanDerWaalsContact O-N 3.1Å; L602-E605 PolarHBondContact O-N 3.43Å
606	A	96.3	Very high	94.6	Very high	9 Å²	9	58.8 Å²	58.8	7%	0.074	29%	0.29	C	S	.	.	H	α-helix	trans	-93.6	-14	175.2	0	0	0	0	0	113.6	I560 F566 V569 L602 L603 F616	I560-A606 HydrophobicContact CG2-CB 3.93Å; F566-A606 HydrophobicContact CD2-CB 4.39Å; V569-A606 HydrophobicContact CG2-CB 3.79Å; L602-A606 VanDerWaalsContact O-CB 3.26Å; L602-A606 WeakPolarHBondContact O-CB 3.46Å; L602-A606 PolarHBondContact O-N 2.99Å; L603-A606 PolarHBondContact O-N 2.99Å; A606-F616 HydrophobicContact CB-CE2 4.37Å; A606-F616 HydrophobicContact CB-CZ 4.35Å; A606-F616 VanDerWaalsContact O-CE2 3.26Å; A606-F616 WeakPolarHBondContact O-CE2 3.35Å
607	R	94.4	Very high	94.6	Very high	100 Å²	100	58.9 Å²	58.9	38%	0.377	29%	0.291	S	S	.	.	S	Bend	trans	-60.1	139.1	179.6	-167.8	-178.5	-83.2	-165.8	-0.9	110	L603 F616 E639	L603-R607 WeakPolarHBondContact O-CB 3.17Å; L603-R607 PolarHBondContact O-N 2.82Å; R607-F616 HydrophobicContact CB-CE1 4.22Å; R607-F616 HydrophobicContact CB-CZ 4.46Å; R607-F616 HydrophobicContact CG-CD1 4.5Å; R607-F616 HydrophobicContact CG-CE1 4.25Å; R607-E639 IonicContact NH1-OE2 3.83Å; R607-E639 IonicContact NH2-OE2 3.53Å
608	P	93.8	Very high	94.6	Very high	20 Å²	20	57.5 Å²	57.5	13%	0.13	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-51.9	147.7	169.5	-24.9	31.7	0	0	0	111.5	D612 F616	P608-D612 HydrophobicContact CB-CB 3.86Å; P608-F616 HydrophobicContact CG-CB 3.42Å; P608-F616 VanDerWaalsContact CG-CB 3.42Å; P608-F616 HydrophobicContact CG-CD1 4.36Å; P608-F616 HydrophobicContact CG-CD2 4.21Å; P608-F616 HydrophobicContact CG-CG 3.77Å
609	K	90.5	Very high	94.6	Very high	178 Å²	178	55.4 Å²	55.4	77%	0.774	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-72.5	159.3	169.1	-64.5	-178	-178.4	178.8	0	109.6	G611 D612	K609-G611 PolarHBondContact O-N 3.07Å; K609-D612 WeakPolarHBondContact O-CB 2.99Å; K609-D612 PolarHBondContact O-N 3.07Å
610	E	87.1	Confident	94.6	Very high	204 Å²	204	55.4 Å²	55.4	95%	0.953	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	130.7	168.2	-64.6	176.3	173.9	0	0	109.9
611	G	86.9	Confident	94.6	Very high	76 Å²	76	52.6 Å²	52.6	78%	0.784	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-7.3	-171.5	0	0	0	0	0	116.5	K609	K609-G611 PolarHBondContact O-N 3.07Å
612	D	90.3	Very high	94.6	Very high	58 Å²	58	49 Å²	49	31%	0.31	25%	0.251	S	S	.	.			trans	-90.4	96	165.7	-179.6	21.6	0	0	0	109.6	P608 K609 R614	P608-D612 HydrophobicContact CB-CB 3.86Å; K609-D612 WeakPolarHBondContact O-CB 2.99Å; K609-D612 PolarHBondContact O-N 3.07Å; D612-R614 PolarHBondContact O-N 3.36Å; D612-R614 WeakPolarHBondContact OD1-CB 3.43Å; D612-R614 PolarHBondContact OD1-N 3.12Å; D612-R614 IonicContact OD1-NE 3.82Å; D612-R614 IonicContact OD2-CZ 3.14Å; D612-R614 IonicContact OD2-NE 2.76Å; D612-R614 PolarHBondContact OD2-NE 3.08Å; D612-R614 IonicContact OD2-NH2 3.13Å; D612-R614 PolarHBondContact OD2-NH2 2.78Å
613	D	87.3	Confident	94.4	Very high	115 Å²	115	49.6 Å²	49.6	62%	0.615	25%	0.254	S	S	*	.			trans	-82.4	10.8	178.4	-72.8	-46	0	0	0	114.3	K486	K486-D613 IonicContact NZ-OD1 3.37Å; K486-D613 PolarHBondContact NZ-OD1 3.16Å
614	R	92.6	Very high	94.2	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.196	27%	0.266	C	S	.	.	S	Bend	trans	-57.8	130.9	170.9	177.3	175.5	54	81.7	13.7	110.8	Y488 F566 D567 D612 F616	Y488-R614 WeakPolarHBondContact CE1-O 3.45Å; F566-R614 PolarHBondContact O-NH1 3.14Å; D567-R614 WeakPolarHBondContact OD1-CD 3.48Å; D567-R614 IonicContact OD1-CZ 3.64Å; D567-R614 IonicContact OD1-NH1 2.9Å; D567-R614 PolarHBondContact OD1-NH1 3.47Å; D612-R614 PolarHBondContact O-N 3.36Å; D612-R614 WeakPolarHBondContact OD1-CB 3.43Å; D612-R614 PolarHBondContact OD1-N 3.12Å; D612-R614 IonicContact OD1-NE 3.82Å; D612-R614 IonicContact OD2-CZ 3.14Å; D612-R614 IonicContact OD2-NE 2.76Å; D612-R614 PolarHBondContact OD2-NE 3.08Å; D612-R614 IonicContact OD2-NH2 3.13Å; D612-R614 PolarHBondContact OD2-NH2 2.78Å; R614-F616 PolarHBondContact O-N 3.38Å
615	P	95.1	Very high	94.1	Very high	25 Å²	25	48.5 Å²	48.5	16%	0.162	26%	0.258	C	S	.	.			trans	-53.9	124.8	175.6	-27.3	35	0	0	0	112.2	Y488 V491 F617 Y773	Y488-P615 HydrophobicContact CD1-CB 4.46Å; Y488-P615 HydrophobicContact CG-CB 4.31Å; V491-P615 HydrophobicContact CG2-CG 3.92Å; P615-F617 HydrophobicContact CB-CE2 3.73Å; P615-F617 HydrophobicContact CB-CZ 4.12Å; P615-Y773 HydrophobicContact CB-CD1 4.06Å; P615-Y773 HydrophobicContact CG-CD1 4.14Å
616	F	96.8	Very high	94	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.013	25%	0.25	C	S	.	.			trans	-133.2	121.4	-180	176.6	-99.5	0	0	0	110.8	Y488 F566 V569 L603 A606 R607 P608 R614 N662	Y488-F616 VanDerWaalsContact CE2-O 3.24Å; Y488-F616 WeakPolarHBondContact CE2-O 3.32Å; F566-F616 WeakPolarHBondContact O-CD2 3.47Å; V569-F616 HydrophobicContact CB-CZ 4.43Å; V569-F616 HydrophobicContact CG2-CE2 3.72Å; V569-F616 HydrophobicContact CG2-CZ 3.64Å; L603-F616 HydrophobicContact CD1-CE1 3.85Å; L603-F616 HydrophobicContact CD1-CZ 3.9Å; A606-F616 HydrophobicContact CB-CE2 4.37Å; A606-F616 HydrophobicContact CB-CZ 4.35Å; A606-F616 VanDerWaalsContact O-CE2 3.26Å; A606-F616 WeakPolarHBondContact O-CE2 3.35Å; R607-F616 HydrophobicContact CB-CE1 4.22Å; R607-F616 HydrophobicContact CB-CZ 4.46Å; R607-F616 HydrophobicContact CG-CD1 4.5Å; R607-F616 HydrophobicContact CG-CE1 4.25Å; P608-F616 HydrophobicContact CG-CB 3.42Å; P608-F616 VanDerWaalsContact CG-CB 3.42Å; P608-F616 HydrophobicContact CG-CD1 4.36Å; P608-F616 HydrophobicContact CG-CD2 4.21Å; P608-F616 HydrophobicContact CG-CG 3.77Å; R614-F616 PolarHBondContact O-N 3.38Å; F616-N662 PolarHBondContact O-ND2 2.74Å
617	F	97.9	Very high	93.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.3	-174	-61.7	-70.6	0	0	0	111.9	Y488 D567 L568 V569 P615 N662 L663 P664 L770 Y773 F774	Y488-F617 HydrophobicContact CD2-CE1 4.3Å; D567-F617 PolarHBondContact O-N 3.39Å; L568-F617 CarbonylContact C-O 3.59Å; L568-F617 VanDerWaalsContact CA-O 3.26Å; L568-F617 WeakPolarHBondContact CA-O 3.4Å; L568-F617 HydrophobicContact CD1-CB 3.85Å; V569-F617 PolarHBondContact N-O 2.95Å; P615-F617 HydrophobicContact CB-CE2 3.73Å; P615-F617 HydrophobicContact CB-CZ 4.12Å; F617-N662 VanDerWaalsContact CA-OD1 3.27Å; F617-N662 WeakPolarHBondContact CA-OD1 3.41Å; F617-L663 HydrophobicContact CB-CD2 3.83Å; F617-L663 HydrophobicContact CD1-CD2 4.31Å; F617-L663 HydrophobicContact CG-CD2 4.2Å; F617-P664 HydrophobicContact CE1-CG 3.88Å; F617-P664 HydrophobicContact CZ-CG 4.3Å; F617-L770 HydrophobicContact CB-CD2 4.33Å; F617-L770 HydrophobicContact CD1-CD2 4.45Å; F617-L770 HydrophobicContact CD2-CD2 3.58Å; F617-L770 HydrophobicContact CE2-CD2 3.96Å; F617-L770 HydrophobicContact CG-CD2 3.85Å; F617-Y773 HydrophobicContact CE2-CD1 4Å; F617-Y773 HydrophobicContact CE2-CD2 4.42Å; F617-Y773 AromaticContact CE2-CG 3.96Å; F617-Y773 HydrophobicContact CE2-CG 3.96Å; F617-Y773 AromaticContact CZ-CD1 3.74Å; F617-Y773 HydrophobicContact CZ-CD1 3.74Å; F617-Y773 HydrophobicContact CZ-CD2 4.21Å; F617-Y773 AromaticContact CZ-CE1 3.79Å; F617-Y773 HydrophobicContact CZ-CE1 3.79Å; F617-Y773 HydrophobicContact CZ-CE2 4.29Å; F617-Y773 AromaticContact CZ-CG 3.96Å; F617-Y773 HydrophobicContact CZ-CG 3.96Å; F617-F774 AromaticContact CD2-CE2 3.83Å; F617-F774 HydrophobicContact CD2-CE2 3.83Å; F617-F774 HydrophobicContact CD2-CZ 4.1Å; F617-F774 AromaticContact CE2-CE2 3.81Å; F617-F774 HydrophobicContact CE2-CE2 3.81Å; F617-F774 HydrophobicContact CE2-CZ 4.14Å
618	W	98.1	Very high	93.7	Very high	17 Å²	17	48 Å²	48	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.8	172.6	64.9	-85.1	0	0	0	112.8	V569 F599 L603 F620 L638 W660 G661 N662	V569-W618 HydrophobicContact CB-CB 4.25Å; V569-W618 CarbonylContact O-C 3.58Å; V569-W618 WeakPolarHBondContact O-CA 3.3Å; V569-W618 VanDerWaalsContact O-CB 3.31Å; V569-W618 WeakPolarHBondContact O-CB 3.47Å; F599-W618 HydrophobicContact CE1-CE3 4.19Å; F599-W618 HydrophobicContact CZ-CE3 4.18Å; L603-W618 HydrophobicContact CD1-CB 3.49Å; L603-W618 VanDerWaalsContact CD1-CB 3.49Å; L603-W618 HydrophobicContact CD1-CD2 4.23Å; L603-W618 HydrophobicContact CD1-CG 3.6Å; L603-W618 HydrophobicContact CD2-CB 4.49Å; L603-W618 HydrophobicContact CD2-CD2 3.72Å; L603-W618 HydrophobicContact CD2-CE3 3.85Å; L603-W618 HydrophobicContact CD2-CG 4.01Å; L603-W618 HydrophobicContact CD2-CZ3 4.43Å; L603-W618 HydrophobicContact CG-CG 4.47Å; W618-F620 HydrophobicContact CZ3-CB 4.34Å; W618-L638 HydrophobicContact CH2-CB 3.88Å; W618-L638 HydrophobicContact CH2-CD1 4.23Å; W618-L638 HydrophobicContact CH2-CD2 4.19Å; W618-L638 HydrophobicContact CH2-CG 4.33Å; W618-L638 HydrophobicContact CZ3-CB 4.4Å; W618-L638 HydrophobicContact CZ3-CD1 3.97Å; W618-L638 HydrophobicContact CZ3-CD2 4Å; W618-L638 HydrophobicContact CZ3-CG 4.36Å; W618-W660 HydrophobicContact CH2-CB 4.02Å; W618-W660 VanDerWaalsContact CZ3-C 3.5Å; W618-W660 HydrophobicContact CZ3-CB 3.87Å; W618-W660 WeakPolarHBondContact CZ3-O 3.33Å; W618-G661 WeakPolarHBondContact O-CA 3.49Å; W618-N662 PolarHBondContact N-OD1 3.2Å; W618-N662 PolarHBondContact O-N 3.44Å
619	L	98.6	Very high	93.7	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	123.7	179.4	-174.8	68.7	0	0	0	111.2	V569 I570 G571 F659 W660 L663 M666 I763 L766 F767	V569-L619 PolarHBondContact O-N 3.16Å; I570-L619 CarbonylContact C-O 3.55Å; I570-L619 VanDerWaalsContact CA-O 3.3Å; I570-L619 WeakPolarHBondContact CA-O 3.47Å; I570-L619 HydrophobicContact CG2-CB 4.04Å; G571-L619 PolarHBondContact N-O 3.12Å; L619-F659 HydrophobicContact CD1-CB 4.05Å; L619-F659 HydrophobicContact CD1-CD1 4Å; L619-F659 HydrophobicContact CD1-CG 4.49Å; L619-F659 HydrophobicContact CD2-CD1 4.31Å; L619-F659 HydrophobicContact CG-CD1 4.33Å; L619-W660 CarbonylContact C-O 3.57Å; L619-W660 WeakPolarHBondContact CA-O 3.39Å; L619-L663 HydrophobicContact CB-CD1 4.11Å; L619-L663 HydrophobicContact CD1-CD1 4.02Å; L619-L663 HydrophobicContact CD2-CD1 4.01Å; L619-L663 HydrophobicContact CG-CD1 4.27Å; L619-M666 HydrophobicContact CD1-CE 3.61Å; L619-M666 HydrophobicContact CD1-SD 4.23Å; L619-I763 HydrophobicContact CD2-CD1 4.38Å; L619-L766 HydrophobicContact CD1-CD1 4.48Å; L619-L766 HydrophobicContact CD2-CD1 4.08Å; L619-F767 HydrophobicContact CD2-CE1 3.85Å
620	F	98.5	Very high	93.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.7	171.3	-176.8	-107.3	0	0	0	110.8	G571 S573 F596 F599 W618 N622 I634 L638 F659 W660	G571-F620 WeakPolarHBondContact O-CA 3.48Å; G571-F620 WeakPolarHBondContact O-CD2 3.29Å; S573-F620 WeakPolarHBondContact OG-CZ 3.37Å; F596-F620 HydrophobicContact CB-CZ 4.46Å; F596-F620 HydrophobicContact CD2-CD1 4.38Å; F596-F620 AromaticContact CD2-CE1 3.79Å; F596-F620 HydrophobicContact CD2-CE1 3.79Å; F596-F620 HydrophobicContact CD2-CE2 4.08Å; F596-F620 AromaticContact CD2-CZ 3.63Å; F596-F620 HydrophobicContact CD2-CZ 3.63Å; F596-F620 HydrophobicContact CE2-CD1 4.42Å; F596-F620 HydrophobicContact CE2-CE1 4.2Å; F596-F620 HydrophobicContact CE2-CZ 4.44Å; F596-F620 HydrophobicContact CG-CZ 4.46Å; F599-F620 HydrophobicContact CB-CD2 4.36Å; F599-F620 HydrophobicContact CB-CE2 4.39Å; F599-F620 HydrophobicContact CD1-CB 4.24Å; F599-F620 AromaticContact CD1-CD2 3.71Å; F599-F620 HydrophobicContact CD1-CD2 3.71Å; F599-F620 HydrophobicContact CD1-CE2 4.43Å; F599-F620 HydrophobicContact CD1-CG 4.17Å; F599-F620 HydrophobicContact CD2-CD2 4.07Å; F599-F620 HydrophobicContact CE1-CB 3.69Å; F599-F620 AromaticContact CE1-CD2 4Å; F599-F620 HydrophobicContact CE1-CD2 4Å; F599-F620 HydrophobicContact CE1-CG 4.12Å; F599-F620 HydrophobicContact CE2-CD2 4.34Å; F599-F620 AromaticContact CG-CD2 3.76Å; F599-F620 HydrophobicContact CG-CD2 3.76Å; F599-F620 HydrophobicContact CG-CE2 4.27Å; F599-F620 HydrophobicContact CZ-CB 3.88Å; F599-F620 HydrophobicContact CZ-CD2 4.31Å; W618-F620 HydrophobicContact CZ3-CB 4.34Å; F620-N622 HydrophobicContact CE1-CB 4.23Å; F620-I634 HydrophobicContact CD1-CG2 4.29Å; F620-I634 HydrophobicContact CE1-CG2 4.13Å; F620-L638 HydrophobicContact CB-CD1 4.1Å; F620-L638 HydrophobicContact CD1-CD1 3.93Å; F620-L638 HydrophobicContact CG-CD1 4.26Å; F620-F659 WeakPolarHBondContact O-CA 3.46Å; F620-W660 HydrophobicContact CB-CB 4.39Å; F620-W660 HydrophobicContact CD1-CD2 4.35Å; F620-W660 AromaticContact CD1-CE3 3.72Å; F620-W660 HydrophobicContact CD1-CE3 3.72Å; F620-W660 HydrophobicContact CD1-CZ3 4.17Å; F620-W660 HydrophobicContact CE1-CE3 4.32Å; F620-W660 HydrophobicContact CE1-CZ3 4.32Å; F620-W660 PolarHBondContact N-O 3.26Å; F620-W660 PolarHBondContact O-N 3.41Å
621	E	98.1	Very high	94.4	Very high	13 Å²	13	35.4 Å²	35.4	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.4	176.3	-178.2	-102.5	-173.9	0	0	111.8	G571 G572 R655 R657 Y658 F659 W758	G571-E621 PolarHBondContact O-N 3.21Å; G572-E621 WeakPolarHBondContact CA-O 3.42Å; E621-R655 IonicContact OE1-NH2 3.94Å; E621-R657 HydrophobicContact CG-CB 4.27Å; E621-R657 HydrophobicContact CG-CG 4.36Å; E621-R657 WeakPolarHBondContact OE1-CD 3.16Å; E621-R657 VanDerWaalsContact OE1-CG 3.28Å; E621-R657 WeakPolarHBondContact OE1-CG 3.31Å; E621-R657 IonicContact OE1-NE 3.04Å; E621-R657 PolarHBondContact OE1-NE 2.86Å; E621-Y658 WeakPolarHBondContact CA-O 3.41Å; E621-F659 HydrophobicContact CB-CD1 3.97Å; E621-F659 HydrophobicContact CB-CE1 3.8Å; E621-F659 HydrophobicContact CG-CD1 4.1Å; E621-F659 HydrophobicContact CG-CE1 3.57Å; E621-F659 HydrophobicContact CG-CZ 3.96Å; E621-W758 HydrophobicContact CB-CZ2 4.09Å; E621-W758 PolarHBondContact OE2-NE1 3.17Å
622	N	97.1	Very high	94.8	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	179	160.2	-131.1	-84.5	0	0	0	114.6	S573 C575 L578 F620 M626 R657 Y658 W660	S573-N622 PolarHBondContact O-ND2 2.98Å; C575-N622 WeakPolarHBondContact CB-OD1 3.35Å; L578-N622 WeakPolarHBondContact CD1-OD1 3.48Å; F620-N622 HydrophobicContact CE1-CB 4.23Å; N622-M626 HydrophobicContact CB-CE 3.63Å; N622-R657 VanDerWaalsContact O-CD 3.26Å; N622-R657 WeakPolarHBondContact O-CD 3.46Å; N622-Y658 PolarHBondContact N-O 3.39Å; N622-Y658 PolarHBondContact O-N 2.91Å; N622-W660 HydrophobicContact CB-CZ3 4.15Å
623	V	94.5	Very high	95.1	Very high	12 Å²	12	35.7 Å²	35.7	7%	0.073	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.6	-176.5	-63.5	0	0	0	0	113	C575 A625 M626	C575-V623 HydrophobicContact CB-CB 4.38Å; C575-V623 HydrophobicContact CB-CG1 3.64Å; C575-V623 HydrophobicContact CB-CG2 3.88Å; V623-A625 VanDerWaalsContact C-N 3.29Å; V623-A625 PolarHBondContact O-N 3Å; V623-M626 HydrophobicContact CG2-CB 4.33Å; V623-M626 WeakPolarHBondContact O-CE 3.41Å; V623-M626 WeakPolarHBondContact O-CG 3.43Å
624	V	93.9	Very high	95.5	Very high	44 Å²	44	30.2 Å²	30.2	27%	0.267	16%	0.164	S	C	.	.	S	Bend	trans	-65.4	-35.1	172.9	171.3	0	0	0	0	111.9	M626 M644 A656 R657 Y658	V624-M626 PolarHBondContact O-N 3.26Å; V624-M644 HydrophobicContact CG2-CG 3.73Å; V624-M644 HydrophobicContact CG2-SD 4.26Å; V624-A656 HydrophobicContact CB-CB 4.22Å; V624-A656 HydrophobicContact CG2-CB 3.91Å; V624-R657 VanDerWaalsContact CG2-C 3.49Å; V624-Y658 HydrophobicContact CB-CD2 4.37Å; V624-Y658 HydrophobicContact CB-CE2 4.19Å; V624-Y658 HydrophobicContact CG1-CE2 4.13Å; V624-Y658 HydrophobicContact CG2-CD1 4.04Å; V624-Y658 HydrophobicContact CG2-CD2 4.09Å; V624-Y658 HydrophobicContact CG2-CE1 4.16Å; V624-Y658 HydrophobicContact CG2-CE2 4.2Å; V624-Y658 HydrophobicContact CG2-CG 3.99Å
