A0A087YFC7_POEFO Loading...

Twinkle mtDNA helicase

Mitochondrial helicase involved in mtDNA replication and repair. Might have a role in mtDNA repair. Has DNA strand separation activity needed to form a processive replication fork for leading strand synthesis which is catalyzed by the formation of a replisome complex with POLG and mtSDB. Preferentially unwinds DNA substrates with pre-existing 5'-and 3'- single-stranded tails but is also active on a 5'- flap substrate. Can dissociate the invading strand of immobile or mobile D-loop DNA structures irrespective of the single strand polarity of the third strand. In addition to its DNA strand separation activity, also has DNA strand annealing, DNA strand-exchange and DNA branch migration activities.

AlphaFold DB , UniProt , Accession A0A087YFC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 721 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	27.3	Very low	237 Å²	237	160.1 Å²	160.1	100%	1.167	84%	0.839	S	S	*	*				0	79.7	0	-63.8	175.9	-175.1	0	0	107
2	W	22.9	Very low	27	Very low	236 Å²	236	157.2 Å²	157.2	89%	0.894	84%	0.839	S	S	*	*				63.7	117.8	55.1	-83.5	64	0	0	0	116
3	R	26.4	Very low	27	Very low	230 Å²	230	157.4 Å²	157.4	87%	0.868	84%	0.839	S	S	*	*			trans	83.6	123.4	165.8	-59.8	-177.5	175.6	-135	0.4	116.9
4	G	26.5	Very low	26.8	Very low	63 Å²	63	158.4 Å²	158.4	65%	0.649	84%	0.843	S	S	*	*			cis	101.2	131.5	3.3	0	0	0	0	0	114.3
5	L	28.4	Very low	26.5	Very low	158 Å²	158	159.3 Å²	159.3	83%	0.827	84%	0.84	S	S	*	*			trans	78.9	140.6	144.3	-73.8	137.3	0	0	0	116.8
6	L	27.7	Very low	26.5	Very low	135 Å²	135	157.3 Å²	157.3	71%	0.707	84%	0.836	S	S	*	*			cis	-168	145.6	17.9	-89.7	145.6	0	0	0	106.9
7	L	29	Very low	26.2	Very low	142 Å²	142	154.5 Å²	154.5	74%	0.743	83%	0.833	S	S	*	*				106.1	119.4	57.7	-148.1	174.4	0	0	0	112.3
8	K	26.1	Very low	26.2	Very low	203 Å²	203	150.9 Å²	150.9	88%	0.883	83%	0.828	S	S	*	*			trans	164.4	108.6	142.2	-92.3	175.4	-178.6	-176.8	0	108
9	G	25.5	Very low	26	Very low	71 Å²	71	152.4 Å²	152.4	73%	0.732	83%	0.828	S	S	*	*				87.8	104.4	79.8	0	0	0	0	0	108.8
10	T	25.9	Very low	25.9	Very low	148 Å²	148	149.7 Å²	149.7	91%	0.908	82%	0.821	S	S	*	*				-162.4	154.4	89.3	29.4	0	0	0	0	113.5
11	T	24.9	Very low	25.9	Very low	138 Å²	138	152.7 Å²	152.7	85%	0.847	83%	0.826	S	S	*	*			trans	-69.1	143.9	-178.8	43.4	0	0	0	0	115.8
12	C	24	Very low	25.2	Very low	125 Å²	125	149.4 Å²	149.4	85%	0.845	81%	0.812	S	S	*	*			trans	-158.9	120.1	135.7	-159.3	0	0	0	0	111
13	L	26.2	Very low	25.3	Very low	160 Å²	160	146.9 Å²	146.9	84%	0.838	81%	0.81	S	S	*	*			trans	-94.6	140.9	174.1	-87.5	156.3	0	0	0	108.8
14	L	24.6	Very low	25.2	Very low	171 Å²	171	145.3 Å²	145.3	90%	0.895	81%	0.813	S	S	*	*			trans	-139.2	104	158.7	-96.9	162.6	0	0	0	109.7
15	Q	23.1	Very low	25.1	Very low	172 Å²	172	152.5 Å²	152.5	80%	0.804	82%	0.82	S	S	*	*			trans	-119.9	128.9	158.4	-110	-169.5	-67.1	0	0	108.4
16	V	25.4	Very low	24.9	Very low	127 Å²	127	153.2 Å²	153.2	77%	0.77	82%	0.819	S	S	*	*			trans	54.6	122.7	137.9	-172.4	0	0	0	0	119.6
17	S	22.2	Very low	24.7	Very low	111 Å²	111	151.8 Å²	151.8	78%	0.776	83%	0.827	S	S	*	*			trans	-158.8	130.3	130.3	58.4	0	0	0	0	112.4
18	A	25	Very low	24.5	Very low	90 Å²	90	150.6 Å²	150.6	74%	0.744	83%	0.831	S	S	*	*			trans	-65.5	159.4	162	0	0	0	0	0	112.1
19	Q	23.9	Very low	24.5	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	83%	0.826	S	S	*	*			trans	-158.4	104.9	154.3	-100	173.9	9.5	0	0	107
20	S	24.2	Very low	24.5	Very low	98 Å²	98	151.9 Å²	151.9	69%	0.685	83%	0.833	S	S	*	*				78.1	108.9	82.6	70.6	0	0	0	0	113.4
21	F	24	Very low	24.4	Very low	212 Å²	212	150.2 Å²	150.2	93%	0.93	83%	0.826	S	S	*	*			trans	-43.3	136.4	159.2	-83.6	-104.6	0	0	0	112.5
22	L	23.2	Very low	24.4	Very low	168 Å²	168	153.3 Å²	153.3	88%	0.88	83%	0.828	S	S	*	*			trans	-127.2	123.3	156.1	-92.9	166.9	0	0	0	109.7
23	H	25	Very low	24.4	Very low	183 Å²	183	158 Å²	158	85%	0.847	83%	0.828	S	S	*	*			trans	-60.8	142	163.1	-99.8	-16.9	0	0	0	111.1
24	Q	24.6	Very low	24.3	Very low	197 Å²	197	157.5 Å²	157.5	92%	0.921	83%	0.825	S	S	*	*			trans	-143.1	145.2	138.4	-129.4	175.8	3.6	0	0	112.6
25	R	24.1	Very low	24.3	Very low	214 Å²	214	156.4 Å²	156.4	81%	0.808	82%	0.82	S	S	*	*			trans	-83.7	159.6	-156.3	-85.4	167.4	168.9	179.5	-0.9	115.9
26	H	24.5	Very low	24.4	Very low	173 Å²	173	155.4 Å²	155.4	80%	0.801	83%	0.825	S	S	*	*			trans	48.5	120.6	140.1	-66.5	-63.7	0	0	0	120.7
27	A	24.4	Very low	24.4	Very low	106 Å²	106	157.7 Å²	157.7	88%	0.876	83%	0.827	S	S	*	*				-167	140.3	117	0	0	0	0	0	111.5
28	S	24.3	Very low	24.4	Very low	117 Å²	117	163.5 Å²	163.5	82%	0.818	83%	0.832	S	S	*	*			trans	-101.8	144.1	178.1	49.8	0	0	0	0	111.6
29	S	26	Very low	24.4	Very low	113 Å²	113	163.9 Å²	163.9	79%	0.79	83%	0.829	S	S	*	*			trans	-168.2	109.1	148.7	52.5	0	0	0	0	108.9
30	Q	25.1	Very low	24.4	Very low	187 Å²	187	160.2 Å²	160.2	87%	0.874	82%	0.819	S	S	*	*				67.6	114.8	95.6	-77.7	-169.5	-6.6	0	0	116.1
31	C	23.9	Very low	24.4	Very low	113 Å²	113	163.1 Å²	163.1	76%	0.764	82%	0.822	S	S	*	*			trans	32.8	132	134.5	-64.1	0	0	0	0	120.1
32	F	24	Very low	24.4	Very low	203 Å²	203	161.8 Å²	161.8	89%	0.89	82%	0.815	S	S	*	*				-167.5	139.9	105.7	-113.2	-84.2	0	0	0	112.4
33	R	24.9	Very low	24.3	Very low	225 Å²	225	161 Å²	161	85%	0.849	81%	0.811	S	S	*	*			trans	-71.6	159.6	166.9	-72.2	175.1	169.4	177.4	-3.7	110.9
34	L	23.9	Very low	24.2	Very low	148 Å²	148	162.1 Å²	162.1	78%	0.775	81%	0.808	S	S	*	*				174.4	107.6	129.7	-90.8	150.3	0	0	0	107.8
35	L	24.8	Very low	24.1	Very low	149 Å²	149	159 Å²	159	78%	0.78	79%	0.793	S	S	*	*				42	120.5	96.8	-75	167.8	0	0	0	114.3
36	T	25.4	Very low	24	Very low	150 Å²	150	154.6 Å²	154.6	92%	0.92	79%	0.791	S	S	*	*				-174.6	154.6	103.2	29.2	0	0	0	0	112.8
37	H	24.3	Very low	23.9	Very low	175 Å²	175	151 Å²	151	81%	0.81	79%	0.785	S	S	*	*			trans	-90.6	156.7	-169.6	-140.7	-91.6	0	0	0	112.2
38	R	24	Very low	23.8	Very low	233 Å²	233	151.7 Å²	151.7	88%	0.879	78%	0.782	S	S	*	*			trans	149.3	117.2	137.2	-87.3	178.2	170.1	-165.3	-3	109.7
39	S	23.5	Very low	23.7	Very low	98 Å²	98	153.9 Å²	153.9	69%	0.685	78%	0.783	S	S	*	*				59.4	137.2	69.6	-138.4	0	0	0	0	111.5
40	V	25	Very low	23.8	Very low	103 Å²	103	154 Å²	154	62%	0.624	78%	0.781	S	S	*	*			cis	-167.7	152	30.4	-158.3	0	0	0	0	107.5
41	H	23.9	Very low	23.6	Very low	159 Å²	159	156 Å²	156	74%	0.736	78%	0.78	S	S	*	*				130.2	121.3	112.1	-92.7	-58.5	0	0	0	107.7
42	K	23.4	Very low	23.5	Very low	183 Å²	183	157.8 Å²	157.8	80%	0.796	78%	0.781	S	S	*	*			cis	85.3	113.6	49.4	-152.5	-175.4	-164.1	-176.8	0	113.6
43	L	22.4	Very low	23.4	Very low	152 Å²	152	158.9 Å²	158.9	80%	0.796	78%	0.78	S	S	*	*			trans	157.5	118.1	136.7	-99.7	110	0	0	0	109.5
44	R	21.4	Very low	23.2	Very low	207 Å²	207	153.2 Å²	153.2	78%	0.781	77%	0.774	S	S	*	*				56.3	129.8	85.6	-90.7	-169.9	169.8	-153.6	8.5	112.4
45	E	23.3	Very low	23.3	Very low	130 Å²	130	152 Å²	152	61%	0.607	77%	0.774	S	S	*	*			cis	-173.7	156.4	37.7	-119.2	164.1	-157.6	0	0	110.1
46	T	22.1	Very low	23	Very low	123 Å²	123	152.4 Å²	152.4	76%	0.755	78%	0.776	S	S	*	*			trans	58.1	150.9	147.8	59.9	0	0	0	0	120.5
47	S	22.2	Very low	23.1	Very low	97 Å²	97	151.4 Å²	151.4	68%	0.678	77%	0.77	S	S	*	*			cis	-177.1	164.8	-9.9	47.8	0	0	0	0	106.5
48	C	21.9	Very low	22.9	Very low	120 Å²	120	152.6 Å²	152.6	81%	0.811	77%	0.773	S	S	*	*			trans	94.5	112.3	158.5	-57.5	0	0	0	0	119
49	I	22.7	Very low	22.9	Very low	163 Å²	163	149.6 Å²	149.6	84%	0.836	77%	0.769	S	S	*	*			trans	-88.6	144.5	162.3	-62.1	165.1	0	0	0	107.8
50	P	27.1	Very low	22.9	Very low	115 Å²	115	149.7 Å²	149.7	75%	0.747	77%	0.77	S	S	*	*				-144.7	144	104.3	27.8	-6.6	0	0	0	116.6
51	R	20.9	Very low	22.8	Very low	230 Å²	230	153.4 Å²	153.4	87%	0.868	78%	0.78	S	S	*	*			trans	79.9	104.7	145.3	-71.2	179.9	179.1	-171.8	0.4	121.9
52	L	22.2	Very low	22.8	Very low	150 Å²	150	152.4 Å²	152.4	79%	0.785	78%	0.78	S	S	*	*				62.8	113.4	114.2	-126.4	84.6	0	0	0	121.9
53	R	21.8	Very low	22.7	Very low	227 Å²	227	152.3 Å²	152.3	86%	0.857	79%	0.787	S	S	*	*			trans	66.8	108.9	144.9	-80.3	175.6	-177	-169.3	1	119
54	S	20.4	Very low	22.7	Very low	105 Å²	105	151.4 Å²	151.4	73%	0.734	78%	0.782	S	S	*	*				-171.3	134.8	90.4	59.1	0	0	0	0	111.1
55	T	26.2	Very low	22.8	Very low	124 Å²	124	152.3 Å²	152.3	76%	0.761	79%	0.785	S	S	*	*			trans	33.2	108.6	148	52.6	0	0	0	0	118.6
56	D	20.1	Very low	22.6	Very low	156 Å²	156	153.1 Å²	153.1	83%	0.834	79%	0.793	S	S	*	*			trans	-151.8	142.4	135.6	-99	-32.2	0	0	0	112.2
57	V	25.7	Very low	22.8	Very low	130 Å²	130	157 Å²	157	79%	0.788	80%	0.796	S	S	*	*			trans	-60.9	122.8	-176.2	173.5	0	0	0	0	110.2
58	F	21.2	Very low	22.9	Very low	200 Å²	200	162 Å²	162	88%	0.877	81%	0.805	S	S	*	*			trans	-107.9	107.2	165.3	-95.8	-84.7	0	0	0	110.1	S60	F58-S60 PolarHBondContact O-N 3.2Å
59	Q	24	Very low	23.2	Very low	170 Å²	170	161 Å²	161	79%	0.794	79%	0.787	S	S	*	*			trans	-64.4	111.2	159.9	-77.8	173.3	-30.8	0	0	108.6
60	S	23	Very low	23.3	Very low	100 Å²	100	160.5 Å²	160.5	70%	0.699	79%	0.786	S	S	*	*			trans	-91.5	118.1	162.6	53.3	0	0	0	0	108.9	F58 N62	F58-S60 PolarHBondContact O-N 3.2Å; S60-N62 PolarHBondContact O-N 3.41Å; S60-N62 VanDerWaalsContact O-N 3.14Å
61	H	22	Very low	23.4	Very low	181 Å²	181	159.4 Å²	159.4	84%	0.838	79%	0.787	S	S	*	*			trans	-59.9	109.3	175	-77.6	-89.8	0	0	0	110.9
62	N	24.4	Very low	23.7	Very low	137 Å²	137	157 Å²	157	73%	0.733	78%	0.783	S	S	*	*			trans	-78.6	119.7	166.5	-77.3	-17.7	0	0	0	109.5	S60 I64	S60-N62 PolarHBondContact O-N 3.41Å; S60-N62 VanDerWaalsContact O-N 3.14Å; N62-I64 VanDerWaalsContact C-N 3.35Å; N62-I64 HydrophobicContact CB-CG1 4.43Å; N62-I64 PolarHBondContact O-N 3.06Å
63	L	22.1	Very low	24.1	Very low	181 Å²	181	155.6 Å²	155.6	95%	0.948	79%	0.785	S	S	*	*			trans	-71.9	88.8	167.4	-93.6	142	0	0	0	109	R65	L63-R65 PolarHBondContact O-N 3.47Å
64	I	22.7	Very low	24.6	Very low	133 Å²	133	149 Å²	149	68%	0.682	77%	0.77	S	S	*	*			trans	-78.3	106.4	172.3	-60.4	171.5	0	0	0	107.9	N62 N66	N62-I64 VanDerWaalsContact C-N 3.35Å; N62-I64 HydrophobicContact CB-CG1 4.43Å; N62-I64 PolarHBondContact O-N 3.06Å; I64-N66 WeakPolarHBondContact CG2-OD1 3.43Å; I64-N66 PolarHBondContact O-N 3.26Å
65	R	22.6	Very low	25.5	Very low	226 Å²	226	147.4 Å²	147.4	85%	0.853	76%	0.756	S	S	*	*			trans	-84.1	104.2	166.9	-119.7	-179.9	-177.8	174.7	1	108	L63 Y67	L63-R65 PolarHBondContact O-N 3.47Å; R65-Y67 PolarHBondContact O-N 3.15Å
66	N	20.2	Very low	26	Very low	147 Å²	147	147.1 Å²	147.1	79%	0.786	75%	0.746	S	S	*	*			trans	-68.2	110.5	177.8	-71.1	-30.9	0	0	0	110.9	I64	I64-N66 WeakPolarHBondContact CG2-OD1 3.43Å; I64-N66 PolarHBondContact O-N 3.26Å
67	Y	25.7	Very low	27	Very low	205 Å²	205	144.1 Å²	144.1	80%	0.804	73%	0.726	S	S	*	*			trans	-103.4	131.2	157.2	-92.4	-87.8	0	0	0	108.9	R65 Y169	R65-Y67 PolarHBondContact O-N 3.15Å; Y67-Y169 PolarHBondContact O-OH 2.67Å
68	K	23.6	Very low	27.8	Very low	202 Å²	202	140.5 Å²	140.5	88%	0.878	71%	0.705	S	S	*	*			trans	-106.6	112.4	-177.4	-145.7	-176.2	-173.7	-172.9	0	107	Y169	K68-Y169 WeakPolarHBondContact CA-OH 3.31Å
69	K	28	Very low	29	Very low	99 Å²	99	140.1 Å²	140.1	43%	0.43	71%	0.711	S	S	.	*			trans	-136.1	127.6	177.9	-138.1	178.4	-176.4	-167.7	0	106.1	E76 Y169	K69-E76 VanDerWaalsContact CE-CD 3.43Å; K69-E76 WeakPolarHBondContact CE-OE2 3.27Å; K69-E76 IonicContact NZ-OE2 2.75Å; K69-E76 PolarHBondContact NZ-OE2 3.44Å; K69-Y169 HydrophobicContact CB-CE2 3.87Å; K69-Y169 PolarHBondContact N-OH 3.25Å; K69-Y169 WeakPolarHBondContact O-CE2 3.42Å; K69-Y169 PolarHBondContact O-OH 3.36Å
70	D	25.9	Very low	30.4	Very low	152 Å²	152	135.8 Å²	135.8	81%	0.813	70%	0.7	S	S	*	*			trans	-70.5	143.5	-164.2	-75.7	-46.5	0	0	0	113.1	K72	D70-K72 PolarHBondContact O-N 2.9Å
71	A	28.4	Very low	32.5	Very low	92 Å²	92	135 Å²	135	76%	0.76	69%	0.692	S	S	*	*	S	Bend	trans	-67.4	110.6	175.4	0	0	0	0	0	111.2
72	K	27.5	Very low	35	Very low	181 Å²	181	128.1 Å²	128.1	79%	0.787	66%	0.661	S	S	*	*	S	Bend	trans	176.1	138.6	148.8	-96.2	163.3	-169.4	-169.8	0	105	D70 T74	D70-K72 PolarHBondContact O-N 2.9Å; K72-T74 PolarHBondContact O-N 2.68Å; K72-T74 PolarHBondContact O-OG1 3.31Å; K72-T74 VanDerWaalsContact O-OG1 3.06Å
73	S	31.4	Very low	37.9	Very low	119 Å²	119	124.5 Å²	124.5	83%	0.832	64%	0.644	S	S	*	*			trans	-63.2	38.1	177	55.5	0	0	0	0	114.5	V75	S73-V75 PolarHBondContact O-N 2.96Å; S73-V75 VanDerWaalsContact O-N 3.07Å
74	T	30.9	Very low	41.1	Very low	89 Å²	89	117.8 Å²	117.8	55%	0.546	61%	0.611	S	S	.	*			trans	-60.8	105.8	155.9	-3.7	0	0	0	0	106.6	K72 E76	K72-T74 PolarHBondContact O-N 2.68Å; K72-T74 PolarHBondContact O-OG1 3.31Å; K72-T74 VanDerWaalsContact O-OG1 3.06Å; T74-E76 PolarHBondContact O-N 2.92Å
75	V	39.3	Very low	44.3	Very low	71 Å²	71	116 Å²	116	43%	0.43	61%	0.606	S	S	.	*			trans	-53.8	93.9	156.9	178	0	0	0	0	105.6	S73 F77	S73-V75 PolarHBondContact O-N 2.96Å; S73-V75 VanDerWaalsContact O-N 3.07Å; V75-F77 PolarHBondContact O-N 3.4Å
76	E	36.4	Very low	47.6	Very low	118 Å²	118	109 Å²	109	55%	0.551	59%	0.586	S	S	*	*			trans	-64.5	110.8	172.5	-89.4	-166.4	-174.1	0	0	106.3	K69 T74 P78	K69-E76 VanDerWaalsContact CE-CD 3.43Å; K69-E76 WeakPolarHBondContact CE-OE2 3.27Å; K69-E76 IonicContact NZ-OE2 2.75Å; K69-E76 PolarHBondContact NZ-OE2 3.44Å; T74-E76 PolarHBondContact O-N 2.92Å; E76-P78 WeakPolarHBondContact O-CD 3.24Å
77	F	41.9	Very low	51	Low	94 Å²	94	102 Å²	102	41%	0.412	55%	0.548	S	S	.	.			trans	-63.8	123.2	176.8	-63.4	-81.3	0	0	0	108.1	V75 L79 T532 H535	V75-F77 PolarHBondContact O-N 3.4Å; F77-L79 PolarHBondContact O-N 3.44Å; F77-T532 HydrophobicContact CZ-CG2 4.49Å; F77-H535 AromaticContact CE1-ND1 3.65Å
78	P	42.6	Very low	54.2	Low	54 Å²	54	94.1 Å²	94.1	35%	0.351	52%	0.518	S	S	.	.			trans	-57.2	134.6	169.2	21.2	-28.9	0	0	0	108.1	E76 S80 I82	E76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-S80 PolarHBondContact O-N 2.92Å; P78-I82 HydrophobicContact CG-CD1 4.34Å
79	L	45.5	Very low	57.5	Low	191 Å²	191	90.6 Å²	90.6	100%	1	51%	0.505	S	S	*	.	S	Bend	trans	-59.4	-10	-176	-69.5	165.1	0	0	0	113.2	F77	F77-L79 PolarHBondContact O-N 3.44Å
80	S	54.8	Low	60.6	Low	80 Å²	80	87.7 Å²	87.7	56%	0.559	49%	0.491	S	S	*	.	S	Bend	trans	-132.7	130.5	170.2	55.1	0	0	0	0	110.8	P78 I82	P78-S80 PolarHBondContact O-N 2.92Å; S80-I82 PolarHBondContact O-N 3.48Å
81	P	65.8	Low	63.7	Low	83 Å²	83	80.4 Å²	80.4	54%	0.539	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-63.9	124	175	25.5	-31.6	0	0	0	110	T83	P81-T83 PolarHBondContact O-N 2.93Å
82	I	76.2	Confident	66.8	Low	37 Å²	37	83.5 Å²	83.5	19%	0.19	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-67.2	130	177.6	-62.4	157.2	0	0	0	108.5	P78 S80 I87 W143	P78-I82 HydrophobicContact CG-CD1 4.34Å; S80-I82 PolarHBondContact O-N 3.48Å; I82-I87 HydrophobicContact CG2-CD1 3.77Å; I82-I87 HydrophobicContact CG2-CG1 3.56Å; I82-W143 HydrophobicContact CD1-CB 3.59Å; I82-W143 VanDerWaalsContact CD1-CD1 3.48Å; I82-W143 HydrophobicContact CD1-CG 3.76Å; I82-W143 HydrophobicContact CG2-CG 4.42Å
83	T	85.1	Confident	69.9	Low	61 Å²	61	78.8 Å²	78.8	37%	0.374	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-101.5	153.8	175.2	79.1	0	0	0	0	111.9	P81 T85 D86 I87	P81-T83 PolarHBondContact O-N 2.93Å; T83-T85 PolarHBondContact O-N 3.14Å; T83-T85 VanDerWaalsContact O-N 3.16Å; T83-T85 PolarHBondContact OG1-N 3.32Å; T83-D86 WeakPolarHBondContact CB-OD2 3.34Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.41Å; T83-D86 PolarHBondContact N-OD2 2.91Å; T83-D86 VanDerWaalsContact N-OD2 3.12Å; T83-D86 WeakPolarHBondContact O-CB 3.1Å; T83-D86 PolarHBondContact O-N 3.23Å; T83-D86 PolarHBondContact OG1-N 2.65Å; T83-D86 PolarHBondContact OG1-OD1 3.03Å; T83-D86 PolarHBondContact OG1-OD2 2.88Å; T83-I87 PolarHBondContact O-N 2.96Å; T83-I87 VanDerWaalsContact O-N 3.08Å
84	V	89.2	Confident	72.6	Confident	40 Å²	40	75.3 Å²	75.3	24%	0.242	40%	0.404	C	S	.	.	H	α-helix	trans	-53.4	-36	172.6	-177.7	0	0	0	0	111.9	D86 K88 K127	V84-D86 VanDerWaalsContact C-N 3.34Å; V84-K88 HydrophobicContact CG1-CD 3.98Å; V84-K88 HydrophobicContact CG1-CG 4.32Å; V84-K88 WeakPolarHBondContact O-CB 3.5Å; V84-K88 VanDerWaalsContact O-CG 3.28Å; V84-K88 WeakPolarHBondContact O-CG 3.46Å; V84-K88 PolarHBondContact O-N 3.28Å; V84-K127 HydrophobicContact CG1-CG 4.34Å; V84-K127 HydrophobicContact CG2-CB 3.55Å; V84-K127 HydrophobicContact CG2-CG 4.07Å; V84-K127 WeakPolarHBondContact CG2-O 3.34Å
85	T	90	Very high	75.3	Confident	96 Å²	96	78.3 Å²	78.3	59%	0.589	42%	0.417	S	S	*	.	H	α-helix	trans	-65.3	-42.1	179.9	-52.2	0	0	0	0	110.5	T83 K88 Q89	T83-T85 PolarHBondContact O-N 3.14Å; T83-T85 VanDerWaalsContact O-N 3.16Å; T83-T85 PolarHBondContact OG1-N 3.32Å; T85-K88 PolarHBondContact O-N 2.95Å; T85-Q89 WeakPolarHBondContact O-CB 3.45Å; T85-Q89 PolarHBondContact O-N 3.39Å
86	D	90.4	Very high	77.6	Confident	79 Å²	79	76.7 Å²	76.7	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-46.1	178	-53.7	-38.8	0	0	0	110.8	T83 V84 K88 Q89 Y90	T83-D86 WeakPolarHBondContact CB-OD2 3.34Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.41Å; T83-D86 PolarHBondContact N-OD2 2.91Å; T83-D86 VanDerWaalsContact N-OD2 3.12Å; T83-D86 WeakPolarHBondContact O-CB 3.1Å; T83-D86 PolarHBondContact O-N 3.23Å; T83-D86 PolarHBondContact OG1-N 2.65Å; T83-D86 PolarHBondContact OG1-OD1 3.03Å; T83-D86 PolarHBondContact OG1-OD2 2.88Å; V84-D86 VanDerWaalsContact C-N 3.34Å; D86-K88 PolarHBondContact O-N 3.46Å; D86-Q89 PolarHBondContact O-N 2.97Å; D86-Y90 WeakPolarHBondContact O-CB 3.33Å; D86-Y90 PolarHBondContact O-N 3.23Å
87	I	92	Very high	80.1	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-57	-50.1	175.7	-63.5	170.4	0	0	0	110.2	I82 T83 Q89 Y90 L91 L105 I125 W143	I82-I87 HydrophobicContact CG2-CD1 3.77Å; I82-I87 HydrophobicContact CG2-CG1 3.56Å; T83-I87 PolarHBondContact O-N 2.96Å; T83-I87 VanDerWaalsContact O-N 3.08Å; I87-Q89 VanDerWaalsContact C-N 3.35Å; I87-Q89 PolarHBondContact O-N 3.03Å; I87-Y90 PolarHBondContact O-N 2.9Å; I87-L91 HydrophobicContact CG2-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CG 4.44Å; I87-L91 WeakPolarHBondContact O-CG 3.43Å; I87-L91 PolarHBondContact O-N 3.4Å; I87-L105 HydrophobicContact CB-CD1 4.27Å; I87-L105 HydrophobicContact CG2-CD1 3.54Å; I87-I125 HydrophobicContact CD1-CG2 4.26Å; I87-I125 HydrophobicContact CG2-CG2 4.33Å; I87-W143 HydrophobicContact CB-CH2 4.21Å; I87-W143 HydrophobicContact CB-CZ2 4.36Å; I87-W143 HydrophobicContact CB-CZ3 4.48Å; I87-W143 HydrophobicContact CG1-CD2 4.19Å; I87-W143 HydrophobicContact CG1-CE3 4.28Å; I87-W143 HydrophobicContact CG1-CH2 4.3Å; I87-W143 HydrophobicContact CG1-CZ2 4.17Å; I87-W143 HydrophobicContact CG1-CZ3 4.34Å; I87-W143 HydrophobicContact CG2-CE3 4.36Å; I87-W143 HydrophobicContact CG2-CH2 3.65Å; I87-W143 HydrophobicContact CG2-CZ2 4.28Å; I87-W143 HydrophobicContact CG2-CZ3 3.68Å
88	K	92.9	Very high	82.5	Confident	39 Å²	39	75.4 Å²	75.4	17%	0.17	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-40.6	179.4	-74.5	177.1	178.1	179.1	0	112.3	V84 T85 D86 Y90 R92 F98 D100 L105	V84-K88 HydrophobicContact CG1-CD 3.98Å; V84-K88 HydrophobicContact CG1-CG 4.32Å; V84-K88 WeakPolarHBondContact O-CB 3.5Å; V84-K88 VanDerWaalsContact O-CG 3.28Å; V84-K88 WeakPolarHBondContact O-CG 3.46Å; V84-K88 PolarHBondContact O-N 3.28Å; T85-K88 PolarHBondContact O-N 2.95Å; D86-K88 PolarHBondContact O-N 3.46Å; K88-Y90 VanDerWaalsContact C-N 3.35Å; K88-R92 VanDerWaalsContact O-CG 3.28Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 3.18Å; K88-R92 VanDerWaalsContact O-N 3.1Å; K88-F98 HydrophobicContact CB-CE2 4.49Å; K88-F98 HydrophobicContact CB-CZ 4.14Å; K88-F98 HydrophobicContact CD-CE2 4.21Å; K88-F98 HydrophobicContact CG-CE2 3.86Å; K88-F98 HydrophobicContact CG-CZ 4.02Å; K88-D100 VanDerWaalsContact NZ-CG 3.33Å; K88-D100 IonicContact NZ-OD1 2.76Å; K88-D100 IonicContact NZ-OD2 2.87Å; K88-D100 PolarHBondContact NZ-OD2 2.86Å; K88-L105 HydrophobicContact CG-CD1 3.89Å; K88-L105 HydrophobicContact CG-CD2 4.44Å
89	Q	92.9	Very high	84.8	Confident	128 Å²	128	77.4 Å²	77.4	60%	0.598	41%	0.408	S	S	*	.	H	α-helix	trans	-66.2	-40.1	178.9	-176.2	172.5	-14.4	0	0	111.2	T85 D86 I87 R92 S93	T85-Q89 WeakPolarHBondContact O-CB 3.45Å; T85-Q89 PolarHBondContact O-N 3.39Å; D86-Q89 PolarHBondContact O-N 2.97Å; I87-Q89 VanDerWaalsContact C-N 3.35Å; I87-Q89 PolarHBondContact O-N 3.03Å; Q89-R92 PolarHBondContact O-N 3.44Å; Q89-S93 PolarHBondContact O-N 3.3Å
90	Y	92.5	Very high	87	Confident	37 Å²	37	72 Å²	72	15%	0.145	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-46.6	175.3	-174.4	-87.3	0	0	0	112.1	D86 I87 K88 R92 S93 K94 W143 Q147 L150	D86-Y90 WeakPolarHBondContact O-CB 3.33Å; D86-Y90 PolarHBondContact O-N 3.23Å; I87-Y90 PolarHBondContact O-N 2.9Å; K88-Y90 VanDerWaalsContact C-N 3.35Å; Y90-R92 VanDerWaalsContact C-N 3.27Å; Y90-R92 PolarHBondContact O-N 2.9Å; Y90-S93 PolarHBondContact O-N 2.93Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-S93 PolarHBondContact O-OG 2.9Å; Y90-K94 HydrophobicContact CD1-CG 4.18Å; Y90-K94 HydrophobicContact CE1-CG 3.82Å; Y90-K94 WeakPolarHBondContact O-CG 3.21Å; Y90-K94 PolarHBondContact O-N 2.84Å; Y90-K94 WeakPolarHBondContact OH-CE 3.28Å; Y90-W143 AromaticContact CD1-CH2 3.89Å; Y90-W143 HydrophobicContact CD1-CH2 3.89Å; Y90-W143 AromaticContact CD1-CZ2 3.8Å; Y90-W143 HydrophobicContact CD1-CZ2 3.8Å; Y90-W143 HydrophobicContact CG-CH2 4.42Å; Y90-W143 AromaticContact CG-CZ2 3.95Å; Y90-W143 HydrophobicContact CG-CZ2 3.95Å; Y90-Q147 HydrophobicContact CE1-CG 3.99Å; Y90-Q147 HydrophobicContact CE2-CG 4.23Å; Y90-L150 HydrophobicContact CE1-CD1 4.01Å
91	L	91.8	Very high	88.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60.6	-38.5	177.8	-67.3	174.4	0	0	0	112	I87 K94 D95 I96 F98 L105 I107 I125 W143	I87-L91 HydrophobicContact CG2-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CG 4.44Å; I87-L91 WeakPolarHBondContact O-CG 3.43Å; I87-L91 PolarHBondContact O-N 3.4Å; L91-K94 PolarHBondContact O-N 2.94Å; L91-D95 PolarHBondContact O-N 3.09Å; L91-I96 HydrophobicContact CB-CB 4.49Å; L91-I96 HydrophobicContact CD2-CB 4.28Å; L91-I96 HydrophobicContact CD2-CD1 4Å; L91-I96 HydrophobicContact CD2-CG2 4.25Å; L91-I96 PolarHBondContact O-N 3.11Å; L91-F98 HydrophobicContact CB-CD1 3.97Å; L91-F98 HydrophobicContact CB-CE1 4.37Å; L91-F98 HydrophobicContact CD1-CB 4.12Å; L91-F98 HydrophobicContact CD1-CD1 4.25Å; L91-F98 HydrophobicContact CD1-CG 4.21Å; L91-L105 HydrophobicContact CD1-CD1 4.39Å; L91-I107 HydrophobicContact CD1-CG2 3.96Å; L91-I107 HydrophobicContact CD2-CG2 4.42Å; L91-I125 HydrophobicContact CD1-CD1 4.14Å; L91-W143 HydrophobicContact CD2-CH2 4.44Å; L91-W143 HydrophobicContact CG-CH2 4.49Å
92	R	93.2	Very high	89.9	Confident	157 Å²	157	69.8 Å²	69.8	59%	0.592	35%	0.354	S	S	*	.	H	α-helix	trans	-66.5	-38.9	174.4	-70.7	176.3	-174	152.1	-0.1	113	K88 Q89 Y90 K94 D95 F98	K88-R92 VanDerWaalsContact O-CG 3.28Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 3.18Å; K88-R92 VanDerWaalsContact O-N 3.1Å; Q89-R92 PolarHBondContact O-N 3.44Å; Y90-R92 VanDerWaalsContact C-N 3.27Å; Y90-R92 PolarHBondContact O-N 2.9Å; R92-K94 PolarHBondContact O-N 3.1Å; R92-D95 PolarHBondContact O-N 2.82Å; R92-F98 HydrophobicContact CG-CE1 3.75Å; R92-F98 HydrophobicContact CG-CZ 4.33Å
93	S	92.3	Very high	90.5	Very high	82 Å²	82	68.4 Å²	68.4	57%	0.573	35%	0.347	S	S	*	.	H	α-helix	trans	-69.9	-16.3	178.8	70.1	0	0	0	0	113	Q89 Y90	Q89-S93 PolarHBondContact O-N 3.3Å; Y90-S93 PolarHBondContact O-N 2.93Å; Y90-S93 VanDerWaalsContact O-N 3.14Å; Y90-S93 PolarHBondContact O-OG 2.9Å
94	K	88.2	Confident	90.9	Very high	45 Å²	45	65.5 Å²	65.5	20%	0.196	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	6.9	176.2	-61.4	-71.2	-176.5	177.7	0	113.2	Y90 L91 R92 I96 Q154	Y90-K94 HydrophobicContact CD1-CG 4.18Å; Y90-K94 HydrophobicContact CE1-CG 3.82Å; Y90-K94 WeakPolarHBondContact O-CG 3.21Å; Y90-K94 PolarHBondContact O-N 2.84Å; Y90-K94 WeakPolarHBondContact OH-CE 3.28Å; L91-K94 PolarHBondContact O-N 2.94Å; R92-K94 PolarHBondContact O-N 3.1Å; K94-I96 HydrophobicContact CB-CD1 3.89Å; K94-I96 HydrophobicContact CB-CG1 3.99Å; K94-I96 PolarHBondContact O-N 3.2Å; K94-Q154 VanDerWaalsContact CD-OE1 3.25Å
95	D	87.8	Confident	91.1	Very high	153 Å²	153	63.6 Å²	63.6	82%	0.818	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	29.7	-176.6	-64.6	-45.1	0	0	0	114.5	L91 R92	L91-D95 PolarHBondContact O-N 3.09Å; R92-D95 PolarHBondContact O-N 2.82Å
96	I	88.1	Confident	91.2	Very high	36 Å²	36	60.1 Å²	60.1	19%	0.185	30%	0.295	C	S	.	.			trans	-87.8	121.4	178.6	-59.5	171.6	0	0	0	109.3	L91 K94 F98 I107 L150	L91-I96 HydrophobicContact CB-CB 4.49Å; L91-I96 HydrophobicContact CD2-CB 4.28Å; L91-I96 HydrophobicContact CD2-CD1 4Å; L91-I96 HydrophobicContact CD2-CG2 4.25Å; L91-I96 PolarHBondContact O-N 3.11Å; K94-I96 HydrophobicContact CB-CD1 3.89Å; K94-I96 HydrophobicContact CB-CG1 3.99Å; K94-I96 PolarHBondContact O-N 3.2Å; I96-F98 PolarHBondContact O-N 2.84Å; I96-I107 HydrophobicContact CG2-CB 4.16Å; I96-I107 HydrophobicContact CG2-CD1 4.46Å; I96-I107 HydrophobicContact CG2-CG2 4.15Å; I96-L150 HydrophobicContact CD1-CD1 3.57Å; I96-L150 HydrophobicContact CD1-CD2 3.54Å; I96-L150 HydrophobicContact CD1-CG 4.15Å
97	L	88.6	Confident	91.2	Very high	137 Å²	137	56.3 Å²	56.3	72%	0.717	28%	0.275	S	S	*	.			trans	-65.9	131.8	171.3	-65.6	173.7	0	0	0	110.1	P108	L97-P108 VanDerWaalsContact O-CD 3.26Å; L97-P108 WeakPolarHBondContact O-CD 3.44Å
98	F	91.9	Very high	91.1	Very high	48 Å²	48	58 Å²	58	21%	0.211	29%	0.285	C	S	.	.			trans	-136.4	146.6	175.7	66.6	-89.1	0	0	0	111.7	K88 L91 R92 I96 L105 H106 I107	K88-F98 HydrophobicContact CB-CE2 4.49Å; K88-F98 HydrophobicContact CB-CZ 4.14Å; K88-F98 HydrophobicContact CD-CE2 4.21Å; K88-F98 HydrophobicContact CG-CE2 3.86Å; K88-F98 HydrophobicContact CG-CZ 4.02Å; L91-F98 HydrophobicContact CB-CD1 3.97Å; L91-F98 HydrophobicContact CB-CE1 4.37Å; L91-F98 HydrophobicContact CD1-CB 4.12Å; L91-F98 HydrophobicContact CD1-CD1 4.25Å; L91-F98 HydrophobicContact CD1-CG 4.21Å; R92-F98 HydrophobicContact CG-CE1 3.75Å; R92-F98 HydrophobicContact CG-CZ 4.33Å; I96-F98 PolarHBondContact O-N 2.84Å; F98-L105 HydrophobicContact CD2-CD2 4.42Å; F98-H106 CarbonylContact C-O 3.53Å; F98-H106 VanDerWaalsContact CA-O 3.24Å; F98-H106 WeakPolarHBondContact CA-O 3.36Å; F98-I107 HydrophobicContact CB-CG2 3.67Å
99	H	91.2	Very high	90.7	Very high	96 Å²	96	56.1 Å²	56.1	44%	0.444	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132	170.7	175.5	-95.7	0	0	0	109.9	G101 H106 F121	H99-G101 PolarHBondContact O-N 3.3Å; H99-H106 HydrophobicContact CB-CB 4.26Å; H99-H106 PolarHBondContact N-O 3.31Å; H99-H106 AromaticContact ND1-CE1 3.52Å; H99-H106 AromaticContact ND1-CG 3.98Å; H99-H106 AromaticContact ND1-ND1 3.2Å; H99-H106 PolarHBondContact ND1-ND1 3.45Å; H99-H106 VanDerWaalsContact ND1-ND1 3.2Å; H99-H106 PolarHBondContact O-N 3.18Å; H99-F121 HydrophobicContact CB-CD1 4.47Å; H99-F121 HydrophobicContact CB-CD2 4.35Å; H99-F121 HydrophobicContact CB-CE1 4.28Å; H99-F121 HydrophobicContact CB-CE2 4.16Å; H99-F121 HydrophobicContact CB-CZ 4.13Å
100	D	91.7	Very high	90.4	Very high	78 Å²	78	50.6 Å²	50.6	42%	0.417	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	97	177.9	-164.8	5.7	0	0	0	110	K88 L105 K127	K88-D100 VanDerWaalsContact NZ-CG 3.33Å; K88-D100 IonicContact NZ-OD1 2.76Å; K88-D100 IonicContact NZ-OD2 2.87Å; K88-D100 PolarHBondContact NZ-OD2 2.86Å; D100-L105 HydrophobicContact CB-CD2 4.35Å; D100-L105 WeakPolarHBondContact OD1-CD2 3.2Å; D100-K127 WeakPolarHBondContact OD1-CE 3.29Å; D100-K127 IonicContact OD1-NZ 3.58Å; D100-K127 PolarHBondContact OD1-NZ 3.36Å
101	G	90.8	Very high	90	Very high	13 Å²	13	49.2 Å²	49.2	13%	0.134	25%	0.247	C	C	.	.			trans	-75.5	-159.6	179.6	0	0	0	0	0	114.3	H99 C104 K127 E331	H99-G101 PolarHBondContact O-N 3.3Å; G101-C104 WeakPolarHBondContact CA-O 3.34Å; G101-C104 PolarHBondContact N-O 2.88Å; G101-C104 VanDerWaalsContact N-O 3.1Å; G101-K127 PolarHBondContact O-NZ 3.42Å; G101-E331 WeakPolarHBondContact CA-OE1 3.45Å
102	Y	90.3	Very high	89.4	Confident	104 Å²	104	50.6 Å²	50.6	41%	0.408	25%	0.254	S	S	.	.	S	Bend	trans	-78.6	-71.6	171.1	-55.2	-78.6	0	0	0	110.3	K127 E331 R361	Y102-K127 PolarHBondContact O-NZ 3.41Å; Y102-E331 PolarHBondContact N-OE1 3.13Å; Y102-R361 HydrophobicContact CD1-CG 4.18Å; Y102-R361 HydrophobicContact CE1-CB 4.28Å; Y102-R361 HydrophobicContact CE1-CG 4.31Å
103	S	90.2	Very high	88.3	Confident	8 Å²	8	47.5 Å²	47.5	6%	0.056	25%	0.249	C	C	.	.	S	Bend	trans	-93.8	-31.6	-176.6	10.8	0	0	0	0	112.3	K127 E331	S103-K127 VanDerWaalsContact O-CB 3.28Å; S103-K127 WeakPolarHBondContact O-CB 3.33Å; S103-K127 WeakPolarHBondContact O-CD 3.46Å; S103-K127 WeakPolarHBondContact O-CG 3.29Å; S103-K127 PolarHBondContact O-N 3.41Å; S103-K127 VanDerWaalsContact O-N 3.15Å; S103-E331 PolarHBondContact N-OE2 3.28Å; S103-E331 VanDerWaalsContact N-OE2 3.08Å; S103-E331 PolarHBondContact OG-OE2 3.26Å
104	C	92.6	Very high	86.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.3	-174	-54.4	0	0	0	0	111.8	G101 H106 F124 I125 K127 E331	G101-C104 WeakPolarHBondContact CA-O 3.34Å; G101-C104 PolarHBondContact N-O 2.88Å; G101-C104 VanDerWaalsContact N-O 3.1Å; C104-H106 PolarHBondContact O-CD2 3.12Å; C104-H106 PolarHBondContact O-NE2 3.22Å; C104-F124 HydrophobicContact CB-CB 4.06Å; C104-F124 HydrophobicContact CB-CD1 4.26Å; C104-I125 CarbonylContact C-O 3.54Å; C104-I125 WeakPolarHBondContact CA-O 3.41Å; C104-I125 WeakPolarHBondContact CB-O 3.31Å; C104-K127 WeakPolarHBondContact O-CE 3.49Å; C104-E331 PolarHBondContact N-OE2 3.23Å
105	L	93.3	Very high	85.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	139.1	159.2	-59.7	175.7	0	0	0	108.4	I87 K88 L91 F98 D100 F124 I125 K127	I87-L105 HydrophobicContact CB-CD1 4.27Å; I87-L105 HydrophobicContact CG2-CD1 3.54Å; K88-L105 HydrophobicContact CG-CD1 3.89Å; K88-L105 HydrophobicContact CG-CD2 4.44Å; L91-L105 HydrophobicContact CD1-CD1 4.39Å; F98-L105 HydrophobicContact CD2-CD2 4.42Å; D100-L105 HydrophobicContact CB-CD2 4.35Å; D100-L105 WeakPolarHBondContact OD1-CD2 3.2Å; L105-F124 CarbonylContact O-C 3.57Å; L105-F124 WeakPolarHBondContact O-CA 3.13Å; L105-I125 HydrophobicContact CB-CB 4.41Å; L105-I125 PolarHBondContact N-O 3.06Å; L105-I125 PolarHBondContact O-N 2.92Å; L105-K127 HydrophobicContact CD2-CG 4.46Å; L105-K127 HydrophobicContact CG-CG 4.16Å
106	H	92.3	Very high	84.2	Confident	22 Å²	22	50.6 Å²	50.6	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.8	-179.2	-35.2	159.7	0	0	0	108.5	F98 H99 C104 F121 L123 F124 E331	F98-H106 CarbonylContact C-O 3.53Å; F98-H106 VanDerWaalsContact CA-O 3.24Å; F98-H106 WeakPolarHBondContact CA-O 3.36Å; H99-H106 HydrophobicContact CB-CB 4.26Å; H99-H106 PolarHBondContact N-O 3.31Å; H99-H106 AromaticContact ND1-CE1 3.52Å; H99-H106 AromaticContact ND1-CG 3.98Å; H99-H106 AromaticContact ND1-ND1 3.2Å; H99-H106 PolarHBondContact ND1-ND1 3.45Å; H99-H106 VanDerWaalsContact ND1-ND1 3.2Å; H99-H106 PolarHBondContact O-N 3.18Å; C104-H106 PolarHBondContact O-CD2 3.12Å; C104-H106 PolarHBondContact O-NE2 3.22Å; H106-F121 HydrophobicContact CB-CB 3.47Å; H106-F121 VanDerWaalsContact CB-CB 3.47Å; H106-F121 HydrophobicContact CB-CD1 4.16Å; H106-F121 HydrophobicContact CB-CG 3.96Å; H106-F121 VanDerWaalsContact O-CD1 3.25Å; H106-F121 WeakPolarHBondContact O-CD1 3.5Å; H106-L123 WeakPolarHBondContact CA-O 3.4Å; H106-F124 HydrophobicContact CB-CD1 4.47Å; H106-F124 HydrophobicContact CB-CE1 4.37Å; H106-F124 AromaticContact CD2-CD1 3.46Å; H106-F124 VanDerWaalsContact CD2-CD1 3.46Å; H106-F124 WeakPolarHBondContact CD2-CD1 3.24Å; H106-F124 AromaticContact CD2-CE1 3.66Å; H106-F124 AromaticContact CG-CD1 3.99Å; H106-F124 AromaticContact CG-CE1 3.83Å; H106-F124 AromaticContact NE2-CD1 3.96Å; H106-F124 AromaticContact NE2-CE1 3.94Å; H106-E331 IonicContact CE1-OE1 2.64Å; H106-E331 PolarHBondContact CE1-OE1 2.81Å; H106-E331 VanDerWaalsContact NE2-CD 3.31Å; H106-E331 WeakPolarHBondContact NE2-CG 3.11Å; H106-E331 IonicContact NE2-OE1 2.7Å; H106-E331 PolarHBondContact NE2-OE1 3.32Å
107	I	91.6	Very high	83	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.5	174	69.4	170.2	0	0	0	109.9	L91 I96 F98 S122 L123 I125	L91-I107 HydrophobicContact CD1-CG2 3.96Å; L91-I107 HydrophobicContact CD2-CG2 4.42Å; I96-I107 HydrophobicContact CG2-CB 4.16Å; I96-I107 HydrophobicContact CG2-CD1 4.46Å; I96-I107 HydrophobicContact CG2-CG2 4.15Å; F98-I107 HydrophobicContact CB-CG2 3.67Å; I107-S122 PolarHBondContact O-N 3.48Å; I107-L123 HydrophobicContact CD1-CD1 4.36Å; I107-L123 HydrophobicContact CD1-CD2 3.83Å; I107-L123 HydrophobicContact CG1-CB 3.86Å; I107-L123 HydrophobicContact CG1-CD1 4.44Å; I107-L123 HydrophobicContact CG1-CD2 3.67Å; I107-L123 HydrophobicContact CG1-CG 4.18Å; I107-L123 PolarHBondContact N-O 3.31Å; I107-L123 PolarHBondContact O-N 2.85Å; I107-L123 VanDerWaalsContact O-N 3.17Å; I107-I125 HydrophobicContact CD1-CD1 4.06Å; I107-I125 HydrophobicContact CG1-CD1 4.35Å; I107-I125 HydrophobicContact CG2-CD1 4.19Å
108	P	88.2	Confident	81.6	Confident	35 Å²	35	53.5 Å²	53.5	23%	0.227	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	143.3	169.7	-21.3	33	0	0	0	110.6	L97 I110 F121	L97-P108 VanDerWaalsContact O-CD 3.26Å; L97-P108 WeakPolarHBondContact O-CD 3.44Å; P108-I110 PolarHBondContact O-N 3.08Å; P108-F121 HydrophobicContact CG-CD1 4.43Å; P108-F121 HydrophobicContact CG-CE1 4.39Å
109	S	86	Confident	79.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.299	C	S	.	.			trans	-67	129	178.5	175.5	0	0	0	0	111.4	F111 R117 S122 C134	S109-F111 VanDerWaalsContact C-N 3.35Å; S109-F111 PolarHBondContact OG-N 3.12Å; S109-F111 VanDerWaalsContact OG-N 3.13Å; S109-R117 VanDerWaalsContact O-CZ 3.23Å; S109-R117 PolarHBondContact O-NE 3.34Å; S109-R117 PolarHBondContact O-NH2 3.02Å; S109-S122 VanDerWaalsContact CB-OG 3.25Å; S109-S122 WeakPolarHBondContact CB-OG 3.5Å; S109-C134 PolarHBondContact OG-SG 3.09Å
110	I	85.9	Confident	78.7	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.062	29%	0.291	C	S	.	.	S	Bend	trans	-85.1	-9.6	172.4	65	171.7	0	0	0	112.9	P108 L123 L146 C149 L150 M153 S160 L161	P108-I110 PolarHBondContact O-N 3.08Å; I110-L123 HydrophobicContact CD1-CD1 4.5Å; I110-L123 HydrophobicContact CG1-CD1 3.9Å; I110-L146 HydrophobicContact CD1-CD1 3.59Å; I110-C149 HydrophobicContact CD1-CB 3.74Å; I110-L150 HydrophobicContact CD1-CD2 4.33Å; I110-L150 HydrophobicContact CG2-CD2 3.93Å; I110-M153 HydrophobicContact CB-CE 4.08Å; I110-M153 HydrophobicContact CB-SD 3.63Å; I110-M153 HydrophobicContact CD1-SD 4.19Å; I110-M153 HydrophobicContact CG1-SD 4.44Å; I110-M153 HydrophobicContact CG2-CE 4.21Å; I110-M153 HydrophobicContact CG2-SD 3.91Å; I110-S160 CarbonylContact O-C 3.6Å; I110-S160 WeakPolarHBondContact O-CA 3.37Å; I110-L161 PolarHBondContact O-N 3.15Å
111	F	83.8	Confident	78.2	Confident	8 Å²	8	57 Å²	57	4%	0.035	29%	0.288	C	S	.	.	S	Bend	trans	-99.6	10.3	-177.2	-52.4	-66.2	0	0	0	113.3	S109 L123 F132 C134 T137 V139 L161 P163 L166	S109-F111 VanDerWaalsContact C-N 3.35Å; S109-F111 PolarHBondContact OG-N 3.12Å; S109-F111 VanDerWaalsContact OG-N 3.13Å; F111-L123 HydrophobicContact CD2-CD1 4.12Å; F111-L123 HydrophobicContact CE2-CD1 3.66Å; F111-F132 HydrophobicContact CE2-CD2 4.35Å; F111-F132 AromaticContact CE2-CE2 3.66Å; F111-F132 HydrophobicContact CE2-CE2 3.66Å; F111-F132 HydrophobicContact CE2-CZ 4.45Å; F111-F132 AromaticContact CZ-CE2 3.85Å; F111-F132 HydrophobicContact CZ-CE2 3.85Å; F111-F132 HydrophobicContact CZ-CZ 4.2Å; F111-C134 HydrophobicContact CD2-CB 3.9Å; F111-C134 HydrophobicContact CE2-CB 4.38Å; F111-T137 HydrophobicContact CB-CG2 3.79Å; F111-V139 HydrophobicContact CD2-CB 4.13Å; F111-V139 HydrophobicContact CD2-CG1 4.25Å; F111-V139 HydrophobicContact CE1-CG1 4.3Å; F111-V139 HydrophobicContact CE2-CB 4.23Å; F111-V139 HydrophobicContact CE2-CG1 3.93Å; F111-V139 HydrophobicContact CG-CB 4.5Å; F111-V139 HydrophobicContact CG-CG2 4.48Å; F111-V139 HydrophobicContact CZ-CG1 3.97Å; F111-L161 WeakPolarHBondContact CA-O 3.32Å; F111-L161 HydrophobicContact CD1-CB 4.32Å; F111-P163 HydrophobicContact CB-CG 4.39Å; F111-L166 HydrophobicContact CD1-CD1 4.48Å; F111-L166 HydrophobicContact CE1-CD1 3.39Å; F111-L166 HydrophobicContact CE1-CG 4.44Å; F111-L166 HydrophobicContact CE2-CD1 4.21Å; F111-L166 HydrophobicContact CZ-CD1 3.23Å
112	I	78.9	Confident	77.9	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.149	28%	0.284	C	S	.	.	S	Bend	trans	-131.2	135.1	179.9	-57.9	168.8	0	0	0	107.5	T116 R117 D136 T137	I112-T116 WeakPolarHBondContact CG2-OG1 3.47Å; I112-R117 PolarHBondContact O-NH2 3.13Å; I112-D136 HydrophobicContact CD1-CB 3.29Å; I112-D136 WeakPolarHBondContact CD1-OD2 3.4Å; I112-D136 HydrophobicContact CG1-CB 4.38Å; I112-T137 HydrophobicContact CG1-CG2 3.89Å
113	D	70.3	Confident	77.9	Confident	92 Å²	92	51.8 Å²	51.8	49%	0.492	27%	0.265	S	S	.	.			trans	-55.6	138	175.7	-68.2	-18.5	0	0	0	111.4	F115 T116 R117 S160	D113-F115 PolarHBondContact O-N 2.91Å; D113-T116 PolarHBondContact O-N 2.95Å; D113-T116 PolarHBondContact O-OG1 3.07Å; D113-T116 VanDerWaalsContact O-OG1 3.08Å; D113-R117 PolarHBondContact O-N 3.38Å; D113-S160 WeakPolarHBondContact OD1-CB 3.46Å; D113-S160 PolarHBondContact OD1-OG 3.14Å
114	A	64.4	Low	78	Confident	42 Å²	42	52 Å²	52	35%	0.347	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.5	-179.5	0	0	0	0	0	113.2	D159	A114-D159 HydrophobicContact CB-CB 4.34Å
115	F	56.4	Low	78	Confident	206 Å²	206	52 Å²	52	90%	0.904	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.5	177.7	-66.2	-78.2	0	0	0	114.5	D113	D113-F115 PolarHBondContact O-N 2.91Å
116	T	61.8	Low	77.9	Confident	97 Å²	97	52.3 Å²	52.3	60%	0.595	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.2	177.3	50	0	0	0	0	112.4	I112 D113 K118	I112-T116 WeakPolarHBondContact CG2-OG1 3.47Å; D113-T116 PolarHBondContact O-N 2.95Å; D113-T116 PolarHBondContact O-OG1 3.07Å; D113-T116 VanDerWaalsContact O-OG1 3.08Å; T116-K118 PolarHBondContact O-N 2.89Å
117	R	61.9	Low	77.8	Confident	76 Å²	76	52.9 Å²	52.9	29%	0.287	27%	0.269	S	S	.	.			trans	-62.4	99	172.3	-163.6	-175.3	-72.6	157.5	5.6	109.2	S109 I112 D113 D159	S109-R117 VanDerWaalsContact O-CZ 3.23Å; S109-R117 PolarHBondContact O-NE 3.34Å; S109-R117 PolarHBondContact O-NH2 3.02Å; I112-R117 PolarHBondContact O-NH2 3.13Å; D113-R117 PolarHBondContact O-N 3.38Å; R117-D159 PolarHBondContact NH2-O 3.1Å
118	K	59.5	Low	77.6	Confident	158 Å²	158	56.4 Å²	56.4	69%	0.687	29%	0.29	S	S	*	.			trans	-57.8	147.6	156.7	-63.6	179	-179	177.1	0	106.2	T116 S120	T116-K118 PolarHBondContact O-N 2.89Å; K118-S120 PolarHBondContact O-N 3.11Å; K118-S120 PolarHBondContact O-OG 3.28Å
119	D	55.1	Low	77.4	Confident	173 Å²	173	55.6 Å²	55.6	93%	0.925	29%	0.285	S	S	*	.	S	Bend	trans	-59.2	20	178.7	-66.8	-46.3	0	0	0	115
120	S	67.8	Low	77.4	Confident	42 Å²	42	55.6 Å²	55.6	29%	0.294	29%	0.285	S	S	.	.			trans	-82.8	128	176.1	52.3	0	0	0	0	112	K118 S122	K118-S120 PolarHBondContact O-N 3.11Å; K118-S120 PolarHBondContact O-OG 3.28Å; S120-S122 PolarHBondContact O-N 2.99Å
121	F	80.8	Confident	77.5	Confident	80 Å²	80	59 Å²	59	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	108.9	161.9	-59.2	-88.5	0	0	0	109.6	H99 H106 P108	H99-F121 HydrophobicContact CB-CD1 4.47Å; H99-F121 HydrophobicContact CB-CD2 4.35Å; H99-F121 HydrophobicContact CB-CE1 4.28Å; H99-F121 HydrophobicContact CB-CE2 4.16Å; H99-F121 HydrophobicContact CB-CZ 4.13Å; H106-F121 HydrophobicContact CB-CB 3.47Å; H106-F121 VanDerWaalsContact CB-CB 3.47Å; H106-F121 HydrophobicContact CB-CD1 4.16Å; H106-F121 HydrophobicContact CB-CG 3.96Å; H106-F121 VanDerWaalsContact O-CD1 3.25Å; H106-F121 WeakPolarHBondContact O-CD1 3.5Å; P108-F121 HydrophobicContact CG-CD1 4.43Å; P108-F121 HydrophobicContact CG-CE1 4.39Å
122	S	85.2	Confident	77.8	Confident	7 Å²	7	58.8 Å²	58.8	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-4.4	-177.1	57.3	0	0	0	0	114.6	I107 S109 S120 F124 C134 K135 D136	I107-S122 PolarHBondContact O-N 3.48Å; S109-S122 VanDerWaalsContact CB-OG 3.25Å; S109-S122 WeakPolarHBondContact CB-OG 3.5Å; S120-S122 PolarHBondContact O-N 2.99Å; S122-F124 WeakPolarHBondContact O-CD2 3.4Å; S122-F124 WeakPolarHBondContact O-CE2 3.41Å; S122-C134 WeakPolarHBondContact O-CA 3.21Å; S122-K135 PolarHBondContact O-N 3.41Å; S122-D136 WeakPolarHBondContact CB-OD2 3.34Å; S122-D136 PolarHBondContact OG-OD2 2.68Å
123	L	90.3	Very high	78.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	170.4	-165.4	161.4	0	0	0	109.4	H106 I107 I110 F111 I125 F132 C134 L146	H106-L123 WeakPolarHBondContact CA-O 3.4Å; I107-L123 HydrophobicContact CD1-CD1 4.36Å; I107-L123 HydrophobicContact CD1-CD2 3.83Å; I107-L123 HydrophobicContact CG1-CB 3.86Å; I107-L123 HydrophobicContact CG1-CD1 4.44Å; I107-L123 HydrophobicContact CG1-CD2 3.67Å; I107-L123 HydrophobicContact CG1-CG 4.18Å; I107-L123 PolarHBondContact N-O 3.31Å; I107-L123 PolarHBondContact O-N 2.85Å; I107-L123 VanDerWaalsContact O-N 3.17Å; I110-L123 HydrophobicContact CD1-CD1 4.5Å; I110-L123 HydrophobicContact CG1-CD1 3.9Å; F111-L123 HydrophobicContact CD2-CD1 4.12Å; F111-L123 HydrophobicContact CE2-CD1 3.66Å; L123-I125 HydrophobicContact CD2-CD1 4.44Å; L123-I125 HydrophobicContact CD2-CG1 3.83Å; L123-F132 HydrophobicContact CD1-CD2 4.29Å; L123-F132 HydrophobicContact CD2-CB 3.78Å; L123-F132 HydrophobicContact CD2-CD2 4.09Å; L123-F132 HydrophobicContact CD2-CG 4.21Å; L123-F132 HydrophobicContact CG-CD2 4.21Å; L123-C134 HydrophobicContact CG-CB 4.42Å; L123-L146 HydrophobicContact CD1-CD1 4.33Å; L123-L146 HydrophobicContact CD2-CD2 4.32Å
124	F	92.3	Very high	79.1	Confident	13 Å²	13	53.5 Å²	53.5	6%	0.057	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.4	-174	-62.7	-94	0	0	0	109.1	C104 L105 H106 S122 F132 L133 K135 P328 E331	C104-F124 HydrophobicContact CB-CB 4.06Å; C104-F124 HydrophobicContact CB-CD1 4.26Å; L105-F124 CarbonylContact O-C 3.57Å; L105-F124 WeakPolarHBondContact O-CA 3.13Å; H106-F124 HydrophobicContact CB-CD1 4.47Å; H106-F124 HydrophobicContact CB-CE1 4.37Å; H106-F124 AromaticContact CD2-CD1 3.46Å; H106-F124 VanDerWaalsContact CD2-CD1 3.46Å; H106-F124 WeakPolarHBondContact CD2-CD1 3.24Å; H106-F124 AromaticContact CD2-CE1 3.66Å; H106-F124 AromaticContact CG-CD1 3.99Å; H106-F124 AromaticContact CG-CE1 3.83Å; H106-F124 AromaticContact NE2-CD1 3.96Å; H106-F124 AromaticContact NE2-CE1 3.94Å; S122-F124 WeakPolarHBondContact O-CD2 3.4Å; S122-F124 WeakPolarHBondContact O-CE2 3.41Å; F124-F132 CarbonylContact O-C 3.57Å; F124-F132 WeakPolarHBondContact O-CA 3.44Å; F124-L133 PolarHBondContact N-O 3.37Å; F124-L133 PolarHBondContact O-N 3.19Å; F124-K135 HydrophobicContact CD2-CD 4.12Å; F124-K135 HydrophobicContact CD2-CG 3.9Å; F124-K135 HydrophobicContact CE2-CB 4.32Å; F124-K135 HydrophobicContact CE2-CD 3.45Å; F124-K135 VanDerWaalsContact CE2-CD 3.45Å; F124-K135 VanDerWaalsContact CE2-CE 3.44Å; F124-K135 HydrophobicContact CE2-CG 3.63Å; F124-K135 HydrophobicContact CZ-CD 4.05Å; F124-P328 HydrophobicContact CB-CB 3.75Å; F124-P328 HydrophobicContact CB-CG 3.93Å; F124-P328 HydrophobicContact CD1-CB 4.41Å; F124-P328 HydrophobicContact CD2-CB 4.17Å; F124-P328 HydrophobicContact CG-CB 3.85Å; F124-E331 HydrophobicContact CD1-CB 4.35Å; F124-E331 HydrophobicContact CD1-CG 4.06Å; F124-E331 HydrophobicContact CE1-CB 4.21Å; F124-E331 HydrophobicContact CE1-CG 3.98Å
125	I	92.9	Very high	80	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120	177.2	-55	157.8	0	0	0	107.8	I87 L91 C104 L105 I107 L123 K127 Q131 F132 W143 L146	I87-I125 HydrophobicContact CD1-CG2 4.26Å; I87-I125 HydrophobicContact CG2-CG2 4.33Å; L91-I125 HydrophobicContact CD1-CD1 4.14Å; C104-I125 CarbonylContact C-O 3.54Å; C104-I125 WeakPolarHBondContact CA-O 3.41Å; C104-I125 WeakPolarHBondContact CB-O 3.31Å; L105-I125 HydrophobicContact CB-CB 4.41Å; L105-I125 PolarHBondContact N-O 3.06Å; L105-I125 PolarHBondContact O-N 2.92Å; I107-I125 HydrophobicContact CD1-CD1 4.06Å; I107-I125 HydrophobicContact CG1-CD1 4.35Å; I107-I125 HydrophobicContact CG2-CD1 4.19Å; L123-I125 HydrophobicContact CD2-CD1 4.44Å; L123-I125 HydrophobicContact CD2-CG1 3.83Å; I125-K127 PolarHBondContact O-N 2.92Å; I125-Q131 CarbonylContact C-O 3.52Å; I125-Q131 WeakPolarHBondContact CA-O 3.46Å; I125-F132 HydrophobicContact CG1-CB 4.05Å; I125-W143 HydrophobicContact CD1-CZ3 4.11Å; I125-W143 HydrophobicContact CG2-CE3 4.17Å; I125-W143 HydrophobicContact CG2-CZ3 4.31Å; I125-L146 HydrophobicContact CD1-CD2 3.72Å; I125-L146 HydrophobicContact CG1-CD2 3.83Å
126	D	90.8	Very high	81.1	Confident	7 Å²	7	46 Å²	46	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.5	174.9	-175.9	-80.4	0	0	0	110.4	T128 T129 G130 Q131 Y538	D126-T128 VanDerWaalsContact C-N 3.25Å; D126-T128 PolarHBondContact O-N 2.88Å; D126-T128 VanDerWaalsContact OD1-CA 3.31Å; D126-T128 WeakPolarHBondContact OD1-CA 3.43Å; D126-T128 VanDerWaalsContact OD1-CB 3.31Å; D126-T128 WeakPolarHBondContact OD1-CB 3.46Å; D126-T128 PolarHBondContact OD1-N 3.37Å; D126-T129 WeakPolarHBondContact CB-OG1 3.27Å; D126-T129 PolarHBondContact OD1-N 3.02Å; D126-T129 PolarHBondContact OD1-OG1 2.87Å; D126-G130 VanDerWaalsContact O-CA 3.28Å; D126-G130 WeakPolarHBondContact O-CA 3.33Å; D126-G130 PolarHBondContact O-N 3.29Å; D126-Q131 PolarHBondContact N-O 3.09Å; D126-Y538 PolarHBondContact OD1-OH 3.07Å; D126-Y538 PolarHBondContact OD2-OH 2.63Å
127	K	90.4	Very high	82	Confident	34 Å²	34	43.2 Å²	43.2	15%	0.148	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-23.9	-176.6	-76.7	178.2	-169	-175.1	0	113.7	V84 D100 G101 Y102 S103 C104 L105 I125	V84-K127 HydrophobicContact CG1-CG 4.34Å; V84-K127 HydrophobicContact CG2-CB 3.55Å; V84-K127 HydrophobicContact CG2-CG 4.07Å; V84-K127 WeakPolarHBondContact CG2-O 3.34Å; D100-K127 WeakPolarHBondContact OD1-CE 3.29Å; D100-K127 IonicContact OD1-NZ 3.58Å; D100-K127 PolarHBondContact OD1-NZ 3.36Å; G101-K127 PolarHBondContact O-NZ 3.42Å; Y102-K127 PolarHBondContact O-NZ 3.41Å; S103-K127 VanDerWaalsContact O-CB 3.28Å; S103-K127 WeakPolarHBondContact O-CB 3.33Å; S103-K127 WeakPolarHBondContact O-CD 3.46Å; S103-K127 WeakPolarHBondContact O-CG 3.29Å; S103-K127 PolarHBondContact O-N 3.41Å; S103-K127 VanDerWaalsContact O-N 3.15Å; C104-K127 WeakPolarHBondContact O-CE 3.49Å; L105-K127 HydrophobicContact CD2-CG 4.46Å; L105-K127 HydrophobicContact CG-CG 4.16Å; I125-K127 PolarHBondContact O-N 2.92Å
128	T	86.1	Confident	82.8	Confident	73 Å²	73	42.1 Å²	42.1	45%	0.448	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-42.1	-173.1	-46.9	0	0	0	0	111.4	D126 Y538	D126-T128 VanDerWaalsContact C-N 3.25Å; D126-T128 PolarHBondContact O-N 2.88Å; D126-T128 VanDerWaalsContact OD1-CA 3.31Å; D126-T128 WeakPolarHBondContact OD1-CA 3.43Å; D126-T128 VanDerWaalsContact OD1-CB 3.31Å; D126-T128 WeakPolarHBondContact OD1-CB 3.46Å; D126-T128 PolarHBondContact OD1-N 3.37Å; T128-Y538 VanDerWaalsContact CB-CZ 3.49Å; T128-Y538 HydrophobicContact CG2-CD1 3.83Å; T128-Y538 HydrophobicContact CG2-CD2 4.04Å; T128-Y538 HydrophobicContact CG2-CE1 3.9Å; T128-Y538 HydrophobicContact CG2-CE2 4.09Å; T128-Y538 HydrophobicContact CG2-CG 3.9Å; T128-Y538 PolarHBondContact OG1-OH 3.49Å
129	T	84.5	Confident	83.9	Confident	19 Å²	19	35.4 Å²	35.4	12%	0.117	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-20.8	-175.9	63	0	0	0	0	112.9	D126 Q131 Y538 L539	D126-T129 WeakPolarHBondContact CB-OG1 3.27Å; D126-T129 PolarHBondContact OD1-N 3.02Å; D126-T129 PolarHBondContact OD1-OG1 2.87Å; T129-Q131 PolarHBondContact O-N 3.46Å; T129-Q131 PolarHBondContact OG1-N 3.3Å; T129-Y538 HydrophobicContact CG2-CD1 3.69Å; T129-Y538 HydrophobicContact CG2-CE1 3.58Å; T129-L539 HydrophobicContact CG2-CD2 3.52Å; T129-L539 HydrophobicContact CG2-CG 4.41Å
130	G	87.4	Confident	85.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.			trans	72.4	-1.4	-172.7	0	0	0	0	0	114.3	D126 W143	D126-G130 VanDerWaalsContact O-CA 3.28Å; D126-G130 WeakPolarHBondContact O-CA 3.33Å; D126-G130 PolarHBondContact O-N 3.29Å; G130-W143 WeakPolarHBondContact O-CA 3.48Å; G130-W143 WeakPolarHBondContact O-CB 3.47Å; G130-W143 PolarHBondContact O-N 3.49Å
131	Q	87.4	Confident	86.2	Confident	82 Å²	82	32 Å²	32	38%	0.383	17%	0.166	S	C	.	.			trans	-62.1	142.6	173.2	-72.2	-178.5	-25.1	0	0	110.1	I125 D126 T129 G141	I125-Q131 CarbonylContact C-O 3.52Å; I125-Q131 WeakPolarHBondContact CA-O 3.46Å; D126-Q131 PolarHBondContact N-O 3.09Å; T129-Q131 PolarHBondContact O-N 3.46Å; T129-Q131 PolarHBondContact OG1-N 3.3Å; Q131-G141 WeakPolarHBondContact CA-O 3.43Å
132	F	89.9	Confident	86.5	Confident	4 Å²	4	30 Å²	30	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.7	177.1	74.7	-88.1	0	0	0	112.5	F111 L123 F124 I125 V139 E140 G141 S142 D145 L146 L166	F111-F132 HydrophobicContact CE2-CD2 4.35Å; F111-F132 AromaticContact CE2-CE2 3.66Å; F111-F132 HydrophobicContact CE2-CE2 3.66Å; F111-F132 HydrophobicContact CE2-CZ 4.45Å; F111-F132 AromaticContact CZ-CE2 3.85Å; F111-F132 HydrophobicContact CZ-CE2 3.85Å; F111-F132 HydrophobicContact CZ-CZ 4.2Å; L123-F132 HydrophobicContact CD1-CD2 4.29Å; L123-F132 HydrophobicContact CD2-CB 3.78Å; L123-F132 HydrophobicContact CD2-CD2 4.09Å; L123-F132 HydrophobicContact CD2-CG 4.21Å; L123-F132 HydrophobicContact CG-CD2 4.21Å; F124-F132 CarbonylContact O-C 3.57Å; F124-F132 WeakPolarHBondContact O-CA 3.44Å; I125-F132 HydrophobicContact CG1-CB 4.05Å; F132-V139 HydrophobicContact CE2-CG1 4.12Å; F132-E140 WeakPolarHBondContact O-CA 3.39Å; F132-E140 WeakPolarHBondContact O-CB 3.26Å; F132-G141 WeakPolarHBondContact CD1-O 3.44Å; F132-G141 VanDerWaalsContact CE1-C 3.48Å; F132-G141 VanDerWaalsContact CE1-CA 3.44Å; F132-G141 PolarHBondContact N-O 3.06Å; F132-G141 PolarHBondContact O-N 3.41Å; F132-S142 VanDerWaalsContact CD1-O 3.31Å; F132-S142 WeakPolarHBondContact CD1-O 3.31Å; F132-S142 VanDerWaalsContact CE1-O 3.25Å; F132-S142 WeakPolarHBondContact CE1-O 3.2Å; F132-D145 HydrophobicContact CE1-CB 4.27Å; F132-L146 HydrophobicContact CB-CD2 4.23Å; F132-L146 HydrophobicContact CD1-CB 3.63Å; F132-L146 HydrophobicContact CD1-CD1 4.44Å; F132-L146 HydrophobicContact CD1-CD2 4.19Å; F132-L146 HydrophobicContact CD1-CG 4.31Å; F132-L146 HydrophobicContact CE1-CB 3.71Å; F132-L146 HydrophobicContact CG-CB 4.42Å; F132-L146 HydrophobicContact CG-CD2 4.25Å; F132-L166 HydrophobicContact CE2-CD1 4.07Å; F132-L166 HydrophobicContact CZ-CD1 3.56Å; F132-L166 HydrophobicContact CZ-CD2 4.16Å
