A0A5K4F232_SCHMA Loading...

TGc domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F232, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 917 aa.

						>A0A5K4F232_SCHMA|A0A5K4F232
MGSKLSCMSKQSENNGKIPKSKKPKLLTKTERTNEVVTVTTKVIEDKSEPPATTEESVKNHVTPVESETIKIRSHISLLEPAPSSYELPKPLTPSPINISSQLIKPSLDQSKFTTQLIINKPTSGDNHIAQPVDPDARELARGTTKPATWKDLHWALIGKRNLINDELKVRALFSWLCSIPVGHIPFLTYDEIEQAERDGIQYAKEALSNKLKKLKTDSPEFVLNEMANGKATYLQAFESLCHYSNIPCVTVKGLAKGVDYVVGMRLNDINDQLQQQQQQQSLTSPSSTSPLSSSIMHRLQHAWNAAYLDNKWALFDPMWAAQRLAVSANTRLSQLVQTGQMDYETDMFYFNVDPAKFIYSHYPFDENWQMLKPPVTLKQFENSVLLKPAFFRHGLGLLSHQDCVILAPNKLVIKLSMPKTLTDTLKFTFNLKYEGKDDNLDLPNLSQFGLHELSKRDATVTFHFRFPKPGGYKLTLYAQRIGEKLFADICEYRVESKMSTDLQQTDSGVMNATTPTTTVTTNNNHDTSISALSILPFPPTSQGHYGPAEKAKELDLITVPEDLETQLNCHTGLLEIKFTTKNPQSKLPRLTARLKSSIHETSMLTDCILLRNIEAVPPGSLSFGIQTIHGSRIHMIILTAYLPTGGEYALEVYGAPADSDENTSYFLVWQFLINSEFGIRLSTPVRKRLATMNLGPQDETWSTLGLKLLSHDDPLIHVPTTGSIELRKTRSKSEIMSQYVNQGDKTMNGVSTSDSLIVPTTSPDQTNEVDDEGQDPRSCDLKIRFSKESHQKLYVVGQFVDISTPEEEDCTNYLLQQWEEPEVSNMNEHLTYLIRIPKGDHFYKLYIYATPINNNELPQSLPLVYTYLIEAPPRIMSSEIPYIGVKWGAFPEKLEQQQKHHHPQQQQQDQQQTTIK
					