625	A	91.9	Very high	95.7	Very high	39 Å²	39	27.9 Å²	27.9	32%	0.322	16%	0.156	S	C	.	.	S	Bend	trans	-78.9	56.5	177.4	0	0	0	0	0	112	S579 I580 V623	S579-A625 CarbonylContact C-O 3.29Å; S579-A625 WeakPolarHBondContact CA-O 3.48Å; S579-A625 PolarHBondContact OG-O 3.2Å; I580-A625 HydrophobicContact CD1-CB 4.46Å; I580-A625 HydrophobicContact CG1-CB 4.16Å; I580-A625 PolarHBondContact N-O 2.63Å; V623-A625 VanDerWaalsContact C-N 3.29Å; V623-A625 PolarHBondContact O-N 3Å
626	M	93.5	Very high	95.7	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.059	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-109.3	169.1	171	63.1	165.3	61.2	0	0	111.2	L578 N622 V623 V624 K631 I634 Y658 W660	L578-M626 HydrophobicContact CB-CB 4.42Å; L578-M626 WeakPolarHBondContact O-CA 3.3Å; N622-M626 HydrophobicContact CB-CE 3.63Å; V623-M626 HydrophobicContact CG2-CB 4.33Å; V623-M626 WeakPolarHBondContact O-CE 3.41Å; V623-M626 WeakPolarHBondContact O-CG 3.43Å; V624-M626 PolarHBondContact O-N 3.26Å; M626-K631 HydrophobicContact CG-CB 4.16Å; M626-K631 WeakPolarHBondContact SD-CA 3.32Å; M626-K631 HydrophobicContact SD-CB 3.62Å; M626-K631 HydrophobicContact SD-CG 4.21Å; M626-I634 HydrophobicContact CE-CD1 4.02Å; M626-I634 HydrophobicContact SD-CD1 4.19Å; M626-Y658 HydrophobicContact CG-CD2 4.5Å; M626-Y658 HydrophobicContact CG-CE2 4.44Å; M626-Y658 HydrophobicContact SD-CD2 4.47Å; M626-W660 HydrophobicContact CE-CH2 3.78Å; M626-W660 HydrophobicContact CE-CZ3 4.37Å; M626-W660 HydrophobicContact SD-CH2 4.08Å
627	G	92	Very high	95.6	Very high	11 Å²	11	36.8 Å²	36.8	11%	0.113	19%	0.188	C	C	.	.			trans	-64.3	144.8	174.4	0	0	0	0	0	112.1	S629 D630 K631	G627-S629 VanDerWaalsContact C-N 3.26Å; G627-S629 PolarHBondContact O-N 3.14Å; G627-D630 VanDerWaalsContact CA-OD2 3.3Å; G627-D630 WeakPolarHBondContact CA-OD2 3.25Å; G627-D630 PolarHBondContact N-OD2 3.3Å; G627-D630 PolarHBondContact O-N 2.9Å; G627-D630 VanDerWaalsContact O-N 3.14Å; G627-K631 PolarHBondContact O-N 2.97Å
628	V	93.4	Very high	95.5	Very high	124 Å²	124	37 Å²	37	75%	0.752	19%	0.189	S	C	*	.	H	α-helix	trans	-63.2	-35.9	178.4	-178.1	0	0	0	0	111	R632	V628-R632 VanDerWaalsContact O-CB 3.32Å; V628-R632 WeakPolarHBondContact O-CB 3.04Å; V628-R632 PolarHBondContact O-N 3.29Å
629	S	93.9	Very high	95.3	Very high	64 Å²	64	41.2 Å²	41.2	45%	0.448	21%	0.21	S	C	.	.	H	α-helix	trans	-61.7	-48.1	170.2	46.8	0	0	0	0	112.3	G627 K631 R632 D633	G627-S629 VanDerWaalsContact C-N 3.26Å; G627-S629 PolarHBondContact O-N 3.14Å; S629-K631 PolarHBondContact O-N 2.9Å; S629-R632 PolarHBondContact O-N 2.57Å; S629-D633 WeakPolarHBondContact O-CB 3.44Å; S629-D633 VanDerWaalsContact O-CG 3.31Å; S629-D633 PolarHBondContact O-N 3.28Å
630	D	95.4	Very high	94.9	Very high	13 Å²	13	41.8 Å²	41.8	7%	0.07	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-44.2	179.3	-54.8	-75.7	0	0	0	110.9	L578 G587 V588 G627 D633 I634	L578-D630 HydrophobicContact CD2-CB 4.26Å; G587-D630 WeakPolarHBondContact CA-OD1 3.45Å; V588-D630 HydrophobicContact CB-CB 4.38Å; V588-D630 PolarHBondContact N-OD1 3.15Å; G627-D630 VanDerWaalsContact CA-OD2 3.3Å; G627-D630 WeakPolarHBondContact CA-OD2 3.25Å; G627-D630 PolarHBondContact N-OD2 3.3Å; G627-D630 PolarHBondContact O-N 2.9Å; G627-D630 VanDerWaalsContact O-N 3.14Å; D630-D633 PolarHBondContact O-N 3.03Å; D630-I634 WeakPolarHBondContact O-CB 3.19Å; D630-I634 WeakPolarHBondContact O-CD1 3.43Å; D630-I634 WeakPolarHBondContact O-CG1 3.29Å; D630-I634 PolarHBondContact O-N 2.79Å
631	K	96.2	Very high	94.6	Very high	62 Å²	62	44.2 Å²	44.2	27%	0.27	23%	0.227	S	C	.	.	H	α-helix	trans	-57.4	-52	175.5	-173.9	-164	175	-176.4	0	111.5	M626 G627 S629 I634 S635 P642 Y658 W660	M626-K631 HydrophobicContact CG-CB 4.16Å; M626-K631 WeakPolarHBondContact SD-CA 3.32Å; M626-K631 HydrophobicContact SD-CB 3.62Å; M626-K631 HydrophobicContact SD-CG 4.21Å; G627-K631 PolarHBondContact O-N 2.97Å; S629-K631 PolarHBondContact O-N 2.9Å; K631-I634 PolarHBondContact O-N 2.81Å; K631-S635 PolarHBondContact O-N 3.47Å; K631-S635 PolarHBondContact O-OG 3.35Å; K631-P642 HydrophobicContact CG-CG 4.46Å; K631-Y658 HydrophobicContact CD-CD2 4.5Å; K631-Y658 HydrophobicContact CD-CE2 3.74Å; K631-Y658 HydrophobicContact CG-CD2 4.43Å; K631-Y658 HydrophobicContact CG-CE2 4.08Å; K631-Y658 PolarHBondContact NZ-OH 3.34Å; K631-W660 HydrophobicContact CG-CZ2 4.1Å
632	R	95.3	Very high	94.4	Very high	119 Å²	119	44.5 Å²	44.5	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-41.9	-177.9	-179.5	-158.8	65.7	-163.6	-3.5	111.4	V628 S629 S635 R636	V628-R632 VanDerWaalsContact O-CB 3.32Å; V628-R632 WeakPolarHBondContact O-CB 3.04Å; V628-R632 PolarHBondContact O-N 3.29Å; S629-R632 PolarHBondContact O-N 2.57Å; R632-S635 PolarHBondContact O-N 2.78Å; R632-R636 VanDerWaalsContact O-CG 3.28Å; R632-R636 WeakPolarHBondContact O-CG 3.15Å; R632-R636 PolarHBondContact O-N 2.94Å
633	D	96.4	Very high	94.2	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-70.7	-39	179.8	-70.5	9.8	0	0	0	110.7	Y589 S629 D630 R636 F637	Y589-D633 PolarHBondContact OH-OD2 3.05Å; S629-D633 WeakPolarHBondContact O-CB 3.44Å; S629-D633 VanDerWaalsContact O-CG 3.31Å; S629-D633 PolarHBondContact O-N 3.28Å; D630-D633 PolarHBondContact O-N 3.03Å; D633-R636 WeakPolarHBondContact O-CB 3.43Å; D633-R636 PolarHBondContact O-N 3.05Å; D633-R636 IonicContact OD1-NH1 3.62Å; D633-R636 PolarHBondContact OD1-NH1 3.48Å; D633-F637 VanDerWaalsContact O-CD2 3.31Å; D633-F637 WeakPolarHBondContact O-CD2 3.5Å; D633-F637 PolarHBondContact O-N 3.35Å
634	I	97.1	Very high	94.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-47.1	169.7	-70.5	166.3	0	0	0	111	L578 V588 F596 F620 M626 D630 K631 R636 F637 L638 W660	L578-I634 HydrophobicContact CD1-CD1 4.46Å; V588-I634 HydrophobicContact CG2-CD1 4.36Å; V588-I634 HydrophobicContact CG2-CG1 4.12Å; F596-I634 HydrophobicContact CD1-CG1 3.99Å; F596-I634 HydrophobicContact CD2-CG1 4.28Å; F596-I634 HydrophobicContact CD2-CG2 4.38Å; F596-I634 HydrophobicContact CE1-CB 4.4Å; F596-I634 HydrophobicContact CE1-CG1 3.9Å; F596-I634 HydrophobicContact CE2-CB 4.41Å; F596-I634 HydrophobicContact CE2-CG1 4.22Å; F596-I634 HydrophobicContact CE2-CG2 3.79Å; F596-I634 HydrophobicContact CG-CG1 4.18Å; F596-I634 HydrophobicContact CZ-CB 4.13Å; F596-I634 HydrophobicContact CZ-CG1 4.02Å; F596-I634 HydrophobicContact CZ-CG2 3.92Å; F620-I634 HydrophobicContact CD1-CG2 4.29Å; F620-I634 HydrophobicContact CE1-CG2 4.13Å; M626-I634 HydrophobicContact CE-CD1 4.02Å; M626-I634 HydrophobicContact SD-CD1 4.19Å; D630-I634 WeakPolarHBondContact O-CB 3.19Å; D630-I634 WeakPolarHBondContact O-CD1 3.43Å; D630-I634 WeakPolarHBondContact O-CG1 3.29Å; D630-I634 PolarHBondContact O-N 2.79Å; K631-I634 PolarHBondContact O-N 2.81Å; I634-R636 VanDerWaalsContact C-N 3.29Å; I634-R636 PolarHBondContact O-N 3.32Å; I634-F637 PolarHBondContact O-N 2.99Å; I634-L638 HydrophobicContact CG2-CD1 3.78Å; I634-L638 HydrophobicContact CG2-CG 4.43Å; I634-L638 WeakPolarHBondContact O-CB 3.21Å; I634-L638 WeakPolarHBondContact O-CG 3.48Å; I634-L638 PolarHBondContact O-N 3.24Å; I634-W660 HydrophobicContact CB-CZ2 4.05Å; I634-W660 HydrophobicContact CG2-CD2 3.9Å; I634-W660 VanDerWaalsContact CG2-CE2 3.47Å; I634-W660 HydrophobicContact CG2-CE3 4.29Å; I634-W660 HydrophobicContact CG2-CH2 3.96Å; I634-W660 HydrophobicContact CG2-CZ2 3.52Å; I634-W660 HydrophobicContact CG2-CZ3 4.32Å
635	S	95.6	Very high	94.4	Very high	3 Å²	3	48 Å²	48	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-40.6	175	-68.9	0	0	0	0	112.7	K631 R632 L638 E639 C640 N641 P642 W660	K631-S635 PolarHBondContact O-N 3.47Å; K631-S635 PolarHBondContact O-OG 3.35Å; R632-S635 PolarHBondContact O-N 2.78Å; S635-L638 CarbonylContact O-C 3.54Å; S635-L638 PolarHBondContact O-N 3.35Å; S635-E639 PolarHBondContact O-N 3.47Å; S635-C640 WeakPolarHBondContact CA-O 3.49Å; S635-C640 WeakPolarHBondContact CB-O 3.35Å; S635-C640 PolarHBondContact O-N 3.43Å; S635-C640 VanDerWaalsContact O-N 3.16Å; S635-C640 PolarHBondContact OG-O 2.89Å; S635-N641 PolarHBondContact OG-OD1 2.98Å; S635-P642 WeakPolarHBondContact OG-CD 3.33Å; S635-W660 PolarHBondContact OG-NE1 3.02Å; S635-W660 VanDerWaalsContact OG-NE1 3.15Å
636	R	94.9	Very high	94.6	Very high	142 Å²	142	47 Å²	47	54%	0.536	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-44.6	177.9	-74.4	163.2	166.8	-173	-11.3	112.6	F482 R632 D633 I634 L638 E639	F482-R636 HydrophobicContact CE1-CG 4.49Å; F482-R636 HydrophobicContact CZ-CG 4.27Å; R632-R636 VanDerWaalsContact O-CG 3.28Å; R632-R636 WeakPolarHBondContact O-CG 3.15Å; R632-R636 PolarHBondContact O-N 2.94Å; D633-R636 WeakPolarHBondContact O-CB 3.43Å; D633-R636 PolarHBondContact O-N 3.05Å; D633-R636 IonicContact OD1-NH1 3.62Å; D633-R636 PolarHBondContact OD1-NH1 3.48Å; I634-R636 VanDerWaalsContact C-N 3.29Å; I634-R636 PolarHBondContact O-N 3.32Å; R636-L638 VanDerWaalsContact C-N 3.3Å; R636-L638 PolarHBondContact O-N 3.21Å; R636-E639 PolarHBondContact O-N 3.43Å
637	F	96.2	Very high	94.7	Very high	73 Å²	73	46.5 Å²	46.5	32%	0.32	23%	0.232	S	C	.	.	H	α-helix	trans	-69.1	-27.4	176.5	-85.3	-77	0	0	0	112.9	F596 F597 Y600 D633 I634	F596-F637 HydrophobicContact CE1-CB 3.76Å; F596-F637 HydrophobicContact CE1-CD2 4.17Å; F596-F637 HydrophobicContact CE1-CG 4.11Å; F596-F637 HydrophobicContact CZ-CB 3.65Å; F596-F637 HydrophobicContact CZ-CG 4.49Å; F597-F637 HydrophobicContact CE1-CD1 4.41Å; F597-F637 AromaticContact CE1-CD2 3.83Å; F597-F637 HydrophobicContact CE1-CD2 3.83Å; F597-F637 HydrophobicContact CE1-CE1 4.21Å; F597-F637 AromaticContact CE1-CE2 3.63Å; F597-F637 HydrophobicContact CE1-CE2 3.63Å; F597-F637 HydrophobicContact CE1-CG 4.24Å; F597-F637 AromaticContact CE1-CZ 3.82Å; F597-F637 HydrophobicContact CE1-CZ 3.82Å; F597-F637 HydrophobicContact CZ-CE2 4.3Å; Y600-F637 HydrophobicContact CD1-CD1 4.2Å; Y600-F637 HydrophobicContact CD2-CB 4.45Å; Y600-F637 WeakPolarHBondContact CD2-O 3.41Å; Y600-F637 AromaticContact CE1-CD1 3.99Å; Y600-F637 HydrophobicContact CE1-CD1 3.99Å; Y600-F637 HydrophobicContact CE1-CE1 4.48Å; Y600-F637 WeakPolarHBondContact CE2-O 3.32Å; D633-F637 VanDerWaalsContact O-CD2 3.31Å; D633-F637 WeakPolarHBondContact O-CD2 3.5Å; D633-F637 PolarHBondContact O-N 3.35Å; I634-F637 PolarHBondContact O-N 2.99Å
638	L	94.8	Very high	94.7	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.031	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	0.3	178.4	-67	-179.9	0	0	0	114.2	F596 F599 L603 W618 F620 I634 S635 R636 C640 W660	F596-L638 HydrophobicContact CE2-CD1 3.9Å; F596-L638 HydrophobicContact CE2-CD2 4.05Å; F596-L638 HydrophobicContact CE2-CG 3.85Å; F596-L638 HydrophobicContact CZ-CD1 4.4Å; F596-L638 HydrophobicContact CZ-CD2 4.33Å; F596-L638 HydrophobicContact CZ-CG 3.96Å; F599-L638 HydrophobicContact CD1-CD2 4.4Å; F599-L638 HydrophobicContact CE1-CD2 4.14Å; L603-L638 HydrophobicContact CD2-CD2 4.16Å; W618-L638 HydrophobicContact CH2-CB 3.88Å; W618-L638 HydrophobicContact CH2-CD1 4.23Å; W618-L638 HydrophobicContact CH2-CD2 4.19Å; W618-L638 HydrophobicContact CH2-CG 4.33Å; W618-L638 HydrophobicContact CZ3-CB 4.4Å; W618-L638 HydrophobicContact CZ3-CD1 3.97Å; W618-L638 HydrophobicContact CZ3-CD2 4Å; W618-L638 HydrophobicContact CZ3-CG 4.36Å; F620-L638 HydrophobicContact CB-CD1 4.1Å; F620-L638 HydrophobicContact CD1-CD1 3.93Å; F620-L638 HydrophobicContact CG-CD1 4.26Å; I634-L638 HydrophobicContact CG2-CD1 3.78Å; I634-L638 HydrophobicContact CG2-CG 4.43Å; I634-L638 WeakPolarHBondContact O-CB 3.21Å; I634-L638 WeakPolarHBondContact O-CG 3.48Å; I634-L638 PolarHBondContact O-N 3.24Å; S635-L638 CarbonylContact O-C 3.54Å; S635-L638 PolarHBondContact O-N 3.35Å; R636-L638 VanDerWaalsContact C-N 3.3Å; R636-L638 PolarHBondContact O-N 3.21Å; L638-C640 PolarHBondContact O-N 3.19Å; L638-C640 VanDerWaalsContact O-N 3.12Å; L638-W660 HydrophobicContact CD1-CB 3.5Å; L638-W660 HydrophobicContact CD1-CD2 4.16Å; L638-W660 HydrophobicContact CD1-CG 3.58Å
639	E	93	Very high	94.7	Very high	106 Å²	106	47.9 Å²	47.9	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	25.6	179.6	-59.3	161.9	158.8	0	0	113.1	F482 R607 S635 R636	F482-E639 WeakPolarHBondContact CB-O 3.3Å; R607-E639 IonicContact NH1-OE2 3.83Å; R607-E639 IonicContact NH2-OE2 3.53Å; S635-E639 PolarHBondContact O-N 3.47Å; R636-E639 PolarHBondContact O-N 3.43Å
640	C	90.8	Very high	94.6	Very high	12 Å²	12	45 Å²	45	8%	0.081	21%	0.206	C	C	.	.	S	Bend	trans	-155	158.1	-178.9	95.4	0	0	0	0	113.2	S635 L638 W660	S635-C640 WeakPolarHBondContact CA-O 3.49Å; S635-C640 WeakPolarHBondContact CB-O 3.35Å; S635-C640 PolarHBondContact O-N 3.43Å; S635-C640 VanDerWaalsContact O-N 3.16Å; S635-C640 PolarHBondContact OG-O 2.89Å; L638-C640 PolarHBondContact O-N 3.19Å; L638-C640 VanDerWaalsContact O-N 3.12Å; C640-W660 VanDerWaalsContact O-CD1 3.26Å
641	N	91.8	Very high	94.6	Very high	50 Å²	50	44.5 Å²	44.5	27%	0.267	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-87.4	151.2	170.1	-86.1	-31.2	0	0	0	112.4	D481 S635	D481-N641 PolarHBondContact OD2-ND2 3.18Å; S635-N641 PolarHBondContact OG-OD1 2.98Å
642	P	94.4	Very high	94.5	Very high	19 Å²	19	41.6 Å²	41.6	12%	0.123	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-82.7	140.4	178.9	29.4	-30.7	0	0	0	112.8	K631 S635 Y658 F659 W660	K631-P642 HydrophobicContact CG-CG 4.46Å; S635-P642 WeakPolarHBondContact OG-CD 3.33Å; P642-Y658 HydrophobicContact CB-CD1 3.8Å; P642-Y658 HydrophobicContact CB-CG 3.96Å; P642-Y658 HydrophobicContact CG-CD1 3.77Å; P642-Y658 HydrophobicContact CG-CE1 4.21Å; P642-Y658 HydrophobicContact CG-CG 4.03Å; P642-F659 CarbonylContact C-O 3.4Å; P642-F659 WeakPolarHBondContact CA-O 3.19Å; P642-W660 HydrophobicContact CB-CD2 3.66Å; P642-W660 HydrophobicContact CB-CE3 4.08Å; P642-W660 HydrophobicContact CB-CG 4.07Å; P642-W660 HydrophobicContact CB-CH2 4.27Å; P642-W660 HydrophobicContact CB-CZ2 3.87Å; P642-W660 HydrophobicContact CB-CZ3 4.36Å; P642-W660 HydrophobicContact CG-CD2 4.35Å; P642-W660 HydrophobicContact CG-CH2 4.38Å; P642-W660 HydrophobicContact CG-CZ2 3.72Å
643	V	93.4	Very high	94.5	Very high	23 Å²	23	36.2 Å²	36.2	14%	0.139	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.1	160.4	-170.9	0	0	0	0	108.9	I645 Y658 F659 M666 N667	V643-I645 HydrophobicContact CG1-CD1 4.24Å; V643-I645 HydrophobicContact CG1-CG1 3.9Å; V643-Y658 CarbonylContact O-C 3.51Å; V643-Y658 WeakPolarHBondContact O-CA 3.18Å; V643-F659 PolarHBondContact N-O 3.17Å; V643-F659 PolarHBondContact O-N 3.28Å; V643-M666 HydrophobicContact CG2-CB 3.92Å; V643-M666 HydrophobicContact CG2-CE 4.34Å; V643-N667 WeakPolarHBondContact CG2-OD1 3.39Å
644	M	95.6	Very high	94.4	Very high	97 Å²	97	38.9 Å²	38.9	48%	0.478	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121	173.9	-165.6	-68.7	-57.8	0	0	109.1	V624 A656 R657 Y658	V624-M644 HydrophobicContact CG2-CG 3.73Å; V624-M644 HydrophobicContact CG2-SD 4.26Å; M644-A656 HydrophobicContact SD-CB 4Å; M644-R657 WeakPolarHBondContact CA-O 3.47Å; M644-Y658 HydrophobicContact CB-CD1 4Å; M644-Y658 HydrophobicContact CB-CE1 3.93Å; M644-Y658 HydrophobicContact CG-CD1 4.11Å; M644-Y658 HydrophobicContact CG-CE1 3.91Å