133	L	88.4	Confident	86.6	Confident	11 Å²	11	30.4 Å²	30.4	6%	0.058	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	124.3	172.8	175.1	66.3	0	0	0	109.5	F124 E140 P328 Y329	F124-L133 PolarHBondContact N-O 3.37Å; F124-L133 PolarHBondContact O-N 3.19Å; L133-E140 HydrophobicContact CD1-CB 4.08Å; L133-P328 HydrophobicContact CB-CG 4.19Å; L133-P328 HydrophobicContact CD2-CB 3.97Å; L133-P328 HydrophobicContact CD2-CG 4.02Å; L133-Y329 HydrophobicContact CD2-CD2 4.49Å; L133-Y329 HydrophobicContact CD2-CE2 3.72Å
134	C	87.3	Confident	86.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.9	168.2	-178.2	0	0	0	0	109.8	S109 F111 S122 L123 D136 T137 L138 V139	S109-C134 PolarHBondContact OG-SG 3.09Å; F111-C134 HydrophobicContact CD2-CB 3.9Å; F111-C134 HydrophobicContact CE2-CB 4.38Å; S122-C134 WeakPolarHBondContact O-CA 3.21Å; L123-C134 HydrophobicContact CG-CB 4.42Å; C134-D136 VanDerWaalsContact C-N 3.31Å; C134-D136 PolarHBondContact O-N 3.07Å; C134-T137 WeakPolarHBondContact CB-OG1 3.45Å; C134-T137 PolarHBondContact SG-OG1 3.34Å; C134-L138 WeakPolarHBondContact O-CA 3.35Å; C134-L138 PolarHBondContact O-N 3.42Å; C134-V139 HydrophobicContact CB-CB 4.45Å; C134-V139 PolarHBondContact N-O 2.91Å
135	K	82.9	Confident	86.2	Confident	46 Å²	46	36.8 Å²	36.8	20%	0.2	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.5	-178.6	-74.7	-172.2	-175.9	173.1	0	114.2	S122 F124 P328 Y329	S122-K135 PolarHBondContact O-N 3.41Å; F124-K135 HydrophobicContact CD2-CD 4.12Å; F124-K135 HydrophobicContact CD2-CG 3.9Å; F124-K135 HydrophobicContact CE2-CB 4.32Å; F124-K135 HydrophobicContact CE2-CD 3.45Å; F124-K135 VanDerWaalsContact CE2-CD 3.45Å; F124-K135 VanDerWaalsContact CE2-CE 3.44Å; F124-K135 HydrophobicContact CE2-CG 3.63Å; F124-K135 HydrophobicContact CZ-CD 4.05Å; K135-P328 VanDerWaalsContact CE-C 3.41Å; K135-P328 WeakPolarHBondContact CE-O 3.47Å; K135-P328 PolarHBondContact NZ-O 2.88Å; K135-Y329 HydrophobicContact CD-CD1 4.48Å; K135-Y329 HydrophobicContact CG-CE1 4.39Å
136	D	81.1	Confident	86	Confident	43 Å²	43	36.8 Å²	36.8	23%	0.23	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-35.1	-176.5	-66.3	-34.4	0	0	0	111.7	I112 S122 C134 P243 R287	I112-D136 HydrophobicContact CD1-CB 3.29Å; I112-D136 WeakPolarHBondContact CD1-OD2 3.4Å; I112-D136 HydrophobicContact CG1-CB 4.38Å; S122-D136 WeakPolarHBondContact CB-OD2 3.34Å; S122-D136 PolarHBondContact OG-OD2 2.68Å; C134-D136 VanDerWaalsContact C-N 3.31Å; C134-D136 PolarHBondContact O-N 3.07Å; D136-P243 WeakPolarHBondContact O-CG 2.88Å; D136-R287 IonicContact OD1-NH2 2.85Å
137	T	80	Confident	85.9	Confident	39 Å²	39	38.8 Å²	38.8	24%	0.239	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-10.2	-179.6	61.1	0	0	0	0	113.7	F111 I112 C134 V139 P163	F111-T137 HydrophobicContact CB-CG2 3.79Å; I112-T137 HydrophobicContact CG1-CG2 3.89Å; C134-T137 WeakPolarHBondContact CB-OG1 3.45Å; C134-T137 PolarHBondContact SG-OG1 3.34Å; T137-V139 PolarHBondContact O-N 3.21Å; T137-V139 VanDerWaalsContact OG1-CG2 3.29Å; T137-V139 WeakPolarHBondContact OG1-CG2 3.33Å; T137-P163 HydrophobicContact CG2-CG 4.04Å
138	L	79.7	Confident	85.8	Confident	54 Å²	54	41.7 Å²	41.7	28%	0.283	22%	0.221	S	C	.	.			trans	59.5	13.7	-171.2	-55.5	-179.8	0	0	0	115	C134 E140	C134-L138 WeakPolarHBondContact O-CA 3.35Å; C134-L138 PolarHBondContact O-N 3.42Å; L138-E140 PolarHBondContact O-N 2.91Å
139	V	82.5	Confident	85.8	Confident	16 Å²	16	38.5 Å²	38.5	10%	0.097	20%	0.202	C	C	.	.			trans	-70.9	127.8	176.6	177	0	0	0	0	108.9	F111 F132 C134 T137 P163 L166	F111-V139 HydrophobicContact CD2-CB 4.13Å; F111-V139 HydrophobicContact CD2-CG1 4.25Å; F111-V139 HydrophobicContact CE1-CG1 4.3Å; F111-V139 HydrophobicContact CE2-CB 4.23Å; F111-V139 HydrophobicContact CE2-CG1 3.93Å; F111-V139 HydrophobicContact CG-CB 4.5Å; F111-V139 HydrophobicContact CG-CG2 4.48Å; F111-V139 HydrophobicContact CZ-CG1 3.97Å; F132-V139 HydrophobicContact CE2-CG1 4.12Å; C134-V139 HydrophobicContact CB-CB 4.45Å; C134-V139 PolarHBondContact N-O 2.91Å; T137-V139 PolarHBondContact O-N 3.21Å; T137-V139 VanDerWaalsContact OG1-CG2 3.29Å; T137-V139 WeakPolarHBondContact OG1-CG2 3.33Å; V139-P163 HydrophobicContact CG2-CB 3.67Å; V139-L166 HydrophobicContact CG1-CB 4.25Å; V139-L166 HydrophobicContact CG1-CD1 3.22Å; V139-L166 HydrophobicContact CG1-CG 4.37Å
140	E	85	Confident	85.9	Confident	125 Å²	125	38 Å²	38	58%	0.584	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.1	175.4	62.5	-178.2	-162.3	0	0	110.8	F132 L133 L138	F132-E140 WeakPolarHBondContact O-CA 3.39Å; F132-E140 WeakPolarHBondContact O-CB 3.26Å; L133-E140 HydrophobicContact CD1-CB 4.08Å; L138-E140 PolarHBondContact O-N 2.91Å
141	G	84.9	Confident	85.9	Confident	18 Å²	18	41.5 Å²	41.5	19%	0.186	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	176.5	-179.4	0	0	0	0	0	112.7	Q131 F132	Q131-G141 WeakPolarHBondContact CA-O 3.43Å; F132-G141 WeakPolarHBondContact CD1-O 3.44Å; F132-G141 VanDerWaalsContact CE1-C 3.48Å; F132-G141 VanDerWaalsContact CE1-CA 3.44Å; F132-G141 PolarHBondContact N-O 3.06Å; F132-G141 PolarHBondContact O-N 3.41Å
142	S	86.7	Confident	85.8	Confident	39 Å²	39	40.2 Å²	40.2	27%	0.273	21%	0.212	S	C	.	.			trans	-77.4	169.4	175.2	75.7	0	0	0	0	111.8	F132 E144 D145 L146	F132-S142 VanDerWaalsContact CD1-O 3.31Å; F132-S142 WeakPolarHBondContact CD1-O 3.31Å; F132-S142 VanDerWaalsContact CE1-O 3.25Å; F132-S142 WeakPolarHBondContact CE1-O 3.2Å; S142-E144 VanDerWaalsContact C-N 3.28Å; S142-E144 PolarHBondContact O-N 2.78Å; S142-E144 PolarHBondContact OG-N 3.46Å; S142-D145 WeakPolarHBondContact CA-OD2 3.39Å; S142-D145 VanDerWaalsContact CB-OD2 3.25Å; S142-D145 WeakPolarHBondContact CB-OD2 3.42Å; S142-D145 PolarHBondContact N-OD2 2.81Å; S142-D145 PolarHBondContact O-N 3.34Å; S142-D145 PolarHBondContact OG-N 2.88Å; S142-D145 PolarHBondContact OG-OD2 3.14Å; S142-L146 PolarHBondContact O-N 2.82Å
143	W	88.3	Confident	85.6	Confident	15 Å²	15	41.1 Å²	41.1	6%	0.057	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-38.9	173.6	177.1	-112.6	0	0	0	112.2	I82 I87 Y90 L91 I125 G130 D145 L146 Q147	I82-W143 HydrophobicContact CD1-CB 3.59Å; I82-W143 VanDerWaalsContact CD1-CD1 3.48Å; I82-W143 HydrophobicContact CD1-CG 3.76Å; I82-W143 HydrophobicContact CG2-CG 4.42Å; I87-W143 HydrophobicContact CB-CH2 4.21Å; I87-W143 HydrophobicContact CB-CZ2 4.36Å; I87-W143 HydrophobicContact CB-CZ3 4.48Å; I87-W143 HydrophobicContact CG1-CD2 4.19Å; I87-W143 HydrophobicContact CG1-CE3 4.28Å; I87-W143 HydrophobicContact CG1-CH2 4.3Å; I87-W143 HydrophobicContact CG1-CZ2 4.17Å; I87-W143 HydrophobicContact CG1-CZ3 4.34Å; I87-W143 HydrophobicContact CG2-CE3 4.36Å; I87-W143 HydrophobicContact CG2-CH2 3.65Å; I87-W143 HydrophobicContact CG2-CZ2 4.28Å; I87-W143 HydrophobicContact CG2-CZ3 3.68Å; Y90-W143 AromaticContact CD1-CH2 3.89Å; Y90-W143 HydrophobicContact CD1-CH2 3.89Å; Y90-W143 AromaticContact CD1-CZ2 3.8Å; Y90-W143 HydrophobicContact CD1-CZ2 3.8Å; Y90-W143 HydrophobicContact CG-CH2 4.42Å; Y90-W143 AromaticContact CG-CZ2 3.95Å; Y90-W143 HydrophobicContact CG-CZ2 3.95Å; L91-W143 HydrophobicContact CD2-CH2 4.44Å; L91-W143 HydrophobicContact CG-CH2 4.49Å; I125-W143 HydrophobicContact CD1-CZ3 4.11Å; I125-W143 HydrophobicContact CG2-CE3 4.17Å; I125-W143 HydrophobicContact CG2-CZ3 4.31Å; G130-W143 WeakPolarHBondContact O-CA 3.48Å; G130-W143 WeakPolarHBondContact O-CB 3.47Å; G130-W143 PolarHBondContact O-N 3.49Å; W143-D145 VanDerWaalsContact C-N 3.32Å; W143-D145 PolarHBondContact O-N 3.12Å; W143-L146 HydrophobicContact CE3-CD2 4.06Å; W143-L146 HydrophobicContact CZ3-CD2 3.76Å; W143-L146 PolarHBondContact O-N 3.19Å; W143-Q147 HydrophobicContact CD2-CG 4.28Å; W143-Q147 HydrophobicContact CZ2-CG 3.9Å; W143-Q147 WeakPolarHBondContact O-CG 3.49Å; W143-Q147 PolarHBondContact O-N 3.07Å
144	E	87.5	Confident	85.3	Confident	86 Å²	86	45.3 Å²	45.3	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-44.9	178	-64.9	177.1	-179	0	0	110.3	S142 L146 Q147 D148	S142-E144 VanDerWaalsContact C-N 3.28Å; S142-E144 PolarHBondContact O-N 2.78Å; S142-E144 PolarHBondContact OG-N 3.46Å; E144-L146 VanDerWaalsContact C-N 3.27Å; E144-L146 PolarHBondContact O-N 2.99Å; E144-Q147 WeakPolarHBondContact O-CB 3.37Å; E144-Q147 PolarHBondContact O-N 2.75Å; E144-Q147 VanDerWaalsContact O-N 3.09Å; E144-D148 PolarHBondContact O-N 3.39Å
145	D	87.2	Confident	85.2	Confident	62 Å²	62	52 Å²	52	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-37.3	178.5	-54.9	-45.3	0	0	0	112.1	F132 S142 W143 C149 L166	F132-D145 HydrophobicContact CE1-CB 4.27Å; S142-D145 WeakPolarHBondContact CA-OD2 3.39Å; S142-D145 VanDerWaalsContact CB-OD2 3.25Å; S142-D145 WeakPolarHBondContact CB-OD2 3.42Å; S142-D145 PolarHBondContact N-OD2 2.81Å; S142-D145 PolarHBondContact O-N 3.34Å; S142-D145 PolarHBondContact OG-N 2.88Å; S142-D145 PolarHBondContact OG-OD2 3.14Å; W143-D145 VanDerWaalsContact C-N 3.32Å; W143-D145 PolarHBondContact O-N 3.12Å; D145-C149 WeakPolarHBondContact O-CB 3.21Å; D145-C149 PolarHBondContact O-N 3.41Å; D145-C149 PolarHBondContact O-SG 3.38Å; D145-L166 HydrophobicContact CB-CD2 3.43Å; D145-L166 VanDerWaalsContact CB-CD2 3.43Å
146	L	88.1	Confident	85.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-40.6	175.2	-174.8	58.6	0	0	0	111.9	I110 L123 I125 F132 S142 W143 E144 D148 C149 L150	I110-L146 HydrophobicContact CD1-CD1 3.59Å; L123-L146 HydrophobicContact CD1-CD1 4.33Å; L123-L146 HydrophobicContact CD2-CD2 4.32Å; I125-L146 HydrophobicContact CD1-CD2 3.72Å; I125-L146 HydrophobicContact CG1-CD2 3.83Å; F132-L146 HydrophobicContact CB-CD2 4.23Å; F132-L146 HydrophobicContact CD1-CB 3.63Å; F132-L146 HydrophobicContact CD1-CD1 4.44Å; F132-L146 HydrophobicContact CD1-CD2 4.19Å; F132-L146 HydrophobicContact CD1-CG 4.31Å; F132-L146 HydrophobicContact CE1-CB 3.71Å; F132-L146 HydrophobicContact CG-CB 4.42Å; F132-L146 HydrophobicContact CG-CD2 4.25Å; S142-L146 PolarHBondContact O-N 2.82Å; W143-L146 HydrophobicContact CE3-CD2 4.06Å; W143-L146 HydrophobicContact CZ3-CD2 3.76Å; W143-L146 PolarHBondContact O-N 3.19Å; E144-L146 VanDerWaalsContact C-N 3.27Å; E144-L146 PolarHBondContact O-N 2.99Å; L146-D148 VanDerWaalsContact C-N 3.32Å; L146-C149 PolarHBondContact O-N 3.21Å; L146-L150 HydrophobicContact CD1-CD1 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.42Å; L146-L150 HydrophobicContact CG-CD1 4.2Å; L146-L150 WeakPolarHBondContact O-CB 3.29Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.09Å; L146-L150 PolarHBondContact O-N 3.21Å
147	Q	88.9	Confident	85	Confident	48 Å²	48	61 Å²	61	22%	0.224	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-44.7	175.6	-68.4	-178.2	-69.7	0	0	110.6	Y90 W143 E144 L150 E151	Y90-Q147 HydrophobicContact CE1-CG 3.99Å; Y90-Q147 HydrophobicContact CE2-CG 4.23Å; W143-Q147 HydrophobicContact CD2-CG 4.28Å; W143-Q147 HydrophobicContact CZ2-CG 3.9Å; W143-Q147 WeakPolarHBondContact O-CG 3.49Å; W143-Q147 PolarHBondContact O-N 3.07Å; E144-Q147 WeakPolarHBondContact O-CB 3.37Å; E144-Q147 PolarHBondContact O-N 2.75Å; E144-Q147 VanDerWaalsContact O-N 3.09Å; Q147-L150 PolarHBondContact O-N 2.94Å; Q147-E151 WeakPolarHBondContact O-CG 3.37Å; Q147-E151 PolarHBondContact O-N 3.03Å
148	D	87.1	Confident	84.9	Confident	96 Å²	96	63.5 Å²	63.5	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-45.8	176.9	-75.9	-13.7	0	0	0	111.5	E144 L146 L150 E151 V152	E144-D148 PolarHBondContact O-N 3.39Å; L146-D148 VanDerWaalsContact C-N 3.32Å; D148-L150 VanDerWaalsContact C-N 3.35Å; D148-L150 PolarHBondContact O-N 3.02Å; D148-E151 PolarHBondContact O-N 3.42Å; D148-V152 WeakPolarHBondContact O-CG2 3.3Å; D148-V152 PolarHBondContact O-N 2.94Å
149	C	86.9	Confident	84.6	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-56.3	-48.2	174.7	-72.9	0	0	0	0	111.9	I110 D145 L146 E151 V152 M153 L161	I110-C149 HydrophobicContact CD1-CB 3.74Å; D145-C149 WeakPolarHBondContact O-CB 3.21Å; D145-C149 PolarHBondContact O-N 3.41Å; D145-C149 PolarHBondContact O-SG 3.38Å; L146-C149 PolarHBondContact O-N 3.21Å; C149-E151 VanDerWaalsContact C-N 3.31Å; C149-E151 PolarHBondContact O-N 3.34Å; C149-V152 PolarHBondContact O-N 2.94Å; C149-M153 WeakPolarHBondContact O-CG 3.33Å; C149-M153 PolarHBondContact O-N 3.28Å; C149-L161 HydrophobicContact CB-CD1 3.65Å; C149-L161 WeakPolarHBondContact O-CD1 3.34Å
150	L	87.1	Confident	84.4	Confident	9 Å²	9	66.7 Å²	66.7	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-65.9	-34.1	180	-69.6	173.8	0	0	0	112.4	Y90 I96 I110 L146 Q147 D148 M153 Q154	Y90-L150 HydrophobicContact CE1-CD1 4.01Å; I96-L150 HydrophobicContact CD1-CD1 3.57Å; I96-L150 HydrophobicContact CD1-CD2 3.54Å; I96-L150 HydrophobicContact CD1-CG 4.15Å; I110-L150 HydrophobicContact CD1-CD2 4.33Å; I110-L150 HydrophobicContact CG2-CD2 3.93Å; L146-L150 HydrophobicContact CD1-CD1 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.42Å; L146-L150 HydrophobicContact CG-CD1 4.2Å; L146-L150 WeakPolarHBondContact O-CB 3.29Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.09Å; L146-L150 PolarHBondContact O-N 3.21Å; Q147-L150 PolarHBondContact O-N 2.94Å; D148-L150 VanDerWaalsContact C-N 3.35Å; D148-L150 PolarHBondContact O-N 3.02Å; L150-M153 HydrophobicContact CD2-SD 4.39Å; L150-Q154 WeakPolarHBondContact O-CG 3.42Å; L150-Q154 PolarHBondContact O-N 2.94Å
151	E	87.2	Confident	84.2	Confident	73 Å²	73	61.2 Å²	61.2	34%	0.341	31%	0.312	S	S	.	.	H	α-helix	trans	-69.7	-38.6	174.4	-75.5	-167.8	-170.9	0	0	113.2	Q147 D148 C149 Q154 K155	Q147-E151 WeakPolarHBondContact O-CG 3.37Å; Q147-E151 PolarHBondContact O-N 3.03Å; D148-E151 PolarHBondContact O-N 3.42Å; C149-E151 VanDerWaalsContact C-N 3.31Å; C149-E151 PolarHBondContact O-N 3.34Å; E151-Q154 PolarHBondContact O-N 3.15Å; E151-K155 VanDerWaalsContact O-CG 3.31Å; E151-K155 WeakPolarHBondContact O-CG 3.26Å; E151-K155 PolarHBondContact O-N 3.3Å; E151-K155 IonicContact OE2-NZ 3.28Å; E151-K155 PolarHBondContact OE2-NZ 3.35Å
152	V	85.6	Confident	83.7	Confident	55 Å²	55	63.2 Å²	63.2	33%	0.333	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-47.3	175.5	171.7	0	0	0	0	110.1	D148 C149 Q154 K155 D156 L161	D148-V152 WeakPolarHBondContact O-CG2 3.3Å; D148-V152 PolarHBondContact O-N 2.94Å; C149-V152 PolarHBondContact O-N 2.94Å; V152-Q154 VanDerWaalsContact C-N 3.27Å; V152-Q154 PolarHBondContact O-N 3.35Å; V152-K155 PolarHBondContact O-N 2.59Å; V152-K155 VanDerWaalsContact O-N 3.12Å; V152-D156 PolarHBondContact O-N 2.97Å; V152-L161 HydrophobicContact CG1-CD2 4.17Å
153	M	84.3	Confident	83	Confident	22 Å²	22	63.7 Å²	63.7	11%	0.108	33%	0.325	C	S	.	.	H	α-helix	trans	-55.2	-42.5	176.4	-72.9	176.7	74.3	0	0	112.8	I110 C149 L150 E157 Q158 D159 L161	I110-M153 HydrophobicContact CB-CE 4.08Å; I110-M153 HydrophobicContact CB-SD 3.63Å; I110-M153 HydrophobicContact CD1-SD 4.19Å; I110-M153 HydrophobicContact CG1-SD 4.44Å; I110-M153 HydrophobicContact CG2-CE 4.21Å; I110-M153 HydrophobicContact CG2-SD 3.91Å; C149-M153 WeakPolarHBondContact O-CG 3.33Å; C149-M153 PolarHBondContact O-N 3.28Å; L150-M153 HydrophobicContact CD2-SD 4.39Å; M153-E157 PolarHBondContact O-N 3.46Å; M153-E157 VanDerWaalsContact O-N 3.11Å; M153-Q158 WeakPolarHBondContact CE-O 3.46Å; M153-Q158 PolarHBondContact O-N 3.17Å; M153-D159 VanDerWaalsContact CE-C 3.46Å; M153-D159 VanDerWaalsContact CE-O 3.28Å; M153-D159 WeakPolarHBondContact CE-O 3.42Å; M153-L161 HydrophobicContact CG-CD1 3.6Å; M153-L161 HydrophobicContact CG-CD2 3.95Å; M153-L161 HydrophobicContact CG-CG 3.45Å; M153-L161 VanDerWaalsContact CG-CG 3.45Å; M153-L161 HydrophobicContact SD-CD1 3.98Å; M153-L161 HydrophobicContact SD-CG 3.99Å
154	Q	83.6	Confident	81.9	Confident	100 Å²	100	69.8 Å²	69.8	47%	0.467	35%	0.354	S	S	.	.	H	α-helix	trans	-71.3	-34.7	178.9	-74.8	-174.6	-16.6	0	0	113.4	K94 L150 E151 V152	K94-Q154 VanDerWaalsContact CD-OE1 3.25Å; L150-Q154 WeakPolarHBondContact O-CG 3.42Å; L150-Q154 PolarHBondContact O-N 2.94Å; E151-Q154 PolarHBondContact O-N 3.15Å; V152-Q154 VanDerWaalsContact C-N 3.27Å; V152-Q154 PolarHBondContact O-N 3.35Å
155	K	83.9	Confident	80.8	Confident	139 Å²	139	69.3 Å²	69.3	60%	0.604	36%	0.356	S	S	*	.	H	α-helix	trans	-72	-37.8	178.1	-76.4	169.4	-172.3	148.2	0	112	E151 V152	E151-K155 VanDerWaalsContact O-CG 3.31Å; E151-K155 WeakPolarHBondContact O-CG 3.26Å; E151-K155 PolarHBondContact O-N 3.3Å; E151-K155 IonicContact OE2-NZ 3.28Å; E151-K155 PolarHBondContact OE2-NZ 3.35Å; V152-K155 PolarHBondContact O-N 2.59Å; V152-K155 VanDerWaalsContact O-N 3.12Å
156	D	82.2	Confident	79.5	Confident	95 Å²	95	68 Å²	68	51%	0.508	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.2	-175	-64.7	-11.5	0	0	0	112.9	V152 Q158	V152-D156 PolarHBondContact O-N 2.97Å; D156-Q158 HydrophobicContact CB-CG 4.01Å; D156-Q158 PolarHBondContact O-N 2.69Å
157	E	78.6	Confident	77.7	Confident	183 Å²	183	74.5 Å²	74.5	86%	0.855	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.4	-175.8	-61.3	-177.3	173.3	0	0	112.7	M153	M153-E157 PolarHBondContact O-N 3.46Å; M153-E157 VanDerWaalsContact O-N 3.11Å
158	Q	78.6	Confident	76.1	Confident	93 Å²	93	74.8 Å²	74.8	44%	0.435	40%	0.4	S	S	.	.			trans	-98.9	136.3	-179.4	-70.1	177.8	17.2	0	0	111.8	M153 D156	M153-Q158 WeakPolarHBondContact CE-O 3.46Å; M153-Q158 PolarHBondContact O-N 3.17Å; D156-Q158 HydrophobicContact CB-CG 4.01Å; D156-Q158 PolarHBondContact O-N 2.69Å
159	D	72	Confident	74.2	Confident	115 Å²	115	76.2 Å²	76.2	62%	0.615	40%	0.399	S	S	*	.	S	Bend	trans	-80.5	-17.9	178.1	-73	-34.3	0	0	0	113.8	A114 R117 M153	A114-D159 HydrophobicContact CB-CB 4.34Å; R117-D159 PolarHBondContact NH2-O 3.1Å; M153-D159 VanDerWaalsContact CE-C 3.46Å; M153-D159 VanDerWaalsContact CE-O 3.28Å; M153-D159 WeakPolarHBondContact CE-O 3.42Å
160	S	79.6	Confident	72.5	Confident	22 Å²	22	81.2 Å²	81.2	15%	0.154	43%	0.431	C	S	.	.			trans	-149.3	153.8	-178	54.8	0	0	0	0	111.4	I110 D113	I110-S160 CarbonylContact O-C 3.6Å; I110-S160 WeakPolarHBondContact O-CA 3.37Å; D113-S160 WeakPolarHBondContact OD1-CB 3.46Å; D113-S160 PolarHBondContact OD1-OG 3.14Å
161	L	80.7	Confident	71.2	Confident	10 Å²	10	85.9 Å²	85.9	5%	0.052	45%	0.452	C	S	.	.			trans	-113.2	151.3	171.2	-70.4	173.3	0	0	0	110.9	I110 F111 C149 V152 M153 V165	I110-L161 PolarHBondContact O-N 3.15Å; F111-L161 WeakPolarHBondContact CA-O 3.32Å; F111-L161 HydrophobicContact CD1-CB 4.32Å; C149-L161 HydrophobicContact CB-CD1 3.65Å; C149-L161 WeakPolarHBondContact O-CD1 3.34Å; V152-L161 HydrophobicContact CG1-CD2 4.17Å; M153-L161 HydrophobicContact CG-CD1 3.6Å; M153-L161 HydrophobicContact CG-CD2 3.95Å; M153-L161 HydrophobicContact CG-CG 3.45Å; M153-L161 VanDerWaalsContact CG-CG 3.45Å; M153-L161 HydrophobicContact SD-CD1 3.98Å; M153-L161 HydrophobicContact SD-CG 3.99Å; L161-V165 HydrophobicContact CB-CG2 4.43Å
162	S	74.6	Confident	70.5	Confident	59 Å²	59	84.9 Å²	84.9	41%	0.413	45%	0.453	S	S	.	.			trans	-63	136.5	168.2	167.7	0	0	0	0	110.1	H164 V165	S162-H164 PolarHBondContact O-N 3.37Å; S162-H164 PolarHBondContact OG-N 3.17Å; S162-V165 WeakPolarHBondContact O-CB 3.33Å; S162-V165 VanDerWaalsContact O-CG2 3.25Å; S162-V165 WeakPolarHBondContact O-CG2 3.34Å; S162-V165 PolarHBondContact O-N 3.25Å
163	P	70.6	Confident	70.1	Confident	49 Å²	49	88.4 Å²	88.4	32%	0.318	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-53.2	-22.4	172.8	-28.2	35.7	0	0	0	114.4	F111 T137 V139 V165	F111-P163 HydrophobicContact CB-CG 4.39Å; T137-P163 HydrophobicContact CG2-CG 4.04Å; V139-P163 HydrophobicContact CG2-CB 3.67Å; P163-V165 VanDerWaalsContact C-N 3.34Å
164	H	66.3	Low	69.7	Low	143 Å²	143	94.9 Å²	94.9	66%	0.662	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-83.5	-4.1	-178.5	-58.3	-60.8	0	0	0	114.4	S162 L166	S162-H164 PolarHBondContact O-N 3.37Å; S162-H164 PolarHBondContact OG-N 3.17Å; H164-L166 PolarHBondContact O-N 3.28Å
165	V	64.3	Low	69.2	Low	76 Å²	76	94.6 Å²	94.6	46%	0.461	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-67.8	-26.2	-178.4	173.7	0	0	0	0	112.2	L161 S162 P163 L167	L161-V165 HydrophobicContact CB-CG2 4.43Å; S162-V165 WeakPolarHBondContact O-CB 3.33Å; S162-V165 VanDerWaalsContact O-CG2 3.25Å; S162-V165 WeakPolarHBondContact O-CG2 3.34Å; S162-V165 PolarHBondContact O-N 3.25Å; P163-V165 VanDerWaalsContact C-N 3.34Å; V165-L167 VanDerWaalsContact C-N 3.3Å; V165-L167 PolarHBondContact O-N 3.16Å
166	L	58.6	Low	68.8	Low	35 Å²	35	91.5 Å²	91.5	18%	0.183	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-86.1	8.5	-175.4	-86.6	158.6	0	0	0	115.4	F111 F132 V139 D145 H164 G168	F111-L166 HydrophobicContact CD1-CD1 4.48Å; F111-L166 HydrophobicContact CE1-CD1 3.39Å; F111-L166 HydrophobicContact CE1-CG 4.44Å; F111-L166 HydrophobicContact CE2-CD1 4.21Å; F111-L166 HydrophobicContact CZ-CD1 3.23Å; F132-L166 HydrophobicContact CE2-CD1 4.07Å; F132-L166 HydrophobicContact CZ-CD1 3.56Å; F132-L166 HydrophobicContact CZ-CD2 4.16Å; V139-L166 HydrophobicContact CG1-CB 4.25Å; V139-L166 HydrophobicContact CG1-CD1 3.22Å; V139-L166 HydrophobicContact CG1-CG 4.37Å; D145-L166 HydrophobicContact CB-CD2 3.43Å; D145-L166 VanDerWaalsContact CB-CD2 3.43Å; H164-L166 PolarHBondContact O-N 3.28Å; L166-G168 PolarHBondContact O-N 3.18Å
167	L	50.6	Low	68.8	Low	136 Å²	136	92.7 Å²	92.7	71%	0.712	49%	0.489	S	S	*	.			trans	-67.4	89.2	170.1	-65.1	170.7	0	0	0	108	V165	V165-L167 VanDerWaalsContact C-N 3.3Å; V165-L167 PolarHBondContact O-N 3.16Å
168	G	56.4	Low	69	Low	55 Å²	55	87.9 Å²	87.9	57%	0.567	47%	0.466	S	S	*	.			trans	-49	164.2	145.2	0	0	0	0	0	109.4	L166	L166-G168 PolarHBondContact O-N 3.18Å
169	Y	46.3	Very low	69	Low	126 Å²	126	85.8 Å²	85.8	49%	0.494	46%	0.46	S	S	.	.	S	Bend	trans	-20	124.8	-169.8	-67	-80.6	0	0	0	114.3	Y67 K68 K69 E171	Y67-Y169 PolarHBondContact O-OH 2.67Å; K68-Y169 WeakPolarHBondContact CA-OH 3.31Å; K69-Y169 HydrophobicContact CB-CE2 3.87Å; K69-Y169 PolarHBondContact N-OH 3.25Å; K69-Y169 WeakPolarHBondContact O-CE2 3.42Å; K69-Y169 PolarHBondContact O-OH 3.36Å; Y169-E171 PolarHBondContact O-N 3.29Å
170	P	52.4	Low	69.6	Low	110 Å²	110	86 Å²	86	71%	0.714	46%	0.457	S	S	*	.			trans	-48.9	125.4	176.7	20.8	-31	0	0	0	107.9	S172	P170-S172 PolarHBondContact O-N 2.87Å
171	E	59.5	Low	70	Confident	107 Å²	107	93 Å²	93	50%	0.5	48%	0.48	S	S	.	.			trans	-40.6	134.6	174.7	-72.3	173.5	169.9	0	0	108.1	Y169 E175 Q176	Y169-E171 PolarHBondContact O-N 3.29Å; E171-E175 HydrophobicContact CB-CB 4.24Å; E171-Q176 HydrophobicContact CB-CG 3.56Å
172	S	71.8	Confident	70.3	Confident	52 Å²	52	93.7 Å²	93.7	36%	0.364	48%	0.483	S	S	.	.			trans	-55.3	149.6	177.1	62.9	0	0	0	0	109.2	P170 E174 E175 Q176	P170-S172 PolarHBondContact O-N 2.87Å; S172-E174 PolarHBondContact O-N 2.84Å; S172-E175 PolarHBondContact N-OE2 2.85Å; S172-E175 PolarHBondContact O-N 2.9Å; S172-E175 WeakPolarHBondContact OG-CG 3.34Å; S172-E175 PolarHBondContact OG-N 2.84Å; S172-E175 PolarHBondContact OG-OE2 2.88Å; S172-Q176 PolarHBondContact O-N 2.89Å
173	L	76.6	Confident	70.8	Confident	130 Å²	130	95 Å²	95	68%	0.681	48%	0.483	S	S	*	.	H	α-helix	trans	-53.7	-32.9	178.9	-69.5	172.9	0	0	0	111.5	E177	L173-E177 WeakPolarHBondContact O-CB 3.31Å; L173-E177 VanDerWaalsContact O-CG 3.24Å; L173-E177 WeakPolarHBondContact O-CG 3.4Å; L173-E177 PolarHBondContact O-N 3.39Å
174	E	75.8	Confident	71.8	Confident	158 Å²	158	99.4 Å²	99.4	74%	0.738	49%	0.493	S	S	*	.	H	α-helix	trans	-64.7	-46.1	175.1	-64.7	177.7	-179	0	0	112.5	S172 E177 E178	S172-E174 PolarHBondContact O-N 2.84Å; E174-E177 PolarHBondContact O-N 2.94Å; E174-E178 PolarHBondContact O-N 2.62Å
175	E	73	Confident	73	Confident	94 Å²	94	96.8 Å²	96.8	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-65.6	-37.7	177.7	-73.9	161.9	158.1	0	0	112.2	E171 S172 E178 T179	E171-E175 HydrophobicContact CB-CB 4.24Å; S172-E175 PolarHBondContact N-OE2 2.85Å; S172-E175 PolarHBondContact O-N 2.9Å; S172-E175 WeakPolarHBondContact OG-CG 3.34Å; S172-E175 PolarHBondContact OG-N 2.84Å; S172-E175 PolarHBondContact OG-OE2 2.88Å; E175-E178 PolarHBondContact O-N 2.63Å; E175-T179 WeakPolarHBondContact O-CB 3.29Å; E175-T179 PolarHBondContact O-N 3.04Å; E175-T179 PolarHBondContact O-OG1 3.44Å
176	Q	76.1	Confident	74.3	Confident	73 Å²	73	93.3 Å²	93.3	34%	0.341	46%	0.46	S	S	.	.	H	α-helix	trans	-65.4	-47.2	175.1	-68.8	-178.5	-20.4	0	0	111	E171 S172 E178 T179 E180	E171-Q176 HydrophobicContact CB-CG 3.56Å; S172-Q176 PolarHBondContact O-N 2.89Å; Q176-E178 VanDerWaalsContact C-N 3.33Å; Q176-E178 PolarHBondContact O-N 2.65Å; Q176-T179 PolarHBondContact O-N 3.48Å; Q176-E180 WeakPolarHBondContact O-CB 3.46Å; Q176-E180 WeakPolarHBondContact O-CG 3.25Å; Q176-E180 PolarHBondContact O-N 2.93Å
177	E	82.8	Confident	75.9	Confident	120 Å²	120	98.2 Å²	98.2	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-62.4	-38.1	177	-76.7	179.9	-172.6	0	0	112.4	L173 E174 R181	L173-E177 WeakPolarHBondContact O-CB 3.31Å; L173-E177 VanDerWaalsContact O-CG 3.24Å; L173-E177 WeakPolarHBondContact O-CG 3.4Å; L173-E177 PolarHBondContact O-N 3.39Å; E174-E177 PolarHBondContact O-N 2.94Å; E177-R181 VanDerWaalsContact O-CB 3.24Å; E177-R181 WeakPolarHBondContact O-CB 3.23Å; E177-R181 PolarHBondContact O-N 3.46Å
178	E	81.7	Confident	77.9	Confident	83 Å²	83	97 Å²	97	39%	0.388	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-49	174.3	-170.7	173	-165.5	0	0	111	E174 E175 Q176 E180 R181 E182 K272	E174-E178 PolarHBondContact O-N 2.62Å; E175-E178 PolarHBondContact O-N 2.63Å; Q176-E178 VanDerWaalsContact C-N 3.33Å; Q176-E178 PolarHBondContact O-N 2.65Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-E180 PolarHBondContact O-N 3.06Å; E178-R181 WeakPolarHBondContact O-CB 3.41Å; E178-R181 PolarHBondContact O-N 2.7Å; E178-R181 VanDerWaalsContact O-N 3.13Å; E178-E182 WeakPolarHBondContact O-CG 3.36Å; E178-E182 PolarHBondContact O-N 3.38Å; E178-K272 IonicContact OE1-NZ 2.78Å; E178-K272 PolarHBondContact OE1-NZ 3.5Å
179	T	79.7	Confident	79.6	Confident	49 Å²	49	95.2 Å²	95.2	30%	0.301	44%	0.444	S	S	.	.	H	α-helix	trans	-60.4	-43.6	179	-59.7	0	0	0	0	111.7	E175 Q176 R181 E182 Q183	E175-T179 WeakPolarHBondContact O-CB 3.29Å; E175-T179 PolarHBondContact O-N 3.04Å; E175-T179 PolarHBondContact O-OG1 3.44Å; Q176-T179 PolarHBondContact O-N 3.48Å; T179-R181 VanDerWaalsContact C-N 3.33Å; T179-R181 PolarHBondContact O-N 3.03Å; T179-E182 PolarHBondContact O-N 3.01Å; T179-Q183 WeakPolarHBondContact O-CB 3.26Å; T179-Q183 VanDerWaalsContact O-CG 3.26Å; T179-Q183 WeakPolarHBondContact O-CG 3.47Å; T179-Q183 PolarHBondContact O-N 3.14Å
180	E	85.1	Confident	81.9	Confident	120 Å²	120	91.2 Å²	91.2	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-64.5	-38	176.5	-75.7	-171.8	175.7	0	0	112.5	Q176 E178 R184	Q176-E180 WeakPolarHBondContact O-CB 3.46Å; Q176-E180 WeakPolarHBondContact O-CG 3.25Å; Q176-E180 PolarHBondContact O-N 2.93Å; E178-E180 VanDerWaalsContact C-N 3.35Å; E178-E180 PolarHBondContact O-N 3.06Å; E180-R184 WeakPolarHBondContact O-CB 3.19Å; E180-R184 PolarHBondContact O-N 3.2Å
181	R	86.8	Confident	83.8	Confident	169 Å²	169	90.4 Å²	90.4	64%	0.638	43%	0.425	S	S	*	.	H	α-helix	trans	-64.2	-49.8	175.6	-179.9	-167.8	-58.3	-98	-0.1	111	E177 E178 T179 Q183 R184 E185	E177-R181 VanDerWaalsContact O-CB 3.24Å; E177-R181 WeakPolarHBondContact O-CB 3.23Å; E177-R181 PolarHBondContact O-N 3.46Å; E178-R181 WeakPolarHBondContact O-CB 3.41Å; E178-R181 PolarHBondContact O-N 2.7Å; E178-R181 VanDerWaalsContact O-N 3.13Å; T179-R181 VanDerWaalsContact C-N 3.33Å; T179-R181 PolarHBondContact O-N 3.03Å; R181-Q183 VanDerWaalsContact C-N 3.35Å; R181-Q183 PolarHBondContact O-N 2.76Å; R181-R184 WeakPolarHBondContact O-CB 3.43Å; R181-R184 PolarHBondContact O-N 3.18Å; R181-R184 VanDerWaalsContact O-N 3.14Å; R181-E185 PolarHBondContact O-N 3Å
182	E	87	Confident	85.5	Confident	23 Å²	23	88.1 Å²	88.1	11%	0.107	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-44.4	177.7	-70.2	-175.9	129.1	0	0	111	E178 T179 R184 E185 V186 P271 K272	E178-E182 WeakPolarHBondContact O-CG 3.36Å; E178-E182 PolarHBondContact O-N 3.38Å; T179-E182 PolarHBondContact O-N 3.01Å; E182-R184 VanDerWaalsContact C-N 3.28Å; E182-R184 PolarHBondContact O-N 2.9Å; E182-E185 WeakPolarHBondContact O-CB 3.44Å; E182-E185 PolarHBondContact O-N 3.33Å; E182-V186 VanDerWaalsContact O-CG2 3.31Å; E182-V186 WeakPolarHBondContact O-CG2 3.49Å; E182-V186 PolarHBondContact O-N 3.47Å; E182-P271 HydrophobicContact CB-CB 4.39Å; E182-P271 HydrophobicContact CB-CG 4.32Å; E182-P271 WeakPolarHBondContact OE2-CB 3.42Å; E182-K272 PolarHBondContact OE1-N 3.42Å
183	Q	86.3	Confident	86.6	Confident	87 Å²	87	85.8 Å²	85.8	41%	0.407	41%	0.405	S	S	.	.	H	α-helix	trans	-62.5	-35.4	175.8	-74.2	-177.8	17	0	0	112.8	T179 R181 R187	T179-Q183 WeakPolarHBondContact O-CB 3.26Å; T179-Q183 VanDerWaalsContact O-CG 3.26Å; T179-Q183 WeakPolarHBondContact O-CG 3.47Å; T179-Q183 PolarHBondContact O-N 3.14Å; R181-Q183 VanDerWaalsContact C-N 3.35Å; R181-Q183 PolarHBondContact O-N 2.76Å; Q183-R187 WeakPolarHBondContact O-CG 3.42Å; Q183-R187 PolarHBondContact O-N 2.96Å; Q183-R187 VanDerWaalsContact O-N 3.13Å; Q183-R187 PolarHBondContact O-NE 3.07Å
184	R	90.2	Very high	87.4	Confident	142 Å²	142	82.4 Å²	82.4	54%	0.536	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-46.8	174	-172.4	-174.8	-57.4	179.7	3.6	110.6	E180 R181 E182 V186 R187 E188	E180-R184 WeakPolarHBondContact O-CB 3.19Å; E180-R184 PolarHBondContact O-N 3.2Å; R181-R184 WeakPolarHBondContact O-CB 3.43Å; R181-R184 PolarHBondContact O-N 3.18Å; R181-R184 VanDerWaalsContact O-N 3.14Å; E182-R184 VanDerWaalsContact C-N 3.28Å; E182-R184 PolarHBondContact O-N 2.9Å; R184-V186 PolarHBondContact O-N 3.5Å; R184-R187 PolarHBondContact O-N 3.48Å; R184-R187 VanDerWaalsContact O-N 3.13Å; R184-E188 HydrophobicContact CG-CG 4.46Å; R184-E188 WeakPolarHBondContact CG-OE1 3.39Å; R184-E188 WeakPolarHBondContact O-CG 3.25Å; R184-E188 PolarHBondContact O-N 2.89Å
185	E	91.2	Very high	88.2	Confident	87 Å²	87	76.4 Å²	76.4	41%	0.407	36%	0.362	S	S	.	.	H	α-helix	trans	-58.6	-45.3	176.6	-177.7	177.1	-178.1	0	0	111.8	R181 E182 R187 E188 I189 V270	R181-E185 PolarHBondContact O-N 3Å; E182-E185 WeakPolarHBondContact O-CB 3.44Å; E182-E185 PolarHBondContact O-N 3.33Å; E185-R187 VanDerWaalsContact C-N 3.31Å; E185-R187 PolarHBondContact O-N 2.87Å; E185-E188 PolarHBondContact O-N 3.13Å; E185-I189 HydrophobicContact CG-CD1 3.69Å; E185-I189 HydrophobicContact CG-CG1 4.38Å; E185-I189 WeakPolarHBondContact O-CG1 3.27Å; E185-I189 PolarHBondContact O-N 3.48Å; E185-V270 HydrophobicContact CB-CG1 4.29Å; E185-V270 HydrophobicContact CG-CG1 4.15Å
186	V	91.4	Very high	89.1	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-55.3	-47.1	174.2	171.6	0	0	0	0	111	E182 R184 W190 L247 I250 V270	E182-V186 VanDerWaalsContact O-CG2 3.31Å; E182-V186 WeakPolarHBondContact O-CG2 3.49Å; E182-V186 PolarHBondContact O-N 3.47Å; R184-V186 PolarHBondContact O-N 3.5Å; V186-W190 WeakPolarHBondContact O-CB 3.36Å; V186-W190 PolarHBondContact O-N 2.77Å; V186-L247 HydrophobicContact CG1-CD2 3.7Å; V186-L247 HydrophobicContact CG1-CG 3.93Å; V186-I250 HydrophobicContact CG1-CG1 4.46Å; V186-I250 HydrophobicContact CG1-CG2 4.23Å; V186-I250 HydrophobicContact CG2-CG1 4.35Å; V186-V270 HydrophobicContact CG2-CB 4.03Å; V186-V270 HydrophobicContact CG2-CG1 3.66Å; V186-V270 WeakPolarHBondContact CG2-O 3.37Å
187	R	92.3	Very high	89.7	Confident	138 Å²	138	72.2 Å²	72.2	52%	0.521	35%	0.347	S	S	.	.	H	α-helix	trans	-65.7	-40.5	179.3	-73.8	-176.3	-70	-107.6	-0.7	112.2	Q183 R184 E185 S191	Q183-R187 WeakPolarHBondContact O-CG 3.42Å; Q183-R187 PolarHBondContact O-N 2.96Å; Q183-R187 VanDerWaalsContact O-N 3.13Å; Q183-R187 PolarHBondContact O-NE 3.07Å; R184-R187 PolarHBondContact O-N 3.48Å; R184-R187 VanDerWaalsContact O-N 3.13Å; E185-R187 VanDerWaalsContact C-N 3.31Å; E185-R187 PolarHBondContact O-N 2.87Å; R187-S191 VanDerWaalsContact O-CB 3.26Å; R187-S191 WeakPolarHBondContact O-CB 3.22Å; R187-S191 PolarHBondContact O-N 2.86Å; R187-S191 PolarHBondContact O-OG 2.94Å
188	E	93	Very high	90	Very high	112 Å²	112	71.7 Å²	71.7	52%	0.523	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-49.3	177.9	-74.4	175.4	-170.6	0	0	111.6	R184 E185 W190 S191 S192	R184-E188 HydrophobicContact CG-CG 4.46Å; R184-E188 WeakPolarHBondContact CG-OE1 3.39Å; R184-E188 WeakPolarHBondContact O-CG 3.25Å; R184-E188 PolarHBondContact O-N 2.89Å; E185-E188 PolarHBondContact O-N 3.13Å; E188-W190 VanDerWaalsContact C-N 3.34Å; E188-W190 PolarHBondContact O-N 2.85Å; E188-S191 PolarHBondContact O-N 3.01Å; E188-S191 PolarHBondContact O-OG 2.81Å; E188-S192 WeakPolarHBondContact O-CB 3.48Å; E188-S192 PolarHBondContact O-N 3.38Å; E188-S192 PolarHBondContact O-OG 2.92Å
189	I	93.2	Very high	90.4	Very high	16 Å²	16	68.3 Å²	68.3	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-42.6	177.8	-64.1	166.9	0	0	0	110.2	E185 S192 S193 F229 I250 L252	E185-I189 HydrophobicContact CG-CD1 3.69Å; E185-I189 HydrophobicContact CG-CG1 4.38Å; E185-I189 WeakPolarHBondContact O-CG1 3.27Å; E185-I189 PolarHBondContact O-N 3.48Å; I189-S192 WeakPolarHBondContact CA-OG 3.49Å; I189-S192 PolarHBondContact O-N 3.41Å; I189-S192 PolarHBondContact O-OG 2.84Å; I189-S192 VanDerWaalsContact O-OG 3.06Å; I189-S193 VanDerWaalsContact O-CB 3.29Å; I189-S193 WeakPolarHBondContact O-CB 3.34Å; I189-S193 PolarHBondContact O-N 3.05Å; I189-S193 PolarHBondContact O-OG 2.87Å; I189-F229 HydrophobicContact CG2-CD1 4.46Å; I189-F229 HydrophobicContact CG2-CD2 4.14Å; I189-F229 HydrophobicContact CG2-CE2 4.41Å; I189-F229 HydrophobicContact CG2-CG 4.2Å; I189-I250 HydrophobicContact CB-CD1 3.51Å; I189-I250 HydrophobicContact CD1-CD1 3.85Å; I189-I250 HydrophobicContact CG1-CD1 4.28Å; I189-I250 HydrophobicContact CG2-CD1 3.33Å; I189-L252 HydrophobicContact CD1-CD1 4.35Å; I189-L252 HydrophobicContact CG2-CD2 4.11Å
190	W	94.1	Very high	90.8	Very high	43 Å²	43	72.9 Å²	72.9	16%	0.163	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-43	179.8	-178.8	-109.6	0	0	0	113.2	V186 E188 S193 G225 R227 V236 P238 F240 L247 I250	V186-W190 WeakPolarHBondContact O-CB 3.36Å; V186-W190 PolarHBondContact O-N 2.77Å; E188-W190 VanDerWaalsContact C-N 3.34Å; E188-W190 PolarHBondContact O-N 2.85Å; W190-S193 PolarHBondContact O-N 3.17Å; W190-G225 VanDerWaalsContact CH2-O 3.31Å; W190-G225 WeakPolarHBondContact CH2-O 3.08Å; W190-R227 HydrophobicContact CH2-CG 4.13Å; W190-R227 VanDerWaalsContact CH2-NE 3.3Å; W190-R227 VanDerWaalsContact CZ2-NE 3.3Å; W190-R227 HydrophobicContact CZ3-CG 3.95Å; W190-R227 PolarHBondContact O-NH1 2.88Å; W190-V236 HydrophobicContact CE3-CG1 4.31Å; W190-P238 HydrophobicContact CE3-CB 4.32Å; W190-P238 HydrophobicContact CH2-CB 3.64Å; W190-P238 HydrophobicContact CH2-CG 3.71Å; W190-P238 HydrophobicContact CZ3-CB 3.54Å; W190-P238 HydrophobicContact CZ3-CG 3.81Å; W190-F240 HydrophobicContact CH2-CZ 4.1Å; W190-F240 HydrophobicContact CZ2-CZ 4.04Å; W190-L247 HydrophobicContact CB-CD2 3.63Å; W190-L247 HydrophobicContact CD2-CD2 3.8Å; W190-L247 HydrophobicContact CE3-CD2 4.42Å; W190-L247 HydrophobicContact CG-CD2 3.42Å; W190-L247 VanDerWaalsContact CG-CD2 3.42Å; W190-I250 HydrophobicContact CE3-CG2 4.35Å
191	S	93.1	Very high	91	Very high	92 Å²	92	73.8 Å²	73.8	64%	0.643	36%	0.358	S	S	*	.	H	α-helix	trans	-71	-32.5	-179.9	58.2	0	0	0	0	113	R187 E188 S193	R187-S191 VanDerWaalsContact O-CB 3.26Å; R187-S191 WeakPolarHBondContact O-CB 3.22Å; R187-S191 PolarHBondContact O-N 2.86Å; R187-S191 PolarHBondContact O-OG 2.94Å; E188-S191 PolarHBondContact O-N 3.01Å; E188-S191 PolarHBondContact O-OG 2.81Å; S191-S193 VanDerWaalsContact C-N 3.35Å
192	S	93.7	Very high	91.1	Very high	60 Å²	60	74 Å²	74	42%	0.42	37%	0.367	S	S	.	.	H	α-helix	trans	-82.2	-10.5	175	57.3	0	0	0	0	114.1	E188 I189 F229	E188-S192 WeakPolarHBondContact O-CB 3.48Å; E188-S192 PolarHBondContact O-N 3.38Å; E188-S192 PolarHBondContact O-OG 2.92Å; I189-S192 WeakPolarHBondContact CA-OG 3.49Å; I189-S192 PolarHBondContact O-N 3.41Å; I189-S192 PolarHBondContact O-OG 2.84Å; I189-S192 VanDerWaalsContact O-OG 3.06Å; S192-F229 VanDerWaalsContact OG-CE2 3.23Å; S192-F229 WeakPolarHBondContact OG-CE2 3.4Å
193	S	94.7	Very high	91.2	Very high	3 Å²	3	75.9 Å²	75.9	2%	0.021	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-86.2	139.5	178.3	-65.2	0	0	0	0	112.4	I189 W190 S191 L228 V236	I189-S193 VanDerWaalsContact O-CB 3.29Å; I189-S193 WeakPolarHBondContact O-CB 3.34Å; I189-S193 PolarHBondContact O-N 3.05Å; I189-S193 PolarHBondContact O-OG 2.87Å; W190-S193 PolarHBondContact O-N 3.17Å; S191-S193 VanDerWaalsContact C-N 3.35Å; S193-L228 WeakPolarHBondContact CA-O 3.49Å; S193-V236 WeakPolarHBondContact OG-CG2 3Å
194	L	94.2	Very high	91.3	Very high	59 Å²	59	72 Å²	72	31%	0.309	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136	-176.2	-65.5	174.1	0	0	0	111.8	L199 R227 L228 K230	L194-L199 HydrophobicContact CB-CD2 4.06Å; L194-L199 HydrophobicContact CD1-CD2 4.16Å; L194-R227 CarbonylContact O-C 3.6Å; L194-R227 WeakPolarHBondContact O-CA 3.38Å; L194-R227 WeakPolarHBondContact O-CB 3.32Å; L194-L228 PolarHBondContact N-O 3.35Å; L194-L228 PolarHBondContact O-N 2.8Å; L194-K230 HydrophobicContact CD1-CD 3.79Å; L194-K230 HydrophobicContact CD1-CG 4.46Å
195	P	92.9	Very high	91.3	Very high	32 Å²	32	70.3 Å²	70.3	21%	0.208	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	152.5	171.7	32.5	-35	0	0	0	110.6	T197 D198	P195-T197 PolarHBondContact O-N 3.1Å; P195-T197 VanDerWaalsContact O-N 3.08Å; P195-D198 HydrophobicContact CG-CB 4.08Å; P195-D198 VanDerWaalsContact CG-CG 3.45Å; P195-D198 WeakPolarHBondContact CG-OD2 3.3Å; P195-D198 PolarHBondContact O-N 3.07Å
196	F	91	Very high	91.3	Very high	7 Å²	7	70.7 Å²	70.7	3%	0.031	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16	-178.6	-85.8	-97.7	0	0	0	114.9	D198 L199 A204 V207 K208 L221 V226 L235	F196-D198 VanDerWaalsContact C-N 3.27Å; F196-L199 HydrophobicContact CD1-CD1 3.93Å; F196-L199 HydrophobicContact CE1-CD1 4.19Å; F196-L199 HydrophobicContact CG-CD1 4.2Å; F196-A204 HydrophobicContact CD1-CB 4.4Å; F196-V207 HydrophobicContact CE1-CB 4.44Å; F196-V207 HydrophobicContact CE1-CG1 3.97Å; F196-V207 HydrophobicContact CZ-CG1 3.79Å; F196-K208 HydrophobicContact CE1-CG 4.35Å; F196-L221 HydrophobicContact CB-CD1 4.23Å; F196-L221 HydrophobicContact CD1-CD1 3.88Å; F196-L221 HydrophobicContact CD2-CB 4.44Å; F196-L221 HydrophobicContact CD2-CD1 4.02Å; F196-L221 HydrophobicContact CE1-CD1 4.22Å; F196-L221 HydrophobicContact CE2-CD1 4.36Å; F196-L221 HydrophobicContact CG-CD1 3.77Å; F196-L221 HydrophobicContact CZ-CD1 4.45Å; F196-V226 HydrophobicContact CE2-CG1 4.26Å; F196-L235 HydrophobicContact CE2-CD2 3.89Å; F196-L235 HydrophobicContact CZ-CD2 3.56Å
197	T	88.7	Confident	91.2	Very high	71 Å²	71	70.9 Å²	70.9	44%	0.436	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.6	174.1	48.5	0	0	0	0	113.3	P195 K222	P195-T197 PolarHBondContact O-N 3.1Å; P195-T197 VanDerWaalsContact O-N 3.08Å; T197-K222 HydrophobicContact CG2-CD 4.1Å
198	D	90.3	Very high	91.2	Very high	109 Å²	109	65.1 Å²	65.1	58%	0.583	34%	0.341	S	S	*	.	S	Bend	trans	-105.9	0.8	-171.4	-55.2	3.3	0	0	0	110.9	P195 F196	P195-D198 HydrophobicContact CG-CB 4.08Å; P195-D198 VanDerWaalsContact CG-CG 3.45Å; P195-D198 WeakPolarHBondContact CG-OD2 3.3Å; P195-D198 PolarHBondContact O-N 3.07Å; F196-D198 VanDerWaalsContact C-N 3.27Å
199	L	89.1	Confident	91.1	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.063	34%	0.338	C	S	.	.	S	Bend	trans	-84.6	150.4	174.8	-63.3	178	0	0	0	110.7	L194 F196 A204 L228	L194-L199 HydrophobicContact CB-CD2 4.06Å; L194-L199 HydrophobicContact CD1-CD2 4.16Å; F196-L199 HydrophobicContact CD1-CD1 3.93Å; F196-L199 HydrophobicContact CE1-CD1 4.19Å; F196-L199 HydrophobicContact CG-CD1 4.2Å; L199-A204 HydrophobicContact CB-CB 4.17Å; L199-L228 HydrophobicContact CD1-CB 4.05Å; L199-L228 HydrophobicContact CD1-CD2 3.67Å; L199-L228 HydrophobicContact CD2-CD2 3.96Å; L199-L228 HydrophobicContact CG-CD2 4.5Å
200	H	89.6	Confident	90.9	Very high	146 Å²	146	63.1 Å²	63.1	68%	0.676	34%	0.341	S	S	*	.			trans	-64.2	142.6	168.1	-66.7	-71.4	0	0	0	110.5	E202 E203 A204	H200-E202 VanDerWaalsContact C-N 3.27Å; H200-E202 PolarHBondContact O-N 2.94Å; H200-E203 HydrophobicContact CB-CB 4.4Å; H200-E203 PolarHBondContact O-N 2.82Å; H200-A204 PolarHBondContact O-N 3.16Å
201	D	87.6	Confident	90.7	Very high	138 Å²	138	61.2 Å²	61.2	74%	0.738	33%	0.334	S	S	*	.	H	α-helix	trans	-56.1	-38.9	-174.9	-72.8	-31.3	0	0	0	113.1	Q205	D201-Q205 VanDerWaalsContact O-CB 3.27Å; D201-Q205 WeakPolarHBondContact O-CB 3.39Å; D201-Q205 PolarHBondContact O-N 3.07Å
202	E	89.4	Confident	90.6	Very high	174 Å²	174	64.7 Å²	64.7	81%	0.813	33%	0.333	S	S	*	.	H	α-helix	trans	-64.5	-44.3	176.3	-64.6	-175.2	176.2	0	0	112.2	H200 Q205 L206	H200-E202 VanDerWaalsContact C-N 3.27Å; H200-E202 PolarHBondContact O-N 2.94Å; E202-Q205 PolarHBondContact O-N 2.91Å; E202-L206 WeakPolarHBondContact O-CB 3.42Å; E202-L206 PolarHBondContact O-N 3.46Å
203	E	89.4	Confident	90.6	Very high	63 Å²	63	61.8 Å²	61.8	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-46.1	178.3	-176.3	175.3	-155.6	0	0	110.4	H200 Q205 L206 V207 K230	H200-E203 HydrophobicContact CB-CB 4.4Å; H200-E203 PolarHBondContact O-N 2.82Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 3.13Å; E203-L206 PolarHBondContact O-N 3.24Å; E203-V207 WeakPolarHBondContact O-CG2 3.48Å; E203-V207 PolarHBondContact O-N 3.22Å; E203-K230 WeakPolarHBondContact OE1-CE 3.4Å; E203-K230 IonicContact OE1-NZ 2.68Å; E203-K230 WeakPolarHBondContact OE2-CE 3.44Å; E203-K230 IonicContact OE2-NZ 3.68Å; E203-K230 PolarHBondContact OE2-NZ 3.13Å; E203-K230 VanDerWaalsContact OE2-NZ 3.12Å
204	A	88.9	Confident	90.4	Very high	5 Å²	5	64.8 Å²	64.8	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-44.4	177	0	0	0	0	0	111.5	F196 L199 H200 V207 K208	F196-A204 HydrophobicContact CD1-CB 4.4Å; L199-A204 HydrophobicContact CB-CB 4.17Å; H200-A204 PolarHBondContact O-N 3.16Å; A204-V207 PolarHBondContact O-N 2.79Å; A204-K208 WeakPolarHBondContact O-CB 3.34Å; A204-K208 VanDerWaalsContact O-CG 3.24Å; A204-K208 WeakPolarHBondContact O-CG 3.45Å; A204-K208 PolarHBondContact O-N 3.22Å
205	Q	90.3	Very high	90.4	Very high	106 Å²	106	68 Å²	68	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-38.5	179.4	-170.7	63.4	7.7	0	0	112.2	D201 E202 E203 K208 A209	D201-Q205 VanDerWaalsContact O-CB 3.27Å; D201-Q205 WeakPolarHBondContact O-CB 3.39Å; D201-Q205 PolarHBondContact O-N 3.07Å; E202-Q205 PolarHBondContact O-N 2.91Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 3.13Å; Q205-K208 PolarHBondContact O-N 3.11Å; Q205-A209 WeakPolarHBondContact O-CB 3.07Å; Q205-A209 PolarHBondContact O-N 3.19Å
206	L	89.8	Confident	90.5	Very high	96 Å²	96	66.6 Å²	66.6	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-47.5	175.6	-179.2	141	0	0	0	111.5	E202 E203 K208 A209 M210	E202-L206 WeakPolarHBondContact O-CB 3.42Å; E202-L206 PolarHBondContact O-N 3.46Å; E203-L206 PolarHBondContact O-N 3.24Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 3.35Å; L206-A209 PolarHBondContact O-N 2.98Å; L206-M210 HydrophobicContact CD2-CG 4.39Å; L206-M210 HydrophobicContact CD2-SD 3.66Å; L206-M210 WeakPolarHBondContact O-CG 3.37Å; L206-M210 PolarHBondContact O-N 3.05Å
207	V	90.1	Very high	90.6	Very high	6 Å²	6	68.4 Å²	68.4	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-45.3	176.3	170.8	0	0	0	0	110.2	F196 E203 A204 A209 M210 F211 L228 L235	F196-V207 HydrophobicContact CE1-CB 4.44Å; F196-V207 HydrophobicContact CE1-CG1 3.97Å; F196-V207 HydrophobicContact CZ-CG1 3.79Å; E203-V207 WeakPolarHBondContact O-CG2 3.48Å; E203-V207 PolarHBondContact O-N 3.22Å; A204-V207 PolarHBondContact O-N 2.79Å; V207-A209 VanDerWaalsContact C-N 3.28Å; V207-A209 PolarHBondContact O-N 3.24Å; V207-M210 WeakPolarHBondContact O-CB 3.48Å; V207-M210 PolarHBondContact O-N 3.31Å; V207-M210 VanDerWaalsContact O-N 3.12Å; V207-F211 HydrophobicContact CG1-CD2 3.85Å; V207-F211 HydrophobicContact CG1-CE2 4.01Å; V207-F211 VanDerWaalsContact O-CD2 3.31Å; V207-F211 WeakPolarHBondContact O-CD2 3.36Å; V207-F211 PolarHBondContact O-N 3.1Å; V207-L228 HydrophobicContact CG1-CD1 4.03Å; V207-L228 HydrophobicContact CG2-CD1 4.12Å; V207-L228 HydrophobicContact CG2-CD2 3.91Å; V207-L235 HydrophobicContact CG1-CD2 3.9Å
208	K	91.8	Very high	90.8	Very high	17 Å²	17	67.6 Å²	67.6	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-37.9	176.7	-75.1	-177.7	178.5	-164.2	0	113.1	F196 A204 Q205 L206 R212 I213 T214 I216 N218	F196-K208 HydrophobicContact CE1-CG 4.35Å; A204-K208 WeakPolarHBondContact O-CB 3.34Å; A204-K208 VanDerWaalsContact O-CG 3.24Å; A204-K208 WeakPolarHBondContact O-CG 3.45Å; A204-K208 PolarHBondContact O-N 3.22Å; Q205-K208 PolarHBondContact O-N 3.11Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 3.35Å; K208-R212 PolarHBondContact O-N 2.77Å; K208-R212 VanDerWaalsContact O-N 3.11Å; K208-I213 HydrophobicContact CB-CG1 4.01Å; K208-I213 HydrophobicContact CG-CD1 4.21Å; K208-I213 HydrophobicContact CG-CG1 3.98Å; K208-I213 PolarHBondContact O-N 2.92Å; K208-T214 HydrophobicContact CB-CG2 4.36Å; K208-I216 PolarHBondContact NZ-O 2.82Å; K208-N218 WeakPolarHBondContact CE-OD1 3.31Å; K208-N218 PolarHBondContact NZ-OD1 2.9Å
209	A	90.6	Very high	91	Very high	56 Å²	56	65.9 Å²	65.9	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-42.5	174.6	0	0	0	0	0	111.6	Q205 L206 V207 F211 R212 T214	Q205-A209 WeakPolarHBondContact O-CB 3.07Å; Q205-A209 PolarHBondContact O-N 3.19Å; L206-A209 PolarHBondContact O-N 2.98Å; V207-A209 VanDerWaalsContact C-N 3.28Å; V207-A209 PolarHBondContact O-N 3.24Å; A209-F211 VanDerWaalsContact C-N 3.35Å; A209-F211 PolarHBondContact O-N 2.74Å; A209-R212 PolarHBondContact O-N 2.54Å; A209-T214 HydrophobicContact CB-CG2 4.26Å
210	M	88.8	Confident	91.3	Very high	31 Å²	31	65.9 Å²	65.9	15%	0.153	34%	0.341	C	S	.	.	H	α-helix	trans	-59.4	-41.8	177.9	-76.4	-178.8	51.9	0	0	113.1	L206 V207 A255 Y265	L206-M210 HydrophobicContact CD2-CG 4.39Å; L206-M210 HydrophobicContact CD2-SD 3.66Å; L206-M210 WeakPolarHBondContact O-CG 3.37Å; L206-M210 PolarHBondContact O-N 3.05Å; V207-M210 WeakPolarHBondContact O-CB 3.48Å; V207-M210 PolarHBondContact O-N 3.31Å; V207-M210 VanDerWaalsContact O-N 3.12Å; M210-A255 HydrophobicContact CE-CB 3.9Å; M210-Y265 PolarHBondContact O-OH 3.19Å
211	F	90.5	Very high	91.5	Very high	3 Å²	3	59 Å²	59	1%	0.013	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.4	179.6	-67.3	-81	0	0	0	113.7	V207 A209 I213 L235 L253 A255 Y265	V207-F211 HydrophobicContact CG1-CD2 3.85Å; V207-F211 HydrophobicContact CG1-CE2 4.01Å; V207-F211 VanDerWaalsContact O-CD2 3.31Å; V207-F211 WeakPolarHBondContact O-CD2 3.36Å; V207-F211 PolarHBondContact O-N 3.1Å; A209-F211 VanDerWaalsContact C-N 3.35Å; A209-F211 PolarHBondContact O-N 2.74Å; F211-I213 VanDerWaalsContact C-N 3.25Å; F211-I213 HydrophobicContact CB-CD1 4.32Å; F211-I213 HydrophobicContact CB-CG1 4.1Å; F211-I213 HydrophobicContact CB-CG2 4.48Å; F211-I213 PolarHBondContact O-N 3.4Å; F211-L235 HydrophobicContact CB-CD1 3.83Å; F211-L235 HydrophobicContact CD1-CD1 3.71Å; F211-L235 HydrophobicContact CD1-CG 4.03Å; F211-L235 HydrophobicContact CD2-CD1 3.79Å; F211-L235 HydrophobicContact CD2-CD2 4Å; F211-L235 HydrophobicContact CD2-CG 3.69Å; F211-L235 HydrophobicContact CE1-CD1 4.2Å; F211-L235 HydrophobicContact CE1-CG 4.03Å; F211-L235 HydrophobicContact CE2-CD1 4.29Å; F211-L235 HydrophobicContact CE2-CD2 4.09Å; F211-L235 HydrophobicContact CE2-CG 3.71Å; F211-L235 HydrophobicContact CG-CD1 3.49Å; F211-L235 VanDerWaalsContact CG-CD1 3.49Å; F211-L235 HydrophobicContact CG-CG 3.87Å; F211-L235 HydrophobicContact CZ-CD1 4.47Å; F211-L235 HydrophobicContact CZ-CG 3.88Å; F211-L253 HydrophobicContact CD1-CD2 3.86Å; F211-L253 HydrophobicContact CD1-CG 4.22Å; F211-L253 HydrophobicContact CE1-CB 4.43Å; F211-L253 HydrophobicContact CE1-CD2 4.07Å; F211-L253 HydrophobicContact CE1-CG 3.92Å; F211-L253 WeakPolarHBondContact CE1-O 3.41Å; F211-L253 VanDerWaalsContact CZ-O 3.26Å; F211-L253 WeakPolarHBondContact CZ-O 3.49Å; F211-A255 HydrophobicContact CD1-CB 4.35Å; F211-A255 HydrophobicContact CE1-CB 3.72Å; F211-A255 HydrophobicContact CE2-CB 4.43Å; F211-A255 HydrophobicContact CZ-CB 3.77Å; F211-Y265 HydrophobicContact CD1-CD1 4.13Å; F211-Y265 AromaticContact CD1-CE1 3.76Å; F211-Y265 HydrophobicContact CD1-CE1 3.76Å; F211-Y265 HydrophobicContact CE1-CD1 4.18Å; F211-Y265 HydrophobicContact CE1-CE1 4.16Å
212	R	91.5	Very high	91.9	Very high	164 Å²	164	59.4 Å²	59.4	62%	0.619	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	33.6	-179.4	-53.5	178.3	177	-173.6	-2.2	114	K208 A209	K208-R212 PolarHBondContact O-N 2.77Å; K208-R212 VanDerWaalsContact O-N 3.11Å; A209-R212 PolarHBondContact O-N 2.54Å
213	I	93.2	Very high	92.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.			trans	-111.7	27.2	-178.8	59.4	169.3	0	0	0	112.8	K208 F211 K215 I216 L221 L235 L299 L375	K208-I213 HydrophobicContact CB-CG1 4.01Å; K208-I213 HydrophobicContact CG-CD1 4.21Å; K208-I213 HydrophobicContact CG-CG1 3.98Å; K208-I213 PolarHBondContact O-N 2.92Å; F211-I213 VanDerWaalsContact C-N 3.25Å; F211-I213 HydrophobicContact CB-CD1 4.32Å; F211-I213 HydrophobicContact CB-CG1 4.1Å; F211-I213 HydrophobicContact CB-CG2 4.48Å; F211-I213 PolarHBondContact O-N 3.4Å; I213-K215 PolarHBondContact O-N 2.95Å; I213-K215 VanDerWaalsContact O-N 3.15Å; I213-I216 HydrophobicContact CB-CB 4.21Å; I213-I216 HydrophobicContact CB-CD1 3.74Å; I213-I216 HydrophobicContact CB-CG1 3.91Å; I213-I216 HydrophobicContact CG2-CD1 3.6Å; I213-I216 HydrophobicContact CG2-CG1 4.29Å; I213-I216 WeakPolarHBondContact O-CB 3.35Å; I213-I216 PolarHBondContact O-N 3.34Å; I213-L221 HydrophobicContact CD1-CD2 4.48Å; I213-L235 HydrophobicContact CD1-CD1 4.16Å; I213-L299 HydrophobicContact CG2-CD1 4.14Å; I213-L299 HydrophobicContact CG2-CD2 3.83Å; I213-L299 HydrophobicContact CG2-CG 4.45Å; I213-L375 HydrophobicContact CG2-CD1 4.03Å; I213-L375 HydrophobicContact CG2-CD2 4.42Å
214	T	90.8	Very high	92.3	Very high	65 Å²	65	53.9 Å²	53.9	40%	0.399	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.9	-177.2	55.4	0	0	0	0	113.7	K208 A209	K208-T214 HydrophobicContact CB-CG2 4.36Å; A209-T214 HydrophobicContact CB-CG2 4.26Å
215	K	93.4	Very high	92.6	Very high	127 Å²	127	54.6 Å²	54.6	55%	0.552	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.7	175.4	-63.3	-60.8	-172.5	175.6	0	114	I213 Q306 L378	I213-K215 PolarHBondContact O-N 2.95Å; I213-K215 VanDerWaalsContact O-N 3.15Å; K215-Q306 PolarHBondContact O-NE2 3.17Å; K215-L378 HydrophobicContact CB-CD2 4.47Å; K215-L378 HydrophobicContact CB-CG 4.24Å
216	I	94.9	Very high	92.8	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	-80.8	127.3	176.6	-54.7	-170.2	0	0	0	109.3	K208 I213 T220 L221 L302 L375 L378	K208-I216 PolarHBondContact NZ-O 2.82Å; I213-I216 HydrophobicContact CB-CB 4.21Å; I213-I216 HydrophobicContact CB-CD1 3.74Å; I213-I216 HydrophobicContact CB-CG1 3.91Å; I213-I216 HydrophobicContact CG2-CD1 3.6Å; I213-I216 HydrophobicContact CG2-CG1 4.29Å; I213-I216 WeakPolarHBondContact O-CB 3.35Å; I213-I216 PolarHBondContact O-N 3.34Å; I216-T220 HydrophobicContact CG2-CG2 4.18Å; I216-L221 HydrophobicContact CG2-CD2 4.24Å; I216-L221 HydrophobicContact CG2-CG 4.04Å; I216-L302 HydrophobicContact CD1-CB 3.84Å; I216-L302 HydrophobicContact CD1-CD1 4.18Å; I216-L302 HydrophobicContact CG2-CB 4.41Å; I216-L375 HydrophobicContact CD1-CD1 3.94Å; I216-L375 HydrophobicContact CG1-CD1 4.39Å; I216-L378 HydrophobicContact CG1-CD2 4.22Å
217	S	94.2	Very high	93.1	Very high	45 Å²	45	48 Å²	48	32%	0.315	25%	0.248	S	C	.	.			trans	-74.7	150.1	-179.4	75.4	0	0	0	0	111.8	A219 T220 L221 Q306	S217-A219 PolarHBondContact O-N 3.09Å; S217-T220 PolarHBondContact O-N 3.29Å; S217-T220 PolarHBondContact OG-N 2.77Å; S217-T220 VanDerWaalsContact OG-N 3.09Å; S217-T220 PolarHBondContact OG-OG1 3.11Å; S217-L221 PolarHBondContact O-N 2.95Å; S217-L221 VanDerWaalsContact O-N 3.13Å; S217-Q306 PolarHBondContact OG-OE1 3.5Å; S217-Q306 VanDerWaalsContact OG-OE1 3.1Å
218	N	92.9	Very high	93.3	Very high	54 Å²	54	47.8 Å²	47.8	29%	0.289	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-28.7	173.6	-70.8	-1.6	0	0	0	111.6	K208 L221 K222	K208-N218 WeakPolarHBondContact CE-OD1 3.31Å; K208-N218 PolarHBondContact NZ-OD1 2.9Å; N218-L221 PolarHBondContact O-N 3.11Å; N218-K222 VanDerWaalsContact O-CB 3.29Å; N218-K222 WeakPolarHBondContact O-CB 3.46Å; N218-K222 PolarHBondContact O-N 2.97Å
219	A	93.9	Very high	93.4	Very high	73 Å²	73	48.4 Å²	48.4	60%	0.603	25%	0.25	S	C	*	.	H	α-helix	trans	-63.3	-43.4	174.4	0	0	0	0	0	111.7	S217 K222 K223	S217-A219 PolarHBondContact O-N 3.09Å; A219-K222 PolarHBondContact O-N 3.04Å; A219-K223 WeakPolarHBondContact O-CB 3.08Å; A219-K223 PolarHBondContact O-N 3.3Å
220	T	95.2	Very high	93.3	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-64.7	-45.6	174.9	-56.7	0	0	0	0	111.3	I216 S217 K222 K223 F224 L302 Q306	I216-T220 HydrophobicContact CG2-CG2 4.18Å; S217-T220 PolarHBondContact O-N 3.29Å; S217-T220 PolarHBondContact OG-N 2.77Å; S217-T220 VanDerWaalsContact OG-N 3.09Å; S217-T220 PolarHBondContact OG-OG1 3.11Å; T220-K222 VanDerWaalsContact C-N 3.32Å; T220-K222 PolarHBondContact O-N 3.08Å; T220-K223 WeakPolarHBondContact O-CB 3.2Å; T220-K223 PolarHBondContact O-N 3.03Å; T220-F224 HydrophobicContact CG2-CD2 4.13Å; T220-F224 HydrophobicContact CG2-CE2 4.27Å; T220-F224 WeakPolarHBondContact O-CD2 2.94Å; T220-F224 PolarHBondContact O-N 2.96Å; T220-F224 VanDerWaalsContact O-N 3.09Å; T220-L302 HydrophobicContact CG2-CB 4.16Å; T220-L302 HydrophobicContact CG2-CD2 4.19Å; T220-Q306 HydrophobicContact CG2-CB 4.23Å; T220-Q306 PolarHBondContact OG1-OE1 2.66Å
221	L	95.2	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-43.9	177	-68.4	167.9	0	0	0	111.5	F196 I213 I216 S217 N218 F224 G225 V226 L302	F196-L221 HydrophobicContact CB-CD1 4.23Å; F196-L221 HydrophobicContact CD1-CD1 3.88Å; F196-L221 HydrophobicContact CD2-CB 4.44Å; F196-L221 HydrophobicContact CD2-CD1 4.02Å; F196-L221 HydrophobicContact CE1-CD1 4.22Å; F196-L221 HydrophobicContact CE2-CD1 4.36Å; F196-L221 HydrophobicContact CG-CD1 3.77Å; F196-L221 HydrophobicContact CZ-CD1 4.45Å; I213-L221 HydrophobicContact CD1-CD2 4.48Å; I216-L221 HydrophobicContact CG2-CD2 4.24Å; I216-L221 HydrophobicContact CG2-CG 4.04Å; S217-L221 PolarHBondContact O-N 2.95Å; S217-L221 VanDerWaalsContact O-N 3.13Å; N218-L221 PolarHBondContact O-N 3.11Å; L221-F224 PolarHBondContact O-N 2.88Å; L221-G225 PolarHBondContact O-N 2.84Å; L221-V226 HydrophobicContact CB-CB 4.37Å; L221-V226 HydrophobicContact CD2-CB 3.83Å; L221-V226 HydrophobicContact CD2-CG1 3.9Å; L221-V226 HydrophobicContact CD2-CG2 4.13Å; L221-V226 PolarHBondContact O-N 3.1Å; L221-L302 HydrophobicContact CD2-CD1 3.87Å
222	K	94.4	Very high	93	Very high	147 Å²	147	56.6 Å²	56.6	64%	0.639	29%	0.291	S	S	*	.	H	α-helix	trans	-63.3	-44	175.2	-175.4	177	-176.7	172.9	0	112.1	T197 N218 A219 T220 F224 G225	T197-K222 HydrophobicContact CG2-CD 4.1Å; N218-K222 VanDerWaalsContact O-CB 3.29Å; N218-K222 WeakPolarHBondContact O-CB 3.46Å; N218-K222 PolarHBondContact O-N 2.97Å; A219-K222 PolarHBondContact O-N 3.04Å; T220-K222 VanDerWaalsContact C-N 3.32Å; T220-K222 PolarHBondContact O-N 3.08Å; K222-F224 VanDerWaalsContact C-N 3.27Å; K222-F224 PolarHBondContact O-N 3.3Å; K222-G225 PolarHBondContact O-N 2.94Å
223	K	94.1	Very high	92.8	Very high	113 Å²	113	54.8 Å²	54.8	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-56.2	-42.1	178.1	-178.5	-174	177	-171.1	0	111.5	A219 T220 L284 S305	A219-K223 WeakPolarHBondContact O-CB 3.08Å; A219-K223 PolarHBondContact O-N 3.3Å; T220-K223 WeakPolarHBondContact O-CB 3.2Å; T220-K223 PolarHBondContact O-N 3.03Å; K223-L284 HydrophobicContact CD-CD1 4.47Å; K223-L284 HydrophobicContact CG-CD1 4.02Å; K223-L284 HydrophobicContact CG-CD2 4.24Å; K223-L284 WeakPolarHBondContact O-CD2 3.47Å; K223-S305 PolarHBondContact NZ-OG 3.13Å
224	F	94.3	Very high	92.8	Very high	9 Å²	9	54.8 Å²	54.8	4%	0.039	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.1	179.2	-78.6	-99.2	0	0	0	114.1	T220 L221 K222 V226 P238 F280 L284 T301 L302 S305	T220-F224 HydrophobicContact CG2-CD2 4.13Å; T220-F224 HydrophobicContact CG2-CE2 4.27Å; T220-F224 WeakPolarHBondContact O-CD2 2.94Å; T220-F224 PolarHBondContact O-N 2.96Å; T220-F224 VanDerWaalsContact O-N 3.09Å; L221-F224 PolarHBondContact O-N 2.88Å; K222-F224 VanDerWaalsContact C-N 3.27Å; K222-F224 PolarHBondContact O-N 3.3Å; F224-V226 VanDerWaalsContact C-N 3.27Å; F224-V226 HydrophobicContact CB-CG2 4.01Å; F224-V226 PolarHBondContact O-N 2.77Å; F224-P238 WeakPolarHBondContact O-CG 3.18Å; F224-F280 HydrophobicContact CB-CZ 3.82Å; F224-F280 HydrophobicContact CD1-CD1 4.35Å; F224-F280 AromaticContact CD1-CE1 3.6Å; F224-F280 HydrophobicContact CD1-CE1 3.6Å; F224-F280 HydrophobicContact CD1-CE2 4.4Å; F224-F280 AromaticContact CD1-CZ 3.64Å; F224-F280 HydrophobicContact CD1-CZ 3.64Å; F224-F280 HydrophobicContact CE1-CE1 4.21Å; F224-F280 HydrophobicContact CG-CE1 4.37Å; F224-F280 HydrophobicContact CG-CZ 4.13Å; F224-L284 HydrophobicContact CD1-CD1 3.57Å; F224-L284 HydrophobicContact CD2-CD1 3.76Å; F224-L284 HydrophobicContact CE1-CD1 3.56Å; F224-L284 HydrophobicContact CE2-CD1 3.75Å; F224-L284 HydrophobicContact CG-CD1 3.68Å; F224-L284 HydrophobicContact CZ-CD1 3.65Å; F224-T301 HydrophobicContact CE1-CG2 3.68Å; F224-T301 HydrophobicContact CZ-CG2 4.11Å; F224-L302 HydrophobicContact CB-CD2 3.52Å; F224-L302 HydrophobicContact CD1-CD2 3.88Å; F224-L302 HydrophobicContact CD2-CD2 3.52Å; F224-L302 HydrophobicContact CE1-CD2 4.46Å; F224-L302 HydrophobicContact CE2-CD2 4.16Å; F224-L302 HydrophobicContact CG-CD2 3.36Å; F224-S305 WeakPolarHBondContact CE2-OG 3.49Å
225	G	93.9	Very high	93.1	Very high	19 Å²	19	51.7 Å²	51.7	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	24.5	-179.5	0	0	0	0	0	114.3	W190 L221 K222 R227 P238	W190-G225 VanDerWaalsContact CH2-O 3.31Å; W190-G225 WeakPolarHBondContact CH2-O 3.08Å; L221-G225 PolarHBondContact O-N 2.84Å; K222-G225 PolarHBondContact O-N 2.94Å; G225-R227 PolarHBondContact O-N 2.93Å; G225-P238 WeakPolarHBondContact O-CD 3.32Å; G225-P238 WeakPolarHBondContact O-CG 3.42Å
226	V	95.4	Very high	93.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.242	C	C	.	.			trans	-70.1	129.3	179.9	-175.6	0	0	0	0	109.8	F196 L221 F224 V236 F237 F280 L302	F196-V226 HydrophobicContact CE2-CG1 4.26Å; L221-V226 HydrophobicContact CB-CB 4.37Å; L221-V226 HydrophobicContact CD2-CB 3.83Å; L221-V226 HydrophobicContact CD2-CG1 3.9Å; L221-V226 HydrophobicContact CD2-CG2 4.13Å; L221-V226 PolarHBondContact O-N 3.1Å; F224-V226 VanDerWaalsContact C-N 3.27Å; F224-V226 HydrophobicContact CB-CG2 4.01Å; F224-V226 PolarHBondContact O-N 2.77Å; V226-V236 WeakPolarHBondContact CA-O 3.42Å; V226-F237 HydrophobicContact CG1-CD1 4.27Å; V226-F237 HydrophobicContact CG1-CE1 4.06Å; V226-F237 HydrophobicContact CG2-CD1 3.98Å; V226-F237 HydrophobicContact CG2-CE1 4.16Å; V226-F280 HydrophobicContact CG2-CZ 4.11Å; V226-L302 HydrophobicContact CG2-CD1 4.15Å; V226-L302 HydrophobicContact CG2-CD2 4.1Å
227	R	95.5	Very high	93.2	Very high	62 Å²	62	45.6 Å²	45.6	23%	0.234	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	167.4	-178.6	-59.5	-173.4	178.1	-165.8	-3.5	111.8	W190 L194 G225 V236	W190-R227 HydrophobicContact CH2-CG 4.13Å; W190-R227 VanDerWaalsContact CH2-NE 3.3Å; W190-R227 VanDerWaalsContact CZ2-NE 3.3Å; W190-R227 HydrophobicContact CZ3-CG 3.95Å; W190-R227 PolarHBondContact O-NH1 2.88Å; L194-R227 CarbonylContact O-C 3.6Å; L194-R227 WeakPolarHBondContact O-CA 3.38Å; L194-R227 WeakPolarHBondContact O-CB 3.32Å; G225-R227 PolarHBondContact O-N 2.93Å; R227-V236 HydrophobicContact CB-CB 4.27Å; R227-V236 PolarHBondContact N-O 2.89Å; R227-V236 VanDerWaalsContact N-O 3.07Å; R227-V236 PolarHBondContact O-N 3.21Å
228	L	94.8	Very high	93.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.7	172.4	178.6	67.4	0	0	0	109.7	S193 L194 L199 V207 K230	S193-L228 WeakPolarHBondContact CA-O 3.49Å; L194-L228 PolarHBondContact N-O 3.35Å; L194-L228 PolarHBondContact O-N 2.8Å; L199-L228 HydrophobicContact CD1-CB 4.05Å; L199-L228 HydrophobicContact CD1-CD2 3.67Å; L199-L228 HydrophobicContact CD2-CD2 3.96Å; L199-L228 HydrophobicContact CG-CD2 4.5Å; V207-L228 HydrophobicContact CG1-CD1 4.03Å; V207-L228 HydrophobicContact CG2-CD1 4.12Å; V207-L228 HydrophobicContact CG2-CD2 3.91Å; L228-K230 HydrophobicContact CD2-CG 4.44Å
229	F	93.9	Very high	92.9	Very high	30 Å²	30	41.3 Å²	41.3	13%	0.132	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	104.1	168.7	-173.7	-128.1	0	0	0	109.1	I189 S192 P231 T232 K233 S234 V236	I189-F229 HydrophobicContact CG2-CD1 4.46Å; I189-F229 HydrophobicContact CG2-CD2 4.14Å; I189-F229 HydrophobicContact CG2-CE2 4.41Å; I189-F229 HydrophobicContact CG2-CG 4.2Å; S192-F229 VanDerWaalsContact OG-CE2 3.23Å; S192-F229 WeakPolarHBondContact OG-CE2 3.4Å; F229-P231 HydrophobicContact CD2-CG 4.25Å; F229-P231 HydrophobicContact CE1-CB 3.98Å; F229-P231 HydrophobicContact CE1-CG 4.09Å; F229-P231 HydrophobicContact CE2-CB 4.43Å; F229-P231 HydrophobicContact CE2-CG 3.65Å; F229-P231 HydrophobicContact CZ-CB 3.89Å; F229-P231 HydrophobicContact CZ-CG 3.57Å; F229-T232 HydrophobicContact CD1-CG2 4.27Å; F229-T232 WeakPolarHBondContact CD1-OG1 3.26Å; F229-T232 HydrophobicContact CE1-CG2 4.05Å; F229-K233 WeakPolarHBondContact O-CA 3.31Å; F229-K233 PolarHBondContact O-N 3.32Å; F229-S234 PolarHBondContact N-O 3Å; F229-S234 PolarHBondContact O-N 2.86Å; F229-S234 VanDerWaalsContact O-N 3.12Å; F229-V236 HydrophobicContact CB-CG2 3.61Å
230	K	88.4	Confident	92.5	Very high	87 Å²	87	40.6 Å²	40.6	38%	0.378	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-42.9	-173.2	-76.1	-172.1	161	-176.4	0	114.8	L194 E203 L228 T232 K233	L194-K230 HydrophobicContact CD1-CD 3.79Å; L194-K230 HydrophobicContact CD1-CG 4.46Å; E203-K230 WeakPolarHBondContact OE1-CE 3.4Å; E203-K230 IonicContact OE1-NZ 2.68Å; E203-K230 WeakPolarHBondContact OE2-CE 3.44Å; E203-K230 IonicContact OE2-NZ 3.68Å; E203-K230 PolarHBondContact OE2-NZ 3.13Å; E203-K230 VanDerWaalsContact OE2-NZ 3.12Å; L228-K230 HydrophobicContact CD2-CG 4.44Å; K230-T232 VanDerWaalsContact C-N 3.27Å; K230-T232 PolarHBondContact O-N 3.13Å; K230-K233 PolarHBondContact O-N 2.99Å
231	P	87.7	Confident	91.7	Very high	102 Å²	102	40.6 Å²	40.6	66%	0.662	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-40	-175.7	-30.3	38.5	0	0	0	114	F229	F229-P231 HydrophobicContact CD2-CG 4.25Å; F229-P231 HydrophobicContact CE1-CB 3.98Å; F229-P231 HydrophobicContact CE1-CG 4.09Å; F229-P231 HydrophobicContact CE2-CB 4.43Å; F229-P231 HydrophobicContact CE2-CG 3.65Å; F229-P231 HydrophobicContact CZ-CB 3.89Å; F229-P231 HydrophobicContact CZ-CG 3.57Å
232	T	85.8	Confident	90.5	Very high	72 Å²	72	41.8 Å²	41.8	44%	0.442	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-0.3	-179.7	59.2	0	0	0	0	113.4	F229 K230 S234	F229-T232 HydrophobicContact CD1-CG2 4.27Å; F229-T232 WeakPolarHBondContact CD1-OG1 3.26Å; F229-T232 HydrophobicContact CE1-CG2 4.05Å; K230-T232 VanDerWaalsContact C-N 3.27Å; K230-T232 PolarHBondContact O-N 3.13Å; T232-S234 VanDerWaalsContact C-N 3.25Å; T232-S234 VanDerWaalsContact CB-OG 3.31Å; T232-S234 WeakPolarHBondContact CB-OG 3.38Å; T232-S234 PolarHBondContact O-N 3.28Å; T232-S234 PolarHBondContact O-OG 2.68Å; T232-S234 WeakPolarHBondContact OG1-CB 3.15Å; T232-S234 PolarHBondContact OG1-OG 3.01Å
233	K	87.6	Confident	89.2	Confident	127 Å²	127	39.3 Å²	39.3	55%	0.552	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	43.3	-171.8	-61.4	-178.9	178.6	-179.8	0	112.5	F229 K230	F229-K233 WeakPolarHBondContact O-CA 3.31Å; F229-K233 PolarHBondContact O-N 3.32Å; K230-K233 PolarHBondContact O-N 2.99Å
234	S	93.4	Very high	88.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.2	-175.8	-50	0	0	0	0	111.7	F229 T232 L253 S254	F229-S234 PolarHBondContact N-O 3Å; F229-S234 PolarHBondContact O-N 2.86Å; F229-S234 VanDerWaalsContact O-N 3.12Å; T232-S234 VanDerWaalsContact C-N 3.25Å; T232-S234 VanDerWaalsContact CB-OG 3.31Å; T232-S234 WeakPolarHBondContact CB-OG 3.38Å; T232-S234 PolarHBondContact O-N 3.28Å; T232-S234 PolarHBondContact O-OG 2.68Å; T232-S234 WeakPolarHBondContact OG1-CB 3.15Å; T232-S234 PolarHBondContact OG1-OG 3.01Å; S234-L253 CarbonylContact C-O 3.55Å; S234-L253 VanDerWaalsContact CA-O 3.25Å; S234-L253 WeakPolarHBondContact CA-O 3.32Å; S234-L253 WeakPolarHBondContact CB-O 3.18Å; S234-S254 WeakPolarHBondContact OG-CB 3.38Å; S234-S254 PolarHBondContact OG-OG 2.93Å
235	L	95.3	Very high	87.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.1	166.5	-61.3	-178.3	0	0	0	109.3	F196 V207 F211 I213 F237 L252 L253 L299	F196-L235 HydrophobicContact CE2-CD2 3.89Å; F196-L235 HydrophobicContact CZ-CD2 3.56Å; V207-L235 HydrophobicContact CG1-CD2 3.9Å; F211-L235 HydrophobicContact CB-CD1 3.83Å; F211-L235 HydrophobicContact CD1-CD1 3.71Å; F211-L235 HydrophobicContact CD1-CG 4.03Å; F211-L235 HydrophobicContact CD2-CD1 3.79Å; F211-L235 HydrophobicContact CD2-CD2 4Å; F211-L235 HydrophobicContact CD2-CG 3.69Å; F211-L235 HydrophobicContact CE1-CD1 4.2Å; F211-L235 HydrophobicContact CE1-CG 4.03Å; F211-L235 HydrophobicContact CE2-CD1 4.29Å; F211-L235 HydrophobicContact CE2-CD2 4.09Å; F211-L235 HydrophobicContact CE2-CG 3.71Å; F211-L235 HydrophobicContact CG-CD1 3.49Å; F211-L235 VanDerWaalsContact CG-CD1 3.49Å; F211-L235 HydrophobicContact CG-CG 3.87Å; F211-L235 HydrophobicContact CZ-CD1 4.47Å; F211-L235 HydrophobicContact CZ-CG 3.88Å; I213-L235 HydrophobicContact CD1-CD1 4.16Å; L235-F237 HydrophobicContact CB-CE2 3.86Å; L235-F237 HydrophobicContact CB-CZ 3.9Å; L235-F237 HydrophobicContact CD1-CZ 4.02Å; L235-L252 CarbonylContact O-C 3.57Å; L235-L252 WeakPolarHBondContact O-CA 3.44Å; L235-L253 HydrophobicContact CB-CB 4.42Å; L235-L253 PolarHBondContact N-O 3.43Å; L235-L253 PolarHBondContact O-N 3.4Å; L235-L299 HydrophobicContact CD1-CD2 4.1Å
236	V	95.8	Very high	87.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.6	177.4	-168.7	0	0	0	0	109	W190 S193 V226 R227 F229 I250 L252	W190-V236 HydrophobicContact CE3-CG1 4.31Å; S193-V236 WeakPolarHBondContact OG-CG2 3Å; V226-V236 WeakPolarHBondContact CA-O 3.42Å; R227-V236 HydrophobicContact CB-CB 4.27Å; R227-V236 PolarHBondContact N-O 2.89Å; R227-V236 VanDerWaalsContact N-O 3.07Å; R227-V236 PolarHBondContact O-N 3.21Å; F229-V236 HydrophobicContact CB-CG2 3.61Å; V236-I250 HydrophobicContact CG1-CB 3.98Å; V236-I250 HydrophobicContact CG1-CD1 4.29Å; V236-I250 HydrophobicContact CG1-CG2 3.9Å; V236-L252 HydrophobicContact CB-CD2 4.14Å; V236-L252 HydrophobicContact CG1-CD2 4.04Å; V236-L252 HydrophobicContact CG2-CD2 3.55Å
237	F	94.8	Very high	86.7	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.9	175	-57.1	-79.7	0	0	0	109.1	V226 L235 I250 K251 L253 F280 E298 L299 L302	V226-F237 HydrophobicContact CG1-CD1 4.27Å; V226-F237 HydrophobicContact CG1-CE1 4.06Å; V226-F237 HydrophobicContact CG2-CD1 3.98Å; V226-F237 HydrophobicContact CG2-CE1 4.16Å; L235-F237 HydrophobicContact CB-CE2 3.86Å; L235-F237 HydrophobicContact CB-CZ 3.9Å; L235-F237 HydrophobicContact CD1-CZ 4.02Å; F237-I250 WeakPolarHBondContact O-CA 3.48Å; F237-K251 HydrophobicContact CB-CB 4.34Å; F237-K251 PolarHBondContact N-O 3.4Å; F237-K251 PolarHBondContact O-N 2.73Å; F237-L253 HydrophobicContact CE2-CB 3.78Å; F237-L253 HydrophobicContact CE2-CD2 4.34Å; F237-F280 HydrophobicContact CB-CD2 4.11Å; F237-F280 HydrophobicContact CB-CE2 3.91Å; F237-F280 HydrophobicContact CB-CZ 4.47Å; F237-F280 HydrophobicContact CD1-CE1 4.28Å; F237-F280 HydrophobicContact CD1-CE2 4.08Å; F237-F280 AromaticContact CD1-CZ 3.79Å; F237-F280 HydrophobicContact CD1-CZ 3.79Å; F237-F280 HydrophobicContact CG-CE2 4.49Å; F237-E298 HydrophobicContact CB-CG 4.16Å; F237-E298 HydrophobicContact CD1-CB 3.58Å; F237-E298 HydrophobicContact CD1-CG 4.1Å; F237-E298 HydrophobicContact CD2-CB 4.25Å; F237-E298 HydrophobicContact CD2-CG 4.31Å; F237-E298 HydrophobicContact CE1-CB 3.7Å; F237-E298 HydrophobicContact CE2-CB 4.35Å; F237-E298 HydrophobicContact CG-CB 3.87Å; F237-E298 HydrophobicContact CG-CG 3.92Å; F237-E298 HydrophobicContact CZ-CB 4.09Å; F237-L299 HydrophobicContact CE1-CD2 3.98Å; F237-L299 HydrophobicContact CZ-CD2 3.64Å; F237-L299 HydrophobicContact CZ-CG 4.27Å; F237-L302 HydrophobicContact CE1-CD1 4.37Å
238	P	92.9	Very high	86.3	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.7	178.3	29.8	-35.3	0	0	0	112.1	W190 F224 G225 F240 L247 F280	W190-P238 HydrophobicContact CE3-CB 4.32Å; W190-P238 HydrophobicContact CH2-CB 3.64Å; W190-P238 HydrophobicContact CH2-CG 3.71Å; W190-P238 HydrophobicContact CZ3-CB 3.54Å; W190-P238 HydrophobicContact CZ3-CG 3.81Å; F224-P238 WeakPolarHBondContact O-CG 3.18Å; G225-P238 WeakPolarHBondContact O-CD 3.32Å; G225-P238 WeakPolarHBondContact O-CG 3.42Å; P238-F240 HydrophobicContact CB-CD2 4.25Å; P238-F240 HydrophobicContact CB-CE1 4.16Å; P238-F240 HydrophobicContact CB-CE2 3.6Å; P238-F240 HydrophobicContact CB-CZ 3.55Å; P238-F240 HydrophobicContact CG-CD2 4.34Å; P238-F240 HydrophobicContact CG-CE2 3.51Å; P238-F240 HydrophobicContact CG-CZ 3.82Å; P238-L247 HydrophobicContact CB-CD1 3.76Å; P238-F280 WeakPolarHBondContact O-CD2 3.25Å
239	W	88	Confident	86	Confident	5 Å²	5	45.5 Å²	45.5	2%	0.019	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.4	166.2	-63.2	-34.7	0	0	0	110.2	K248 G249 K251 T269 Y276 N278 P316	W239-K248 PolarHBondContact O-N 3.05Å; W239-G249 PolarHBondContact N-O 3.08Å; W239-G249 PolarHBondContact O-N 2.9Å; W239-K251 HydrophobicContact CH2-CB 4Å; W239-K251 HydrophobicContact CH2-CD 4.49Å; W239-K251 HydrophobicContact CZ2-CB 3.66Å; W239-K251 HydrophobicContact CZ2-CD 3.97Å; W239-K251 HydrophobicContact CZ2-CG 4.29Å; W239-T269 HydrophobicContact CE3-CG2 4.43Å; W239-T269 HydrophobicContact CH2-CG2 3.24Å; W239-T269 HydrophobicContact CZ3-CG2 3.17Å; W239-Y276 HydrophobicContact CB-CE1 3.85Å; W239-Y276 HydrophobicContact CD2-CD1 4.41Å; W239-Y276 AromaticContact CD2-CE1 3.97Å; W239-Y276 HydrophobicContact CD2-CE1 3.97Å; W239-Y276 AromaticContact CE3-CD1 3.47Å; W239-Y276 HydrophobicContact CE3-CD1 3.47Å; W239-Y276 VanDerWaalsContact CE3-CD1 3.47Å; W239-Y276 AromaticContact CE3-CE1 3.35Å; W239-Y276 HydrophobicContact CE3-CE1 3.35Å; W239-Y276 HydrophobicContact CG-CE1 4.23Å; W239-Y276 AromaticContact CZ3-CD1 3.67Å; W239-Y276 HydrophobicContact CZ3-CD1 3.67Å; W239-Y276 HydrophobicContact CZ3-CE1 4.05Å; W239-N278 HydrophobicContact CB-CB 4.19Å; W239-N278 HydrophobicContact CG-CB 4.38Å; W239-P316 HydrophobicContact CZ2-CB 4.4Å
240	F	86.9	Confident	85.9	Confident	59 Å²	59	44.1 Å²	44.1	26%	0.259	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.2	174.1	-59.2	-64.2	0	0	0	109.5	W190 P238 S245 S246 L247 N278 A283	W190-F240 HydrophobicContact CH2-CZ 4.1Å; W190-F240 HydrophobicContact CZ2-CZ 4.04Å; P238-F240 HydrophobicContact CB-CD2 4.25Å; P238-F240 HydrophobicContact CB-CE1 4.16Å; P238-F240 HydrophobicContact CB-CE2 3.6Å; P238-F240 HydrophobicContact CB-CZ 3.55Å; P238-F240 HydrophobicContact CG-CD2 4.34Å; P238-F240 HydrophobicContact CG-CE2 3.51Å; P238-F240 HydrophobicContact CG-CZ 3.82Å; F240-S245 VanDerWaalsContact CD1-O 3.26Å; F240-S245 WeakPolarHBondContact CD1-O 3.13Å; F240-S246 CarbonylContact C-O 3.54Å; F240-S246 VanDerWaalsContact CA-O 3.31Å; F240-S246 WeakPolarHBondContact CA-O 3.31Å; F240-L247 HydrophobicContact CD1-CB 4.29Å; F240-L247 HydrophobicContact CD1-CD1 4.24Å; F240-L247 HydrophobicContact CE1-CB 4.16Å; F240-L247 HydrophobicContact CE1-CD1 3.93Å; F240-N278 PolarHBondContact O-ND2 3.33Å; F240-A283 HydrophobicContact CB-CB 3.88Å; F240-A283 HydrophobicContact CD2-CB 4.4Å
241	G	77.6	Confident	86.1	Confident	13 Å²	13	40.2 Å²	40.2	13%	0.134	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	165.2	178.3	0	0	0	0	0	111.5	S245 S246	G241-S245 CarbonylContact O-C 3.58Å; G241-S245 WeakPolarHBondContact O-CA 3.32Å; G241-S245 PolarHBondContact O-N 3.4Å; G241-S246 PolarHBondContact N-O 3.37Å; G241-S246 PolarHBondContact O-N 3.39Å; G241-S246 PolarHBondContact O-OG 2.91Å
242	G	70.5	Confident	86.4	Confident	24 Å²	24	36.2 Å²	36.2	25%	0.247	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	170.1	174.3	0	0	0	0	0	116.2	D244 S245	G242-D244 PolarHBondContact O-N 3.37Å; G242-S245 PolarHBondContact O-N 3.15Å
243	P	67.4	Low	86.7	Confident	95 Å²	95	33.6 Å²	33.6	62%	0.617	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.5	174.4	-18.1	29.2	0	0	0	113	D136	D136-P243 WeakPolarHBondContact O-CG 2.88Å
244	D	73.4	Confident	86.9	Confident	115 Å²	115	28.5 Å²	28.5	62%	0.615	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.1	-177.5	64	-16.7	0	0	0	113.6	G242 S246	G242-D244 PolarHBondContact O-N 3.37Å; D244-S246 PolarHBondContact O-N 3.14Å; D244-S246 PolarHBondContact OD1-N 2.7Å; D244-S246 PolarHBondContact OD1-OG 3.37Å; D244-S246 WeakPolarHBondContact OD2-CB 3.44Å; D244-S246 PolarHBondContact OD2-OG 2.9Å
245	S	79.2	Confident	86.6	Confident	59 Å²	59	29.3 Å²	29.3	41%	0.413	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	38.8	-174.3	-58	0	0	0	0	112.7	F240 G241 G242	F240-S245 VanDerWaalsContact CD1-O 3.26Å; F240-S245 WeakPolarHBondContact CD1-O 3.13Å; G241-S245 CarbonylContact O-C 3.58Å; G241-S245 WeakPolarHBondContact O-CA 3.32Å; G241-S245 PolarHBondContact O-N 3.4Å; G242-S245 PolarHBondContact O-N 3.15Å
246	S	84.9	Confident	86	Confident	29 Å²	29	34.7 Å²	34.7	20%	0.203	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.6	176.8	49.3	0	0	0	0	111.4	F240 G241 D244 K248	F240-S246 CarbonylContact C-O 3.54Å; F240-S246 VanDerWaalsContact CA-O 3.31Å; F240-S246 WeakPolarHBondContact CA-O 3.31Å; G241-S246 PolarHBondContact N-O 3.37Å; G241-S246 PolarHBondContact O-N 3.39Å; G241-S246 PolarHBondContact O-OG 2.91Å; D244-S246 PolarHBondContact O-N 3.14Å; D244-S246 PolarHBondContact OD1-N 2.7Å; D244-S246 PolarHBondContact OD1-OG 3.37Å; D244-S246 WeakPolarHBondContact OD2-CB 3.44Å; D244-S246 PolarHBondContact OD2-OG 2.9Å; S246-K248 PolarHBondContact O-N 3.4Å; S246-K248 VanDerWaalsContact OG-CE 3.25Å; S246-K248 WeakPolarHBondContact OG-CE 3.37Å
247	L	88.1	Confident	85	Confident	46 Å²	46	43.8 Å²	43.8	24%	0.241	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119	175.5	-177.3	70.3	0	0	0	109	V186 W190 P238 F240 G249 I250	V186-L247 HydrophobicContact CG1-CD2 3.7Å; V186-L247 HydrophobicContact CG1-CG 3.93Å; W190-L247 HydrophobicContact CB-CD2 3.63Å; W190-L247 HydrophobicContact CD2-CD2 3.8Å; W190-L247 HydrophobicContact CE3-CD2 4.42Å; W190-L247 HydrophobicContact CG-CD2 3.42Å; W190-L247 VanDerWaalsContact CG-CD2 3.42Å; P238-L247 HydrophobicContact CB-CD1 3.76Å; F240-L247 HydrophobicContact CD1-CB 4.29Å; F240-L247 HydrophobicContact CD1-CD1 4.24Å; F240-L247 HydrophobicContact CE1-CB 4.16Å; F240-L247 HydrophobicContact CE1-CD1 3.93Å; L247-G249 WeakPolarHBondContact CD1-O 3.45Å; L247-I250 HydrophobicContact CD1-CG2 4.16Å
248	K	85.3	Confident	83.8	Confident	89 Å²	89	47.4 Å²	47.4	39%	0.387	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-24.3	-175.9	-69.2	-59.1	-173.2	-171.4	0	113	W239 S246 P271 Y276	W239-K248 PolarHBondContact O-N 3.05Å; S246-K248 PolarHBondContact O-N 3.4Å; S246-K248 VanDerWaalsContact OG-CE 3.25Å; S246-K248 WeakPolarHBondContact OG-CE 3.37Å; K248-P271 WeakPolarHBondContact O-CD 3.45Å; K248-Y276 HydrophobicContact CB-CE2 3.61Å; K248-Y276 WeakPolarHBondContact CB-OH 3.36Å; K248-Y276 HydrophobicContact CG-CE2 4.46Å
249	G	89.7	Confident	82.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	172.9	176.1	0	0	0	0	0	112	W239 L247 V270	W239-G249 PolarHBondContact N-O 3.08Å; W239-G249 PolarHBondContact O-N 2.9Å; L247-G249 WeakPolarHBondContact CD1-O 3.45Å; G249-V270 CarbonylContact C-O 3.51Å; G249-V270 WeakPolarHBondContact CA-O 3.48Å
250	I	92	Very high	80.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.2	177.5	54.9	171.7	0	0	0	110.6	V186 I189 W190 V236 F237 L247 L252 V270	V186-I250 HydrophobicContact CG1-CG1 4.46Å; V186-I250 HydrophobicContact CG1-CG2 4.23Å; V186-I250 HydrophobicContact CG2-CG1 4.35Å; I189-I250 HydrophobicContact CB-CD1 3.51Å; I189-I250 HydrophobicContact CD1-CD1 3.85Å; I189-I250 HydrophobicContact CG1-CD1 4.28Å; I189-I250 HydrophobicContact CG2-CD1 3.33Å; W190-I250 HydrophobicContact CE3-CG2 4.35Å; V236-I250 HydrophobicContact CG1-CB 3.98Å; V236-I250 HydrophobicContact CG1-CD1 4.29Å; V236-I250 HydrophobicContact CG1-CG2 3.9Å; F237-I250 WeakPolarHBondContact O-CA 3.48Å; L247-I250 HydrophobicContact CD1-CG2 4.16Å; I250-L252 HydrophobicContact CD1-CD2 4.43Å; I250-V270 HydrophobicContact CG1-CB 4.23Å; I250-V270 PolarHBondContact N-O 3.27Å; I250-V270 PolarHBondContact O-N 2.92Å
251	K	92.4	Very high	79.6	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.026	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132	166.6	-169.4	-179.3	-177.7	-176.7	0	109.9	F237 W239 E267 A268 E298	F237-K251 HydrophobicContact CB-CB 4.34Å; F237-K251 PolarHBondContact N-O 3.4Å; F237-K251 PolarHBondContact O-N 2.73Å; W239-K251 HydrophobicContact CH2-CB 4Å; W239-K251 HydrophobicContact CH2-CD 4.49Å; W239-K251 HydrophobicContact CZ2-CB 3.66Å; W239-K251 HydrophobicContact CZ2-CD 3.97Å; W239-K251 HydrophobicContact CZ2-CG 4.29Å; K251-E267 WeakPolarHBondContact CE-OE2 3.36Å; K251-E267 IonicContact NZ-OE2 3.31Å; K251-E267 PolarHBondContact NZ-OE2 2.85Å; K251-A268 WeakPolarHBondContact CA-O 3.49Å; K251-E298 WeakPolarHBondContact CD-OE1 3.17Å; K251-E298 IonicContact NZ-OE1 2.74Å; K251-E298 PolarHBondContact NZ-OE1 3.18Å; K251-E298 VanDerWaalsContact NZ-OE1 3.08Å; K251-E298 IonicContact NZ-OE2 2.97Å; K251-E298 PolarHBondContact NZ-OE2 3.13Å; K251-E298 VanDerWaalsContact NZ-OE2 3.1Å
252	L	92.9	Very high	79.2	Confident	17 Å²	17	72.1 Å²	72.1	9%	0.089	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.5	179.1	-62.5	173.6	0	0	0	109.5	I189 L235 V236 I250 E267 A268	I189-L252 HydrophobicContact CD1-CD1 4.35Å; I189-L252 HydrophobicContact CG2-CD2 4.11Å; L235-L252 CarbonylContact O-C 3.57Å; L235-L252 WeakPolarHBondContact O-CA 3.44Å; V236-L252 HydrophobicContact CB-CD2 4.14Å; V236-L252 HydrophobicContact CG1-CD2 4.04Å; V236-L252 HydrophobicContact CG2-CD2 3.55Å; I250-L252 HydrophobicContact CD1-CD2 4.43Å; L252-E267 CarbonylContact O-C 3.51Å; L252-E267 VanDerWaalsContact O-CA 3.32Å; L252-E267 WeakPolarHBondContact O-CA 3.35Å; L252-A268 HydrophobicContact CB-CB 4.33Å; L252-A268 PolarHBondContact N-O 2.86Å; L252-A268 PolarHBondContact O-N 3.37Å
253	L	93.8	Very high	79.6	Confident	17 Å²	17	72.9 Å²	72.9	9%	0.089	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	109.8	171.1	-176	71.2	0	0	0	108.9	F211 S234 L235 F237 Y265 E267 L299	F211-L253 HydrophobicContact CD1-CD2 3.86Å; F211-L253 HydrophobicContact CD1-CG 4.22Å; F211-L253 HydrophobicContact CE1-CB 4.43Å; F211-L253 HydrophobicContact CE1-CD2 4.07Å; F211-L253 HydrophobicContact CE1-CG 3.92Å; F211-L253 WeakPolarHBondContact CE1-O 3.41Å; F211-L253 VanDerWaalsContact CZ-O 3.26Å; F211-L253 WeakPolarHBondContact CZ-O 3.49Å; S234-L253 CarbonylContact C-O 3.55Å; S234-L253 VanDerWaalsContact CA-O 3.25Å; S234-L253 WeakPolarHBondContact CA-O 3.32Å; S234-L253 WeakPolarHBondContact CB-O 3.18Å; L235-L253 HydrophobicContact CB-CB 4.42Å; L235-L253 PolarHBondContact N-O 3.43Å; L235-L253 PolarHBondContact O-N 3.4Å; F237-L253 HydrophobicContact CE2-CB 3.78Å; F237-L253 HydrophobicContact CE2-CD2 4.34Å; L253-Y265 HydrophobicContact CD1-CD1 4.48Å; L253-Y265 HydrophobicContact CG-CD1 4.44Å; L253-E267 HydrophobicContact CD1-CG 3.56Å; L253-L299 HydrophobicContact CD2-CD1 3.97Å; L253-L299 HydrophobicContact CD2-CG 4.43Å
254	S	91.6	Very high	80.3	Confident	21 Å²	21	70.7 Å²	70.7	15%	0.147	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.8	-179.1	-46.1	0	0	0	0	109.8	S234 Y265 H266	S234-S254 WeakPolarHBondContact OG-CB 3.38Å; S234-S254 PolarHBondContact OG-OG 2.93Å; S254-Y265 CarbonylContact O-C 3.53Å; S254-Y265 VanDerWaalsContact O-CA 3.32Å; S254-Y265 WeakPolarHBondContact O-CA 3.36Å; S254-H266 PolarHBondContact N-O 3.29Å; S254-H266 PolarHBondContact O-N 3.13Å
255	A	86.8	Confident	81	Confident	16 Å²	16	69.1 Å²	69.1	13%	0.132	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.4	175.5	0	0	0	0	0	110.1	M210 F211 V263 Y265	M210-A255 HydrophobicContact CE-CB 3.9Å; F211-A255 HydrophobicContact CD1-CB 4.35Å; F211-A255 HydrophobicContact CE1-CB 3.72Å; F211-A255 HydrophobicContact CE2-CB 4.43Å; F211-A255 HydrophobicContact CZ-CB 3.77Å; A255-V263 HydrophobicContact CB-CG1 3.92Å; A255-Y265 HydrophobicContact CB-CD1 3.95Å; A255-Y265 HydrophobicContact CB-CE1 3.81Å
256	Q	82.3	Confident	81.4	Confident	113 Å²	113	70.5 Å²	70.5	53%	0.528	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.3	174.1	-67.9	-177	7.7	0	0	109.7	V263 T264	Q256-V263 CarbonylContact O-C 3.24Å; Q256-V263 WeakPolarHBondContact O-CA 3.43Å; Q256-T264 PolarHBondContact N-O 3.31Å; Q256-T264 PolarHBondContact O-N 3.21Å; Q256-T264 PolarHBondContact O-OG1 3.04Å
257	R	74.8	Confident	81.5	Confident	191 Å²	191	74.9 Å²	74.9	72%	0.721	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.9	171.3	-71.9	-176.6	179	-176.6	-0.2	107.9	V263	R257-V263 HydrophobicContact CG-CG2 4.28Å
258	T	69.2	Low	81.5	Confident	78 Å²	78	75 Å²	75	48%	0.479	38%	0.383	S	S	.	.			trans	-83	157	168.8	-20.9	0	0	0	0	109.3	G260 E261 K262	T258-G260 PolarHBondContact O-N 3.47Å; T258-E261 PolarHBondContact O-N 3.03Å; T258-K262 PolarHBondContact N-O 3.48Å; T258-K262 VanDerWaalsContact N-O 3.14Å; T258-K262 PolarHBondContact OG1-O 3.31Å
259	D	61.8	Low	81.6	Confident	182 Å²	182	72.2 Å²	72.2	97%	0.973	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-2.4	-175.1	-72.3	-28.6	0	0	0	116.3
260	G	55.7	Low	81.4	Confident	62 Å²	62	72.9 Å²	72.9	64%	0.639	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	43.7	179.3	0	0	0	0	0	115.4	T258 K262	T258-G260 PolarHBondContact O-N 3.47Å; G260-K262 PolarHBondContact O-N 2.72Å
261	E	62.3	Low	80.9	Confident	194 Å²	194	73.5 Å²	73.5	91%	0.907	38%	0.382	S	S	*	.	S	Bend	trans	58.1	-7.3	178.9	-68.5	-172.4	157.3	0	0	116.9	T258	T258-E261 PolarHBondContact O-N 3.03Å
262	K	69.6	Low	79.9	Confident	160 Å²	160	77.2 Å²	77.2	70%	0.696	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-80	124.9	179.2	-158.9	174.9	-177.8	-178	0	109.9	T258 G260	T258-K262 PolarHBondContact N-O 3.48Å; T258-K262 VanDerWaalsContact N-O 3.14Å; T258-K262 PolarHBondContact OG1-O 3.31Å; G260-K262 PolarHBondContact O-N 2.72Å
263	V	78.8	Confident	78.2	Confident	40 Å²	40	79 Å²	79	24%	0.242	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.2	173.1	-177.6	0	0	0	0	108.4	A255 Q256 R257 Y265	A255-V263 HydrophobicContact CB-CG1 3.92Å; Q256-V263 CarbonylContact O-C 3.24Å; Q256-V263 WeakPolarHBondContact O-CA 3.43Å; R257-V263 HydrophobicContact CG-CG2 4.28Å; V263-Y265 HydrophobicContact CG1-CD1 4.45Å; V263-Y265 HydrophobicContact CG1-CE1 3.91Å; V263-Y265 HydrophobicContact CG1-CE2 4.14Å
264	T	81.9	Confident	76.6	Confident	50 Å²	50	82 Å²	82	31%	0.307	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134	169.8	52.7	0	0	0	0	109.4	Q256	Q256-T264 PolarHBondContact N-O 3.31Å; Q256-T264 PolarHBondContact O-N 3.21Å; Q256-T264 PolarHBondContact O-OG1 3.04Å
265	Y	87.4	Confident	75	Confident	81 Å²	81	85 Å²	85	32%	0.318	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.4	176.9	-62.6	-77.8	0	0	0	109.3	M210 F211 L253 S254 A255 V263	M210-Y265 PolarHBondContact O-OH 3.19Å; F211-Y265 HydrophobicContact CD1-CD1 4.13Å; F211-Y265 AromaticContact CD1-CE1 3.76Å; F211-Y265 HydrophobicContact CD1-CE1 3.76Å; F211-Y265 HydrophobicContact CE1-CD1 4.18Å; F211-Y265 HydrophobicContact CE1-CE1 4.16Å; L253-Y265 HydrophobicContact CD1-CD1 4.48Å; L253-Y265 HydrophobicContact CG-CD1 4.44Å; S254-Y265 CarbonylContact O-C 3.53Å; S254-Y265 VanDerWaalsContact O-CA 3.32Å; S254-Y265 WeakPolarHBondContact O-CA 3.36Å; A255-Y265 HydrophobicContact CB-CD1 3.95Å; A255-Y265 HydrophobicContact CB-CE1 3.81Å; V263-Y265 HydrophobicContact CG1-CD1 4.45Å; V263-Y265 HydrophobicContact CG1-CE1 3.91Å; V263-Y265 HydrophobicContact CG1-CE2 4.14Å
266	H	87.3	Confident	73.9	Confident	89 Å²	89	86.1 Å²	86.1	41%	0.412	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.8	176.5	-66.6	-79.9	0	0	0	109.2	S254	S254-H266 PolarHBondContact N-O 3.29Å; S254-H266 PolarHBondContact O-N 3.13Å
267	E	88.1	Confident	73.5	Confident	121 Å²	121	84.3 Å²	84.3	57%	0.565	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.8	177.3	-67.5	-179.1	-163.2	0	0	109.4	K251 L252 L253	K251-E267 WeakPolarHBondContact CE-OE2 3.36Å; K251-E267 IonicContact NZ-OE2 3.31Å; K251-E267 PolarHBondContact NZ-OE2 2.85Å; L252-E267 CarbonylContact O-C 3.51Å; L252-E267 VanDerWaalsContact O-CA 3.32Å; L252-E267 WeakPolarHBondContact O-CA 3.35Å; L253-E267 HydrophobicContact CD1-CG 3.56Å
268	A	88.1	Confident	73.8	Confident	47 Å²	47	75.5 Å²	75.5	39%	0.388	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.9	170.5	0	0	0	0	0	108.9	K251 L252	K251-A268 WeakPolarHBondContact CA-O 3.49Å; L252-A268 HydrophobicContact CB-CB 4.33Å; L252-A268 PolarHBondContact N-O 2.86Å; L252-A268 PolarHBondContact O-N 3.37Å
269	T	86.9	Confident	74.8	Confident	32 Å²	32	71.9 Å²	71.9	20%	0.196	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.3	-175.7	-59.5	0	0	0	0	109.6	W239 P271	W239-T269 HydrophobicContact CE3-CG2 4.43Å; W239-T269 HydrophobicContact CH2-CG2 3.24Å; W239-T269 HydrophobicContact CZ3-CG2 3.17Å; T269-P271 CarbonylContact C-O 3.5Å; T269-P271 WeakPolarHBondContact CG2-O 3.35Å
270	V	86.8	Confident	76.4	Confident	13 Å²	13	63.3 Å²	63.3	8%	0.079	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.1	177.6	-168.8	0	0	0	0	108.4	E185 V186 G249 I250	E185-V270 HydrophobicContact CB-CG1 4.29Å; E185-V270 HydrophobicContact CG-CG1 4.15Å; V186-V270 HydrophobicContact CG2-CB 4.03Å; V186-V270 HydrophobicContact CG2-CG1 3.66Å; V186-V270 WeakPolarHBondContact CG2-O 3.37Å; G249-V270 CarbonylContact C-O 3.51Å; G249-V270 WeakPolarHBondContact CA-O 3.48Å; I250-V270 HydrophobicContact CG1-CB 4.23Å; I250-V270 PolarHBondContact N-O 3.27Å; I250-V270 PolarHBondContact O-N 2.92Å
271	P	80.6	Confident	78.1	Confident	13 Å²	13	60.9 Å²	60.9	8%	0.084	32%	0.32	C	S	.	.	S	Bend	cis	-56.2	166.7	-5.7	-29.9	40.2	0	0	0	115.6	E182 K248 T269	E182-P271 HydrophobicContact CB-CB 4.39Å; E182-P271 HydrophobicContact CB-CG 4.32Å; E182-P271 WeakPolarHBondContact OE2-CB 3.42Å; K248-P271 WeakPolarHBondContact O-CD 3.45Å; T269-P271 CarbonylContact C-O 3.5Å; T269-P271 WeakPolarHBondContact CG2-O 3.35Å
272	K	71.1	Confident	79.4	Confident	85 Å²	85	53 Å²	53	37%	0.37	28%	0.284	S	S	.	.			trans	-49.2	145.6	177	-74.8	173.3	-177.6	164.6	0	112.3	E178 E182 S274 S275	E178-K272 IonicContact OE1-NZ 2.78Å; E178-K272 PolarHBondContact OE1-NZ 3.5Å; E182-K272 PolarHBondContact OE1-N 3.42Å; K272-S274 PolarHBondContact O-N 2.98Å; K272-S275 PolarHBondContact O-N 3.28Å; K272-S275 VanDerWaalsContact O-N 3.07Å
273	C	58.1	Low	80.3	Confident	55 Å²	55	47.7 Å²	47.7	37%	0.372	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.9	-169.7	-157.7	0	0	0	0	114.8	R317	C273-R317 PolarHBondContact O-NH1 3.32Å
274	S	59.1	Low	80.9	Confident	78 Å²	78	49.3 Å²	49.3	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-31.7	176.1	44.3	0	0	0	0	113	K272	K272-S274 PolarHBondContact O-N 2.98Å
275	S	58.2	Low	81.3	Confident	86 Å²	86	48 Å²	48	60%	0.601	27%	0.269	S	S	*	.	S	Bend	trans	-99.8	-2.7	-167.4	-53.5	0	0	0	0	114.1	K272	K272-S275 PolarHBondContact O-N 3.28Å; K272-S275 VanDerWaalsContact O-N 3.07Å
276	Y	63.9	Low	81.2	Confident	38 Å²	38	47 Å²	47	15%	0.149	27%	0.274	C	S	.	.			trans	-137.2	123.9	-169.3	-166.6	-103.7	0	0	0	115	W239 K248 N278	W239-Y276 HydrophobicContact CB-CE1 3.85Å; W239-Y276 HydrophobicContact CD2-CD1 4.41Å; W239-Y276 AromaticContact CD2-CE1 3.97Å; W239-Y276 HydrophobicContact CD2-CE1 3.97Å; W239-Y276 AromaticContact CE3-CD1 3.47Å; W239-Y276 HydrophobicContact CE3-CD1 3.47Å; W239-Y276 VanDerWaalsContact CE3-CD1 3.47Å; W239-Y276 AromaticContact CE3-CE1 3.35Å; W239-Y276 HydrophobicContact CE3-CE1 3.35Å; W239-Y276 HydrophobicContact CG-CE1 4.23Å; W239-Y276 AromaticContact CZ3-CD1 3.67Å; W239-Y276 HydrophobicContact CZ3-CD1 3.67Å; W239-Y276 HydrophobicContact CZ3-CE1 4.05Å; K248-Y276 HydrophobicContact CB-CE2 3.61Å; K248-Y276 WeakPolarHBondContact CB-OH 3.36Å; K248-Y276 HydrophobicContact CG-CE2 4.46Å; Y276-N278 HydrophobicContact CD1-CB 4.36Å; Y276-N278 HydrophobicContact CE1-CB 3.45Å; Y276-N278 VanDerWaalsContact CE1-CB 3.45Å; Y276-N278 WeakPolarHBondContact OH-CB 3.42Å; Y276-N278 PolarHBondContact OH-ND2 3.37Å
277	F	74.1	Confident	80.9	Confident	75 Å²	75	50.8 Å²	50.8	33%	0.329	28%	0.284	S	S	.	.			trans	-118.5	102.1	-177.9	-60.3	-70.8	0	0	0	111.2	P323 A325 L326	F277-P323 HydrophobicContact CD1-CB 3.49Å; F277-P323 VanDerWaalsContact CD1-CB 3.49Å; F277-P323 HydrophobicContact CD1-CG 3.58Å; F277-P323 HydrophobicContact CE1-CB 3.52Å; F277-P323 HydrophobicContact CE1-CG 3.65Å; F277-A325 HydrophobicContact CB-CB 4.27Å; F277-A325 HydrophobicContact CD2-CB 4.1Å; F277-A325 HydrophobicContact CG-CB 4.07Å; F277-L326 HydrophobicContact CB-CD2 3.82Å; F277-L326 HydrophobicContact CB-CG 4.4Å
278	N	81.8	Confident	80.8	Confident	6 Å²	6	53 Å²	53	3%	0.032	30%	0.297	C	S	.	.			trans	-144.2	158.3	171.5	-158	-21.2	0	0	0	112.3	W239 F240 Y276 P316	W239-N278 HydrophobicContact CB-CB 4.19Å; W239-N278 HydrophobicContact CG-CB 4.38Å; F240-N278 PolarHBondContact O-ND2 3.33Å; Y276-N278 HydrophobicContact CD1-CB 4.36Å; Y276-N278 HydrophobicContact CE1-CB 3.45Å; Y276-N278 VanDerWaalsContact CE1-CB 3.45Å; Y276-N278 WeakPolarHBondContact OH-CB 3.42Å; Y276-N278 PolarHBondContact OH-ND2 3.37Å; N278-P316 WeakPolarHBondContact O-CD 3.35Å; N278-P316 WeakPolarHBondContact O-CG 3.43Å
279	L	90.5	Very high	80.9	Confident	2 Å²	2	53 Å²	53	1%	0.01	29%	0.29	C	S	.	.			trans	-104.5	116.5	176	-69.6	171.1	0	0	0	109.4	G281 L282 V313 A314 L315 L326 L330	L279-G281 PolarHBondContact O-N 3.01Å; L279-L282 HydrophobicContact CB-CB 4.11Å; L279-L282 WeakPolarHBondContact O-CB 2.95Å; L279-L282 PolarHBondContact O-N 3.31Å; L279-L282 VanDerWaalsContact O-N 3.09Å; L279-V313 HydrophobicContact CB-CB 4.21Å; L279-V313 HydrophobicContact CD1-CG2 4.42Å; L279-V313 HydrophobicContact CD2-CG2 4.49Å; L279-A314 WeakPolarHBondContact CA-O 3.38Å; L279-L315 HydrophobicContact CD2-CD2 3.77Å; L279-L326 HydrophobicContact CD2-CD1 3.86Å; L279-L326 HydrophobicContact CG-CD1 4.17Å; L279-L326 HydrophobicContact CG-CD2 4.29Å; L279-L330 HydrophobicContact CD1-CD1 4.43Å; L279-L330 HydrophobicContact CD1-CD2 3.83Å; L279-L330 HydrophobicContact CD1-CG 3.97Å
280	F	93.6	Very high	81.2	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.013	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-63.2	128.3	176.6	175.1	-106.8	0	0	0	110.4	F224 V226 F237 P238 E298 T301 L302 V313 A314	F224-F280 HydrophobicContact CB-CZ 3.82Å; F224-F280 HydrophobicContact CD1-CD1 4.35Å; F224-F280 AromaticContact CD1-CE1 3.6Å; F224-F280 HydrophobicContact CD1-CE1 3.6Å; F224-F280 HydrophobicContact CD1-CE2 4.4Å; F224-F280 AromaticContact CD1-CZ 3.64Å; F224-F280 HydrophobicContact CD1-CZ 3.64Å; F224-F280 HydrophobicContact CE1-CE1 4.21Å; F224-F280 HydrophobicContact CG-CE1 4.37Å; F224-F280 HydrophobicContact CG-CZ 4.13Å; V226-F280 HydrophobicContact CG2-CZ 4.11Å; F237-F280 HydrophobicContact CB-CD2 4.11Å; F237-F280 HydrophobicContact CB-CE2 3.91Å; F237-F280 HydrophobicContact CB-CZ 4.47Å; F237-F280 HydrophobicContact CD1-CE1 4.28Å; F237-F280 HydrophobicContact CD1-CE2 4.08Å; F237-F280 AromaticContact CD1-CZ 3.79Å; F237-F280 HydrophobicContact CD1-CZ 3.79Å; F237-F280 HydrophobicContact CG-CE2 4.49Å; P238-F280 WeakPolarHBondContact O-CD2 3.25Å; F280-E298 HydrophobicContact CB-CG 3.92Å; F280-E298 HydrophobicContact CD1-CB 3.73Å; F280-E298 HydrophobicContact CD1-CG 3.7Å; F280-E298 HydrophobicContact CD2-CG 4.37Å; F280-E298 HydrophobicContact CE1-CB 3.88Å; F280-E298 HydrophobicContact CE1-CG 4.27Å; F280-E298 HydrophobicContact CG-CB 4.26Å; F280-E298 HydrophobicContact CG-CG 3.73Å; F280-T301 HydrophobicContact CD1-CG2 4.22Å; F280-T301 HydrophobicContact CE1-CG2 4.46Å; F280-L302 HydrophobicContact CE1-CD2 4.11Å; F280-L302 HydrophobicContact CE1-CG 4.45Å; F280-L302 HydrophobicContact CZ-CD2 4.23Å; F280-V313 CarbonylContact O-C 3.57Å; F280-V313 WeakPolarHBondContact O-CA 3.03Å; F280-A314 HydrophobicContact CB-CB 4.04Å; F280-A314 HydrophobicContact CD1-CB 4.29Å; F280-A314 PolarHBondContact N-O 3.08Å; F280-A314 PolarHBondContact O-N 3.01Å
281	G	92.1	Very high	81.6	Confident	10 Å²	10	56.3 Å²	56.3	10%	0.103	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-5.4	-175.2	0	0	0	0	0	114.9	L279 A283 L284	L279-G281 PolarHBondContact O-N 3.01Å; G281-A283 VanDerWaalsContact C-N 3.31Å; G281-A283 PolarHBondContact O-N 3.32Å; G281-L284 WeakPolarHBondContact O-CB 3.39Å; G281-L284 PolarHBondContact O-N 2.92Å
282	L	89.8	Confident	82.4	Confident	28 Å²	28	55.9 Å²	55.9	15%	0.147	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.6	-38.2	-178.5	-177	63.5	0	0	0	113.5	L279 L284 V285 Y329	L279-L282 HydrophobicContact CB-CB 4.11Å; L279-L282 WeakPolarHBondContact O-CB 2.95Å; L279-L282 PolarHBondContact O-N 3.31Å; L279-L282 VanDerWaalsContact O-N 3.09Å; L282-L284 PolarHBondContact O-N 2.83Å; L282-L284 VanDerWaalsContact O-N 3.11Å; L282-V285 VanDerWaalsContact O-CB 3.31Å; L282-V285 WeakPolarHBondContact O-CB 3.2Å; L282-V285 PolarHBondContact O-N 2.99Å; L282-Y329 HydrophobicContact CD1-CD1 4.48Å; L282-Y329 HydrophobicContact CD2-CD1 3.58Å; L282-Y329 HydrophobicContact CD2-CD2 4.41Å; L282-Y329 HydrophobicContact CD2-CE1 4.01Å; L282-Y329 HydrophobicContact CD2-CG 3.8Å
283	A	89.4	Confident	83.7	Confident	49 Å²	49	51.9 Å²	51.9	41%	0.405	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-63.9	-15.2	177.9	0	0	0	0	0	114.1	F240 G281	F240-A283 HydrophobicContact CB-CB 3.88Å; F240-A283 HydrophobicContact CD2-CB 4.4Å; G281-A283 VanDerWaalsContact C-N 3.31Å; G281-A283 PolarHBondContact O-N 3.32Å
284	L	90.6	Very high	85.6	Confident	74 Å²	74	49.3 Å²	49.3	39%	0.387	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-92.2	-6	177.1	-57.8	175.4	0	0	0	112.9	K223 F224 G281 L282	K223-L284 HydrophobicContact CD-CD1 4.47Å; K223-L284 HydrophobicContact CG-CD1 4.02Å; K223-L284 HydrophobicContact CG-CD2 4.24Å; K223-L284 WeakPolarHBondContact O-CD2 3.47Å; F224-L284 HydrophobicContact CD1-CD1 3.57Å; F224-L284 HydrophobicContact CD2-CD1 3.76Å; F224-L284 HydrophobicContact CE1-CD1 3.56Å; F224-L284 HydrophobicContact CE2-CD1 3.75Å; F224-L284 HydrophobicContact CG-CD1 3.68Å; F224-L284 HydrophobicContact CZ-CD1 3.65Å; G281-L284 WeakPolarHBondContact O-CB 3.39Å; G281-L284 PolarHBondContact O-N 2.92Å; L282-L284 PolarHBondContact O-N 2.83Å; L282-L284 VanDerWaalsContact O-N 3.11Å
285	V	90.1	Very high	87.3	Confident	24 Å²	24	45.6 Å²	45.6	15%	0.145	25%	0.246	C	C	.	.			trans	-82.5	127.9	179.9	176.9	0	0	0	0	109.6	L282 D289 P311 V313 F333	L282-V285 VanDerWaalsContact O-CB 3.31Å; L282-V285 WeakPolarHBondContact O-CB 3.2Å; L282-V285 PolarHBondContact O-N 2.99Å; V285-D289 HydrophobicContact CG1-CB 4.27Å; V285-P311 HydrophobicContact CG2-CB 4.4Å; V285-V313 HydrophobicContact CG2-CG1 4.06Å; V285-F333 HydrophobicContact CG1-CE1 3.76Å; V285-F333 HydrophobicContact CG1-CZ 3.48Å; V285-F333 VanDerWaalsContact CG1-CZ 3.48Å; V285-F333 HydrophobicContact CG2-CZ 4.31Å
286	S	86.3	Confident	89	Confident	59 Å²	59	42.1 Å²	42.1	41%	0.413	22%	0.224	S	C	.	.			trans	-84.6	150.7	172.5	-179.8	0	0	0	0	111.5	M288 D289	S286-M288 PolarHBondContact O-N 3.44Å; S286-M288 VanDerWaalsContact O-N 3.1Å; S286-M288 PolarHBondContact OG-N 2.89Å; S286-D289 WeakPolarHBondContact CB-OD2 3.31Å; S286-D289 PolarHBondContact N-OD2 2.93Å; S286-D289 WeakPolarHBondContact O-CB 3.39Å; S286-D289 PolarHBondContact O-N 3.19Å
287	R	80.9	Confident	90.4	Very high	169 Å²	169	41.8 Å²	41.8	64%	0.638	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.2	171.5	-65.7	-174	179.2	-158.7	-4	113.2	D136	D136-R287 IonicContact OD1-NH2 2.85Å
288	M	84.8	Confident	91.3	Very high	168 Å²	168	38.6 Å²	38.6	83%	0.828	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.5	178.1	-61.3	-60	179.4	0	0	113.2	S286 S290	S286-M288 PolarHBondContact O-N 3.44Å; S286-M288 VanDerWaalsContact O-N 3.1Å; S286-M288 PolarHBondContact OG-N 2.89Å; M288-S290 PolarHBondContact O-N 3.35Å
289	D	91.1	Very high	92	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.241	22%	0.216	C	C	.	.			trans	-71.5	116.4	-178.4	-69.7	-32.6	0	0	0	110.4	V285 S286 P311 F333	V285-D289 HydrophobicContact CG1-CB 4.27Å; S286-D289 WeakPolarHBondContact CB-OD2 3.31Å; S286-D289 PolarHBondContact N-OD2 2.93Å; S286-D289 WeakPolarHBondContact O-CB 3.39Å; S286-D289 PolarHBondContact O-N 3.19Å; D289-P311 HydrophobicContact CB-CB 4.46Å; D289-P311 HydrophobicContact CB-CG 3.77Å; D289-P311 WeakPolarHBondContact OD2-CG 3.2Å; D289-F333 HydrophobicContact CB-CE1 4Å; D289-F333 WeakPolarHBondContact O-CD1 3.22Å
290	S	92.9	Very high	92.2	Very high	66 Å²	66	39.8 Å²	39.8	46%	0.462	22%	0.219	S	C	.	.			trans	-92.4	-9.4	-179.4	69.4	0	0	0	0	113.7	M288 F333 K334 R335	M288-S290 PolarHBondContact O-N 3.35Å; S290-F333 CarbonylContact O-C 3.53Å; S290-K334 PolarHBondContact O-N 3.14Å; S290-R335 PolarHBondContact O-N 2.96Å
291	E	95.6	Very high	92.4	Very high	50 Å²	50	39.6 Å²	39.6	23%	0.234	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.4	-178.4	65.1	-178.2	177.8	0	0	113	L310 R335	E291-L310 HydrophobicContact CG-CD2 4.35Å; E291-L310 WeakPolarHBondContact OE1-CD2 3.47Å; E291-R335 VanDerWaalsContact CA-O 3.3Å; E291-R335 WeakPolarHBondContact CA-O 3.25Å; E291-R335 HydrophobicContact CB-CB 4.17Å; E291-R335 IonicContact OE1-NH2 2.59Å; E291-R335 IonicContact OE2-CZ 3.12Å; E291-R335 IonicContact OE2-NE 3.91Å; E291-R335 PolarHBondContact OE2-NE 3.42Å; E291-R335 IonicContact OE2-NH2 3.15Å; E291-R335 PolarHBondContact OE2-NH2 3.17Å
292	V	96.9	Very high	92.6	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.5	179	68.9	0	0	0	0	111.2	V294 P311 V313 L330 F333 R335 V336 T337	V292-V294 HydrophobicContact CG1-CG2 4.29Å; V292-P311 WeakPolarHBondContact CA-O 3.37Å; V292-V313 HydrophobicContact CG2-CG1 4.3Å; V292-V313 HydrophobicContact CG2-CG2 3.92Å; V292-L330 HydrophobicContact CG1-CD2 4.48Å; V292-F333 HydrophobicContact CB-CD1 3.8Å; V292-F333 HydrophobicContact CB-CD2 3.9Å; V292-F333 HydrophobicContact CB-CE1 3.71Å; V292-F333 HydrophobicContact CB-CE2 3.83Å; V292-F333 HydrophobicContact CB-CG 3.86Å; V292-F333 HydrophobicContact CB-CZ 3.68Å; V292-F333 HydrophobicContact CG1-CB 4.03Å; V292-F333 HydrophobicContact CG1-CD1 4.04Å; V292-F333 HydrophobicContact CG1-CD2 3.37Å; V292-F333 HydrophobicContact CG1-CE1 4.29Å; V292-F333 HydrophobicContact CG1-CE2 3.68Å; V292-F333 HydrophobicContact CG1-CG 3.54Å; V292-F333 HydrophobicContact CG1-CZ 4.09Å; V292-F333 HydrophobicContact CG2-CE1 4.36Å; V292-F333 HydrophobicContact CG2-CE2 4.14Å; V292-F333 HydrophobicContact CG2-CZ 3.93Å; V292-R335 PolarHBondContact N-O 3.32Å; V292-R335 VanDerWaalsContact N-O 3.16Å; V292-V336 HydrophobicContact CG1-CB 4.46Å; V292-V336 HydrophobicContact CG1-CG1 4.15Å; V292-V336 HydrophobicContact CG1-CG2 4.12Å; V292-T337 PolarHBondContact O-N 2.84Å
293	V	97.6	Very high	92.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.8	166.5	-174.2	0	0	0	0	109.2	T295 V304 L310 P311 S312 V313 T337 W339 V388	V293-T295 HydrophobicContact CG1-CG2 4.38Å; V293-V304 HydrophobicContact CB-CG1 3.82Å; V293-V304 HydrophobicContact CG1-CG1 3.91Å; V293-V304 HydrophobicContact CG1-CG2 4.25Å; V293-V304 HydrophobicContact CG2-CG1 3.95Å; V293-L310 HydrophobicContact CG2-CB 4.44Å; V293-L310 HydrophobicContact CG2-CD1 4.09Å; V293-P311 PolarHBondContact N-O 2.96Å; V293-S312 CarbonylContact O-C 3.48Å; V293-S312 WeakPolarHBondContact O-CA 3.24Å; V293-V313 PolarHBondContact O-N 3.26Å; V293-T337 CarbonylContact C-O 3.53Å; V293-T337 WeakPolarHBondContact CA-O 3.36Å; V293-W339 HydrophobicContact CG1-CB 4.18Å; V293-V388 HydrophobicContact CG2-CG1 4.4Å; V293-V388 HydrophobicContact CG2-CG2 4.38Å
294	V	97.4	Very high	93.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.9	176.1	-177	0	0	0	0	108.9	V292 V313 L315 L330 V336 T337 L338 W339 L340	V292-V294 HydrophobicContact CG1-CG2 4.29Å; V294-V313 WeakPolarHBondContact CA-O 3.43Å; V294-V313 HydrophobicContact CG2-CG2 3.95Å; V294-L315 HydrophobicContact CG1-CD1 4.16Å; V294-L315 HydrophobicContact CG1-CD2 3.73Å; V294-L315 HydrophobicContact CG1-CG 3.71Å; V294-L330 HydrophobicContact CG2-CD2 4.29Å; V294-V336 HydrophobicContact CG2-CG1 3.76Å; V294-T337 PolarHBondContact N-O 3.5Å; V294-L338 HydrophobicContact CB-CD2 3.74Å; V294-L338 HydrophobicContact CG1-CD2 4.22Å; V294-L338 HydrophobicContact CG2-CD2 4.17Å; V294-W339 PolarHBondContact O-N 3.13Å; V294-L340 HydrophobicContact CG1-CD2 4.21Å
295	T	96.6	Very high	93.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	164.1	-179.3	64.7	0	0	0	0	111	V293 S297 D300 T301 V304 V313 L315 P374	V293-T295 HydrophobicContact CG1-CG2 4.38Å; T295-S297 PolarHBondContact OG1-O 3.07Å; T295-D300 HydrophobicContact CG2-CB 4.09Å; T295-T301 PolarHBondContact OG1-OG1 3.06Å; T295-V304 HydrophobicContact CG2-CG2 3.91Å; T295-V313 PolarHBondContact N-O 2.86Å; T295-V313 PolarHBondContact OG1-O 2.7Å; T295-L315 PolarHBondContact O-N 3.22Å; T295-L315 VanDerWaalsContact O-N 3.11Å; T295-P374 HydrophobicContact CG2-CG 4.42Å