645	I	95.9	Very high	94.3	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132	178.9	-53.8	179.7	0	0	0	109.3	V643 A656 R657 F659 L670 V762 L766	V643-I645 HydrophobicContact CG1-CD1 4.24Å; V643-I645 HydrophobicContact CG1-CG1 3.9Å; I645-A656 CarbonylContact O-C 3.57Å; I645-A656 WeakPolarHBondContact O-CA 3.4Å; I645-R657 PolarHBondContact N-O 3.09Å; I645-R657 PolarHBondContact O-N 3.2Å; I645-F659 HydrophobicContact CB-CD2 4.12Å; I645-F659 HydrophobicContact CB-CE2 3.97Å; I645-F659 HydrophobicContact CD1-CD2 4.06Å; I645-F659 HydrophobicContact CD1-CE2 4.39Å; I645-F659 HydrophobicContact CG1-CD2 4.12Å; I645-F659 HydrophobicContact CG1-CE2 4.43Å; I645-L670 HydrophobicContact CG2-CD2 3.59Å; I645-V762 HydrophobicContact CB-CG1 4.44Å; I645-V762 HydrophobicContact CG2-CG1 3.91Å; I645-V762 HydrophobicContact CG2-CG2 4.39Å; I645-L766 HydrophobicContact CD1-CD1 4.45Å; I645-L766 HydrophobicContact CD1-CD2 3.95Å; I645-L766 HydrophobicContact CD1-CG 4.38Å
646	D	96.2	Very high	94.3	Very high	17 Å²	17	40.7 Å²	40.7	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.3	175.4	-172.5	-9.3	0	0	0	110.5	K648 E649 H654 R655 A656	D646-K648 HydrophobicContact CB-CD 4.29Å; D646-K648 HydrophobicContact CB-CG 4.19Å; D646-K648 PolarHBondContact O-N 2.88Å; D646-K648 PolarHBondContact OD1-N 2.88Å; D646-K648 VanDerWaalsContact OD2-CD 3.29Å; D646-K648 WeakPolarHBondContact OD2-CD 3.47Å; D646-K648 IonicContact OD2-NZ 2.59Å; D646-E649 PolarHBondContact O-N 3.24Å; D646-H654 IonicContact OD2-ND1 2.68Å; D646-R655 VanDerWaalsContact OD1-C 3.3Å; D646-R655 PolarHBondContact OD1-N 3.41Å; D646-A656 HydrophobicContact CB-CB 4.19Å; D646-A656 PolarHBondContact OD1-N 2.64Å
647	A	95.3	Very high	94.4	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.1	-13.3	-178.4	0	0	0	0	0	114.4	E649 V650 S651 A653 R655 V762	A647-E649 PolarHBondContact O-N 2.78Å; A647-V650 CarbonylContact O-C 3.58Å; A647-V650 PolarHBondContact O-N 3.16Å; A647-S651 WeakPolarHBondContact O-CB 3.46Å; A647-S651 PolarHBondContact O-N 3.4Å; A647-S651 PolarHBondContact O-OG 2.96Å; A647-A653 CarbonylContact C-O 3.54Å; A647-R655 HydrophobicContact CB-CB 3.92Å; A647-R655 PolarHBondContact N-O 2.8Å; A647-V762 HydrophobicContact CB-CG2 3.88Å
648	K	93.8	Very high	94.5	Very high	69 Å²	69	33.1 Å²	33.1	30%	0.3	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-51.9	-27.3	176.3	76.4	-176.1	172.6	-161.3	0	113.6	D646 V650 S651 A653 K694	D646-K648 HydrophobicContact CB-CD 4.29Å; D646-K648 HydrophobicContact CB-CG 4.19Å; D646-K648 PolarHBondContact O-N 2.88Å; D646-K648 PolarHBondContact OD1-N 2.88Å; D646-K648 VanDerWaalsContact OD2-CD 3.29Å; D646-K648 WeakPolarHBondContact OD2-CD 3.47Å; D646-K648 IonicContact OD2-NZ 2.59Å; K648-V650 VanDerWaalsContact C-N 3.32Å; K648-S651 CarbonylContact C-O 3.53Å; K648-S651 VanDerWaalsContact O-O 3.09Å; K648-A653 WeakPolarHBondContact CA-O 3.46Å; K648-A653 PolarHBondContact N-O 2.73Å; K648-K694 HydrophobicContact CB-CD 4Å; K648-K694 VanDerWaalsContact O-CE 3.3Å; K648-K694 WeakPolarHBondContact O-CE 3.4Å; K648-K694 PolarHBondContact O-NZ 3.05Å
649	E	92.1	Very high	94.6	Very high	94 Å²	94	33.1 Å²	33.1	44%	0.439	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-81.3	-13.7	-175.3	-68.9	167.6	-157	0	0	112.4	D646 A647 L670	D646-E649 PolarHBondContact O-N 3.24Å; A647-E649 PolarHBondContact O-N 2.78Å; E649-L670 HydrophobicContact CB-CD2 3.88Å; E649-L670 HydrophobicContact CB-CG 4.36Å
650	V	92.8	Very high	94.8	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.1	10.2	179	-63.4	0	0	0	0	113.3	A647 K648 L670 A672 P761 V762	A647-V650 CarbonylContact O-C 3.58Å; A647-V650 PolarHBondContact O-N 3.16Å; K648-V650 VanDerWaalsContact C-N 3.32Å; V650-L670 HydrophobicContact CG1-CD1 3.62Å; V650-L670 HydrophobicContact CG1-CD2 3.92Å; V650-L670 HydrophobicContact CG1-CG 3.61Å; V650-L670 HydrophobicContact CG2-CD2 4.13Å; V650-A672 HydrophobicContact CG1-CB 4.33Å; V650-P761 HydrophobicContact CB-CB 4Å; V650-P761 HydrophobicContact CB-CG 4.23Å; V650-P761 HydrophobicContact CG2-CB 3.82Å; V650-P761 HydrophobicContact CG2-CG 3.77Å; V650-V762 HydrophobicContact CG2-CG2 3.79Å
651	S	94.8	Very high	95	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.028	15%	0.145	C	C	.	.	S	Bend	trans	-159.7	168.7	-179.7	74	0	0	0	0	112.7	A647 K648 A653 R677 K694 V732	A647-S651 WeakPolarHBondContact O-CB 3.46Å; A647-S651 PolarHBondContact O-N 3.4Å; A647-S651 PolarHBondContact O-OG 2.96Å; K648-S651 CarbonylContact C-O 3.53Å; K648-S651 VanDerWaalsContact O-O 3.09Å; S651-A653 PolarHBondContact O-N 3.2Å; S651-A653 PolarHBondContact OG-N 2.88Å; S651-A653 PolarHBondContact OG-O 2.74Å; S651-R677 CarbonylContact C-O 3.6Å; S651-R677 VanDerWaalsContact C-O 3.29Å; S651-R677 WeakPolarHBondContact CA-O 3.44Å; S651-K694 PolarHBondContact O-NZ 2.85Å; S651-V732 WeakPolarHBondContact CB-O 3.48Å
652	A	94.9	Very high	95.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-77.9	16.4	175	0	0	0	0	0	114.8	R677 L678 L680 K694 V695 V732	A652-R677 PolarHBondContact N-O 2.91Å; A652-L678 VanDerWaalsContact CA-O 3.26Å; A652-L678 WeakPolarHBondContact CA-O 3.25Å; A652-L680 HydrophobicContact CB-CB 4.25Å; A652-L680 HydrophobicContact CB-CD1 4.31Å; A652-K694 CarbonylContact O-C 3.58Å; A652-K694 VanDerWaalsContact O-CA 3.25Å; A652-K694 WeakPolarHBondContact O-CA 3.43Å; A652-V695 WeakPolarHBondContact O-CG2 3.46Å; A652-V695 PolarHBondContact O-N 2.88Å; A652-V732 HydrophobicContact CB-CG2 4.32Å
653	A	94.3	Very high	95.1	Very high	6 Å²	6	26.3 Å²	26.3	5%	0.05	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-132.7	131.3	179.9	0	0	0	0	0	113.6	A647 K648 S651 R655 V695 V732	A647-A653 CarbonylContact C-O 3.54Å; K648-A653 WeakPolarHBondContact CA-O 3.46Å; K648-A653 PolarHBondContact N-O 2.73Å; S651-A653 PolarHBondContact O-N 3.2Å; S651-A653 PolarHBondContact OG-N 2.88Å; S651-A653 PolarHBondContact OG-O 2.74Å; A653-R655 PolarHBondContact O-N 3.14Å; A653-V695 WeakPolarHBondContact CA-O 3.47Å; A653-V695 HydrophobicContact CB-CG2 3.84Å; A653-V732 HydrophobicContact CB-CG1 3.56Å
654	H	94.4	Very high	94.9	Very high	77 Å²	77	26 Å²	26	36%	0.356	13%	0.133	S	C	.	.			trans	-64.3	117.7	160.9	-73.4	-77.3	0	0	0	110	D646 V695 T697	D646-H654 IonicContact OD2-ND1 2.68Å; H654-V695 PolarHBondContact N-O 3.04Å; H654-T697 WeakPolarHBondContact O-CA 3.26Å; H654-T697 WeakPolarHBondContact O-CB 3.34Å; H654-T697 PolarHBondContact O-N 2.68Å; H654-T697 PolarHBondContact O-OG1 3.36Å
655	R	94.8	Very high	94.6	Very high	12 Å²	12	22 Å²	22	5%	0.045	12%	0.116	C	C	.	.			trans	-153.5	71.5	176.2	-169.2	-169.2	169.3	133	-1.1	110.2	E621 D646 A647 A653 R657 T697 F733 R756 A757	E621-R655 IonicContact OE1-NH2 3.94Å; D646-R655 VanDerWaalsContact OD1-C 3.3Å; D646-R655 PolarHBondContact OD1-N 3.41Å; A647-R655 HydrophobicContact CB-CB 3.92Å; A647-R655 PolarHBondContact N-O 2.8Å; A653-R655 PolarHBondContact O-N 3.14Å; R655-R657 HydrophobicContact CG-CG 4.32Å; R655-R657 PolarHBondContact O-N 3.06Å; R655-T697 HydrophobicContact CG-CG2 4.23Å; R655-F733 VanDerWaalsContact NH1-CE1 3.26Å; R655-R756 PolarHBondContact NH2-O 2.81Å; R655-A757 PolarHBondContact NH1-O 2.94Å; R655-A757 PolarHBondContact NH2-O 3.3Å
656	A	95.7	Very high	94.3	Very high	29 Å²	29	21.8 Å²	21.8	24%	0.24	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	130.1	168.1	0	0	0	0	0	111.3	V624 M644 I645 D646	V624-A656 HydrophobicContact CB-CB 4.22Å; V624-A656 HydrophobicContact CG2-CB 3.91Å; M644-A656 HydrophobicContact SD-CB 4Å; I645-A656 CarbonylContact O-C 3.57Å; I645-A656 WeakPolarHBondContact O-CA 3.4Å; D646-A656 HydrophobicContact CB-CB 4.19Å; D646-A656 PolarHBondContact OD1-N 2.64Å
657	R	97.3	Very high	93.9	Very high	23 Å²	23	25.4 Å²	25.4	9%	0.087	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.6	177.2	-69.9	-58.9	-172.5	-89.8	2.2	111.4	E621 N622 V624 M644 I645 R655 F659	E621-R657 HydrophobicContact CG-CB 4.27Å; E621-R657 HydrophobicContact CG-CG 4.36Å; E621-R657 WeakPolarHBondContact OE1-CD 3.16Å; E621-R657 VanDerWaalsContact OE1-CG 3.28Å; E621-R657 WeakPolarHBondContact OE1-CG 3.31Å; E621-R657 IonicContact OE1-NE 3.04Å; E621-R657 PolarHBondContact OE1-NE 2.86Å; N622-R657 VanDerWaalsContact O-CD 3.26Å; N622-R657 WeakPolarHBondContact O-CD 3.46Å; V624-R657 VanDerWaalsContact CG2-C 3.49Å; M644-R657 WeakPolarHBondContact CA-O 3.47Å; I645-R657 PolarHBondContact N-O 3.09Å; I645-R657 PolarHBondContact O-N 3.2Å; R655-R657 HydrophobicContact CG-CG 4.32Å; R655-R657 PolarHBondContact O-N 3.06Å; R657-F659 HydrophobicContact CB-CD2 4.27Å; R657-F659 HydrophobicContact CB-CE2 3.56Å; R657-F659 HydrophobicContact CB-CZ 3.9Å
658	Y	97.9	Very high	93.6	Very high	34 Å²	34	26.1 Å²	26.1	13%	0.133	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.7	169.3	-76.5	-45.8	0	0	0	109.3	E621 N622 V624 M626 K631 P642 V643 M644 W660	E621-Y658 WeakPolarHBondContact CA-O 3.41Å; N622-Y658 PolarHBondContact N-O 3.39Å; N622-Y658 PolarHBondContact O-N 2.91Å; V624-Y658 HydrophobicContact CB-CD2 4.37Å; V624-Y658 HydrophobicContact CB-CE2 4.19Å; V624-Y658 HydrophobicContact CG1-CE2 4.13Å; V624-Y658 HydrophobicContact CG2-CD1 4.04Å; V624-Y658 HydrophobicContact CG2-CD2 4.09Å; V624-Y658 HydrophobicContact CG2-CE1 4.16Å; V624-Y658 HydrophobicContact CG2-CE2 4.2Å; V624-Y658 HydrophobicContact CG2-CG 3.99Å; M626-Y658 HydrophobicContact CG-CD2 4.5Å; M626-Y658 HydrophobicContact CG-CE2 4.44Å; M626-Y658 HydrophobicContact SD-CD2 4.47Å; K631-Y658 HydrophobicContact CD-CD2 4.5Å; K631-Y658 HydrophobicContact CD-CE2 3.74Å; K631-Y658 HydrophobicContact CG-CD2 4.43Å; K631-Y658 HydrophobicContact CG-CE2 4.08Å; K631-Y658 PolarHBondContact NZ-OH 3.34Å; P642-Y658 HydrophobicContact CB-CD1 3.8Å; P642-Y658 HydrophobicContact CB-CG 3.96Å; P642-Y658 HydrophobicContact CG-CD1 3.77Å; P642-Y658 HydrophobicContact CG-CE1 4.21Å; P642-Y658 HydrophobicContact CG-CG 4.03Å; V643-Y658 CarbonylContact O-C 3.51Å; V643-Y658 WeakPolarHBondContact O-CA 3.18Å; M644-Y658 HydrophobicContact CB-CD1 4Å; M644-Y658 HydrophobicContact CB-CE1 3.93Å; M644-Y658 HydrophobicContact CG-CD1 4.11Å; M644-Y658 HydrophobicContact CG-CE1 3.91Å; Y658-W660 VanDerWaalsContact CB-CZ3 3.41Å; Y658-W660 HydrophobicContact CD2-CH2 4.08Å; Y658-W660 HydrophobicContact CG-CH2 4.16Å; Y658-W660 HydrophobicContact CG-CZ3 4.43Å
659	F	97.7	Very high	93.4	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.2	177.9	-66.1	-84.6	0	0	0	109.6	L619 F620 E621 P642 V643 I645 R657 M666 V762 I763 L766	L619-F659 HydrophobicContact CD1-CB 4.05Å; L619-F659 HydrophobicContact CD1-CD1 4Å; L619-F659 HydrophobicContact CD1-CG 4.49Å; L619-F659 HydrophobicContact CD2-CD1 4.31Å; L619-F659 HydrophobicContact CG-CD1 4.33Å; F620-F659 WeakPolarHBondContact O-CA 3.46Å; E621-F659 HydrophobicContact CB-CD1 3.97Å; E621-F659 HydrophobicContact CB-CE1 3.8Å; E621-F659 HydrophobicContact CG-CD1 4.1Å; E621-F659 HydrophobicContact CG-CE1 3.57Å; E621-F659 HydrophobicContact CG-CZ 3.96Å; P642-F659 CarbonylContact C-O 3.4Å; P642-F659 WeakPolarHBondContact CA-O 3.19Å; V643-F659 PolarHBondContact N-O 3.17Å; V643-F659 PolarHBondContact O-N 3.28Å; I645-F659 HydrophobicContact CB-CD2 4.12Å; I645-F659 HydrophobicContact CB-CE2 3.97Å; I645-F659 HydrophobicContact CD1-CD2 4.06Å; I645-F659 HydrophobicContact CD1-CE2 4.39Å; I645-F659 HydrophobicContact CG1-CD2 4.12Å; I645-F659 HydrophobicContact CG1-CE2 4.43Å; R657-F659 HydrophobicContact CB-CD2 4.27Å; R657-F659 HydrophobicContact CB-CE2 3.56Å; R657-F659 HydrophobicContact CB-CZ 3.9Å; F659-M666 HydrophobicContact CB-CE 3.77Å; F659-V762 HydrophobicContact CE2-CG1 3.87Å; F659-V762 HydrophobicContact CZ-CG1 3.73Å; F659-I763 HydrophobicContact CE1-CD1 3.9Å; F659-I763 HydrophobicContact CZ-CD1 4.46Å; F659-L766 HydrophobicContact CD1-CD1 3.68Å; F659-L766 HydrophobicContact CD2-CD1 4.35Å; F659-L766 HydrophobicContact CE1-CD1 3.74Å; F659-L766 HydrophobicContact CE2-CD1 4.41Å; F659-L766 HydrophobicContact CG-CD1 3.99Å; F659-L766 HydrophobicContact CZ-CD1 4.12Å
660	W	96.6	Very high	93.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.9	169	-65.3	-104.5	0	0	0	108.5	W618 L619 F620 N622 M626 K631 I634 S635 L638 C640 P642 Y658	W618-W660 HydrophobicContact CH2-CB 4.02Å; W618-W660 VanDerWaalsContact CZ3-C 3.5Å; W618-W660 HydrophobicContact CZ3-CB 3.87Å; W618-W660 WeakPolarHBondContact CZ3-O 3.33Å; L619-W660 CarbonylContact C-O 3.57Å; L619-W660 WeakPolarHBondContact CA-O 3.39Å; F620-W660 HydrophobicContact CB-CB 4.39Å; F620-W660 HydrophobicContact CD1-CD2 4.35Å; F620-W660 AromaticContact CD1-CE3 3.72Å; F620-W660 HydrophobicContact CD1-CE3 3.72Å; F620-W660 HydrophobicContact CD1-CZ3 4.17Å; F620-W660 HydrophobicContact CE1-CE3 4.32Å; F620-W660 HydrophobicContact CE1-CZ3 4.32Å; F620-W660 PolarHBondContact N-O 3.26Å; F620-W660 PolarHBondContact O-N 3.41Å; N622-W660 HydrophobicContact CB-CZ3 4.15Å; M626-W660 HydrophobicContact CE-CH2 3.78Å; M626-W660 HydrophobicContact CE-CZ3 4.37Å; M626-W660 HydrophobicContact SD-CH2 4.08Å; K631-W660 HydrophobicContact CG-CZ2 4.1Å; I634-W660 HydrophobicContact CB-CZ2 4.05Å; I634-W660 HydrophobicContact CG2-CD2 3.9Å; I634-W660 VanDerWaalsContact CG2-CE2 3.47Å; I634-W660 HydrophobicContact CG2-CE3 4.29Å; I634-W660 HydrophobicContact CG2-CH2 3.96Å; I634-W660 HydrophobicContact CG2-CZ2 3.52Å; I634-W660 HydrophobicContact CG2-CZ3 4.32Å; S635-W660 PolarHBondContact OG-NE1 3.02Å; S635-W660 VanDerWaalsContact OG-NE1 3.15Å; L638-W660 HydrophobicContact CD1-CB 3.5Å; L638-W660 HydrophobicContact CD1-CD2 4.16Å; L638-W660 HydrophobicContact CD1-CG 3.58Å; C640-W660 VanDerWaalsContact O-CD1 3.26Å; P642-W660 HydrophobicContact CB-CD2 3.66Å; P642-W660 HydrophobicContact CB-CE3 4.08Å; P642-W660 HydrophobicContact CB-CG 4.07Å; P642-W660 HydrophobicContact CB-CH2 4.27Å; P642-W660 HydrophobicContact CB-CZ2 3.87Å; P642-W660 HydrophobicContact CB-CZ3 4.36Å; P642-W660 HydrophobicContact CG-CD2 4.35Å; P642-W660 HydrophobicContact CG-CH2 4.38Å; P642-W660 HydrophobicContact CG-CZ2 3.72Å; Y658-W660 VanDerWaalsContact CB-CZ3 3.41Å; Y658-W660 HydrophobicContact CD2-CH2 4.08Å; Y658-W660 HydrophobicContact CG-CH2 4.16Å; Y658-W660 HydrophobicContact CG-CZ3 4.43Å
661	G	95	Very high	92.7	Very high	14 Å²	14	23.7 Å²	23.7	14%	0.144	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.4	179.2	-178.7	0	0	0	0	0	113.7	W618	W618-G661 WeakPolarHBondContact O-CA 3.49Å
662	N	93.6	Very high	92.2	Very high	22 Å²	22	25.2 Å²	25.2	12%	0.118	15%	0.148	C	C	.	.			trans	-122.5	24.3	176.4	73.7	-30.6	0	0	0	113	P485 F616 F617 W618	P485-N662 HydrophobicContact CB-CB 4.24Å; F616-N662 PolarHBondContact O-ND2 2.74Å; F617-N662 VanDerWaalsContact CA-OD1 3.27Å; F617-N662 WeakPolarHBondContact CA-OD1 3.41Å; W618-N662 PolarHBondContact N-OD1 3.2Å; W618-N662 PolarHBondContact O-N 3.44Å
663	L	94.1	Very high	91.6	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.037	15%	0.153	C	C	.	.			trans	-64.3	139.1	175.4	-63.2	168.7	0	0	0	109.8	L568 F617 L619 G665 M666 L766 F767 L770	L568-L663 HydrophobicContact CD1-CD2 4.33Å; F617-L663 HydrophobicContact CB-CD2 3.83Å; F617-L663 HydrophobicContact CD1-CD2 4.31Å; F617-L663 HydrophobicContact CG-CD2 4.2Å; L619-L663 HydrophobicContact CB-CD1 4.11Å; L619-L663 HydrophobicContact CD1-CD1 4.02Å; L619-L663 HydrophobicContact CD2-CD1 4.01Å; L619-L663 HydrophobicContact CG-CD1 4.27Å; L663-G665 PolarHBondContact O-N 2.83Å; L663-G665 VanDerWaalsContact O-N 3.16Å; L663-M666 HydrophobicContact CB-CG 3.68Å; L663-M666 HydrophobicContact CB-SD 3.81Å; L663-M666 HydrophobicContact CG-SD 4.34Å; L663-M666 WeakPolarHBondContact O-CG 3.4Å; L663-M666 PolarHBondContact O-N 2.74Å; L663-L766 HydrophobicContact CD1-CB 4.13Å; L663-F767 HydrophobicContact CD1-CD1 4Å; L663-F767 HydrophobicContact CD1-CE1 4.2Å; L663-L770 HydrophobicContact CD2-CD1 4.16Å; L663-L770 HydrophobicContact CD2-CD2 3.73Å; L663-L770 HydrophobicContact CD2-CG 4.14Å
664	P	90.9	Very high	90.7	Very high	17 Å²	17	31.7 Å²	31.7	11%	0.11	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	120.2	-175.3	-24.6	34.5	0	0	0	112.3	F617 P769 Y773	F617-P664 HydrophobicContact CE1-CG 3.88Å; F617-P664 HydrophobicContact CZ-CG 4.3Å; P664-P769 HydrophobicContact CB-CB 4.05Å; P664-P769 HydrophobicContact CG-CB 4.35Å; P664-P769 VanDerWaalsContact O-CG 3.28Å; P664-P769 WeakPolarHBondContact O-CG 3.37Å; P664-Y773 HydrophobicContact CG-CE2 3.74Å
665	G	88.1	Confident	90.1	Very high	12 Å²	12	30.5 Å²	30.5	12%	0.124	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	33.1	174.8	0	0	0	0	0	115.6	L663 N667 R668	L663-G665 PolarHBondContact O-N 2.83Å; L663-G665 VanDerWaalsContact O-N 3.16Å; G665-N667 PolarHBondContact O-N 2.93Å; G665-N667 VanDerWaalsContact O-N 3.09Å; G665-R668 VanDerWaalsContact O-CB 3.24Å; G665-R668 WeakPolarHBondContact O-CB 3.45Å; G665-R668 WeakPolarHBondContact O-CD 3.42Å; G665-R668 WeakPolarHBondContact O-CG 3.48Å; G665-R668 PolarHBondContact O-N 2.87Å
666	M	90.2	Very high	89.7	Confident	10 Å²	10	31.1 Å²	31.1	5%	0.049	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-28.2	172.2	-73.2	174.6	59.6	0	0	113.9	L619 V643 F659 L663 R668 L766	L619-M666 HydrophobicContact CD1-CE 3.61Å; L619-M666 HydrophobicContact CD1-SD 4.23Å; V643-M666 HydrophobicContact CG2-CB 3.92Å; V643-M666 HydrophobicContact CG2-CE 4.34Å; F659-M666 HydrophobicContact CB-CE 3.77Å; L663-M666 HydrophobicContact CB-CG 3.68Å; L663-M666 HydrophobicContact CB-SD 3.81Å; L663-M666 HydrophobicContact CG-SD 4.34Å; L663-M666 WeakPolarHBondContact O-CG 3.4Å; L663-M666 PolarHBondContact O-N 2.74Å; M666-R668 VanDerWaalsContact C-N 3.31Å; M666-L766 HydrophobicContact CB-CD2 4.22Å; M666-L766 HydrophobicContact CE-CD2 4.35Å; M666-L766 HydrophobicContact CG-CD2 3.83Å
667	N	87.4	Confident	89.3	Confident	92 Å²	92	35.5 Å²	35.5	49%	0.492	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.8	178.8	-59.5	62.5	0	0	0	113.8	V643 G665	V643-N667 WeakPolarHBondContact CG2-OD1 3.39Å; G665-N667 PolarHBondContact O-N 2.93Å; G665-N667 VanDerWaalsContact O-N 3.09Å
668	R	89.4	Confident	89.1	Confident	18 Å²	18	36.6 Å²	36.6	7%	0.068	21%	0.211	C	C	.	.	S	Bend	trans	-67.7	153.2	177.8	78.7	-166.2	-178.1	101.5	-11.2	110.7	E388 Y391 F474 G665 M666 L670 H765	E388-R668 PolarHBondContact O-NH1 3.29Å; Y391-R668 PolarHBondContact O-NH2 3.23Å; Y391-R668 VanDerWaalsContact O-NH2 3.1Å; F474-R668 HydrophobicContact CD1-CB 4.2Å; F474-R668 HydrophobicContact CE1-CB 4.11Å; G665-R668 VanDerWaalsContact O-CB 3.24Å; G665-R668 WeakPolarHBondContact O-CB 3.45Å; G665-R668 WeakPolarHBondContact O-CD 3.42Å; G665-R668 WeakPolarHBondContact O-CG 3.48Å; G665-R668 PolarHBondContact O-N 2.87Å; M666-R668 VanDerWaalsContact C-N 3.31Å; R668-L670 PolarHBondContact O-N 2.96Å; R668-H765 VanDerWaalsContact CG-CE1 3.47Å; R668-H765 WeakPolarHBondContact CG-CE1 3.31Å; R668-H765 VanDerWaalsContact CZ-CE1 3.45Å; R668-H765 PolarHBondContact NE-CE1 3.41Å; R668-H765 VanDerWaalsContact NE-CE1 3.33Å; R668-H765 PolarHBondContact NH2-ND1 3.13Å; R668-H765 PolarHBondContact NH2-O 2.9Å
669	P	89.3	Confident	88.9	Confident	55 Å²	55	36.7 Å²	36.7	36%	0.357	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-61.5	132.8	179.5	-19.7	32.1	0	0	0	111.3	E388 H765	E388-P669 HydrophobicContact CG-CB 3.85Å; E388-P669 HydrophobicContact CG-CG 4Å; P669-H765 PolarHBondContact O-CE1 2.81Å
670	L	88.5	Confident	88.8	Confident	27 Å²	27	36.4 Å²	36.4	14%	0.141	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-67.1	146.2	171.2	-175.5	57.7	0	0	0	109.6	I645 E649 V650 R668 H765	I645-L670 HydrophobicContact CG2-CD2 3.59Å; E649-L670 HydrophobicContact CB-CD2 3.88Å; E649-L670 HydrophobicContact CB-CG 4.36Å; V650-L670 HydrophobicContact CG1-CD1 3.62Å; V650-L670 HydrophobicContact CG1-CD2 3.92Å; V650-L670 HydrophobicContact CG1-CG 3.61Å; V650-L670 HydrophobicContact CG2-CD2 4.13Å; R668-L670 PolarHBondContact O-N 2.96Å; L670-H765 HydrophobicContact CD1-CB 3.78Å; L670-H765 VanDerWaalsContact CD1-CG 3.5Å; L670-H765 WeakPolarHBondContact CD1-ND1 3.48Å
671	S	82.4	Confident	88.8	Confident	33 Å²	33	40.2 Å²	40.2	23%	0.231	23%	0.23	C	C	.	.			trans	-150.3	129.2	-175.7	-69.7	0	0	0	0	109.9
672	A	84.6	Confident	88.8	Confident	35 Å²	35	43.3 Å²	43.3	29%	0.289	24%	0.244	S	C	.	.			trans	-75.6	135.4	177.1	0	0	0	0	0	111.4	V650 D676 L678	V650-A672 HydrophobicContact CG1-CB 4.33Å; A672-D676 HydrophobicContact CB-CB 4.4Å; A672-L678 HydrophobicContact CB-CD1 4.05Å; A672-L678 HydrophobicContact CB-CD2 3.83Å; A672-L678 HydrophobicContact CB-CG 4.35Å
673	M	80.4	Confident	88.9	Confident	24 Å²	24	42.3 Å²	42.3	12%	0.118	24%	0.238	C	C	.	.			trans	-89.6	163.9	172.2	-56.4	-155.9	69.3	0	0	110.6	Q392 Y393 S400 S675 D676	Q392-M673 HydrophobicContact CB-CE 3.95Å; Q392-M673 HydrophobicContact CB-SD 4.49Å; Y393-M673 VanDerWaalsContact O-CE 3.23Å; Y393-M673 WeakPolarHBondContact O-CE 3.45Å; S400-M673 WeakPolarHBondContact OG-CE 3.19Å; M673-S675 PolarHBondContact O-N 2.95Å; M673-S675 VanDerWaalsContact O-N 3.12Å; M673-D676 PolarHBondContact N-OD2 3.48Å; M673-D676 WeakPolarHBondContact O-CB 3.46Å; M673-D676 PolarHBondContact O-N 3.24Å
674	C	76.2	Confident	89	Confident	118 Å²	118	42.7 Å²	42.7	80%	0.797	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.6	-178.3	62.6	0	0	0	0	114.2	D676	C674-D676 VanDerWaalsContact C-N 3.33Å
675	S	81	Confident	89.2	Confident	52 Å²	52	44.5 Å²	44.5	36%	0.364	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.1	168.8	50.1	0	0	0	0	113.8	M673 R764	M673-S675 PolarHBondContact O-N 2.95Å; M673-S675 VanDerWaalsContact O-N 3.12Å; S675-R764 PolarHBondContact OG-NH1 3.43Å; S675-R764 VanDerWaalsContact OG-NH1 3.14Å
676	D	86.8	Confident	89.5	Confident	25 Å²	25	52.7 Å²	52.7	13%	0.134	28%	0.282	C	S	.	.			trans	-85.5	132.9	-156.4	-60.9	-5.4	0	0	0	112	A672 M673 C674 L678 R764	A672-D676 HydrophobicContact CB-CB 4.4Å; M673-D676 PolarHBondContact N-OD2 3.48Å; M673-D676 WeakPolarHBondContact O-CB 3.46Å; M673-D676 PolarHBondContact O-N 3.24Å; C674-D676 VanDerWaalsContact C-N 3.33Å; D676-L678 PolarHBondContact O-N 3.11Å; D676-R764 IonicContact OD1-CZ 2.84Å; D676-R764 IonicContact OD1-NH1 3.71Å; D676-R764 IonicContact OD1-NH2 2.63Å; D676-R764 PolarHBondContact OD1-NH2 3.41Å; D676-R764 IonicContact OD2-NH2 3.75Å; D676-R764 PolarHBondContact OD2-NH2 2.9Å
677	R	88.9	Confident	89.6	Confident	122 Å²	122	55.2 Å²	55.2	46%	0.46	31%	0.31	S	S	.	.			trans	-91.7	83.8	-173.9	-59.8	-68.8	174.3	145.7	-8.6	109.7	S651 A652 D682 C683	S651-R677 CarbonylContact C-O 3.6Å; S651-R677 VanDerWaalsContact C-O 3.29Å; S651-R677 WeakPolarHBondContact CA-O 3.44Å; A652-R677 PolarHBondContact N-O 2.91Å; R677-D682 WeakPolarHBondContact CD-O 3.48Å; R677-D682 PolarHBondContact NH1-O 3.19Å; R677-C683 VanDerWaalsContact CB-SG 3.56Å
678	L	91.6	Very high	90	Very high	46 Å²	46	51 Å²	51	24%	0.241	29%	0.288	C	S	.	.			trans	-71.2	-36.7	-177.9	-59.4	-175.4	0	0	0	112.8	A652 A672 D676 K694	A652-L678 VanDerWaalsContact CA-O 3.26Å; A652-L678 WeakPolarHBondContact CA-O 3.25Å; A672-L678 HydrophobicContact CB-CD1 4.05Å; A672-L678 HydrophobicContact CB-CD2 3.83Å; A672-L678 HydrophobicContact CB-CG 4.35Å; D676-L678 PolarHBondContact O-N 3.11Å; L678-K694 PolarHBondContact O-NZ 2.63Å
679	D	93.9	Very high	90.4	Very high	35 Å²	35	54 Å²	54	19%	0.187	31%	0.308	C	S	.	.	S	Bend	trans	-99	137.9	-176.8	-57.7	-20.3	0	0	0	110	Q681 D682	D679-Q681 PolarHBondContact O-N 3.45Å; D679-D682 WeakPolarHBondContact O-CB 3.5Å; D679-D682 PolarHBondContact O-N 3.08Å
680	L	95.5	Very high	90.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59.3	-35.2	179.3	-174.1	64.5	0	0	0	111.5	A652 D682 C683 L684 A690 F692 E693 V695 P714 L724 V732	A652-L680 HydrophobicContact CB-CB 4.25Å; A652-L680 HydrophobicContact CB-CD1 4.31Å; L680-D682 PolarHBondContact O-N 3.41Å; L680-C683 WeakPolarHBondContact O-CA 3.26Å; L680-C683 VanDerWaalsContact O-CB 3.3Å; L680-C683 WeakPolarHBondContact O-CB 3.48Å; L680-C683 PolarHBondContact O-N 3.1Å; L680-L684 HydrophobicContact CG-CD2 4.45Å; L680-L684 WeakPolarHBondContact O-CG 3.46Å; L680-L684 PolarHBondContact O-N 3.28Å; L680-A690 HydrophobicContact CB-CB 4.04Å; L680-A690 HydrophobicContact CD2-CB 4.04Å; L680-A690 HydrophobicContact CG-CB 4.11Å; L680-F692 VanDerWaalsContact CB-O 3.32Å; L680-F692 WeakPolarHBondContact CB-O 3.28Å; L680-F692 WeakPolarHBondContact CD2-O 3.25Å; L680-E693 WeakPolarHBondContact CB-O 3.35Å; L680-E693 PolarHBondContact N-O 3.29Å; L680-V695 HydrophobicContact CD1-CG1 3.91Å; L680-V695 HydrophobicContact CD2-CG1 3.65Å; L680-V695 HydrophobicContact CG-CG1 4.41Å; L680-P714 HydrophobicContact CD2-CB 4.15Å; L680-L724 HydrophobicContact CD1-CD1 4.33Å; L680-L724 HydrophobicContact CD1-CD2 4.07Å; L680-V732 HydrophobicContact CD1-CG2 3.68Å
681	Q	96.6	Very high	90.9	Very high	81 Å²	81	53.6 Å²	53.6	38%	0.379	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-59.7	-33.4	177.5	-173.3	58.5	74.7	0	0	112.7	D679 C683 L684 R688 T689 A690	D679-Q681 PolarHBondContact O-N 3.45Å; Q681-C683 PolarHBondContact O-N 3.44Å; Q681-L684 PolarHBondContact O-N 3.05Å; Q681-R688 PolarHBondContact NE2-O 2.89Å; Q681-T689 VanDerWaalsContact OE1-CA 3.3Å; Q681-A690 HydrophobicContact CB-CB 4.03Å
682	D	94.6	Very high	91.4	Very high	79 Å²	79	55.3 Å²	55.3	42%	0.422	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-75.2	-6.8	176.1	-78.2	-22.2	0	0	0	112.7	R677 D679 L680	R677-D682 WeakPolarHBondContact CD-O 3.48Å; R677-D682 PolarHBondContact NH1-O 3.19Å; D679-D682 WeakPolarHBondContact O-CB 3.5Å; D679-D682 PolarHBondContact O-N 3.08Å; L680-D682 PolarHBondContact O-N 3.41Å
683	C	95.9	Very high	91.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-98.8	-18.2	174.8	-58.4	0	0	0	0	113.9	R677 L680 Q681 R731 V732	R677-C683 VanDerWaalsContact CB-SG 3.56Å; L680-C683 WeakPolarHBondContact O-CA 3.26Å; L680-C683 VanDerWaalsContact O-CB 3.3Å; L680-C683 WeakPolarHBondContact O-CB 3.48Å; L680-C683 PolarHBondContact O-N 3.1Å; Q681-C683 PolarHBondContact O-N 3.44Å; C683-R731 HydrophobicContact CB-CB 4.01Å; C683-R731 WeakPolarHBondContact O-CD 3.22Å; C683-R731 PolarHBondContact O-NH1 2.63Å; C683-V732 HydrophobicContact CB-CG2 3.7Å
684	L	96.7	Very high	92.4	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.084	32%	0.318	C	S	.	.	S	Bend	trans	-77.2	160.9	-173.9	-58.7	-172.1	0	0	0	113.2	L680 Q681 R688 A690 V715 L724 E728	L680-L684 HydrophobicContact CG-CD2 4.45Å; L680-L684 WeakPolarHBondContact O-CG 3.46Å; L680-L684 PolarHBondContact O-N 3.28Å; Q681-L684 PolarHBondContact O-N 3.05Å; L684-R688 HydrophobicContact CB-CB 4.27Å; L684-R688 HydrophobicContact CD1-CB 4.19Å; L684-A690 HydrophobicContact CD1-CB 3.94Å; L684-V715 HydrophobicContact CD1-CG1 3.84Å; L684-V715 HydrophobicContact CD1-CG2 4.08Å; L684-V715 HydrophobicContact CD2-CG1 4.5Å; L684-V715 HydrophobicContact CD2-CG2 3.65Å; L684-L724 HydrophobicContact CD2-CD2 3.5Å; L684-E728 VanDerWaalsContact CA-OE1 3.31Å; L684-E728 WeakPolarHBondContact CA-OE1 3.49Å; L684-E728 HydrophobicContact CD2-CB 4.48Å; L684-E728 HydrophobicContact CD2-CG 4.45Å; L684-E728 WeakPolarHBondContact CD2-OE1 3.29Å
685	E	94.9	Very high	93.3	Very high	55 Å²	55	53.6 Å²	53.6	26%	0.257	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-75.4	161.9	165.6	-66.7	-56.9	150.3	0	0	113	R688 W725 E728 R731	E685-R688 WeakPolarHBondContact O-CB 3.45Å; E685-R688 PolarHBondContact O-N 3.07Å; E685-W725 HydrophobicContact CB-CE3 4.44Å; E685-W725 HydrophobicContact CB-CZ3 4.08Å; E685-W725 HydrophobicContact CG-CE3 3.96Å; E685-W725 HydrophobicContact CG-CZ3 3.95Å; E685-E728 HydrophobicContact CG-CG 4.49Å; E685-E728 PolarHBondContact N-OE1 3.39Å; E685-R731 IonicContact OE1-CZ 3.36Å; E685-R731 IonicContact OE1-NH1 3.08Å; E685-R731 PolarHBondContact OE1-NH1 2.91Å; E685-R731 IonicContact OE1-NH2 2.75Å; E685-R731 PolarHBondContact OE1-NH2 2.65Å
686	H	93.6	Very high	93.8	Very high	184 Å²	184	57.5 Å²	57.5	85%	0.852	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	138.2	177.8	-64.2	81.2	0	0	0	111.7
687	G	92.7	Very high	93.9	Very high	62 Å²	62	58.5 Å²	58.5	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	11.4	-177.1	0	0	0	0	0	114.9
688	R	96.9	Very high	94	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.1	178	-63	164.5	62.5	76.7	-9.4	110.8	Q681 L684 E685 V715 Y716 M717 D722 I723 W725 E728	Q681-R688 PolarHBondContact NE2-O 2.89Å; L684-R688 HydrophobicContact CB-CB 4.27Å; L684-R688 HydrophobicContact CD1-CB 4.19Å; E685-R688 WeakPolarHBondContact O-CB 3.45Å; E685-R688 PolarHBondContact O-N 3.07Å; R688-V715 HydrophobicContact CB-CG1 3.85Å; R688-V715 HydrophobicContact CG-CG1 4.48Å; R688-Y716 WeakPolarHBondContact CA-O 3.13Å; R688-M717 HydrophobicContact CG-CB 4.12Å; R688-M717 HydrophobicContact CG-CG 3.92Å; R688-M717 HydrophobicContact CG-SD 3.97Å; R688-M717 PolarHBondContact NH1-SD 2.95Å; R688-M717 VanDerWaalsContact NH1-SD 3.43Å; R688-D722 IonicContact CZ-OD2 3.27Å; R688-D722 IonicContact NH1-OD2 2.64Å; R688-D722 PolarHBondContact NH1-OD2 2.93Å; R688-D722 IonicContact NH2-OD2 2.78Å; R688-D722 PolarHBondContact NH2-OD2 3.29Å; R688-I723 PolarHBondContact NH2-O 3.42Å; R688-W725 VanDerWaalsContact CZ-CE2 3.41Å; R688-W725 VanDerWaalsContact NH1-CZ2 3.32Å; R688-E728 IonicContact CZ-OE1 3.46Å; R688-E728 IonicContact CZ-OE2 3.59Å; R688-E728 IonicContact NE-OE1 2.71Å; R688-E728 PolarHBondContact NE-OE1 3.3Å; R688-E728 IonicContact NE-OE2 2.74Å; R688-E728 IonicContact NH2-OE1 3.36Å; R688-E728 IonicContact NH2-OE2 3.56Å; R688-E728 PolarHBondContact NH2-OE2 2.79Å
689	T	96.3	Very high	93.8	Very high	81 Å²	81	52.7 Å²	52.7	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.7	-172.9	-52.1	0	0	0	0	110.8	Q681 V715 Y716	Q681-T689 VanDerWaalsContact OE1-CA 3.3Å; T689-V715 CarbonylContact O-C 3.59Å; T689-V715 WeakPolarHBondContact O-CA 3.45Å; T689-Y716 PolarHBondContact N-O 3.1Å; T689-Y716 PolarHBondContact O-N 2.93Å
690	A	96.2	Very high	93.6	Very high	22 Å²	22	52.7 Å²	52.7	18%	0.182	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.8	177.5	0	0	0	0	0	111.2	L680 Q681 L684	L680-A690 HydrophobicContact CB-CB 4.04Å; L680-A690 HydrophobicContact CD2-CB 4.04Å; L680-A690 HydrophobicContact CG-CB 4.11Å; Q681-A690 HydrophobicContact CB-CB 4.03Å; L684-A690 HydrophobicContact CD1-CB 3.94Å
691	K	94.1	Very high	93.2	Very high	50 Å²	50	60.2 Å²	60.2	22%	0.217	30%	0.304	C	S	.	.	S	Bend	trans	-82.5	-22.2	170.9	-61.8	-158.3	-171	-154.1	0	113.6	Y713 P714 Y716 E721	K691-Y713 VanDerWaalsContact CD-O 3.3Å; K691-Y713 WeakPolarHBondContact CD-O 3.45Å; K691-Y713 VanDerWaalsContact CE-O 3.32Å; K691-Y713 WeakPolarHBondContact CE-O 3.4Å; K691-P714 PolarHBondContact N-O 2.8Å; K691-Y716 HydrophobicContact CD-CD2 4.06Å; K691-Y716 HydrophobicContact CD-CE2 3.74Å; K691-Y716 HydrophobicContact CG-CD2 3.67Å; K691-Y716 HydrophobicContact CG-CE2 3.79Å; K691-Y716 HydrophobicContact CG-CG 4.39Å; K691-Y716 VanDerWaalsContact NZ-CE1 3.29Å; K691-Y716 PolarHBondContact NZ-OH 3.16Å; K691-E721 IonicContact NZ-OE1 3.87Å; K691-E721 PolarHBondContact NZ-OE1 2.96Å
692	F	92.1	Very high	92.6	Very high	69 Å²	69	59.3 Å²	59.3	30%	0.303	31%	0.306	S	S	.	.	S	Bend	trans	-136	140.7	-172.7	-53.1	-80.9	0	0	0	108.8	L680 K694 Q707 P714	L680-F692 VanDerWaalsContact CB-O 3.32Å; L680-F692 WeakPolarHBondContact CB-O 3.28Å; L680-F692 WeakPolarHBondContact CD2-O 3.25Å; F692-K694 VanDerWaalsContact C-N 3.27Å; F692-K694 PolarHBondContact O-N 3.38Å; F692-Q707 HydrophobicContact CD2-CB 4.01Å; F692-Q707 HydrophobicContact CD2-CG 3.79Å; F692-Q707 HydrophobicContact CE1-CB 4.32Å; F692-Q707 HydrophobicContact CE2-CB 3.45Å; F692-Q707 VanDerWaalsContact CE2-CB 3.45Å; F692-Q707 HydrophobicContact CE2-CG 3.66Å; F692-Q707 HydrophobicContact CZ-CB 3.64Å; F692-Q707 HydrophobicContact CZ-CG 4.34Å; F692-P714 HydrophobicContact CD2-CB 4.1Å