296	G	92.5	Very high	93.8	Very high	12 Å²	12	34 Å²	34	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	-88.5	-12.6	177.5	0	0	0	0	0	114.5	G318 L340	G296-G318 WeakPolarHBondContact O-CA 3.37Å; G296-L340 WeakPolarHBondContact CA-O 3.4Å; G296-L340 PolarHBondContact N-O 3.08Å
297	S	92.9	Very high	94.2	Very high	32 Å²	32	32.7 Å²	32.7	22%	0.224	17%	0.174	C	C	.	.	S	Bend	trans	-139.6	149.9	-178.1	80.2	0	0	0	0	112.1	T295 L299 D300 T301	T295-S297 PolarHBondContact OG1-O 3.07Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 3.35Å; S297-D300 PolarHBondContact O-N 3.07Å; S297-D300 VanDerWaalsContact OG-CB 3.29Å; S297-D300 WeakPolarHBondContact OG-CB 3.45Å; S297-D300 PolarHBondContact OG-N 2.78Å; S297-D300 VanDerWaalsContact OG-N 3.14Å; S297-D300 PolarHBondContact OG-OD2 3.32Å; S297-T301 PolarHBondContact O-N 3.47Å; S297-T301 VanDerWaalsContact O-N 3.16Å; S297-T301 PolarHBondContact O-OG1 2.7Å
298	E	94.6	Very high	94.9	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-37.1	178.8	-65.9	77.3	-171.2	0	0	111.5	F237 K251 F280 T301 L302 A314	F237-E298 HydrophobicContact CB-CG 4.16Å; F237-E298 HydrophobicContact CD1-CB 3.58Å; F237-E298 HydrophobicContact CD1-CG 4.1Å; F237-E298 HydrophobicContact CD2-CB 4.25Å; F237-E298 HydrophobicContact CD2-CG 4.31Å; F237-E298 HydrophobicContact CE1-CB 3.7Å; F237-E298 HydrophobicContact CE2-CB 4.35Å; F237-E298 HydrophobicContact CG-CB 3.87Å; F237-E298 HydrophobicContact CG-CG 3.92Å; F237-E298 HydrophobicContact CZ-CB 4.09Å; K251-E298 WeakPolarHBondContact CD-OE1 3.17Å; K251-E298 IonicContact NZ-OE1 2.74Å; K251-E298 PolarHBondContact NZ-OE1 3.18Å; K251-E298 VanDerWaalsContact NZ-OE1 3.08Å; K251-E298 IonicContact NZ-OE2 2.97Å; K251-E298 PolarHBondContact NZ-OE2 3.13Å; K251-E298 VanDerWaalsContact NZ-OE2 3.1Å; F280-E298 HydrophobicContact CB-CG 3.92Å; F280-E298 HydrophobicContact CD1-CB 3.73Å; F280-E298 HydrophobicContact CD1-CG 3.7Å; F280-E298 HydrophobicContact CD2-CG 4.37Å; F280-E298 HydrophobicContact CE1-CB 3.88Å; F280-E298 HydrophobicContact CE1-CG 4.27Å; F280-E298 HydrophobicContact CG-CB 4.26Å; F280-E298 HydrophobicContact CG-CG 3.73Å; E298-T301 WeakPolarHBondContact O-CB 3.3Å; E298-T301 PolarHBondContact O-N 3.38Å; E298-L302 WeakPolarHBondContact O-CG 3.36Å; E298-L302 PolarHBondContact O-N 2.71Å; E298-A314 HydrophobicContact CG-CB 4.3Å
299	L	95	Very high	95.3	Very high	19 Å²	19	20.6 Å²	20.6	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-65.4	-39.5	177.6	-63.6	-175.1	0	0	0	112.5	I213 L235 F237 L253 S297 T301 L302 A303 L375	I213-L299 HydrophobicContact CG2-CD1 4.14Å; I213-L299 HydrophobicContact CG2-CD2 3.83Å; I213-L299 HydrophobicContact CG2-CG 4.45Å; L235-L299 HydrophobicContact CD1-CD2 4.1Å; F237-L299 HydrophobicContact CE1-CD2 3.98Å; F237-L299 HydrophobicContact CZ-CD2 3.64Å; F237-L299 HydrophobicContact CZ-CG 4.27Å; L253-L299 HydrophobicContact CD2-CD1 3.97Å; L253-L299 HydrophobicContact CD2-CG 4.43Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 3.35Å; L299-T301 VanDerWaalsContact C-N 3.31Å; L299-T301 PolarHBondContact O-N 3.46Å; L299-L302 HydrophobicContact CD2-CD1 4.16Å; L299-L302 WeakPolarHBondContact O-CB 3.23Å; L299-L302 PolarHBondContact O-N 2.72Å; L299-A303 PolarHBondContact O-N 3.16Å; L299-A303 VanDerWaalsContact O-N 3.09Å; L299-L375 HydrophobicContact CB-CD2 4.11Å; L299-L375 HydrophobicContact CD1-CD2 4.17Å
300	D	95.7	Very high	95.4	Very high	14 Å²	14	20.2 Å²	20.2	8%	0.075	14%	0.137	C	C	.	.	H	α-helix	trans	-64.6	-37.7	175.2	-74.3	-39	0	0	0	111.4	T295 S297 L302 A303 V304 P374 L375	T295-D300 HydrophobicContact CG2-CB 4.09Å; S297-D300 PolarHBondContact O-N 3.07Å; S297-D300 VanDerWaalsContact OG-CB 3.29Å; S297-D300 WeakPolarHBondContact OG-CB 3.45Å; S297-D300 PolarHBondContact OG-N 2.78Å; S297-D300 VanDerWaalsContact OG-N 3.14Å; S297-D300 PolarHBondContact OG-OD2 3.32Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-L302 PolarHBondContact O-N 3.13Å; D300-A303 WeakPolarHBondContact O-CB 3.43Å; D300-A303 PolarHBondContact O-N 2.79Å; D300-V304 WeakPolarHBondContact O-CG2 3.36Å; D300-V304 PolarHBondContact O-N 2.83Å; D300-P374 HydrophobicContact CB-CB 3.83Å; D300-P374 HydrophobicContact CB-CG 3.78Å; D300-P374 WeakPolarHBondContact OD1-CD 3.47Å; D300-L375 VanDerWaalsContact OD1-CB 3.27Å; D300-L375 WeakPolarHBondContact OD1-CB 3.45Å; D300-L375 PolarHBondContact OD1-N 2.78Å
301	T	96.6	Very high	95.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-45.6	173.8	-59.1	0	0	0	0	111.8	F224 F280 T295 S297 E298 L299 A303 V304 S305 S312 A314	F224-T301 HydrophobicContact CE1-CG2 3.68Å; F224-T301 HydrophobicContact CZ-CG2 4.11Å; F280-T301 HydrophobicContact CD1-CG2 4.22Å; F280-T301 HydrophobicContact CE1-CG2 4.46Å; T295-T301 PolarHBondContact OG1-OG1 3.06Å; S297-T301 PolarHBondContact O-N 3.47Å; S297-T301 VanDerWaalsContact O-N 3.16Å; S297-T301 PolarHBondContact O-OG1 2.7Å; E298-T301 WeakPolarHBondContact O-CB 3.3Å; E298-T301 PolarHBondContact O-N 3.38Å; L299-T301 VanDerWaalsContact C-N 3.31Å; L299-T301 PolarHBondContact O-N 3.46Å; T301-A303 VanDerWaalsContact C-N 3.28Å; T301-A303 PolarHBondContact O-N 3.15Å; T301-V304 PolarHBondContact O-N 3.19Å; T301-S305 WeakPolarHBondContact O-CB 3.23Å; T301-S305 PolarHBondContact O-N 3.31Å; T301-S312 VanDerWaalsContact CG2-O 3.26Å; T301-S312 WeakPolarHBondContact CG2-O 3.32Å; T301-S312 VanDerWaalsContact CG2-OG 3.3Å; T301-S312 WeakPolarHBondContact CG2-OG 3.24Å; T301-S312 PolarHBondContact O-OG 3.35Å; T301-A314 WeakPolarHBondContact OG1-CB 3.48Å; T301-A314 PolarHBondContact OG1-N 3Å
302	L	96.9	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-42.7	176.4	-59.6	175.2	0	0	0	111	I216 T220 L221 F224 V226 F237 F280 E298 L299 D300 Q306	I216-L302 HydrophobicContact CD1-CB 3.84Å; I216-L302 HydrophobicContact CD1-CD1 4.18Å; I216-L302 HydrophobicContact CG2-CB 4.41Å; T220-L302 HydrophobicContact CG2-CB 4.16Å; T220-L302 HydrophobicContact CG2-CD2 4.19Å; L221-L302 HydrophobicContact CD2-CD1 3.87Å; F224-L302 HydrophobicContact CB-CD2 3.52Å; F224-L302 HydrophobicContact CD1-CD2 3.88Å; F224-L302 HydrophobicContact CD2-CD2 3.52Å; F224-L302 HydrophobicContact CE1-CD2 4.46Å; F224-L302 HydrophobicContact CE2-CD2 4.16Å; F224-L302 HydrophobicContact CG-CD2 3.36Å; V226-L302 HydrophobicContact CG2-CD1 4.15Å; V226-L302 HydrophobicContact CG2-CD2 4.1Å; F237-L302 HydrophobicContact CE1-CD1 4.37Å; F280-L302 HydrophobicContact CE1-CD2 4.11Å; F280-L302 HydrophobicContact CE1-CG 4.45Å; F280-L302 HydrophobicContact CZ-CD2 4.23Å; E298-L302 WeakPolarHBondContact O-CG 3.36Å; E298-L302 PolarHBondContact O-N 2.71Å; L299-L302 HydrophobicContact CD2-CD1 4.16Å; L299-L302 WeakPolarHBondContact O-CB 3.23Å; L299-L302 PolarHBondContact O-N 2.72Å; D300-L302 VanDerWaalsContact C-N 3.34Å; D300-L302 PolarHBondContact O-N 3.13Å; L302-Q306 WeakPolarHBondContact O-CB 2.99Å; L302-Q306 PolarHBondContact O-N 3.06Å
303	A	96.8	Very high	95.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-44.9	179.7	0	0	0	0	0	112.1	L299 D300 T301 Q306 G307 P374 L375 L378 L384	L299-A303 PolarHBondContact O-N 3.16Å; L299-A303 VanDerWaalsContact O-N 3.09Å; D300-A303 WeakPolarHBondContact O-CB 3.43Å; D300-A303 PolarHBondContact O-N 2.79Å; T301-A303 VanDerWaalsContact C-N 3.28Å; T301-A303 PolarHBondContact O-N 3.15Å; A303-Q306 PolarHBondContact O-N 2.98Å; A303-G307 PolarHBondContact O-N 3.08Å; A303-P374 HydrophobicContact CB-CB 4.28Å; A303-L375 HydrophobicContact CB-CB 4.47Å; A303-L375 HydrophobicContact CB-CD1 4.45Å; A303-L378 HydrophobicContact CB-CB 4.15Å; A303-L378 HydrophobicContact CB-CD2 3.82Å; A303-L384 WeakPolarHBondContact O-CD2 3.49Å
304	V	96.6	Very high	95.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-49.7	176.1	175.5	0	0	0	0	111.1	V293 T295 D300 T301 Q306 G307 T308 W339 P374	V293-V304 HydrophobicContact CB-CG1 3.82Å; V293-V304 HydrophobicContact CG1-CG1 3.91Å; V293-V304 HydrophobicContact CG1-CG2 4.25Å; V293-V304 HydrophobicContact CG2-CG1 3.95Å; T295-V304 HydrophobicContact CG2-CG2 3.91Å; D300-V304 WeakPolarHBondContact O-CG2 3.36Å; D300-V304 PolarHBondContact O-N 2.83Å; T301-V304 PolarHBondContact O-N 3.19Å; V304-Q306 VanDerWaalsContact C-N 3.29Å; V304-Q306 PolarHBondContact O-N 3.02Å; V304-G307 PolarHBondContact O-N 3.19Å; V304-T308 HydrophobicContact CG1-CG2 4.23Å; V304-T308 WeakPolarHBondContact O-CB 3.11Å; V304-T308 PolarHBondContact O-N 3.11Å; V304-T308 PolarHBondContact O-OG1 2.63Å; V304-W339 HydrophobicContact CG2-CE3 4.09Å; V304-W339 HydrophobicContact CG2-CZ3 4.3Å; V304-P374 HydrophobicContact CG2-CB 3.61Å; V304-P374 HydrophobicContact CG2-CG 3.88Å
305	S	96.3	Very high	95.2	Very high	9 Å²	9	15.8 Å²	15.8	6%	0.063	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-42.6	-178.7	-162.4	0	0	0	0	111.5	K223 F224 T301 G309 S312	K223-S305 PolarHBondContact NZ-OG 3.13Å; F224-S305 WeakPolarHBondContact CE2-OG 3.49Å; T301-S305 WeakPolarHBondContact O-CB 3.23Å; T301-S305 PolarHBondContact O-N 3.31Å; S305-G309 VanDerWaalsContact O-CA 3.29Å; S305-G309 WeakPolarHBondContact O-CA 3.48Å; S305-G309 PolarHBondContact O-N 2.78Å; S305-S312 WeakPolarHBondContact CB-OG 3.39Å
306	Q	96.1	Very high	94.7	Very high	59 Å²	59	16.1 Å²	16.1	28%	0.276	11%	0.114	S	C	.	.	H	α-helix	trans	-68.2	-44.7	177.7	-175.1	175.2	-70.8	0	0	112.9	K215 S217 T220 L302 A303 V304	K215-Q306 PolarHBondContact O-NE2 3.17Å; S217-Q306 PolarHBondContact OG-OE1 3.5Å; S217-Q306 VanDerWaalsContact OG-OE1 3.1Å; T220-Q306 HydrophobicContact CG2-CB 4.23Å; T220-Q306 PolarHBondContact OG1-OE1 2.66Å; L302-Q306 WeakPolarHBondContact O-CB 2.99Å; L302-Q306 PolarHBondContact O-N 3.06Å; A303-Q306 PolarHBondContact O-N 2.98Å; V304-Q306 VanDerWaalsContact C-N 3.29Å; V304-Q306 PolarHBondContact O-N 3.02Å
307	G	94.5	Very high	94.3	Very high	31 Å²	31	18.3 Å²	18.3	32%	0.32	12%	0.118	S	C	.	.	H	α-helix	trans	-81.4	-23.7	-172.5	0	0	0	0	0	114.5	A303 V304	A303-G307 PolarHBondContact O-N 3.08Å; V304-G307 PolarHBondContact O-N 3.19Å
308	T	94.9	Very high	94	Very high	24 Å²	24	17.2 Å²	17.2	15%	0.147	11%	0.112	C	C	.	.	H	α-helix	trans	-115.8	-25.2	-175.6	70.1	0	0	0	0	113.9	V304 L310 L384 V388	V304-T308 HydrophobicContact CG1-CG2 4.23Å; V304-T308 WeakPolarHBondContact O-CB 3.11Å; V304-T308 PolarHBondContact O-N 3.11Å; V304-T308 PolarHBondContact O-OG1 2.63Å; T308-L310 PolarHBondContact O-N 3.43Å; T308-L310 WeakPolarHBondContact OG1-CB 2.98Å; T308-L310 PolarHBondContact OG1-N 3.35Å; T308-L310 VanDerWaalsContact OG1-N 3.11Å; T308-L384 HydrophobicContact CG2-CB 3.61Å; T308-V388 HydrophobicContact CG2-CG2 4.31Å
309	G	92.9	Very high	93.7	Very high	58 Å²	58	19.1 Å²	19.1	60%	0.598	12%	0.124	S	C	*	.			trans	71.6	-1.2	-169.5	0	0	0	0	0	114.3	S305	S305-G309 VanDerWaalsContact O-CA 3.29Å; S305-G309 WeakPolarHBondContact O-CA 3.48Å; S305-G309 PolarHBondContact O-N 2.78Å
310	L	94.2	Very high	93.3	Very high	37 Å²	37	20.6 Å²	20.6	19%	0.194	14%	0.136	C	C	.	.	S	Bend	trans	-74.8	152.8	179.8	-63.1	177	0	0	0	111.4	E291 V293 T308 S312 V388	E291-L310 HydrophobicContact CG-CD2 4.35Å; E291-L310 WeakPolarHBondContact OE1-CD2 3.47Å; V293-L310 HydrophobicContact CG2-CB 4.44Å; V293-L310 HydrophobicContact CG2-CD1 4.09Å; T308-L310 PolarHBondContact O-N 3.43Å; T308-L310 WeakPolarHBondContact OG1-CB 2.98Å; T308-L310 PolarHBondContact OG1-N 3.35Å; T308-L310 VanDerWaalsContact OG1-N 3.11Å; L310-S312 PolarHBondContact O-N 3.29Å; L310-V388 HydrophobicContact CD1-CG1 4.09Å
311	P	95.4	Very high	92.9	Very high	24 Å²	24	20 Å²	20	16%	0.156	13%	0.133	C	C	.	.			trans	-57.4	129.4	165.2	-20.4	32.4	0	0	0	109.6	V285 D289 V292 V293	V285-P311 HydrophobicContact CG2-CB 4.4Å; D289-P311 HydrophobicContact CB-CB 4.46Å; D289-P311 HydrophobicContact CB-CG 3.77Å; D289-P311 WeakPolarHBondContact OD2-CG 3.2Å; V292-P311 WeakPolarHBondContact CA-O 3.37Å; V293-P311 PolarHBondContact N-O 2.96Å
312	S	96.1	Very high	92.7	Very high	4 Å²	4	20 Å²	20	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.4	-177.2	59.2	0	0	0	0	110.2	V293 T301 S305 L310	V293-S312 CarbonylContact O-C 3.48Å; V293-S312 WeakPolarHBondContact O-CA 3.24Å; T301-S312 VanDerWaalsContact CG2-O 3.26Å; T301-S312 WeakPolarHBondContact CG2-O 3.32Å; T301-S312 VanDerWaalsContact CG2-OG 3.3Å; T301-S312 WeakPolarHBondContact CG2-OG 3.24Å; T301-S312 PolarHBondContact O-OG 3.35Å; S305-S312 WeakPolarHBondContact CB-OG 3.39Å; L310-S312 PolarHBondContact O-N 3.29Å
313	V	96.1	Very high	92.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.7	179.1	-61.5	0	0	0	0	111.4	L279 F280 V285 V292 V293 V294 T295 L330	L279-V313 HydrophobicContact CB-CB 4.21Å; L279-V313 HydrophobicContact CD1-CG2 4.42Å; L279-V313 HydrophobicContact CD2-CG2 4.49Å; F280-V313 CarbonylContact O-C 3.57Å; F280-V313 WeakPolarHBondContact O-CA 3.03Å; V285-V313 HydrophobicContact CG2-CG1 4.06Å; V292-V313 HydrophobicContact CG2-CG1 4.3Å; V292-V313 HydrophobicContact CG2-CG2 3.92Å; V293-V313 PolarHBondContact O-N 3.26Å; V294-V313 WeakPolarHBondContact CA-O 3.43Å; V294-V313 HydrophobicContact CG2-CG2 3.95Å; T295-V313 PolarHBondContact N-O 2.86Å; T295-V313 PolarHBondContact OG1-O 2.7Å; V313-L330 HydrophobicContact CG2-CD2 4.16Å
314	A	95.1	Very high	91.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.2	174	0	0	0	0	0	111.8	L279 F280 E298 T301	L279-A314 WeakPolarHBondContact CA-O 3.38Å; F280-A314 HydrophobicContact CB-CB 4.04Å; F280-A314 HydrophobicContact CD1-CB 4.29Å; F280-A314 PolarHBondContact N-O 3.08Å; F280-A314 PolarHBondContact O-N 3.01Å; E298-A314 HydrophobicContact CG-CB 4.3Å; T301-A314 WeakPolarHBondContact OG1-CB 3.48Å; T301-A314 PolarHBondContact OG1-N 3Å
315	L	92.8	Very high	91.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	15%	0.146	C	C	.	.			trans	-74.3	136.7	172.1	-61.9	-179.9	0	0	0	110.7	L279 V294 T295 R317 G318 L322 L340 F353	L279-L315 HydrophobicContact CD2-CD2 3.77Å; V294-L315 HydrophobicContact CG1-CD1 4.16Å; V294-L315 HydrophobicContact CG1-CD2 3.73Å; V294-L315 HydrophobicContact CG1-CG 3.71Å; T295-L315 PolarHBondContact O-N 3.22Å; T295-L315 VanDerWaalsContact O-N 3.11Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.86Å; L315-G318 WeakPolarHBondContact CD1-O 3.45Å; L315-G318 PolarHBondContact O-N 2.89Å; L315-L322 HydrophobicContact CD2-CD1 3.66Å; L315-L340 HydrophobicContact CD1-CD2 3.95Å; L315-F353 HydrophobicContact CD1-CD2 3.77Å; L315-F353 HydrophobicContact CD1-CE2 3.53Å
316	P	86.2	Confident	91	Very high	7 Å²	7	21.2 Å²	21.2	5%	0.045	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.6	-175.6	24.3	-32.7	0	0	0	112.5	W239 N278 L326	W239-P316 HydrophobicContact CZ2-CB 4.4Å; N278-P316 WeakPolarHBondContact O-CD 3.35Å; N278-P316 WeakPolarHBondContact O-CG 3.43Å; P316-L326 HydrophobicContact CG-CD1 3.87Å
317	R	84.1	Confident	90.8	Very high	58 Å²	58	18.4 Å²	18.4	22%	0.219	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	22.4	179	-59.9	-163.1	-69.7	-104.3	9.5	113.1	C273 L315 V319 S320 C321	C273-R317 PolarHBondContact O-NH1 3.32Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.86Å; R317-V319 PolarHBondContact O-N 2.78Å; R317-S320 WeakPolarHBondContact O-CB 3.46Å; R317-S320 PolarHBondContact O-N 2.82Å; R317-C321 HydrophobicContact CB-CB 4.45Å; R317-C321 PolarHBondContact NH2-SG 3.23Å
318	G	87.8	Confident	90.6	Very high	10 Å²	10	17.3 Å²	17.3	10%	0.103	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	-126.4	179.3	0	0	0	0	0	114.1	G296 L315 S320	G296-G318 WeakPolarHBondContact O-CA 3.37Å; L315-G318 WeakPolarHBondContact CD1-O 3.45Å; L315-G318 PolarHBondContact O-N 2.89Å; G318-S320 VanDerWaalsContact C-N 3.29Å; G318-S320 PolarHBondContact O-N 3Å
319	V	88.6	Confident	90.3	Very high	47 Å²	47	18.1 Å²	18.1	29%	0.285	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7	-178.6	-62.8	0	0	0	0	114	R317 L340 A349	R317-V319 PolarHBondContact O-N 2.78Å; V319-L340 HydrophobicContact CG1-CB 3.95Å; V319-L340 HydrophobicContact CG1-CD1 4.45Å; V319-A349 HydrophobicContact CB-CB 3.9Å; V319-A349 HydrophobicContact CG1-CB 4.28Å
320	S	85.8	Confident	90.3	Very high	50 Å²	50	15.4 Å²	15.4	35%	0.35	9%	0.089	S	C	.	.	S	Bend	trans	-78.5	-35.1	-173.5	-55.1	0	0	0	0	112.7	R317 G318 N470	R317-S320 WeakPolarHBondContact O-CB 3.46Å; R317-S320 PolarHBondContact O-N 2.82Å; G318-S320 VanDerWaalsContact C-N 3.29Å; G318-S320 PolarHBondContact O-N 3Å; S320-N470 PolarHBondContact O-ND2 3.34Å
321	C	87.7	Confident	90.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.081	C	C	.	.			trans	-160.2	140.6	-178.1	-179.2	0	0	0	0	112.8	R317 D541	R317-C321 HydrophobicContact CB-CB 4.45Å; R317-C321 PolarHBondContact NH2-SG 3.23Å; C321-D541 VanDerWaalsContact CA-OD2 3.27Å; C321-D541 WeakPolarHBondContact CA-OD2 3.24Å; C321-D541 HydrophobicContact CB-CB 4.26Å; C321-D541 PolarHBondContact SG-OD2 3.39Å
322	L	91.9	Very high	89.8	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.089	C	C	.	.			trans	-112.9	96.8	164.7	173.8	58.7	0	0	0	109	L315 L327 F353 K356 L357 D541	L315-L322 HydrophobicContact CD2-CD1 3.66Å; L322-L327 HydrophobicContact CD2-CD2 4.22Å; L322-L327 HydrophobicContact CG-CD2 4.42Å; L322-F353 HydrophobicContact CB-CB 4.46Å; L322-F353 HydrophobicContact CB-CD1 3.62Å; L322-F353 HydrophobicContact CB-CD2 3.98Å; L322-F353 HydrophobicContact CB-CE1 3.76Å; L322-F353 HydrophobicContact CB-CE2 4.1Å; L322-F353 HydrophobicContact CB-CG 3.75Å; L322-F353 HydrophobicContact CB-CZ 4.01Å; L322-F353 HydrophobicContact CD2-CB 3.73Å; L322-F353 HydrophobicContact CD2-CD1 4.41Å; L322-F353 HydrophobicContact CD2-CD2 4.43Å; L322-F353 HydrophobicContact CD2-CG 3.96Å; L322-K356 PolarHBondContact O-NZ 3.5Å; L322-L357 HydrophobicContact CD2-CD1 3.9Å; L322-L357 HydrophobicContact CD2-CD2 4.24Å; L322-L357 HydrophobicContact CD2-CG 3.89Å; L322-D541 PolarHBondContact N-OD2 3.26Å
323	P	88.1	Confident	89.7	Confident	3 Å²	3	15.9 Å²	15.9	2%	0.019	9%	0.088	C	C	.	.			trans	-63.1	135.8	-179.9	-23.4	33.4	0	0	0	112.8	F277 A325 L326	F277-P323 HydrophobicContact CD1-CB 3.49Å; F277-P323 VanDerWaalsContact CD1-CB 3.49Å; F277-P323 HydrophobicContact CD1-CG 3.58Å; F277-P323 HydrophobicContact CE1-CB 3.52Å; F277-P323 HydrophobicContact CE1-CG 3.65Å; P323-A325 PolarHBondContact O-N 2.94Å; P323-L326 HydrophobicContact CB-CG 4.34Å; P323-L326 HydrophobicContact CG-CD1 4.24Å; P323-L326 WeakPolarHBondContact O-CB 3.16Å; P323-L326 PolarHBondContact O-N 3.19Å
324	P	88.2	Confident	89.6	Confident	9 Å²	9	23.2 Å²	23.2	6%	0.058	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-57.7	-30.9	175.8	-32	41.3	0	0	0	114.7	L326 L327 P328 Y538 L539	P324-L326 PolarHBondContact O-N 2.68Å; P324-L327 HydrophobicContact CB-CD1 4.14Å; P324-L327 WeakPolarHBondContact O-CB 3.4Å; P324-L327 WeakPolarHBondContact O-CG 3.12Å; P324-L327 PolarHBondContact O-N 2.96Å; P324-P328 WeakPolarHBondContact O-CD 3.46Å; P324-Y538 HydrophobicContact CB-CE1 3.77Å; P324-Y538 HydrophobicContact CG-CD1 3.75Å; P324-Y538 HydrophobicContact CG-CE1 3.43Å; P324-Y538 VanDerWaalsContact CG-CE1 3.43Å; P324-L539 HydrophobicContact CB-CD2 4.49Å; P324-L539 HydrophobicContact CG-CD2 3.92Å
325	A	85.5	Confident	89.6	Confident	22 Å²	22	28.7 Å²	28.7	18%	0.182	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-55.1	-22.7	173.6	0	0	0	0	0	113.6	F277 P323 P328	F277-A325 HydrophobicContact CB-CB 4.27Å; F277-A325 HydrophobicContact CD2-CB 4.1Å; F277-A325 HydrophobicContact CG-CB 4.07Å; P323-A325 PolarHBondContact O-N 2.94Å; A325-P328 WeakPolarHBondContact O-CD 3.49Å
326	L	89.1	Confident	89.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-88.4	-15.5	178.2	-59.1	-177.7	0	0	0	114	F277 L279 P316 P323 P324 Y329	F277-L326 HydrophobicContact CB-CD2 3.82Å; F277-L326 HydrophobicContact CB-CG 4.4Å; L279-L326 HydrophobicContact CD2-CD1 3.86Å; L279-L326 HydrophobicContact CG-CD1 4.17Å; L279-L326 HydrophobicContact CG-CD2 4.29Å; P316-L326 HydrophobicContact CG-CD1 3.87Å; P323-L326 HydrophobicContact CB-CG 4.34Å; P323-L326 HydrophobicContact CG-CD1 4.24Å; P323-L326 WeakPolarHBondContact O-CB 3.16Å; P323-L326 PolarHBondContact O-N 3.19Å; P324-L326 PolarHBondContact O-N 2.68Å; L326-Y329 HydrophobicContact CD2-CD2 4.36Å; L326-Y329 PolarHBondContact O-N 3.3Å
327	L	91.8	Very high	90.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-40.4	-176.7	-58.7	176.4	0	0	0	113.1	L322 P324 Y329 L330 E331 K356 L357 Y538	L322-L327 HydrophobicContact CD2-CD2 4.22Å; L322-L327 HydrophobicContact CG-CD2 4.42Å; P324-L327 HydrophobicContact CB-CD1 4.14Å; P324-L327 WeakPolarHBondContact O-CB 3.4Å; P324-L327 WeakPolarHBondContact O-CG 3.12Å; P324-L327 PolarHBondContact O-N 2.96Å; L327-Y329 VanDerWaalsContact C-N 3.25Å; L327-Y329 PolarHBondContact O-N 3.33Å; L327-L330 CarbonylContact O-C 3.57Å; L327-L330 PolarHBondContact O-N 3.43Å; L327-E331 PolarHBondContact O-N 3.4Å; L327-E331 VanDerWaalsContact O-N 3.11Å; L327-K356 HydrophobicContact CD1-CB 4.48Å; L327-K356 HydrophobicContact CD2-CB 4.24Å; L327-L357 HydrophobicContact CD2-CD2 3.56Å; L327-L357 HydrophobicContact CD2-CG 4.26Å; L327-Y538 WeakPolarHBondContact CD1-OH 3.37Å
328	P	89.8	Confident	91	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.045	13%	0.129	C	C	.	.	H	α-helix	trans	-52.7	-41.8	174.2	-30.2	37.3	0	0	0	112.9	F124 L133 K135 P324 A325 L330 E331	F124-P328 HydrophobicContact CB-CB 3.75Å; F124-P328 HydrophobicContact CB-CG 3.93Å; F124-P328 HydrophobicContact CD1-CB 4.41Å; F124-P328 HydrophobicContact CD2-CB 4.17Å; F124-P328 HydrophobicContact CG-CB 3.85Å; L133-P328 HydrophobicContact CB-CG 4.19Å; L133-P328 HydrophobicContact CD2-CB 3.97Å; L133-P328 HydrophobicContact CD2-CG 4.02Å; K135-P328 VanDerWaalsContact CE-C 3.41Å; K135-P328 WeakPolarHBondContact CE-O 3.47Å; K135-P328 PolarHBondContact NZ-O 2.88Å; P324-P328 WeakPolarHBondContact O-CD 3.46Å; A325-P328 WeakPolarHBondContact O-CD 3.49Å; P328-L330 VanDerWaalsContact C-N 3.26Å; P328-L330 PolarHBondContact O-N 3.24Å; P328-E331 WeakPolarHBondContact O-CB 3.47Å; P328-E331 PolarHBondContact O-N 3.07Å
329	Y	88.8	Confident	91.4	Very high	41 Å²	41	25.3 Å²	25.3	16%	0.161	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-30	180	-61.6	-70	0	0	0	113	L133 K135 L282 L326 L327 E331	L133-Y329 HydrophobicContact CD2-CD2 4.49Å; L133-Y329 HydrophobicContact CD2-CE2 3.72Å; K135-Y329 HydrophobicContact CD-CD1 4.48Å; K135-Y329 HydrophobicContact CG-CE1 4.39Å; L282-Y329 HydrophobicContact CD1-CD1 4.48Å; L282-Y329 HydrophobicContact CD2-CD1 3.58Å; L282-Y329 HydrophobicContact CD2-CD2 4.41Å; L282-Y329 HydrophobicContact CD2-CE1 4.01Å; L282-Y329 HydrophobicContact CD2-CG 3.8Å; L326-Y329 HydrophobicContact CD2-CD2 4.36Å; L326-Y329 PolarHBondContact O-N 3.3Å; L327-Y329 VanDerWaalsContact C-N 3.25Å; L327-Y329 PolarHBondContact O-N 3.33Å; Y329-E331 VanDerWaalsContact C-N 3.35Å
330	L	92.6	Very high	91.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-87	-6.8	178.8	-62.3	174.2	0	0	0	113	L279 V292 V294 V313 L327 P328 Q332 F333 L357 R361	L279-L330 HydrophobicContact CD1-CD1 4.43Å; L279-L330 HydrophobicContact CD1-CD2 3.83Å; L279-L330 HydrophobicContact CD1-CG 3.97Å; V292-L330 HydrophobicContact CG1-CD2 4.48Å; V294-L330 HydrophobicContact CG2-CD2 4.29Å; V313-L330 HydrophobicContact CG2-CD2 4.16Å; L327-L330 CarbonylContact O-C 3.57Å; L327-L330 PolarHBondContact O-N 3.43Å; P328-L330 VanDerWaalsContact C-N 3.26Å; P328-L330 PolarHBondContact O-N 3.24Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-Q332 PolarHBondContact O-N 3.02Å; L330-F333 HydrophobicContact CD2-CD2 4.27Å; L330-F333 HydrophobicContact CD2-CE2 4.05Å; L330-F333 WeakPolarHBondContact O-CD2 3.48Å; L330-F333 PolarHBondContact O-N 3.16Å; L330-L357 HydrophobicContact CB-CD2 3.96Å; L330-L357 HydrophobicContact CD1-CD2 3.49Å; L330-L357 VanDerWaalsContact CD1-CD2 3.49Å; L330-L357 HydrophobicContact CG-CD2 4.38Å; L330-R361 PolarHBondContact O-NH1 3.48Å; L330-R361 PolarHBondContact O-NH2 3.25Å
331	E	91	Very high	91.8	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.028	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.4	-172.5	-168.6	59.6	-156.1	0	0	113.8	G101 Y102 S103 C104 H106 F124 L327 P328 Y329 F333	G101-E331 WeakPolarHBondContact CA-OE1 3.45Å; Y102-E331 PolarHBondContact N-OE1 3.13Å; S103-E331 PolarHBondContact N-OE2 3.28Å; S103-E331 VanDerWaalsContact N-OE2 3.08Å; S103-E331 PolarHBondContact OG-OE2 3.26Å; C104-E331 PolarHBondContact N-OE2 3.23Å; H106-E331 IonicContact CE1-OE1 2.64Å; H106-E331 PolarHBondContact CE1-OE1 2.81Å; H106-E331 VanDerWaalsContact NE2-CD 3.31Å; H106-E331 WeakPolarHBondContact NE2-CG 3.11Å; H106-E331 IonicContact NE2-OE1 2.7Å; H106-E331 PolarHBondContact NE2-OE1 3.32Å; F124-E331 HydrophobicContact CD1-CB 4.35Å; F124-E331 HydrophobicContact CD1-CG 4.06Å; F124-E331 HydrophobicContact CE1-CB 4.21Å; F124-E331 HydrophobicContact CE1-CG 3.98Å; L327-E331 PolarHBondContact O-N 3.4Å; L327-E331 VanDerWaalsContact O-N 3.11Å; P328-E331 WeakPolarHBondContact O-CB 3.47Å; P328-E331 PolarHBondContact O-N 3.07Å; Y329-E331 VanDerWaalsContact C-N 3.35Å; E331-F333 PolarHBondContact O-N 3.01Å
332	Q	88.7	Confident	91.7	Very high	70 Å²	70	23.4 Å²	23.4	33%	0.327	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.1	-179.7	67.4	-174.5	-22.9	0	0	113.6	L330	L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-Q332 PolarHBondContact O-N 3.02Å
333	F	93.6	Very high	91.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.			trans	-83.8	125.9	-172.2	-54.7	-69.2	0	0	0	111.8	V285 D289 S290 V292 L330 E331 R335 V336 R361	V285-F333 HydrophobicContact CG1-CE1 3.76Å; V285-F333 HydrophobicContact CG1-CZ 3.48Å; V285-F333 VanDerWaalsContact CG1-CZ 3.48Å; V285-F333 HydrophobicContact CG2-CZ 4.31Å; D289-F333 HydrophobicContact CB-CE1 4Å; D289-F333 WeakPolarHBondContact O-CD1 3.22Å; S290-F333 CarbonylContact O-C 3.53Å; V292-F333 HydrophobicContact CB-CD1 3.8Å; V292-F333 HydrophobicContact CB-CD2 3.9Å; V292-F333 HydrophobicContact CB-CE1 3.71Å; V292-F333 HydrophobicContact CB-CE2 3.83Å; V292-F333 HydrophobicContact CB-CG 3.86Å; V292-F333 HydrophobicContact CB-CZ 3.68Å; V292-F333 HydrophobicContact CG1-CB 4.03Å; V292-F333 HydrophobicContact CG1-CD1 4.04Å; V292-F333 HydrophobicContact CG1-CD2 3.37Å; V292-F333 HydrophobicContact CG1-CE1 4.29Å; V292-F333 HydrophobicContact CG1-CE2 3.68Å; V292-F333 HydrophobicContact CG1-CG 3.54Å; V292-F333 HydrophobicContact CG1-CZ 4.09Å; V292-F333 HydrophobicContact CG2-CE1 4.36Å; V292-F333 HydrophobicContact CG2-CE2 4.14Å; V292-F333 HydrophobicContact CG2-CZ 3.93Å; L330-F333 HydrophobicContact CD2-CD2 4.27Å; L330-F333 HydrophobicContact CD2-CE2 4.05Å; L330-F333 WeakPolarHBondContact O-CD2 3.48Å; L330-F333 PolarHBondContact O-N 3.16Å; E331-F333 PolarHBondContact O-N 3.01Å; F333-R335 VanDerWaalsContact C-N 3.31Å; F333-V336 HydrophobicContact CB-CG2 4.13Å; F333-R361 PolarHBondContact O-NH1 3.38Å
334	K	94.3	Very high	91.2	Very high	154 Å²	154	26.3 Å²	26.3	67%	0.67	14%	0.135	S	C	*	.	S	Bend	trans	-74.3	-24.9	173	-65	-179.2	-179	176.6	0	112.4	S290 R361	S290-K334 PolarHBondContact O-N 3.14Å; K334-R361 VanDerWaalsContact O-CB 3.31Å; K334-R361 WeakPolarHBondContact O-CB 3.21Å
335	R	95.5	Very high	91.1	Very high	114 Å²	114	31.3 Å²	31.3	43%	0.43	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127	178	-177.7	164.6	72.4	169.1	3	110.6	S290 E291 V292 F333	S290-R335 PolarHBondContact O-N 2.96Å; E291-R335 VanDerWaalsContact CA-O 3.3Å; E291-R335 WeakPolarHBondContact CA-O 3.25Å; E291-R335 HydrophobicContact CB-CB 4.17Å; E291-R335 IonicContact OE1-NH2 2.59Å; E291-R335 IonicContact OE2-CZ 3.12Å; E291-R335 IonicContact OE2-NE 3.91Å; E291-R335 PolarHBondContact OE2-NE 3.42Å; E291-R335 IonicContact OE2-NH2 3.15Å; E291-R335 PolarHBondContact OE2-NH2 3.17Å; V292-R335 PolarHBondContact N-O 3.32Å; V292-R335 VanDerWaalsContact N-O 3.16Å; F333-R335 VanDerWaalsContact C-N 3.31Å
336	V	97.2	Very high	91.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.9	175.8	-176.5	0	0	0	0	108.7	V292 V294 F333 L338 L357 R361 C362 T363	V292-V336 HydrophobicContact CG1-CB 4.46Å; V292-V336 HydrophobicContact CG1-CG1 4.15Å; V292-V336 HydrophobicContact CG1-CG2 4.12Å; V294-V336 HydrophobicContact CG2-CG1 3.76Å; F333-V336 HydrophobicContact CB-CG2 4.13Å; V336-L338 HydrophobicContact CG1-CD2 4.02Å; V336-L357 HydrophobicContact CG1-CD1 4.25Å; V336-R361 PolarHBondContact N-O 3.29Å; V336-C362 CarbonylContact O-C 3.59Å; V336-C362 WeakPolarHBondContact O-CA 3.28Å; V336-T363 PolarHBondContact O-N 2.89Å
337	T	97.4	Very high	91.3	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.6	174.2	-52.1	0	0	0	0	109.4	V292 V293 V294 T363 V365 V388	V292-T337 PolarHBondContact O-N 2.84Å; V293-T337 CarbonylContact C-O 3.53Å; V293-T337 WeakPolarHBondContact CA-O 3.36Å; V294-T337 PolarHBondContact N-O 3.5Å; T337-T363 CarbonylContact C-O 3.59Å; T337-T363 WeakPolarHBondContact CA-O 3.46Å; T337-T363 PolarHBondContact OG1-OG1 3.32Å; T337-V365 HydrophobicContact CG2-CG2 3.92Å; T337-V388 HydrophobicContact CG2-CG1 4.3Å
338	L	97.1	Very high	91.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.7	174.9	-58.4	-177.2	0	0	0	109.1	V294 V336 L340 S350 F353 L357 T363 L364 V365	V294-L338 HydrophobicContact CB-CD2 3.74Å; V294-L338 HydrophobicContact CG1-CD2 4.22Å; V294-L338 HydrophobicContact CG2-CD2 4.17Å; V336-L338 HydrophobicContact CG1-CD2 4.02Å; L338-L340 HydrophobicContact CB-CG 4.48Å; L338-S350 WeakPolarHBondContact CD1-O 3.22Å; L338-F353 HydrophobicContact CD1-CB 4.14Å; L338-L357 HydrophobicContact CD2-CD1 4.04Å; L338-T363 PolarHBondContact N-O 2.83Å; L338-L364 HydrophobicContact CB-CD2 3.87Å; L338-L364 HydrophobicContact CD1-CD2 3.67Å; L338-L364 HydrophobicContact CG-CD2 4Å; L338-V365 PolarHBondContact O-N 3.39Å
339	W	96.1	Very high	91.2	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	67.6	174.8	-166.9	-1.3	0	0	0	108.7	V293 V294 V304 V365 P372 P374 A377 L384 I387 V388	V293-W339 HydrophobicContact CG1-CB 4.18Å; V294-W339 PolarHBondContact O-N 3.13Å; V304-W339 HydrophobicContact CG2-CE3 4.09Å; V304-W339 HydrophobicContact CG2-CZ3 4.3Å; W339-V365 HydrophobicContact CB-CB 4.07Å; W339-V365 HydrophobicContact CB-CG2 3.84Å; W339-V365 HydrophobicContact CD2-CB 4.3Å; W339-V365 HydrophobicContact CD2-CG1 4.16Å; W339-V365 HydrophobicContact CD2-CG2 4.04Å; W339-V365 HydrophobicContact CE3-CG2 4.44Å; W339-V365 HydrophobicContact CG-CB 3.79Å; W339-V365 HydrophobicContact CG-CG1 4.03Å; W339-V365 HydrophobicContact CG-CG2 3.79Å; W339-P372 WeakPolarHBondContact CZ2-O 3.44Å; W339-P372 PolarHBondContact NE1-O 3.46Å; W339-P372 VanDerWaalsContact NE1-O 3.1Å; W339-P374 HydrophobicContact CD2-CB 4.48Å; W339-P374 HydrophobicContact CD2-CG 3.56Å; W339-P374 HydrophobicContact CE3-CG 3.99Å; W339-P374 HydrophobicContact CG-CG 3.8Å; W339-P374 HydrophobicContact CZ2-CB 4.4Å; W339-P374 HydrophobicContact CZ2-CG 4.1Å; W339-P374 HydrophobicContact CZ3-CG 4.44Å; W339-A377 HydrophobicContact CH2-CB 4.34Å; W339-A377 HydrophobicContact CZ2-CB 4.25Å; W339-L384 HydrophobicContact CH2-CB 4.19Å; W339-L384 HydrophobicContact CH2-CD2 4.43Å; W339-L384 HydrophobicContact CH2-CG 3.87Å; W339-L384 HydrophobicContact CZ3-CB 4.2Å; W339-L384 HydrophobicContact CZ3-CD2 4.49Å; W339-L384 HydrophobicContact CZ3-CG 4.2Å; W339-I387 HydrophobicContact CH2-CB 3.83Å; W339-I387 HydrophobicContact CH2-CD1 3.86Å; W339-I387 HydrophobicContact CH2-CG1 4.46Å; W339-I387 HydrophobicContact CH2-CG2 3.61Å; W339-I387 HydrophobicContact CZ2-CB 4.27Å; W339-I387 HydrophobicContact CZ2-CD1 4.02Å; W339-I387 HydrophobicContact CZ2-CG2 3.59Å; W339-I387 HydrophobicContact CZ3-CB 4.35Å; W339-I387 HydrophobicContact CZ3-CG2 4.14Å; W339-V388 HydrophobicContact CE3-CG2 3.85Å; W339-V388 HydrophobicContact CZ3-CG2 3.77Å
340	L	93.9	Very high	91.4	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	16%	0.161	C	C	.	.			trans	-77.6	-20.8	-167	-58.6	-177.7	0	0	0	114.4	V294 G296 L315 V319 L338 A349 S350 F353	V294-L340 HydrophobicContact CG1-CD2 4.21Å; G296-L340 WeakPolarHBondContact CA-O 3.4Å; G296-L340 PolarHBondContact N-O 3.08Å; L315-L340 HydrophobicContact CD1-CD2 3.95Å; V319-L340 HydrophobicContact CG1-CB 3.95Å; V319-L340 HydrophobicContact CG1-CD1 4.45Å; L338-L340 HydrophobicContact CB-CG 4.48Å; L340-A349 HydrophobicContact CD1-CB 4.01Å; L340-S350 WeakPolarHBondContact CD1-OG 3.15Å; L340-S350 WeakPolarHBondContact CG-OG 3.37Å; L340-F353 HydrophobicContact CD1-CD2 3.63Å; L340-F353 HydrophobicContact CD1-CE2 3.85Å
341	G	89	Confident	91.3	Very high	9 Å²	9	37.2 Å²	37.2	9%	0.093	18%	0.177	C	C	.	.			trans	167.9	-169.5	-178.9	0	0	0	0	0	113.1	S346	G341-S346 WeakPolarHBondContact CA-OG 3.37Å
342	G	85.6	Confident	91.2	Very high	41 Å²	41	38.1 Å²	38.1	42%	0.423	18%	0.182	S	C	.	.	S	Bend	trans	-108.6	10.2	-175.9	0	0	0	0	0	114.9	P367	G342-P367 WeakPolarHBondContact O-CB 3.35Å
343	D	84.4	Confident	91.5	Very high	49 Å²	49	34.8 Å²	34.8	26%	0.262	17%	0.167	S	C	.	.	S	Bend	trans	-118.2	166.1	-175.5	73	-4.8	0	0	0	112.7	R345 S346 W347 P367	D343-R345 PolarHBondContact O-N 2.96Å; D343-S346 WeakPolarHBondContact O-CB 3.44Å; D343-S346 PolarHBondContact O-N 3.02Å; D343-S346 WeakPolarHBondContact OD1-CA 3.37Å; D343-S346 WeakPolarHBondContact OD1-CB 3.26Å; D343-S346 PolarHBondContact OD1-N 3.16Å; D343-S346 PolarHBondContact OD1-OG 3.42Å; D343-W347 PolarHBondContact O-N 3.04Å; D343-W347 VanDerWaalsContact O-N 3.11Å; D343-P367 WeakPolarHBondContact O-CG 3.11Å
344	I	85.6	Confident	91.5	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.087	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-29.1	-178.4	-125.8	143	0	0	0	111.4	W347 E348 E412 N415 Q418 V419	I344-W347 WeakPolarHBondContact O-CB 3.38Å; I344-W347 PolarHBondContact O-N 3.37Å; I344-E348 WeakPolarHBondContact O-CG 3.24Å; I344-E348 PolarHBondContact O-N 3.48Å; I344-E412 HydrophobicContact CD1-CG 4.32Å; I344-N415 HydrophobicContact CD1-CB 3.81Å; I344-Q418 HydrophobicContact CB-CB 4.26Å; I344-Q418 HydrophobicContact CG2-CB 3.66Å; I344-V419 HydrophobicContact CD1-CG2 3.97Å
345	R	86	Confident	91.3	Very high	114 Å²	114	33.4 Å²	33.4	43%	0.43	16%	0.158	S	C	.	.	H	α-helix	trans	-63.4	-44.3	174.6	-63.4	-178.4	-176.9	-175.1	1.6	111.1	D343 W347 E348 A349	D343-R345 PolarHBondContact O-N 2.96Å; R345-W347 VanDerWaalsContact C-N 3.29Å; R345-W347 PolarHBondContact O-N 2.87Å; R345-E348 PolarHBondContact O-N 3.22Å; R345-A349 WeakPolarHBondContact O-CB 3.41Å; R345-A349 PolarHBondContact O-N 3.24Å
346	S	89.6	Confident	91.1	Very high	8 Å²	8	29 Å²	29	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-37.4	173.4	-60.4	0	0	0	0	111.8	G341 D343 S350	G341-S346 WeakPolarHBondContact CA-OG 3.37Å; D343-S346 WeakPolarHBondContact O-CB 3.44Å; D343-S346 PolarHBondContact O-N 3.02Å; D343-S346 WeakPolarHBondContact OD1-CA 3.37Å; D343-S346 WeakPolarHBondContact OD1-CB 3.26Å; D343-S346 PolarHBondContact OD1-N 3.16Å; D343-S346 PolarHBondContact OD1-OG 3.42Å; S346-S350 VanDerWaalsContact O-CB 3.32Å; S346-S350 WeakPolarHBondContact O-CB 3.3Å; S346-S350 PolarHBondContact O-N 2.91Å; S346-S350 PolarHBondContact O-OG 2.86Å
347	W	88.9	Confident	90.9	Very high	19 Å²	19	29 Å²	29	7%	0.072	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-47.3	175.7	-177.8	-133.2	0	0	0	112.1	D343 I344 R345 S350 K351 L364 R366 P367 I392 D408	D343-W347 PolarHBondContact O-N 3.04Å; D343-W347 VanDerWaalsContact O-N 3.11Å; I344-W347 WeakPolarHBondContact O-CB 3.38Å; I344-W347 PolarHBondContact O-N 3.37Å; R345-W347 VanDerWaalsContact C-N 3.29Å; R345-W347 PolarHBondContact O-N 2.87Å; W347-S350 WeakPolarHBondContact O-CB 3.13Å; W347-S350 PolarHBondContact O-N 3.07Å; W347-K351 VanDerWaalsContact NE1-CE 3.28Å; W347-K351 VanDerWaalsContact NE1-NZ 3.11Å; W347-K351 PolarHBondContact O-N 3.16Å; W347-K351 VanDerWaalsContact O-N 3.14Å; W347-L364 HydrophobicContact CE3-CB 4.49Å; W347-L364 HydrophobicContact CH2-CB 3.94Å; W347-L364 HydrophobicContact CH2-CD1 3.93Å; W347-L364 HydrophobicContact CZ3-CB 3.46Å; W347-L364 VanDerWaalsContact CZ3-CB 3.46Å; W347-L364 HydrophobicContact CZ3-CD1 3.98Å; W347-L364 HydrophobicContact CZ3-CG 4.38Å; W347-R366 HydrophobicContact CE3-CB 4.47Å; W347-R366 HydrophobicContact CH2-CB 4.39Å; W347-R366 HydrophobicContact CZ3-CB 4.16Å; W347-P367 HydrophobicContact CB-CG 3.99Å; W347-I392 HydrophobicContact CH2-CD1 3.43Å; W347-I392 VanDerWaalsContact CH2-CD1 3.43Å; W347-I392 HydrophobicContact CH2-CG1 3.99Å; W347-I392 HydrophobicContact CZ2-CD1 3.99Å; W347-I392 HydrophobicContact CZ3-CD1 4.4Å; W347-D408 PolarHBondContact NE1-OD1 3.42Å; W347-D408 VanDerWaalsContact NE1-OD1 3.1Å
348	E	88.6	Confident	90.5	Very high	82 Å²	82	29.9 Å²	29.9	38%	0.383	15%	0.152	S	C	.	.	H	α-helix	trans	-63.5	-45.4	175.6	-71.2	-178.5	172.7	0	0	112.3	I344 R345 S350 K351 L352	I344-E348 WeakPolarHBondContact O-CG 3.24Å; I344-E348 PolarHBondContact O-N 3.48Å; R345-E348 PolarHBondContact O-N 3.22Å; E348-S350 VanDerWaalsContact C-N 3.29Å; E348-S350 PolarHBondContact O-N 3.07Å; E348-K351 WeakPolarHBondContact O-CB 3.11Å; E348-K351 PolarHBondContact O-N 2.72Å; E348-K351 VanDerWaalsContact O-N 3.15Å; E348-L352 PolarHBondContact O-N 3.1Å
349	A	90.6	Very high	90.2	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-41	176.3	0	0	0	0	0	111.3	V319 L340 R345 K351 L352 F353	V319-A349 HydrophobicContact CB-CB 3.9Å; V319-A349 HydrophobicContact CG1-CB 4.28Å; L340-A349 HydrophobicContact CD1-CB 4.01Å; R345-A349 WeakPolarHBondContact O-CB 3.41Å; R345-A349 PolarHBondContact O-N 3.24Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 PolarHBondContact O-N 2.92Å; A349-L352 PolarHBondContact O-N 3.39Å; A349-L352 VanDerWaalsContact O-N 3.15Å; A349-F353 HydrophobicContact CB-CE2 4.2Å; A349-F353 HydrophobicContact CB-CZ 4.26Å; A349-F353 WeakPolarHBondContact O-CB 3.19Å; A349-F353 VanDerWaalsContact O-CG 3.23Å; A349-F353 WeakPolarHBondContact O-CG 3.46Å; A349-F353 PolarHBondContact O-N 2.9Å
350	S	93.4	Very high	90	Very high	2 Å²	2	45 Å²	45	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-42.4	176	-60.7	0	0	0	0	111.6	L338 L340 S346 W347 E348 S354	L338-S350 WeakPolarHBondContact CD1-O 3.22Å; L340-S350 WeakPolarHBondContact CD1-OG 3.15Å; L340-S350 WeakPolarHBondContact CG-OG 3.37Å; S346-S350 VanDerWaalsContact O-CB 3.32Å; S346-S350 WeakPolarHBondContact O-CB 3.3Å; S346-S350 PolarHBondContact O-N 2.91Å; S346-S350 PolarHBondContact O-OG 2.86Å; W347-S350 WeakPolarHBondContact O-CB 3.13Å; W347-S350 PolarHBondContact O-N 3.07Å; E348-S350 VanDerWaalsContact C-N 3.29Å; E348-S350 PolarHBondContact O-N 3.07Å; S350-S354 VanDerWaalsContact O-CB 3.3Å; S350-S354 WeakPolarHBondContact O-CB 3.34Å; S350-S354 PolarHBondContact O-N 2.99Å; S350-S354 VanDerWaalsContact O-N 3.08Å; S350-S354 PolarHBondContact O-OG 3.48Å
351	K	90.6	Very high	90	Very high	81 Å²	81	45.4 Å²	45.4	35%	0.352	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-43.7	174.2	-68.3	174.6	-178.1	173.3	0	111.6	W347 E348 A349 S354 L364	W347-K351 VanDerWaalsContact NE1-CE 3.28Å; W347-K351 VanDerWaalsContact NE1-NZ 3.11Å; W347-K351 PolarHBondContact O-N 3.16Å; W347-K351 VanDerWaalsContact O-N 3.14Å; E348-K351 WeakPolarHBondContact O-CB 3.11Å; E348-K351 PolarHBondContact O-N 2.72Å; E348-K351 VanDerWaalsContact O-N 3.15Å; A349-K351 VanDerWaalsContact C-N 3.33Å; A349-K351 PolarHBondContact O-N 2.92Å; K351-S354 PolarHBondContact O-OG 3.02Å; K351-L364 HydrophobicContact CG-CD1 4.06Å
352	L	89.7	Confident	90.3	Very high	24 Å²	24	45 Å²	45	13%	0.126	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-51.7	179.8	-177.7	62.9	0	0	0	111.8	E348 A349 S354 R355	E348-L352 PolarHBondContact O-N 3.1Å; A349-L352 PolarHBondContact O-N 3.39Å; A349-L352 VanDerWaalsContact O-N 3.15Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 3.46Å; L352-R355 VanDerWaalsContact O-CB 3.3Å; L352-R355 WeakPolarHBondContact O-CB 3.38Å; L352-R355 PolarHBondContact O-N 3.48Å
353	F	93.9	Very high	90.8	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-32.5	-177.6	-64.5	-8.5	0	0	0	112.2	L315 L322 L338 L340 A349 R355 K356 L357	L315-F353 HydrophobicContact CD1-CD2 3.77Å; L315-F353 HydrophobicContact CD1-CE2 3.53Å; L322-F353 HydrophobicContact CB-CB 4.46Å; L322-F353 HydrophobicContact CB-CD1 3.62Å; L322-F353 HydrophobicContact CB-CD2 3.98Å; L322-F353 HydrophobicContact CB-CE1 3.76Å; L322-F353 HydrophobicContact CB-CE2 4.1Å; L322-F353 HydrophobicContact CB-CG 3.75Å; L322-F353 HydrophobicContact CB-CZ 4.01Å; L322-F353 HydrophobicContact CD2-CB 3.73Å; L322-F353 HydrophobicContact CD2-CD1 4.41Å; L322-F353 HydrophobicContact CD2-CD2 4.43Å; L322-F353 HydrophobicContact CD2-CG 3.96Å; L338-F353 HydrophobicContact CD1-CB 4.14Å; L340-F353 HydrophobicContact CD1-CD2 3.63Å; L340-F353 HydrophobicContact CD1-CE2 3.85Å; A349-F353 HydrophobicContact CB-CE2 4.2Å; A349-F353 HydrophobicContact CB-CZ 4.26Å; A349-F353 WeakPolarHBondContact O-CB 3.19Å; A349-F353 VanDerWaalsContact O-CG 3.23Å; A349-F353 WeakPolarHBondContact O-CG 3.46Å; A349-F353 PolarHBondContact O-N 2.9Å; F353-R355 PolarHBondContact O-N 2.8Å; F353-K356 PolarHBondContact O-N 3.13Å; F353-K356 VanDerWaalsContact O-N 3.13Å; F353-L357 WeakPolarHBondContact O-CG 3.2Å; F353-L357 PolarHBondContact O-N 2.88Å
354	S	93.5	Very high	91.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-24.6	174.4	76.5	0	0	0	0	113.8	S350 K351 L352 G358 L359	S350-S354 VanDerWaalsContact O-CB 3.3Å; S350-S354 WeakPolarHBondContact O-CB 3.34Å; S350-S354 PolarHBondContact O-N 2.99Å; S350-S354 VanDerWaalsContact O-N 3.08Å; S350-S354 PolarHBondContact O-OG 3.48Å; K351-S354 PolarHBondContact O-OG 3.02Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 3.46Å; S354-G358 CarbonylContact O-C 3.48Å; S354-G358 VanDerWaalsContact O-C 3.24Å; S354-G358 PolarHBondContact O-N 2.95Å; S354-G358 VanDerWaalsContact O-N 3.13Å; S354-L359 PolarHBondContact O-N 3.47Å; S354-L359 WeakPolarHBondContact OG-CD2 3.48Å
355	R	90.6	Very high	91.7	Very high	123 Å²	123	41.5 Å²	41.5	46%	0.464	18%	0.183	S	C	.	.	H	α-helix	trans	-70.5	-42.7	175	-60.9	173.1	-177.3	179	-1.7	111.1	L352 F353 L359 N580	L352-R355 VanDerWaalsContact O-CB 3.3Å; L352-R355 WeakPolarHBondContact O-CB 3.38Å; L352-R355 PolarHBondContact O-N 3.48Å; F353-R355 PolarHBondContact O-N 2.8Å; R355-L359 HydrophobicContact CG-CD2 4.07Å; R355-N580 PolarHBondContact NH1-O 2.67Å
356	K	91.2	Very high	91.7	Very high	20 Å²	20	38.2 Å²	38.2	9%	0.087	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-40.8	176.4	-60	-171.9	-175.8	-178.6	0	112.1	L322 L327 F353 G358 Y538 D541	L322-K356 PolarHBondContact O-NZ 3.5Å; L327-K356 HydrophobicContact CD1-CB 4.48Å; L327-K356 HydrophobicContact CD2-CB 4.24Å; F353-K356 PolarHBondContact O-N 3.13Å; F353-K356 VanDerWaalsContact O-N 3.13Å; K356-G358 VanDerWaalsContact C-N 3.31Å; K356-G358 PolarHBondContact O-N 2.66Å; K356-Y538 HydrophobicContact CD-CE2 4.41Å; K356-Y538 WeakPolarHBondContact CE-O 3.48Å; K356-Y538 HydrophobicContact CG-CD2 4.32Å; K356-Y538 HydrophobicContact CG-CE2 4.07Å; K356-Y538 PolarHBondContact NZ-O 2.86Å; K356-D541 WeakPolarHBondContact CE-OD1 3.33Å; K356-D541 IonicContact NZ-OD1 2.6Å; K356-D541 PolarHBondContact NZ-OD1 3.39Å; K356-D541 IonicContact NZ-OD2 3.57Å; K356-D541 PolarHBondContact NZ-OD2 2.89Å
357	L	92.8	Very high	91.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-79.5	-12.2	-177.2	-66.8	167.9	0	0	0	113.7	L322 L327 L330 V336 L338 F353 R361	L322-L357 HydrophobicContact CD2-CD1 3.9Å; L322-L357 HydrophobicContact CD2-CD2 4.24Å; L322-L357 HydrophobicContact CD2-CG 3.89Å; L327-L357 HydrophobicContact CD2-CD2 3.56Å; L327-L357 HydrophobicContact CD2-CG 4.26Å; L330-L357 HydrophobicContact CB-CD2 3.96Å; L330-L357 HydrophobicContact CD1-CD2 3.49Å; L330-L357 VanDerWaalsContact CD1-CD2 3.49Å; L330-L357 HydrophobicContact CG-CD2 4.38Å; V336-L357 HydrophobicContact CG1-CD1 4.25Å; L338-L357 HydrophobicContact CD2-CD1 4.04Å; F353-L357 WeakPolarHBondContact O-CG 3.2Å; F353-L357 PolarHBondContact O-N 2.88Å; L357-R361 PolarHBondContact O-NE 3.2Å; L357-R361 PolarHBondContact O-NH2 2.99Å; L357-R361 VanDerWaalsContact O-NH2 3.17Å
358	G	90.4	Very high	91	Very high	23 Å²	23	40.2 Å²	40.2	24%	0.237	19%	0.193	C	C	.	.			trans	95.9	107.7	-174.4	0	0	0	0	0	112.5	S354 K356 R360 R361 C362	S354-G358 CarbonylContact O-C 3.48Å; S354-G358 VanDerWaalsContact O-C 3.24Å; S354-G358 PolarHBondContact O-N 2.95Å; S354-G358 VanDerWaalsContact O-N 3.13Å; K356-G358 VanDerWaalsContact C-N 3.31Å; K356-G358 PolarHBondContact O-N 2.66Å; G358-R360 PolarHBondContact O-N 2.63Å; G358-R360 VanDerWaalsContact O-N 3.07Å; G358-R361 WeakPolarHBondContact O-CG 3.46Å; G358-R361 PolarHBondContact O-N 3.1Å; G358-C362 PolarHBondContact O-SG 3.24Å
359	L	90.3	Very high	90.2	Very high	74 Å²	74	43.1 Å²	43.1	39%	0.387	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.6	-172.3	-72.8	168.2	0	0	0	114.7	S354 R355 A394 A395	S354-L359 PolarHBondContact O-N 3.47Å; S354-L359 WeakPolarHBondContact OG-CD2 3.48Å; R355-L359 HydrophobicContact CG-CD2 4.07Å; L359-A394 HydrophobicContact CD2-CB 4.3Å; L359-A395 HydrophobicContact CB-CB 4.2Å
360	R	91.6	Very high	89.6	Confident	246 Å²	246	51.3 Å²	51.3	93%	0.928	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.7	-172.6	-67	-174.8	179.8	-176.3	1.2	113.8	G358	G358-R360 PolarHBondContact O-N 2.63Å; G358-R360 VanDerWaalsContact O-N 3.07Å
361	R	93.8	Very high	89.1	Confident	13 Å²	13	53.1 Å²	53.1	5%	0.049	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.7	178.9	66.7	164.6	-172.7	145.8	2.2	113.7	Y102 L330 F333 K334 V336 L357 G358	Y102-R361 HydrophobicContact CD1-CG 4.18Å; Y102-R361 HydrophobicContact CE1-CB 4.28Å; Y102-R361 HydrophobicContact CE1-CG 4.31Å; L330-R361 PolarHBondContact O-NH1 3.48Å; L330-R361 PolarHBondContact O-NH2 3.25Å; F333-R361 PolarHBondContact O-NH1 3.38Å; K334-R361 VanDerWaalsContact O-CB 3.31Å; K334-R361 WeakPolarHBondContact O-CB 3.21Å; V336-R361 PolarHBondContact N-O 3.29Å; L357-R361 PolarHBondContact O-NE 3.2Å; L357-R361 PolarHBondContact O-NH2 2.99Å; L357-R361 VanDerWaalsContact O-NH2 3.17Å; G358-R361 WeakPolarHBondContact O-CG 3.46Å; G358-R361 PolarHBondContact O-N 3.1Å
362	C	96.5	Very high	89	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.1	-177.5	-65	0	0	0	0	111.1	V336 G358 A394	V336-C362 CarbonylContact O-C 3.59Å; V336-C362 WeakPolarHBondContact O-CA 3.28Å; G358-C362 PolarHBondContact O-SG 3.24Å; C362-A394 HydrophobicContact CB-CB 3.8Å; C362-A394 WeakPolarHBondContact O-CB 3.46Å; C362-A394 PolarHBondContact O-N 3.3Å
363	T	96	Very high	89.1	Confident	23 Å²	23	49.5 Å²	49.5	14%	0.141	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147	165.9	62.1	0	0	0	0	108.8	V336 T337 L338 S391 I392	V336-T363 PolarHBondContact O-N 2.89Å; T337-T363 CarbonylContact C-O 3.59Å; T337-T363 WeakPolarHBondContact CA-O 3.46Å; T337-T363 PolarHBondContact OG1-OG1 3.32Å; L338-T363 PolarHBondContact N-O 2.83Å; T363-S391 VanDerWaalsContact CB-OG 3.22Å; T363-S391 WeakPolarHBondContact CB-OG 3.41Å; T363-S391 PolarHBondContact OG1-OG 3.08Å; T363-S391 VanDerWaalsContact OG1-OG 3.07Å; T363-I392 CarbonylContact C-O 3.57Å; T363-I392 VanDerWaalsContact CA-O 3.27Å; T363-I392 WeakPolarHBondContact CA-O 3.09Å
364	L	94.6	Very high	89.1	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.9	-172	-43.6	-179.6	0	0	0	108.7	L338 W347 K351 S391 I392 A394	L338-L364 HydrophobicContact CB-CD2 3.87Å; L338-L364 HydrophobicContact CD1-CD2 3.67Å; L338-L364 HydrophobicContact CG-CD2 4Å; W347-L364 HydrophobicContact CE3-CB 4.49Å; W347-L364 HydrophobicContact CH2-CB 3.94Å; W347-L364 HydrophobicContact CH2-CD1 3.93Å; W347-L364 HydrophobicContact CZ3-CB 3.46Å; W347-L364 VanDerWaalsContact CZ3-CB 3.46Å; W347-L364 HydrophobicContact CZ3-CD1 3.98Å; W347-L364 HydrophobicContact CZ3-CG 4.38Å; K351-L364 HydrophobicContact CG-CD1 4.06Å; L364-S391 WeakPolarHBondContact O-CA 3.36Å; L364-S391 WeakPolarHBondContact O-CB 3.49Å; L364-I392 PolarHBondContact N-O 3.01Å; L364-I392 WeakPolarHBondContact O-CG1 3.33Å; L364-I392 PolarHBondContact O-N 2.95Å; L364-A394 HydrophobicContact CD1-CB 3.94Å; L364-A394 HydrophobicContact CD2-CB 3.96Å; L364-A394 HydrophobicContact CG-CB 3.85Å
365	V	92.9	Very high	89.2	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.024	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-84.8	122.6	169.2	-179.2	0	0	0	0	107.7	T337 L338 W339 Q371 I387	T337-V365 HydrophobicContact CG2-CG2 3.92Å; L338-V365 PolarHBondContact O-N 3.39Å; W339-V365 HydrophobicContact CB-CB 4.07Å; W339-V365 HydrophobicContact CB-CG2 3.84Å; W339-V365 HydrophobicContact CD2-CB 4.3Å; W339-V365 HydrophobicContact CD2-CG1 4.16Å; W339-V365 HydrophobicContact CD2-CG2 4.04Å; W339-V365 HydrophobicContact CE3-CG2 4.44Å; W339-V365 HydrophobicContact CG-CB 3.79Å; W339-V365 HydrophobicContact CG-CG1 4.03Å; W339-V365 HydrophobicContact CG-CG2 3.79Å; V365-Q371 HydrophobicContact CG1-CB 4.25Å; V365-I387 HydrophobicContact CG1-CG2 3.64Å
366	R	86.8	Confident	89.3	Confident	46 Å²	46	49.2 Å²	49.2	17%	0.174	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-81.7	129.5	179.6	-176.6	-179.4	-85.4	141.7	-7.1	108.8	W347 Q371 D408	W347-R366 HydrophobicContact CE3-CB 4.47Å; W347-R366 HydrophobicContact CH2-CB 4.39Å; W347-R366 HydrophobicContact CZ3-CB 4.16Å; R366-Q371 WeakPolarHBondContact O-CB 3.25Å; R366-Q371 PolarHBondContact O-OE1 3.49Å; R366-D408 IonicContact CZ-OD1 2.97Å; R366-D408 IonicContact CZ-OD2 3.92Å; R366-D408 IonicContact NE-OD1 2.86Å; R366-D408 PolarHBondContact NE-OD1 3.19Å; R366-D408 IonicContact NH2-OD1 3.19Å; R366-D408 PolarHBondContact NH2-OD1 3.37Å; R366-D408 IonicContact NH2-OD2 3.9Å; R366-D408 PolarHBondContact NH2-OD2 3.01Å
367	P	85.5	Confident	89.4	Confident	29 Å²	29	48.3 Å²	48.3	19%	0.188	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-61.1	138.4	172.9	-24.3	34.7	0	0	0	112.3	G342 D343 W347	G342-P367 WeakPolarHBondContact O-CB 3.35Å; D343-P367 WeakPolarHBondContact O-CG 3.11Å; W347-P367 HydrophobicContact CB-CG 3.99Å
368	G	77.1	Confident	89.4	Confident	39 Å²	39	49.4 Å²	49.4	40%	0.402	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	178.1	174.2	173.2	0	0	0	0	0	112.7	F370 Q371	G368-F370 PolarHBondContact O-N 3.15Å; G368-F370 VanDerWaalsContact O-N 3.15Å; G368-Q371 PolarHBondContact N-O 3.09Å; G368-Q371 CarbonylContact O-C 3.04Å; G368-Q371 WeakPolarHBondContact O-CA 3.43Å; G368-Q371 PolarHBondContact O-N 2.88Å
369	E	73.4	Confident	89.6	Confident	143 Å²	143	50.7 Å²	50.7	67%	0.668	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.6	-177.6	-66.9	-171.7	161.2	0	0	112.7	K382	E369-K382 PolarHBondContact O-NZ 2.64Å
370	F	77.4	Confident	89.7	Confident	176 Å²	176	52.6 Å²	52.6	77%	0.772	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-12.5	178.8	-58.1	-73.1	0	0	0	113.7	G368	G368-F370 PolarHBondContact O-N 3.15Å; G368-F370 VanDerWaalsContact O-N 3.15Å