693	E	92.6	Very high	92.2	Very high	104 Å²	104	60.3 Å²	60.3	49%	0.486	31%	0.312	S	S	.	.	S	Bend	trans	-59	-40.3	174.9	-172.9	-161.2	119.5	0	0	111.4	L680	L680-E693 WeakPolarHBondContact CB-O 3.35Å; L680-E693 PolarHBondContact N-O 3.29Å
694	K	93.9	Very high	91.8	Very high	38 Å²	38	61.5 Å²	61.5	17%	0.165	32%	0.32	C	S	.	.	S	Bend	trans	-137.2	145.4	177.7	-56.9	-176.6	-170.5	-72.6	0	110.7	K648 S651 A652 L678 F692	K648-K694 HydrophobicContact CB-CD 4Å; K648-K694 VanDerWaalsContact O-CE 3.3Å; K648-K694 WeakPolarHBondContact O-CE 3.4Å; K648-K694 PolarHBondContact O-NZ 3.05Å; S651-K694 PolarHBondContact O-NZ 2.85Å; A652-K694 CarbonylContact O-C 3.58Å; A652-K694 VanDerWaalsContact O-CA 3.25Å; A652-K694 WeakPolarHBondContact O-CA 3.43Å; L678-K694 PolarHBondContact O-NZ 2.63Å; F692-K694 VanDerWaalsContact C-N 3.27Å; F692-K694 PolarHBondContact O-N 3.38Å
695	V	94	Very high	91.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-84.5	152.8	171.7	-67.1	0	0	0	0	112	A652 A653 H654 L680 I698 P714 L724 V732	A652-V695 WeakPolarHBondContact O-CG2 3.46Å; A652-V695 PolarHBondContact O-N 2.88Å; A653-V695 WeakPolarHBondContact CA-O 3.47Å; A653-V695 HydrophobicContact CB-CG2 3.84Å; H654-V695 PolarHBondContact N-O 3.04Å; L680-V695 HydrophobicContact CD1-CG1 3.91Å; L680-V695 HydrophobicContact CD2-CG1 3.65Å; L680-V695 HydrophobicContact CG-CG1 4.41Å; V695-I698 HydrophobicContact CG2-CD1 3.97Å; V695-I698 HydrophobicContact CG2-CG1 4.32Å; V695-P714 HydrophobicContact CG1-CB 3.89Å; V695-P714 HydrophobicContact CG1-CG 4.35Å; V695-L724 HydrophobicContact CG1-CD1 4.1Å; V695-V732 HydrophobicContact CG2-CG1 4Å
696	R	92.3	Very high	91.1	Very high	134 Å²	134	60.6 Å²	60.6	51%	0.506	31%	0.314	S	S	.	.			trans	-65.2	165.4	163.3	-67.3	174.4	178.2	176.9	3.1	111.2	I698 Q707 G708	R696-I698 PolarHBondContact O-N 2.93Å; R696-Q707 VanDerWaalsContact CB-OE1 3.3Å; R696-Q707 VanDerWaalsContact CG-OE1 3.27Å; R696-G708 PolarHBondContact NH1-O 2.81Å
697	T	88.8	Confident	90.8	Very high	46 Å²	46	52 Å²	52	28%	0.282	28%	0.275	S	S	.	.			trans	-55.4	106.9	-177.2	-51	0	0	0	0	112.5	H654 R655 T699	H654-T697 WeakPolarHBondContact O-CA 3.26Å; H654-T697 WeakPolarHBondContact O-CB 3.34Å; H654-T697 PolarHBondContact O-N 2.68Å; H654-T697 PolarHBondContact O-OG1 3.36Å; R655-T697 HydrophobicContact CG-CG2 4.23Å; T697-T699 HydrophobicContact CG2-CG2 4.39Å; T697-T699 WeakPolarHBondContact O-CG2 3.15Å
698	I	89.9	Confident	90.3	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.254	C	S	.	.			trans	-72.1	134.3	171.5	-60.9	169.8	0	0	0	108.8	V695 R696 I705 L724 M729 F733	V695-I698 HydrophobicContact CG2-CD1 3.97Å; V695-I698 HydrophobicContact CG2-CG1 4.32Å; R696-I698 PolarHBondContact O-N 2.93Å; I698-I705 HydrophobicContact CG2-CG1 4.25Å; I698-L724 HydrophobicContact CD1-CD1 3.68Å; I698-M729 HydrophobicContact CD1-CG 4.43Å; I698-M729 HydrophobicContact CG2-CE 3.64Å; I698-M729 HydrophobicContact CG2-SD 4.43Å; I698-F733 HydrophobicContact CB-CE2 4.08Å; I698-F733 HydrophobicContact CB-CZ 3.95Å; I698-F733 HydrophobicContact CD1-CE2 4.31Å; I698-F733 HydrophobicContact CG2-CZ 4.39Å
699	T	89.1	Confident	89.5	Confident	44 Å²	44	58.7 Å²	58.7	27%	0.27	29%	0.292	S	S	.	.			trans	-127.2	-177	-175.1	73.8	0	0	0	0	111.2	T697 R701 S704 Q751	T697-T699 HydrophobicContact CG2-CG2 4.39Å; T697-T699 WeakPolarHBondContact O-CG2 3.15Å; T699-R701 PolarHBondContact O-N 3.27Å; T699-R701 PolarHBondContact OG1-N 2.94Å; T699-R701 VanDerWaalsContact OG1-N 3.16Å; T699-S704 WeakPolarHBondContact CA-OG 3.32Å; T699-S704 PolarHBondContact N-OG 3.42Å; T699-S704 PolarHBondContact O-OG 2.84Å; T699-S704 VanDerWaalsContact OG1-CB 3.26Å; T699-S704 WeakPolarHBondContact OG1-CB 3.32Å; T699-S704 PolarHBondContact OG1-OG 2.59Å; T699-Q751 PolarHBondContact O-NE2 2.82Å
700	T	88.9	Confident	88.7	Confident	35 Å²	35	60.7 Å²	60.7	22%	0.215	30%	0.299	C	S	.	.	S	Bend	trans	-61.2	-15.4	171.2	56.4	0	0	0	0	115.2	R752 R756	T700-R752 HydrophobicContact CG2-CB 4.49Å; T700-R752 WeakPolarHBondContact O-CG 3.46Å; T700-R756 HydrophobicContact CG2-CG 3.65Å
701	R	87.2	Confident	88.2	Confident	158 Å²	158	63.7 Å²	63.7	60%	0.596	31%	0.31	S	S	*	.	S	Bend	trans	-89.6	126.5	177.2	-63.5	-174.9	179.5	-172.9	1.2	110.4	T699 N703 S704 Q751	T699-R701 PolarHBondContact O-N 3.27Å; T699-R701 PolarHBondContact OG1-N 2.94Å; T699-R701 VanDerWaalsContact OG1-N 3.16Å; R701-N703 PolarHBondContact O-N 2.91Å; R701-N703 VanDerWaalsContact O-N 3.12Å; R701-S704 WeakPolarHBondContact O-CB 3.5Å; R701-S704 PolarHBondContact O-N 3.13Å; R701-S704 PolarHBondContact O-OG 3.27Å; R701-Q751 PolarHBondContact O-NE2 3.36Å
702	S	84.1	Confident	88	Confident	61 Å²	61	65.1 Å²	65.1	43%	0.427	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-43.6	-47.8	176.6	48.9	0	0	0	0	113.1	S704 I705	S702-S704 PolarHBondContact O-N 3.45Å; S702-S704 VanDerWaalsContact O-N 3.13Å; S702-I705 PolarHBondContact O-N 2.95Å
703	N	85.8	Confident	88	Confident	101 Å²	101	65.7 Å²	65.7	54%	0.54	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.4	-15.9	-174.7	-61.6	7.3	0	0	0	113.7	R701 I705 K706	R701-N703 PolarHBondContact O-N 2.91Å; R701-N703 VanDerWaalsContact O-N 3.12Å; N703-I705 PolarHBondContact O-N 3.19Å; N703-K706 HydrophobicContact CB-CD 4.4Å; N703-K706 VanDerWaalsContact O-CB 3.26Å; N703-K706 WeakPolarHBondContact O-CB 3.46Å; N703-K706 PolarHBondContact O-N 3.25Å
704	S	87.1	Confident	88.1	Confident	24 Å²	24	60.7 Å²	60.7	17%	0.168	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-72	-3.2	176.5	62.4	0	0	0	0	114.8	T699 R701 S702 K706	T699-S704 WeakPolarHBondContact CA-OG 3.32Å; T699-S704 PolarHBondContact N-OG 3.42Å; T699-S704 PolarHBondContact O-OG 2.84Å; T699-S704 VanDerWaalsContact OG1-CB 3.26Å; T699-S704 WeakPolarHBondContact OG1-CB 3.32Å; T699-S704 PolarHBondContact OG1-OG 2.59Å; R701-S704 WeakPolarHBondContact O-CB 3.5Å; R701-S704 PolarHBondContact O-N 3.13Å; R701-S704 PolarHBondContact O-OG 3.27Å; S702-S704 PolarHBondContact O-N 3.45Å; S702-S704 VanDerWaalsContact O-N 3.13Å; S704-K706 VanDerWaalsContact C-N 3.31Å
705	I	88.4	Confident	88.2	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.015	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-74.4	-25.3	164.9	-65	172.3	0	0	0	110.9	I698 S702 N703 Q707 P714 I723 M729	I698-I705 HydrophobicContact CG2-CG1 4.25Å; S702-I705 PolarHBondContact O-N 2.95Å; N703-I705 PolarHBondContact O-N 3.19Å; I705-Q707 PolarHBondContact O-NE2 2.77Å; I705-P714 HydrophobicContact CG2-CG 4.02Å; I705-P714 WeakPolarHBondContact O-CD 3.44Å; I705-I723 HydrophobicContact CG2-CB 4.13Å; I705-I723 HydrophobicContact CG2-CG2 4.16Å; I705-M729 HydrophobicContact CD1-SD 4.35Å
706	K	89.4	Confident	88.3	Confident	49 Å²	49	63.9 Å²	63.9	21%	0.213	31%	0.306	C	S	.	.			trans	-74.3	145.3	-179.6	-66.5	164.3	153.4	-75.4	0	111.4	N703 S704 Q711 H712 Y713	N703-K706 HydrophobicContact CB-CD 4.4Å; N703-K706 VanDerWaalsContact O-CB 3.26Å; N703-K706 WeakPolarHBondContact O-CB 3.46Å; N703-K706 PolarHBondContact O-N 3.25Å; S704-K706 VanDerWaalsContact C-N 3.31Å; K706-Q711 HydrophobicContact CB-CB 4.29Å; K706-Q711 HydrophobicContact CD-CB 4.06Å; K706-Q711 WeakPolarHBondContact CG-O 3.43Å; K706-Q711 PolarHBondContact NZ-O 3.43Å; K706-H712 CarbonylContact C-O 3.58Å; K706-H712 VanDerWaalsContact CA-O 3.32Å; K706-H712 WeakPolarHBondContact CA-O 3.26Å; K706-Y713 HydrophobicContact CD-CE1 4.07Å; K706-Y713 VanDerWaalsContact CE-CE1 3.46Å; K706-Y713 HydrophobicContact CG-CD1 3.7Å; K706-Y713 HydrophobicContact CG-CE1 3.57Å
707	Q	87.9	Confident	88.4	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.023	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-118.5	174.3	-173	-52.2	-57	-44.9	0	0	111.4	F692 R696 I705 Q711 H712 P714	F692-Q707 HydrophobicContact CD2-CB 4.01Å; F692-Q707 HydrophobicContact CD2-CG 3.79Å; F692-Q707 HydrophobicContact CE1-CB 4.32Å; F692-Q707 HydrophobicContact CE2-CB 3.45Å; F692-Q707 VanDerWaalsContact CE2-CB 3.45Å; F692-Q707 HydrophobicContact CE2-CG 3.66Å; F692-Q707 HydrophobicContact CZ-CB 3.64Å; F692-Q707 HydrophobicContact CZ-CG 4.34Å; R696-Q707 VanDerWaalsContact CB-OE1 3.3Å; R696-Q707 VanDerWaalsContact CG-OE1 3.27Å; I705-Q707 PolarHBondContact O-NE2 2.77Å; Q707-Q711 WeakPolarHBondContact O-CA 3.15Å; Q707-Q711 PolarHBondContact O-N 3.11Å; Q707-Q711 VanDerWaalsContact O-N 3.17Å; Q707-H712 PolarHBondContact N-O 2.96Å; Q707-H712 PolarHBondContact O-N 3.28Å; Q707-P714 HydrophobicContact CG-CB 3.95Å
708	G	81.8	Confident	88.6	Confident	19 Å²	19	64.5 Å²	64.5	20%	0.196	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	-167	-179.2	0	0	0	0	0	114.3	R696	R696-G708 PolarHBondContact NH1-O 2.81Å
709	K	78.9	Confident	88.5	Confident	188 Å²	188	73.3 Å²	73.3	82%	0.817	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-38.1	160	-70.5	177.8	179	175.1	0	108.9	Q711	K709-Q711 PolarHBondContact O-N 2.87Å; K709-Q711 PolarHBondContact O-NE2 3.11Å
710	D	80.9	Confident	88.8	Confident	122 Å²	122	78.9 Å²	78.9	65%	0.652	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	5.9	-162.7	-36.9	-80	0	0	0	113.5	H712	D710-H712 PolarHBondContact O-N 3.41Å
711	Q	84.5	Confident	89	Confident	86 Å²	86	80.7 Å²	80.7	40%	0.402	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	27.8	167.2	-57.9	-57.7	-64.2	0	0	115.9	K706 Q707 K709	K706-Q711 HydrophobicContact CB-CB 4.29Å; K706-Q711 HydrophobicContact CD-CB 4.06Å; K706-Q711 WeakPolarHBondContact CG-O 3.43Å; K706-Q711 PolarHBondContact NZ-O 3.43Å; Q707-Q711 WeakPolarHBondContact O-CA 3.15Å; Q707-Q711 PolarHBondContact O-N 3.11Å; Q707-Q711 VanDerWaalsContact O-N 3.17Å; K709-Q711 PolarHBondContact O-N 2.87Å; K709-Q711 PolarHBondContact O-NE2 3.11Å
712	H	89.5	Confident	89.4	Confident	80 Å²	80	75 Å²	75	37%	0.37	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-57.3	146.3	172.5	-67.8	-70.9	0	0	0	112.6	K706 Q707 D710 E721	K706-H712 CarbonylContact C-O 3.58Å; K706-H712 VanDerWaalsContact CA-O 3.32Å; K706-H712 WeakPolarHBondContact CA-O 3.26Å; Q707-H712 PolarHBondContact N-O 2.96Å; Q707-H712 PolarHBondContact O-N 3.28Å; D710-H712 PolarHBondContact O-N 3.41Å; H712-E721 IonicContact CE1-OE1 2.81Å; H712-E721 IonicContact CG-OE1 2.62Å; H712-E721 IonicContact ND1-OE1 3.63Å; H712-E721 PolarHBondContact ND1-OE1 3.31Å
713	Y	93.7	Very high	89.8	Confident	80 Å²	80	73.9 Å²	73.9	31%	0.314	35%	0.354	S	S	.	.			trans	-80.4	149.1	166.7	-56.5	-61.1	0	0	0	111.7	K691 K706 V715 E721 D722 I723	K691-Y713 VanDerWaalsContact CD-O 3.3Å; K691-Y713 WeakPolarHBondContact CD-O 3.45Å; K691-Y713 VanDerWaalsContact CE-O 3.32Å; K691-Y713 WeakPolarHBondContact CE-O 3.4Å; K706-Y713 HydrophobicContact CD-CE1 4.07Å; K706-Y713 VanDerWaalsContact CE-CE1 3.46Å; K706-Y713 HydrophobicContact CG-CD1 3.7Å; K706-Y713 HydrophobicContact CG-CE1 3.57Å; Y713-V715 VanDerWaalsContact C-N 3.32Å; Y713-V715 PolarHBondContact O-N 3.33Å; Y713-E721 HydrophobicContact CD2-CB 3.9Å; Y713-E721 PolarHBondContact N-OE2 2.83Å; Y713-D722 VanDerWaalsContact CB-O 3.24Å; Y713-D722 WeakPolarHBondContact CB-O 3.32Å; Y713-I723 HydrophobicContact CD1-CG2 3.42Å; Y713-I723 VanDerWaalsContact CD1-CG2 3.42Å; Y713-I723 HydrophobicContact CE1-CG2 3.56Å; Y713-I723 HydrophobicContact CG-CG2 3.96Å
714	P	94.3	Very high	90.3	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-79.8	-5.3	-166.9	30.5	-35.2	0	0	0	115.4	L680 K691 F692 V695 I705 Q707 L724	L680-P714 HydrophobicContact CD2-CB 4.15Å; K691-P714 PolarHBondContact N-O 2.8Å; F692-P714 HydrophobicContact CD2-CB 4.1Å; V695-P714 HydrophobicContact CG1-CB 3.89Å; V695-P714 HydrophobicContact CG1-CG 4.35Å; I705-P714 HydrophobicContact CG2-CG 4.02Å; I705-P714 WeakPolarHBondContact O-CD 3.44Å; Q707-P714 HydrophobicContact CG-CB 3.95Å; P714-L724 HydrophobicContact CG-CD1 4.32Å; P714-L724 HydrophobicContact CG-CG 4.01Å
715	V	96.5	Very high	90.6	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.2	-174.8	-175.1	0	0	0	0	110.5	L684 R688 T689 Y713 E721 D722 L724	L684-V715 HydrophobicContact CD1-CG1 3.84Å; L684-V715 HydrophobicContact CD1-CG2 4.08Å; L684-V715 HydrophobicContact CD2-CG1 4.5Å; L684-V715 HydrophobicContact CD2-CG2 3.65Å; R688-V715 HydrophobicContact CB-CG1 3.85Å; R688-V715 HydrophobicContact CG-CG1 4.48Å; T689-V715 CarbonylContact O-C 3.59Å; T689-V715 WeakPolarHBondContact O-CA 3.45Å; Y713-V715 VanDerWaalsContact C-N 3.32Å; Y713-V715 PolarHBondContact O-N 3.33Å; V715-E721 WeakPolarHBondContact O-CA 3.31Å; V715-D722 WeakPolarHBondContact CB-O 3.48Å; V715-D722 PolarHBondContact N-O 3.17Å; V715-D722 PolarHBondContact O-N 3.43Å; V715-L724 HydrophobicContact CG2-CD2 3.85Å; V715-L724 HydrophobicContact CG2-CG 4.37Å
716	Y	95.9	Very high	91	Very high	104 Å²	104	72.7 Å²	72.7	41%	0.408	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.1	159.9	-79.9	-64.1	0	0	0	110.4	R688 T689 K691 K720 E721	R688-Y716 WeakPolarHBondContact CA-O 3.13Å; T689-Y716 PolarHBondContact N-O 3.1Å; T689-Y716 PolarHBondContact O-N 2.93Å; K691-Y716 HydrophobicContact CD-CD2 4.06Å; K691-Y716 HydrophobicContact CD-CE2 3.74Å; K691-Y716 HydrophobicContact CG-CD2 3.67Å; K691-Y716 HydrophobicContact CG-CE2 3.79Å; K691-Y716 HydrophobicContact CG-CG 4.39Å; K691-Y716 VanDerWaalsContact NZ-CE1 3.29Å; K691-Y716 PolarHBondContact NZ-OH 3.16Å; Y716-K720 CarbonylContact C-O 3.6Å; Y716-K720 WeakPolarHBondContact CA-O 3.45Å; Y716-E721 HydrophobicContact CE1-CG 4.4Å
717	M	94.6	Very high	91.3	Very high	62 Å²	62	71.4 Å²	71.4	31%	0.305	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	122.5	167.9	-172.9	177.7	-179.8	0	0	108.4	R688 E719 K720 W725	R688-M717 HydrophobicContact CG-CB 4.12Å; R688-M717 HydrophobicContact CG-CG 3.92Å; R688-M717 HydrophobicContact CG-SD 3.97Å; R688-M717 PolarHBondContact NH1-SD 2.95Å; R688-M717 VanDerWaalsContact NH1-SD 3.43Å; M717-E719 VanDerWaalsContact C-N 3.3Å; M717-E719 PolarHBondContact O-N 2.67Å; M717-K720 PolarHBondContact N-O 3.05Å; M717-K720 PolarHBondContact O-N 2.77Å; M717-K720 VanDerWaalsContact O-N 3.09Å; M717-W725 HydrophobicContact CE-CH2 4.26Å; M717-W725 HydrophobicContact CE-CZ2 4.41Å; M717-W725 HydrophobicContact SD-CH2 4.12Å; M717-W725 HydrophobicContact SD-CZ2 3.75Å
718	N	91.5	Very high	91.7	Very high	132 Å²	132	71.1 Å²	71.1	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	53.5	-174.3	-57.1	-15.1	0	0	0	111.8	K720	N718-K720 PolarHBondContact O-N 3.01Å
719	E	89.1	Confident	92.4	Very high	187 Å²	187	70.3 Å²	70.3	87%	0.874	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-2	179.9	-57.4	175.4	162.6	0	0	116.1	M717	M717-E719 VanDerWaalsContact C-N 3.3Å; M717-E719 PolarHBondContact O-N 2.67Å
720	K	94.2	Very high	93.3	Very high	161 Å²	161	61.3 Å²	61.3	70%	0.7	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	147.1	179.4	-66.1	176	-176.7	178.7	0	111.6	Y716 M717 N718	Y716-K720 CarbonylContact C-O 3.6Å; Y716-K720 WeakPolarHBondContact CA-O 3.45Å; M717-K720 PolarHBondContact N-O 3.05Å; M717-K720 PolarHBondContact O-N 2.77Å; M717-K720 VanDerWaalsContact O-N 3.09Å; N718-K720 PolarHBondContact O-N 3.01Å
721	E	94.5	Very high	94	Very high	72 Å²	72	58 Å²	58	34%	0.336	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	134.7	172.9	-57.9	-146.8	155.6	0	0	111.1	K691 H712 Y713 V715 Y716	K691-E721 IonicContact NZ-OE1 3.87Å; K691-E721 PolarHBondContact NZ-OE1 2.96Å; H712-E721 IonicContact CE1-OE1 2.81Å; H712-E721 IonicContact CG-OE1 2.62Å; H712-E721 IonicContact ND1-OE1 3.63Å; H712-E721 PolarHBondContact ND1-OE1 3.31Å; Y713-E721 HydrophobicContact CD2-CB 3.9Å; Y713-E721 PolarHBondContact N-OE2 2.83Å; V715-E721 WeakPolarHBondContact O-CA 3.31Å; Y716-E721 HydrophobicContact CE1-CG 4.4Å
722	D	94.4	Very high	94.6	Very high	39 Å²	39	53.9 Å²	53.9	21%	0.209	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.1	170.8	-169	28.8	0	0	0	112.6	R688 Y713 V715 W725	R688-D722 IonicContact CZ-OD2 3.27Å; R688-D722 IonicContact NH1-OD2 2.64Å; R688-D722 PolarHBondContact NH1-OD2 2.93Å; R688-D722 IonicContact NH2-OD2 2.78Å; R688-D722 PolarHBondContact NH2-OD2 3.29Å; Y713-D722 VanDerWaalsContact CB-O 3.24Å; Y713-D722 WeakPolarHBondContact CB-O 3.32Å; V715-D722 WeakPolarHBondContact CB-O 3.48Å; V715-D722 PolarHBondContact N-O 3.17Å; V715-D722 PolarHBondContact O-N 3.43Å; D722-W725 PolarHBondContact OD2-NE1 3.34Å
723	I	93.7	Very high	94.9	Very high	37 Å²	37	50.4 Å²	50.4	19%	0.19	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-78.5	158.1	174.8	62.7	-138.9	0	0	0	111.7	R688 I705 Y713 W725	R688-I723 PolarHBondContact NH2-O 3.42Å; I705-I723 HydrophobicContact CG2-CB 4.13Å; I705-I723 HydrophobicContact CG2-CG2 4.16Å; Y713-I723 HydrophobicContact CD1-CG2 3.42Å; Y713-I723 VanDerWaalsContact CD1-CG2 3.42Å; Y713-I723 HydrophobicContact CE1-CG2 3.56Å; Y713-I723 HydrophobicContact CG-CG2 3.96Å; I723-W725 PolarHBondContact O-N 3.11Å
724	L	94.8	Very high	95	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-61.5	134.4	165.6	-71	168.1	0	0	0	110.9	L680 L684 V695 I698 P714 V715 E728 M729	L680-L724 HydrophobicContact CD1-CD1 4.33Å; L680-L724 HydrophobicContact CD1-CD2 4.07Å; L684-L724 HydrophobicContact CD2-CD2 3.5Å; V695-L724 HydrophobicContact CG1-CD1 4.1Å; I698-L724 HydrophobicContact CD1-CD1 3.68Å; P714-L724 HydrophobicContact CG-CD1 4.32Å; P714-L724 HydrophobicContact CG-CG 4.01Å; V715-L724 HydrophobicContact CG2-CD2 3.85Å; V715-L724 HydrophobicContact CG2-CG 4.37Å; L724-E728 WeakPolarHBondContact CA-OE2 3.43Å; L724-E728 HydrophobicContact CD2-CB 3.87Å; L724-M729 HydrophobicContact CB-CG 3.89Å; L724-M729 HydrophobicContact CD1-CG 4.44Å
725	W	95.1	Very high	95.2	Very high	93 Å²	93	48.2 Å²	48.2	35%	0.352	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-80.2	160.1	170.8	-57.6	-8.3	0	0	0	110.1	E685 R688 M717 D722 I723 E728 M729	E685-W725 HydrophobicContact CB-CE3 4.44Å; E685-W725 HydrophobicContact CB-CZ3 4.08Å; E685-W725 HydrophobicContact CG-CE3 3.96Å; E685-W725 HydrophobicContact CG-CZ3 3.95Å; R688-W725 VanDerWaalsContact CZ-CE2 3.41Å; R688-W725 VanDerWaalsContact NH1-CZ2 3.32Å; M717-W725 HydrophobicContact CE-CH2 4.26Å; M717-W725 HydrophobicContact CE-CZ2 4.41Å; M717-W725 HydrophobicContact SD-CH2 4.12Å; M717-W725 HydrophobicContact SD-CZ2 3.75Å; D722-W725 PolarHBondContact OD2-NE1 3.34Å; I723-W725 PolarHBondContact O-N 3.11Å; W725-E728 HydrophobicContact CB-CG 4.14Å; W725-E728 PolarHBondContact N-OE2 3.4Å; W725-E728 WeakPolarHBondContact O-CB 3.49Å; W725-E728 PolarHBondContact O-N 3.44Å; W725-E728 VanDerWaalsContact O-N 3.11Å; W725-M729 PolarHBondContact O-N 2.93Å
726	C	95	Very high	95.2	Very high	10 Å²	10	51 Å²	51	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-39.6	-178.2	-66	0	0	0	0	114.2	E728 M729 E730 R750	C726-E728 VanDerWaalsContact C-N 3.32Å; C726-E728 PolarHBondContact O-N 3.41Å; C726-M729 PolarHBondContact O-N 3.19Å; C726-E730 VanDerWaalsContact O-CG 3.31Å; C726-E730 WeakPolarHBondContact O-CG 3.45Å; C726-E730 PolarHBondContact O-N 2.97Å; C726-R750 HydrophobicContact CB-CB 4.48Å
727	P	95.8	Very high	95.1	Very high	22 Å²	22	48.9 Å²	48.9	14%	0.143	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-36.8	172.1	-27.5	38.1	0	0	0	114	E730 R731 V737	P727-E730 WeakPolarHBondContact CA-OE2 3.45Å; P727-E730 PolarHBondContact O-N 3.13Å; P727-R731 PolarHBondContact O-N 3.27Å; P727-V737 HydrophobicContact CB-CG1 3.78Å
728	E	96.8	Very high	95.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-42.6	177	-53.5	178.9	133.9	0	0	110.3	L684 E685 R688 L724 W725 C726 E730 R731 V732	L684-E728 VanDerWaalsContact CA-OE1 3.31Å; L684-E728 WeakPolarHBondContact CA-OE1 3.49Å; L684-E728 HydrophobicContact CD2-CB 4.48Å; L684-E728 HydrophobicContact CD2-CG 4.45Å; L684-E728 WeakPolarHBondContact CD2-OE1 3.29Å; E685-E728 HydrophobicContact CG-CG 4.49Å; E685-E728 PolarHBondContact N-OE1 3.39Å; R688-E728 IonicContact CZ-OE1 3.46Å; R688-E728 IonicContact CZ-OE2 3.59Å; R688-E728 IonicContact NE-OE1 2.71Å; R688-E728 PolarHBondContact NE-OE1 3.3Å; R688-E728 IonicContact NE-OE2 2.74Å; R688-E728 IonicContact NH2-OE1 3.36Å; R688-E728 IonicContact NH2-OE2 3.56Å; R688-E728 PolarHBondContact NH2-OE2 2.79Å; L724-E728 WeakPolarHBondContact CA-OE2 3.43Å; L724-E728 HydrophobicContact CD2-CB 3.87Å; W725-E728 HydrophobicContact CB-CG 4.14Å; W725-E728 PolarHBondContact N-OE2 3.4Å; W725-E728 WeakPolarHBondContact O-CB 3.49Å; W725-E728 PolarHBondContact O-N 3.44Å; W725-E728 VanDerWaalsContact O-N 3.11Å; C726-E728 VanDerWaalsContact C-N 3.32Å; C726-E728 PolarHBondContact O-N 3.41Å; E728-E730 VanDerWaalsContact C-N 3.34Å; E728-E730 PolarHBondContact O-N 3.12Å; E728-R731 PolarHBondContact O-N 3.4Å; E728-V732 VanDerWaalsContact O-CG2 3.28Å; E728-V732 WeakPolarHBondContact O-CG2 3.5Å; E728-V732 PolarHBondContact O-N 2.83Å
729	M	96.4	Very high	95.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-38.7	172.2	-74.9	-170.7	51.7	0	0	113	I698 I705 L724 W725 C726 V732 F733 Q751 L754	I698-M729 HydrophobicContact CD1-CG 4.43Å; I698-M729 HydrophobicContact CG2-CE 3.64Å; I698-M729 HydrophobicContact CG2-SD 4.43Å; I705-M729 HydrophobicContact CD1-SD 4.35Å; L724-M729 HydrophobicContact CB-CG 3.89Å; L724-M729 HydrophobicContact CD1-CG 4.44Å; W725-M729 PolarHBondContact O-N 2.93Å; C726-M729 PolarHBondContact O-N 3.19Å; M729-V732 PolarHBondContact O-N 3.02Å; M729-F733 HydrophobicContact CE-CE2 4.41Å; M729-F733 WeakPolarHBondContact O-CD2 3.44Å; M729-F733 PolarHBondContact O-N 2.64Å; M729-F733 VanDerWaalsContact O-N 3.09Å; M729-Q751 HydrophobicContact CE-CB 4.44Å; M729-Q751 HydrophobicContact CE-CG 4.06Å; M729-Q751 HydrophobicContact SD-CB 4.48Å; M729-Q751 HydrophobicContact SD-CG 4.27Å; M729-L754 HydrophobicContact CB-CD1 3.89Å; M729-L754 HydrophobicContact CE-CB 3.84Å; M729-L754 HydrophobicContact CE-CD1 3.94Å
730	E	97.4	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-48.3	176.6	-77.1	160.4	168.3	0	0	110.2	C726 P727 E728 V732 F733 G734 F735 H738 Y739 T740 R750 L754	C726-E730 VanDerWaalsContact O-CG 3.31Å; C726-E730 WeakPolarHBondContact O-CG 3.45Å; C726-E730 PolarHBondContact O-N 2.97Å; P727-E730 WeakPolarHBondContact CA-OE2 3.45Å; P727-E730 PolarHBondContact O-N 3.13Å; E728-E730 VanDerWaalsContact C-N 3.34Å; E728-E730 PolarHBondContact O-N 3.12Å; E730-V732 PolarHBondContact O-N 3.37Å; E730-F733 PolarHBondContact O-N 2.83Å; E730-G734 PolarHBondContact O-N 3.31Å; E730-F735 HydrophobicContact CB-CB 4.17Å; E730-F735 HydrophobicContact CG-CB 4.49Å; E730-F735 PolarHBondContact O-N 3.34Å; E730-H738 WeakPolarHBondContact OE2-CA 3.39Å; E730-H738 PolarHBondContact OE2-N 3.18Å; E730-Y739 PolarHBondContact OE1-N 3.25Å; E730-T740 WeakPolarHBondContact OE1-CA 3.46Å; E730-T740 WeakPolarHBondContact OE1-CB 3.49Å; E730-T740 PolarHBondContact OE1-N 3.28Å; E730-T740 PolarHBondContact OE1-OG1 3.06Å; E730-R750 IonicContact OE1-CZ 3.75Å; E730-R750 IonicContact OE1-NE 2.69Å; E730-R750 IonicContact OE1-NH2 2.72Å; E730-R750 PolarHBondContact OE1-NH2 2.81Å; E730-R750 IonicContact OE2-NH2 3.51Å; E730-R750 PolarHBondContact OE2-NH2 2.74Å; E730-L754 HydrophobicContact CG-CD1 3.94Å; E730-L754 HydrophobicContact CG-CD2 3.96Å
731	R	96.6	Very high	95.9	Very high	51 Å²	51	31.1 Å²	31.1	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-44.6	174.2	-66.1	176.7	-167.2	123.1	5.3	113.2	C683 E685 P727 E728 F733 G734 V737	C683-R731 HydrophobicContact CB-CB 4.01Å; C683-R731 WeakPolarHBondContact O-CD 3.22Å; C683-R731 PolarHBondContact O-NH1 2.63Å; E685-R731 IonicContact OE1-CZ 3.36Å; E685-R731 IonicContact OE1-NH1 3.08Å; E685-R731 PolarHBondContact OE1-NH1 2.91Å; E685-R731 IonicContact OE1-NH2 2.75Å; E685-R731 PolarHBondContact OE1-NH2 2.65Å; P727-R731 PolarHBondContact O-N 3.27Å; E728-R731 PolarHBondContact O-N 3.4Å; R731-F733 PolarHBondContact O-N 2.7Å; R731-G734 PolarHBondContact O-N 2.95Å; R731-V737 HydrophobicContact CG-CG2 4.09Å
732	V	96.5	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-31	177.9	169	0	0	0	0	112.1	S651 A652 A653 L680 C683 V695 E728 M729 E730	S651-V732 WeakPolarHBondContact CB-O 3.48Å; A652-V732 HydrophobicContact CB-CG2 4.32Å; A653-V732 HydrophobicContact CB-CG1 3.56Å; L680-V732 HydrophobicContact CD1-CG2 3.68Å; C683-V732 HydrophobicContact CB-CG2 3.7Å; V695-V732 HydrophobicContact CG2-CG1 4Å; E728-V732 VanDerWaalsContact O-CG2 3.28Å; E728-V732 WeakPolarHBondContact O-CG2 3.5Å; E728-V732 PolarHBondContact O-N 2.83Å; M729-V732 PolarHBondContact O-N 3.02Å; E730-V732 PolarHBondContact O-N 3.37Å
733	F	96.8	Very high	95.4	Very high	7 Å²	7	30 Å²	30	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-91.5	-6.3	177.6	-77.3	-124	0	0	0	112.7	R655 I698 M729 E730 R731 F735 L754 S759 V760	R655-F733 VanDerWaalsContact NH1-CE1 3.26Å; I698-F733 HydrophobicContact CB-CE2 4.08Å; I698-F733 HydrophobicContact CB-CZ 3.95Å; I698-F733 HydrophobicContact CD1-CE2 4.31Å; I698-F733 HydrophobicContact CG2-CZ 4.39Å; M729-F733 HydrophobicContact CE-CE2 4.41Å; M729-F733 WeakPolarHBondContact O-CD2 3.44Å; M729-F733 PolarHBondContact O-N 2.64Å; M729-F733 VanDerWaalsContact O-N 3.09Å; E730-F733 PolarHBondContact O-N 2.83Å; R731-F733 PolarHBondContact O-N 2.7Å; F733-F735 HydrophobicContact CB-CD2 3.71Å; F733-F735 HydrophobicContact CB-CE2 4.03Å; F733-L754 WeakPolarHBondContact CD1-O 3.27Å; F733-L754 HydrophobicContact CE1-CB 4.48Å; F733-L754 WeakPolarHBondContact CE1-O 3.34Å; F733-S759 WeakPolarHBondContact O-CA 3.41Å; F733-V760 PolarHBondContact O-N 3.35Å
734	G	96.1	Very high	95.2	Very high	28 Å²	28	36.4 Å²	36.4	29%	0.289	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	9.2	-178.3	0	0	0	0	0	115.2	E730 R731 V760	E730-G734 PolarHBondContact O-N 3.31Å; R731-G734 PolarHBondContact O-N 2.95Å; G734-V760 WeakPolarHBondContact O-CB 3.5Å
735	F	97.4	Very high	95.1	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-75.9	150	176.1	-74.2	-85.8	0	0	0	111.7	I508 T510 L513 E730 F733 Y739 L754 A757 W758 V760	I508-F735 HydrophobicContact CD1-CD1 4.49Å; I508-F735 HydrophobicContact CD1-CE1 3.85Å; I508-F735 HydrophobicContact CD1-CE2 4.2Å; I508-F735 HydrophobicContact CD1-CZ 3.7Å; I508-F735 HydrophobicContact CG1-CE1 4.14Å; I508-F735 HydrophobicContact CG1-CZ 4.07Å; T510-F735 HydrophobicContact CG2-CE1 3.95Å; T510-F735 HydrophobicContact CG2-CZ 3.63Å; L513-F735 HydrophobicContact CD2-CD1 3.52Å; L513-F735 HydrophobicContact CD2-CE1 3.76Å; E730-F735 HydrophobicContact CB-CB 4.17Å; E730-F735 HydrophobicContact CG-CB 4.49Å; E730-F735 PolarHBondContact O-N 3.34Å; F733-F735 HydrophobicContact CB-CD2 3.71Å; F733-F735 HydrophobicContact CB-CE2 4.03Å; F735-Y739 HydrophobicContact CB-CG 4.4Å; F735-Y739 AromaticContact CD1-CD1 3.42Å; F735-Y739 HydrophobicContact CD1-CD1 3.42Å; F735-Y739 VanDerWaalsContact CD1-CD1 3.42Å; F735-Y739 HydrophobicContact CD1-CD2 4.33Å; F735-Y739 AromaticContact CD1-CE1 3.66Å; F735-Y739 HydrophobicContact CD1-CE1 3.66Å; F735-Y739 AromaticContact CD1-CG 3.79Å; F735-Y739 HydrophobicContact CD1-CG 3.79Å; F735-Y739 AromaticContact CE1-CD1 3.89Å; F735-Y739 HydrophobicContact CE1-CD1 3.89Å; F735-Y739 AromaticContact CE1-CE1 3.67Å; F735-Y739 HydrophobicContact CE1-CE1 3.67Å; F735-Y739 HydrophobicContact CG-CD1 4.22Å; F735-Y739 HydrophobicContact CG-CG 4.46Å; F735-L754 HydrophobicContact CD2-CD2 3.91Å; F735-L754 HydrophobicContact CE2-CD2 4.24Å; F735-A757 HydrophobicContact CE2-CB 4.11Å; F735-A757 HydrophobicContact CZ-CB 3.89Å; F735-W758 WeakPolarHBondContact CE2-O 3.21Å; F735-V760 HydrophobicContact CB-CG2 4.5Å; F735-V760 HydrophobicContact CD1-CG2 3.77Å; F735-V760 HydrophobicContact CD2-CG2 3.83Å; F735-V760 HydrophobicContact CE1-CG2 3.79Å; F735-V760 HydrophobicContact CE2-CG2 3.85Å; F735-V760 HydrophobicContact CG-CG2 3.78Å; F735-V760 HydrophobicContact CZ-CG2 3.81Å
736	P	95.8	Very high	95	Very high	59 Å²	59	36.7 Å²	36.7	38%	0.383	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-50.8	142.1	164	-27.2	35.1	0	0	0	111.9	L513 H738 Y739	L513-P736 HydrophobicContact CD1-CG 4.25Å; P736-H738 PolarHBondContact O-N 2.99Å; P736-Y739 HydrophobicContact CG-CD2 4.47Å; P736-Y739 WeakPolarHBondContact O-CB 3.21Å; P736-Y739 PolarHBondContact O-N 3.24Å
737	V	94.6	Very high	94.9	Very high	60 Å²	60	41.7 Å²	41.7	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	136.7	179.5	-161.8	0	0	0	0	109.5	P727 R731 Y739	P727-V737 HydrophobicContact CB-CG1 3.78Å; R731-V737 HydrophobicContact CG-CG2 4.09Å; V737-Y739 VanDerWaalsContact C-N 3.32Å
738	H	95.9	Very high	94.8	Very high	92 Å²	92	43.8 Å²	43.8	43%	0.426	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	15.2	-172.3	-54.9	-84.3	0	0	0	115.7	R541 E730 P736 T740 D741	R541-H738 PolarHBondContact NH2-O 2.92Å; E730-H738 WeakPolarHBondContact OE2-CA 3.39Å; E730-H738 PolarHBondContact OE2-N 3.18Å; P736-H738 PolarHBondContact O-N 2.99Å; H738-T740 VanDerWaalsContact C-N 3.34Å; H738-T740 PolarHBondContact O-N 2.96Å; H738-D741 HydrophobicContact CB-CB 3.7Å; H738-D741 IonicContact CE1-OD2 2.81Å; H738-D741 IonicContact CG-OD2 3.23Å; H738-D741 IonicContact ND1-OD2 2.63Å; H738-D741 PolarHBondContact ND1-OD2 3.08Å; H738-D741 WeakPolarHBondContact O-CB 3.5Å; H738-D741 PolarHBondContact O-N 3.36Å
739	Y	97.4	Very high	94.6	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.027	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.5	-179.5	-174.6	-94.6	0	0	0	114	I508 L513 V537 R541 H542 E730 F735 P736 V737 D741	I508-Y739 HydrophobicContact CB-CE1 4.05Å; I508-Y739 HydrophobicContact CD1-CD1 4.15Å; I508-Y739 HydrophobicContact CD1-CE1 3.99Å; I508-Y739 HydrophobicContact CG1-CE1 4.02Å; I508-Y739 VanDerWaalsContact O-CE1 3.31Å; I508-Y739 WeakPolarHBondContact O-CE1 3.36Å; I508-Y739 PolarHBondContact O-OH 3.12Å; L513-Y739 HydrophobicContact CD1-CE2 4.1Å; L513-Y739 HydrophobicContact CD2-CD2 4.35Å; L513-Y739 HydrophobicContact CD2-CE2 3.92Å; L513-Y739 HydrophobicContact CG-CE2 4.43Å; V537-Y739 HydrophobicContact CG1-CD1 4.01Å; V537-Y739 HydrophobicContact CG1-CE1 3.67Å; R541-Y739 HydrophobicContact CB-CD2 4.39Å; R541-Y739 HydrophobicContact CB-CE2 3.79Å; R541-Y739 WeakPolarHBondContact CD-O 3.47Å; R541-Y739 HydrophobicContact CG-CD2 3.93Å; R541-Y739 HydrophobicContact CG-CE2 3.77Å; R541-Y739 HydrophobicContact CG-CG 4.39Å; R541-Y739 PolarHBondContact NE-O 2.81Å; H542-Y739 PolarHBondContact NE2-OH 2.83Å; E730-Y739 PolarHBondContact OE1-N 3.25Å; F735-Y739 HydrophobicContact CB-CG 4.4Å; F735-Y739 AromaticContact CD1-CD1 3.42Å; F735-Y739 HydrophobicContact CD1-CD1 3.42Å; F735-Y739 VanDerWaalsContact CD1-CD1 3.42Å; F735-Y739 HydrophobicContact CD1-CD2 4.33Å; F735-Y739 AromaticContact CD1-CE1 3.66Å; F735-Y739 HydrophobicContact CD1-CE1 3.66Å; F735-Y739 AromaticContact CD1-CG 3.79Å; F735-Y739 HydrophobicContact CD1-CG 3.79Å; F735-Y739 AromaticContact CE1-CD1 3.89Å; F735-Y739 HydrophobicContact CE1-CD1 3.89Å; F735-Y739 AromaticContact CE1-CE1 3.67Å; F735-Y739 HydrophobicContact CE1-CE1 3.67Å; F735-Y739 HydrophobicContact CG-CD1 4.22Å; F735-Y739 HydrophobicContact CG-CG 4.46Å; P736-Y739 HydrophobicContact CG-CD2 4.47Å; P736-Y739 WeakPolarHBondContact O-CB 3.21Å; P736-Y739 PolarHBondContact O-N 3.24Å; V737-Y739 VanDerWaalsContact C-N 3.32Å; Y739-D741 VanDerWaalsContact C-N 3.31Å