371	Q	83.5	Confident	89.6	Confident	41 Å²	41	44 Å²	44	19%	0.192	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-134.8	67.6	-177.6	-61.3	-174.3	-9.9	0	0	110	V365 R366 G368 I387	V365-Q371 HydrophobicContact CG1-CB 4.25Å; R366-Q371 WeakPolarHBondContact O-CB 3.25Å; R366-Q371 PolarHBondContact O-OE1 3.49Å; G368-Q371 PolarHBondContact N-O 3.09Å; G368-Q371 CarbonylContact O-C 3.04Å; G368-Q371 WeakPolarHBondContact O-CA 3.43Å; G368-Q371 PolarHBondContact O-N 2.88Å; Q371-I387 HydrophobicContact CB-CG2 4.15Å; Q371-I387 HydrophobicContact CG-CG1 4.48Å; Q371-I387 HydrophobicContact CG-CG2 3.99Å
372	P	88.3	Confident	89.6	Confident	11 Å²	11	46.5 Å²	46.5	7%	0.071	25%	0.254	C	S	.	.			trans	-71.1	-178.3	178.2	32.2	-35.2	0	0	0	111	W339 E376 A377 K382	W339-P372 WeakPolarHBondContact CZ2-O 3.44Å; W339-P372 PolarHBondContact NE1-O 3.46Å; W339-P372 VanDerWaalsContact NE1-O 3.1Å; P372-E376 HydrophobicContact CB-CB 4.09Å; P372-A377 HydrophobicContact CG-CB 3.87Å; P372-K382 HydrophobicContact CG-CD 3.94Å
373	C	91.4	Very high	89.4	Confident	17 Å²	17	50.1 Å²	50.1	12%	0.115	27%	0.274	C	S	.	.			trans	-61.6	155.4	173.1	72.4	0	0	0	0	111	L375 E376 A377	C373-L375 PolarHBondContact O-N 3.43Å; C373-E376 PolarHBondContact O-N 3.17Å; C373-E376 VanDerWaalsContact SG-CB 3.53Å; C373-E376 WeakPolarHBondContact SG-CG 3.21Å; C373-A377 WeakPolarHBondContact O-CB 3.37Å; C373-A377 PolarHBondContact O-N 2.75Å
374	P	94.3	Very high	89.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-44.3	-173.5	-28.4	34.8	0	0	0	115	T295 D300 A303 V304 W339 A377 L378	T295-P374 HydrophobicContact CG2-CG 4.42Å; D300-P374 HydrophobicContact CB-CB 3.83Å; D300-P374 HydrophobicContact CB-CG 3.78Å; D300-P374 WeakPolarHBondContact OD1-CD 3.47Å; A303-P374 HydrophobicContact CB-CB 4.28Å; V304-P374 HydrophobicContact CG2-CB 3.61Å; V304-P374 HydrophobicContact CG2-CG 3.88Å; W339-P374 HydrophobicContact CD2-CB 4.48Å; W339-P374 HydrophobicContact CD2-CG 3.56Å; W339-P374 HydrophobicContact CE3-CG 3.99Å; W339-P374 HydrophobicContact CG-CG 3.8Å; W339-P374 HydrophobicContact CZ2-CB 4.4Å; W339-P374 HydrophobicContact CZ2-CG 4.1Å; W339-P374 HydrophobicContact CZ3-CG 4.44Å; P374-A377 WeakPolarHBondContact O-CB 3.22Å; P374-A377 PolarHBondContact O-N 2.84Å; P374-L378 PolarHBondContact O-N 3.32Å
375	L	94.1	Very high	89.4	Confident	24 Å²	24	50.8 Å²	50.8	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-42.7	179.2	-179.7	63.7	0	0	0	112.3	I213 I216 L299 D300 A303 C373 L378 S379	I213-L375 HydrophobicContact CG2-CD1 4.03Å; I213-L375 HydrophobicContact CG2-CD2 4.42Å; I216-L375 HydrophobicContact CD1-CD1 3.94Å; I216-L375 HydrophobicContact CG1-CD1 4.39Å; L299-L375 HydrophobicContact CB-CD2 4.11Å; L299-L375 HydrophobicContact CD1-CD2 4.17Å; D300-L375 VanDerWaalsContact OD1-CB 3.27Å; D300-L375 WeakPolarHBondContact OD1-CB 3.45Å; D300-L375 PolarHBondContact OD1-N 2.78Å; A303-L375 HydrophobicContact CB-CB 4.47Å; A303-L375 HydrophobicContact CB-CD1 4.45Å; C373-L375 PolarHBondContact O-N 3.43Å; L375-L378 PolarHBondContact O-N 3.05Å; L375-S379 WeakPolarHBondContact O-CB 3.27Å; L375-S379 PolarHBondContact O-N 2.79Å; L375-S379 PolarHBondContact O-OG 3.06Å
376	E	93.2	Very high	89.4	Confident	97 Å²	97	59.5 Å²	59.5	45%	0.453	31%	0.312	S	S	.	.	H	α-helix	trans	-67.2	-40.8	176.1	-74.5	173.6	-174.1	0	0	111.5	P372 C373 L378 S379 Q380	P372-E376 HydrophobicContact CB-CB 4.09Å; C373-E376 PolarHBondContact O-N 3.17Å; C373-E376 VanDerWaalsContact SG-CB 3.53Å; C373-E376 WeakPolarHBondContact SG-CG 3.21Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 3.16Å; E376-S379 PolarHBondContact O-N 3.09Å; E376-Q380 WeakPolarHBondContact O-CB 3.13Å; E376-Q380 VanDerWaalsContact O-CG 3.28Å; E376-Q380 WeakPolarHBondContact O-CG 3.21Å; E376-Q380 PolarHBondContact O-N 2.79Å
377	A	93.3	Very high	89.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.1	-45.1	175.8	0	0	0	0	0	111	W339 P372 C373 P374 Q380 G381 K382 L384 I387	W339-A377 HydrophobicContact CH2-CB 4.34Å; W339-A377 HydrophobicContact CZ2-CB 4.25Å; P372-A377 HydrophobicContact CG-CB 3.87Å; C373-A377 WeakPolarHBondContact O-CB 3.37Å; C373-A377 PolarHBondContact O-N 2.75Å; P374-A377 WeakPolarHBondContact O-CB 3.22Å; P374-A377 PolarHBondContact O-N 2.84Å; A377-Q380 PolarHBondContact O-N 2.76Å; A377-G381 PolarHBondContact O-N 3.02Å; A377-K382 HydrophobicContact CB-CB 4.32Å; A377-K382 WeakPolarHBondContact O-CB 3.4Å; A377-K382 PolarHBondContact O-N 3.39Å; A377-L384 HydrophobicContact CB-CD1 3.92Å; A377-L384 HydrophobicContact CB-CG 4.23Å; A377-I387 HydrophobicContact CB-CD1 4.06Å
378	L	94.1	Very high	90.2	Very high	25 Å²	25	57 Å²	57	13%	0.131	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-42.2	177.5	-177.4	66.1	0	0	0	111.4	K215 I216 A303 P374 L375 E376 Q380 G381 L384	K215-L378 HydrophobicContact CB-CD2 4.47Å; K215-L378 HydrophobicContact CB-CG 4.24Å; I216-L378 HydrophobicContact CG1-CD2 4.22Å; A303-L378 HydrophobicContact CB-CB 4.15Å; A303-L378 HydrophobicContact CB-CD2 3.82Å; P374-L378 PolarHBondContact O-N 3.32Å; L375-L378 PolarHBondContact O-N 3.05Å; E376-L378 VanDerWaalsContact C-N 3.29Å; E376-L378 PolarHBondContact O-N 3.16Å; L378-Q380 VanDerWaalsContact C-N 3.29Å; L378-Q380 PolarHBondContact O-N 2.72Å; L378-G381 PolarHBondContact O-N 2.88Å; L378-L384 HydrophobicContact CB-CD1 4.23Å; L378-L384 HydrophobicContact CB-CD2 4.47Å; L378-L384 HydrophobicContact CD1-CD1 4.47Å
379	S	92.7	Very high	90.9	Very high	50 Å²	50	63.3 Å²	63.3	35%	0.35	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-37.3	178.7	-62.2	0	0	0	0	112.6	L375 E376 G381	L375-S379 WeakPolarHBondContact O-CB 3.27Å; L375-S379 PolarHBondContact O-N 2.79Å; L375-S379 PolarHBondContact O-OG 3.06Å; E376-S379 PolarHBondContact O-N 3.09Å; S379-G381 VanDerWaalsContact C-N 3.28Å; S379-G381 PolarHBondContact O-N 3.17Å
380	Q	92.6	Very high	91.8	Very high	113 Å²	113	59 Å²	59	53%	0.528	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.9	176.1	-66.7	172.2	12.2	0	0	113.6	E376 A377 L378 K382	E376-Q380 WeakPolarHBondContact O-CB 3.13Å; E376-Q380 VanDerWaalsContact O-CG 3.28Å; E376-Q380 WeakPolarHBondContact O-CG 3.21Å; E376-Q380 PolarHBondContact O-N 2.79Å; A377-Q380 PolarHBondContact O-N 2.76Å; L378-Q380 VanDerWaalsContact C-N 3.29Å; L378-Q380 PolarHBondContact O-N 2.72Å; Q380-K382 VanDerWaalsContact C-N 3.28Å; Q380-K382 HydrophobicContact CB-CG 4.29Å; Q380-K382 PolarHBondContact O-N 2.82Å
381	G	91.1	Very high	92.5	Very high	66 Å²	66	51.7 Å²	51.7	68%	0.68	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	22.6	-177.3	0	0	0	0	0	114.2	A377 L378 S379	A377-G381 PolarHBondContact O-N 3.02Å; L378-G381 PolarHBondContact O-N 2.88Å; S379-G381 VanDerWaalsContact C-N 3.28Å; S379-G381 PolarHBondContact O-N 3.17Å
382	K	92.2	Very high	92.8	Very high	65 Å²	65	52.3 Å²	52.3	28%	0.283	28%	0.28	S	S	.	.			trans	-70.1	154.4	174.4	-71.8	178.3	171.1	158.1	0	110.3	E369 P372 A377 Q380 L384 I387	E369-K382 PolarHBondContact O-NZ 2.64Å; P372-K382 HydrophobicContact CG-CD 3.94Å; A377-K382 HydrophobicContact CB-CB 4.32Å; A377-K382 WeakPolarHBondContact O-CB 3.4Å; A377-K382 PolarHBondContact O-N 3.39Å; Q380-K382 VanDerWaalsContact C-N 3.28Å; Q380-K382 HydrophobicContact CB-CG 4.29Å; Q380-K382 PolarHBondContact O-N 2.82Å; K382-L384 WeakPolarHBondContact O-CD1 3.46Å; K382-L384 PolarHBondContact O-N 3.24Å; K382-I387 HydrophobicContact CB-CD1 4.35Å
383	N	93.4	Very high	92.9	Very high	79 Å²	79	56.4 Å²	56.4	42%	0.422	31%	0.307	S	S	.	.			trans	-83.8	98.3	177.1	-170.8	-57.4	0	0	0	110.3	S385 R386 I387	N383-S385 VanDerWaalsContact C-N 3.28Å; N383-S385 PolarHBondContact O-N 3.19Å; N383-S385 WeakPolarHBondContact OD1-CB 3.33Å; N383-S385 PolarHBondContact OD1-N 3.1Å; N383-R386 HydrophobicContact CB-CB 4.2Å; N383-R386 HydrophobicContact CB-CG 4.08Å; N383-R386 WeakPolarHBondContact O-CB 3.32Å; N383-R386 PolarHBondContact O-N 2.95Å; N383-R386 VanDerWaalsContact O-N 3.14Å; N383-R386 PolarHBondContact OD1-N 2.85Å; N383-I387 PolarHBondContact O-N 3.41Å
384	L	94.6	Very high	92.8	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-59.2	-37.3	-178.3	-78.4	65.7	0	0	0	112.1	A303 T308 W339 A377 L378 K382 R386 I387 V388	A303-L384 WeakPolarHBondContact O-CD2 3.49Å; T308-L384 HydrophobicContact CG2-CB 3.61Å; W339-L384 HydrophobicContact CH2-CB 4.19Å; W339-L384 HydrophobicContact CH2-CD2 4.43Å; W339-L384 HydrophobicContact CH2-CG 3.87Å; W339-L384 HydrophobicContact CZ3-CB 4.2Å; W339-L384 HydrophobicContact CZ3-CD2 4.49Å; W339-L384 HydrophobicContact CZ3-CG 4.2Å; A377-L384 HydrophobicContact CB-CD1 3.92Å; A377-L384 HydrophobicContact CB-CG 4.23Å; L378-L384 HydrophobicContact CB-CD1 4.23Å; L378-L384 HydrophobicContact CB-CD2 4.47Å; L378-L384 HydrophobicContact CD1-CD1 4.47Å; K382-L384 WeakPolarHBondContact O-CD1 3.46Å; K382-L384 PolarHBondContact O-N 3.24Å; L384-R386 VanDerWaalsContact C-N 3.28Å; L384-R386 PolarHBondContact O-N 3.24Å; L384-I387 WeakPolarHBondContact O-CB 3.39Å; L384-I387 PolarHBondContact O-N 2.87Å; L384-V388 PolarHBondContact O-N 2.87Å
385	S	94.9	Very high	92.1	Very high	37 Å²	37	58.9 Å²	58.9	26%	0.259	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-33.2	178.6	-54	0	0	0	0	112.7	N383 K389	N383-S385 VanDerWaalsContact C-N 3.28Å; N383-S385 PolarHBondContact O-N 3.19Å; N383-S385 WeakPolarHBondContact OD1-CB 3.33Å; N383-S385 PolarHBondContact OD1-N 3.1Å; S385-K389 WeakPolarHBondContact O-CB 3.25Å; S385-K389 VanDerWaalsContact O-CG 3.24Å; S385-K389 WeakPolarHBondContact O-CG 2.91Å; S385-K389 PolarHBondContact O-N 3.37Å; S385-K389 VanDerWaalsContact O-N 3.13Å
386	R	93.9	Very high	90.9	Very high	188 Å²	188	62.8 Å²	62.8	71%	0.709	35%	0.346	S	S	*	.	H	α-helix	trans	-69.2	-38.2	172.3	-71.8	-177.7	-173.6	178.8	0.4	111.7	N383 L384 K389 A390	N383-R386 HydrophobicContact CB-CB 4.2Å; N383-R386 HydrophobicContact CB-CG 4.08Å; N383-R386 WeakPolarHBondContact O-CB 3.32Å; N383-R386 PolarHBondContact O-N 2.95Å; N383-R386 VanDerWaalsContact O-N 3.14Å; N383-R386 PolarHBondContact OD1-N 2.85Å; L384-R386 VanDerWaalsContact C-N 3.28Å; L384-R386 PolarHBondContact O-N 3.24Å; R386-K389 PolarHBondContact O-N 2.78Å; R386-A390 WeakPolarHBondContact O-CB 3.38Å; R386-A390 PolarHBondContact O-N 3.27Å
387	I	94.4	Very high	89.5	Confident	11 Å²	11	66.2 Å²	66.2	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-48.3	177.5	-63.3	170.2	0	0	0	110.3	W339 V365 Q371 A377 K382 N383 L384 K389 A390 S391	W339-I387 HydrophobicContact CH2-CB 3.83Å; W339-I387 HydrophobicContact CH2-CD1 3.86Å; W339-I387 HydrophobicContact CH2-CG1 4.46Å; W339-I387 HydrophobicContact CH2-CG2 3.61Å; W339-I387 HydrophobicContact CZ2-CB 4.27Å; W339-I387 HydrophobicContact CZ2-CD1 4.02Å; W339-I387 HydrophobicContact CZ2-CG2 3.59Å; W339-I387 HydrophobicContact CZ3-CB 4.35Å; W339-I387 HydrophobicContact CZ3-CG2 4.14Å; V365-I387 HydrophobicContact CG1-CG2 3.64Å; Q371-I387 HydrophobicContact CB-CG2 4.15Å; Q371-I387 HydrophobicContact CG-CG1 4.48Å; Q371-I387 HydrophobicContact CG-CG2 3.99Å; A377-I387 HydrophobicContact CB-CD1 4.06Å; K382-I387 HydrophobicContact CB-CD1 4.35Å; N383-I387 PolarHBondContact O-N 3.41Å; L384-I387 WeakPolarHBondContact O-CB 3.39Å; L384-I387 PolarHBondContact O-N 2.87Å; I387-K389 VanDerWaalsContact C-N 3.29Å; I387-K389 PolarHBondContact O-N 3.1Å; I387-A390 CarbonylContact O-C 3.35Å; I387-A390 PolarHBondContact O-N 2.79Å; I387-S391 PolarHBondContact O-N 3.13Å
388	V	94	Very high	88.4	Confident	10 Å²	10	72.6 Å²	72.6	6%	0.061	40%	0.404	C	S	.	.	H	α-helix	trans	-59.3	-40.3	176.4	172.6	0	0	0	0	111.5	V293 T308 L310 T337 W339 L384 A390 S391	V293-V388 HydrophobicContact CG2-CG1 4.4Å; V293-V388 HydrophobicContact CG2-CG2 4.38Å; T308-V388 HydrophobicContact CG2-CG2 4.31Å; L310-V388 HydrophobicContact CD1-CG1 4.09Å; T337-V388 HydrophobicContact CG2-CG1 4.3Å; W339-V388 HydrophobicContact CE3-CG2 3.85Å; W339-V388 HydrophobicContact CZ3-CG2 3.77Å; L384-V388 PolarHBondContact O-N 2.87Å; V388-A390 VanDerWaalsContact C-N 3.28Å; V388-A390 PolarHBondContact O-N 2.83Å; V388-S391 VanDerWaalsContact O-CB 3.31Å; V388-S391 WeakPolarHBondContact O-CB 3.35Å; V388-S391 PolarHBondContact O-N 3Å; V388-S391 PolarHBondContact O-OG 3.13Å
389	K	92.5	Very high	87.6	Confident	172 Å²	172	78.4 Å²	78.4	75%	0.748	43%	0.433	S	S	*	.	H	α-helix	trans	-69.1	-24.2	176	-74.9	175.4	-178.1	-176.2	0	113.9	S385 R386 I387 S391	S385-K389 WeakPolarHBondContact O-CB 3.25Å; S385-K389 VanDerWaalsContact O-CG 3.24Å; S385-K389 WeakPolarHBondContact O-CG 2.91Å; S385-K389 PolarHBondContact O-N 3.37Å; S385-K389 VanDerWaalsContact O-N 3.13Å; R386-K389 PolarHBondContact O-N 2.78Å; I387-K389 VanDerWaalsContact C-N 3.29Å; I387-K389 PolarHBondContact O-N 3.1Å; K389-S391 VanDerWaalsContact C-N 3.29Å
390	A	91.4	Very high	87.2	Confident	52 Å²	52	79.2 Å²	79.2	43%	0.43	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.7	177.7	0	0	0	0	0	113	R386 I387 V388	R386-A390 WeakPolarHBondContact O-CB 3.38Å; R386-A390 PolarHBondContact O-N 3.27Å; I387-A390 CarbonylContact O-C 3.35Å; I387-A390 PolarHBondContact O-N 2.79Å; V388-A390 VanDerWaalsContact C-N 3.28Å; V388-A390 PolarHBondContact O-N 2.83Å
391	S	92	Very high	86.9	Confident	23 Å²	23	76.4 Å²	76.4	16%	0.161	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-60.7	150.4	175.2	66.8	0	0	0	0	111.4	T363 L364 I387 V388 K389	T363-S391 VanDerWaalsContact CB-OG 3.22Å; T363-S391 WeakPolarHBondContact CB-OG 3.41Å; T363-S391 PolarHBondContact OG1-OG 3.08Å; T363-S391 VanDerWaalsContact OG1-OG 3.07Å; L364-S391 WeakPolarHBondContact O-CA 3.36Å; L364-S391 WeakPolarHBondContact O-CB 3.49Å; I387-S391 PolarHBondContact O-N 3.13Å; V388-S391 VanDerWaalsContact O-CB 3.31Å; V388-S391 WeakPolarHBondContact O-CB 3.35Å; V388-S391 PolarHBondContact O-N 3Å; V388-S391 PolarHBondContact O-OG 3.13Å; K389-S391 VanDerWaalsContact C-N 3.29Å
392	I	90.1	Very high	86.9	Confident	55 Å²	55	79.8 Å²	79.8	28%	0.282	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.1	-177.7	55.8	166.6	0	0	0	111.1	W347 T363 L364 A394	W347-I392 HydrophobicContact CH2-CD1 3.43Å; W347-I392 VanDerWaalsContact CH2-CD1 3.43Å; W347-I392 HydrophobicContact CH2-CG1 3.99Å; W347-I392 HydrophobicContact CZ2-CD1 3.99Å; W347-I392 HydrophobicContact CZ3-CD1 4.4Å; T363-I392 CarbonylContact C-O 3.57Å; T363-I392 VanDerWaalsContact CA-O 3.27Å; T363-I392 WeakPolarHBondContact CA-O 3.09Å; L364-I392 PolarHBondContact N-O 3.01Å; L364-I392 WeakPolarHBondContact O-CG1 3.33Å; L364-I392 PolarHBondContact O-N 2.95Å; I392-A394 PolarHBondContact O-N 2.89Å
393	P	91	Very high	86.6	Confident	97 Å²	97	85.6 Å²	85.6	63%	0.63	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	137.8	176.1	-23.2	33.8	0	0	0	112
394	A	88.2	Confident	86.1	Confident	18 Å²	18	86 Å²	86	15%	0.149	45%	0.45	C	S	.	.	S	Bend	trans	-71.2	-31.4	177.5	0	0	0	0	0	112.7	L359 C362 L364 I392 H396	L359-A394 HydrophobicContact CD2-CB 4.3Å; C362-A394 HydrophobicContact CB-CB 3.8Å; C362-A394 WeakPolarHBondContact O-CB 3.46Å; C362-A394 PolarHBondContact O-N 3.3Å; L364-A394 HydrophobicContact CD1-CB 3.94Å; L364-A394 HydrophobicContact CD2-CB 3.96Å; L364-A394 HydrophobicContact CG-CB 3.85Å; I392-A394 PolarHBondContact O-N 2.89Å; A394-H396 PolarHBondContact O-N 3.06Å
395	A	79.5	Confident	85.7	Confident	50 Å²	50	88.9 Å²	88.9	41%	0.413	47%	0.465	S	S	.	.			trans	-73.1	112	178.2	0	0	0	0	0	111.2	L359	L359-A395 HydrophobicContact CB-CB 4.2Å
396	H	69.6	Low	85.3	Confident	106 Å²	106	94.5 Å²	94.5	49%	0.491	48%	0.48	S	S	.	.			trans	-98.8	146.6	172.2	-154.1	-69.8	0	0	0	111.5	A394 V400	A394-H396 PolarHBondContact O-N 3.06Å; H396-V400 VanDerWaalsContact CE1-CB 3.48Å; H396-V400 WeakPolarHBondContact CE1-CB 3.13Å; H396-V400 WeakPolarHBondContact CE1-CG1 3.17Å; H396-V400 WeakPolarHBondContact ND1-CG1 3.32Å
397	K	63.2	Low	84.8	Confident	170 Å²	170	90.2 Å²	90.2	74%	0.739	47%	0.468	S	S	*	.			trans	-72.1	149.4	171.4	-62.5	-178.4	-179.1	-178.6	0	110	I399	K397-I399 PolarHBondContact O-N 2.94Å
398	S	70.8	Confident	84.2	Confident	134 Å²	134	91.1 Å²	91.1	94%	0.937	47%	0.473	S	S	*	.	S	Bend	trans	-60.3	-11.2	-179.5	-50.3	0	0	0	0	114.9
399	I	78.6	Confident	84	Confident	147 Å²	147	93.3 Å²	93.3	75%	0.754	49%	0.487	S	S	*	.	S	Bend	trans	-123.1	130.5	175.3	-57.8	174.4	0	0	0	107.9	K397	K397-I399 PolarHBondContact O-N 2.94Å
400	V	83.4	Confident	83.7	Confident	66 Å²	66	91.2 Å²	91.2	40%	0.4	48%	0.475	S	S	.	.			trans	-124.9	143.4	-175.1	-40	0	0	0	0	109.6	H396 L405	H396-V400 VanDerWaalsContact CE1-CB 3.48Å; H396-V400 WeakPolarHBondContact CE1-CB 3.13Å; H396-V400 WeakPolarHBondContact CE1-CG1 3.17Å; H396-V400 WeakPolarHBondContact ND1-CG1 3.32Å; V400-L405 HydrophobicContact CB-CD2 4.48Å; V400-L405 HydrophobicContact CB-CG 4.48Å; V400-L405 HydrophobicContact CG2-CD1 3.61Å; V400-L405 HydrophobicContact CG2-CD2 3.92Å; V400-L405 HydrophobicContact CG2-CG 3.79Å
401	S	86.9	Confident	83.3	Confident	54 Å²	54	89.6 Å²	89.6	38%	0.378	46%	0.463	S	S	.	.			trans	-100.4	157.3	173.4	63.4	0	0	0	0	110.9	K403 Q404 L405	S401-K403 PolarHBondContact O-N 2.81Å; S401-K403 VanDerWaalsContact O-N 3.14Å; S401-Q404 WeakPolarHBondContact O-CB 3.25Å; S401-Q404 PolarHBondContact O-N 3.39Å; S401-Q404 PolarHBondContact OG-OE1 2.87Å; S401-L405 PolarHBondContact O-N 3.19Å
402	F	89.5	Confident	83.1	Confident	138 Å²	138	93.5 Å²	93.5	61%	0.605	48%	0.479	S	S	*	.	H	α-helix	trans	-55.7	-33	173.6	179.7	-106.7	0	0	0	112.2	Q404 L405 R406 V409	F402-Q404 PolarHBondContact O-N 3.36Å; F402-L405 CarbonylContact O-C 3.42Å; F402-L405 PolarHBondContact O-N 3.34Å; F402-L405 VanDerWaalsContact O-N 3.07Å; F402-R406 HydrophobicContact CE1-CB 4.3Å; F402-R406 HydrophobicContact CE1-CG 4.21Å; F402-R406 HydrophobicContact CZ-CB 4.37Å; F402-R406 HydrophobicContact CZ-CG 4.27Å; F402-R406 WeakPolarHBondContact O-CA 3.41Å; F402-R406 WeakPolarHBondContact O-CB 3.29Å; F402-R406 PolarHBondContact O-N 3.41Å; F402-V409 HydrophobicContact CE2-CG2 4.38Å
403	K	87.3	Confident	83	Confident	187 Å²	187	96.8 Å²	96.8	81%	0.813	50%	0.496	S	S	*	.	H	α-helix	trans	-56	-34.8	174.4	-174.8	178.8	178.4	-179.7	0	112.7	S401	S401-K403 PolarHBondContact O-N 2.81Å; S401-K403 VanDerWaalsContact O-N 3.14Å
404	Q	81.8	Confident	82.9	Confident	87 Å²	87	96.1 Å²	96.1	41%	0.407	49%	0.49	S	S	.	.	H	α-helix	trans	-80.7	-33.3	177.2	-68.6	164.8	-45.9	0	0	112.2	S401 F402	S401-Q404 WeakPolarHBondContact O-CB 3.25Å; S401-Q404 PolarHBondContact O-N 3.39Å; S401-Q404 PolarHBondContact OG-OE1 2.87Å; F402-Q404 PolarHBondContact O-N 3.36Å
405	L	85.8	Confident	82.7	Confident	64 Å²	64	97.8 Å²	97.8	34%	0.335	50%	0.497	S	S	.	.	H	α-helix	trans	-82.7	-18.8	179.7	-63.2	-179.7	0	0	0	114.1	V400 S401 F402 E407 D408 V409	V400-L405 HydrophobicContact CB-CD2 4.48Å; V400-L405 HydrophobicContact CB-CG 4.48Å; V400-L405 HydrophobicContact CG2-CD1 3.61Å; V400-L405 HydrophobicContact CG2-CD2 3.92Å; V400-L405 HydrophobicContact CG2-CG 3.79Å; S401-L405 PolarHBondContact O-N 3.19Å; F402-L405 CarbonylContact O-C 3.42Å; F402-L405 PolarHBondContact O-N 3.34Å; F402-L405 VanDerWaalsContact O-N 3.07Å; L405-E407 VanDerWaalsContact C-N 3.28Å; L405-E407 PolarHBondContact O-N 2.77Å; L405-E407 VanDerWaalsContact O-N 3.13Å; L405-D408 WeakPolarHBondContact O-CA 3.43Å; L405-D408 WeakPolarHBondContact O-CB 3.41Å; L405-D408 PolarHBondContact O-N 3.14Å; L405-V409 HydrophobicContact CB-CG2 4.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.35Å; L405-V409 PolarHBondContact O-N 2.82Å
406	R	88.1	Confident	83.1	Confident	156 Å²	156	99.7 Å²	99.7	59%	0.589	50%	0.504	S	S	*	.	H	α-helix	trans	-48.4	-47.9	-169.1	-177.5	-178.7	-177	176.5	0.8	113.3	F402 Y410	F402-R406 HydrophobicContact CE1-CB 4.3Å; F402-R406 HydrophobicContact CE1-CG 4.21Å; F402-R406 HydrophobicContact CZ-CB 4.37Å; F402-R406 HydrophobicContact CZ-CG 4.27Å; F402-R406 WeakPolarHBondContact O-CA 3.41Å; F402-R406 WeakPolarHBondContact O-CB 3.29Å; F402-R406 PolarHBondContact O-N 3.41Å; R406-Y410 PolarHBondContact O-N 3.32Å
407	E	82.8	Confident	83.9	Confident	97 Å²	97	100.1 Å²	100.1	45%	0.453	51%	0.509	S	S	.	.	H	α-helix	trans	-75.1	-32.3	-178.5	-60.7	-54.3	134.9	0	0	112.5	L405 Y410 G411	L405-E407 VanDerWaalsContact C-N 3.28Å; L405-E407 PolarHBondContact O-N 2.77Å; L405-E407 VanDerWaalsContact O-N 3.13Å; E407-Y410 PolarHBondContact O-N 3.01Å; E407-G411 PolarHBondContact O-N 2.88Å
408	D	82.4	Confident	84.9	Confident	30 Å²	30	94.8 Å²	94.8	16%	0.16	49%	0.487	C	S	.	.	H	α-helix	trans	-66.5	-44.1	172.8	-71.6	-36.1	0	0	0	110	W347 R366 L405 Y410 G411 E412	W347-D408 PolarHBondContact NE1-OD1 3.42Å; W347-D408 VanDerWaalsContact NE1-OD1 3.1Å; R366-D408 IonicContact CZ-OD1 2.97Å; R366-D408 IonicContact CZ-OD2 3.92Å; R366-D408 IonicContact NE-OD1 2.86Å; R366-D408 PolarHBondContact NE-OD1 3.19Å; R366-D408 IonicContact NH2-OD1 3.19Å; R366-D408 PolarHBondContact NH2-OD1 3.37Å; R366-D408 IonicContact NH2-OD2 3.9Å; R366-D408 PolarHBondContact NH2-OD2 3.01Å; L405-D408 WeakPolarHBondContact O-CA 3.43Å; L405-D408 WeakPolarHBondContact O-CB 3.41Å; L405-D408 PolarHBondContact O-N 3.14Å; D408-Y410 PolarHBondContact O-N 3.17Å; D408-G411 PolarHBondContact O-N 2.7Å; D408-E412 PolarHBondContact O-N 2.82Å
409	V	88.4	Confident	85.7	Confident	57 Å²	57	90 Å²	90	35%	0.345	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-46.1	175.2	174.1	0	0	0	0	110.7	F402 L405 G411 E412 L413	F402-V409 HydrophobicContact CE2-CG2 4.38Å; L405-V409 HydrophobicContact CB-CG2 4.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.35Å; L405-V409 PolarHBondContact O-N 2.82Å; V409-G411 VanDerWaalsContact C-N 3.33Å; V409-G411 PolarHBondContact O-N 2.88Å; V409-E412 PolarHBondContact O-N 2.85Å; V409-L413 HydrophobicContact CG1-CD1 4.01Å; V409-L413 HydrophobicContact CG1-CG 4.45Å; V409-L413 VanDerWaalsContact O-CG 3.25Å; V409-L413 WeakPolarHBondContact O-CG 3.25Å; V409-L413 PolarHBondContact O-N 2.68Å
410	Y	87.1	Confident	86.3	Confident	128 Å²	128	83.4 Å²	83.4	50%	0.502	42%	0.419	S	S	.	.	H	α-helix	trans	-59.9	-44.3	174.9	179.7	-101.3	0	0	0	111.7	R406 E407 D408 E412 L413 V414	R406-Y410 PolarHBondContact O-N 3.32Å; E407-Y410 PolarHBondContact O-N 3.01Å; D408-Y410 PolarHBondContact O-N 3.17Å; Y410-E412 VanDerWaalsContact C-N 3.33Å; Y410-E412 PolarHBondContact O-N 3.24Å; Y410-L413 PolarHBondContact O-N 3.43Å; Y410-V414 HydrophobicContact CD1-CG2 4.11Å; Y410-V414 HydrophobicContact CD2-CG2 4.26Å; Y410-V414 HydrophobicContact CE1-CG2 3.63Å; Y410-V414 HydrophobicContact CE2-CG2 3.79Å; Y410-V414 HydrophobicContact CG-CG2 4.41Å; Y410-V414 VanDerWaalsContact CZ-CG2 3.46Å; Y410-V414 WeakPolarHBondContact O-CG2 3.45Å; Y410-V414 PolarHBondContact O-N 3.34Å
411	G	83.5	Confident	86.7	Confident	18 Å²	18	80.9 Å²	80.9	19%	0.186	41%	0.407	C	S	.	.	H	α-helix	trans	-58.3	-42.6	177	0	0	0	0	0	112.9	E407 D408 V409 N415	E407-G411 PolarHBondContact O-N 2.88Å; D408-G411 PolarHBondContact O-N 2.7Å; V409-G411 VanDerWaalsContact C-N 3.33Å; V409-G411 PolarHBondContact O-N 2.88Å; G411-N415 WeakPolarHBondContact O-CB 3.42Å; G411-N415 PolarHBondContact O-N 3.43Å; G411-N415 PolarHBondContact O-ND2 3.29Å
412	E	86.9	Confident	87	Confident	105 Å²	105	79.2 Å²	79.2	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-40.8	175.7	-72.8	-177.6	-157.9	0	0	112.5	I344 D408 V409 Y410 N415 T416 V419	I344-E412 HydrophobicContact CD1-CG 4.32Å; D408-E412 PolarHBondContact O-N 2.82Å; V409-E412 PolarHBondContact O-N 2.85Å; Y410-E412 VanDerWaalsContact C-N 3.33Å; Y410-E412 PolarHBondContact O-N 3.24Å; E412-N415 CarbonylContact O-C 3.58Å; E412-N415 PolarHBondContact O-N 3.27Å; E412-T416 PolarHBondContact O-N 3.28Å; E412-V419 HydrophobicContact CB-CG2 3.82Å; E412-V419 HydrophobicContact CG-CG2 3.86Å
413	L	88.5	Confident	87.3	Confident	123 Å²	123	76.8 Å²	76.8	64%	0.644	38%	0.384	S	S	*	.	H	α-helix	trans	-65.7	-39.2	178.1	-70	172.1	0	0	0	112.5	V409 Y410 T416	V409-L413 HydrophobicContact CG1-CD1 4.01Å; V409-L413 HydrophobicContact CG1-CG 4.45Å; V409-L413 VanDerWaalsContact O-CG 3.25Å; V409-L413 WeakPolarHBondContact O-CG 3.25Å; V409-L413 PolarHBondContact O-N 2.68Å; Y410-L413 PolarHBondContact O-N 3.43Å; L413-T416 PolarHBondContact O-OG1 2.85Å
414	V	87.7	Confident	87.6	Confident	84 Å²	84	68.4 Å²	68.4	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-72	-37.2	177.3	172.5	0	0	0	0	111.4	Y410	Y410-V414 HydrophobicContact CD1-CG2 4.11Å; Y410-V414 HydrophobicContact CD2-CG2 4.26Å; Y410-V414 HydrophobicContact CE1-CG2 3.63Å; Y410-V414 HydrophobicContact CE2-CG2 3.79Å; Y410-V414 HydrophobicContact CG-CG2 4.41Å; Y410-V414 VanDerWaalsContact CZ-CG2 3.46Å; Y410-V414 WeakPolarHBondContact O-CG2 3.45Å; Y410-V414 PolarHBondContact O-N 3.34Å
415	N	84.9	Confident	88.2	Confident	52 Å²	52	69 Å²	69	28%	0.278	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	45.1	-174.4	-60.8	-74.2	0	0	0	112.4	I344 G411 E412 D417 Q418 V419	I344-N415 HydrophobicContact CD1-CB 3.81Å; G411-N415 WeakPolarHBondContact O-CB 3.42Å; G411-N415 PolarHBondContact O-N 3.43Å; G411-N415 PolarHBondContact O-ND2 3.29Å; E412-N415 CarbonylContact O-C 3.58Å; E412-N415 PolarHBondContact O-N 3.27Å; N415-D417 PolarHBondContact O-N 3.42Å; N415-D417 VanDerWaalsContact O-N 3.13Å; N415-Q418 HydrophobicContact CB-CB 4.27Å; N415-Q418 HydrophobicContact CB-CG 4.34Å; N415-Q418 PolarHBondContact O-N 3.06Å; N415-V419 WeakPolarHBondContact O-CG2 3.18Å; N415-V419 PolarHBondContact O-N 2.94Å; N415-V419 VanDerWaalsContact O-N 3.07Å
416	T	87.4	Confident	88.5	Confident	91 Å²	91	68.5 Å²	68.5	56%	0.558	35%	0.35	S	S	*	.	H	α-helix	trans	-53.1	-39.7	-174.9	-43.6	0	0	0	0	112.8	E412 L413 Q418 V419 A420	E412-T416 PolarHBondContact O-N 3.28Å; L413-T416 PolarHBondContact O-OG1 2.85Å; T416-Q418 VanDerWaalsContact C-N 3.31Å; T416-Q418 PolarHBondContact O-N 3.46Å; T416-V419 PolarHBondContact O-N 3.29Å; T416-A420 PolarHBondContact O-N 3.46Å
417	D	87.3	Confident	88.7	Confident	114 Å²	114	61.2 Å²	61.2	61%	0.61	32%	0.323	S	S	*	.	H	α-helix	trans	-64.7	-31.3	178.2	-86.9	-42.6	0	0	0	113.8	N415 K423	N415-D417 PolarHBondContact O-N 3.42Å; N415-D417 VanDerWaalsContact O-N 3.13Å; D417-K423 IonicContact OD1-NZ 3.6Å; D417-K423 PolarHBondContact OD1-NZ 3.38Å
418	Q	84.7	Confident	89.1	Confident	58 Å²	58	60.2 Å²	60.2	27%	0.271	33%	0.325	S	S	.	.	H	α-helix	trans	-81.3	-37.1	177.9	-58.2	-174.8	16.2	0	0	111.1	I344 N415 T416 A420 G421	I344-Q418 HydrophobicContact CB-CB 4.26Å; I344-Q418 HydrophobicContact CG2-CB 3.66Å; N415-Q418 HydrophobicContact CB-CB 4.27Å; N415-Q418 HydrophobicContact CB-CG 4.34Å; N415-Q418 PolarHBondContact O-N 3.06Å; T416-Q418 VanDerWaalsContact C-N 3.31Å; T416-Q418 PolarHBondContact O-N 3.46Å; Q418-A420 PolarHBondContact O-N 2.94Å; Q418-G421 PolarHBondContact O-N 3.16Å
419	V	87.4	Confident	89.6	Confident	34 Å²	34	62.1 Å²	62.1	21%	0.206	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-33	174.6	177.3	0	0	0	0	111.3	I344 E412 N415 T416 G421 R438 F642	I344-V419 HydrophobicContact CD1-CG2 3.97Å; E412-V419 HydrophobicContact CB-CG2 3.82Å; E412-V419 HydrophobicContact CG-CG2 3.86Å; N415-V419 WeakPolarHBondContact O-CG2 3.18Å; N415-V419 PolarHBondContact O-N 2.94Å; N415-V419 VanDerWaalsContact O-N 3.07Å; T416-V419 PolarHBondContact O-N 3.29Å; V419-G421 PolarHBondContact O-N 3.2Å; V419-R438 WeakPolarHBondContact O-CD 3.46Å; V419-F642 HydrophobicContact CG1-CE2 4.09Å; V419-F642 HydrophobicContact CG1-CZ 4.19Å
420	A	90.5	Very high	89.8	Confident	8 Å²	8	59.4 Å²	59.4	7%	0.066	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.6	173.4	0	0	0	0	0	113.6	T416 Q418 K435 G436 R438	T416-A420 PolarHBondContact O-N 3.46Å; Q418-A420 PolarHBondContact O-N 2.94Å; A420-K435 HydrophobicContact CB-CB 3.83Å; A420-G436 CarbonylContact O-C 3.59Å; A420-G436 WeakPolarHBondContact O-CA 3.24Å; A420-G436 PolarHBondContact O-N 3.18Å; A420-R438 WeakPolarHBondContact O-CG 3.3Å; A420-R438 PolarHBondContact O-NH1 2.73Å; A420-R438 VanDerWaalsContact O-NH1 3.08Å
421	G	91.4	Very high	90.2	Very high	13 Å²	13	54.7 Å²	54.7	13%	0.134	30%	0.3	C	S	.	.			trans	92.5	-160.8	178	0	0	0	0	0	113.5	Q418 V419 H437	Q418-G421 PolarHBondContact O-N 3.16Å; V419-G421 PolarHBondContact O-N 3.2Å; G421-H437 CarbonylContact C-O 3.59Å; G421-H437 VanDerWaalsContact CA-O 3.24Å; G421-H437 WeakPolarHBondContact CA-O 3.48Å
422	V	93.8	Very high	90.7	Very high	20 Å²	20	60.3 Å²	60.3	12%	0.121	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-83.6	118	178.5	-177.2	0	0	0	0	109.3	G436 H437 L464 Q467 V469	V422-G436 WeakPolarHBondContact O-CA 3.36Å; V422-H437 HydrophobicContact CB-CB 4.44Å; V422-H437 PolarHBondContact N-O 2.76Å; V422-H437 WeakPolarHBondContact O-CB 3.27Å; V422-H437 PolarHBondContact O-N 2.82Å; V422-L464 HydrophobicContact CB-CD2 4.05Å; V422-L464 HydrophobicContact CG1-CD2 3.77Å; V422-Q467 HydrophobicContact CG1-CB 4.18Å; V422-V469 HydrophobicContact CB-CG2 4.31Å; V422-V469 HydrophobicContact CG1-CG2 4.15Å; V422-V469 HydrophobicContact CG2-CG2 3.89Å
423	K	95.3	Very high	91.1	Very high	87 Å²	87	55.4 Å²	55.4	38%	0.378	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-75.8	136	179.6	-68.6	178	-175.3	174.2	0	109.7	D417 T425 N431 K435 Q467	D417-K423 IonicContact OD1-NZ 3.6Å; D417-K423 PolarHBondContact OD1-NZ 3.38Å; K423-T425 PolarHBondContact O-N 3.39Å; K423-N431 WeakPolarHBondContact CA-OD1 3.32Å; K423-K435 WeakPolarHBondContact CG-O 3.45Å; K423-Q467 PolarHBondContact O-NE2 3.36Å; K423-Q467 PolarHBondContact O-OE1 2.88Å; K423-Q467 VanDerWaalsContact O-OE1 3.13Å
424	W	94.9	Very high	91.5	Very high	10 Å²	10	49.6 Å²	49.6	4%	0.038	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-71.7	128.5	174.9	-67.1	-80.4	0	0	0	110.7	F427 L430 N431 L434 G436 H437 L460 D463	W424-F427 HydrophobicContact CB-CB 3.98Å; W424-F427 HydrophobicContact CB-CD2 4.36Å; W424-L430 HydrophobicContact CD2-CD2 3.78Å; W424-L430 HydrophobicContact CD2-CG 4.4Å; W424-L430 HydrophobicContact CE3-CB 4.21Å; W424-L430 HydrophobicContact CE3-CD2 3.66Å; W424-L430 HydrophobicContact CE3-CG 3.78Å; W424-L430 HydrophobicContact CG-CD2 4.45Å; W424-L430 HydrophobicContact CH2-CD2 4.08Å; W424-L430 HydrophobicContact CH2-CG 4.4Å; W424-L430 HydrophobicContact CZ2-CD2 4.16Å; W424-L430 HydrophobicContact CZ3-CD2 3.84Å; W424-L430 HydrophobicContact CZ3-CG 3.81Å; W424-N431 VanDerWaalsContact CE3-OD1 3.27Å; W424-N431 PolarHBondContact N-ND2 2.86Å; W424-N431 PolarHBondContact N-OD1 2.87Å; W424-N431 PolarHBondContact O-ND2 2.9Å; W424-L434 HydrophobicContact CH2-CB 4.45Å; W424-L434 HydrophobicContact CH2-CD1 3.92Å; W424-L434 HydrophobicContact CZ3-CB 4.04Å; W424-L434 HydrophobicContact CZ3-CD1 4.14Å; W424-G436 VanDerWaalsContact CZ3-C 3.48Å; W424-H437 HydrophobicContact CH2-CB 3.9Å; W424-H437 HydrophobicContact CZ2-CB 3.59Å; W424-L460 VanDerWaalsContact CD1-CD1 3.47Å; W424-L460 HydrophobicContact CD2-CD1 4.17Å; W424-L460 HydrophobicContact CG-CD1 3.99Å; W424-L460 HydrophobicContact CZ2-CD1 4.45Å; W424-L460 VanDerWaalsContact NE1-CD1 3.27Å; W424-D463 WeakPolarHBondContact CA-OD2 3.45Å
425	T	93.7	Very high	91.8	Very high	100 Å²	100	48.2 Å²	48.2	61%	0.613	25%	0.249	S	C	*	.	S	Bend	trans	-76.4	-41.6	-179.6	-56.9	0	0	0	0	110.5	K423 D463	K423-T425 PolarHBondContact O-N 3.39Å; T425-D463 WeakPolarHBondContact CB-OD1 3.33Å; T425-D463 PolarHBondContact N-OD1 3.04Å; T425-D463 PolarHBondContact N-OD2 2.88Å
426	R	90.8	Very high	92.2	Very high	53 Å²	53	45.8 Å²	45.8	20%	0.2	24%	0.236	C	C	.	.	S	Bend	trans	-78	-18.1	-179.6	-66.7	173.2	72.2	134.2	20.7	114.7	P428 E459 D463 Q490 M493	R426-P428 VanDerWaalsContact C-CD 3.47Å; R426-P428 WeakPolarHBondContact O-CD 3.44Å; R426-E459 IonicContact CZ-OE1 3.39Å; R426-E459 IonicContact NE-OE1 3.8Å; R426-E459 PolarHBondContact NE-OE1 2.78Å; R426-E459 IonicContact NH1-OE1 2.68Å; R426-E459 IonicContact NH2-OE1 3.26Å; R426-E459 PolarHBondContact NH2-OE1 3.49Å; R426-D463 WeakPolarHBondContact CB-OD1 3.47Å; R426-D463 VanDerWaalsContact CG-OD1 3.22Å; R426-D463 WeakPolarHBondContact CG-OD1 3.22Å; R426-D463 PolarHBondContact N-OD1 3.36Å; R426-Q490 PolarHBondContact NH1-O 3.34Å; R426-M493 PolarHBondContact NH2-SD 2.79Å; R426-M493 VanDerWaalsContact NH2-SD 3.43Å
427	F	92.4	Very high	92.6	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	21%	0.211	C	C	.	.			trans	-124	69.4	-175.8	-57	-75.9	0	0	0	113.7	W424 E429 L430 N431 F456 E459 L460 L651 F660	W424-F427 HydrophobicContact CB-CB 3.98Å; W424-F427 HydrophobicContact CB-CD2 4.36Å; F427-E429 VanDerWaalsContact C-N 3.34Å; F427-E429 PolarHBondContact O-N 3.2Å; F427-L430 HydrophobicContact CB-CB 3.85Å; F427-L430 HydrophobicContact CB-CD2 4.44Å; F427-L430 WeakPolarHBondContact O-CB 3.47Å; F427-L430 PolarHBondContact O-N 2.78Å; F427-L430 VanDerWaalsContact O-N 3.07Å; F427-N431 PolarHBondContact O-N 3.15Å; F427-F456 HydrophobicContact CD1-CE2 4.31Å; F427-F456 HydrophobicContact CE1-CD2 4.5Å; F427-F456 AromaticContact CE1-CE2 3.65Å; F427-F456 HydrophobicContact CE1-CE2 3.65Å; F427-F456 HydrophobicContact CE1-CZ 4.31Å; F427-F456 HydrophobicContact CZ-CD2 4.47Å; F427-F456 AromaticContact CZ-CE2 3.87Å; F427-F456 HydrophobicContact CZ-CE2 3.87Å; F427-F456 HydrophobicContact CZ-CZ 4.46Å; F427-E459 HydrophobicContact CE2-CG 4.15Å; F427-E459 HydrophobicContact CZ-CG 3.99Å; F427-L460 HydrophobicContact CD2-CD1 3.71Å; F427-L460 HydrophobicContact CE2-CB 4.48Å; F427-L460 HydrophobicContact CE2-CD1 4.01Å; F427-L460 HydrophobicContact CG-CD1 4.43Å; F427-L651 HydrophobicContact CE1-CD2 4.5Å; F427-F660 HydrophobicContact CE1-CB 4.2Å
428	P	92.8	Very high	93	Very high	76 Å²	76	37.1 Å²	37.1	49%	0.494	19%	0.185	S	C	.	.	H	α-helix	trans	-60.3	-36.2	-179.8	-24.7	34.4	0	0	0	114.7	R426 L430 N431 R432	R426-P428 VanDerWaalsContact C-CD 3.47Å; R426-P428 WeakPolarHBondContact O-CD 3.44Å; P428-L430 VanDerWaalsContact C-N 3.26Å; P428-L430 PolarHBondContact O-N 3.31Å; P428-N431 WeakPolarHBondContact O-CB 3.46Å; P428-N431 PolarHBondContact O-N 3.13Å; P428-N431 VanDerWaalsContact O-N 3.16Å; P428-R432 PolarHBondContact O-N 3.33Å
429	E	92.7	Very high	93.4	Very high	71 Å²	71	37.8 Å²	37.8	33%	0.332	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-32.1	176.3	-73.7	-61.1	151.9	0	0	112.1	F427 R432 I433 F649 T662	F427-E429 VanDerWaalsContact C-N 3.34Å; F427-E429 PolarHBondContact O-N 3.2Å; E429-R432 WeakPolarHBondContact O-CB 3.45Å; E429-R432 PolarHBondContact O-N 2.96Å; E429-R432 IonicContact OE2-CZ 3.79Å; E429-R432 IonicContact OE2-NE 3.16Å; E429-R432 PolarHBondContact OE2-NE 3.49Å; E429-R432 IonicContact OE2-NH2 3.62Å; E429-R432 PolarHBondContact OE2-NH2 3.37Å; E429-I433 PolarHBondContact O-N 3.46Å; E429-F649 HydrophobicContact CB-CB 4.19Å; E429-F649 HydrophobicContact CB-CD1 3.9Å; E429-F649 HydrophobicContact CB-CD2 3.97Å; E429-F649 HydrophobicContact CB-CE1 4.18Å; E429-F649 HydrophobicContact CB-CE2 4.23Å; E429-F649 HydrophobicContact CB-CG 3.77Å; E429-F649 HydrophobicContact CB-CZ 4.32Å; E429-F649 HydrophobicContact CG-CB 4.34Å; E429-F649 HydrophobicContact CG-CG 4.41Å; E429-T662 HydrophobicContact CG-CG2 4.3Å
430	L	93.2	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-39	173.9	-168.5	61.6	0	0	0	110.8	W424 F427 P428 R432 I433 L434 L460 L619 L635 V637 F649	W424-L430 HydrophobicContact CD2-CD2 3.78Å; W424-L430 HydrophobicContact CD2-CG 4.4Å; W424-L430 HydrophobicContact CE3-CB 4.21Å; W424-L430 HydrophobicContact CE3-CD2 3.66Å; W424-L430 HydrophobicContact CE3-CG 3.78Å; W424-L430 HydrophobicContact CG-CD2 4.45Å; W424-L430 HydrophobicContact CH2-CD2 4.08Å; W424-L430 HydrophobicContact CH2-CG 4.4Å; W424-L430 HydrophobicContact CZ2-CD2 4.16Å; W424-L430 HydrophobicContact CZ3-CD2 3.84Å; W424-L430 HydrophobicContact CZ3-CG 3.81Å; F427-L430 HydrophobicContact CB-CB 3.85Å; F427-L430 HydrophobicContact CB-CD2 4.44Å; F427-L430 WeakPolarHBondContact O-CB 3.47Å; F427-L430 PolarHBondContact O-N 2.78Å; F427-L430 VanDerWaalsContact O-N 3.07Å; P428-L430 VanDerWaalsContact C-N 3.26Å; P428-L430 PolarHBondContact O-N 3.31Å; L430-R432 VanDerWaalsContact C-N 3.29Å; L430-R432 PolarHBondContact O-N 3.45Å; L430-I433 PolarHBondContact O-N 2.98Å; L430-L434 HydrophobicContact CD1-CD1 3.58Å; L430-L434 HydrophobicContact CD1-CG 3.87Å; L430-L434 HydrophobicContact CD2-CD1 4.47Å; L430-L434 HydrophobicContact CG-CD1 3.98Å; L430-L434 HydrophobicContact CG-CG 4.37Å; L430-L434 WeakPolarHBondContact O-CB 3.4Å; L430-L434 PolarHBondContact O-N 3.38Å; L430-L460 HydrophobicContact CD2-CD1 3.63Å; L430-L619 HydrophobicContact CD1-CD2 4.4Å; L430-L635 HydrophobicContact CD1-CD2 4.02Å; L430-V637 HydrophobicContact CD1-CG2 4.11Å; L430-F649 HydrophobicContact CB-CE1 4.45Å; L430-F649 HydrophobicContact CB-CZ 4.04Å; L430-F649 HydrophobicContact CD1-CE1 4.31Å; L430-F649 HydrophobicContact CD1-CZ 4.29Å
431	N	94.8	Very high	94	Very high	28 Å²	28	37.4 Å²	37.4	15%	0.15	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-34.8	172.1	-62.3	-35.9	0	0	0	112.3	K423 W424 F427 P428 I433 K435	K423-N431 WeakPolarHBondContact CA-OD1 3.32Å; W424-N431 VanDerWaalsContact CE3-OD1 3.27Å; W424-N431 PolarHBondContact N-ND2 2.86Å; W424-N431 PolarHBondContact N-OD1 2.87Å; W424-N431 PolarHBondContact O-ND2 2.9Å; F427-N431 PolarHBondContact O-N 3.15Å; P428-N431 WeakPolarHBondContact O-CB 3.46Å; P428-N431 PolarHBondContact O-N 3.13Å; P428-N431 VanDerWaalsContact O-N 3.16Å; N431-I433 PolarHBondContact O-N 2.92Å; N431-K435 WeakPolarHBondContact O-CA 3.38Å; N431-K435 PolarHBondContact O-N 2.87Å
432	R	93.9	Very high	94.3	Very high	137 Å²	137	36.8 Å²	36.8	52%	0.517	18%	0.179	S	C	.	.	H	α-helix	trans	-60.7	-40.1	178	-171.2	177.4	64.9	79.9	2.2	111.4	P428 E429 L430 K435	P428-R432 PolarHBondContact O-N 3.33Å; E429-R432 WeakPolarHBondContact O-CB 3.45Å; E429-R432 PolarHBondContact O-N 2.96Å; E429-R432 IonicContact OE2-CZ 3.79Å; E429-R432 IonicContact OE2-NE 3.16Å; E429-R432 PolarHBondContact OE2-NE 3.49Å; E429-R432 IonicContact OE2-NH2 3.62Å; E429-R432 PolarHBondContact OE2-NH2 3.37Å; L430-R432 VanDerWaalsContact C-N 3.29Å; L430-R432 PolarHBondContact O-N 3.45Å; R432-K435 PolarHBondContact O-NZ 3.07Å
433	I	95.6	Very high	94.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-85.4	-63	-177.4	-56	172.1	0	0	0	110.3	E429 L430 N431 K435 V637 N640 D645 F649	E429-I433 PolarHBondContact O-N 3.46Å; L430-I433 PolarHBondContact O-N 2.98Å; N431-I433 PolarHBondContact O-N 2.92Å; I433-K435 VanDerWaalsContact C-N 3.34Å; I433-K435 PolarHBondContact O-N 2.97Å; I433-V637 HydrophobicContact CB-CG2 4.28Å; I433-V637 HydrophobicContact CD1-CB 4.45Å; I433-V637 HydrophobicContact CD1-CG2 3.87Å; I433-V637 HydrophobicContact CG2-CB 3.84Å; I433-V637 HydrophobicContact CG2-CG1 3.79Å; I433-V637 HydrophobicContact CG2-CG2 3.85Å; I433-N640 PolarHBondContact O-ND2 3.03Å; I433-D645 HydrophobicContact CG2-CB 4.18Å; I433-D645 WeakPolarHBondContact CG2-O 3.4Å; I433-F649 HydrophobicContact CD1-CD1 4.08Å; I433-F649 HydrophobicContact CD1-CE1 4.23Å
434	L	95.7	Very high	94.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-80.1	-9.6	-174.9	-65.6	-173.1	0	0	0	114.2	W424 L430 G436 R438 N617 L619 V637 N640	W424-L434 HydrophobicContact CH2-CB 4.45Å; W424-L434 HydrophobicContact CH2-CD1 3.92Å; W424-L434 HydrophobicContact CZ3-CB 4.04Å; W424-L434 HydrophobicContact CZ3-CD1 4.14Å; L430-L434 HydrophobicContact CD1-CD1 3.58Å; L430-L434 HydrophobicContact CD1-CG 3.87Å; L430-L434 HydrophobicContact CD2-CD1 4.47Å; L430-L434 HydrophobicContact CG-CD1 3.98Å; L430-L434 HydrophobicContact CG-CG 4.37Å; L430-L434 WeakPolarHBondContact O-CB 3.4Å; L430-L434 PolarHBondContact O-N 3.38Å; L434-G436 PolarHBondContact O-N 2.71Å; L434-R438 PolarHBondContact O-NH1 2.96Å; L434-R438 PolarHBondContact O-NH2 2.96Å; L434-N617 HydrophobicContact CD2-CB 4.29Å; L434-L619 HydrophobicContact CD1-CD2 4.31Å; L434-V637 HydrophobicContact CD2-CG1 3.81Å; L434-N640 HydrophobicContact CD2-CB 3.9Å
435	K	94.8	Very high	94.8	Very high	54 Å²	54	31.5 Å²	31.5	24%	0.235	16%	0.156	C	C	.	.			trans	66.1	-35.3	-171.7	-48	-52.9	-176.4	-149.7	0	115.6	A420 K423 N431 R432 I433 F642 D643 D645	A420-K435 HydrophobicContact CB-CB 3.83Å; K423-K435 WeakPolarHBondContact CG-O 3.45Å; N431-K435 WeakPolarHBondContact O-CA 3.38Å; N431-K435 PolarHBondContact O-N 2.87Å; R432-K435 PolarHBondContact O-NZ 3.07Å; I433-K435 VanDerWaalsContact C-N 3.34Å; I433-K435 PolarHBondContact O-N 2.97Å; K435-F642 HydrophobicContact CB-CD1 4.31Å; K435-F642 HydrophobicContact CB-CE1 4.09Å; K435-F642 HydrophobicContact CG-CD1 4.11Å; K435-F642 HydrophobicContact CG-CE1 4.01Å; K435-D643 WeakPolarHBondContact CE-OD1 3.29Å; K435-D643 WeakPolarHBondContact CE-OD2 3.38Å; K435-D643 HydrophobicContact CG-CB 4.16Å; K435-D643 IonicContact NZ-OD1 3.06Å; K435-D643 IonicContact NZ-OD2 2.82Å; K435-D643 PolarHBondContact NZ-OD2 3.46Å; K435-D645 IonicContact NZ-OD2 2.96Å; K435-D645 PolarHBondContact NZ-OD2 3.49Å; K435-D645 VanDerWaalsContact NZ-OD2 3.16Å
436	G	94.2	Very high	94.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	165.4	178.1	177.4	0	0	0	0	0	112.4	A420 V422 W424 L434 R438	A420-G436 CarbonylContact O-C 3.59Å; A420-G436 WeakPolarHBondContact O-CA 3.24Å; A420-G436 PolarHBondContact O-N 3.18Å; V422-G436 WeakPolarHBondContact O-CA 3.36Å; W424-G436 VanDerWaalsContact CZ3-C 3.48Å; L434-G436 PolarHBondContact O-N 2.71Å; G436-R438 PolarHBondContact O-NH1 2.82Å
437	H	95.4	Very high	95	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.032	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-85.2	115	176.1	177.3	-89.4	0	0	0	110.7	G421 V422 W424 L464 H544 H584	G421-H437 CarbonylContact C-O 3.59Å; G421-H437 VanDerWaalsContact CA-O 3.24Å; G421-H437 WeakPolarHBondContact CA-O 3.48Å; V422-H437 HydrophobicContact CB-CB 4.44Å; V422-H437 PolarHBondContact N-O 2.76Å; V422-H437 WeakPolarHBondContact O-CB 3.27Å; V422-H437 PolarHBondContact O-N 2.82Å; W424-H437 HydrophobicContact CH2-CB 3.9Å; W424-H437 HydrophobicContact CZ2-CB 3.59Å; H437-L464 HydrophobicContact CB-CD1 4.07Å; H437-L464 HydrophobicContact CB-CD2 3.79Å; H437-L464 VanDerWaalsContact CD2-CD1 3.49Å; H437-L464 WeakPolarHBondContact CD2-CD1 3.49Å; H437-H544 AromaticContact CE1-CG 3.96Å; H437-H544 AromaticContact NE2-CD2 3.41Å; H437-H544 PolarHBondContact NE2-CD2 2.97Å; H437-H544 AromaticContact NE2-CG 3.53Å; H437-H544 AromaticContact NE2-ND1 3.97Å; H437-H544 AromaticContact NE2-NE2 3.77Å; H437-H584 AromaticContact CD2-CD2 3.99Å; H437-H584 AromaticContact CD2-CE1 3.91Å; H437-H584 AromaticContact CD2-CG 3.74Å; H437-H584 AromaticContact CD2-ND1 3.68Å; H437-H584 WeakPolarHBondContact CE1-CB 2.76Å; H437-H584 AromaticContact CE1-CG 3.73Å; H437-H584 WeakPolarHBondContact NE2-CB 3.16Å; H437-H584 AromaticContact NE2-CD2 3.46Å; H437-H584 PolarHBondContact NE2-CD2 3.23Å; H437-H584 AromaticContact NE2-CG 3.09Å; H437-H584 AromaticContact NE2-ND1 3.5Å
438	R	94.8	Very high	94.8	Very high	16 Å²	16	26 Å²	26	6%	0.06	13%	0.128	C	C	.	.			trans	-109.9	143	-177.7	-70.6	172.5	-63.6	-75.4	-7.6	112.4	V419 A420 L434 G436 E441 H584 F642	V419-R438 WeakPolarHBondContact O-CD 3.46Å; A420-R438 WeakPolarHBondContact O-CG 3.3Å; A420-R438 PolarHBondContact O-NH1 2.73Å; A420-R438 VanDerWaalsContact O-NH1 3.08Å; L434-R438 PolarHBondContact O-NH1 2.96Å; L434-R438 PolarHBondContact O-NH2 2.96Å; G436-R438 PolarHBondContact O-NH1 2.82Å; R438-E441 HydrophobicContact CB-CG 4.12Å; R438-E441 IonicContact CZ-OE1 2.87Å; R438-E441 VanDerWaalsContact CZ-OE1 3.28Å; R438-E441 IonicContact CZ-OE2 2.81Å; R438-E441 IonicContact NE-OE1 3.08Å; R438-E441 PolarHBondContact NE-OE1 2.74Å; R438-E441 IonicContact NE-OE2 3.1Å; R438-E441 IonicContact NH2-OE1 2.84Å; R438-E441 PolarHBondContact NH2-OE1 3.21Å; R438-E441 IonicContact NH2-OE2 2.74Å; R438-E441 PolarHBondContact NH2-OE2 3.46Å; R438-H584 WeakPolarHBondContact O-CB 3.41Å; R438-H584 PolarHBondContact O-ND1 3.19Å; R438-F642 VanDerWaalsContact CZ-CG 3.44Å; R438-F642 VanDerWaalsContact NH2-CB 3.32Å
439	K	92.8	Very high	94.5	Very high	73 Å²	73	28 Å²	28	32%	0.317	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	151.1	173.3	-66.4	-174.4	-169.1	-166.8	0	110.6	E441 N543 S582	K439-E441 PolarHBondContact O-N 2.7Å; K439-N543 VanDerWaalsContact CE-OD1 3.24Å; K439-N543 WeakPolarHBondContact CE-OD1 3.16Å; K439-N543 PolarHBondContact NZ-OD1 2.96Å; K439-S582 WeakPolarHBondContact CB-O 3.4Å
440	G	93.8	Very high	94.1	Very high	14 Å²	14	27.7 Å²	27.7	14%	0.144	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-2.5	176.5	0	0	0	0	0	115.7	A578 C583	G440-A578 WeakPolarHBondContact CA-O 3.39Å; G440-C583 PolarHBondContact N-O 3.33Å
441	E	97.1	Very high	93.8	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.089	16%	0.156	C	C	.	.			trans	-90.2	151.2	177.7	-65.7	-168	160.7	0	0	112.8	R438 K439 H584 V585 D616 N617	R438-E441 HydrophobicContact CB-CG 4.12Å; R438-E441 IonicContact CZ-OE1 2.87Å; R438-E441 VanDerWaalsContact CZ-OE1 3.28Å; R438-E441 IonicContact CZ-OE2 2.81Å; R438-E441 IonicContact NE-OE1 3.08Å; R438-E441 PolarHBondContact NE-OE1 2.74Å; R438-E441 IonicContact NE-OE2 3.1Å; R438-E441 IonicContact NH2-OE1 2.84Å; R438-E441 PolarHBondContact NH2-OE1 3.21Å; R438-E441 IonicContact NH2-OE2 2.74Å; R438-E441 PolarHBondContact NH2-OE2 3.46Å; K439-E441 PolarHBondContact O-N 2.7Å; E441-H584 WeakPolarHBondContact O-CA 3.3Å; E441-V585 PolarHBondContact O-N 2.64Å; E441-D616 WeakPolarHBondContact CA-OD2 3.41Å; E441-D616 HydrophobicContact CB-CB 4.12Å; E441-D616 HydrophobicContact CG-CB 4.17Å; E441-N617 PolarHBondContact OE2-ND2 2.9Å
442	L	98.1	Very high	93.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.9	168.6	176.9	65.4	0	0	0	109.6	R575 V585 L587 A615 D616 N617	L442-R575 HydrophobicContact CD2-CB 4.02Å; L442-V585 WeakPolarHBondContact CA-O 3.4Å; L442-V585 HydrophobicContact CD1-CB 3.89Å; L442-V585 HydrophobicContact CD1-CG1 3.87Å; L442-L587 HydrophobicContact CD1-CB 4.28Å; L442-A615 HydrophobicContact CG-CB 4.47Å; L442-A615 CarbonylContact O-C 3.56Å; L442-A615 WeakPolarHBondContact O-CA 3.42Å; L442-D616 PolarHBondContact N-OD2 2.52Å; L442-D616 PolarHBondContact O-N 3.25Å; L442-N617 PolarHBondContact O-N 3.35Å
443	T	98.1	Very high	93.6	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.043	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.9	173.1	-62.5	0	0	0	0	110	H584 V585 T586 L587 N617 L619	T443-H584 WeakPolarHBondContact CB-NE2 3.47Å; T443-H584 PolarHBondContact OG1-CE1 3.04Å; T443-H584 PolarHBondContact OG1-NE2 3.27Å; T443-V585 PolarHBondContact N-O 2.9Å; T443-T586 CarbonylContact O-C 3.59Å; T443-T586 WeakPolarHBondContact O-CA 3.33Å; T443-L587 PolarHBondContact O-N 3.25Å; T443-N617 WeakPolarHBondContact CA-O 3.43Å; T443-N617 HydrophobicContact CG2-CB 4.05Å; T443-N617 PolarHBondContact OG1-ND2 3.35Å; T443-N617 VanDerWaalsContact OG1-ND2 3.16Å; T443-L619 HydrophobicContact CG2-CD1 3.83Å; T443-L619 HydrophobicContact CG2-CG 4.03Å
444	V	98	Very high	93.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.8	170.1	168.2	0	0	0	0	109.1	L587 I589 I605 A615 N617 V618 L619	V444-L587 WeakPolarHBondContact CA-O 3.47Å; V444-I589 HydrophobicContact CG1-CD1 3.82Å; V444-I589 HydrophobicContact CG1-CG1 4.19Å; V444-I589 HydrophobicContact CG2-CD1 4.12Å; V444-I605 HydrophobicContact CG1-CD1 4.11Å; V444-A615 HydrophobicContact CB-CB 4.09Å; V444-A615 HydrophobicContact CG2-CB 3.68Å; V444-N617 PolarHBondContact N-O 2.92Å; V444-V618 WeakPolarHBondContact O-CA 3.45Å; V444-L619 PolarHBondContact O-N 3.49Å
445	F	97.4	Very high	93.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.5	176	-177.7	-119.5	0	0	0	110.9	K453 F456 I457 L587 I588 I589 L619 L621 L635	F445-K453 HydrophobicContact CD1-CB 4.33Å; F445-K453 HydrophobicContact CD1-CG 4.42Å; F445-K453 HydrophobicContact CE1-CB 3.67Å; F445-K453 HydrophobicContact CE1-CD 4.44Å; F445-K453 HydrophobicContact CE1-CG 3.81Å; F445-K453 HydrophobicContact CZ-CG 4.41Å; F445-F456 HydrophobicContact CE1-CD1 4.28Å; F445-F456 HydrophobicContact CE2-CD1 4.02Å; F445-F456 HydrophobicContact CE2-CE1 4.32Å; F445-F456 HydrophobicContact CZ-CB 4.41Å; F445-F456 AromaticContact CZ-CD1 3.6Å; F445-F456 HydrophobicContact CZ-CD1 3.6Å; F445-F456 HydrophobicContact CZ-CE1 4.34Å; F445-F456 HydrophobicContact CZ-CG 4.31Å; F445-I457 HydrophobicContact CB-CD1 4.25Å; F445-I457 HydrophobicContact CD1-CD1 3.59Å; F445-I457 HydrophobicContact CD1-CG1 3.36Å; F445-I457 HydrophobicContact CD2-CD1 4.25Å; F445-I457 HydrophobicContact CE1-CD1 3.82Å; F445-I457 HydrophobicContact CE1-CG1 3.46Å; F445-I457 VanDerWaalsContact CE1-CG1 3.46Å; F445-I457 HydrophobicContact CE2-CD1 4.47Å; F445-I457 HydrophobicContact CG-CD1 3.78Å; F445-I457 HydrophobicContact CG-CG1 4.08Å; F445-I457 HydrophobicContact CZ-CD1 4.25Å; F445-I457 HydrophobicContact CZ-CG1 4.28Å; F445-L587 PolarHBondContact N-O 2.85Å; F445-I588 HydrophobicContact CD1-CG1 4.14Å; F445-I588 WeakPolarHBondContact O-CA 3.31Å; F445-I589 PolarHBondContact O-N 3.48Å; F445-L619 WeakPolarHBondContact CA-O 3.32Å; F445-L619 HydrophobicContact CD2-CB 3.62Å; F445-L619 WeakPolarHBondContact CD2-O 3.29Å; F445-L619 HydrophobicContact CE2-CB 4.34Å; F445-L621 HydrophobicContact CE2-CB 3.89Å; F445-L621 HydrophobicContact CZ-CB 3.7Å; F445-L621 HydrophobicContact CZ-CD2 4.22Å; F445-L635 HydrophobicContact CE2-CD1 3.71Å
446	T	95.6	Very high	93.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	164.1	179.7	-164.7	0	0	0	0	111.6	I589 I605 L619 I620 L621	T446-I589 WeakPolarHBondContact CA-O 3.14Å; T446-I589 WeakPolarHBondContact CB-O 3.47Å; T446-I589 PolarHBondContact OG1-O 3.03Å; T446-I605 HydrophobicContact CG2-CG1 3.94Å; T446-L619 PolarHBondContact N-O 3.29Å; T446-I620 HydrophobicContact CG2-CB 4.28Å; T446-I620 HydrophobicContact CG2-CD1 4.4Å; T446-I620 HydrophobicContact CG2-CG1 3.82Å; T446-I620 HydrophobicContact CG2-CG2 4.11Å; T446-I620 CarbonylContact O-C 3.38Å; T446-I620 WeakPolarHBondContact O-CA 3.49Å; T446-L621 PolarHBondContact O-N 3.16Å
447	G	93.1	Very high	93.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	14%	0.137	C	C	.	.			trans	169.3	157.8	-178.7	0	0	0	0	0	111.8	K453 P591 L621	G447-K453 WeakPolarHBondContact O-CD 3.38Å; G447-K453 PolarHBondContact O-NZ 3.48Å; G447-P591 WeakPolarHBondContact O-CD 3.25Å; G447-L621 WeakPolarHBondContact CA-O 3.38Å
448	P	89.5	Confident	93.7	Very high	39 Å²	39	20.5 Å²	20.5	25%	0.253	14%	0.136	S	C	.	.			trans	-56.5	156.4	-177.7	-22.5	33.5	0	0	0	112.5	G450 S451 K453 L600 L621	P448-G450 PolarHBondContact O-N 2.9Å; P448-S451 WeakPolarHBondContact O-CB 3.44Å; P448-S451 PolarHBondContact O-N 3.3Å; P448-S451 PolarHBondContact O-OG 3.31Å; P448-K453 PolarHBondContact O-NZ 2.78Å; P448-L600 HydrophobicContact CG-CD1 3.87Å; P448-L600 HydrophobicContact CG-CG 4.49Å; P448-L621 WeakPolarHBondContact CD-O 3.45Å
449	T	85.9	Confident	93.8	Very high	117 Å²	117	19.8 Å²	19.8	72%	0.718	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	134.5	173.3	-59	0	0	0	0	109.8	S451	T449-S451 VanDerWaalsContact C-N 3.29Å; T449-S451 PolarHBondContact O-N 2.89Å
450	G	84.6	Confident	93.9	Very high	66 Å²	66	16.7 Å²	16.7	68%	0.68	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	-4.6	-177.6	0	0	0	0	0	116.1	P448 G452	P448-G450 PolarHBondContact O-N 2.9Å; G450-G452 PolarHBondContact O-N 2.91Å; G450-G452 VanDerWaalsContact O-N 3.16Å
451	S	87.4	Confident	94	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-68.1	-12.3	-179.4	58.1	0	0	0	0	115.1	P448 T449 L621 E623 R633	P448-S451 WeakPolarHBondContact O-CB 3.44Å; P448-S451 PolarHBondContact O-N 3.3Å; P448-S451 PolarHBondContact O-OG 3.31Å; T449-S451 VanDerWaalsContact C-N 3.29Å; T449-S451 PolarHBondContact O-N 2.89Å; S451-L621 WeakPolarHBondContact O-CD2 3.33Å; S451-E623 WeakPolarHBondContact CA-OE2 3.47Å; S451-R633 PolarHBondContact O-NE 3.26Å
452	G	90.4	Very high	94	Very high	19 Å²	19	15.1 Å²	15.1	20%	0.196	11%	0.109	C	C	.	.			trans	96.4	26.3	-178.5	0	0	0	0	0	114.9	G450 T454 T455 F456	G450-G452 PolarHBondContact O-N 2.91Å; G450-G452 VanDerWaalsContact O-N 3.16Å; G452-T454 PolarHBondContact O-N 3.27Å; G452-T455 PolarHBondContact O-N 3.31Å; G452-F456 PolarHBondContact O-N 2.84Å
453	K	93.1	Very high	93.9	Very high	12 Å²	12	15.4 Å²	15.4	5%	0.052	11%	0.11	C	C	.	.	H	α-helix	trans	-50.3	-58.5	-179.8	-71.8	-171.6	-65.2	-68.5	0	113.6	F445 G447 P448 T455 F456 I457 I588 H590	F445-K453 HydrophobicContact CD1-CB 4.33Å; F445-K453 HydrophobicContact CD1-CG 4.42Å; F445-K453 HydrophobicContact CE1-CB 3.67Å; F445-K453 HydrophobicContact CE1-CD 4.44Å; F445-K453 HydrophobicContact CE1-CG 3.81Å; F445-K453 HydrophobicContact CZ-CG 4.41Å; G447-K453 WeakPolarHBondContact O-CD 3.38Å; G447-K453 PolarHBondContact O-NZ 3.48Å; P448-K453 PolarHBondContact O-NZ 2.78Å; K453-T455 VanDerWaalsContact C-N 3.29Å; K453-T455 PolarHBondContact O-N 2.92Å; K453-F456 PolarHBondContact O-N 2.89Å; K453-F456 VanDerWaalsContact O-N 3.14Å; K453-I457 PolarHBondContact O-N 2.88Å; K453-I588 HydrophobicContact CD-CG2 4.07Å; K453-H590 PolarHBondContact NZ-ND1 3.38Å
454	T	94.5	Very high	93.8	Very high	17 Å²	17	15 Å²	15	10%	0.104	11%	0.108	C	C	.	.	H	α-helix	trans	-60.1	-41.5	-178.7	-49.4	0	0	0	0	111.1	G452 F456 I457 S458 W473 I478 L483 D548	G452-T454 PolarHBondContact O-N 3.27Å; T454-F456 VanDerWaalsContact C-N 3.34Å; T454-F456 PolarHBondContact O-N 2.8Å; T454-I457 PolarHBondContact O-N 3.21Å; T454-S458 VanDerWaalsContact O-CB 3.24Å; T454-S458 WeakPolarHBondContact O-CB 3.24Å; T454-S458 PolarHBondContact O-N 2.81Å; T454-S458 PolarHBondContact O-OG 2.82Å; T454-W473 HydrophobicContact CG2-CZ2 4.15Å; T454-I478 HydrophobicContact CG2-CD1 3.84Å; T454-L483 HydrophobicContact CG2-CD1 4.16Å; T454-D548 VanDerWaalsContact CB-OD2 3.25Å; T454-D548 WeakPolarHBondContact CB-OD2 3.29Å; T454-D548 WeakPolarHBondContact CG2-OD2 3.3Å; T454-D548 PolarHBondContact OG1-OD2 2.76Å
455	T	94.9	Very high	93.6	Very high	29 Å²	29	15.1 Å²	15.1	18%	0.178	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-37.5	176.3	-47.4	0	0	0	0	112.7	G452 K453 S458 E459 I486 Q490 F653 L658 F660	G452-T455 PolarHBondContact O-N 3.31Å; K453-T455 VanDerWaalsContact C-N 3.29Å; K453-T455 PolarHBondContact O-N 2.92Å; T455-S458 WeakPolarHBondContact CA-OG 3.26Å; T455-S458 PolarHBondContact O-OG 2.74Å; T455-E459 PolarHBondContact O-N 3.34Å; T455-I486 HydrophobicContact CG2-CG2 4.4Å; T455-Q490 PolarHBondContact O-NE2 3.43Å; T455-F653 HydrophobicContact CG2-CE2 3.94Å; T455-F653 HydrophobicContact CG2-CZ 4.49Å; T455-L658 HydrophobicContact CG2-CB 4.38Å; T455-L658 WeakPolarHBondContact CG2-O 3.31Å; T455-F660 HydrophobicContact CG2-CE2 4.1Å
456	F	95.7	Very high	93.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.5	-47	177.8	177.7	-97	0	0	0	111.4	F427 F445 G452 K453 T454 S458 E459 L460 L635 L651 F660	F427-F456 HydrophobicContact CD1-CE2 4.31Å; F427-F456 HydrophobicContact CE1-CD2 4.5Å; F427-F456 AromaticContact CE1-CE2 3.65Å; F427-F456 HydrophobicContact CE1-CE2 3.65Å; F427-F456 HydrophobicContact CE1-CZ 4.31Å; F427-F456 HydrophobicContact CZ-CD2 4.47Å; F427-F456 AromaticContact CZ-CE2 3.87Å; F427-F456 HydrophobicContact CZ-CE2 3.87Å; F427-F456 HydrophobicContact CZ-CZ 4.46Å; F445-F456 HydrophobicContact CE1-CD1 4.28Å; F445-F456 HydrophobicContact CE2-CD1 4.02Å; F445-F456 HydrophobicContact CE2-CE1 4.32Å; F445-F456 HydrophobicContact CZ-CB 4.41Å; F445-F456 AromaticContact CZ-CD1 3.6Å; F445-F456 HydrophobicContact CZ-CD1 3.6Å; F445-F456 HydrophobicContact CZ-CE1 4.34Å; F445-F456 HydrophobicContact CZ-CG 4.31Å; G452-F456 PolarHBondContact O-N 2.84Å; K453-F456 PolarHBondContact O-N 2.89Å; K453-F456 VanDerWaalsContact O-N 3.14Å; T454-F456 VanDerWaalsContact C-N 3.34Å; T454-F456 PolarHBondContact O-N 2.8Å; F456-S458 VanDerWaalsContact C-N 3.28Å; F456-S458 PolarHBondContact O-N 2.88Å; F456-E459 PolarHBondContact O-N 2.87Å; F456-L460 WeakPolarHBondContact O-CB 3.31Å; F456-L460 PolarHBondContact O-N 2.81Å; F456-L635 HydrophobicContact CD1-CD1 4.49Å; F456-L635 HydrophobicContact CE1-CD1 3.88Å; F456-L635 HydrophobicContact CE1-CD2 4.04Å; F456-L635 HydrophobicContact CZ-CD1 4.06Å; F456-L635 HydrophobicContact CZ-CD2 3.63Å; F456-L635 HydrophobicContact CZ-CG 4.39Å; F456-L651 HydrophobicContact CD2-CD1 3.9Å; F456-L651 HydrophobicContact CE2-CD1 3.65Å; F456-L651 HydrophobicContact CE2-CD2 4.49Å; F456-L651 HydrophobicContact CZ-CD1 4.49Å; F456-F660 HydrophobicContact CB-CD2 4.11Å; F456-F660 HydrophobicContact CB-CE2 3.66Å; F456-F660 HydrophobicContact CB-CZ 4.11Å; F456-F660 HydrophobicContact CD2-CB 4.35Å; F456-F660 HydrophobicContact CD2-CD1 4.49Å; F456-F660 AromaticContact CD2-CD2 3.75Å; F456-F660 HydrophobicContact CD2-CD2 3.75Å; F456-F660 HydrophobicContact CD2-CE2 4.13Å; F456-F660 AromaticContact CD2-CG 3.95Å; F456-F660 HydrophobicContact CD2-CG 3.95Å; F456-F660 HydrophobicContact CG-CD2 4.44Å; F456-F660 HydrophobicContact CG-CE2 4.43Å
457	I	96.6	Very high	93.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-67.8	-31.5	179	-62.2	-62	0	0	0	111.3	F445 K453 T454 E459 L460 A461 W473 I546 T586 I588	F445-I457 HydrophobicContact CB-CD1 4.25Å; F445-I457 HydrophobicContact CD1-CD1 3.59Å; F445-I457 HydrophobicContact CD1-CG1 3.36Å; F445-I457 HydrophobicContact CD2-CD1 4.25Å; F445-I457 HydrophobicContact CE1-CD1 3.82Å; F445-I457 HydrophobicContact CE1-CG1 3.46Å; F445-I457 VanDerWaalsContact CE1-CG1 3.46Å; F445-I457 HydrophobicContact CE2-CD1 4.47Å; F445-I457 HydrophobicContact CG-CD1 3.78Å; F445-I457 HydrophobicContact CG-CG1 4.08Å; F445-I457 HydrophobicContact CZ-CD1 4.25Å; F445-I457 HydrophobicContact CZ-CG1 4.28Å; K453-I457 PolarHBondContact O-N 2.88Å; T454-I457 PolarHBondContact O-N 3.21Å; I457-E459 VanDerWaalsContact C-N 3.34Å; I457-L460 HydrophobicContact CD1-CD2 4.02Å; I457-L460 PolarHBondContact O-N 2.79Å; I457-A461 VanDerWaalsContact O-CB 3.26Å; I457-A461 WeakPolarHBondContact O-CB 3.4Å; I457-A461 PolarHBondContact O-N 2.95Å; I457-W473 HydrophobicContact CB-CH2 4.01Å; I457-W473 HydrophobicContact CG2-CH2 3.62Å; I457-W473 HydrophobicContact CG2-CZ3 3.97Å; I457-I546 HydrophobicContact CG2-CG1 4.08Å; I457-I546 HydrophobicContact CG2-CG2 3.75Å; I457-T586 HydrophobicContact CD1-CG2 4.19Å; I457-T586 HydrophobicContact CG2-CG2 4.32Å; I457-I588 HydrophobicContact CG1-CG1 4.47Å; I457-I588 HydrophobicContact CG2-CD1 4.44Å
458	S	96.4	Very high	93	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-41.9	176.5	70.7	0	0	0	0	111.2	T454 T455 F456 L462 Q490	T454-S458 VanDerWaalsContact O-CB 3.24Å; T454-S458 WeakPolarHBondContact O-CB 3.24Å; T454-S458 PolarHBondContact O-N 2.81Å; T454-S458 PolarHBondContact O-OG 2.82Å; T455-S458 WeakPolarHBondContact CA-OG 3.26Å; T455-S458 PolarHBondContact O-OG 2.74Å; F456-S458 VanDerWaalsContact C-N 3.28Å; F456-S458 PolarHBondContact O-N 2.88Å; S458-L462 WeakPolarHBondContact O-CB 3.39Å; S458-L462 PolarHBondContact O-N 3.41Å; S458-Q490 PolarHBondContact OG-NE2 3.27Å; S458-Q490 PolarHBondContact OG-OE1 3.41Å
459	E	95.8	Very high	93.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-42.1	174.3	-174.1	179.1	177.9	0	0	112.3	R426 F427 T455 F456 I457 L462 D463 T659 F660	R426-E459 IonicContact CZ-OE1 3.39Å; R426-E459 IonicContact NE-OE1 3.8Å; R426-E459 PolarHBondContact NE-OE1 2.78Å; R426-E459 IonicContact NH1-OE1 2.68Å; R426-E459 IonicContact NH2-OE1 3.26Å; R426-E459 PolarHBondContact NH2-OE1 3.49Å; F427-E459 HydrophobicContact CE2-CG 4.15Å; F427-E459 HydrophobicContact CZ-CG 3.99Å; T455-E459 PolarHBondContact O-N 3.34Å; F456-E459 PolarHBondContact O-N 2.87Å; I457-E459 VanDerWaalsContact C-N 3.34Å; E459-L462 PolarHBondContact O-N 2.86Å; E459-D463 PolarHBondContact O-N 3.48Å; E459-T659 WeakPolarHBondContact OE1-CB 3.46Å; E459-T659 VanDerWaalsContact OE2-CA 3.24Å; E459-T659 WeakPolarHBondContact OE2-CA 3.44Å; E459-F660 PolarHBondContact OE1-N 3.46Å; E459-F660 VanDerWaalsContact OE2-CD2 3.32Å; E459-F660 WeakPolarHBondContact OE2-CD2 3.41Å; E459-F660 PolarHBondContact OE2-N 3.25Å
460	L	95.9	Very high	93.5	Very high	8 Å²	8	18.3 Å²	18.3	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-44.3	177.8	-171.7	78	0	0	0	111.7	W424 F427 L430 F456 I457	W424-L460 VanDerWaalsContact CD1-CD1 3.47Å; W424-L460 HydrophobicContact CD2-CD1 4.17Å; W424-L460 HydrophobicContact CG-CD1 3.99Å; W424-L460 HydrophobicContact CZ2-CD1 4.45Å; W424-L460 VanDerWaalsContact NE1-CD1 3.27Å; F427-L460 HydrophobicContact CD2-CD1 3.71Å; F427-L460 HydrophobicContact CE2-CB 4.48Å; F427-L460 HydrophobicContact CE2-CD1 4.01Å; F427-L460 HydrophobicContact CG-CD1 4.43Å; L430-L460 HydrophobicContact CD2-CD1 3.63Å; F456-L460 WeakPolarHBondContact O-CB 3.31Å; F456-L460 PolarHBondContact O-N 2.81Å; I457-L460 HydrophobicContact CD1-CD2 4.02Å; I457-L460 PolarHBondContact O-N 2.79Å
461	A	96.3	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69	-41.8	177.4	0	0	0	0	0	111.3	I457 D463 L464 C465 T471 W473 I546	I457-A461 VanDerWaalsContact O-CB 3.26Å; I457-A461 WeakPolarHBondContact O-CB 3.4Å; I457-A461 PolarHBondContact O-N 2.95Å; A461-D463 VanDerWaalsContact C-N 3.33Å; A461-D463 PolarHBondContact O-N 3.48Å; A461-L464 WeakPolarHBondContact O-CA 3.39Å; A461-L464 WeakPolarHBondContact O-CB 3.35Å; A461-L464 PolarHBondContact O-N 3.12Å; A461-C465 PolarHBondContact O-N 2.81Å; A461-C465 PolarHBondContact O-SG 2.82Å; A461-C465 VanDerWaalsContact O-SG 3.39Å; A461-T471 HydrophobicContact CB-CG2 4.33Å; A461-W473 HydrophobicContact CB-CE3 4.26Å; A461-W473 HydrophobicContact CB-CZ3 3.79Å; A461-I546 HydrophobicContact CB-CD1 3.87Å; A461-I546 HydrophobicContact CB-CG1 4.43Å
462	L	96.1	Very high	94.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.3	-41.5	177.9	-178.7	65	0	0	0	112.1	S458 E459 L464 C465 M466 M487 Q490 F491 F510 L513	S458-L462 WeakPolarHBondContact O-CB 3.39Å; S458-L462 PolarHBondContact O-N 3.41Å; E459-L462 PolarHBondContact O-N 2.86Å; L462-L464 PolarHBondContact O-N 2.96Å; L462-C465 PolarHBondContact O-N 3.27Å; L462-M466 HydrophobicContact CD1-CG 4.49Å; L462-M466 HydrophobicContact CG-SD 4.24Å; L462-M466 VanDerWaalsContact O-CG 3.25Å; L462-M466 WeakPolarHBondContact O-CG 3.35Å; L462-M466 PolarHBondContact O-N 3.33Å; L462-M487 HydrophobicContact CB-CE 4.23Å; L462-M487 WeakPolarHBondContact CD2-O 3.4Å; L462-Q490 HydrophobicContact CD2-CB 3.88Å; L462-F491 HydrophobicContact CD1-CB 4.4Å; L462-F491 HydrophobicContact CD1-CD2 4.16Å; L462-F491 HydrophobicContact CD2-CB 3.81Å; L462-F491 HydrophobicContact CD2-CD2 4.48Å; L462-F510 HydrophobicContact CD1-CE2 3.93Å; L462-L513 HydrophobicContact CD1-CD1 3.61Å
463	D	95.8	Very high	94.9	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.032	8%	0.083	C	C	.	.	H	α-helix	trans	-58.8	-33.8	174.4	-178	92.4	0	0	0	112.6	W424 T425 R426 E459 A461 Q467	W424-D463 WeakPolarHBondContact CA-OD2 3.45Å; T425-D463 WeakPolarHBondContact CB-OD1 3.33Å; T425-D463 PolarHBondContact N-OD1 3.04Å; T425-D463 PolarHBondContact N-OD2 2.88Å; R426-D463 WeakPolarHBondContact CB-OD1 3.47Å; R426-D463 VanDerWaalsContact CG-OD1 3.22Å; R426-D463 WeakPolarHBondContact CG-OD1 3.22Å; R426-D463 PolarHBondContact N-OD1 3.36Å; E459-D463 PolarHBondContact O-N 3.48Å; A461-D463 VanDerWaalsContact C-N 3.33Å; A461-D463 PolarHBondContact O-N 3.48Å; D463-Q467 WeakPolarHBondContact O-CG 3.38Å; D463-Q467 PolarHBondContact O-NE2 3.05Å; D463-Q467 VanDerWaalsContact O-NE2 3.08Å; D463-Q467 PolarHBondContact OD2-NE2 2.84Å; D463-Q467 VanDerWaalsContact OD2-NE2 3.13Å
464	L	95.7	Very high	95	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-76.7	-41.7	174.4	-64.2	172	0	0	0	111.8	V422 H437 A461 L462 M466 Q467 G468 V469	V422-L464 HydrophobicContact CB-CD2 4.05Å; V422-L464 HydrophobicContact CG1-CD2 3.77Å; H437-L464 HydrophobicContact CB-CD1 4.07Å; H437-L464 HydrophobicContact CB-CD2 3.79Å; H437-L464 VanDerWaalsContact CD2-CD1 3.49Å; H437-L464 WeakPolarHBondContact CD2-CD1 3.49Å; A461-L464 WeakPolarHBondContact O-CA 3.39Å; A461-L464 WeakPolarHBondContact O-CB 3.35Å; A461-L464 PolarHBondContact O-N 3.12Å; L462-L464 PolarHBondContact O-N 2.96Å; L464-M466 VanDerWaalsContact C-N 3.31Å; L464-M466 PolarHBondContact O-N 3.45Å; L464-Q467 CarbonylContact O-C 3.55Å; L464-Q467 WeakPolarHBondContact O-CA 3.28Å; L464-Q467 WeakPolarHBondContact O-CB 3.12Å; L464-Q467 PolarHBondContact O-N 2.97Å; L464-G468 PolarHBondContact O-N 3.22Å; L464-V469 HydrophobicContact CB-CB 3.95Å; L464-V469 HydrophobicContact CB-CG1 4.44Å; L464-V469 HydrophobicContact CB-CG2 4.04Å; L464-V469 HydrophobicContact CD2-CG2 4.47Å; L464-V469 WeakPolarHBondContact O-CB 3.33Å; L464-V469 WeakPolarHBondContact O-CG2 3.18Å; L464-V469 PolarHBondContact O-N 2.74Å
465	C	94.1	Very high	94.9	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	8%	0.076	C	C	.	.	H	α-helix	trans	-57.9	-43.9	175.1	-69.7	0	0	0	0	111.7	A461 L462 Q467 G468 T471 L513	A461-C465 PolarHBondContact O-N 2.81Å; A461-C465 PolarHBondContact O-SG 2.82Å; A461-C465 VanDerWaalsContact O-SG 3.39Å; L462-C465 PolarHBondContact O-N 3.27Å; C465-Q467 PolarHBondContact O-N 2.85Å; C465-Q467 VanDerWaalsContact O-N 3.16Å; C465-G468 WeakPolarHBondContact O-CA 3.45Å; C465-G468 PolarHBondContact O-N 2.83Å; C465-T471 WeakPolarHBondContact SG-CB 3.48Å; C465-T471 PolarHBondContact SG-OG1 2.84Å; C465-T471 VanDerWaalsContact SG-OG1 3.34Å; C465-L513 HydrophobicContact CB-CB 4.49Å
466	M	92.6	Very high	94.8	Very high	99 Å²	99	11.9 Å²	11.9	49%	0.488	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.2	176.6	-70.4	173.8	69.2	0	0	112.9	L462 L464 F491 L513	L462-M466 HydrophobicContact CD1-CG 4.49Å; L462-M466 HydrophobicContact CG-SD 4.24Å; L462-M466 VanDerWaalsContact O-CG 3.25Å; L462-M466 WeakPolarHBondContact O-CG 3.35Å; L462-M466 PolarHBondContact O-N 3.33Å; L464-M466 VanDerWaalsContact C-N 3.31Å; L464-M466 PolarHBondContact O-N 3.45Å; M466-F491 HydrophobicContact CE-CD2 4.36Å; M466-F491 HydrophobicContact CE-CE2 4.11Å; M466-F491 HydrophobicContact CG-CD2 4.16Å; M466-F491 HydrophobicContact CG-CE2 3.94Å; M466-F491 HydrophobicContact SD-CD2 3.89Å; M466-F491 HydrophobicContact SD-CE2 4.05Å; M466-L513 HydrophobicContact CG-CD2 4.12Å
467	Q	92	Very high	94.4	Very high	72 Å²	72	15.7 Å²	15.7	34%	0.336	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	7.5	174.4	-64.8	179.9	73.7	0	0	113	V422 K423 D463 L464 C465	V422-Q467 HydrophobicContact CG1-CB 4.18Å; K423-Q467 PolarHBondContact O-NE2 3.36Å; K423-Q467 PolarHBondContact O-OE1 2.88Å; K423-Q467 VanDerWaalsContact O-OE1 3.13Å; D463-Q467 WeakPolarHBondContact O-CG 3.38Å; D463-Q467 PolarHBondContact O-NE2 3.05Å; D463-Q467 VanDerWaalsContact O-NE2 3.08Å; D463-Q467 PolarHBondContact OD2-NE2 2.84Å; D463-Q467 VanDerWaalsContact OD2-NE2 3.13Å; L464-Q467 CarbonylContact O-C 3.55Å; L464-Q467 WeakPolarHBondContact O-CA 3.28Å; L464-Q467 WeakPolarHBondContact O-CB 3.12Å; L464-Q467 PolarHBondContact O-N 2.97Å; C465-Q467 PolarHBondContact O-N 2.85Å; C465-Q467 VanDerWaalsContact O-N 3.16Å
468	G	89.7	Confident	94.1	Very high	35 Å²	35	17.5 Å²	17.5	36%	0.361	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	17.1	178.2	0	0	0	0	0	114.9	L464 C465 N470	L464-G468 PolarHBondContact O-N 3.22Å; C465-G468 WeakPolarHBondContact O-CA 3.45Å; C465-G468 PolarHBondContact O-N 2.83Å; G468-N470 PolarHBondContact O-N 2.88Å; G468-N470 PolarHBondContact O-OD1 2.95Å
469	V	92.7	Very high	93.8	Very high	12 Å²	12	21.2 Å²	21.2	7%	0.073	12%	0.115	C	C	.	.			trans	-79.9	111.1	174.1	-178	0	0	0	0	109.8	V422 L464 T471 N543 H544	V422-V469 HydrophobicContact CB-CG2 4.31Å; V422-V469 HydrophobicContact CG1-CG2 4.15Å; V422-V469 HydrophobicContact CG2-CG2 3.89Å; L464-V469 HydrophobicContact CB-CB 3.95Å; L464-V469 HydrophobicContact CB-CG1 4.44Å; L464-V469 HydrophobicContact CB-CG2 4.04Å; L464-V469 HydrophobicContact CD2-CG2 4.47Å; L464-V469 WeakPolarHBondContact O-CB 3.33Å; L464-V469 WeakPolarHBondContact O-CG2 3.18Å; L464-V469 PolarHBondContact O-N 2.74Å; V469-T471 PolarHBondContact O-N 3.2Å; V469-T471 VanDerWaalsContact O-N 3.14Å; V469-T471 PolarHBondContact O-OG1 2.86Å; V469-N543 HydrophobicContact CG1-CB 4.14Å; V469-H544 HydrophobicContact CG1-CB 3.94Å
470	N	93.4	Very high	93.8	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	12%	0.124	C	C	.	.			trans	-61.9	115.3	176.3	-54.8	21.6	0	0	0	110.5	S320 G468 P514 Y540 I542 N543 H544	S320-N470 PolarHBondContact O-ND2 3.34Å; G468-N470 PolarHBondContact O-N 2.88Å; G468-N470 PolarHBondContact O-OD1 2.95Å; N470-P514 WeakPolarHBondContact CA-O 3.29Å; N470-P514 HydrophobicContact CB-CB 4.35Å; N470-Y540 PolarHBondContact ND2-O 3.29Å; N470-I542 HydrophobicContact CB-CD1 4.24Å; N470-N543 PolarHBondContact O-N 2.68Å; N470-H544 PolarHBondContact O-N 3.37Å; N470-H544 VanDerWaalsContact O-N 3.1Å
471	T	96.5	Very high	93.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.2	-167.2	-59.9	0	0	0	0	111.1	A461 C465 V469 P514 L515 Y516 H544 I546	A461-T471 HydrophobicContact CB-CG2 4.33Å; C465-T471 WeakPolarHBondContact SG-CB 3.48Å; C465-T471 PolarHBondContact SG-OG1 2.84Å; C465-T471 VanDerWaalsContact SG-OG1 3.34Å; V469-T471 PolarHBondContact O-N 3.2Å; V469-T471 VanDerWaalsContact O-N 3.14Å; V469-T471 PolarHBondContact O-OG1 2.86Å; T471-P514 PolarHBondContact N-O 3.29Å; T471-L515 HydrophobicContact CG2-CD1 4.27Å; T471-Y516 PolarHBondContact O-N 2.94Å; T471-H544 CarbonylContact C-O 3.53Å; T471-H544 VanDerWaalsContact CA-O 3.29Å; T471-H544 WeakPolarHBondContact CA-O 3.38Å; T471-H544 HydrophobicContact CG2-CB 4.25Å; T471-I546 HydrophobicContact CG2-CD1 3.24Å
472	L	97.5	Very high	93.5	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.8	176	178.9	67.4	0	0	0	110.3	Y516 M518 A536 I542 H544 V545 I546	L472-Y516 CarbonylContact C-O 3.58Å; L472-Y516 WeakPolarHBondContact CA-O 3.4Å; L472-M518 HydrophobicContact CD1-CG 4.03Å; L472-M518 HydrophobicContact CD2-CE 3.39Å; L472-M518 HydrophobicContact CD2-CG 4.34Å; L472-M518 HydrophobicContact CG-CE 3.92Å; L472-M518 HydrophobicContact CG-CG 4.18Å; L472-A536 HydrophobicContact CD1-CB 4.44Å; L472-A536 HydrophobicContact CD2-CB 3.57Å; L472-I542 HydrophobicContact CB-CB 4.49Å; L472-I542 HydrophobicContact CB-CD1 4.08Å; L472-I542 HydrophobicContact CB-CG1 4.08Å; L472-I542 HydrophobicContact CB-CG2 3.64Å; L472-H544 PolarHBondContact N-O 3.5Å; L472-V545 HydrophobicContact CB-CG2 4.25Å; L472-V545 HydrophobicContact CD2-CG2 4.33Å; L472-V545 CarbonylContact O-C 3.19Å; L472-V545 WeakPolarHBondContact O-CA 3.2Å; L472-I546 PolarHBondContact O-N 3.37Å
473	W	96.8	Very high	93.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.1	179.2	-162.4	-67.5	0	0	0	111.8	T454 I457 A461 L483 Y516 F517 M518 I546 D548	T454-W473 HydrophobicContact CG2-CZ2 4.15Å; I457-W473 HydrophobicContact CB-CH2 4.01Å; I457-W473 HydrophobicContact CG2-CH2 3.62Å; I457-W473 HydrophobicContact CG2-CZ3 3.97Å; A461-W473 HydrophobicContact CB-CE3 4.26Å; A461-W473 HydrophobicContact CB-CZ3 3.79Å; W473-L483 HydrophobicContact CB-CD2 4.49Å; W473-L483 HydrophobicContact CD2-CD2 3.81Å; W473-L483 HydrophobicContact CG-CD2 3.61Å; W473-L483 HydrophobicContact CZ2-CD1 4.08Å; W473-L483 HydrophobicContact CZ2-CD2 4.37Å; W473-Y516 PolarHBondContact N-O 3.43Å; W473-F517 HydrophobicContact CB-CD1 3.91Å; W473-F517 HydrophobicContact CB-CE1 4.27Å; W473-F517 HydrophobicContact CG-CD1 4.47Å; W473-F517 WeakPolarHBondContact O-CA 3.21Å; W473-M518 PolarHBondContact O-N 3.22Å; W473-I546 HydrophobicContact CD2-CB 4Å; W473-I546 HydrophobicContact CD2-CG1 4.5Å; W473-I546 HydrophobicContact CD2-CG2 4.08Å; W473-I546 HydrophobicContact CE3-CB 3.9Å; W473-I546 HydrophobicContact CE3-CD1 3.73Å; W473-I546 HydrophobicContact CE3-CG1 3.89Å; W473-I546 HydrophobicContact CE3-CG2 4.13Å; W473-I546 HydrophobicContact CG-CB 4.48Å; W473-I546 HydrophobicContact CH2-CG2 3.94Å; W473-I546 HydrophobicContact CZ2-CG2 3.89Å; W473-I546 HydrophobicContact CZ3-CB 4.19Å; W473-I546 HydrophobicContact CZ3-CD1 4.11Å; W473-I546 HydrophobicContact CZ3-CG1 3.94Å; W473-I546 HydrophobicContact CZ3-CG2 4.04Å; W473-D548 HydrophobicContact CZ2-CB 4.45Å
474	G	95.8	Very high	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	94.8	168.3	0	0	0	0	0	110.9	F476 I546 D548	G474-F476 WeakPolarHBondContact O-CD2 3.11Å; G474-F476 WeakPolarHBondContact O-CE2 3.34Å; G474-I546 PolarHBondContact N-O 3.29Å; G474-D548 PolarHBondContact O-N 3.4Å
475	S	92.9	Very high	93.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.5	-179.3	-170.3	0	0	0	0	110.8	I478	S475-I478 WeakPolarHBondContact CB-O 3.48Å; S475-I478 PolarHBondContact OG-N 3.23Å; S475-I478 PolarHBondContact OG-O 2.83Å
476	F	91.4	Very high	93.4	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.226	C	C	.	.	S	Bend	trans	-87.9	-22.6	-179.4	-58.4	-88.9	0	0	0	112.5	G474 M518 F520 G522 Q524 V529 I547 D548 F552 M553	G474-F476 WeakPolarHBondContact O-CD2 3.11Å; G474-F476 WeakPolarHBondContact O-CE2 3.34Å; F476-M518 HydrophobicContact CZ-SD 4.29Å; F476-F520 HydrophobicContact CD1-CB 3.86Å; F476-F520 HydrophobicContact CE1-CB 3.43Å; F476-F520 VanDerWaalsContact CE1-CB 3.43Å; F476-F520 AromaticContact CE1-CD2 3.87Å; F476-F520 HydrophobicContact CE1-CD2 3.87Å; F476-F520 AromaticContact CE1-CG 3.87Å; F476-F520 HydrophobicContact CE1-CG 3.87Å; F476-F520 HydrophobicContact CZ-CB 4.18Å; F476-F520 HydrophobicContact CZ-CD2 4.03Å; F476-F520 HydrophobicContact CZ-CG 4.47Å; F476-G522 PolarHBondContact O-N 3.05Å; F476-Q524 HydrophobicContact CD1-CB 4.22Å; F476-Q524 HydrophobicContact CD1-CG 3.86Å; F476-Q524 HydrophobicContact CE1-CB 3.92Å; F476-Q524 HydrophobicContact CE1-CG 3.78Å; F476-V529 HydrophobicContact CE1-CG2 3.73Å; F476-V529 HydrophobicContact CZ-CB 4.48Å; F476-V529 HydrophobicContact CZ-CG1 3.96Å; F476-V529 HydrophobicContact CZ-CG2 3.69Å; F476-I547 HydrophobicContact CD2-CG2 4.39Å; F476-I547 HydrophobicContact CE2-CD1 4.27Å; F476-I547 HydrophobicContact CE2-CG2 4Å; F476-D548 PolarHBondContact N-O 3.03Å; F476-F552 HydrophobicContact CB-CB 3.56Å; F476-F552 HydrophobicContact CB-CD2 3.76Å; F476-F552 HydrophobicContact CB-CG 3.7Å; F476-F552 HydrophobicContact CG-CB 4.2Å; F476-M553 HydrophobicContact CD2-CE 4.4Å; F476-M553 HydrophobicContact CE1-CE 4.17Å; F476-M553 HydrophobicContact CE2-CE 3.6Å; F476-M553 HydrophobicContact CZ-CE 3.47Å; F476-M553 VanDerWaalsContact CZ-CE 3.47Å
477	E	87.9	Confident	93.6	Very high	80 Å²	80	39.5 Å²	39.5	37%	0.374	20%	0.203	S	C	.	.	S	Bend	trans	-90.4	-41.3	179.7	-166.2	169.7	153.8	0	0	113.2	D548 N549 F552 H590	E477-D548 PolarHBondContact N-O 3.18Å; E477-N549 PolarHBondContact OE2-ND2 3.06Å; E477-F552 HydrophobicContact CB-CD2 4.41Å; E477-F552 HydrophobicContact CB-CE2 3.58Å; E477-F552 HydrophobicContact CB-CZ 4.13Å; E477-F552 HydrophobicContact CG-CE2 3.88Å; E477-F552 HydrophobicContact CG-CZ 4.12Å; E477-H590 IonicContact OE2-NE2 2.85Å; E477-H590 PolarHBondContact OE2-NE2 2.98Å
478	I	89.7	Confident	93.8	Very high	41 Å²	41	36.9 Å²	36.9	21%	0.21	19%	0.191	C	C	.	.	S	Bend	trans	-115.3	136	-172.5	-59.5	-178.5	0	0	0	109.9	T454 S475 R482 L483	T454-I478 HydrophobicContact CG2-CD1 3.84Å; S475-I478 WeakPolarHBondContact CB-O 3.48Å; S475-I478 PolarHBondContact OG-N 3.23Å; S475-I478 PolarHBondContact OG-O 2.83Å; I478-R482 HydrophobicContact CG2-CB 3.79Å; I478-L483 HydrophobicContact CG2-CB 4.41Å
479	N	92.1	Very high	94.1	Very high	77 Å²	77	35.4 Å²	35.4	41%	0.412	18%	0.175	S	C	.	.			trans	-60.9	137.1	172.7	179.2	-60.3	0	0	0	111.8	V481 R482 L483	N479-V481 VanDerWaalsContact C-N 3.26Å; N479-V481 PolarHBondContact O-N 2.97Å; N479-V481 VanDerWaalsContact O-N 3.13Å; N479-V481 WeakPolarHBondContact OD1-CB 3.46Å; N479-V481 PolarHBondContact OD1-N 2.85Å; N479-R482 WeakPolarHBondContact O-CB 3.34Å; N479-R482 PolarHBondContact O-N 3.45Å; N479-L483 PolarHBondContact O-N 3.32Å; N479-L483 VanDerWaalsContact O-N 3.12Å
480	N	93.8	Very high	94.2	Very high	36 Å²	36	34.9 Å²	34.9	19%	0.193	17%	0.172	C	C	.	.	H	α-helix	trans	-50.5	-38	-178.6	-69.6	-13.5	0	0	0	114.4	R482 L483 A484 M518	N480-R482 VanDerWaalsContact C-N 3.31Å; N480-R482 PolarHBondContact O-N 2.96Å; N480-L483 PolarHBondContact O-N 3.43Å; N480-A484 VanDerWaalsContact O-CB 3.26Å; N480-A484 WeakPolarHBondContact O-CB 3.33Å; N480-A484 PolarHBondContact O-N 3.33Å; N480-M518 PolarHBondContact ND2-O 2.99Å
481	V	94.3	Very high	94.4	Very high	111 Å²	111	35.8 Å²	35.8	67%	0.673	18%	0.176	S	C	*	.	H	α-helix	trans	-62.2	-40.8	178.2	178.8	0	0	0	0	111.1	N479 K485	N479-V481 VanDerWaalsContact C-N 3.26Å; N479-V481 PolarHBondContact O-N 2.97Å; N479-V481 VanDerWaalsContact O-N 3.13Å; N479-V481 WeakPolarHBondContact OD1-CB 3.46Å; N479-V481 PolarHBondContact OD1-N 2.85Å; V481-K485 WeakPolarHBondContact O-CB 3.21Å; V481-K485 PolarHBondContact O-N 2.86Å
482	R	93.6	Very high	94.3	Very high	182 Å²	182	36.1 Å²	36.1	69%	0.687	18%	0.178	S	C	*	.	H	α-helix	trans	-71.5	-38.8	178.3	-66.1	-178.2	-179.6	173.2	0.8	111.5	I478 N479 N480 I486	I478-R482 HydrophobicContact CG2-CB 3.79Å; N479-R482 WeakPolarHBondContact O-CB 3.34Å; N479-R482 PolarHBondContact O-N 3.45Å; N480-R482 VanDerWaalsContact C-N 3.31Å; N480-R482 PolarHBondContact O-N 2.96Å; R482-I486 WeakPolarHBondContact O-CG1 3.37Å; R482-I486 PolarHBondContact O-N 2.71Å
483	L	94.6	Very high	94	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-49.3	175.9	176.4	64.4	0	0	0	111.4	T454 W473 I478 N479 N480 K485 I486 M487 F517	T454-L483 HydrophobicContact CG2-CD1 4.16Å; W473-L483 HydrophobicContact CB-CD2 4.49Å; W473-L483 HydrophobicContact CD2-CD2 3.81Å; W473-L483 HydrophobicContact CG-CD2 3.61Å; W473-L483 HydrophobicContact CZ2-CD1 4.08Å; W473-L483 HydrophobicContact CZ2-CD2 4.37Å; I478-L483 HydrophobicContact CG2-CB 4.41Å; N479-L483 PolarHBondContact O-N 3.32Å; N479-L483 VanDerWaalsContact O-N 3.12Å; N480-L483 PolarHBondContact O-N 3.43Å; L483-K485 VanDerWaalsContact C-N 3.28Å; L483-K485 PolarHBondContact O-N 2.8Å; L483-I486 WeakPolarHBondContact O-CB 3.45Å; L483-I486 PolarHBondContact O-N 2.86Å; L483-M487 HydrophobicContact CD1-CG 4.41Å; L483-M487 HydrophobicContact CD1-SD 4.33Å; L483-M487 HydrophobicContact CG-SD 4.17Å; L483-M487 WeakPolarHBondContact O-CG 3.38Å; L483-M487 PolarHBondContact O-N 3.22Å; L483-F517 HydrophobicContact CD2-CD1 4.03Å; L483-F517 HydrophobicContact CD2-CE1 3.79Å; L483-F517 HydrophobicContact CG-CE1 4.22Å
484	A	95.1	Very high	93.8	Very high	27 Å²	27	42.9 Å²	42.9	22%	0.223	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-40.8	177.3	0	0	0	0	0	111.2	N480 I486 M487 L488 F517	N480-A484 VanDerWaalsContact O-CB 3.26Å; N480-A484 WeakPolarHBondContact O-CB 3.33Å; N480-A484 PolarHBondContact O-N 3.33Å; A484-I486 VanDerWaalsContact C-N 3.34Å; A484-I486 PolarHBondContact O-N 3.35Å; A484-M487 PolarHBondContact O-N 2.81Å; A484-L488 VanDerWaalsContact O-CB 3.25Å; A484-L488 WeakPolarHBondContact O-CB 3.32Å; A484-L488 PolarHBondContact O-N 3.26Å; A484-F517 HydrophobicContact CB-CZ 4.29Å
485	K	94.9	Very high	93.5	Very high	108 Å²	108	47.3 Å²	47.3	47%	0.47	23%	0.228	S	C	.	.	H	α-helix	trans	-57.5	-43.6	172.8	-176.7	-177.8	177.9	-171.9	0	112.8	V481 L483 T489 E497	V481-K485 WeakPolarHBondContact O-CB 3.21Å; V481-K485 PolarHBondContact O-N 2.86Å; L483-K485 VanDerWaalsContact C-N 3.28Å; L483-K485 PolarHBondContact O-N 2.8Å; K485-T489 WeakPolarHBondContact O-CB 3.43Å; K485-T489 PolarHBondContact O-N 2.85Å; K485-T489 PolarHBondContact O-OG1 2.58Å; K485-E497 WeakPolarHBondContact CE-OE1 3.3Å; K485-E497 IonicContact NZ-OE1 3.46Å; K485-E497 PolarHBondContact NZ-OE1 3.31Å
486	I	94.9	Very high	93.3	Very high	35 Å²	35	47.8 Å²	47.8	18%	0.179	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-48.8	176.6	-66.6	163.7	0	0	0	110	T455 R482 L483 A484 L488 T489 Q490 L658	T455-I486 HydrophobicContact CG2-CG2 4.4Å; R482-I486 WeakPolarHBondContact O-CG1 3.37Å; R482-I486 PolarHBondContact O-N 2.71Å; L483-I486 WeakPolarHBondContact O-CB 3.45Å; L483-I486 PolarHBondContact O-N 2.86Å; A484-I486 VanDerWaalsContact C-N 3.34Å; A484-I486 PolarHBondContact O-N 3.35Å; I486-L488 PolarHBondContact O-N 2.89Å; I486-T489 WeakPolarHBondContact O-CB 3.26Å; I486-T489 PolarHBondContact O-N 2.71Å; I486-Q490 HydrophobicContact CG2-CG 4.48Å; I486-Q490 WeakPolarHBondContact O-CG 3.46Å; I486-Q490 PolarHBondContact O-N 3Å; I486-L658 HydrophobicContact CG1-CD1 4.4Å; I486-L658 HydrophobicContact CG2-CD1 4.31Å
487	M	96.6	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-41.3	-179.7	-67.6	-178	81.6	0	0	112.2	L462 L483 A484 T489 Q490 F491 F510 L515 F517	L462-M487 HydrophobicContact CB-CE 4.23Å; L462-M487 WeakPolarHBondContact CD2-O 3.4Å; L483-M487 HydrophobicContact CD1-CG 4.41Å; L483-M487 HydrophobicContact CD1-SD 4.33Å; L483-M487 HydrophobicContact CG-SD 4.17Å; L483-M487 WeakPolarHBondContact O-CG 3.38Å; L483-M487 PolarHBondContact O-N 3.22Å; A484-M487 PolarHBondContact O-N 2.81Å; M487-T489 VanDerWaalsContact C-N 3.35Å; M487-T489 PolarHBondContact O-N 3.27Å; M487-Q490 CarbonylContact O-C 3.47Å; M487-Q490 WeakPolarHBondContact O-CB 3.24Å; M487-Q490 PolarHBondContact O-N 3.07Å; M487-F491 WeakPolarHBondContact O-CB 3.24Å; M487-F491 PolarHBondContact O-N 2.96Å; M487-F510 HydrophobicContact CB-CE2 3.92Å; M487-F510 HydrophobicContact CB-CZ 3.74Å; M487-L515 HydrophobicContact CE-CD1 3.96Å; M487-L515 HydrophobicContact CE-CD2 3.48Å; M487-L515 VanDerWaalsContact CE-CD2 3.48Å; M487-L515 HydrophobicContact CE-CG 4.4Å; M487-L515 HydrophobicContact SD-CD2 3.89Å; M487-F517 HydrophobicContact SD-CE1 4.14Å; M487-F517 HydrophobicContact SD-CZ 4.26Å
488	L	96.1	Very high	93.1	Very high	17 Å²	17	55 Å²	55	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-40.5	176.5	-177	64.6	0	0	0	111.6	A484 I486 Q490 F491 A492 L496 Y503 W506 F510	A484-L488 VanDerWaalsContact O-CB 3.25Å; A484-L488 WeakPolarHBondContact O-CB 3.32Å; A484-L488 PolarHBondContact O-N 3.26Å; I486-L488 PolarHBondContact O-N 2.89Å; L488-Q490 VanDerWaalsContact C-N 3.34Å; L488-Q490 PolarHBondContact O-N 2.78Å; L488-F491 PolarHBondContact O-N 3.49Å; L488-A492 WeakPolarHBondContact O-CB 3.5Å; L488-A492 PolarHBondContact O-N 3.25Å; L488-L496 HydrophobicContact CD1-CD1 4.29Å; L488-L496 HydrophobicContact CD2-CD1 3.57Å; L488-L496 HydrophobicContact CG-CD1 3.57Å; L488-Y503 HydrophobicContact CD2-CD2 4.14Å; L488-Y503 HydrophobicContact CD2-CE2 3.84Å; L488-W506 HydrophobicContact CD1-CB 4.19Å; L488-F510 HydrophobicContact CD1-CB 3.66Å; L488-F510 HydrophobicContact CD1-CD1 4.46Å; L488-F510 HydrophobicContact CD1-CD2 4.04Å; L488-F510 HydrophobicContact CD1-CG 3.81Å
489	T	95.4	Very high	92.9	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-41.7	173.7	-55.1	0	0	0	0	111.2	K485 I486 M487 F491 M493 Q494 L658	K485-T489 WeakPolarHBondContact O-CB 3.43Å; K485-T489 PolarHBondContact O-N 2.85Å; K485-T489 PolarHBondContact O-OG1 2.58Å; I486-T489 WeakPolarHBondContact O-CB 3.26Å; I486-T489 PolarHBondContact O-N 2.71Å; M487-T489 VanDerWaalsContact C-N 3.35Å; M487-T489 PolarHBondContact O-N 3.27Å; T489-F491 VanDerWaalsContact C-N 3.34Å; T489-M493 PolarHBondContact O-N 3.46Å; T489-Q494 WeakPolarHBondContact CG2-O 3.25Å; T489-Q494 PolarHBondContact O-N 3.49Å; T489-L658 HydrophobicContact CG2-CD1 4.05Å; T489-L658 HydrophobicContact CG2-CG 4.12Å
490	Q	95.8	Very high	92.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-32.9	176.5	-70.7	173.9	-30.9	0	0	112.7	R426 T455 S458 L462 I486 M487 L488 L658 T659	R426-Q490 PolarHBondContact NH1-O 3.34Å; T455-Q490 PolarHBondContact O-NE2 3.43Å; S458-Q490 PolarHBondContact OG-NE2 3.27Å; S458-Q490 PolarHBondContact OG-OE1 3.41Å; L462-Q490 HydrophobicContact CD2-CB 3.88Å; I486-Q490 HydrophobicContact CG2-CG 4.48Å; I486-Q490 WeakPolarHBondContact O-CG 3.46Å; I486-Q490 PolarHBondContact O-N 3Å; M487-Q490 CarbonylContact O-C 3.47Å; M487-Q490 WeakPolarHBondContact O-CB 3.24Å; M487-Q490 PolarHBondContact O-N 3.07Å; L488-Q490 VanDerWaalsContact C-N 3.34Å; L488-Q490 PolarHBondContact O-N 2.78Å; Q490-L658 HydrophobicContact CG-CB 4.25Å; Q490-L658 WeakPolarHBondContact CG-O 2.75Å; Q490-L658 PolarHBondContact NE2-O 2.9Å; Q490-T659 HydrophobicContact CB-CG2 4.07Å; Q490-T659 HydrophobicContact CG-CG2 3.94Å
491	F	95.9	Very high	92.9	Very high	27 Å²	27	65.9 Å²	65.9	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-72.1	-49.7	177.7	-177.6	-115.2	0	0	0	111.6	L462 M466 M487 L488 T489 M493 W506 R509 F510 L513	L462-F491 HydrophobicContact CD1-CB 4.4Å; L462-F491 HydrophobicContact CD1-CD2 4.16Å; L462-F491 HydrophobicContact CD2-CB 3.81Å; L462-F491 HydrophobicContact CD2-CD2 4.48Å; M466-F491 HydrophobicContact CE-CD2 4.36Å; M466-F491 HydrophobicContact CE-CE2 4.11Å; M466-F491 HydrophobicContact CG-CD2 4.16Å; M466-F491 HydrophobicContact CG-CE2 3.94Å; M466-F491 HydrophobicContact SD-CD2 3.89Å; M466-F491 HydrophobicContact SD-CE2 4.05Å; M487-F491 WeakPolarHBondContact O-CB 3.24Å; M487-F491 PolarHBondContact O-N 2.96Å; L488-F491 PolarHBondContact O-N 3.49Å; T489-F491 VanDerWaalsContact C-N 3.34Å; F491-M493 PolarHBondContact O-N 3.2Å; F491-W506 HydrophobicContact CD1-CE3 4Å; F491-W506 HydrophobicContact CD1-CZ3 4.49Å; F491-W506 AromaticContact CE1-CE3 3.93Å; F491-W506 HydrophobicContact CE1-CE3 3.93Å; F491-W506 HydrophobicContact CE1-CZ3 4.31Å; F491-R509 HydrophobicContact CE1-CB 3.91Å; F491-R509 HydrophobicContact CZ-CB 4.2Å; F491-F510 HydrophobicContact CB-CD2 3.94Å; F491-F510 HydrophobicContact CB-CE2 4.29Å; F491-F510 HydrophobicContact CD1-CB 4.1Å; F491-F510 AromaticContact CD1-CD2 3.88Å; F491-F510 HydrophobicContact CD1-CD2 3.88Å; F491-F510 HydrophobicContact CE1-CB 4.17Å; F491-F510 AromaticContact CG-CD2 3.89Å; F491-F510 HydrophobicContact CG-CD2 3.89Å; F491-L513 HydrophobicContact CD2-CD1 4.09Å; F491-L513 HydrophobicContact CE2-CD1 3.95Å; F491-L513 HydrophobicContact CE2-CD2 4.37Å; F491-L513 HydrophobicContact CZ-CD1 4.37Å
492	A	94.6	Very high	92.8	Very high	7 Å²	7	64.3 Å²	64.3	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-70.8	-14.4	177	0	0	0	0	0	112.8	L488 Q494 L496 W506	L488-A492 WeakPolarHBondContact O-CB 3.5Å; L488-A492 PolarHBondContact O-N 3.25Å; A492-Q494 HydrophobicContact CB-CG 3.97Å; A492-Q494 PolarHBondContact O-N 3.25Å; A492-Q494 VanDerWaalsContact O-N 3.16Å; A492-L496 HydrophobicContact CB-CD1 4.4Å; A492-L496 HydrophobicContact CB-CD2 4.1Å; A492-L496 HydrophobicContact CB-CG 4.32Å; A492-W506 HydrophobicContact CB-CB 4.37Å; A492-W506 HydrophobicContact CB-CD2 3.67Å; A492-W506 HydrophobicContact CB-CE3 4.11Å; A492-W506 HydrophobicContact CB-CG 3.77Å; A492-W506 HydrophobicContact CB-CZ2 4.5Å
493	M	92.9	Very high	92.8	Very high	97 Å²	97	61 Å²	61	48%	0.478	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	22.4	-175	-60	-78.7	-163.9	0	0	113.8	R426 T489 F491 S657 T659	R426-M493 PolarHBondContact NH2-SD 2.79Å; R426-M493 VanDerWaalsContact NH2-SD 3.43Å; T489-M493 PolarHBondContact O-N 3.46Å; F491-M493 PolarHBondContact O-N 3.2Å; M493-S657 WeakPolarHBondContact O-CB 3.37Å; M493-T659 HydrophobicContact SD-CG2 4.12Å
494	Q	91.3	Very high	92.7	Very high	51 Å²	51	66 Å²	66	24%	0.238	32%	0.316	C	S	.	.	S	Bend	trans	-154.1	158.7	-177.3	67.4	-177.2	7.5	0	0	110.8	T489 A492 L496	T489-Q494 WeakPolarHBondContact CG2-O 3.25Å; T489-Q494 PolarHBondContact O-N 3.49Å; A492-Q494 HydrophobicContact CB-CG 3.97Å; A492-Q494 PolarHBondContact O-N 3.25Å; A492-Q494 VanDerWaalsContact O-N 3.16Å; Q494-L496 HydrophobicContact CG-CD2 4.16Å; Q494-L496 PolarHBondContact O-N 2.94Å
495	R	90	Very high	92.6	Very high	93 Å²	93	69.8 Å²	69.8	35%	0.351	33%	0.328	S	S	.	.			trans	-76.5	116.5	172.4	-64.8	-164.3	167.6	-175.7	-8.9	109.9	E497 E498 N499 K655 S656	R495-E497 VanDerWaalsContact C-N 3.31Å; R495-E497 WeakPolarHBondContact CB-OE2 3.4Å; R495-E498 HydrophobicContact CB-CG 4.33Å; R495-N499 PolarHBondContact O-ND2 3.38Å; R495-K655 PolarHBondContact NE-O 2.78Å; R495-K655 PolarHBondContact NH2-O 3.4Å; R495-S656 WeakPolarHBondContact CG-O 3.34Å; R495-S656 PolarHBondContact NE-O 2.97Å
496	L	88.8	Confident	92.6	Very high	9 Å²	9	67 Å²	67	5%	0.047	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-78.3	-18.9	177.6	-64.2	178.6	0	0	0	112.1	L488 A492 Q494 E498 N499 L500 Y503 W506	L488-L496 HydrophobicContact CD1-CD1 4.29Å; L488-L496 HydrophobicContact CD2-CD1 3.57Å; L488-L496 HydrophobicContact CG-CD1 3.57Å; A492-L496 HydrophobicContact CB-CD1 4.4Å; A492-L496 HydrophobicContact CB-CD2 4.1Å; A492-L496 HydrophobicContact CB-CG 4.32Å; Q494-L496 HydrophobicContact CG-CD2 4.16Å; Q494-L496 PolarHBondContact O-N 2.94Å; L496-E498 PolarHBondContact O-N 3.39Å; L496-N499 CarbonylContact O-C 3.5Å; L496-N499 PolarHBondContact O-N 3.01Å; L496-L500 WeakPolarHBondContact O-CD2 3.4Å; L496-L500 PolarHBondContact O-N 2.97Å; L496-L500 VanDerWaalsContact O-N 3.13Å; L496-Y503 HydrophobicContact CD1-CD2 4.46Å; L496-W506 HydrophobicContact CD1-CB 4.29Å; L496-W506 HydrophobicContact CD2-CG 4.34Å
497	E	88.3	Confident	92.5	Very high	92 Å²	92	66.4 Å²	66.4	43%	0.43	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.8	-26.7	173.7	-56.2	95.4	147.3	0	0	112.6	K485 R495	K485-E497 WeakPolarHBondContact CE-OE1 3.3Å; K485-E497 IonicContact NZ-OE1 3.46Å; K485-E497 PolarHBondContact NZ-OE1 3.31Å; R495-E497 VanDerWaalsContact C-N 3.31Å; R495-E497 WeakPolarHBondContact CB-OE2 3.4Å
498	E	86	Confident	92.1	Very high	140 Å²	140	70.6 Å²	70.6	65%	0.654	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-89.8	-13.9	177.8	-63.9	170.5	-162.5	0	0	111.9	R495 L496	R495-E498 HydrophobicContact CB-CG 4.33Å; L496-E498 PolarHBondContact O-N 3.39Å
499	N	87.2	Confident	91.9	Very high	65 Å²	65	75.6 Å²	75.6	35%	0.348	35%	0.354	S	S	.	.			trans	-141.4	56.4	-174.1	-60.8	-75.3	0	0	0	111.5	R495 L496 E501 Q502	R495-N499 PolarHBondContact O-ND2 3.38Å; L496-N499 CarbonylContact O-C 3.5Å; L496-N499 PolarHBondContact O-N 3.01Å; N499-E501 PolarHBondContact O-N 3.06Å; N499-E501 VanDerWaalsContact O-N 3.16Å; N499-Q502 PolarHBondContact O-N 3.45Å; N499-Q502 VanDerWaalsContact O-N 3.07Å
500	L	91.8	Very high	91.7	Very high	122 Å²	122	76.7 Å²	76.7	64%	0.639	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-61.5	-24.2	-175	-72.4	174.9	0	0	0	113.7	L496 Q502 Y503	L496-L500 WeakPolarHBondContact O-CD2 3.4Å; L496-L500 PolarHBondContact O-N 2.97Å; L496-L500 VanDerWaalsContact O-N 3.13Å; L500-Q502 PolarHBondContact O-N 3.13Å; L500-Y503 WeakPolarHBondContact O-CB 3.44Å; L500-Y503 PolarHBondContact O-N 3.03Å
501	E	93.4	Very high	91.5	Very high	197 Å²	197	82.6 Å²	82.6	92%	0.921	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-60.1	-24.4	175.5	-61.5	174.5	-172.3	0	0	113	N499	N499-E501 PolarHBondContact O-N 3.06Å; N499-E501 VanDerWaalsContact O-N 3.16Å
502	Q	91.8	Very high	91	Very high	77 Å²	77	88.7 Å²	88.7	36%	0.36	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-93.8	1	177.2	-60.3	-179.2	34.6	0	0	112.9	N499 L500 F505 W506	N499-Q502 PolarHBondContact O-N 3.45Å; N499-Q502 VanDerWaalsContact O-N 3.07Å; L500-Q502 PolarHBondContact O-N 3.13Å; Q502-F505 PolarHBondContact O-N 3.16Å; Q502-W506 PolarHBondContact O-N 3.15Å; Q502-W506 VanDerWaalsContact O-N 3.13Å
503	Y	93.1	Very high	90.8	Very high	112 Å²	112	89.6 Å²	89.6	44%	0.439	42%	0.419	S	S	.	.	H	α-helix	trans	-58.3	-53.7	-175.1	170.4	-101.6	0	0	0	111.4	L488 L496 L500 F505 W506 A507	L488-Y503 HydrophobicContact CD2-CD2 4.14Å; L488-Y503 HydrophobicContact CD2-CE2 3.84Å; L496-Y503 HydrophobicContact CD1-CD2 4.46Å; L500-Y503 WeakPolarHBondContact O-CB 3.44Å; L500-Y503 PolarHBondContact O-N 3.03Å; Y503-F505 VanDerWaalsContact C-N 3.33Å; Y503-F505 PolarHBondContact O-N 2.75Å; Y503-W506 PolarHBondContact O-N 2.86Å; Y503-W506 VanDerWaalsContact O-N 3.15Å; Y503-A507 HydrophobicContact CE1-CB 4.23Å; Y503-A507 HydrophobicContact CE2-CB 4.3Å; Y503-A507 VanDerWaalsContact O-CB 3.22Å; Y503-A507 WeakPolarHBondContact O-CB 3.47Å; Y503-A507 PolarHBondContact O-N 3.07Å
504	D	92.1	Very high	90.7	Very high	105 Å²	105	86.2 Å²	86.2	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-59.8	-44.8	-176.5	-61.7	-35.4	0	0	0	110.9	W506 A507 D508	D504-W506 PolarHBondContact O-N 3.21Å; D504-A507 PolarHBondContact O-N 3.04Å; D504-D508 WeakPolarHBondContact O-CB 3.33Å; D504-D508 PolarHBondContact O-N 3.21Å
505	F	93.1	Very high	90.8	Very high	108 Å²	108	84.7 Å²	84.7	47%	0.474	40%	0.398	S	S	.	.	H	α-helix	trans	-56.2	-44.7	176.2	173.5	-96.8	0	0	0	113.4	Q502 Y503 R509	Q502-F505 PolarHBondContact O-N 3.16Å; Y503-F505 VanDerWaalsContact C-N 3.33Å; Y503-F505 PolarHBondContact O-N 2.75Å; F505-R509 WeakPolarHBondContact O-CG 3.44Å
506	W	94.6	Very high	91.1	Very high	49 Å²	49	83.4 Å²	83.4	19%	0.186	39%	0.393	C	S	.	.	H	α-helix	trans	-78.2	-32.2	179.1	-73.2	111.7	0	0	0	112.5	L488 F491 A492 L496 Q502 Y503 D504 F510	L488-W506 HydrophobicContact CD1-CB 4.19Å; F491-W506 HydrophobicContact CD1-CE3 4Å; F491-W506 HydrophobicContact CD1-CZ3 4.49Å; F491-W506 AromaticContact CE1-CE3 3.93Å; F491-W506 HydrophobicContact CE1-CE3 3.93Å; F491-W506 HydrophobicContact CE1-CZ3 4.31Å; A492-W506 HydrophobicContact CB-CB 4.37Å; A492-W506 HydrophobicContact CB-CD2 3.67Å; A492-W506 HydrophobicContact CB-CE3 4.11Å; A492-W506 HydrophobicContact CB-CG 3.77Å; A492-W506 HydrophobicContact CB-CZ2 4.5Å; L496-W506 HydrophobicContact CD1-CB 4.29Å; L496-W506 HydrophobicContact CD2-CG 4.34Å; Q502-W506 PolarHBondContact O-N 3.15Å; Q502-W506 VanDerWaalsContact O-N 3.13Å; Y503-W506 PolarHBondContact O-N 2.86Å; Y503-W506 VanDerWaalsContact O-N 3.15Å; D504-W506 PolarHBondContact O-N 3.21Å; W506-F510 VanDerWaalsContact O-CB 3.22Å; W506-F510 WeakPolarHBondContact O-CB 3.25Å; W506-F510 PolarHBondContact O-N 3.5Å
507	A	92.9	Very high	91.4	Very high	22 Å²	22	86 Å²	86	18%	0.182	40%	0.404	C	S	.	.	H	α-helix	trans	-65.2	-47.1	177.2	0	0	0	0	0	110.8	Y503 D504 R509 F510 E511	Y503-A507 HydrophobicContact CE1-CB 4.23Å; Y503-A507 HydrophobicContact CE2-CB 4.3Å; Y503-A507 VanDerWaalsContact O-CB 3.22Å; Y503-A507 WeakPolarHBondContact O-CB 3.47Å; Y503-A507 PolarHBondContact O-N 3.07Å; D504-A507 PolarHBondContact O-N 3.04Å; A507-R509 VanDerWaalsContact C-N 3.32Å; A507-R509 PolarHBondContact O-N 3.31Å; A507-F510 CarbonylContact O-C 3.58Å; A507-F510 WeakPolarHBondContact O-CB 3.32Å; A507-F510 PolarHBondContact O-N 3.41Å; A507-E511 PolarHBondContact O-N 2.84Å
508	D	89.8	Confident	91.6	Very high	88 Å²	88	81.8 Å²	81.8	47%	0.471	39%	0.385	S	S	.	.	H	α-helix	trans	-56.4	-46.3	177.1	-68.6	-17.5	0	0	0	111.1	D504 F510 E511 E512	D504-D508 WeakPolarHBondContact O-CB 3.33Å; D504-D508 PolarHBondContact O-N 3.21Å; D508-F510 VanDerWaalsContact C-N 3.33Å; D508-F510 PolarHBondContact O-N 2.91Å; D508-E511 WeakPolarHBondContact O-CB 2.97Å; D508-E511 PolarHBondContact O-N 3.32Å; D508-E512 PolarHBondContact O-N 3.47Å
509	R	90.4	Very high	91.8	Very high	122 Å²	122	79.3 Å²	79.3	46%	0.46	38%	0.379	S	S	.	.	H	α-helix	trans	-71.2	-28.6	178.1	-62.3	-171.8	94.3	171.9	12.3	113.3	F491 F505 A507	F491-R509 HydrophobicContact CE1-CB 3.91Å; F491-R509 HydrophobicContact CZ-CB 4.2Å; F505-R509 WeakPolarHBondContact O-CG 3.44Å; A507-R509 VanDerWaalsContact C-N 3.32Å; A507-R509 PolarHBondContact O-N 3.31Å
510	F	92.6	Very high	91.6	Very high	27 Å²	27	77.8 Å²	77.8	12%	0.118	37%	0.37	C	S	.	.	H	α-helix	trans	-74	-33.7	176	-173.1	-95.5	0	0	0	111	L462 M487 L488 F491 W506 A507 D508 E512 L513 L515	L462-F510 HydrophobicContact CD1-CE2 3.93Å; M487-F510 HydrophobicContact CB-CE2 3.92Å; M487-F510 HydrophobicContact CB-CZ 3.74Å; L488-F510 HydrophobicContact CD1-CB 3.66Å; L488-F510 HydrophobicContact CD1-CD1 4.46Å; L488-F510 HydrophobicContact CD1-CD2 4.04Å; L488-F510 HydrophobicContact CD1-CG 3.81Å; F491-F510 HydrophobicContact CB-CD2 3.94Å; F491-F510 HydrophobicContact CB-CE2 4.29Å; F491-F510 HydrophobicContact CD1-CB 4.1Å; F491-F510 AromaticContact CD1-CD2 3.88Å; F491-F510 HydrophobicContact CD1-CD2 3.88Å; F491-F510 HydrophobicContact CE1-CB 4.17Å; F491-F510 AromaticContact CG-CD2 3.89Å; F491-F510 HydrophobicContact CG-CD2 3.89Å; W506-F510 VanDerWaalsContact O-CB 3.22Å; W506-F510 WeakPolarHBondContact O-CB 3.25Å; W506-F510 PolarHBondContact O-N 3.5Å; A507-F510 CarbonylContact O-C 3.58Å; A507-F510 WeakPolarHBondContact O-CB 3.32Å; A507-F510 PolarHBondContact O-N 3.41Å; D508-F510 VanDerWaalsContact C-N 3.33Å; D508-F510 PolarHBondContact O-N 2.91Å; F510-E512 VanDerWaalsContact C-N 3.26Å; F510-E512 PolarHBondContact O-N 3.37Å; F510-L513 HydrophobicContact CD2-CD1 3.75Å; F510-L513 HydrophobicContact CE2-CD1 4.04Å; F510-L513 HydrophobicContact CG-CD1 4.38Å; F510-L513 WeakPolarHBondContact O-CB 3.41Å; F510-L513 WeakPolarHBondContact O-CG 3.22Å; F510-L513 PolarHBondContact O-N 3.16Å; F510-L513 VanDerWaalsContact O-N 3.17Å; F510-L515 HydrophobicContact CE1-CD2 4.11Å; F510-L515 HydrophobicContact CE2-CD2 4.38Å; F510-L515 HydrophobicContact CZ-CD2 3.59Å
511	E	90.3	Very high	91.2	Very high	125 Å²	125	77.4 Å²	77.4	58%	0.584	36%	0.364	S	S	*	.	H	α-helix	trans	-63.8	-30	174.6	-172.1	177.6	-161.6	0	0	112.5	A507 D508 L513	A507-E511 PolarHBondContact O-N 2.84Å; D508-E511 WeakPolarHBondContact O-CB 2.97Å; D508-E511 PolarHBondContact O-N 3.32Å; E511-L513 PolarHBondContact O-N 2.96Å
512	E	85.5	Confident	90.8	Very high	154 Å²	154	68.8 Å²	68.8	72%	0.72	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.2	174.6	-66.4	176.7	174.1	0	0	113.7	D508 F510	D508-E512 PolarHBondContact O-N 3.47Å; F510-E512 VanDerWaalsContact C-N 3.26Å; F510-E512 PolarHBondContact O-N 3.37Å
513	L	90.6	Very high	90.5	Very high	26 Å²	26	70.2 Å²	70.2	14%	0.136	34%	0.335	C	S	.	.	S	Bend	trans	-72.2	141.9	-177.6	-61.6	176.8	0	0	0	111.1	L462 C465 M466 F491 F510 E511 L515	L462-L513 HydrophobicContact CD1-CD1 3.61Å; C465-L513 HydrophobicContact CB-CB 4.49Å; M466-L513 HydrophobicContact CG-CD2 4.12Å; F491-L513 HydrophobicContact CD2-CD1 4.09Å; F491-L513 HydrophobicContact CE2-CD1 3.95Å; F491-L513 HydrophobicContact CE2-CD2 4.37Å; F491-L513 HydrophobicContact CZ-CD1 4.37Å; F510-L513 HydrophobicContact CD2-CD1 3.75Å; F510-L513 HydrophobicContact CE2-CD1 4.04Å; F510-L513 HydrophobicContact CG-CD1 4.38Å; F510-L513 WeakPolarHBondContact O-CB 3.41Å; F510-L513 WeakPolarHBondContact O-CG 3.22Å; F510-L513 PolarHBondContact O-N 3.16Å; F510-L513 VanDerWaalsContact O-N 3.17Å; E511-L513 PolarHBondContact O-N 2.96Å; L513-L515 HydrophobicContact CB-CB 4.4Å; L513-L515 PolarHBondContact O-N 3.47Å
514	P	91.3	Very high	90.2	Very high	26 Å²	26	67.2 Å²	67.2	17%	0.169	33%	0.325	C	S	.	.			trans	-78.9	58.7	177.6	36.1	-38.2	0	0	0	111	N470 T471	N470-P514 WeakPolarHBondContact CA-O 3.29Å; N470-P514 HydrophobicContact CB-CB 4.35Å; T471-P514 PolarHBondContact N-O 3.29Å
515	L	94	Very high	89.9	Confident	20 Å²	20	65.4 Å²	65.4	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.5	-176.1	177.8	64.1	0	0	0	110.2	T471 M487 F510 L513 F517	T471-L515 HydrophobicContact CG2-CD1 4.27Å; M487-L515 HydrophobicContact CE-CD1 3.96Å; M487-L515 HydrophobicContact CE-CD2 3.48Å; M487-L515 VanDerWaalsContact CE-CD2 3.48Å; M487-L515 HydrophobicContact CE-CG 4.4Å; M487-L515 HydrophobicContact SD-CD2 3.89Å; F510-L515 HydrophobicContact CE1-CD2 4.11Å; F510-L515 HydrophobicContact CE2-CD2 4.38Å; F510-L515 HydrophobicContact CZ-CD2 3.59Å; L513-L515 HydrophobicContact CB-CB 4.4Å; L513-L515 PolarHBondContact O-N 3.47Å; L515-F517 HydrophobicContact CD1-CZ 4.47Å; L515-F517 HydrophobicContact CD2-CE1 4.42Å; L515-F517 HydrophobicContact CD2-CE2 4.1Å; L515-F517 HydrophobicContact CD2-CZ 3.61Å; L515-F517 HydrophobicContact CG-CE1 4.5Å; L515-F517 HydrophobicContact CG-CE2 4.05Å; L515-F517 HydrophobicContact CG-CZ 3.85Å
516	Y	95	Very high	89.7	Confident	66 Å²	66	60.8 Å²	60.8	26%	0.259	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.4	-176.9	-56.2	-87.6	0	0	0	110.3	T471 L472 W473 Y540 I542	T471-Y516 PolarHBondContact O-N 2.94Å; L472-Y516 CarbonylContact C-O 3.58Å; L472-Y516 WeakPolarHBondContact CA-O 3.4Å; W473-Y516 PolarHBondContact N-O 3.43Å; Y516-Y540 HydrophobicContact CD1-CD1 4.41Å; Y516-Y540 HydrophobicContact CD1-CD2 4.24Å; Y516-Y540 HydrophobicContact CD1-CE2 4.39Å; Y516-Y540 HydrophobicContact CD1-CG 4.25Å; Y516-Y540 AromaticContact CE1-CD1 3.69Å; Y516-Y540 HydrophobicContact CE1-CD1 3.69Å; Y516-Y540 HydrophobicContact CE1-CD2 4.31Å; Y516-Y540 AromaticContact CE1-CE1 3.98Å; Y516-Y540 HydrophobicContact CE1-CE1 3.98Å; Y516-Y540 AromaticContact CE1-CG 3.88Å; Y516-Y540 HydrophobicContact CE1-CG 3.88Å; Y516-Y540 HydrophobicContact CE2-CG 4.35Å; Y516-Y540 AromaticContact CZ-CD1 3.86Å; Y516-Y540 AromaticContact CZ-CG 3.93Å; Y516-I542 HydrophobicContact CD2-CD1 3.37Å; Y516-I542 HydrophobicContact CE2-CD1 3.84Å; Y516-I542 HydrophobicContact CG-CD1 4.17Å
517	F	95.1	Very high	89.5	Confident	63 Å²	63	65 Å²	65	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.3	179.8	-57.6	-86.7	0	0	0	110.7	W473 L483 A484 M487 L515	W473-F517 HydrophobicContact CB-CD1 3.91Å; W473-F517 HydrophobicContact CB-CE1 4.27Å; W473-F517 HydrophobicContact CG-CD1 4.47Å; W473-F517 WeakPolarHBondContact O-CA 3.21Å; L483-F517 HydrophobicContact CD2-CD1 4.03Å; L483-F517 HydrophobicContact CD2-CE1 3.79Å; L483-F517 HydrophobicContact CG-CE1 4.22Å; A484-F517 HydrophobicContact CB-CZ 4.29Å; M487-F517 HydrophobicContact SD-CE1 4.14Å; M487-F517 HydrophobicContact SD-CZ 4.26Å; L515-F517 HydrophobicContact CD1-CZ 4.47Å; L515-F517 HydrophobicContact CD2-CE1 4.42Å; L515-F517 HydrophobicContact CD2-CE2 4.1Å; L515-F517 HydrophobicContact CD2-CZ 3.61Å; L515-F517 HydrophobicContact CG-CE1 4.5Å; L515-F517 HydrophobicContact CG-CE2 4.05Å; L515-F517 HydrophobicContact CG-CZ 3.85Å