740	T	96.8	Very high	94.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.2	175.3	67.1	0	0	0	0	113.7	I508 E730 H738 V742 R750 L754	I508-T740 HydrophobicContact CD1-CG2 3.8Å; E730-T740 WeakPolarHBondContact OE1-CA 3.46Å; E730-T740 WeakPolarHBondContact OE1-CB 3.49Å; E730-T740 PolarHBondContact OE1-N 3.28Å; E730-T740 PolarHBondContact OE1-OG1 3.06Å; H738-T740 VanDerWaalsContact C-N 3.34Å; H738-T740 PolarHBondContact O-N 2.96Å; T740-V742 VanDerWaalsContact C-N 3.35Å; T740-V742 PolarHBondContact O-N 2.7Å; T740-R750 WeakPolarHBondContact O-CD 3.43Å; T740-R750 WeakPolarHBondContact O-CG 3.47Å; T740-R750 PolarHBondContact O-NE 3.45Å; T740-R750 PolarHBondContact OG1-NE 2.84Å; T740-L754 HydrophobicContact CG2-CD1 4.48Å; T740-L754 HydrophobicContact CG2-CD2 3.86Å; T740-L754 HydrophobicContact CG2-CG 3.95Å
741	D	95.3	Very high	94.4	Very high	69 Å²	69	45.3 Å²	45.3	37%	0.369	25%	0.249	S	C	.	.			trans	-82	78.6	179.9	-135.4	-26.4	0	0	0	110.4	R541 H738 Y739 R750	R541-D741 PolarHBondContact NH2-O 2.99Å; H738-D741 HydrophobicContact CB-CB 3.7Å; H738-D741 IonicContact CE1-OD2 2.81Å; H738-D741 IonicContact CG-OD2 3.23Å; H738-D741 IonicContact ND1-OD2 2.63Å; H738-D741 PolarHBondContact ND1-OD2 3.08Å; H738-D741 WeakPolarHBondContact O-CB 3.5Å; H738-D741 PolarHBondContact O-N 3.36Å; Y739-D741 VanDerWaalsContact C-N 3.31Å; D741-R750 VanDerWaalsContact CG-CZ 3.47Å; D741-R750 IonicContact OD1-CZ 2.67Å; D741-R750 IonicContact OD1-NH1 2.77Å; D741-R750 PolarHBondContact OD1-NH1 3.29Å; D741-R750 IonicContact OD2-CZ 2.91Å; D741-R750 IonicContact OD2-NH1 2.65Å; D741-R750 PolarHBondContact OD2-NH1 3.43Å; D741-R750 IonicContact OD2-NH2 3.59Å; D741-R750 PolarHBondContact OD2-NH2 2.98Å
742	V	91.9	Very high	94.3	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.079	26%	0.262	C	S	.	.			trans	-139.2	160.1	179.2	-50.6	0	0	0	0	110.7	T536 V537 V540 T740 N744 M745	T536-V742 HydrophobicContact CG2-CG2 3.99Å; V537-V742 HydrophobicContact CB-CG2 4.45Å; V537-V742 HydrophobicContact CG2-CG2 3.64Å; V540-V742 HydrophobicContact CB-CG1 4.06Å; V540-V742 HydrophobicContact CG1-CG1 3.81Å; T740-V742 VanDerWaalsContact C-N 3.35Å; T740-V742 PolarHBondContact O-N 2.7Å; V742-N744 PolarHBondContact O-N 3.08Å; V742-M745 HydrophobicContact CG2-CE 3.61Å; V742-M745 HydrophobicContact CG2-SD 4.31Å; V742-M745 WeakPolarHBondContact O-CG 3.45Å; V742-M745 PolarHBondContact O-N 2.69Å; V742-M745 VanDerWaalsContact O-N 3.14Å
743	S	88.3	Confident	94.3	Very high	76 Å²	76	49 Å²	49	53%	0.531	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	45	30.7	170	66	0	0	0	0	117.3	M745	S743-M745 PolarHBondContact O-N 3.46Å; S743-M745 WeakPolarHBondContact OG-CE 3.21Å
744	N	89.1	Confident	94.3	Very high	171 Å²	171	48.6 Å²	48.6	91%	0.914	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.4	-178.4	-61.5	-21.4	0	0	0	114.3	V742	V742-N744 PolarHBondContact O-N 3.08Å
745	M	92.1	Very high	94.1	Very high	25 Å²	25	47.7 Å²	47.7	12%	0.123	25%	0.252	C	S	.	.			trans	-56.8	139.6	177.5	-73	179.9	-169.8	0	0	113	D533 V537 V742 S743 A749 R750 L753	D533-M745 HydrophobicContact CB-CE 3.65Å; D533-M745 HydrophobicContact CB-SD 4.23Å; D533-M745 VanDerWaalsContact O-CE 3.25Å; D533-M745 WeakPolarHBondContact O-CE 3.31Å; V537-M745 HydrophobicContact CG2-CE 4.08Å; V742-M745 HydrophobicContact CG2-CE 3.61Å; V742-M745 HydrophobicContact CG2-SD 4.31Å; V742-M745 WeakPolarHBondContact O-CG 3.45Å; V742-M745 PolarHBondContact O-N 2.69Å; V742-M745 VanDerWaalsContact O-N 3.14Å; S743-M745 PolarHBondContact O-N 3.46Å; S743-M745 WeakPolarHBondContact OG-CE 3.21Å; M745-A749 HydrophobicContact CB-CB 4.25Å; M745-R750 HydrophobicContact CB-CG 3.91Å; M745-R750 HydrophobicContact SD-CG 4.36Å; M745-L753 HydrophobicContact CE-CD1 4.18Å; M745-L753 HydrophobicContact SD-CD1 3.66Å
746	S	93.4	Very high	94	Very high	74 Å²	74	53.6 Å²	53.6	52%	0.517	27%	0.274	S	S	.	.			trans	-61.9	151.6	171	74.3	0	0	0	0	111.8	L748 A749 R750	S746-L748 PolarHBondContact O-N 3.25Å; S746-L748 VanDerWaalsContact O-N 3.1Å; S746-A749 WeakPolarHBondContact O-CA 3.45Å; S746-A749 WeakPolarHBondContact O-CB 3.44Å; S746-A749 PolarHBondContact O-N 3.44Å; S746-A749 PolarHBondContact OG-N 2.86Å; S746-R750 PolarHBondContact O-N 3.21Å
747	R	92.7	Very high	94	Very high	114 Å²	114	51.2 Å²	51.2	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-50.6	-36.5	174.5	-164	-177.6	72.7	88.8	0.8	112.6	Q751	R747-Q751 WeakPolarHBondContact O-CB 3.48Å; R747-Q751 PolarHBondContact O-N 2.96Å
748	L	92.6	Very high	94.2	Very high	67 Å²	67	49.4 Å²	49.4	35%	0.351	25%	0.246	S	C	.	.	H	α-helix	trans	-73.6	-33.2	178.4	-176.2	61.3	0	0	0	112.8	S746 R752	S746-L748 PolarHBondContact O-N 3.25Å; S746-L748 VanDerWaalsContact O-N 3.1Å; L748-R752 WeakPolarHBondContact O-CB 3.31Å; L748-R752 WeakPolarHBondContact O-CD 3.47Å; L748-R752 WeakPolarHBondContact O-CG 3.3Å; L748-R752 PolarHBondContact O-N 3.34Å
749	A	94.1	Very high	94.3	Very high	12 Å²	12	45.3 Å²	45.3	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-50	172.1	0	0	0	0	0	110.5	M745 S746 Q751 R752 L753	M745-A749 HydrophobicContact CB-CB 4.25Å; S746-A749 WeakPolarHBondContact O-CA 3.45Å; S746-A749 WeakPolarHBondContact O-CB 3.44Å; S746-A749 PolarHBondContact O-N 3.44Å; S746-A749 PolarHBondContact OG-N 2.86Å; A749-Q751 VanDerWaalsContact C-N 3.34Å; A749-Q751 PolarHBondContact O-N 3.15Å; A749-R752 WeakPolarHBondContact O-CA 3.47Å; A749-R752 WeakPolarHBondContact O-CB 3.37Å; A749-R752 PolarHBondContact O-N 3.45Å; A749-L753 PolarHBondContact O-N 3.07Å
750	R	95.1	Very high	94.3	Very high	20 Å²	20	45.2 Å²	45.2	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-56.8	-43.1	174.4	-69.7	180	65.8	-178.5	3.2	112.5	C726 E730 T740 D741 M745 S746 R752 L753 L754	C726-R750 HydrophobicContact CB-CB 4.48Å; E730-R750 IonicContact OE1-CZ 3.75Å; E730-R750 IonicContact OE1-NE 2.69Å; E730-R750 IonicContact OE1-NH2 2.72Å; E730-R750 PolarHBondContact OE1-NH2 2.81Å; E730-R750 IonicContact OE2-NH2 3.51Å; E730-R750 PolarHBondContact OE2-NH2 2.74Å; T740-R750 WeakPolarHBondContact O-CD 3.43Å; T740-R750 WeakPolarHBondContact O-CG 3.47Å; T740-R750 PolarHBondContact O-NE 3.45Å; T740-R750 PolarHBondContact OG1-NE 2.84Å; D741-R750 VanDerWaalsContact CG-CZ 3.47Å; D741-R750 IonicContact OD1-CZ 2.67Å; D741-R750 IonicContact OD1-NH1 2.77Å; D741-R750 PolarHBondContact OD1-NH1 3.29Å; D741-R750 IonicContact OD2-CZ 2.91Å; D741-R750 IonicContact OD2-NH1 2.65Å; D741-R750 PolarHBondContact OD2-NH1 3.43Å; D741-R750 IonicContact OD2-NH2 3.59Å; D741-R750 PolarHBondContact OD2-NH2 2.98Å; M745-R750 HydrophobicContact CB-CG 3.91Å; M745-R750 HydrophobicContact SD-CG 4.36Å; S746-R750 PolarHBondContact O-N 3.21Å; R750-R752 VanDerWaalsContact C-N 3.35Å; R750-R752 PolarHBondContact O-N 3.33Å; R750-L753 PolarHBondContact O-N 2.87Å; R750-L754 WeakPolarHBondContact O-CG 3.32Å; R750-L754 PolarHBondContact O-N 2.97Å
751	Q	93.9	Very high	94.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-43.3	172.1	-179.5	-179.8	-4.9	0	0	112.2	T699 R701 M729 R747 A749 G755	T699-Q751 PolarHBondContact O-NE2 2.82Å; R701-Q751 PolarHBondContact O-NE2 3.36Å; M729-Q751 HydrophobicContact CE-CB 4.44Å; M729-Q751 HydrophobicContact CE-CG 4.06Å; M729-Q751 HydrophobicContact SD-CB 4.48Å; M729-Q751 HydrophobicContact SD-CG 4.27Å; R747-Q751 WeakPolarHBondContact O-CB 3.48Å; R747-Q751 PolarHBondContact O-N 2.96Å; A749-Q751 VanDerWaalsContact C-N 3.34Å; A749-Q751 PolarHBondContact O-N 3.15Å; Q751-G755 PolarHBondContact O-N 3.29Å
752	R	95.1	Very high	94.4	Very high	123 Å²	123	42.6 Å²	42.6	46%	0.464	22%	0.215	S	C	.	.	H	α-helix	trans	-67.1	-33.9	179.4	-75.3	166.1	174.4	-175.5	0.2	113.1	T700 L748 A749 R750 R756	T700-R752 HydrophobicContact CG2-CB 4.49Å; T700-R752 WeakPolarHBondContact O-CG 3.46Å; L748-R752 WeakPolarHBondContact O-CB 3.31Å; L748-R752 WeakPolarHBondContact O-CD 3.47Å; L748-R752 WeakPolarHBondContact O-CG 3.3Å; L748-R752 PolarHBondContact O-N 3.34Å; A749-R752 WeakPolarHBondContact O-CA 3.47Å; A749-R752 WeakPolarHBondContact O-CB 3.37Å; A749-R752 PolarHBondContact O-N 3.45Å; R750-R752 VanDerWaalsContact C-N 3.35Å; R750-R752 PolarHBondContact O-N 3.33Å; R752-R756 WeakPolarHBondContact O-CD 3.38Å; R752-R756 WeakPolarHBondContact O-CG 3.5Å
753	L	96.1	Very high	94.6	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-56.3	173.3	-66.3	-177.1	0	0	0	110.8	I508 D533 S534 V537 M745 A749 R750 G755 R756 A757	I508-L753 HydrophobicContact CG2-CB 3.88Å; I508-L753 HydrophobicContact CG2-CD1 3.9Å; I508-L753 HydrophobicContact CG2-CD2 4.08Å; I508-L753 HydrophobicContact CG2-CG 4.18Å; D533-L753 HydrophobicContact CB-CD1 4.21Å; D533-L753 HydrophobicContact CB-CD2 3.97Å; D533-L753 HydrophobicContact CB-CG 4.44Å; S534-L753 WeakPolarHBondContact OG-CD2 3.3Å; V537-L753 HydrophobicContact CG2-CD1 3.78Å; M745-L753 HydrophobicContact CE-CD1 4.18Å; M745-L753 HydrophobicContact SD-CD1 3.66Å; A749-L753 PolarHBondContact O-N 3.07Å; R750-L753 PolarHBondContact O-N 2.87Å; L753-G755 PolarHBondContact O-N 3.3Å; L753-R756 PolarHBondContact O-N 3.32Å; L753-R756 VanDerWaalsContact O-N 3.08Å; L753-A757 WeakPolarHBondContact O-CB 3.44Å; L753-A757 PolarHBondContact O-N 2.9Å
754	L	95.9	Very high	95.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-48.7	-179.7	-69.6	164	0	0	0	111.3	I508 M729 E730 F733 F735 T740 R750 R756 A757	I508-L754 HydrophobicContact CD1-CD2 4.31Å; M729-L754 HydrophobicContact CB-CD1 3.89Å; M729-L754 HydrophobicContact CE-CB 3.84Å; M729-L754 HydrophobicContact CE-CD1 3.94Å; E730-L754 HydrophobicContact CG-CD1 3.94Å; E730-L754 HydrophobicContact CG-CD2 3.96Å; F733-L754 WeakPolarHBondContact CD1-O 3.27Å; F733-L754 HydrophobicContact CE1-CB 4.48Å; F733-L754 WeakPolarHBondContact CE1-O 3.34Å; F735-L754 HydrophobicContact CD2-CD2 3.91Å; F735-L754 HydrophobicContact CE2-CD2 4.24Å; T740-L754 HydrophobicContact CG2-CD1 4.48Å; T740-L754 HydrophobicContact CG2-CD2 3.86Å; T740-L754 HydrophobicContact CG2-CG 3.95Å; R750-L754 WeakPolarHBondContact O-CG 3.32Å; R750-L754 PolarHBondContact O-N 2.97Å; L754-R756 PolarHBondContact O-N 2.96Å; L754-A757 PolarHBondContact O-N 3.27Å
755	G	93.5	Very high	95.4	Very high	9 Å²	9	32.9 Å²	32.9	9%	0.093	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-1.3	178	0	0	0	0	0	116	Q751 L753	Q751-G755 PolarHBondContact O-N 3.29Å; L753-G755 PolarHBondContact O-N 3.3Å
756	R	94.6	Very high	95.6	Very high	130 Å²	130	31.9 Å²	31.9	49%	0.491	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-55.5	165.2	-67.5	168.4	179.8	169.3	-0.6	110.6	R655 T700 R752 L753 L754	R655-R756 PolarHBondContact NH2-O 2.81Å; T700-R756 HydrophobicContact CG2-CG 3.65Å; R752-R756 WeakPolarHBondContact O-CD 3.38Å; R752-R756 WeakPolarHBondContact O-CG 3.5Å; L753-R756 PolarHBondContact O-N 3.32Å; L753-R756 VanDerWaalsContact O-N 3.08Å; L754-R756 PolarHBondContact O-N 2.96Å
757	A	96.5	Very high	95.8	Very high	8 Å²	8	28.4 Å²	28.4	7%	0.066	12%	0.123	C	C	.	.	S	Bend	trans	-45.9	147.5	-175.5	0	0	0	0	0	113.7	I508 R655 F735 L753 L754	I508-A757 HydrophobicContact CD1-CB 3.47Å; I508-A757 VanDerWaalsContact CD1-CB 3.47Å; I508-A757 HydrophobicContact CG1-CB 3.53Å; R655-A757 PolarHBondContact NH1-O 2.94Å; R655-A757 PolarHBondContact NH2-O 3.3Å; F735-A757 HydrophobicContact CE2-CB 4.11Å; F735-A757 HydrophobicContact CZ-CB 3.89Å; L753-A757 WeakPolarHBondContact O-CB 3.44Å; L753-A757 PolarHBondContact O-N 2.9Å; L754-A757 PolarHBondContact O-N 3.27Å
758	W	97.6	Very high	96	Very high	22 Å²	22	23.1 Å²	23.1	8%	0.083	10%	0.104	C	C	.	.			trans	-66.7	167.1	-178.8	-61.1	-36.2	0	0	0	113.2	T510 I570 E621 F735 I763	T510-W758 HydrophobicContact CG2-CB 4.14Å; I570-W758 HydrophobicContact CB-CH2 4.18Å; I570-W758 HydrophobicContact CD1-CH2 4.4Å; I570-W758 HydrophobicContact CD1-CZ3 4.24Å; I570-W758 HydrophobicContact CG1-CH2 4.41Å; E621-W758 HydrophobicContact CB-CZ2 4.09Å; E621-W758 PolarHBondContact OE2-NE1 3.17Å; F735-W758 WeakPolarHBondContact CE2-O 3.21Å; W758-I763 HydrophobicContact CB-CD1 3.93Å; W758-I763 HydrophobicContact CB-CG1 3.54Å; W758-I763 HydrophobicContact CD2-CD1 3.66Å; W758-I763 HydrophobicContact CD2-CG1 4.01Å; W758-I763 HydrophobicContact CE3-CD1 3.53Å; W758-I763 HydrophobicContact CE3-CG1 3.7Å; W758-I763 HydrophobicContact CE3-CG2 4.35Å; W758-I763 HydrophobicContact CG-CD1 3.87Å; W758-I763 HydrophobicContact CG-CG1 4.01Å; W758-I763 HydrophobicContact CZ3-CD1 4.21Å
759	S	97.5	Very high	96.2	Very high	7 Å²	7	20 Å²	20	5%	0.049	9%	0.088	C	C	.	.			trans	-80.5	120.5	167.1	176.6	0	0	0	0	108.9	F733 V762 I763	F733-S759 WeakPolarHBondContact O-CA 3.41Å; S759-V762 PolarHBondContact O-N 2.85Å; S759-I763 PolarHBondContact O-N 3.28Å; S759-I763 VanDerWaalsContact O-N 3.16Å
760	V	97.6	Very high	96.3	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.024	8%	0.083	C	C	.	.	H	α-helix	trans	-54.8	-52.2	-177.1	180	0	0	0	0	112.5	T510 L513 V514 E517 F733 G734 F735 V762 I763 R764	T510-V760 HydrophobicContact CG2-CG2 4.13Å; L513-V760 HydrophobicContact CD2-CG1 4.46Å; L513-V760 HydrophobicContact CD2-CG2 4.04Å; V514-V760 HydrophobicContact CG2-CG1 3.81Å; E517-V760 VanDerWaalsContact OE2-CG1 3.23Å; E517-V760 WeakPolarHBondContact OE2-CG1 3.32Å; F733-V760 PolarHBondContact O-N 3.35Å; G734-V760 WeakPolarHBondContact O-CB 3.5Å; F735-V760 HydrophobicContact CB-CG2 4.5Å; F735-V760 HydrophobicContact CD1-CG2 3.77Å; F735-V760 HydrophobicContact CD2-CG2 3.83Å; F735-V760 HydrophobicContact CE1-CG2 3.79Å; F735-V760 HydrophobicContact CE2-CG2 3.85Å; F735-V760 HydrophobicContact CG-CG2 3.78Å; F735-V760 HydrophobicContact CZ-CG2 3.81Å; V760-V762 VanDerWaalsContact C-N 3.28Å; V760-V762 PolarHBondContact O-N 3.08Å; V760-I763 PolarHBondContact O-N 2.96Å; V760-R764 WeakPolarHBondContact O-CB 3.4Å; V760-R764 PolarHBondContact O-N 2.71Å
761	P	96.6	Very high	96.3	Very high	10 Å²	10	18.5 Å²	18.5	7%	0.065	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-28.3	-179.2	23.7	-35.8	0	0	0	114.1	V650 H765	V650-P761 HydrophobicContact CB-CB 4Å; V650-P761 HydrophobicContact CB-CG 4.23Å; V650-P761 HydrophobicContact CG2-CB 3.82Å; V650-P761 HydrophobicContact CG2-CG 3.77Å; P761-H765 WeakPolarHBondContact O-CB 3.45Å; P761-H765 PolarHBondContact O-N 2.91Å
762	V	97.3	Very high	96.3	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.03	8%	0.081	C	C	.	.	H	α-helix	trans	-70.2	-44.3	174.6	176.3	0	0	0	0	111	I645 A647 V650 F659 S759 V760 H765 L766	I645-V762 HydrophobicContact CB-CG1 4.44Å; I645-V762 HydrophobicContact CG2-CG1 3.91Å; I645-V762 HydrophobicContact CG2-CG2 4.39Å; A647-V762 HydrophobicContact CB-CG2 3.88Å; V650-V762 HydrophobicContact CG2-CG2 3.79Å; F659-V762 HydrophobicContact CE2-CG1 3.87Å; F659-V762 HydrophobicContact CZ-CG1 3.73Å; S759-V762 PolarHBondContact O-N 2.85Å; V760-V762 VanDerWaalsContact C-N 3.28Å; V760-V762 PolarHBondContact O-N 3.08Å; V762-H765 WeakPolarHBondContact O-CB 3.45Å; V762-H765 PolarHBondContact O-N 3.22Å; V762-L766 HydrophobicContact CG1-CD1 4.21Å; V762-L766 WeakPolarHBondContact O-CG 3.44Å; V762-L766 PolarHBondContact O-N 2.82Å; V762-L766 VanDerWaalsContact O-N 3.08Å