518	M	93.6	Very high	89.3	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.015	32%	0.321	C	S	.	.			trans	-72.5	144	164.7	-58.8	-179.9	-180	0	0	109.3	L472 W473 F476 N480 F520 V529 T532 M533 V545 I547	L472-M518 HydrophobicContact CD1-CG 4.03Å; L472-M518 HydrophobicContact CD2-CE 3.39Å; L472-M518 HydrophobicContact CD2-CG 4.34Å; L472-M518 HydrophobicContact CG-CE 3.92Å; L472-M518 HydrophobicContact CG-CG 4.18Å; W473-M518 PolarHBondContact O-N 3.22Å; F476-M518 HydrophobicContact CZ-SD 4.29Å; N480-M518 PolarHBondContact ND2-O 2.99Å; M518-F520 HydrophobicContact CB-CD2 3.81Å; M518-F520 HydrophobicContact CB-CE2 4.43Å; M518-F520 HydrophobicContact CG-CD2 4.33Å; M518-F520 PolarHBondContact O-N 2.75Å; M518-F520 HydrophobicContact SD-CD2 3.81Å; M518-F520 HydrophobicContact SD-CE2 4.1Å; M518-V529 HydrophobicContact CE-CG1 4.19Å; M518-V529 HydrophobicContact SD-CG1 4.06Å; M518-T532 HydrophobicContact CG-CG2 4.21Å; M518-M533 HydrophobicContact CE-CB 4.47Å; M518-M533 HydrophobicContact CE-CG 3.26Å; M518-M533 HydrophobicContact CE-SD 4.22Å; M518-V545 HydrophobicContact CE-CG1 4.4Å; M518-I547 HydrophobicContact CE-CD1 4.22Å
519	T	88.8	Confident	89.3	Confident	89 Å²	89	61.6 Å²	61.6	55%	0.546	30%	0.299	S	S	.	.			trans	-84.6	6.3	179	53.2	0	0	0	0	113.4
520	F	84.9	Confident	89.5	Confident	32 Å²	32	56.6 Å²	56.6	14%	0.14	28%	0.281	C	S	.	.			trans	-68.4	140.3	178	-66.3	-47.4	0	0	0	112.2	F476 M518 Q524 A528 V529 T532	F476-F520 HydrophobicContact CD1-CB 3.86Å; F476-F520 HydrophobicContact CE1-CB 3.43Å; F476-F520 VanDerWaalsContact CE1-CB 3.43Å; F476-F520 AromaticContact CE1-CD2 3.87Å; F476-F520 HydrophobicContact CE1-CD2 3.87Å; F476-F520 AromaticContact CE1-CG 3.87Å; F476-F520 HydrophobicContact CE1-CG 3.87Å; F476-F520 HydrophobicContact CZ-CB 4.18Å; F476-F520 HydrophobicContact CZ-CD2 4.03Å; F476-F520 HydrophobicContact CZ-CG 4.47Å; M518-F520 HydrophobicContact CB-CD2 3.81Å; M518-F520 HydrophobicContact CB-CE2 4.43Å; M518-F520 HydrophobicContact CG-CD2 4.33Å; M518-F520 PolarHBondContact O-N 2.75Å; M518-F520 HydrophobicContact SD-CD2 3.81Å; M518-F520 HydrophobicContact SD-CE2 4.1Å; F520-Q524 HydrophobicContact CB-CG 3.88Å; F520-Q524 HydrophobicContact CD1-CG 3.86Å; F520-Q524 HydrophobicContact CG-CG 3.96Å; F520-A528 HydrophobicContact CZ-CB 4.43Å; F520-V529 HydrophobicContact CD2-CG2 3.96Å; F520-V529 HydrophobicContact CE2-CB 4.34Å; F520-V529 HydrophobicContact CE2-CG2 3.86Å; F520-V529 HydrophobicContact CZ-CG2 4.44Å; F520-T532 HydrophobicContact CE2-CG2 4.05Å; F520-T532 WeakPolarHBondContact CE2-OG1 3.36Å; F520-T532 VanDerWaalsContact CZ-OG1 3.29Å; F520-T532 WeakPolarHBondContact CZ-OG1 3.46Å
521	H	82.3	Confident	89.3	Confident	115 Å²	115	57.7 Å²	57.7	53%	0.532	29%	0.288	S	S	.	.			trans	-143.3	140.7	171	-179.2	-86.3	0	0	0	109.4	Q524	H521-Q524 PolarHBondContact O-NE2 2.95Å
522	G	85.2	Confident	89.4	Confident	16 Å²	16	52.7 Å²	52.7	17%	0.165	27%	0.266	C	S	.	.	S	Bend	trans	70.3	-153.1	-177.4	0	0	0	0	0	113.2	F476	F476-G522 PolarHBondContact O-N 3.05Å
523	Q	84.7	Confident	89.8	Confident	106 Å²	106	45.3 Å²	45.3	50%	0.495	23%	0.232	S	C	.	.	S	Bend	trans	-72.4	132.4	-174.7	-69.7	-176.3	-11.6	0	0	112.2	F552 Q556	Q523-F552 VanDerWaalsContact CA-O 3.23Å; Q523-F552 WeakPolarHBondContact CA-O 3.47Å; Q523-F552 HydrophobicContact CG-CD1 4.45Å; Q523-Q556 HydrophobicContact CB-CG 4.24Å
524	Q	86.9	Confident	89.8	Confident	49 Å²	49	49.2 Å²	49.2	23%	0.229	25%	0.249	C	C	.	.			trans	-137.5	151.2	-177.9	-64.7	-60.6	-29.3	0	0	111.8	F476 F520 H521 V529 F552 M553	F476-Q524 HydrophobicContact CD1-CB 4.22Å; F476-Q524 HydrophobicContact CD1-CG 3.86Å; F476-Q524 HydrophobicContact CE1-CB 3.92Å; F476-Q524 HydrophobicContact CE1-CG 3.78Å; F520-Q524 HydrophobicContact CB-CG 3.88Å; F520-Q524 HydrophobicContact CD1-CG 3.86Å; F520-Q524 HydrophobicContact CG-CG 3.96Å; H521-Q524 PolarHBondContact O-NE2 2.95Å; Q524-V529 HydrophobicContact CB-CG2 4.04Å; Q524-F552 PolarHBondContact N-O 2.68Å; Q524-M553 WeakPolarHBondContact O-CA 3.39Å
525	N	87.2	Confident	89.7	Confident	67 Å²	67	50.3 Å²	50.3	36%	0.358	25%	0.252	S	S	.	.			trans	-73.3	133.8	174.2	-172.1	-59.7	0	0	0	110.3	K527 A528 V529	N525-K527 VanDerWaalsContact C-N 3.26Å; N525-K527 PolarHBondContact O-N 3.34Å; N525-K527 VanDerWaalsContact OD1-CB 3.24Å; N525-K527 WeakPolarHBondContact OD1-CB 3.49Å; N525-K527 PolarHBondContact OD1-N 2.85Å; N525-A528 HydrophobicContact CB-CB 4.46Å; N525-A528 PolarHBondContact O-N 2.9Å; N525-V529 PolarHBondContact O-N 3.27Å
526	I	88.8	Confident	89.6	Confident	12 Å²	12	49.7 Å²	49.7	6%	0.062	25%	0.25	C	C	.	.	H	α-helix	trans	-55.5	-39.8	178	176.3	160	0	0	0	113	A528 V529 L530 I570 V573	I526-A528 VanDerWaalsContact C-N 3.35Å; I526-A528 PolarHBondContact O-N 2.82Å; I526-V529 PolarHBondContact O-N 3.38Å; I526-L530 HydrophobicContact CD1-CD1 4.02Å; I526-L530 HydrophobicContact CG1-CD1 3.54Å; I526-L530 HydrophobicContact CG1-CG 3.93Å; I526-L530 WeakPolarHBondContact O-CB 3.15Å; I526-L530 WeakPolarHBondContact O-CG 3.43Å; I526-L530 PolarHBondContact O-N 2.87Å; I526-I570 HydrophobicContact CD1-CB 3.74Å; I526-I570 HydrophobicContact CD1-CG1 3.53Å; I526-I570 HydrophobicContact CD1-CG2 3.65Å; I526-V573 HydrophobicContact CD1-CB 4.38Å
527	K	89	Confident	89.5	Confident	138 Å²	138	47.2 Å²	47.2	60%	0.6	24%	0.241	S	C	*	.	H	α-helix	trans	-60.1	-47.2	-179.6	-174.9	-177.9	175	-173.1	0	110.7	N525 V529 L530 D531	N525-K527 VanDerWaalsContact C-N 3.26Å; N525-K527 PolarHBondContact O-N 3.34Å; N525-K527 VanDerWaalsContact OD1-CB 3.24Å; N525-K527 WeakPolarHBondContact OD1-CB 3.49Å; N525-K527 PolarHBondContact OD1-N 2.85Å; K527-V529 VanDerWaalsContact C-N 3.3Å; K527-V529 PolarHBondContact O-N 2.86Å; K527-L530 PolarHBondContact O-N 3.46Å; K527-D531 WeakPolarHBondContact O-CB 3.44Å; K527-D531 PolarHBondContact O-N 2.91Å
528	A	88.8	Confident	89.2	Confident	37 Å²	37	45.7 Å²	45.7	31%	0.306	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-43.6	177	0	0	0	0	0	111.2	F520 N525 I526 D531 T532	F520-A528 HydrophobicContact CZ-CB 4.43Å; N525-A528 HydrophobicContact CB-CB 4.46Å; N525-A528 PolarHBondContact O-N 2.9Å; I526-A528 VanDerWaalsContact C-N 3.35Å; I526-A528 PolarHBondContact O-N 2.82Å; A528-D531 PolarHBondContact O-N 3.41Å; A528-T532 PolarHBondContact O-N 2.6Å; A528-T532 PolarHBondContact O-OG1 3.45Å; A528-T532 VanDerWaalsContact O-OG1 3.04Å
529	V	91.6	Very high	88.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-42.3	178.3	-179.3	0	0	0	0	112	F476 M518 F520 Q524 N525 I526 K527 T532 M533 I547 M553	F476-V529 HydrophobicContact CE1-CG2 3.73Å; F476-V529 HydrophobicContact CZ-CB 4.48Å; F476-V529 HydrophobicContact CZ-CG1 3.96Å; F476-V529 HydrophobicContact CZ-CG2 3.69Å; M518-V529 HydrophobicContact CE-CG1 4.19Å; M518-V529 HydrophobicContact SD-CG1 4.06Å; F520-V529 HydrophobicContact CD2-CG2 3.96Å; F520-V529 HydrophobicContact CE2-CB 4.34Å; F520-V529 HydrophobicContact CE2-CG2 3.86Å; F520-V529 HydrophobicContact CZ-CG2 4.44Å; Q524-V529 HydrophobicContact CB-CG2 4.04Å; N525-V529 PolarHBondContact O-N 3.27Å; I526-V529 PolarHBondContact O-N 3.38Å; K527-V529 VanDerWaalsContact C-N 3.3Å; K527-V529 PolarHBondContact O-N 2.86Å; V529-T532 PolarHBondContact O-N 2.86Å; V529-M533 HydrophobicContact CG1-CG 4.31Å; V529-M533 HydrophobicContact CG1-SD 3.9Å; V529-M533 WeakPolarHBondContact O-CB 3.41Å; V529-M533 WeakPolarHBondContact O-CG 3.28Å; V529-M533 PolarHBondContact O-N 2.86Å; V529-I547 HydrophobicContact CG1-CD1 4.32Å; V529-M553 HydrophobicContact CB-CE 3.8Å; V529-M553 HydrophobicContact CG1-CE 3.44Å; V529-M553 VanDerWaalsContact CG1-CE 3.44Å; V529-M553 HydrophobicContact CG2-CE 3.73Å
530	L	92.6	Very high	88.8	Confident	18 Å²	18	45.7 Å²	45.7	9%	0.094	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-40.4	177.1	-72.6	167	0	0	0	112.6	I526 K527 M533 Q534 V573 F574	I526-L530 HydrophobicContact CD1-CD1 4.02Å; I526-L530 HydrophobicContact CG1-CD1 3.54Å; I526-L530 HydrophobicContact CG1-CG 3.93Å; I526-L530 WeakPolarHBondContact O-CB 3.15Å; I526-L530 WeakPolarHBondContact O-CG 3.43Å; I526-L530 PolarHBondContact O-N 2.87Å; K527-L530 PolarHBondContact O-N 3.46Å; L530-M533 HydrophobicContact CD2-SD 4.45Å; L530-M533 PolarHBondContact O-N 2.95Å; L530-Q534 WeakPolarHBondContact O-CB 3.42Å; L530-Q534 VanDerWaalsContact O-CG 3.3Å; L530-Q534 WeakPolarHBondContact O-CG 3.41Å; L530-Q534 PolarHBondContact O-N 2.92Å; L530-V573 HydrophobicContact CD1-CB 4.26Å; L530-V573 HydrophobicContact CD1-CG1 3.22Å; L530-V573 HydrophobicContact CD2-CG1 3.77Å; L530-V573 HydrophobicContact CG-CG1 4.13Å; L530-F574 HydrophobicContact CD2-CD1 3.95Å; L530-F574 HydrophobicContact CD2-CE1 3.83Å
531	D	89.9	Confident	89.1	Confident	49 Å²	49	44.2 Å²	44.2	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-44.4	177.3	-67.8	-15.1	0	0	0	109.5	K527 A528 M533 Q534 H535	K527-D531 WeakPolarHBondContact O-CB 3.44Å; K527-D531 PolarHBondContact O-N 2.91Å; A528-D531 PolarHBondContact O-N 3.41Å; D531-M533 PolarHBondContact O-N 3.01Å; D531-Q534 PolarHBondContact O-N 2.79Å; D531-H535 VanDerWaalsContact O-CB 3.3Å; D531-H535 WeakPolarHBondContact O-CB 3.43Å; D531-H535 PolarHBondContact O-N 3.23Å
532	T	91.4	Very high	89.6	Confident	20 Å²	20	38.8 Å²	38.8	12%	0.123	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-42	172.4	-59	0	0	0	0	112.3	F77 M518 F520 A528 V529 H535 A536	F77-T532 HydrophobicContact CZ-CG2 4.49Å; M518-T532 HydrophobicContact CG-CG2 4.21Å; F520-T532 HydrophobicContact CE2-CG2 4.05Å; F520-T532 WeakPolarHBondContact CE2-OG1 3.36Å; F520-T532 VanDerWaalsContact CZ-OG1 3.29Å; F520-T532 WeakPolarHBondContact CZ-OG1 3.46Å; A528-T532 PolarHBondContact O-N 2.6Å; A528-T532 PolarHBondContact O-OG1 3.45Å; A528-T532 VanDerWaalsContact O-OG1 3.04Å; V529-T532 PolarHBondContact O-N 2.86Å; T532-H535 PolarHBondContact O-N 3.42Å; T532-A536 VanDerWaalsContact O-CB 3.29Å; T532-A536 WeakPolarHBondContact O-CB 3.4Å; T532-A536 PolarHBondContact O-N 3.2Å
533	M	93.8	Very high	90	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-46.1	176.4	-73.8	169.5	57.2	0	0	112	M518 V529 L530 D531 H535 A536 V537 V545 I547 F574 F577	M518-M533 HydrophobicContact CE-CB 4.47Å; M518-M533 HydrophobicContact CE-CG 3.26Å; M518-M533 HydrophobicContact CE-SD 4.22Å; V529-M533 HydrophobicContact CG1-CG 4.31Å; V529-M533 HydrophobicContact CG1-SD 3.9Å; V529-M533 WeakPolarHBondContact O-CB 3.41Å; V529-M533 WeakPolarHBondContact O-CG 3.28Å; V529-M533 PolarHBondContact O-N 2.86Å; L530-M533 HydrophobicContact CD2-SD 4.45Å; L530-M533 PolarHBondContact O-N 2.95Å; D531-M533 PolarHBondContact O-N 3.01Å; M533-H535 VanDerWaalsContact C-N 3.33Å; M533-A536 PolarHBondContact O-N 3.3Å; M533-V537 WeakPolarHBondContact O-CG2 3.41Å; M533-V537 PolarHBondContact O-N 3.23Å; M533-V545 HydrophobicContact CE-CB 4.44Å; M533-V545 HydrophobicContact CE-CG1 3.98Å; M533-V545 HydrophobicContact CE-CG2 4.42Å; M533-V545 HydrophobicContact CG-CG1 4.3Å; M533-V545 HydrophobicContact SD-CG1 4.26Å; M533-I547 HydrophobicContact SD-CD1 4.08Å; M533-F574 HydrophobicContact CE-CD1 3.92Å; M533-F574 HydrophobicContact CE-CE1 3.93Å; M533-F574 HydrophobicContact SD-CD1 4.2Å; M533-F574 HydrophobicContact SD-CE1 3.58Å; M533-F574 VanDerWaalsContact SD-CE1 3.58Å; M533-F577 HydrophobicContact CB-CE1 4.36Å; M533-F577 HydrophobicContact CB-CE2 3.85Å; M533-F577 HydrophobicContact CB-CZ 3.67Å; M533-F577 HydrophobicContact CE-CD1 3.36Å; M533-F577 HydrophobicContact CE-CD2 4.3Å; M533-F577 HydrophobicContact CE-CE1 3.29Å; M533-F577 HydrophobicContact CE-CE2 4.24Å; M533-F577 HydrophobicContact CE-CG 3.89Å; M533-F577 HydrophobicContact CE-CZ 3.75Å
534	Q	91.6	Very high	90.6	Very high	107 Å²	107	33.8 Å²	33.8	50%	0.5	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-44	178	-73.7	175.4	25	0	0	111.1	L530 D531 V537 Y538 F577	L530-Q534 WeakPolarHBondContact O-CB 3.42Å; L530-Q534 VanDerWaalsContact O-CG 3.3Å; L530-Q534 WeakPolarHBondContact O-CG 3.41Å; L530-Q534 PolarHBondContact O-N 2.92Å; D531-Q534 PolarHBondContact O-N 2.79Å; Q534-V537 PolarHBondContact O-N 3.36Å; Q534-Y538 PolarHBondContact O-N 3.48Å; Q534-F577 HydrophobicContact CG-CD2 4.13Å; Q534-F577 HydrophobicContact CG-CE2 3.74Å
535	H	88.8	Confident	91.1	Very high	50 Å²	50	31.4 Å²	31.4	23%	0.231	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-44.6	177.1	-174.8	-101.1	0	0	0	111.9	F77 D531 T532 M533 V537 Y538 L539	F77-H535 AromaticContact CE1-ND1 3.65Å; D531-H535 VanDerWaalsContact O-CB 3.3Å; D531-H535 WeakPolarHBondContact O-CB 3.43Å; D531-H535 PolarHBondContact O-N 3.23Å; T532-H535 PolarHBondContact O-N 3.42Å; M533-H535 VanDerWaalsContact C-N 3.33Å; H535-V537 PolarHBondContact O-N 3.46Å; H535-Y538 WeakPolarHBondContact O-CB 3.3Å; H535-Y538 PolarHBondContact O-N 3.14Å; H535-Y538 VanDerWaalsContact O-N 3.12Å; H535-L539 WeakPolarHBondContact CE1-CD1 2.96Å; H535-L539 PolarHBondContact O-N 2.78Å
536	A	91.8	Very high	91.7	Very high	6 Å²	6	28.2 Å²	28.2	5%	0.05	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-40.8	177.2	0	0	0	0	0	112.2	L472 T532 M533 Y538 L539 Y540 I542	L472-A536 HydrophobicContact CD1-CB 4.44Å; L472-A536 HydrophobicContact CD2-CB 3.57Å; T532-A536 VanDerWaalsContact O-CB 3.29Å; T532-A536 WeakPolarHBondContact O-CB 3.4Å; T532-A536 PolarHBondContact O-N 3.2Å; M533-A536 PolarHBondContact O-N 3.3Å; A536-Y538 VanDerWaalsContact C-N 3.3Å; A536-Y538 PolarHBondContact O-N 3.38Å; A536-L539 PolarHBondContact O-N 2.95Å; A536-Y540 HydrophobicContact CB-CD2 4.42Å; A536-Y540 PolarHBondContact O-N 3.43Å; A536-I542 HydrophobicContact CB-CG1 4.03Å; A536-I542 WeakPolarHBondContact O-CG1 3.49Å
537	V	91.9	Very high	92	Very high	14 Å²	14	27.7 Å²	27.7	9%	0.085	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-41.2	171.8	170.1	0	0	0	0	111	M533 Q534 H535 D541 I542 F577	M533-V537 WeakPolarHBondContact O-CG2 3.41Å; M533-V537 PolarHBondContact O-N 3.23Å; Q534-V537 PolarHBondContact O-N 3.36Å; H535-V537 PolarHBondContact O-N 3.46Å; V537-D541 VanDerWaalsContact O-CA 3.22Å; V537-D541 WeakPolarHBondContact O-CA 3.22Å; V537-D541 PolarHBondContact O-N 3Å; V537-I542 HydrophobicContact CG2-CB 4.05Å; V537-F577 HydrophobicContact CG2-CE1 4.45Å; V537-F577 HydrophobicContact CG2-CZ 3.7Å
538	Y	89	Confident	92.3	Very high	32 Å²	32	21.1 Å²	21.1	13%	0.125	11%	0.107	C	C	.	.	H	α-helix	trans	-67.5	-45.2	178.6	-176.2	-100.1	0	0	0	113	D126 T128 T129 P324 L327 K356 Q534 H535 A536	D126-Y538 PolarHBondContact OD1-OH 3.07Å; D126-Y538 PolarHBondContact OD2-OH 2.63Å; T128-Y538 VanDerWaalsContact CB-CZ 3.49Å; T128-Y538 HydrophobicContact CG2-CD1 3.83Å; T128-Y538 HydrophobicContact CG2-CD2 4.04Å; T128-Y538 HydrophobicContact CG2-CE1 3.9Å; T128-Y538 HydrophobicContact CG2-CE2 4.09Å; T128-Y538 HydrophobicContact CG2-CG 3.9Å; T128-Y538 PolarHBondContact OG1-OH 3.49Å; T129-Y538 HydrophobicContact CG2-CD1 3.69Å; T129-Y538 HydrophobicContact CG2-CE1 3.58Å; P324-Y538 HydrophobicContact CB-CE1 3.77Å; P324-Y538 HydrophobicContact CG-CD1 3.75Å; P324-Y538 HydrophobicContact CG-CE1 3.43Å; P324-Y538 VanDerWaalsContact CG-CE1 3.43Å; L327-Y538 WeakPolarHBondContact CD1-OH 3.37Å; K356-Y538 HydrophobicContact CD-CE2 4.41Å; K356-Y538 WeakPolarHBondContact CE-O 3.48Å; K356-Y538 HydrophobicContact CG-CD2 4.32Å; K356-Y538 HydrophobicContact CG-CE2 4.07Å; K356-Y538 PolarHBondContact NZ-O 2.86Å; Q534-Y538 PolarHBondContact O-N 3.48Å; H535-Y538 WeakPolarHBondContact O-CB 3.3Å; H535-Y538 PolarHBondContact O-N 3.14Å; H535-Y538 VanDerWaalsContact O-N 3.12Å; A536-Y538 VanDerWaalsContact C-N 3.3Å; A536-Y538 PolarHBondContact O-N 3.38Å
539	L	86.3	Confident	92.3	Very high	17 Å²	17	19.6 Å²	19.6	9%	0.089	9%	0.094	C	C	.	.	H	α-helix	trans	-74.7	-49.4	-177.9	-74.7	-170.2	0	0	0	112.9	T129 P324 H535 A536	T129-L539 HydrophobicContact CG2-CD2 3.52Å; T129-L539 HydrophobicContact CG2-CG 4.41Å; P324-L539 HydrophobicContact CB-CD2 4.49Å; P324-L539 HydrophobicContact CG-CD2 3.92Å; H535-L539 WeakPolarHBondContact CE1-CD1 2.96Å; H535-L539 PolarHBondContact O-N 2.78Å; A536-L539 PolarHBondContact O-N 2.95Å
540	Y	87.9	Confident	92.2	Very high	74 Å²	74	19.6 Å²	19.6	29%	0.29	9%	0.094	S	C	.	.	H	α-helix	trans	-111.2	4.1	-165.8	-51.7	-64.9	0	0	0	113.4	N470 Y516 A536 I542	N470-Y540 PolarHBondContact ND2-O 3.29Å; Y516-Y540 HydrophobicContact CD1-CD1 4.41Å; Y516-Y540 HydrophobicContact CD1-CD2 4.24Å; Y516-Y540 HydrophobicContact CD1-CE2 4.39Å; Y516-Y540 HydrophobicContact CD1-CG 4.25Å; Y516-Y540 AromaticContact CE1-CD1 3.69Å; Y516-Y540 HydrophobicContact CE1-CD1 3.69Å; Y516-Y540 HydrophobicContact CE1-CD2 4.31Å; Y516-Y540 AromaticContact CE1-CE1 3.98Å; Y516-Y540 HydrophobicContact CE1-CE1 3.98Å; Y516-Y540 AromaticContact CE1-CG 3.88Å; Y516-Y540 HydrophobicContact CE1-CG 3.88Å; Y516-Y540 HydrophobicContact CE2-CG 4.35Å; Y516-Y540 AromaticContact CZ-CD1 3.86Å; Y516-Y540 AromaticContact CZ-CG 3.93Å; A536-Y540 HydrophobicContact CB-CD2 4.42Å; A536-Y540 PolarHBondContact O-N 3.43Å; Y540-I542 PolarHBondContact O-N 3.44Å
541	D	90.9	Very high	91.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.1	C	C	.	.			trans	51	42.7	-177	-67	-69.8	0	0	0	112.8	C321 L322 K356 V537 N543	C321-D541 VanDerWaalsContact CA-OD2 3.27Å; C321-D541 WeakPolarHBondContact CA-OD2 3.24Å; C321-D541 HydrophobicContact CB-CB 4.26Å; C321-D541 PolarHBondContact SG-OD2 3.39Å; L322-D541 PolarHBondContact N-OD2 3.26Å; K356-D541 WeakPolarHBondContact CE-OD1 3.33Å; K356-D541 IonicContact NZ-OD1 2.6Å; K356-D541 PolarHBondContact NZ-OD1 3.39Å; K356-D541 IonicContact NZ-OD2 3.57Å; K356-D541 PolarHBondContact NZ-OD2 2.89Å; V537-D541 VanDerWaalsContact O-CA 3.22Å; V537-D541 WeakPolarHBondContact O-CA 3.22Å; V537-D541 PolarHBondContact O-N 3Å; D541-N543 PolarHBondContact O-N 2.76Å; D541-N543 PolarHBondContact O-ND2 3.4Å
542	I	93.8	Very high	91.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	10%	0.099	C	C	.	.			trans	-55.3	124.9	179.2	-60.1	-59.5	0	0	0	110.6	N470 L472 Y516 A536 V537 Y540 H544 V545 C583	N470-I542 HydrophobicContact CB-CD1 4.24Å; L472-I542 HydrophobicContact CB-CB 4.49Å; L472-I542 HydrophobicContact CB-CD1 4.08Å; L472-I542 HydrophobicContact CB-CG1 4.08Å; L472-I542 HydrophobicContact CB-CG2 3.64Å; Y516-I542 HydrophobicContact CD2-CD1 3.37Å; Y516-I542 HydrophobicContact CE2-CD1 3.84Å; Y516-I542 HydrophobicContact CG-CD1 4.17Å; A536-I542 HydrophobicContact CB-CG1 4.03Å; A536-I542 WeakPolarHBondContact O-CG1 3.49Å; V537-I542 HydrophobicContact CG2-CB 4.05Å; Y540-I542 PolarHBondContact O-N 3.44Å; I542-H544 WeakPolarHBondContact CG2-O 3.47Å; I542-V545 HydrophobicContact CG2-CG2 3.74Å; I542-C583 PolarHBondContact O-SG 3.26Å
543	N	93.4	Very high	91.2	Very high	15 Å²	15	20.4 Å²	20.4	8%	0.08	9%	0.094	C	C	.	.			trans	-105.6	-17	-179.4	-68.2	-55.7	0	0	0	112.7	K439 V469 N470 D541 H584	K439-N543 VanDerWaalsContact CE-OD1 3.24Å; K439-N543 WeakPolarHBondContact CE-OD1 3.16Å; K439-N543 PolarHBondContact NZ-OD1 2.96Å; V469-N543 HydrophobicContact CG1-CB 4.14Å; N470-N543 PolarHBondContact O-N 2.68Å; D541-N543 PolarHBondContact O-N 2.76Å; D541-N543 PolarHBondContact O-ND2 3.4Å; N543-H584 PolarHBondContact O-N 3.41Å
544	H	97.4	Very high	90.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.8	177.8	-176.7	-154.8	0	0	0	110.6	H437 V469 N470 T471 L472 I542 I546 H584 T586	H437-H544 AromaticContact CE1-CG 3.96Å; H437-H544 AromaticContact NE2-CD2 3.41Å; H437-H544 PolarHBondContact NE2-CD2 2.97Å; H437-H544 AromaticContact NE2-CG 3.53Å; H437-H544 AromaticContact NE2-ND1 3.97Å; H437-H544 AromaticContact NE2-NE2 3.77Å; V469-H544 HydrophobicContact CG1-CB 3.94Å; N470-H544 PolarHBondContact O-N 3.37Å; N470-H544 VanDerWaalsContact O-N 3.1Å; T471-H544 CarbonylContact C-O 3.53Å; T471-H544 VanDerWaalsContact CA-O 3.29Å; T471-H544 WeakPolarHBondContact CA-O 3.38Å; T471-H544 HydrophobicContact CG2-CB 4.25Å; L472-H544 PolarHBondContact N-O 3.5Å; I542-H544 WeakPolarHBondContact CG2-O 3.47Å; H544-I546 VanDerWaalsContact CE1-CD1 3.45Å; H544-I546 WeakPolarHBondContact CE1-CD1 3.46Å; H544-H584 CarbonylContact C-O 3.6Å; H544-H584 WeakPolarHBondContact CA-O 3.37Å; H544-H584 AromaticContact CD2-CD2 3.8Å; H544-H584 AromaticContact NE2-CD2 4Å; H544-T586 PolarHBondContact NE2-OG1 3.48Å
545	V	98.1	Very high	89.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	174.3	178.5	0	0	0	0	109.2	L472 M518 M533 I542 I547 F577 H584 V585 T586	L472-V545 HydrophobicContact CB-CG2 4.25Å; L472-V545 HydrophobicContact CD2-CG2 4.33Å; L472-V545 CarbonylContact O-C 3.19Å; L472-V545 WeakPolarHBondContact O-CA 3.2Å; M518-V545 HydrophobicContact CE-CG1 4.4Å; M533-V545 HydrophobicContact CE-CB 4.44Å; M533-V545 HydrophobicContact CE-CG1 3.98Å; M533-V545 HydrophobicContact CE-CG2 4.42Å; M533-V545 HydrophobicContact CG-CG1 4.3Å; M533-V545 HydrophobicContact SD-CG1 4.26Å; I542-V545 HydrophobicContact CG2-CG2 3.74Å; V545-I547 HydrophobicContact CG1-CD1 3.78Å; V545-I547 HydrophobicContact CG1-CG1 4.11Å; V545-F577 HydrophobicContact CG2-CE1 4.4Å; V545-H584 PolarHBondContact N-O 2.87Å; V545-V585 CarbonylContact O-C 3.55Å; V545-V585 WeakPolarHBondContact O-CA 3.38Å; V545-T586 PolarHBondContact O-N 2.97Å
546	I	98	Very high	87.9	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.9	171.3	-58.5	89.7	0	0	0	109	I457 A461 T471 L472 W473 G474 H544 T586 I588	I457-I546 HydrophobicContact CG2-CG1 4.08Å; I457-I546 HydrophobicContact CG2-CG2 3.75Å; A461-I546 HydrophobicContact CB-CD1 3.87Å; A461-I546 HydrophobicContact CB-CG1 4.43Å; T471-I546 HydrophobicContact CG2-CD1 3.24Å; L472-I546 PolarHBondContact O-N 3.37Å; W473-I546 HydrophobicContact CD2-CB 4Å; W473-I546 HydrophobicContact CD2-CG1 4.5Å; W473-I546 HydrophobicContact CD2-CG2 4.08Å; W473-I546 HydrophobicContact CE3-CB 3.9Å; W473-I546 HydrophobicContact CE3-CD1 3.73Å; W473-I546 HydrophobicContact CE3-CG1 3.89Å; W473-I546 HydrophobicContact CE3-CG2 4.13Å; W473-I546 HydrophobicContact CG-CB 4.48Å; W473-I546 HydrophobicContact CH2-CG2 3.94Å; W473-I546 HydrophobicContact CZ2-CG2 3.89Å; W473-I546 HydrophobicContact CZ3-CB 4.19Å; W473-I546 HydrophobicContact CZ3-CD1 4.11Å; W473-I546 HydrophobicContact CZ3-CG1 3.94Å; W473-I546 HydrophobicContact CZ3-CG2 4.04Å; G474-I546 PolarHBondContact N-O 3.29Å; H544-I546 VanDerWaalsContact CE1-CD1 3.45Å; H544-I546 WeakPolarHBondContact CE1-CD1 3.46Å; I546-T586 WeakPolarHBondContact CA-O 3.28Å; I546-I588 HydrophobicContact CG2-CD1 3.55Å
547	I	96.7	Very high	86.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	105.2	174.7	-58.1	-61.2	0	0	0	108.9	F476 M518 V529 M533 V545 M553 F574 T586 L587 I588	F476-I547 HydrophobicContact CD2-CG2 4.39Å; F476-I547 HydrophobicContact CE2-CD1 4.27Å; F476-I547 HydrophobicContact CE2-CG2 4Å; M518-I547 HydrophobicContact CE-CD1 4.22Å; V529-I547 HydrophobicContact CG1-CD1 4.32Å; M533-I547 HydrophobicContact SD-CD1 4.08Å; V545-I547 HydrophobicContact CG1-CD1 3.78Å; V545-I547 HydrophobicContact CG1-CG1 4.11Å; I547-M553 HydrophobicContact CD1-CE 4.33Å; I547-M553 HydrophobicContact CG2-CE 3.62Å; I547-M553 HydrophobicContact CG2-SD 3.97Å; I547-F574 HydrophobicContact CG1-CZ 4.37Å; I547-T586 PolarHBondContact N-O 2.91Å; I547-L587 HydrophobicContact CB-CD1 3.74Å; I547-L587 HydrophobicContact CG2-CD1 3.7Å; I547-I588 VanDerWaalsContact O-CD1 3.24Å; I547-I588 WeakPolarHBondContact O-CD1 3.37Å; I547-I588 PolarHBondContact O-N 2.91Å
548	D	94.3	Very high	84.3	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	100	-178.5	-163.4	9.6	0	0	0	111.4	T454 W473 G474 F476 E477 I588	T454-D548 VanDerWaalsContact CB-OD2 3.25Å; T454-D548 WeakPolarHBondContact CB-OD2 3.29Å; T454-D548 WeakPolarHBondContact CG2-OD2 3.3Å; T454-D548 PolarHBondContact OG1-OD2 2.76Å; W473-D548 HydrophobicContact CZ2-CB 4.45Å; G474-D548 PolarHBondContact O-N 3.4Å; F476-D548 PolarHBondContact N-O 3.03Å; E477-D548 PolarHBondContact N-O 3.18Å; D548-I588 HydrophobicContact CB-CD1 3.88Å; D548-I588 HydrophobicContact CB-CG1 4.31Å; D548-I588 WeakPolarHBondContact OD1-CG2 3.44Å
549	N	89	Confident	82.8	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.027	19%	0.191	C	C	.	.			cis	-122.5	167	0.7	69.2	42.6	0	0	0	111.3	E477 Q551 F552 I588 H590	E477-N549 PolarHBondContact OE2-ND2 3.06Å; N549-Q551 VanDerWaalsContact C-N 3.26Å; N549-Q551 PolarHBondContact O-N 3.28Å; N549-Q551 WeakPolarHBondContact OD1-CA 2.8Å; N549-Q551 WeakPolarHBondContact OD1-CB 3.17Å; N549-Q551 PolarHBondContact OD1-N 3.4Å; N549-Q551 PolarHBondContact OD1-OE1 2.88Å; N549-F552 WeakPolarHBondContact ND2-CE2 3.45Å; N549-F552 PolarHBondContact O-N 3.44Å; N549-F552 WeakPolarHBondContact OD1-CD2 3.45Å; N549-F552 PolarHBondContact OD1-N 3.35Å; N549-I588 HydrophobicContact CB-CB 4.41Å; N549-I588 HydrophobicContact CB-CG2 4.27Å; N549-H590 PolarHBondContact ND2-CD2 2.99Å; N549-H590 VanDerWaalsContact ND2-CD2 3.29Å; N549-H590 PolarHBondContact ND2-NE2 2.93Å
550	L	88.7	Confident	81.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-58.5	-34.9	179.9	178.9	63.4	0	0	0	113.4	F552 M553 Q567 I570 I571 F574 L587 I588 I589	L550-F552 PolarHBondContact O-N 3.04Å; L550-M553 HydrophobicContact CD1-SD 4.43Å; L550-M553 WeakPolarHBondContact O-CB 3.26Å; L550-M553 PolarHBondContact O-N 2.8Å; L550-Q567 HydrophobicContact CD2-CG 3.79Å; L550-I570 HydrophobicContact CD1-CB 4.24Å; L550-I570 HydrophobicContact CD1-CD1 4.45Å; L550-I570 HydrophobicContact CD1-CG2 3.32Å; L550-I571 HydrophobicContact CD2-CG1 4.47Å; L550-F574 HydrophobicContact CD1-CE2 4.23Å; L550-L587 HydrophobicContact CB-CD1 3.9Å; L550-L587 HydrophobicContact CB-CG 4.32Å; L550-L587 HydrophobicContact CD1-CD1 4.08Å; L550-L587 HydrophobicContact CD1-CD2 4.25Å; L550-L587 HydrophobicContact CD2-CD2 4.16Å; L550-L587 HydrophobicContact CG-CD1 4.46Å; L550-I588 PolarHBondContact N-O 3.09Å; L550-I589 HydrophobicContact CB-CG1 4.16Å; L550-I589 HydrophobicContact CD2-CD1 3.75Å; L550-I589 HydrophobicContact CD2-CG1 3.84Å; L550-I589 HydrophobicContact CD2-CG2 4.41Å
551	Q	86.6	Confident	80.4	Confident	47 Å²	47	41.2 Å²	41.2	22%	0.22	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-62.9	-26.8	-172.2	-73.4	78.7	-1.7	0	0	113.1	N549 M553 M554 H590	N549-Q551 VanDerWaalsContact C-N 3.26Å; N549-Q551 PolarHBondContact O-N 3.28Å; N549-Q551 WeakPolarHBondContact OD1-CA 2.8Å; N549-Q551 WeakPolarHBondContact OD1-CB 3.17Å; N549-Q551 PolarHBondContact OD1-N 3.4Å; N549-Q551 PolarHBondContact OD1-OE1 2.88Å; Q551-M553 PolarHBondContact O-N 2.87Å; Q551-M554 PolarHBondContact O-N 3.03Å; Q551-H590 PolarHBondContact NE2-O 3.43Å
552	F	85.4	Confident	79.8	Confident	53 Å²	53	45.7 Å²	45.7	23%	0.232	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.9	-18.4	175.7	-75.5	-79	0	0	0	113.8	F476 E477 Q523 Q524 N549 L550	F476-F552 HydrophobicContact CB-CB 3.56Å; F476-F552 HydrophobicContact CB-CD2 3.76Å; F476-F552 HydrophobicContact CB-CG 3.7Å; F476-F552 HydrophobicContact CG-CB 4.2Å; E477-F552 HydrophobicContact CB-CD2 4.41Å; E477-F552 HydrophobicContact CB-CE2 3.58Å; E477-F552 HydrophobicContact CB-CZ 4.13Å; E477-F552 HydrophobicContact CG-CE2 3.88Å; E477-F552 HydrophobicContact CG-CZ 4.12Å; Q523-F552 VanDerWaalsContact CA-O 3.23Å; Q523-F552 WeakPolarHBondContact CA-O 3.47Å; Q523-F552 HydrophobicContact CG-CD1 4.45Å; Q524-F552 PolarHBondContact N-O 2.68Å; N549-F552 WeakPolarHBondContact ND2-CE2 3.45Å; N549-F552 PolarHBondContact O-N 3.44Å; N549-F552 WeakPolarHBondContact OD1-CD2 3.45Å; N549-F552 PolarHBondContact OD1-N 3.35Å; L550-F552 PolarHBondContact O-N 3.04Å
553	M	82	Confident	79.2	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.025	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-89.1	-13	178.5	-63.2	167.4	162.1	0	0	113.5	F476 Q524 V529 I547 L550 Q551 I570 F574	F476-M553 HydrophobicContact CD2-CE 4.4Å; F476-M553 HydrophobicContact CE1-CE 4.17Å; F476-M553 HydrophobicContact CE2-CE 3.6Å; F476-M553 HydrophobicContact CZ-CE 3.47Å; F476-M553 VanDerWaalsContact CZ-CE 3.47Å; Q524-M553 WeakPolarHBondContact O-CA 3.39Å; V529-M553 HydrophobicContact CB-CE 3.8Å; V529-M553 HydrophobicContact CG1-CE 3.44Å; V529-M553 VanDerWaalsContact CG1-CE 3.44Å; V529-M553 HydrophobicContact CG2-CE 3.73Å; I547-M553 HydrophobicContact CD1-CE 4.33Å; I547-M553 HydrophobicContact CG2-CE 3.62Å; I547-M553 HydrophobicContact CG2-SD 3.97Å; L550-M553 HydrophobicContact CD1-SD 4.43Å; L550-M553 WeakPolarHBondContact O-CB 3.26Å; L550-M553 PolarHBondContact O-N 2.8Å; Q551-M553 PolarHBondContact O-N 2.87Å; M553-I570 HydrophobicContact CB-CD1 4.15Å; M553-F574 HydrophobicContact CE-CE2 4.45Å; M553-F574 HydrophobicContact CE-CZ 3.78Å; M553-F574 HydrophobicContact SD-CE2 3.75Å; M553-F574 HydrophobicContact SD-CZ 3.6Å; M553-F574 VanDerWaalsContact SD-CZ 3.6Å
554	M	79.4	Confident	78.8	Confident	25 Å²	25	55.9 Å²	55.9	12%	0.123	30%	0.296	C	S	.	.	S	Bend	trans	-88.4	-9.8	-174.2	-61.8	176.6	60.6	0	0	113.4	Q551 K563 Q567 I570 F606	Q551-M554 PolarHBondContact O-N 3.03Å; M554-K563 HydrophobicContact CE-CB 4.29Å; M554-K563 VanDerWaalsContact CE-O 3.26Å; M554-K563 WeakPolarHBondContact CE-O 3.4Å; M554-Q567 HydrophobicContact CE-CB 3.7Å; M554-Q567 HydrophobicContact CE-CG 4.06Å; M554-Q567 HydrophobicContact SD-CB 4.14Å; M554-Q567 HydrophobicContact SD-CG 3.91Å; M554-I570 HydrophobicContact CG-CD1 3.89Å; M554-F606 HydrophobicContact CE-CE1 4.3Å
555	G	65.8	Low	78.3	Confident	38 Å²	38	58.2 Å²	58.2	39%	0.392	32%	0.316	S	S	.	.	S	Bend	trans	-88.1	-9.5	-166.6	0	0	0	0	0	116.6
556	Q	59	Low	77.8	Confident	107 Å²	107	58.6 Å²	58.6	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-98.3	-13.8	-171.2	-69.6	-129.9	-30.8	0	0	115.1	Q523	Q523-Q556 HydrophobicContact CB-CG 4.24Å
557	E	55.2	Low	77.4	Confident	82 Å²	82	58.6 Å²	58.6	38%	0.383	32%	0.318	S	S	.	.	S	Bend	trans	-85.9	139.2	179	-64.5	-170.9	176.6	0	0	110.8	V566	E557-V566 VanDerWaalsContact OE2-CG2 3.31Å; E557-V566 WeakPolarHBondContact OE2-CG2 3.47Å
558	N	54.2	Low	77.2	Confident	126 Å²	126	60.3 Å²	60.3	67%	0.674	33%	0.327	S	S	*	.			trans	-41	137	-173.2	-63.9	-37	0	0	0	113	S560 V561	N558-S560 PolarHBondContact O-N 2.85Å; N558-V561 PolarHBondContact O-N 3.32Å
559	L	56.5	Low	77.1	Confident	183 Å²	183	65.5 Å²	65.5	96%	0.958	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-8.4	178.8	-78.9	144	0	0	0	115.6
560	S	57.7	Low	77.3	Confident	108 Å²	108	65.3 Å²	65.3	76%	0.755	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-14.9	176.9	57.7	0	0	0	0	114.9	N558	N558-S560 PolarHBondContact O-N 2.85Å
561	V	65.6	Low	77.6	Confident	68 Å²	68	65.3 Å²	65.3	41%	0.412	35%	0.35	S	S	.	.	S	Bend	trans	-91.2	136.6	-177.6	-170.9	0	0	0	0	110.6	N558 K563 V566	N558-V561 PolarHBondContact O-N 3.32Å; V561-K563 PolarHBondContact O-N 2.85Å; V561-K563 VanDerWaalsContact O-N 3.13Å; V561-V566 HydrophobicContact CB-CG2 4.17Å; V561-V566 HydrophobicContact CG1-CG2 3.55Å
562	D	79.8	Confident	78	Confident	95 Å²	95	64.2 Å²	64.2	51%	0.508	35%	0.351	S	S	.	.			trans	-59.2	115.9	174.2	177.8	12.5	0	0	0	110.4	F564 A565 V566	D562-F564 PolarHBondContact O-N 3.4Å; D562-F564 VanDerWaalsContact O-N 3.11Å; D562-F564 WeakPolarHBondContact OD1-CD2 3.43Å; D562-F564 PolarHBondContact OD1-N 3.2Å; D562-A565 HydrophobicContact CB-CB 4.06Å; D562-A565 WeakPolarHBondContact O-CB 3.25Å; D562-A565 PolarHBondContact O-N 3.06Å; D562-V566 PolarHBondContact O-N 2.95Å; D562-V566 VanDerWaalsContact O-N 3.08Å
563	K	79.7	Confident	78.5	Confident	142 Å²	142	63.4 Å²	63.4	62%	0.617	35%	0.351	S	S	*	.	H	α-helix	trans	-54.9	-31.5	-179.8	-66.5	-179.6	179.9	178.7	0	112.2	M554 V561 Q567	M554-K563 HydrophobicContact CE-CB 4.29Å; M554-K563 VanDerWaalsContact CE-O 3.26Å; M554-K563 WeakPolarHBondContact CE-O 3.4Å; V561-K563 PolarHBondContact O-N 2.85Å; V561-K563 VanDerWaalsContact O-N 3.13Å; K563-Q567 PolarHBondContact O-N 3.17Å
564	F	85.7	Confident	79.2	Confident	89 Å²	89	63.2 Å²	63.2	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-71.8	-39.9	177.2	-62	-59.1	0	0	0	112.1	D562 V566 Q567 D568 F606	D562-F564 PolarHBondContact O-N 3.4Å; D562-F564 VanDerWaalsContact O-N 3.11Å; D562-F564 WeakPolarHBondContact OD1-CD2 3.43Å; D562-F564 PolarHBondContact OD1-N 3.2Å; F564-V566 VanDerWaalsContact C-N 3.34Å; F564-V566 PolarHBondContact O-N 3.16Å; F564-Q567 WeakPolarHBondContact O-CB 3.24Å; F564-Q567 PolarHBondContact O-N 2.96Å; F564-D568 WeakPolarHBondContact O-CB 3.25Å; F564-D568 VanDerWaalsContact O-CG 3.31Å; F564-D568 PolarHBondContact O-N 3.4Å; F564-F606 HydrophobicContact CE1-CZ 4.5Å
565	A	87.3	Confident	80	Confident	50 Å²	50	63.7 Å²	63.7	41%	0.413	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-40.2	174.7	0	0	0	0	0	111.9	D562 D568 H569	D562-A565 HydrophobicContact CB-CB 4.06Å; D562-A565 WeakPolarHBondContact O-CB 3.25Å; D562-A565 PolarHBondContact O-N 3.06Å; A565-D568 PolarHBondContact O-N 3.37Å; A565-H569 PolarHBondContact O-N 3.18Å
566	V	87.3	Confident	81.4	Confident	7 Å²	7	68.6 Å²	68.6	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-48.4	173.8	179	0	0	0	0	110.4	E557 V561 D562 F564 D568 H569 I570	E557-V566 VanDerWaalsContact OE2-CG2 3.31Å; E557-V566 WeakPolarHBondContact OE2-CG2 3.47Å; V561-V566 HydrophobicContact CB-CG2 4.17Å; V561-V566 HydrophobicContact CG1-CG2 3.55Å; D562-V566 PolarHBondContact O-N 2.95Å; D562-V566 VanDerWaalsContact O-N 3.08Å; F564-V566 VanDerWaalsContact C-N 3.34Å; F564-V566 PolarHBondContact O-N 3.16Å; V566-D568 VanDerWaalsContact C-N 3.29Å; V566-D568 PolarHBondContact O-N 3.27Å; V566-H569 WeakPolarHBondContact O-CB 3.31Å; V566-H569 PolarHBondContact O-N 2.61Å; V566-H569 VanDerWaalsContact O-N 3.16Å; V566-I570 HydrophobicContact CG1-CD1 3.94Å; V566-I570 HydrophobicContact CG1-CG1 4.43Å; V566-I570 VanDerWaalsContact O-CG1 3.29Å; V566-I570 WeakPolarHBondContact O-CG1 3.34Å; V566-I570 PolarHBondContact O-N 3.43Å
567	Q	89.9	Confident	83.2	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.5	-43.5	177.8	-162.7	179.9	-5.5	0	0	112.3	L550 M554 K563 F564 H569 I570 I571 F606	L550-Q567 HydrophobicContact CD2-CG 3.79Å; M554-Q567 HydrophobicContact CE-CB 3.7Å; M554-Q567 HydrophobicContact CE-CG 4.06Å; M554-Q567 HydrophobicContact SD-CB 4.14Å; M554-Q567 HydrophobicContact SD-CG 3.91Å; K563-Q567 PolarHBondContact O-N 3.17Å; F564-Q567 WeakPolarHBondContact O-CB 3.24Å; F564-Q567 PolarHBondContact O-N 2.96Å; Q567-H569 VanDerWaalsContact C-N 3.29Å; Q567-H569 PolarHBondContact O-N 3.45Å; Q567-I570 PolarHBondContact O-N 3.12Å; Q567-I571 HydrophobicContact CG-CD1 3.92Å; Q567-I571 WeakPolarHBondContact O-CD1 3.49Å; Q567-I571 VanDerWaalsContact O-CG1 3.29Å; Q567-I571 WeakPolarHBondContact O-CG1 3.28Å; Q567-I571 PolarHBondContact O-N 3.24Å; Q567-F606 PolarHBondContact NE2-O 2.62Å
568	D	91.9	Very high	85.1	Confident	37 Å²	37	60.1 Å²	60.1	20%	0.198	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-34.8	178.8	-79.9	5.3	0	0	0	112.8	F564 A565 V566 G572 S608 K610	F564-D568 WeakPolarHBondContact O-CB 3.25Å; F564-D568 VanDerWaalsContact O-CG 3.31Å; F564-D568 PolarHBondContact O-N 3.4Å; A565-D568 PolarHBondContact O-N 3.37Å; V566-D568 VanDerWaalsContact C-N 3.29Å; V566-D568 PolarHBondContact O-N 3.27Å; D568-G572 PolarHBondContact O-N 3.03Å; D568-S608 VanDerWaalsContact OD1-CB 3.29Å; D568-S608 WeakPolarHBondContact OD1-CB 3.25Å; D568-S608 PolarHBondContact OD1-OG 3.44Å; D568-S608 PolarHBondContact OD2-OG 3.45Å; D568-S608 VanDerWaalsContact OD2-OG 3.05Å; D568-K610 HydrophobicContact CB-CD 3.49Å; D568-K610 VanDerWaalsContact CB-CD 3.49Å; D568-K610 WeakPolarHBondContact O-CD 3.18Å; D568-K610 WeakPolarHBondContact O-CE 3.42Å; D568-K610 PolarHBondContact O-NZ 2.74Å; D568-K610 WeakPolarHBondContact OD1-CB 3.46Å
569	H	92.2	Very high	86.9	Confident	109 Å²	109	57.6 Å²	57.6	51%	0.505	31%	0.31	S	S	.	.	H	α-helix	trans	-64.2	-51.7	171.2	-178.8	69.2	0	0	0	110.3	A565 V566 Q567 I571 G572 V573	A565-H569 PolarHBondContact O-N 3.18Å; V566-H569 WeakPolarHBondContact O-CB 3.31Å; V566-H569 PolarHBondContact O-N 2.61Å; V566-H569 VanDerWaalsContact O-N 3.16Å; Q567-H569 VanDerWaalsContact C-N 3.29Å; Q567-H569 PolarHBondContact O-N 3.45Å; H569-I571 PolarHBondContact O-N 2.87Å; H569-G572 PolarHBondContact O-N 3.1Å; H569-G572 VanDerWaalsContact O-N 3.12Å; H569-V573 WeakPolarHBondContact O-CG2 3.48Å; H569-V573 PolarHBondContact O-N 2.89Å
570	I	93.1	Very high	88.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-48.9	-180	-63.5	167.2	0	0	0	111.6	I526 L550 M553 M554 V566 Q567 G572 V573 F574	I526-I570 HydrophobicContact CD1-CB 3.74Å; I526-I570 HydrophobicContact CD1-CG1 3.53Å; I526-I570 HydrophobicContact CD1-CG2 3.65Å; L550-I570 HydrophobicContact CD1-CB 4.24Å; L550-I570 HydrophobicContact CD1-CD1 4.45Å; L550-I570 HydrophobicContact CD1-CG2 3.32Å; M553-I570 HydrophobicContact CB-CD1 4.15Å; M554-I570 HydrophobicContact CG-CD1 3.89Å; V566-I570 HydrophobicContact CG1-CD1 3.94Å; V566-I570 HydrophobicContact CG1-CG1 4.43Å; V566-I570 VanDerWaalsContact O-CG1 3.29Å; V566-I570 WeakPolarHBondContact O-CG1 3.34Å; V566-I570 PolarHBondContact O-N 3.43Å; Q567-I570 PolarHBondContact O-N 3.12Å; I570-G572 VanDerWaalsContact C-N 3.32Å; I570-G572 PolarHBondContact O-N 3.22Å; I570-V573 PolarHBondContact O-N 3.36Å; I570-F574 HydrophobicContact CG2-CD2 3.56Å; I570-F574 HydrophobicContact CG2-CE2 3.3Å; I570-F574 HydrophobicContact CG2-CZ 4.24Å; I570-F574 PolarHBondContact O-N 3.21Å
571	I	95.1	Very high	90.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.7	-45.5	178.4	-68.8	156.7	0	0	0	110.8	L550 Q567 H569 V573 F574 R575 K610 A611 E614	L550-I571 HydrophobicContact CD2-CG1 4.47Å; Q567-I571 HydrophobicContact CG-CD1 3.92Å; Q567-I571 WeakPolarHBondContact O-CD1 3.49Å; Q567-I571 VanDerWaalsContact O-CG1 3.29Å; Q567-I571 WeakPolarHBondContact O-CG1 3.28Å; Q567-I571 PolarHBondContact O-N 3.24Å; H569-I571 PolarHBondContact O-N 2.87Å; I571-V573 VanDerWaalsContact C-N 3.3Å; I571-V573 PolarHBondContact O-N 3.38Å; I571-F574 PolarHBondContact O-N 3.02Å; I571-R575 WeakPolarHBondContact O-CB 3.45Å; I571-R575 PolarHBondContact O-N 3.45Å; I571-K610 HydrophobicContact CG2-CG 4.49Å; I571-A611 HydrophobicContact CD1-CB 3.59Å; I571-A611 HydrophobicContact CG1-CB 4.42Å; I571-E614 HydrophobicContact CG2-CB 3.85Å; I571-E614 HydrophobicContact CG2-CG 4.12Å
572	G	95.1	Very high	91.3	Very high	24 Å²	24	48 Å²	48	25%	0.247	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-39.3	178.2	0	0	0	0	0	112.4	D568 H569 I570 R575 K576	D568-G572 PolarHBondContact O-N 3.03Å; H569-G572 PolarHBondContact O-N 3.1Å; H569-G572 VanDerWaalsContact O-N 3.12Å; I570-G572 VanDerWaalsContact C-N 3.32Å; I570-G572 PolarHBondContact O-N 3.22Å; G572-R575 PolarHBondContact O-N 3.3Å; G572-K576 WeakPolarHBondContact O-CB 3.34Å; G572-K576 PolarHBondContact O-N 2.95Å
573	V	95.7	Very high	92	Very high	36 Å²	36	43.5 Å²	43.5	22%	0.218	23%	0.23	C	C	.	.	H	α-helix	trans	-70.4	-42.4	178.3	-175.9	0	0	0	0	111.6	I526 L530 H569 I570 I571 R575 K576 F577	I526-V573 HydrophobicContact CD1-CB 4.38Å; L530-V573 HydrophobicContact CD1-CB 4.26Å; L530-V573 HydrophobicContact CD1-CG1 3.22Å; L530-V573 HydrophobicContact CD2-CG1 3.77Å; L530-V573 HydrophobicContact CG-CG1 4.13Å; H569-V573 WeakPolarHBondContact O-CG2 3.48Å; H569-V573 PolarHBondContact O-N 2.89Å; I570-V573 PolarHBondContact O-N 3.36Å; I571-V573 VanDerWaalsContact C-N 3.3Å; I571-V573 PolarHBondContact O-N 3.38Å; V573-R575 VanDerWaalsContact C-N 3.35Å; V573-R575 PolarHBondContact O-N 3.42Å; V573-K576 PolarHBondContact O-N 3.3Å; V573-F577 WeakPolarHBondContact O-CB 3.48Å; V573-F577 PolarHBondContact O-N 2.91Å
574	F	96.6	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-37.8	174.5	-74.1	-43.2	0	0	0	112.9	L530 M533 I547 L550 M553 I570 I571 F577 A578 V585 L587	L530-F574 HydrophobicContact CD2-CD1 3.95Å; L530-F574 HydrophobicContact CD2-CE1 3.83Å; M533-F574 HydrophobicContact CE-CD1 3.92Å; M533-F574 HydrophobicContact CE-CE1 3.93Å; M533-F574 HydrophobicContact SD-CD1 4.2Å; M533-F574 HydrophobicContact SD-CE1 3.58Å; M533-F574 VanDerWaalsContact SD-CE1 3.58Å; I547-F574 HydrophobicContact CG1-CZ 4.37Å; L550-F574 HydrophobicContact CD1-CE2 4.23Å; M553-F574 HydrophobicContact CE-CE2 4.45Å; M553-F574 HydrophobicContact CE-CZ 3.78Å; M553-F574 HydrophobicContact SD-CE2 3.75Å; M553-F574 HydrophobicContact SD-CZ 3.6Å; M553-F574 VanDerWaalsContact SD-CZ 3.6Å; I570-F574 HydrophobicContact CG2-CD2 3.56Å; I570-F574 HydrophobicContact CG2-CE2 3.3Å; I570-F574 HydrophobicContact CG2-CZ 4.24Å; I570-F574 PolarHBondContact O-N 3.21Å; I571-F574 PolarHBondContact O-N 3.02Å; F574-F577 PolarHBondContact O-N 3.14Å; F574-A578 WeakPolarHBondContact O-CB 3.01Å; F574-A578 PolarHBondContact O-N 2.87Å; F574-V585 HydrophobicContact CB-CG1 4.5Å; F574-L587 HydrophobicContact CD2-CD1 4.33Å; F574-L587 HydrophobicContact CD2-CD2 4.27Å; F574-L587 HydrophobicContact CE2-CD1 4.25Å
575	R	96.8	Very high	93.4	Very high	36 Å²	36	32.7 Å²	32.7	14%	0.136	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-43.8	175.2	179.2	59.4	-157.3	-134.6	24.8	112.1	L442 I571 G572 V573 A578 T579 E614 D616	L442-R575 HydrophobicContact CD2-CB 4.02Å; I571-R575 WeakPolarHBondContact O-CB 3.45Å; I571-R575 PolarHBondContact O-N 3.45Å; G572-R575 PolarHBondContact O-N 3.3Å; V573-R575 VanDerWaalsContact C-N 3.35Å; V573-R575 PolarHBondContact O-N 3.42Å; R575-A578 PolarHBondContact O-N 2.92Å; R575-T579 PolarHBondContact O-N 3.48Å; R575-T579 PolarHBondContact O-OG1 3.34Å; R575-E614 WeakPolarHBondContact CD-O 3.36Å; R575-E614 PolarHBondContact NH1-O 3.1Å; R575-D616 IonicContact CZ-OD1 3.89Å; R575-D616 VanDerWaalsContact CZ-OD1 3.31Å; R575-D616 IonicContact CZ-OD2 3.28Å; R575-D616 IonicContact NH1-OD1 3.19Å; R575-D616 PolarHBondContact NH1-OD1 3.32Å; R575-D616 IonicContact NH1-OD2 3Å; R575-D616 PolarHBondContact NH1-OD2 3.12Å; R575-D616 IonicContact NH2-OD1 3.19Å; R575-D616 PolarHBondContact NH2-OD1 3.05Å; R575-D616 IonicContact NH2-OD2 3.06Å; R575-D616 PolarHBondContact NH2-OD2 3.08Å
576	K	95.8	Very high	94	Very high	140 Å²	140	30.4 Å²	30.4	61%	0.609	16%	0.164	S	C	*	.	H	α-helix	trans	-63	-42.9	175.5	-175.8	178	179.9	-177.4	0	111.2	G572 V573 N580	G572-K576 WeakPolarHBondContact O-CB 3.34Å; G572-K576 PolarHBondContact O-N 2.95Å; V573-K576 PolarHBondContact O-N 3.3Å; K576-N580 VanDerWaalsContact O-CB 3.3Å; K576-N580 WeakPolarHBondContact O-CB 3.38Å; K576-N580 VanDerWaalsContact O-CG 3.25Å; K576-N580 PolarHBondContact O-N 3.12Å
577	F	96.1	Very high	94.4	Very high	11 Å²	11	30.1 Å²	30.1	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-50.6	176	176.2	-88.4	0	0	0	111.5	M533 Q534 V537 V545 V573 F574 T579 N580 S581 C583 V585	M533-F577 HydrophobicContact CB-CE1 4.36Å; M533-F577 HydrophobicContact CB-CE2 3.85Å; M533-F577 HydrophobicContact CB-CZ 3.67Å; M533-F577 HydrophobicContact CE-CD1 3.36Å; M533-F577 HydrophobicContact CE-CD2 4.3Å; M533-F577 HydrophobicContact CE-CE1 3.29Å; M533-F577 HydrophobicContact CE-CE2 4.24Å; M533-F577 HydrophobicContact CE-CG 3.89Å; M533-F577 HydrophobicContact CE-CZ 3.75Å; Q534-F577 HydrophobicContact CG-CD2 4.13Å; Q534-F577 HydrophobicContact CG-CE2 3.74Å; V537-F577 HydrophobicContact CG2-CE1 4.45Å; V537-F577 HydrophobicContact CG2-CZ 3.7Å; V545-F577 HydrophobicContact CG2-CE1 4.4Å; V573-F577 WeakPolarHBondContact O-CB 3.48Å; V573-F577 PolarHBondContact O-N 2.91Å; F574-F577 PolarHBondContact O-N 3.14Å; F577-T579 VanDerWaalsContact C-N 3.3Å; F577-T579 PolarHBondContact O-N 3.18Å; F577-N580 PolarHBondContact O-N 2.91Å; F577-S581 WeakPolarHBondContact CE2-OG 3.42Å; F577-S581 VanDerWaalsContact O-CB 3.25Å; F577-S581 WeakPolarHBondContact O-CB 3.38Å; F577-S581 PolarHBondContact O-N 2.85Å; F577-S581 PolarHBondContact O-OG 3.32Å; F577-C583 HydrophobicContact CE1-CB 4.15Å; F577-V585 HydrophobicContact CD1-CG2 3.95Å; F577-V585 HydrophobicContact CE1-CG2 4.37Å
578	A	96.2	Very high	94.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-52.4	-52	-179.9	0	0	0	0	0	110.8	G440 F574 R575 S582 C583 V585	G440-A578 WeakPolarHBondContact CA-O 3.39Å; F574-A578 WeakPolarHBondContact O-CB 3.01Å; F574-A578 PolarHBondContact O-N 2.87Å; R575-A578 PolarHBondContact O-N 2.92Å; A578-S582 WeakPolarHBondContact O-CA 3.47Å; A578-S582 PolarHBondContact O-N 3.2Å; A578-S582 VanDerWaalsContact O-N 3.09Å; A578-C583 CarbonylContact C-O 3.57Å; A578-C583 WeakPolarHBondContact CA-O 3.36Å; A578-C583 VanDerWaalsContact CB-O 3.31Å; A578-C583 WeakPolarHBondContact CB-O 3.26Å; A578-C583 PolarHBondContact O-N 3.39Å; A578-V585 HydrophobicContact CB-CB 4.35Å; A578-V585 HydrophobicContact CB-CG2 3.81Å
579	T	92.1	Very high	94.8	Very high	73 Å²	73	28.3 Å²	28.3	45%	0.448	15%	0.153	S	C	.	.	H	α-helix	trans	-65.2	-47.5	-177.6	-49.2	0	0	0	0	112.4	R575 F577 S582	R575-T579 PolarHBondContact O-N 3.48Å; R575-T579 PolarHBondContact O-OG1 3.34Å; F577-T579 VanDerWaalsContact C-N 3.3Å; F577-T579 PolarHBondContact O-N 3.18Å; T579-S582 PolarHBondContact O-N 3.34Å
580	N	90.8	Very high	94.8	Very high	91 Å²	91	24.6 Å²	24.6	49%	0.487	14%	0.135	S	C	.	.	H	α-helix	trans	-71.6	-41	-174.4	-73.2	-5	0	0	0	112.4	R355 K576 F577 S582	R355-N580 PolarHBondContact NH1-O 2.67Å; K576-N580 VanDerWaalsContact O-CB 3.3Å; K576-N580 WeakPolarHBondContact O-CB 3.38Å; K576-N580 VanDerWaalsContact O-CG 3.25Å; K576-N580 PolarHBondContact O-N 3.12Å; F577-N580 PolarHBondContact O-N 2.91Å; N580-S582 VanDerWaalsContact C-N 3.27Å; N580-S582 PolarHBondContact O-N 3.46Å
581	S	89.7	Confident	94.6	Very high	23 Å²	23	25.6 Å²	25.6	16%	0.161	14%	0.142	C	C	.	.	H	α-helix	trans	-82.6	-5	-179.1	-58	0	0	0	0	112.7	F577 C583	F577-S581 WeakPolarHBondContact CE2-OG 3.42Å; F577-S581 VanDerWaalsContact O-CB 3.25Å; F577-S581 WeakPolarHBondContact O-CB 3.38Å; F577-S581 PolarHBondContact O-N 2.85Å; F577-S581 PolarHBondContact O-OG 3.32Å; S581-C583 PolarHBondContact O-N 2.98Å
582	S	90.8	Very high	94.2	Very high	45 Å²	45	31 Å²	31	32%	0.315	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	46.5	-171.3	-61.6	0	0	0	0	111.3	K439 A578 T579 N580	K439-S582 WeakPolarHBondContact CB-O 3.4Å; A578-S582 WeakPolarHBondContact O-CA 3.47Å; A578-S582 PolarHBondContact O-N 3.2Å; A578-S582 VanDerWaalsContact O-N 3.09Å; T579-S582 PolarHBondContact O-N 3.34Å; N580-S582 VanDerWaalsContact C-N 3.27Å; N580-S582 PolarHBondContact O-N 3.46Å
583	C	94.4	Very high	93.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.			trans	-124.4	133.7	-175.8	-171	0	0	0	0	108.9	G440 I542 F577 A578 S581	G440-C583 PolarHBondContact N-O 3.33Å; I542-C583 PolarHBondContact O-SG 3.26Å; F577-C583 HydrophobicContact CE1-CB 4.15Å; A578-C583 CarbonylContact C-O 3.57Å; A578-C583 WeakPolarHBondContact CA-O 3.36Å; A578-C583 VanDerWaalsContact CB-O 3.31Å; A578-C583 WeakPolarHBondContact CB-O 3.26Å; A578-C583 PolarHBondContact O-N 3.39Å; S581-C583 PolarHBondContact O-N 2.98Å
584	H	97.4	Very high	92.6	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.5	174.7	-169.6	109.4	0	0	0	109.6	H437 R438 E441 T443 N543 H544 V545 T586	H437-H584 AromaticContact CD2-CD2 3.99Å; H437-H584 AromaticContact CD2-CE1 3.91Å; H437-H584 AromaticContact CD2-CG 3.74Å; H437-H584 AromaticContact CD2-ND1 3.68Å; H437-H584 WeakPolarHBondContact CE1-CB 2.76Å; H437-H584 AromaticContact CE1-CG 3.73Å; H437-H584 WeakPolarHBondContact NE2-CB 3.16Å; H437-H584 AromaticContact NE2-CD2 3.46Å; H437-H584 PolarHBondContact NE2-CD2 3.23Å; H437-H584 AromaticContact NE2-CG 3.09Å; H437-H584 AromaticContact NE2-ND1 3.5Å; R438-H584 WeakPolarHBondContact O-CB 3.41Å; R438-H584 PolarHBondContact O-ND1 3.19Å; E441-H584 WeakPolarHBondContact O-CA 3.3Å; T443-H584 WeakPolarHBondContact CB-NE2 3.47Å; T443-H584 PolarHBondContact OG1-CE1 3.04Å; T443-H584 PolarHBondContact OG1-NE2 3.27Å; N543-H584 PolarHBondContact O-N 3.41Å; H544-H584 CarbonylContact C-O 3.6Å; H544-H584 WeakPolarHBondContact CA-O 3.37Å; H544-H584 AromaticContact CD2-CD2 3.8Å; H544-H584 AromaticContact NE2-CD2 4Å; V545-H584 PolarHBondContact N-O 2.87Å; H584-T586 PolarHBondContact CD2-OG1 3.38Å
585	V	98.3	Very high	91.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.9	175.7	-179.8	0	0	0	0	109.3	E441 L442 T443 V545 F574 F577 A578	E441-V585 PolarHBondContact O-N 2.64Å; L442-V585 WeakPolarHBondContact CA-O 3.4Å; L442-V585 HydrophobicContact CD1-CB 3.89Å; L442-V585 HydrophobicContact CD1-CG1 3.87Å; T443-V585 PolarHBondContact N-O 2.9Å; V545-V585 CarbonylContact O-C 3.55Å; V545-V585 WeakPolarHBondContact O-CA 3.38Å; F574-V585 HydrophobicContact CB-CG1 4.5Å; F577-V585 HydrophobicContact CD1-CG2 3.95Å; F577-V585 HydrophobicContact CE1-CG2 4.37Å; A578-V585 HydrophobicContact CB-CB 4.35Å; A578-V585 HydrophobicContact CB-CG2 3.81Å
586	T	98.2	Very high	90.3	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	113	170.1	-57.1	0	0	0	0	109.1	T443 I457 H544 V545 I546 I547 H584 I588	T443-T586 CarbonylContact O-C 3.59Å; T443-T586 WeakPolarHBondContact O-CA 3.33Å; I457-T586 HydrophobicContact CD1-CG2 4.19Å; I457-T586 HydrophobicContact CG2-CG2 4.32Å; H544-T586 PolarHBondContact NE2-OG1 3.48Å; V545-T586 PolarHBondContact O-N 2.97Å; I546-T586 WeakPolarHBondContact CA-O 3.28Å; I547-T586 PolarHBondContact N-O 2.91Å; H584-T586 PolarHBondContact CD2-OG1 3.38Å; T586-I588 HydrophobicContact CG2-CD1 4.48Å
587	L	97.1	Very high	89.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.6	-175.5	-175	60.6	0	0	0	110.4	L442 T443 V444 F445 I547 L550 F574 I589	L442-L587 HydrophobicContact CD1-CB 4.28Å; T443-L587 PolarHBondContact O-N 3.25Å; V444-L587 WeakPolarHBondContact CA-O 3.47Å; F445-L587 PolarHBondContact N-O 2.85Å; I547-L587 HydrophobicContact CB-CD1 3.74Å; I547-L587 HydrophobicContact CG2-CD1 3.7Å; L550-L587 HydrophobicContact CB-CD1 3.9Å; L550-L587 HydrophobicContact CB-CG 4.32Å; L550-L587 HydrophobicContact CD1-CD1 4.08Å; L550-L587 HydrophobicContact CD1-CD2 4.25Å; L550-L587 HydrophobicContact CD2-CD2 4.16Å; L550-L587 HydrophobicContact CG-CD1 4.46Å; F574-L587 HydrophobicContact CD2-CD1 4.33Å; F574-L587 HydrophobicContact CD2-CD2 4.27Å; F574-L587 HydrophobicContact CE2-CD1 4.25Å; L587-I589 HydrophobicContact CD2-CD1 4.04Å; L587-I589 HydrophobicContact CD2-CG1 4.26Å; L587-I589 HydrophobicContact CG-CD1 4.29Å; L587-I589 HydrophobicContact CG-CG1 3.98Å
588	I	96.3	Very high	88.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123.6	175.8	-62.5	79.1	0	0	0	108.8	F445 K453 I457 I546 I547 D548 N549 L550 T586	F445-I588 HydrophobicContact CD1-CG1 4.14Å; F445-I588 WeakPolarHBondContact O-CA 3.31Å; K453-I588 HydrophobicContact CD-CG2 4.07Å; I457-I588 HydrophobicContact CG1-CG1 4.47Å; I457-I588 HydrophobicContact CG2-CD1 4.44Å; I546-I588 HydrophobicContact CG2-CD1 3.55Å; I547-I588 VanDerWaalsContact O-CD1 3.24Å; I547-I588 WeakPolarHBondContact O-CD1 3.37Å; I547-I588 PolarHBondContact O-N 2.91Å; D548-I588 HydrophobicContact CB-CD1 3.88Å; D548-I588 HydrophobicContact CB-CG1 4.31Å; D548-I588 WeakPolarHBondContact OD1-CG2 3.44Å; N549-I588 HydrophobicContact CB-CB 4.41Å; N549-I588 HydrophobicContact CB-CG2 4.27Å; L550-I588 PolarHBondContact N-O 3.09Å; T586-I588 HydrophobicContact CG2-CD1 4.48Å
589	I	94.3	Very high	87.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.311	C	S	.	.			trans	-126.3	119.9	177.6	-50	-178.5	0	0	0	108.3	V444 F445 T446 L550 L587 I605 F606 A611	V444-I589 HydrophobicContact CG1-CD1 3.82Å; V444-I589 HydrophobicContact CG1-CG1 4.19Å; V444-I589 HydrophobicContact CG2-CD1 4.12Å; F445-I589 PolarHBondContact O-N 3.48Å; T446-I589 WeakPolarHBondContact CA-O 3.14Å; T446-I589 WeakPolarHBondContact CB-O 3.47Å; T446-I589 PolarHBondContact OG1-O 3.03Å; L550-I589 HydrophobicContact CB-CG1 4.16Å; L550-I589 HydrophobicContact CD2-CD1 3.75Å; L550-I589 HydrophobicContact CD2-CG1 3.84Å; L550-I589 HydrophobicContact CD2-CG2 4.41Å; L587-I589 HydrophobicContact CD2-CD1 4.04Å; L587-I589 HydrophobicContact CD2-CG1 4.26Å; L587-I589 HydrophobicContact CG-CD1 4.29Å; L587-I589 HydrophobicContact CG-CG1 3.98Å; I589-I605 HydrophobicContact CB-CG2 4.27Å; I589-I605 HydrophobicContact CD1-CG2 4.25Å; I589-I605 HydrophobicContact CG2-CG2 3.88Å; I589-F606 HydrophobicContact CG2-CB 4.4Å; I589-A611 HydrophobicContact CD1-CB 3.85Å
590	H	90.8	Very high	87.7	Confident	30 Å²	30	60.9 Å²	60.9	14%	0.139	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-61.5	144.4	170.4	-69.9	-93.3	0	0	0	111.7	K453 E477 N549 Q551 F606	K453-H590 PolarHBondContact NZ-ND1 3.38Å; E477-H590 IonicContact OE2-NE2 2.85Å; E477-H590 PolarHBondContact OE2-NE2 2.98Å; N549-H590 PolarHBondContact ND2-CD2 2.99Å; N549-H590 VanDerWaalsContact ND2-CD2 3.29Å; N549-H590 PolarHBondContact ND2-NE2 2.93Å; Q551-H590 PolarHBondContact NE2-O 3.43Å; H590-F606 WeakPolarHBondContact O-CB 3.36Å; H590-F606 PolarHBondContact O-N 3.29Å
591	P	90.1	Very high	87.7	Confident	23 Å²	23	63 Å²	63	15%	0.149	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-71	166.3	175.2	31.5	-35.6	0	0	0	111.1	G447 L600 S604	G447-P591 WeakPolarHBondContact O-CD 3.25Å; P591-L600 HydrophobicContact CB-CD1 4.07Å; P591-L600 HydrophobicContact CB-CD2 3.98Å; P591-L600 HydrophobicContact CG-CD1 3.97Å; P591-L600 HydrophobicContact CG-CD2 4.33Å; P591-S604 CarbonylContact C-O 3.37Å; P591-S604 WeakPolarHBondContact CA-O 3.33Å; P591-S604 WeakPolarHBondContact CB-O 3.45Å
592	R	86.5	Confident	87.7	Confident	114 Å²	114	64.2 Å²	64.2	43%	0.43	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-62.1	160.4	163.8	-58.5	-179	-178.8	-159.4	-0.7	109.3	E594 S604 I605 F606 G607	R592-E594 PolarHBondContact O-N 3.22Å; R592-S604 PolarHBondContact N-O 2.95Å; R592-I605 PolarHBondContact NE-O 2.64Å; R592-F606 HydrophobicContact CG-CB 4.22Å; R592-F606 HydrophobicContact CG-CD2 4.04Å; R592-G607 PolarHBondContact NH2-O 2.76Å
593	K	79.5	Confident	87.6	Confident	217 Å²	217	65.8 Å²	65.8	94%	0.943	32%	0.321	S	S	*	.			trans	-66.8	107.6	170.3	-70.8	-173.8	-179.8	-178	0	108.3
594	E	78	Confident	87.4	Confident	75 Å²	75	66.1 Å²	66.1	35%	0.35	32%	0.324	S	S	.	.			trans	-108.5	163.9	173.1	-66.8	-79.2	-170.7	0	0	108.6	R592 L600 S604	R592-E594 PolarHBondContact O-N 3.22Å; E594-L600 HydrophobicContact CB-CD2 4.25Å; E594-L600 HydrophobicContact CG-CD2 4.03Å; E594-S604 WeakPolarHBondContact OE1-CB 3.49Å; E594-S604 PolarHBondContact OE1-OG 3.12Å
595	E	75.7	Confident	87.1	Confident	119 Å²	119	66.3 Å²	66.3	56%	0.556	32%	0.324	S	S	*	.			trans	-63	135.1	171.1	-70.8	171.5	-171.4	0	0	110.3	D597 R598	E595-D597 PolarHBondContact O-N 2.91Å; E595-R598 HydrophobicContact CB-CG 4.14Å; E595-R598 VanDerWaalsContact CD-NH2 3.32Å; E595-R598 PolarHBondContact O-N 3.26Å; E595-R598 IonicContact OE1-CZ 2.88Å; E595-R598 IonicContact OE1-NH2 2.79Å; E595-R598 PolarHBondContact OE1-NH2 3.15Å; E595-R598 IonicContact OE2-CZ 3.49Å; E595-R598 IonicContact OE2-NE 2.93Å; E595-R598 PolarHBondContact OE2-NE 2.98Å; E595-R598 IonicContact OE2-NH2 2.76Å; E595-R598 PolarHBondContact OE2-NH2 2.99Å
596	D	68.3	Low	86.6	Confident	127 Å²	127	69.5 Å²	69.5	68%	0.679	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.9	-175.3	-94.3	24.5	0	0	0	114.5	K625	D596-K625 IonicContact OD2-NZ 2.78Å; D596-K625 PolarHBondContact OD2-NZ 3.41Å
597	D	70.9	Confident	86	Confident	153 Å²	153	69.4 Å²	69.4	82%	0.818	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-5.5	-177.8	-70.9	-27	0	0	0	113.7	E595	E595-D597 PolarHBondContact O-N 2.91Å
598	R	80.4	Confident	85.5	Confident	147 Å²	147	70.9 Å²	70.9	56%	0.555	35%	0.348	S	S	*	.	S	Bend	trans	-92.5	135.1	179	-67.5	-171.6	-166.7	-171.1	7	111.3	E595	E595-R598 HydrophobicContact CB-CG 4.14Å; E595-R598 VanDerWaalsContact CD-NH2 3.32Å; E595-R598 PolarHBondContact O-N 3.26Å; E595-R598 IonicContact OE1-CZ 2.88Å; E595-R598 IonicContact OE1-NH2 2.79Å; E595-R598 PolarHBondContact OE1-NH2 3.15Å; E595-R598 IonicContact OE2-CZ 3.49Å; E595-R598 IonicContact OE2-NE 2.93Å; E595-R598 PolarHBondContact OE2-NE 2.98Å; E595-R598 IonicContact OE2-NH2 2.76Å; E595-R598 PolarHBondContact OE2-NH2 2.99Å
599	E	85.1	Confident	85.2	Confident	98 Å²	98	73.5 Å²	73.5	46%	0.458	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.4	136.1	169.2	-67.5	-178.7	-172.1	0	0	110.1	K624	E599-K624 WeakPolarHBondContact OE1-CE 3.38Å; E599-K624 IonicContact OE1-NZ 2.71Å; E599-K624 PolarHBondContact OE1-NZ 3.39Å
600	L	89.8	Confident	85.1	Confident	11 Å²	11	76.3 Å²	76.3	6%	0.058	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-68.8	138.7	177.7	-65.7	179.2	0	0	0	110.1	P448 P591 E594 I620 Q622	P448-L600 HydrophobicContact CG-CD1 3.87Å; P448-L600 HydrophobicContact CG-CG 4.49Å; P591-L600 HydrophobicContact CB-CD1 4.07Å; P591-L600 HydrophobicContact CB-CD2 3.98Å; P591-L600 HydrophobicContact CG-CD1 3.97Å; P591-L600 HydrophobicContact CG-CD2 4.33Å; E594-L600 HydrophobicContact CB-CD2 4.25Å; E594-L600 HydrophobicContact CG-CD2 4.03Å; L600-I620 HydrophobicContact CB-CG2 3.81Å; L600-I620 HydrophobicContact CD1-CG2 4.23Å; L600-Q622 VanDerWaalsContact N-OE1 3.12Å; L600-Q622 PolarHBondContact O-NE2 3.29Å
601	Q	90.8	Very high	85.1	Confident	136 Å²	136	74.9 Å²	74.9	64%	0.636	38%	0.375	S	S	*	.			trans	-112.5	173.1	173	-62.9	-172.8	-7.7	0	0	110.4	A603 S604	Q601-A603 PolarHBondContact O-N 3.27Å; Q601-S604 PolarHBondContact N-OG 3.25Å; Q601-S604 VanDerWaalsContact N-OG 3.12Å; Q601-S604 WeakPolarHBondContact O-CA 3.33Å; Q601-S604 VanDerWaalsContact O-CB 3.25Å; Q601-S604 WeakPolarHBondContact O-CB 3.49Å; Q601-S604 PolarHBondContact O-N 3.05Å
602	T	89	Confident	85.3	Confident	47 Å²	47	74.9 Å²	74.9	29%	0.288	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-56.8	-33.8	173.9	-50.4	0	0	0	0	111.8	S604 I605 S612 T638	T602-S604 PolarHBondContact O-N 3.11Å; T602-I605 HydrophobicContact CG2-CD1 4.33Å; T602-I605 WeakPolarHBondContact O-CD1 3.44Å; T602-I605 WeakPolarHBondContact O-CG1 3.29Å; T602-I605 PolarHBondContact O-N 3.43Å; T602-S612 VanDerWaalsContact CG2-CB 3.46Å; T602-T638 WeakPolarHBondContact OG1-CB 3.13Å; T602-T638 PolarHBondContact OG1-OG1 3.19Å
603	A	88.2	Confident	85.7	Confident	79 Å²	79	75.5 Å²	75.5	65%	0.653	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-69.4	-17.4	174.8	0	0	0	0	0	114	Q601 I605	Q601-A603 PolarHBondContact O-N 3.27Å; A603-I605 PolarHBondContact O-N 3.48Å
604	S	91	Very high	86.4	Confident	7 Å²	7	68.6 Å²	68.6	5%	0.049	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-78.8	-6.2	178.7	-54.6	0	0	0	0	113	P591 R592 E594 Q601 T602 F606	P591-S604 CarbonylContact C-O 3.37Å; P591-S604 WeakPolarHBondContact CA-O 3.33Å; P591-S604 WeakPolarHBondContact CB-O 3.45Å; R592-S604 PolarHBondContact N-O 2.95Å; E594-S604 WeakPolarHBondContact OE1-CB 3.49Å; E594-S604 PolarHBondContact OE1-OG 3.12Å; Q601-S604 PolarHBondContact N-OG 3.25Å; Q601-S604 VanDerWaalsContact N-OG 3.12Å; Q601-S604 WeakPolarHBondContact O-CA 3.33Å; Q601-S604 VanDerWaalsContact O-CB 3.25Å; Q601-S604 WeakPolarHBondContact O-CB 3.49Å; Q601-S604 PolarHBondContact O-N 3.05Å; T602-S604 PolarHBondContact O-N 3.11Å; S604-F606 PolarHBondContact O-N 2.98Å
605	I	91.3	Very high	87.3	Confident	6 Å²	6	65 Å²	65	3%	0.031	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-62	131.2	173.9	-62.8	168.3	0	0	0	109.1	V444 T446 I589 R592 T602 A603 G607 A611 V618	V444-I605 HydrophobicContact CG1-CD1 4.11Å; T446-I605 HydrophobicContact CG2-CG1 3.94Å; I589-I605 HydrophobicContact CB-CG2 4.27Å; I589-I605 HydrophobicContact CD1-CG2 4.25Å; I589-I605 HydrophobicContact CG2-CG2 3.88Å; R592-I605 PolarHBondContact NE-O 2.64Å; T602-I605 HydrophobicContact CG2-CD1 4.33Å; T602-I605 WeakPolarHBondContact O-CD1 3.44Å; T602-I605 WeakPolarHBondContact O-CG1 3.29Å; T602-I605 PolarHBondContact O-N 3.43Å; A603-I605 PolarHBondContact O-N 3.48Å; I605-G607 PolarHBondContact O-N 3.46Å; I605-A611 HydrophobicContact CG2-CB 4.21Å; I605-V618 HydrophobicContact CD1-CG1 3.8Å
606	F	88.3	Confident	88.4	Confident	68 Å²	68	59.6 Å²	59.6	30%	0.298	31%	0.313	S	S	.	.	S	Bend	trans	-65.8	135.4	176.4	-175.6	-94.7	0	0	0	110.7	M554 F564 Q567 I589 H590 R592 S604	M554-F606 HydrophobicContact CE-CE1 4.3Å; F564-F606 HydrophobicContact CE1-CZ 4.5Å; Q567-F606 PolarHBondContact NE2-O 2.62Å; I589-F606 HydrophobicContact CG2-CB 4.4Å; H590-F606 WeakPolarHBondContact O-CB 3.36Å; H590-F606 PolarHBondContact O-N 3.29Å; R592-F606 HydrophobicContact CG-CB 4.22Å; R592-F606 HydrophobicContact CG-CD2 4.04Å; S604-F606 PolarHBondContact O-N 2.98Å
607	G	85.8	Confident	89.8	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	28%	0.281	C	S	.	.	S	Bend	trans	111.6	-170.4	-177.8	0	0	0	0	0	114.5	R592 I605	R592-G607 PolarHBondContact NH2-O 2.76Å; I605-G607 PolarHBondContact O-N 3.46Å
608	S	84.8	Confident	91	Very high	31 Å²	31	46.4 Å²	46.4	22%	0.217	24%	0.242	C	C	.	.			trans	-70.3	173.2	171.5	92.4	0	0	0	0	111.2	D568 K610	D568-S608 VanDerWaalsContact OD1-CB 3.29Å; D568-S608 WeakPolarHBondContact OD1-CB 3.25Å; D568-S608 PolarHBondContact OD1-OG 3.44Å; D568-S608 PolarHBondContact OD2-OG 3.45Å; D568-S608 VanDerWaalsContact OD2-OG 3.05Å; S608-K610 PolarHBondContact O-N 2.82Å; S608-K610 VanDerWaalsContact O-N 3.16Å; S608-K610 WeakPolarHBondContact OG-CB 3.5Å; S608-K610 PolarHBondContact OG-N 3.36Å
609	A	89.9	Confident	91.8	Very high	54 Å²	54	39.5 Å²	39.5	45%	0.446	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.3	173.2	0	0	0	0	0	113.5	A611 S612 Q613	A609-A611 VanDerWaalsContact C-N 3.26Å; A609-A611 PolarHBondContact O-N 3.16Å; A609-S612 PolarHBondContact O-N 2.6Å; A609-S612 PolarHBondContact O-OG 3.12Å; A609-Q613 WeakPolarHBondContact O-CG 3.37Å; A609-Q613 PolarHBondContact O-N 2.94Å
610	K	92.1	Very high	92.4	Very high	59 Å²	59	34.9 Å²	34.9	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-56.6	-37	-174.4	-165.3	174.4	-172.4	-177.5	0	113	D568 I571 S608 S612 Q613 E614	D568-K610 HydrophobicContact CB-CD 3.49Å; D568-K610 VanDerWaalsContact CB-CD 3.49Å; D568-K610 WeakPolarHBondContact O-CD 3.18Å; D568-K610 WeakPolarHBondContact O-CE 3.42Å; D568-K610 PolarHBondContact O-NZ 2.74Å; D568-K610 WeakPolarHBondContact OD1-CB 3.46Å; I571-K610 HydrophobicContact CG2-CG 4.49Å; S608-K610 PolarHBondContact O-N 2.82Å; S608-K610 VanDerWaalsContact O-N 3.16Å; S608-K610 WeakPolarHBondContact OG-CB 3.5Å; S608-K610 PolarHBondContact OG-N 3.36Å; K610-S612 VanDerWaalsContact C-N 3.34Å; K610-S612 PolarHBondContact O-N 3.04Å; K610-Q613 PolarHBondContact O-N 3.13Å; K610-E614 HydrophobicContact CG-CG 3.75Å; K610-E614 WeakPolarHBondContact O-CB 3.5Å; K610-E614 WeakPolarHBondContact O-CG 3.18Å; K610-E614 PolarHBondContact O-N 3.06Å
611	A	92.6	Very high	92.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.5	-49.8	176	0	0	0	0	0	111.7	I571 I589 I605 A609 A615	I571-A611 HydrophobicContact CD1-CB 3.59Å; I571-A611 HydrophobicContact CG1-CB 4.42Å; I589-A611 HydrophobicContact CD1-CB 3.85Å; I605-A611 HydrophobicContact CG2-CB 4.21Å; A609-A611 VanDerWaalsContact C-N 3.26Å; A609-A611 PolarHBondContact O-N 3.16Å; A611-A615 WeakPolarHBondContact O-CB 3.45Å; A611-A615 PolarHBondContact O-N 2.84Å; A611-A615 VanDerWaalsContact O-N 3.15Å
612	S	93.6	Very high	92.7	Very high	23 Å²	23	28.2 Å²	28.2	16%	0.161	16%	0.163	C	C	.	.	H	α-helix	trans	-72.6	-28.1	-179.8	67.9	0	0	0	0	113.3	T602 A609 K610 K639	T602-S612 VanDerWaalsContact CG2-CB 3.46Å; A609-S612 PolarHBondContact O-N 2.6Å; A609-S612 PolarHBondContact O-OG 3.12Å; K610-S612 VanDerWaalsContact C-N 3.34Å; K610-S612 PolarHBondContact O-N 3.04Å; S612-K639 WeakPolarHBondContact O-CD 3.37Å; S612-K639 PolarHBondContact O-NZ 2.97Å
613	Q	93.9	Very high	92.5	Very high	127 Å²	127	28.3 Å²	28.3	59%	0.593	16%	0.161	S	C	*	.	H	α-helix	trans	-76.7	-46.3	179.1	-70.3	173.4	-4.4	0	0	112	A609 K610 K639	A609-Q613 WeakPolarHBondContact O-CG 3.37Å; A609-Q613 PolarHBondContact O-N 2.94Å; K610-Q613 PolarHBondContact O-N 3.13Å; Q613-K639 PolarHBondContact O-NZ 3.28Å
614	E	95.3	Very high	92	Very high	72 Å²	72	29.1 Å²	29.1	34%	0.336	15%	0.149	S	C	.	.	H	α-helix	trans	-77	-26.6	-178.3	-67.3	-65.1	163.5	0	0	113.2	I571 R575 K610	I571-E614 HydrophobicContact CG2-CB 3.85Å; I571-E614 HydrophobicContact CG2-CG 4.12Å; R575-E614 WeakPolarHBondContact CD-O 3.36Å; R575-E614 PolarHBondContact NH1-O 3.1Å; K610-E614 HydrophobicContact CG-CG 3.75Å; K610-E614 WeakPolarHBondContact O-CB 3.5Å; K610-E614 WeakPolarHBondContact O-CG 3.18Å; K610-E614 PolarHBondContact O-N 3.06Å
615	A	96.6	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.			trans	-65.9	140.5	175.8	0	0	0	0	0	111.7	L442 V444 A611 V618 K639	L442-A615 HydrophobicContact CG-CB 4.47Å; L442-A615 CarbonylContact O-C 3.56Å; L442-A615 WeakPolarHBondContact O-CA 3.42Å; V444-A615 HydrophobicContact CB-CB 4.09Å; V444-A615 HydrophobicContact CG2-CB 3.68Å; A611-A615 WeakPolarHBondContact O-CB 3.45Å; A611-A615 PolarHBondContact O-N 2.84Å; A611-A615 VanDerWaalsContact O-N 3.15Å; A615-V618 HydrophobicContact CB-CG2 3.98Å; A615-K639 VanDerWaalsContact O-CE 3.27Å; A615-K639 WeakPolarHBondContact O-CE 3.48Å; A615-K639 PolarHBondContact O-NZ 3.2Å
616	D	97.8	Very high	89.4	Confident	6 Å²	6	39.1 Å²	39.1	3%	0.032	20%	0.196	C	C	.	.	S	Bend	trans	-76.6	-38.9	168.8	-59.2	-63.3	0	0	0	110.7	E441 L442 R575 R641	E441-D616 WeakPolarHBondContact CA-OD2 3.41Å; E441-D616 HydrophobicContact CB-CB 4.12Å; E441-D616 HydrophobicContact CG-CB 4.17Å; L442-D616 PolarHBondContact N-OD2 2.52Å; L442-D616 PolarHBondContact O-N 3.25Å; R575-D616 IonicContact CZ-OD1 3.89Å; R575-D616 VanDerWaalsContact CZ-OD1 3.31Å; R575-D616 IonicContact CZ-OD2 3.28Å; R575-D616 IonicContact NH1-OD1 3.19Å; R575-D616 PolarHBondContact NH1-OD1 3.32Å; R575-D616 IonicContact NH1-OD2 3Å; R575-D616 PolarHBondContact NH1-OD2 3.12Å; R575-D616 IonicContact NH2-OD1 3.19Å; R575-D616 PolarHBondContact NH2-OD1 3.05Å; R575-D616 IonicContact NH2-OD2 3.06Å; R575-D616 PolarHBondContact NH2-OD2 3.08Å; D616-R641 HydrophobicContact CB-CB 4.06Å; D616-R641 WeakPolarHBondContact O-CB 3.43Å; D616-R641 PolarHBondContact O-N 3.2Å; D616-R641 WeakPolarHBondContact OD1-CD 3.09Å; D616-R641 IonicContact OD1-NH1 3.64Å
617	N	97.8	Very high	88	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.2	-179.3	-48.1	-56.1	0	0	0	110.5	L434 E441 L442 T443 V444 K639	L434-N617 HydrophobicContact CD2-CB 4.29Å; E441-N617 PolarHBondContact OE2-ND2 2.9Å; L442-N617 PolarHBondContact O-N 3.35Å; T443-N617 WeakPolarHBondContact CA-O 3.43Å; T443-N617 HydrophobicContact CG2-CB 4.05Å; T443-N617 PolarHBondContact OG1-ND2 3.35Å; T443-N617 VanDerWaalsContact OG1-ND2 3.16Å; V444-N617 PolarHBondContact N-O 2.92Å; N617-K639 VanDerWaalsContact CA-O 3.3Å; N617-K639 WeakPolarHBondContact CA-O 3.5Å
618	V	97.9	Very high	86.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117	173.9	-178.2	0	0	0	0	109.4	V444 I605 A615 T638 K639	V444-V618 WeakPolarHBondContact O-CA 3.45Å; I605-V618 HydrophobicContact CD1-CG1 3.8Å; A615-V618 HydrophobicContact CB-CG2 3.98Å; V618-T638 WeakPolarHBondContact CB-OG1 3.41Å; V618-T638 VanDerWaalsContact CG1-OG1 3.24Å; V618-T638 WeakPolarHBondContact CG1-OG1 3.32Å; V618-T638 PolarHBondContact O-N 2.81Å; V618-T638 PolarHBondContact O-OG1 2.95Å; V618-K639 HydrophobicContact CB-CB 3.82Å; V618-K639 HydrophobicContact CG2-CB 3.82Å; V618-K639 HydrophobicContact CG2-CD 4.04Å; V618-K639 PolarHBondContact N-O 3.46Å; V618-K639 PolarHBondContact O-N 3.04Å
619	L	97.3	Very high	84.8	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.7	-175.7	-61.7	-175.7	0	0	0	110.1	L430 L434 T443 V444 F445 T446 Q636 V637	L430-L619 HydrophobicContact CD1-CD2 4.4Å; L434-L619 HydrophobicContact CD1-CD2 4.31Å; T443-L619 HydrophobicContact CG2-CD1 3.83Å; T443-L619 HydrophobicContact CG2-CG 4.03Å; V444-L619 PolarHBondContact O-N 3.49Å; F445-L619 WeakPolarHBondContact CA-O 3.32Å; F445-L619 HydrophobicContact CD2-CB 3.62Å; F445-L619 WeakPolarHBondContact CD2-O 3.29Å; F445-L619 HydrophobicContact CE2-CB 4.34Å; T446-L619 PolarHBondContact N-O 3.29Å; L619-Q636 CarbonylContact C-O 3.56Å; L619-Q636 WeakPolarHBondContact CA-O 3.25Å; L619-V637 HydrophobicContact CD2-CB 4.05Å; L619-V637 HydrophobicContact CD2-CG1 3.97Å; L619-V637 HydrophobicContact CD2-CG2 3.61Å
620	I	96.4	Very high	83.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.8	179.5	-49.9	-173.2	0	0	0	109	T446 L600 Q622 Q636 T638	T446-I620 HydrophobicContact CG2-CB 4.28Å; T446-I620 HydrophobicContact CG2-CD1 4.4Å; T446-I620 HydrophobicContact CG2-CG1 3.82Å; T446-I620 HydrophobicContact CG2-CG2 4.11Å; T446-I620 CarbonylContact O-C 3.38Å; T446-I620 WeakPolarHBondContact O-CA 3.49Å; L600-I620 HydrophobicContact CB-CG2 3.81Å; L600-I620 HydrophobicContact CD1-CG2 4.23Å; I620-Q622 HydrophobicContact CG2-CG 4.25Å; I620-Q622 PolarHBondContact O-N 3.43Å; I620-Q636 HydrophobicContact CB-CB 4.39Å; I620-Q636 PolarHBondContact N-O 3.32Å; I620-Q636 PolarHBondContact O-N 3.4Å; I620-T638 HydrophobicContact CD1-CG2 3.58Å; I620-T638 HydrophobicContact CG1-CG2 4.02Å
621	L	94.7	Very high	82	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	105.1	168.1	-175.6	62.7	0	0	0	108.9	F445 T446 G447 P448 S451 L651	F445-L621 HydrophobicContact CE2-CB 3.89Å; F445-L621 HydrophobicContact CZ-CB 3.7Å; F445-L621 HydrophobicContact CZ-CD2 4.22Å; T446-L621 PolarHBondContact O-N 3.16Å; G447-L621 WeakPolarHBondContact CA-O 3.38Å; P448-L621 WeakPolarHBondContact CD-O 3.45Å; S451-L621 WeakPolarHBondContact O-CD2 3.33Å; L621-L651 HydrophobicContact CD1-CD1 4.01Å
622	Q	91.4	Very high	81.3	Confident	7 Å²	7	59.3 Å²	59.3	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141	177.2	-59.6	-71	-1.1	0	0	110	L600 I620 R633 S634 Q636	L600-Q622 VanDerWaalsContact N-OE1 3.12Å; L600-Q622 PolarHBondContact O-NE2 3.29Å; I620-Q622 HydrophobicContact CG2-CG 4.25Å; I620-Q622 PolarHBondContact O-N 3.43Å; Q622-R633 WeakPolarHBondContact O-CA 3.39Å; Q622-S634 PolarHBondContact N-O 3.42Å; Q622-S634 PolarHBondContact O-N 2.76Å; Q622-Q636 HydrophobicContact CG-CB 4.33Å
623	E	85.4	Confident	81	Confident	49 Å²	49	60.5 Å²	60.5	23%	0.229	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	107.3	172.5	-177.3	165	-136.2	0	0	109.1	S451 R633	S451-E623 WeakPolarHBondContact CA-OE2 3.47Å; E623-R633 IonicContact OE1-CZ 3.33Å; E623-R633 IonicContact OE1-NE 3.56Å; E623-R633 PolarHBondContact OE1-NE 3.19Å; E623-R633 IonicContact OE1-NH2 2.88Å; E623-R633 PolarHBondContact OE1-NH2 2.87Å
624	K	77.9	Confident	81	Confident	96 Å²	96	55 Å²	55	42%	0.417	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	107.4	173.6	-69.8	-171.9	179.3	-168	0	109.4	E599 L626 G631 R632	E599-K624 WeakPolarHBondContact OE1-CE 3.38Å; E599-K624 IonicContact OE1-NZ 2.71Å; E599-K624 PolarHBondContact OE1-NZ 3.39Å; K624-L626 PolarHBondContact O-N 2.66Å; K624-G631 CarbonylContact O-C 3.49Å; K624-G631 WeakPolarHBondContact O-CA 3.37Å; K624-R632 PolarHBondContact N-O 2.78Å; K624-R632 PolarHBondContact O-N 3.06Å
625	K	67	Low	81	Confident	131 Å²	131	51.6 Å²	51.6	57%	0.57	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	116.8	171	-63.7	179.1	-173.8	172.3	0	108.3	D596	D596-K625 IonicContact OD2-NZ 2.78Å; D596-K625 PolarHBondContact OD2-NZ 3.41Å
626	L	61.7	Low	80.9	Confident	92 Å²	92	54 Å²	54	48%	0.482	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.7	172.4	-68.9	172.3	0	0	0	108.4	K624 T628 C629	K624-L626 PolarHBondContact O-N 2.66Å; L626-T628 PolarHBondContact O-N 3.48Å; L626-T628 VanDerWaalsContact O-N 3.1Å; L626-C629 HydrophobicContact CB-CB 4.13Å; L626-C629 HydrophobicContact CD1-CB 4.22Å; L626-C629 PolarHBondContact O-N 2.81Å; L626-C629 VanDerWaalsContact O-O 3.05Å
627	V	58.1	Low	80.9	Confident	152 Å²	152	53.8 Å²	53.8	92%	0.921	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.7	-175.7	-177.4	0	0	0	0	112.7
628	T	51	Low	80.8	Confident	130 Å²	130	55.2 Å²	55.2	80%	0.798	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	3	-171.4	52.5	0	0	0	0	114.3	L626	L626-T628 PolarHBondContact O-N 3.48Å; L626-T628 VanDerWaalsContact O-N 3.1Å
629	C	52.4	Low	80.8	Confident	66 Å²	66	58 Å²	58	45%	0.446	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155	-175.1	-46.8	0	0	0	0	111.2	L626 G631	L626-C629 HydrophobicContact CB-CB 4.13Å; L626-C629 HydrophobicContact CD1-CB 4.22Å; L626-C629 PolarHBondContact O-N 2.81Å; L626-C629 VanDerWaalsContact O-O 3.05Å; C629-G631 PolarHBondContact O-N 3.21Å
630	P	59.3	Low	80.8	Confident	125 Å²	125	58.2 Å²	58.2	81%	0.812	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.7	132.1	165.4	-19.3	30.1	0	0	0	109.4	R632	P630-R632 PolarHBondContact O-N 2.95Å
631	G	63.8	Low	80.7	Confident	28 Å²	28	66 Å²	66	29%	0.289	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	136.8	-174.5	0	0	0	0	0	112.1	K624 C629	K624-G631 CarbonylContact O-C 3.49Å; K624-G631 WeakPolarHBondContact O-CA 3.37Å; C629-G631 PolarHBondContact O-N 3.21Å
632	R	77.6	Confident	80.7	Confident	136 Å²	136	70.1 Å²	70.1	51%	0.513	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.9	-179.9	-165.6	174	-171.9	175.1	1.6	108.6	K624 P630	K624-R632 PolarHBondContact N-O 2.78Å; K624-R632 PolarHBondContact O-N 3.06Å; P630-R632 PolarHBondContact O-N 2.95Å
633	R	88.3	Confident	80.8	Confident	48 Å²	48	73.1 Å²	73.1	18%	0.181	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	145.9	176.1	-65.9	176.2	-174.7	146.1	-0.2	109.7	S451 Q622 E623 L651 F653	S451-R633 PolarHBondContact O-NE 3.26Å; Q622-R633 WeakPolarHBondContact O-CA 3.39Å; E623-R633 IonicContact OE1-CZ 3.33Å; E623-R633 IonicContact OE1-NE 3.56Å; E623-R633 PolarHBondContact OE1-NE 3.19Å; E623-R633 IonicContact OE1-NH2 2.88Å; E623-R633 PolarHBondContact OE1-NH2 2.87Å; R633-L651 HydrophobicContact CB-CB 4.34Å; R633-L651 PolarHBondContact O-N 3.23Å; R633-F653 VanDerWaalsContact NH1-CB 3.27Å; R633-F653 VanDerWaalsContact NH1-CG 3.34Å
634	S	92.6	Very high	81.2	Confident	13 Å²	13	73.1 Å²	73.1	9%	0.091	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.9	173.3	50.2	0	0	0	0	109.8	Q622 F649	Q622-S634 PolarHBondContact N-O 3.42Å; Q622-S634 PolarHBondContact O-N 2.76Å; S634-F649 CarbonylContact C-O 3.54Å; S634-F649 VanDerWaalsContact CA-O 3.25Å; S634-F649 WeakPolarHBondContact CA-O 2.96Å; S634-F649 WeakPolarHBondContact CB-O 3.49Å
635	L	94.9	Very high	82	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.9	171.1	-167.4	73.4	0	0	0	108.9	L430 F445 F456 I648 F649 L651	L430-L635 HydrophobicContact CD1-CD2 4.02Å; F445-L635 HydrophobicContact CE2-CD1 3.71Å; F456-L635 HydrophobicContact CD1-CD1 4.49Å; F456-L635 HydrophobicContact CE1-CD1 3.88Å; F456-L635 HydrophobicContact CE1-CD2 4.04Å; F456-L635 HydrophobicContact CZ-CD1 4.06Å; F456-L635 HydrophobicContact CZ-CD2 3.63Å; F456-L635 HydrophobicContact CZ-CG 4.39Å; L635-I648 WeakPolarHBondContact O-CA 3.32Å; L635-F649 HydrophobicContact CB-CD2 4.46Å; L635-F649 HydrophobicContact CB-CE1 4.19Å; L635-F649 HydrophobicContact CB-CE2 3.99Å; L635-F649 HydrophobicContact CB-CZ 3.85Å; L635-F649 HydrophobicContact CD2-CE1 3.95Å; L635-F649 HydrophobicContact CD2-CE2 4.17Å; L635-F649 HydrophobicContact CD2-CZ 3.42Å; L635-F649 VanDerWaalsContact CD2-CZ 3.42Å; L635-F649 HydrophobicContact CG-CE1 4.47Å; L635-F649 HydrophobicContact CG-CZ 4.18Å; L635-F649 PolarHBondContact N-O 3.49Å; L635-F649 PolarHBondContact O-N 2.82Å; L635-L651 HydrophobicContact CB-CD1 3.91Å; L635-L651 HydrophobicContact CB-CG 4.38Å
636	Q	95.8	Very high	83.4	Confident	49 Å²	49	70 Å²	70	23%	0.229	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.5	175.7	-175.6	-178.1	9.5	0	0	109.7	L619 I620 Q622 T638 G647 I648	L619-Q636 CarbonylContact C-O 3.56Å; L619-Q636 WeakPolarHBondContact CA-O 3.25Å; I620-Q636 HydrophobicContact CB-CB 4.39Å; I620-Q636 PolarHBondContact N-O 3.32Å; I620-Q636 PolarHBondContact O-N 3.4Å; Q622-Q636 HydrophobicContact CG-CB 4.33Å; Q636-T638 HydrophobicContact CG-CG2 3.83Å; Q636-G647 CarbonylContact C-O 3.54Å; Q636-G647 WeakPolarHBondContact CA-O 3.21Å; Q636-I648 HydrophobicContact CB-CB 4.36Å; Q636-I648 HydrophobicContact CB-CD1 4.31Å; Q636-I648 HydrophobicContact CB-CG1 4.16Å; Q636-I648 HydrophobicContact CG-CB 4.31Å
637	V	97.2	Very high	85	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.2	167.8	-171.8	0	0	0	0	107.3	L430 I433 L434 L619 N640 V646 G647	L430-V637 HydrophobicContact CD1-CG2 4.11Å; I433-V637 HydrophobicContact CB-CG2 4.28Å; I433-V637 HydrophobicContact CD1-CB 4.45Å; I433-V637 HydrophobicContact CD1-CG2 3.87Å; I433-V637 HydrophobicContact CG2-CB 3.84Å; I433-V637 HydrophobicContact CG2-CG1 3.79Å; I433-V637 HydrophobicContact CG2-CG2 3.85Å; L434-V637 HydrophobicContact CD2-CG1 3.81Å; L619-V637 HydrophobicContact CD2-CB 4.05Å; L619-V637 HydrophobicContact CD2-CG1 3.97Å; L619-V637 HydrophobicContact CD2-CG2 3.61Å; V637-N640 HydrophobicContact CG1-CB 4.36Å; V637-V646 WeakPolarHBondContact O-CB 3.24Å; V637-G647 PolarHBondContact N-O 3.34Å; V637-G647 PolarHBondContact O-N 3.33Å; V637-G647 VanDerWaalsContact O-N 3.17Å
638	T	96.6	Very high	86.7	Confident	33 Å²	33	63.7 Å²	63.7	20%	0.202	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-18.4	-179.9	57.7	0	0	0	0	113.1	T602 V618 I620 Q636	T602-T638 WeakPolarHBondContact OG1-CB 3.13Å; T602-T638 PolarHBondContact OG1-OG1 3.19Å; V618-T638 WeakPolarHBondContact CB-OG1 3.41Å; V618-T638 VanDerWaalsContact CG1-OG1 3.24Å; V618-T638 WeakPolarHBondContact CG1-OG1 3.32Å; V618-T638 PolarHBondContact O-N 2.81Å; V618-T638 PolarHBondContact O-OG1 2.95Å; I620-T638 HydrophobicContact CD1-CG2 3.58Å; I620-T638 HydrophobicContact CG1-CG2 4.02Å; Q636-T638 HydrophobicContact CG-CG2 3.83Å
639	K	96.9	Very high	88.7	Confident	59 Å²	59	57.9 Å²	57.9	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.3	175.2	-169.8	-175.7	-174.9	-174.4	0	109.9	S612 Q613 A615 N617 V618	S612-K639 WeakPolarHBondContact O-CD 3.37Å; S612-K639 PolarHBondContact O-NZ 2.97Å; Q613-K639 PolarHBondContact O-NZ 3.28Å; A615-K639 VanDerWaalsContact O-CE 3.27Å; A615-K639 WeakPolarHBondContact O-CE 3.48Å; A615-K639 PolarHBondContact O-NZ 3.2Å; N617-K639 VanDerWaalsContact CA-O 3.3Å; N617-K639 WeakPolarHBondContact CA-O 3.5Å; V618-K639 HydrophobicContact CB-CB 3.82Å; V618-K639 HydrophobicContact CG2-CB 3.82Å; V618-K639 HydrophobicContact CG2-CD 4.04Å; V618-K639 PolarHBondContact N-O 3.46Å; V618-K639 PolarHBondContact O-N 3.04Å
640	N	96.8	Very high	90.5	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	104	173.8	171.7	7.5	0	0	0	107.7	I433 L434 V637 F642 D643 G644 D645	I433-N640 PolarHBondContact O-ND2 3.03Å; L434-N640 HydrophobicContact CD2-CB 3.9Å; V637-N640 HydrophobicContact CG1-CB 4.36Å; N640-F642 VanDerWaalsContact C-N 3.34Å; N640-F642 PolarHBondContact OD1-N 2.89Å; N640-D643 PolarHBondContact OD1-N 3Å; N640-G644 VanDerWaalsContact O-CA 3.23Å; N640-G644 WeakPolarHBondContact O-CA 3.42Å; N640-G644 PolarHBondContact O-N 2.96Å; N640-D645 WeakPolarHBondContact CB-O 3.29Å; N640-D645 PolarHBondContact ND2-O 3.3Å; N640-D645 VanDerWaalsContact ND2-O 3.13Å
641	R	95.2	Very high	92.1	Very high	164 Å²	164	51.1 Å²	51.1	62%	0.619	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-28.5	-176	-168.4	177.2	-165.1	167.9	4.6	113.2	D616	D616-R641 HydrophobicContact CB-CB 4.06Å; D616-R641 WeakPolarHBondContact O-CB 3.43Å; D616-R641 PolarHBondContact O-N 3.2Å; D616-R641 WeakPolarHBondContact OD1-CD 3.09Å; D616-R641 IonicContact OD1-NH1 3.64Å
642	F	94.5	Very high	93.3	Very high	85 Å²	85	53.1 Å²	53.1	37%	0.373	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-53.9	-173.2	178.2	-102.4	0	0	0	111.9	V419 K435 R438 N640	V419-F642 HydrophobicContact CG1-CE2 4.09Å; V419-F642 HydrophobicContact CG1-CZ 4.19Å; K435-F642 HydrophobicContact CB-CD1 4.31Å; K435-F642 HydrophobicContact CB-CE1 4.09Å; K435-F642 HydrophobicContact CG-CD1 4.11Å; K435-F642 HydrophobicContact CG-CE1 4.01Å; R438-F642 VanDerWaalsContact CZ-CG 3.44Å; R438-F642 VanDerWaalsContact NH2-CB 3.32Å; N640-F642 VanDerWaalsContact C-N 3.34Å; N640-F642 PolarHBondContact OD1-N 2.89Å
643	D	92.9	Very high	93.9	Very high	70 Å²	70	49.7 Å²	49.7	37%	0.374	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-21.3	-175.3	-166.6	72.4	0	0	0	113.4	K435 N640 D645	K435-D643 WeakPolarHBondContact CE-OD1 3.29Å; K435-D643 WeakPolarHBondContact CE-OD2 3.38Å; K435-D643 HydrophobicContact CG-CB 4.16Å; K435-D643 IonicContact NZ-OD1 3.06Å; K435-D643 IonicContact NZ-OD2 2.82Å; K435-D643 PolarHBondContact NZ-OD2 3.46Å; N640-D643 PolarHBondContact OD1-N 3Å; D643-D645 PolarHBondContact O-N 3.02Å; D643-D645 WeakPolarHBondContact OD2-CB 3.49Å
644	G	93.9	Very high	94	Very high	49 Å²	49	50.5 Å²	50.5	51%	0.505	27%	0.269	S	S	.	.			trans	83.2	-15.1	-175.4	0	0	0	0	0	114.5	N640 V646	N640-G644 VanDerWaalsContact O-CA 3.23Å; N640-G644 WeakPolarHBondContact O-CA 3.42Å; N640-G644 PolarHBondContact O-N 2.96Å; G644-V646 PolarHBondContact O-N 3.29Å
645	D	95.5	Very high	93.9	Very high	70 Å²	70	57.4 Å²	57.4	37%	0.374	30%	0.298	S	S	.	.			trans	-63	132.2	176.7	-84.6	-9.4	0	0	0	111.7	I433 K435 N640 D643	I433-D645 HydrophobicContact CG2-CB 4.18Å; I433-D645 WeakPolarHBondContact CG2-O 3.4Å; K435-D645 IonicContact NZ-OD2 2.96Å; K435-D645 PolarHBondContact NZ-OD2 3.49Å; K435-D645 VanDerWaalsContact NZ-OD2 3.16Å; N640-D645 WeakPolarHBondContact CB-O 3.29Å; N640-D645 PolarHBondContact ND2-O 3.3Å; N640-D645 VanDerWaalsContact ND2-O 3.13Å; D643-D645 PolarHBondContact O-N 3.02Å; D643-D645 WeakPolarHBondContact OD2-CB 3.49Å
646	V	96.5	Very high	93.6	Very high	91 Å²	91	60.7 Å²	60.7	55%	0.552	32%	0.321	S	S	*	.			trans	-126.3	157.1	174.1	-65.7	0	0	0	0	110	V637 G644	V637-V646 WeakPolarHBondContact O-CB 3.24Å; G644-V646 PolarHBondContact O-N 3.29Å
647	G	94.3	Very high	93.4	Very high	22 Å²	22	58.7 Å²	58.7	23%	0.227	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.7	173.9	-178.5	0	0	0	0	0	114.5	Q636 V637	Q636-G647 CarbonylContact C-O 3.54Å; Q636-G647 WeakPolarHBondContact CA-O 3.21Å; V637-G647 PolarHBondContact N-O 3.34Å; V637-G647 PolarHBondContact O-N 3.33Å; V637-G647 VanDerWaalsContact O-N 3.17Å
648	I	94.2	Very high	93.1	Very high	91 Å²	91	60.4 Å²	60.4	47%	0.467	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.8	179	-173	169.6	0	0	0	109.6	L635 Q636	L635-I648 WeakPolarHBondContact O-CA 3.32Å; Q636-I648 HydrophobicContact CB-CB 4.36Å; Q636-I648 HydrophobicContact CB-CD1 4.31Å; Q636-I648 HydrophobicContact CB-CG1 4.16Å; Q636-I648 HydrophobicContact CG-CB 4.31Å
649	F	92.6	Very high	93	Very high	7 Å²	7	59 Å²	59	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.7	173.5	58.8	-89.8	0	0	0	111.5	E429 L430 I433 S634 L635 L651	E429-F649 HydrophobicContact CB-CB 4.19Å; E429-F649 HydrophobicContact CB-CD1 3.9Å; E429-F649 HydrophobicContact CB-CD2 3.97Å; E429-F649 HydrophobicContact CB-CE1 4.18Å; E429-F649 HydrophobicContact CB-CE2 4.23Å; E429-F649 HydrophobicContact CB-CG 3.77Å; E429-F649 HydrophobicContact CB-CZ 4.32Å; E429-F649 HydrophobicContact CG-CB 4.34Å; E429-F649 HydrophobicContact CG-CG 4.41Å; L430-F649 HydrophobicContact CB-CE1 4.45Å; L430-F649 HydrophobicContact CB-CZ 4.04Å; L430-F649 HydrophobicContact CD1-CE1 4.31Å; L430-F649 HydrophobicContact CD1-CZ 4.29Å; I433-F649 HydrophobicContact CD1-CD1 4.08Å; I433-F649 HydrophobicContact CD1-CE1 4.23Å; S634-F649 CarbonylContact C-O 3.54Å; S634-F649 VanDerWaalsContact CA-O 3.25Å; S634-F649 WeakPolarHBondContact CA-O 2.96Å; S634-F649 WeakPolarHBondContact CB-O 3.49Å; L635-F649 HydrophobicContact CB-CD2 4.46Å; L635-F649 HydrophobicContact CB-CE1 4.19Å; L635-F649 HydrophobicContact CB-CE2 3.99Å; L635-F649 HydrophobicContact CB-CZ 3.85Å; L635-F649 HydrophobicContact CD2-CE1 3.95Å; L635-F649 HydrophobicContact CD2-CE2 4.17Å; L635-F649 HydrophobicContact CD2-CZ 3.42Å; L635-F649 VanDerWaalsContact CD2-CZ 3.42Å; L635-F649 HydrophobicContact CG-CE1 4.47Å; L635-F649 HydrophobicContact CG-CZ 4.18Å; L635-F649 PolarHBondContact N-O 3.49Å; L635-F649 PolarHBondContact O-N 2.82Å; F649-L651 HydrophobicContact CD2-CD2 4.12Å; F649-L651 HydrophobicContact CE2-CD2 3.84Å
650	P	92.1	Very high	92.7	Very high	46 Å²	46	56.5 Å²	56.5	30%	0.299	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	150.7	-178.2	30.8	-34.5	0	0	0	111.8	P663	P650-P663 HydrophobicContact CB-CG 3.77Å; P650-P663 HydrophobicContact CG-CG 3.74Å; P650-P663 WeakPolarHBondContact O-CD 3.47Å
651	L	91.4	Very high	92.2	Very high	3 Å²	3	58 Å²	58	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130	177.4	-67	178.3	0	0	0	109.9	F427 F456 L621 R633 L635 F649 F660	F427-L651 HydrophobicContact CE1-CD2 4.5Å; F456-L651 HydrophobicContact CD2-CD1 3.9Å; F456-L651 HydrophobicContact CE2-CD1 3.65Å; F456-L651 HydrophobicContact CE2-CD2 4.49Å; F456-L651 HydrophobicContact CZ-CD1 4.49Å; L621-L651 HydrophobicContact CD1-CD1 4.01Å; R633-L651 HydrophobicContact CB-CB 4.34Å; R633-L651 PolarHBondContact O-N 3.23Å; L635-L651 HydrophobicContact CB-CD1 3.91Å; L635-L651 HydrophobicContact CB-CG 4.38Å; F649-L651 HydrophobicContact CD2-CD2 4.12Å; F649-L651 HydrophobicContact CE2-CD2 3.84Å; L651-F660 HydrophobicContact CB-CD1 4.06Å; L651-F660 HydrophobicContact CD1-CD1 4.18Å; L651-F660 HydrophobicContact CD2-CB 4.39Å
652	D	89.9	Confident	91.6	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125	170.6	-73.1	-19.4	0	0	0	109.6	F660 S661 P663	D652-F660 CarbonylContact O-C 3.59Å; D652-F660 WeakPolarHBondContact O-CA 3.42Å; D652-S661 PolarHBondContact N-O 2.77Å; D652-S661 PolarHBondContact O-N 2.71Å; D652-S661 PolarHBondContact O-OG 3.04Å; D652-P663 WeakPolarHBondContact OD2-CA 3.26Å; D652-P663 VanDerWaalsContact OD2-CB 3.25Å; D652-P663 WeakPolarHBondContact OD2-CB 3.31Å; D652-P663 WeakPolarHBondContact OD2-CG 3.23Å
653	F	90.3	Very high	90.7	Very high	64 Å²	64	50.4 Å²	50.4	28%	0.281	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.1	179.8	179.6	-112.4	0	0	0	111.5	T455 R633 K655 L658 T659 F660	T455-F653 HydrophobicContact CG2-CE2 3.94Å; T455-F653 HydrophobicContact CG2-CZ 4.49Å; R633-F653 VanDerWaalsContact NH1-CB 3.27Å; R633-F653 VanDerWaalsContact NH1-CG 3.34Å; F653-K655 HydrophobicContact CD1-CG 4.01Å; F653-K655 HydrophobicContact CE1-CG 3.92Å; F653-L658 HydrophobicContact CZ-CB 4.42Å; F653-L658 HydrophobicContact CZ-CD2 3.96Å; F653-T659 WeakPolarHBondContact CD2-O 3.45Å; F653-F660 HydrophobicContact CB-CD1 4.16Å; F653-F660 HydrophobicContact CB-CE1 3.99Å; F653-F660 HydrophobicContact CD2-CD1 4.1Å; F653-F660 HydrophobicContact CD2-CD2 4.27Å; F653-F660 AromaticContact CD2-CE1 3.76Å; F653-F660 HydrophobicContact CD2-CE1 3.76Å; F653-F660 AromaticContact CD2-CE2 3.92Å; F653-F660 HydrophobicContact CD2-CE2 3.92Å; F653-F660 HydrophobicContact CD2-CG 4.36Å; F653-F660 AromaticContact CD2-CZ 3.67Å; F653-F660 HydrophobicContact CD2-CZ 3.67Å; F653-F660 HydrophobicContact CE2-CE2 4.21Å; F653-F660 HydrophobicContact CE2-CZ 4.21Å; F653-F660 HydrophobicContact CG-CE1 4.24Å; F653-F660 HydrophobicContact CG-CZ 4.47Å
654	I	90.6	Very high	89.5	Confident	65 Å²	65	54.8 Å²	54.8	33%	0.333	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.8	179.5	-55.6	176	0	0	0	108.5	S656 S657 L658 T659	I654-S656 VanDerWaalsContact C-N 3.31Å; I654-S656 WeakPolarHBondContact CG2-OG 3.09Å; I654-S656 PolarHBondContact O-N 3.29Å; I654-S657 WeakPolarHBondContact CG2-OG 3.31Å; I654-L658 VanDerWaalsContact O-CA 3.3Å; I654-L658 WeakPolarHBondContact O-CA 3.48Å; I654-L658 PolarHBondContact O-N 3.28Å; I654-T659 PolarHBondContact N-O 3.23Å; I654-T659 PolarHBondContact O-N 3.05Å
655	K	89.1	Confident	87.5	Confident	157 Å²	157	62.5 Å²	62.5	68%	0.683	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-174.8	-68	-175.9	179.8	-179.6	0	114.5	R495 F653	R495-K655 PolarHBondContact NE-O 2.78Å; R495-K655 PolarHBondContact NH2-O 3.4Å; F653-K655 HydrophobicContact CD1-CG 4.01Å; F653-K655 HydrophobicContact CE1-CG 3.92Å
656	S	89.6	Confident	84.9	Confident	70 Å²	70	62 Å²	62	49%	0.49	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-52.9	179.9	48.3	0	0	0	0	110.6	R495 I654	R495-S656 WeakPolarHBondContact CG-O 3.34Å; R495-S656 PolarHBondContact NE-O 2.97Å; I654-S656 VanDerWaalsContact C-N 3.31Å; I654-S656 WeakPolarHBondContact CG2-OG 3.09Å; I654-S656 PolarHBondContact O-N 3.29Å
657	S	90.6	Very high	82	Confident	7 Å²	7	67.4 Å²	67.4	5%	0.049	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-5.5	-179	52.8	0	0	0	0	114.5	M493 I654 T659	M493-S657 WeakPolarHBondContact O-CB 3.37Å; I654-S657 WeakPolarHBondContact CG2-OG 3.31Å; S657-T659 WeakPolarHBondContact O-CG2 3.42Å; S657-T659 PolarHBondContact O-N 2.75Å; S657-T659 PolarHBondContact OG-OG1 3.32Å
658	L	92.5	Very high	79	Confident	38 Å²	38	75.2 Å²	75.2	20%	0.199	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	34.3	-172.8	-52.9	177.5	0	0	0	113	T455 I486 T489 Q490 F653 I654	T455-L658 HydrophobicContact CG2-CB 4.38Å; T455-L658 WeakPolarHBondContact CG2-O 3.31Å; I486-L658 HydrophobicContact CG1-CD1 4.4Å; I486-L658 HydrophobicContact CG2-CD1 4.31Å; T489-L658 HydrophobicContact CG2-CD1 4.05Å; T489-L658 HydrophobicContact CG2-CG 4.12Å; Q490-L658 HydrophobicContact CG-CB 4.25Å; Q490-L658 WeakPolarHBondContact CG-O 2.75Å; Q490-L658 PolarHBondContact NE2-O 2.9Å; F653-L658 HydrophobicContact CZ-CB 4.42Å; F653-L658 HydrophobicContact CZ-CD2 3.96Å; I654-L658 VanDerWaalsContact O-CA 3.3Å; I654-L658 WeakPolarHBondContact O-CA 3.48Å; I654-L658 PolarHBondContact O-N 3.28Å
659	T	92.8	Very high	76.3	Confident	4 Å²	4	80.5 Å²	80.5	3%	0.025	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	165.2	-174.7	59.8	0	0	0	0	112.5	E459 Q490 M493 F653 I654 S657	E459-T659 WeakPolarHBondContact OE1-CB 3.46Å; E459-T659 VanDerWaalsContact OE2-CA 3.24Å; E459-T659 WeakPolarHBondContact OE2-CA 3.44Å; Q490-T659 HydrophobicContact CB-CG2 4.07Å; Q490-T659 HydrophobicContact CG-CG2 3.94Å; M493-T659 HydrophobicContact SD-CG2 4.12Å; F653-T659 WeakPolarHBondContact CD2-O 3.45Å; I654-T659 PolarHBondContact N-O 3.23Å; I654-T659 PolarHBondContact O-N 3.05Å; S657-T659 WeakPolarHBondContact O-CG2 3.42Å; S657-T659 PolarHBondContact O-N 2.75Å; S657-T659 PolarHBondContact OG-OG1 3.32Å
660	F	91.8	Very high	73.3	Confident	5 Å²	5	88 Å²	88	2%	0.022	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.1	175.5	-65.9	-90.7	0	0	0	110.2	F427 T455 F456 E459 L651 D652 F653	F427-F660 HydrophobicContact CE1-CB 4.2Å; T455-F660 HydrophobicContact CG2-CE2 4.1Å; F456-F660 HydrophobicContact CB-CD2 4.11Å; F456-F660 HydrophobicContact CB-CE2 3.66Å; F456-F660 HydrophobicContact CB-CZ 4.11Å; F456-F660 HydrophobicContact CD2-CB 4.35Å; F456-F660 HydrophobicContact CD2-CD1 4.49Å; F456-F660 AromaticContact CD2-CD2 3.75Å; F456-F660 HydrophobicContact CD2-CD2 3.75Å; F456-F660 HydrophobicContact CD2-CE2 4.13Å; F456-F660 AromaticContact CD2-CG 3.95Å; F456-F660 HydrophobicContact CD2-CG 3.95Å; F456-F660 HydrophobicContact CG-CD2 4.44Å; F456-F660 HydrophobicContact CG-CE2 4.43Å; E459-F660 PolarHBondContact OE1-N 3.46Å; E459-F660 VanDerWaalsContact OE2-CD2 3.32Å; E459-F660 WeakPolarHBondContact OE2-CD2 3.41Å; E459-F660 PolarHBondContact OE2-N 3.25Å; L651-F660 HydrophobicContact CB-CD1 4.06Å; L651-F660 HydrophobicContact CD1-CD1 4.18Å; L651-F660 HydrophobicContact CD2-CB 4.39Å; D652-F660 CarbonylContact O-C 3.59Å; D652-F660 WeakPolarHBondContact O-CA 3.42Å; F653-F660 HydrophobicContact CB-CD1 4.16Å; F653-F660 HydrophobicContact CB-CE1 3.99Å; F653-F660 HydrophobicContact CD2-CD1 4.1Å; F653-F660 HydrophobicContact CD2-CD2 4.27Å; F653-F660 AromaticContact CD2-CE1 3.76Å; F653-F660 HydrophobicContact CD2-CE1 3.76Å; F653-F660 AromaticContact CD2-CE2 3.92Å; F653-F660 HydrophobicContact CD2-CE2 3.92Å; F653-F660 HydrophobicContact CD2-CG 4.36Å; F653-F660 AromaticContact CD2-CZ 3.67Å; F653-F660 HydrophobicContact CD2-CZ 3.67Å; F653-F660 HydrophobicContact CE2-CE2 4.21Å; F653-F660 HydrophobicContact CE2-CZ 4.21Å; F653-F660 HydrophobicContact CG-CE1 4.24Å; F653-F660 HydrophobicContact CG-CZ 4.47Å
661	S	86.8	Confident	70.3	Confident	39 Å²	39	97.2 Å²	97.2	27%	0.273	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.2	176.2	61.8	0	0	0	0	110.7	D652	D652-S661 PolarHBondContact N-O 2.77Å; D652-S661 PolarHBondContact O-N 2.71Å; D652-S661 PolarHBondContact O-OG 3.04Å
662	T	81.7	Confident	67.4	Low	62 Å²	62	106.9 Å²	106.9	38%	0.38	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-72.5	129.2	167.9	46.5	0	0	0	0	109.1	E429 I664	E429-T662 HydrophobicContact CG-CG2 4.3Å; T662-I664 PolarHBondContact O-N 3.14Å
663	P	76.1	Confident	64.5	Low	28 Å²	28	110 Å²	110	18%	0.182	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-54.7	127.4	177.8	-20.3	25.8	0	0	0	111	P650 D652 K665	P650-P663 HydrophobicContact CB-CG 3.77Å; P650-P663 HydrophobicContact CG-CG 3.74Å; P650-P663 WeakPolarHBondContact O-CD 3.47Å; D652-P663 WeakPolarHBondContact OD2-CA 3.26Å; D652-P663 VanDerWaalsContact OD2-CB 3.25Å; D652-P663 WeakPolarHBondContact OD2-CB 3.31Å; D652-P663 WeakPolarHBondContact OD2-CG 3.23Å; P663-K665 PolarHBondContact O-N 3.04Å
664	I	68.1	Low	61.6	Low	161 Å²	161	111.5 Å²	111.5	83%	0.826	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-63.5	123.2	172.8	-57.6	172	0	0	0	106.8	T662 G666	T662-I664 PolarHBondContact O-N 3.14Å; I664-G666 PolarHBondContact O-N 3.08Å
665	K	50.5	Low	58.6	Low	212 Å²	212	113 Å²	113	92%	0.922	59%	0.589	S	S	*	*			trans	-65.5	78.6	172.7	-72.8	-177.3	-179.9	174.6	0	109.6	P663	P663-K665 PolarHBondContact O-N 3.04Å
666	G	41.6	Very low	55.6	Low	58 Å²	58	115.1 Å²	115.1	60%	0.598	60%	0.598	S	S	*	*			trans	-78.6	126.4	171.4	0	0	0	0	0	109.9	I664 H668	I664-G666 PolarHBondContact O-N 3.08Å; G666-H668 PolarHBondContact O-N 2.97Å; G666-H668 VanDerWaalsContact O-N 3.16Å
667	K	35.1	Very low	52.8	Low	205 Å²	205	117.6 Å²	117.6	89%	0.891	61%	0.612	S	S	*	*			trans	-43.5	122.6	169.4	-70.6	178.5	177.2	177.4	0	109.1	K669	K667-K669 PolarHBondContact O-N 3.11Å
668	H	32.6	Very low	49.7	Very low	186 Å²	186	125.9 Å²	125.9	86%	0.861	65%	0.65	S	S	*	*			trans	-50.9	105.4	169.9	-81.9	-83.8	0	0	0	109.1	G666 L670	G666-H668 PolarHBondContact O-N 2.97Å; G666-H668 VanDerWaalsContact O-N 3.16Å; H668-L670 PolarHBondContact O-N 3.31Å
669	K	35.7	Very low	46.6	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	68%	0.68	S	S	*	*			trans	-69.7	94	154.9	-85.3	-173.3	177.2	179.5	0	105.4	K667 R671	K667-K669 PolarHBondContact O-N 3.11Å; K669-R671 PolarHBondContact O-N 3.46Å
670	L	31.2	Very low	43.5	Very low	164 Å²	164	140.5 Å²	140.5	86%	0.859	72%	0.722	S	S	*	*			trans	-50.8	106.3	163.2	-80.8	156.3	0	0	0	107.2	H668 K672	H668-L670 PolarHBondContact O-N 3.31Å; L670-K672 PolarHBondContact O-N 3.24Å; L670-K672 VanDerWaalsContact O-N 3.1Å
671	R	29.1	Very low	40.4	Very low	239 Å²	239	149.5 Å²	149.5	90%	0.902	76%	0.764	S	S	*	*			trans	-65.1	108.4	165.4	-108	-179.6	167.4	178.5	-3.7	105.9	K669 V673	K669-R671 PolarHBondContact O-N 3.46Å; R671-V673 PolarHBondContact O-N 3Å
672	K	30.4	Very low	37.5	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.896	79%	0.793	S	S	*	*			trans	-51	121.9	166.6	-103.8	-178.5	172.9	-177.9	0	107.9	L670 A674	L670-K672 PolarHBondContact O-N 3.24Å; L670-K672 VanDerWaalsContact O-N 3.1Å; K672-A674 PolarHBondContact O-N 3.13Å
673	V	28.9	Very low	34.9	Very low	137 Å²	137	160.5 Å²	160.5	83%	0.83	82%	0.816	S	S	*	*			trans	-62.4	128.9	167.8	176.4	0	0	0	0	107.3	R671 A675	R671-V673 PolarHBondContact O-N 3Å; V673-A675 PolarHBondContact O-N 2.75Å
674	A	30	Very low	32.4	Very low	96 Å²	96	168.2 Å²	168.2	79%	0.793	85%	0.85	S	S	*	*			trans	-67.9	115.6	173.3	0	0	0	0	0	109.1	K672	K672-A674 PolarHBondContact O-N 3.13Å
675	A	26.6	Very low	30.4	Very low	97 Å²	97	164 Å²	164	80%	0.802	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-81.8	135.4	165.3	0	0	0	0	0	108.9	V673	V673-A675 PolarHBondContact O-N 2.75Å
676	K	27.1	Very low	29.2	Very low	201 Å²	201	160.9 Å²	160.9	87%	0.874	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-68.3	155.7	169.5	-86.9	-179.1	174.5	-178.9	0	110.6
677	P	30	Very low	28.5	Very low	121 Å²	121	165.8 Å²	165.8	79%	0.786	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-89.2	133.4	-170.4	34.7	-29.2	0	0	0	111
678	E	26.1	Very low	28	Very low	182 Å²	182	161.3 Å²	161.3	85%	0.85	84%	0.836	S	S	*	*			trans	-139.9	129.5	154.7	-74.2	-169.9	170	0	0	109.6
679	N	26.5	Very low	27.7	Very low	154 Å²	154	158.9 Å²	158.9	82%	0.824	84%	0.835	S	S	*	*			trans	76.6	104.5	159.5	-58.7	-12.3	0	0	0	119.8
680	E	27.9	Very low	27.4	Very low	194 Å²	194	153.5 Å²	153.5	91%	0.907	83%	0.828	S	S	*	*			trans	-72.1	123.6	150.7	-66.8	173.4	159.2	0	0	109.1
681	E	27	Very low	27.2	Very low	195 Å²	195	155.6 Å²	155.6	91%	0.911	83%	0.831	S	S	*	*			trans	-143.3	130.4	142.3	-78.4	-164.8	161.2	0	0	108.7
682	E	25.4	Very low	27.2	Very low	190 Å²	190	153.5 Å²	153.5	89%	0.888	83%	0.828	S	S	*	*			trans	-62.6	152.2	176.2	-60.9	176.5	137.8	0	0	111.6
683	V	26.8	Very low	26.9	Very low	141 Å²	141	151.7 Å²	151.7	86%	0.855	83%	0.828	S	S	*	*				-171.1	139.1	125.5	162.9	0	0	0	0	110
684	Q	24.9	Very low	26.9	Very low	190 Å²	190	154.1 Å²	154.1	89%	0.888	83%	0.83	S	S	*	*			trans	-53.7	159.3	-178.6	-62.3	159	-11.4	0	0	116.4
685	G	25.7	Very low	26.7	Very low	72 Å²	72	153.4 Å²	153.4	74%	0.742	83%	0.832	S	S	*	*			trans	151.6	91	148.2	0	0	0	0	0	118.2
686	N	26	Very low	26.7	Very low	148 Å²	148	158.5 Å²	158.5	79%	0.791	84%	0.836	S	S	*	*			trans	46	123.9	137.7	-77.1	5.5	0	0	0	124.5
687	E	25.2	Very low	26.7	Very low	160 Å²	160	158 Å²	158	75%	0.748	83%	0.834	S	S	*	*				68.7	117.7	121.3	-68	-163.3	137.9	0	0	124
688	V	26.2	Very low	26.5	Very low	111 Å²	111	159.8 Å²	159.8	67%	0.673	83%	0.832	S	S	*	*				54.3	116.1	123.5	-158.6	0	0	0	0	118.7
689	T	26.2	Very low	26.5	Very low	135 Å²	135	160 Å²	160	83%	0.828	83%	0.83	S	S	*	*				168.4	134.6	105.5	31.9	0	0	0	0	112.5
690	A	28.3	Very low	26.6	Very low	91 Å²	91	156.1 Å²	156.1	75%	0.752	82%	0.819	S	S	*	*			trans	-80.9	142.2	159.4	0	0	0	0	0	109.9
691	K	26.2	Very low	26.5	Very low	208 Å²	208	153 Å²	153	90%	0.904	81%	0.813	S	S	*	*				-176.7	145.1	124.1	-103.3	170.7	-177.3	177.8	0	113.2
692	K	29.7	Very low	26.5	Very low	194 Å²	194	152.2 Å²	152.2	84%	0.843	81%	0.807	S	S	*	*			trans	-36.3	151.6	166.1	-70.9	169.7	164.7	-177.7	0	114.7
693	D	24.8	Very low	26.6	Very low	168 Å²	168	149.2 Å²	149.2	90%	0.898	80%	0.802	S	S	*	*				-150.9	141.7	124.6	-127.3	-16.3	0	0	0	113.6
694	E	28.6	Very low	26.7	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.883	80%	0.796	S	S	*	*			trans	-84.7	153.7	171.2	-71.9	-178.8	143.4	0	0	110.1
695	G	25.3	Very low	26.8	Very low	80 Å²	80	148.1 Å²	148.1	83%	0.825	80%	0.8	S	S	*	*			trans	179.1	100.4	169.4	0	0	0	0	0	116.4
696	K	27.8	Very low	27	Very low	204 Å²	204	149.4 Å²	149.4	89%	0.887	80%	0.803	S	S	*	*			trans	-56.9	147.3	169.8	-79	168.9	166.4	170.8	0	114.9
697	K	26.3	Very low	27.1	Very low	190 Å²	190	148 Å²	148	83%	0.826	81%	0.805	S	S	*	*				165.6	119.4	121.9	-94.1	173	176.9	176.6	0	109.3
698	E	26.1	Very low	27.3	Very low	160 Å²	160	149.9 Å²	149.9	75%	0.748	81%	0.813	S	S	*	*				75.5	132.1	74.6	-139.1	-169.6	-152.7	0	0	115.7
699	K	26.5	Very low	27.4	Very low	186 Å²	186	149.5 Å²	149.5	81%	0.809	82%	0.822	S	S	*	*			trans	74.5	148.6	167.6	-73.9	177.4	172.8	172.4	0	118.9
700	A	27.6	Very low	27.5	Very low	73 Å²	73	148.1 Å²	148.1	60%	0.603	82%	0.824	S	S	*	*			cis	179.4	149	-17.4	0	0	0	0	0	107.5
701	T	26.3	Very low	27.5	Very low	127 Å²	127	153.6 Å²	153.6	78%	0.779	83%	0.831	S	S	*	*			trans	52.4	130.1	148.3	18.5	0	0	0	0	121.7
702	K	27	Very low	27.7	Very low	179 Å²	179	149.8 Å²	149.8	78%	0.778	83%	0.829	S	S	*	*				161.8	133.2	85.5	-118	170.6	-173.3	-178.2	0	112.6
703	T	27.5	Very low	28.2	Very low	127 Å²	127	146.6 Å²	146.6	78%	0.779	83%	0.828	S	S	*	*			trans	39.5	152.1	135.7	45.4	0	0	0	0	121.4
704	A	28.9	Very low	28.5	Very low	89 Å²	89	143 Å²	143	74%	0.736	82%	0.822	S	S	*	*			cis	172.6	150.1	-10.4	0	0	0	0	0	105.8
705	K	26.6	Very low	28.6	Very low	220 Å²	220	141.2 Å²	141.2	96%	0.957	82%	0.818	S	S	*	*			trans	-168	140.2	139.2	-117.5	175.7	-178.9	177.8	0	112.5
706	A	29.4	Very low	28.8	Very low	99 Å²	99	147.4 Å²	147.4	82%	0.818	82%	0.817	S	S	*	*			trans	-106.9	164.3	-168.7	0	0	0	0	0	112.5
707	S	28.3	Very low	29.1	Very low	118 Å²	118	144.1 Å²	144.1	83%	0.825	81%	0.809	S	S	*	*			trans	-174.4	148.7	149.8	60.3	0	0	0	0	108.2
708	Q	29.4	Very low	29.5	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	81%	0.808	S	S	*	*			cis	-163.5	145.6	-33.8	-131	178.7	6.1	0	0	104.8
709	A	29.1	Very low	30.3	Very low	103 Å²	103	143.9 Å²	143.9	85%	0.851	81%	0.813	S	S	*	*			trans	-82.8	153.1	-175	0	0	0	0	0	113.9
710	A	27.2	Very low	31.2	Very low	106 Å²	106	139.6 Å²	139.6	88%	0.876	81%	0.812	S	S	*	*			trans	-111.4	142	166.5	0	0	0	0	0	111.2
711	K	30	Very low	31.8	Very low	207 Å²	207	149.9 Å²	149.9	90%	0.9	84%	0.843	S	S	*	*			trans	-87.2	147.5	-163.1	-70.1	168	171.1	174.5	0	114.1
712	C	30	Very low	32.1	Very low	128 Å²	128	151 Å²	151	87%	0.865	85%	0.846	S	S	*	*			trans	-81.3	159.8	152.1	-71.1	0	0	0	0	111.4
713	P	39.2	Very low	32.4	Very low	127 Å²	127	149.5 Å²	149.5	83%	0.825	85%	0.85	S	S	*	*			trans	-120.3	145.9	149.7	34.7	-22	0	0	0	112.4
714	A	31.1	Very low	32.7	Very low	92 Å²	92	150.8 Å²	150.8	76%	0.76	85%	0.854	S	S	*	*			trans	-108.8	141.4	166.1	0	0	0	0	0	108.9
715	N	31.7	Very low	32.9	Very low	151 Å²	151	154.4 Å²	154.4	81%	0.807	86%	0.861	S	S	*	*				175.2	150.1	114.3	-113.7	-19.5	0	0	0	115.6
716	R	29.3	Very low	33.3	Very low	210 Å²	210	150.3 Å²	150.3	79%	0.792	86%	0.855	S	S	*	*			trans	94.5	122.9	141.5	-88.9	-179.1	175.5	179.7	-1.5	122.4
717	N	33.9	Very low	33.5	Very low	136 Å²	136	153.7 Å²	153.7	73%	0.727	86%	0.857	S	S	*	*			trans	58.4	140.8	143	-66.6	6.1	0	0	0	118.4
718	D	34.3	Very low	33.9	Very low	150 Å²	150	156.3 Å²	156.3	80%	0.802	86%	0.859	S	S	*	*			cis	-160.4	171	49.4	-110.5	-37.7	0	0	0	114.6
719	K	43.1	Very low	34.2	Very low	195 Å²	195	153 Å²	153	85%	0.848	85%	0.854	S	S	*	*			trans	-67.9	162.4	178.6	-73.4	170.8	169.1	175.2	0	116
720	A	45.3	Very low	34.7	Very low	96 Å²	96	157.2 Å²	157.2	79%	0.793	85%	0.854	S	S	*	*			trans	74.4	105.7	143.5	0	0	0	0	0	120.5
721	K	41	Very low	35.4	Very low	288 Å²	288	161.8 Å²	161.8	100%	1.252	85%	0.852	S	S	*	*				-175.2	0	98.5	-108.9	-178.4	179.3	177.7	0	110.3

Retrieved 721 of 721 residues in 413.8 ms (Link to these results)

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