763	I	98.1	Very high	96.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.4	-36.1	176.7	-57.5	-63.7	0	0	0	110.6	V514 L619 F659 W758 S759 V760 H765 L766 F767	V514-I763 HydrophobicContact CB-CG2 4.12Å; V514-I763 HydrophobicContact CG1-CG2 4.12Å; V514-I763 HydrophobicContact CG2-CB 4.07Å; V514-I763 HydrophobicContact CG2-CG2 3.99Å; L619-I763 HydrophobicContact CD2-CD1 4.38Å; F659-I763 HydrophobicContact CE1-CD1 3.9Å; F659-I763 HydrophobicContact CZ-CD1 4.46Å; W758-I763 HydrophobicContact CB-CD1 3.93Å; W758-I763 HydrophobicContact CB-CG1 3.54Å; W758-I763 HydrophobicContact CD2-CD1 3.66Å; W758-I763 HydrophobicContact CD2-CG1 4.01Å; W758-I763 HydrophobicContact CE3-CD1 3.53Å; W758-I763 HydrophobicContact CE3-CG1 3.7Å; W758-I763 HydrophobicContact CE3-CG2 4.35Å; W758-I763 HydrophobicContact CG-CD1 3.87Å; W758-I763 HydrophobicContact CG-CG1 4.01Å; W758-I763 HydrophobicContact CZ3-CD1 4.21Å; S759-I763 PolarHBondContact O-N 3.28Å; S759-I763 VanDerWaalsContact O-N 3.16Å; V760-I763 PolarHBondContact O-N 2.96Å; I763-H765 PolarHBondContact O-N 3.28Å; I763-L766 HydrophobicContact CD1-CD1 4.31Å; I763-L766 PolarHBondContact O-N 2.83Å; I763-F767 HydrophobicContact CG2-CD1 4.25Å; I763-F767 HydrophobicContact CG2-CD2 3.88Å; I763-F767 HydrophobicContact CG2-CE1 4.08Å; I763-F767 HydrophobicContact CG2-CE2 3.7Å; I763-F767 HydrophobicContact CG2-CG 4.15Å; I763-F767 HydrophobicContact CG2-CZ 3.78Å; I763-F767 WeakPolarHBondContact O-CB 3.42Å; I763-F767 PolarHBondContact O-N 2.81Å
764	R	96.8	Very high	96.4	Very high	42 Å²	42	13.5 Å²	13.5	16%	0.158	6%	0.061	C	C	.	.	H	α-helix	trans	-58	-45.9	170.8	-174.2	-174	62.4	178.5	-7.5	111.6	V514 L518 S675 D676 V760 L766 F767 A768	V514-R764 VanDerWaalsContact CG1-CA 3.43Å; V514-R764 HydrophobicContact CG1-CB 4Å; L518-R764 HydrophobicContact CD2-CG 3.86Å; L518-R764 HydrophobicContact CG-CG 4.24Å; S675-R764 PolarHBondContact OG-NH1 3.43Å; S675-R764 VanDerWaalsContact OG-NH1 3.14Å; D676-R764 IonicContact OD1-CZ 2.84Å; D676-R764 IonicContact OD1-NH1 3.71Å; D676-R764 IonicContact OD1-NH2 2.63Å; D676-R764 PolarHBondContact OD1-NH2 3.41Å; D676-R764 IonicContact OD2-NH2 3.75Å; D676-R764 PolarHBondContact OD2-NH2 2.9Å; V760-R764 WeakPolarHBondContact O-CB 3.4Å; V760-R764 PolarHBondContact O-N 2.71Å; R764-L766 VanDerWaalsContact C-N 3.34Å; R764-L766 PolarHBondContact O-N 2.64Å; R764-F767 PolarHBondContact O-N 3Å; R764-A768 VanDerWaalsContact O-CB 3.28Å; R764-A768 WeakPolarHBondContact O-CB 3.26Å; R764-A768 PolarHBondContact O-N 3.2Å
765	H	96.1	Very high	96.4	Very high	14 Å²	14	13.6 Å²	13.6	7%	0.065	6%	0.062	C	C	.	.	H	α-helix	trans	-59.3	-42.8	174.9	168.3	99.5	0	0	0	112.6	R668 P669 L670 P761 V762 I763	R668-H765 VanDerWaalsContact CG-CE1 3.47Å; R668-H765 WeakPolarHBondContact CG-CE1 3.31Å; R668-H765 VanDerWaalsContact CZ-CE1 3.45Å; R668-H765 PolarHBondContact NE-CE1 3.41Å; R668-H765 VanDerWaalsContact NE-CE1 3.33Å; R668-H765 PolarHBondContact NH2-ND1 3.13Å; R668-H765 PolarHBondContact NH2-O 2.9Å; P669-H765 PolarHBondContact O-CE1 2.81Å; L670-H765 HydrophobicContact CD1-CB 3.78Å; L670-H765 VanDerWaalsContact CD1-CG 3.5Å; L670-H765 WeakPolarHBondContact CD1-ND1 3.48Å; P761-H765 WeakPolarHBondContact O-CB 3.45Å; P761-H765 PolarHBondContact O-N 2.91Å; V762-H765 WeakPolarHBondContact O-CB 3.45Å; V762-H765 PolarHBondContact O-N 3.22Å; I763-H765 PolarHBondContact O-N 3.28Å
766	L	97.2	Very high	96.3	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	-72.2	-37.2	-179.5	-70.9	167.2	0	0	0	113	L619 I645 F659 L663 M666 V762 I763 R764 P769	L619-L766 HydrophobicContact CD1-CD1 4.48Å; L619-L766 HydrophobicContact CD2-CD1 4.08Å; I645-L766 HydrophobicContact CD1-CD1 4.45Å; I645-L766 HydrophobicContact CD1-CD2 3.95Å; I645-L766 HydrophobicContact CD1-CG 4.38Å; F659-L766 HydrophobicContact CD1-CD1 3.68Å; F659-L766 HydrophobicContact CD2-CD1 4.35Å; F659-L766 HydrophobicContact CE1-CD1 3.74Å; F659-L766 HydrophobicContact CE2-CD1 4.41Å; F659-L766 HydrophobicContact CG-CD1 3.99Å; F659-L766 HydrophobicContact CZ-CD1 4.12Å; L663-L766 HydrophobicContact CD1-CB 4.13Å; M666-L766 HydrophobicContact CB-CD2 4.22Å; M666-L766 HydrophobicContact CE-CD2 4.35Å; M666-L766 HydrophobicContact CG-CD2 3.83Å; V762-L766 HydrophobicContact CG1-CD1 4.21Å; V762-L766 WeakPolarHBondContact O-CG 3.44Å; V762-L766 PolarHBondContact O-N 2.82Å; V762-L766 VanDerWaalsContact O-N 3.08Å; I763-L766 HydrophobicContact CD1-CD1 4.31Å; I763-L766 PolarHBondContact O-N 2.83Å; R764-L766 VanDerWaalsContact C-N 3.34Å; R764-L766 PolarHBondContact O-N 2.64Å; L766-P769 WeakPolarHBondContact O-CD 3.43Å
767	F	98.1	Very high	95.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-86.3	-20	-178.8	-73.6	5.1	0	0	0	113.7	V514 L515 L518 L568 I570 L619 L663 I763 R764 P769 L770	V514-F767 HydrophobicContact CB-CD2 4.27Å; V514-F767 HydrophobicContact CG1-CB 4.1Å; V514-F767 HydrophobicContact CG1-CD2 3.77Å; V514-F767 HydrophobicContact CG1-CG 4.28Å; L515-F767 HydrophobicContact CD2-CD2 3.84Å; L515-F767 HydrophobicContact CD2-CE2 4.33Å; L515-F767 HydrophobicContact CG-CD2 3.94Å; L515-F767 HydrophobicContact CG-CE2 4.1Å; L518-F767 HydrophobicContact CD1-CB 3.52Å; L568-F767 HydrophobicContact CD2-CZ 4.32Å; I570-F767 HydrophobicContact CD1-CE2 4.48Å; I570-F767 HydrophobicContact CD1-CZ 3.97Å; I570-F767 HydrophobicContact CG2-CE1 4.29Å; I570-F767 HydrophobicContact CG2-CZ 4.03Å; L619-F767 HydrophobicContact CD2-CE1 3.85Å; L663-F767 HydrophobicContact CD1-CD1 4Å; L663-F767 HydrophobicContact CD1-CE1 4.2Å; I763-F767 HydrophobicContact CG2-CD1 4.25Å; I763-F767 HydrophobicContact CG2-CD2 3.88Å; I763-F767 HydrophobicContact CG2-CE1 4.08Å; I763-F767 HydrophobicContact CG2-CE2 3.7Å; I763-F767 HydrophobicContact CG2-CG 4.15Å; I763-F767 HydrophobicContact CG2-CZ 3.78Å; I763-F767 WeakPolarHBondContact O-CB 3.42Å; I763-F767 PolarHBondContact O-N 2.81Å; R764-F767 PolarHBondContact O-N 3Å; F767-P769 VanDerWaalsContact C-N 3.32Å; F767-P769 VanDerWaalsContact O-N 3.17Å; F767-L770 HydrophobicContact CB-CD1 4.05Å; F767-L770 HydrophobicContact CD1-CD1 4.17Å; F767-L770 HydrophobicContact CG-CD1 4.07Å; F767-L770 WeakPolarHBondContact O-CB 3.4Å; F767-L770 WeakPolarHBondContact O-CG 3.35Å; F767-L770 PolarHBondContact O-N 3.34Å
768	A	96.4	Very high	95.6	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.025	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-49.2	-39.7	-179.2	0	0	0	0	0	115.2	Y391 Y393 L518 R764 L770 K771	Y391-A768 WeakPolarHBondContact O-CB 3.45Å; Y393-A768 HydrophobicContact CD2-CB 4.04Å; Y393-A768 HydrophobicContact CE2-CB 3.94Å; Y393-A768 WeakPolarHBondContact CE2-O 3.32Å; L518-A768 HydrophobicContact CD2-CB 4.08Å; R764-A768 VanDerWaalsContact O-CB 3.28Å; R764-A768 WeakPolarHBondContact O-CB 3.26Å; R764-A768 PolarHBondContact O-N 3.2Å; A768-L770 PolarHBondContact O-N 3Å; A768-K771 WeakPolarHBondContact O-CG 3.5Å; A768-K771 PolarHBondContact O-N 3.25Å
769	P	95.1	Very high	95.5	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-64.3	-20	176.5	-21.1	34	0	0	0	114.6	Y391 P664 L766 F767 K771 D772 Y773	Y391-P769 HydrophobicContact CD1-CB 4.17Å; Y391-P769 HydrophobicContact CD1-CG 4.39Å; Y391-P769 HydrophobicContact CD2-CB 4.15Å; Y391-P769 HydrophobicContact CD2-CG 3.77Å; Y391-P769 HydrophobicContact CE1-CB 4.13Å; Y391-P769 HydrophobicContact CE2-CB 4.1Å; Y391-P769 HydrophobicContact CE2-CG 4.12Å; Y391-P769 HydrophobicContact CG-CB 4.18Å; Y391-P769 HydrophobicContact CG-CG 3.91Å; P664-P769 HydrophobicContact CB-CB 4.05Å; P664-P769 HydrophobicContact CG-CB 4.35Å; P664-P769 VanDerWaalsContact O-CG 3.28Å; P664-P769 WeakPolarHBondContact O-CG 3.37Å; L766-P769 WeakPolarHBondContact O-CD 3.43Å; F767-P769 VanDerWaalsContact C-N 3.32Å; F767-P769 VanDerWaalsContact O-N 3.17Å; P769-K771 PolarHBondContact O-N 2.79Å; P769-D772 PolarHBondContact O-N 2.94Å; P769-D772 VanDerWaalsContact O-N 3.08Å; P769-Y773 WeakPolarHBondContact O-CD2 3.47Å
770	L	96.8	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-63.7	-20.2	178.1	-61.9	174.1	0	0	0	112.6	I499 L515 I520 L568 F617 L663 F767 A768 D772 Y773 F774	I499-L770 HydrophobicContact CD1-CD1 4.25Å; L515-L770 HydrophobicContact CD2-CD1 4.46Å; I520-L770 HydrophobicContact CD1-CB 3.88Å; L568-L770 HydrophobicContact CD2-CD1 4.03Å; F617-L770 HydrophobicContact CB-CD2 4.33Å; F617-L770 HydrophobicContact CD1-CD2 4.45Å; F617-L770 HydrophobicContact CD2-CD2 3.58Å; F617-L770 HydrophobicContact CE2-CD2 3.96Å; F617-L770 HydrophobicContact CG-CD2 3.85Å; L663-L770 HydrophobicContact CD2-CD1 4.16Å; L663-L770 HydrophobicContact CD2-CD2 3.73Å; L663-L770 HydrophobicContact CD2-CG 4.14Å; F767-L770 HydrophobicContact CB-CD1 4.05Å; F767-L770 HydrophobicContact CD1-CD1 4.17Å; F767-L770 HydrophobicContact CG-CD1 4.07Å; F767-L770 WeakPolarHBondContact O-CB 3.4Å; F767-L770 WeakPolarHBondContact O-CG 3.35Å; F767-L770 PolarHBondContact O-N 3.34Å; A768-L770 PolarHBondContact O-N 3Å; L770-D772 PolarHBondContact O-N 2.74Å; L770-D772 VanDerWaalsContact O-N 3.15Å; L770-Y773 PolarHBondContact O-N 3.34Å; L770-F774 HydrophobicContact CB-CD2 4.18Å; L770-F774 HydrophobicContact CD2-CD2 4.46Å; L770-F774 HydrophobicContact CD2-CE2 4.07Å; L770-F774 PolarHBondContact O-N 2.97Å; L770-F774 VanDerWaalsContact O-N 3.09Å
771	K	95.6	Very high	95.3	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.009	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-61.3	-16.4	172.3	-62.4	-159	73.2	164.7	0	113.7	Y393 G397 C420 R496 L518 I520 A768 P769 C776	Y393-K771 HydrophobicContact CD1-CD 3.96Å; Y393-K771 HydrophobicContact CD2-CD 4.1Å; Y393-K771 HydrophobicContact CE1-CB 4.43Å; Y393-K771 HydrophobicContact CE1-CD 3.9Å; Y393-K771 HydrophobicContact CE2-CB 4.49Å; Y393-K771 HydrophobicContact CE2-CD 4.04Å; Y393-K771 HydrophobicContact CE2-CG 4.41Å; Y393-K771 HydrophobicContact CG-CD 4.08Å; G397-K771 PolarHBondContact O-NZ 3.3Å; C420-K771 WeakPolarHBondContact SG-CE 3.39Å; C420-K771 PolarHBondContact SG-NZ 3.1Å; R496-K771 PolarHBondContact NH1-O 3.21Å; L518-K771 HydrophobicContact CB-CD 4.42Å; L518-K771 VanDerWaalsContact O-CD 3.27Å; L518-K771 WeakPolarHBondContact O-CD 3.44Å; L518-K771 WeakPolarHBondContact O-CE 3.38Å; L518-K771 PolarHBondContact O-NZ 2.62Å; I520-K771 HydrophobicContact CD1-CG 3.92Å; I520-K771 HydrophobicContact CG1-CG 3.8Å; A768-K771 WeakPolarHBondContact O-CG 3.5Å; A768-K771 PolarHBondContact O-N 3.25Å; P769-K771 PolarHBondContact O-N 2.79Å; K771-C776 WeakPolarHBondContact CE-SG 3.3Å
772	D	93.4	Very high	95.2	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-88.1	-0.4	173.2	-99.2	-36.4	0	0	0	114.6	R421 P490 V491 R496 P769 L770	R421-D772 IonicContact CZ-OD1 2.69Å; R421-D772 IonicContact CZ-OD2 3.96Å; R421-D772 IonicContact NE-OD1 3.03Å; R421-D772 IonicContact NH2-OD1 2.99Å; R421-D772 PolarHBondContact NH2-OD1 3.09Å; R421-D772 IonicContact NH2-OD2 3.67Å; R421-D772 PolarHBondContact NH2-OD2 2.89Å; P490-D772 HydrophobicContact CB-CB 4.37Å; V491-D772 PolarHBondContact N-O 3.24Å; R496-D772 IonicContact CZ-OD1 2.78Å; R496-D772 IonicContact NH1-OD1 3.3Å; R496-D772 VanDerWaalsContact NH2-CA 3.35Å; R496-D772 PolarHBondContact NH2-O 3.41Å; R496-D772 IonicContact NH2-OD1 3.49Å; R496-D772 PolarHBondContact NH2-OD1 3.37Å; P769-D772 PolarHBondContact O-N 2.94Å; P769-D772 VanDerWaalsContact O-N 3.08Å; L770-D772 PolarHBondContact O-N 2.74Å; L770-D772 VanDerWaalsContact O-N 3.15Å
773	Y	95.6	Very high	95	Very high	6 Å²	6	17.3 Å²	17.3	2%	0.024	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-34.7	-176.6	-60.1	-96.9	0	0	0	113	Y488 P489 V491 P615 F617 P664 P769 L770	Y488-Y773 WeakPolarHBondContact O-CE1 3.43Å; Y488-Y773 PolarHBondContact O-OH 3.48Å; P489-Y773 WeakPolarHBondContact O-CE1 3.38Å; V491-Y773 HydrophobicContact CG2-CD1 4.14Å; P615-Y773 HydrophobicContact CB-CD1 4.06Å; P615-Y773 HydrophobicContact CG-CD1 4.14Å; F617-Y773 HydrophobicContact CE2-CD1 4Å; F617-Y773 HydrophobicContact CE2-CD2 4.42Å; F617-Y773 AromaticContact CE2-CG 3.96Å; F617-Y773 HydrophobicContact CE2-CG 3.96Å; F617-Y773 AromaticContact CZ-CD1 3.74Å; F617-Y773 HydrophobicContact CZ-CD1 3.74Å; F617-Y773 HydrophobicContact CZ-CD2 4.21Å; F617-Y773 AromaticContact CZ-CE1 3.79Å; F617-Y773 HydrophobicContact CZ-CE1 3.79Å; F617-Y773 HydrophobicContact CZ-CE2 4.29Å; F617-Y773 AromaticContact CZ-CG 3.96Å; F617-Y773 HydrophobicContact CZ-CG 3.96Å; P664-Y773 HydrophobicContact CG-CE2 3.74Å; P769-Y773 WeakPolarHBondContact O-CD2 3.47Å; L770-Y773 PolarHBondContact O-N 3.34Å
774	F	97.3	Very high	94.8	Very high	12 Å²	12	18.6 Å²	18.6	5%	0.053	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-114.8	160.8	-173	-59.1	-76.7	0	0	0	112.9	R497 I499 I520 D567 F617 L770	R497-F774 CarbonylContact O-C 2.99Å; R497-F774 WeakPolarHBondContact O-CA 3.24Å; R497-F774 WeakPolarHBondContact O-CB 3.5Å; I499-F774 HydrophobicContact CB-CB 4.14Å; I499-F774 HydrophobicContact CB-CD1 3.74Å; I499-F774 HydrophobicContact CB-CD2 4.3Å; I499-F774 HydrophobicContact CB-CE1 4.28Å; I499-F774 HydrophobicContact CB-CG 3.76Å; I499-F774 HydrophobicContact CD1-CD1 4.39Å; I499-F774 HydrophobicContact CD1-CD2 3.64Å; I499-F774 HydrophobicContact CD1-CE1 4.44Å; I499-F774 HydrophobicContact CD1-CE2 3.7Å; I499-F774 HydrophobicContact CD1-CG 4.02Å; I499-F774 HydrophobicContact CD1-CZ 4.12Å; I499-F774 HydrophobicContact CG1-CD1 3.81Å; I499-F774 HydrophobicContact CG1-CD2 3.99Å; I499-F774 HydrophobicContact CG1-CE1 3.85Å; I499-F774 HydrophobicContact CG1-CE2 4.03Å; I499-F774 HydrophobicContact CG1-CG 3.89Å; I499-F774 HydrophobicContact CG1-CZ 3.97Å; I520-F774 HydrophobicContact CG2-CB 4.11Å; D567-F774 HydrophobicContact CB-CE1 3.57Å; D567-F774 HydrophobicContact CB-CZ 3.68Å; F617-F774 AromaticContact CD2-CE2 3.83Å; F617-F774 HydrophobicContact CD2-CE2 3.83Å; F617-F774 HydrophobicContact CD2-CZ 4.1Å; F617-F774 AromaticContact CE2-CE2 3.81Å; F617-F774 HydrophobicContact CE2-CE2 3.81Å; F617-F774 HydrophobicContact CE2-CZ 4.14Å; L770-F774 HydrophobicContact CB-CD2 4.18Å; L770-F774 HydrophobicContact CD2-CD2 4.46Å; L770-F774 HydrophobicContact CD2-CE2 4.07Å; L770-F774 PolarHBondContact O-N 2.97Å; L770-F774 VanDerWaalsContact O-N 3.09Å
775	A	96.2	Very high	94.7	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.025	10%	0.098	C	C	.	.			trans	-64.9	145.9	-179.8	0	0	0	0	0	111	N418 R497 P498 Q521	N418-A775 VanDerWaalsContact OD1-CA 3.24Å; N418-A775 WeakPolarHBondContact OD1-CA 3.44Å; N418-A775 WeakPolarHBondContact OD1-CB 3.34Å; R497-A775 VanDerWaalsContact C-CB 3.47Å; R497-A775 PolarHBondContact O-N 2.96Å; P498-A775 HydrophobicContact CG-CB 4.29Å; Q521-A775 HydrophobicContact CB-CB 4.16Å; Q521-A775 HydrophobicContact CG-CB 4.19Å; Q521-A775 PolarHBondContact N-O 3.41Å
776	C	92.1	Very high	94.5	Very high	4 Å²	4	17 Å²	17	3%	0.027	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-118.3	150.4	179.6	-62.4	0	0	0	0	110.2	N418 G519 Q521 K771	N418-C776 PolarHBondContact OD1-N 3Å; N418-C776 PolarHBondContact OD1-O 2.88Å; G519-C776 CarbonylContact O-C 3.59Å; G519-C776 VanDerWaalsContact O-CA 3.22Å; G519-C776 WeakPolarHBondContact O-CA 3.32Å; Q521-C776 PolarHBondContact NE2-O 2.85Å; K771-C776 WeakPolarHBondContact CE-SG 3.3Å
777	V	80.6	Confident	94.3	Very high	165 Å²	165	18.2 Å²	18.2	100%	1	11%	0.108	S	C	*	.			trans	-72.9	0	170.5	-175.7	0	0	0	0	109.2	G519 Q521	G519-V777 PolarHBondContact O-N 3.5Å; Q521-V777 HydrophobicContact CG-CG2 3.83Å

Retrieved 777 of 777 residues in 1187.4 ms (Link to these results)

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