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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	28.4	Very low	25.9	Very low	247 Å²	247	156.3 Å²	156.3	100%	1.217	87%	0.872	S	S	*	*				0	112.4	0	-77.2	-176.3	-88	0	0	107.6
2	G	30.6	Very low	25.8	Very low	79 Å²	79	152.8 Å²	152.8	81%	0.814	87%	0.866	S	S	*	*			trans	-70.8	128.4	-179.6	0	0	0	0	0	111.3	K4	G2-K4 PolarHBondContact O-N 3.26Å
3	S	29.8	Very low	25.5	Very low	108 Å²	108	155.2 Å²	155.2	76%	0.755	87%	0.865	S	S	*	*			trans	-64.4	118.3	175.9	46.7	0	0	0	0	110.5	L5	S3-L5 PolarHBondContact O-N 3.25Å; S3-L5 VanDerWaalsContact O-N 3.1Å
4	K	32	Very low	25.5	Very low	207 Å²	207	155.8 Å²	155.8	90%	0.9	87%	0.866	S	S	*	*			trans	-60.8	112.9	171.7	-78.7	-174.9	172.8	-176.6	0	109.6	G2 S6	G2-K4 PolarHBondContact O-N 3.26Å; K4-S6 PolarHBondContact O-N 3.26Å; K4-S6 VanDerWaalsContact O-N 3.17Å
5	L	26	Very low	25.4	Very low	177 Å²	177	156.8 Å²	156.8	93%	0.927	87%	0.869	S	S	*	*			trans	-70	104.1	167.6	-69.1	165	0	0	0	108.2	S3	S3-L5 PolarHBondContact O-N 3.25Å; S3-L5 VanDerWaalsContact O-N 3.1Å
6	S	27.2	Very low	25.4	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	86%	0.858	S	S	*	*			trans	-137.9	110.8	161.7	-175.9	0	0	0	0	108.6	K4	K4-S6 PolarHBondContact O-N 3.26Å; K4-S6 VanDerWaalsContact O-N 3.17Å
7	C	20.6	Very low	25.3	Very low	127 Å²	127	154.4 Å²	154.4	86%	0.858	86%	0.86	S	S	*	*			trans	-87.4	105.3	-178.5	48	0	0	0	0	110.5
8	M	23.1	Very low	25.1	Very low	163 Å²	163	154.7 Å²	154.7	80%	0.803	86%	0.858	S	S	*	*			trans	-139.1	110.9	157.1	-90	-170.6	70.4	0	0	110.3
9	S	21.7	Very low	25.1	Very low	116 Å²	116	152.8 Å²	152.8	81%	0.811	85%	0.853	S	S	*	*			trans	-73.2	123.5	171.2	53.7	0	0	0	0	110.7
10	K	24.2	Very low	25	Very low	191 Å²	191	155.2 Å²	155.2	83%	0.83	85%	0.854	S	S	*	*			trans	-130.2	115.2	148.6	-79	-167.3	173.8	-178.9	0	109.1
11	Q	21.1	Very low	24.9	Very low	194 Å²	194	153.7 Å²	153.7	91%	0.907	85%	0.854	S	S	*	*			trans	-62.8	132.3	166.8	-67.4	164.4	-38.1	0	0	108.5
12	S	25.3	Very low	24.7	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	84%	0.839	S	S	*	*			trans	-135.7	108.3	154.3	59.4	0	0	0	0	107.2	N14	S12-N14 PolarHBondContact O-N 3.24Å
13	E	21.1	Very low	24.3	Very low	184 Å²	184	157.1 Å²	157.1	86%	0.86	84%	0.84	S	S	*	*			trans	-62.2	126.6	170.9	-60.7	175.6	126	0	0	109
14	N	25.9	Very low	23.9	Very low	164 Å²	164	158.1 Å²	158.1	88%	0.877	84%	0.844	S	S	*	*			trans	-155.4	121.4	147.7	-120.3	-32.9	0	0	0	111.8	S12 G16	S12-N14 PolarHBondContact O-N 3.24Å; N14-G16 PolarHBondContact O-N 3.13Å
15	N	23.8	Very low	23.5	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	84%	0.841	S	S	*	*			trans	-74	86.6	-176.9	-80.9	-56.7	0	0	0	111.6
16	G	25.2	Very low	23.3	Very low	66 Å²	66	156.9 Å²	156.9	68%	0.68	84%	0.838	S	S	*	*			trans	-93.9	105.8	171.9	0	0	0	0	0	112.3	N14 I18	N14-G16 PolarHBondContact O-N 3.13Å; G16-I18 PolarHBondContact O-N 3.05Å
17	K	24.1	Very low	23.2	Very low	207 Å²	207	159.3 Å²	159.3	90%	0.9	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-58.7	121.9	-179.2	-71.1	173.7	178	171.6	0	112.2	P19	K17-P19 WeakPolarHBondContact O-CD 3.3Å
18	I	22.5	Very low	23.2	Very low	159 Å²	159	158.9 Å²	158.9	82%	0.815	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-63.3	122.4	173.4	-60	170.8	0	0	0	109.7	G16 K20	G16-I18 PolarHBondContact O-N 3.05Å; I18-K20 PolarHBondContact O-N 3.2Å
19	P	24.7	Very low	23.1	Very low	119 Å²	119	161.4 Å²	161.4	77%	0.773	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-73	124.3	177.9	-13.7	28.6	0	0	0	111.1	K17 S21	K17-P19 WeakPolarHBondContact O-CD 3.3Å; P19-S21 PolarHBondContact O-N 3.05Å
20	K	22.4	Very low	23.1	Very low	201 Å²	201	161.7 Å²	161.7	87%	0.874	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-63.1	135.7	173.9	-68.8	-175.2	176.5	-175.6	0	110.9	I18 K22	I18-K20 PolarHBondContact O-N 3.2Å; K20-K22 PolarHBondContact O-N 3.36Å
21	S	23.4	Very low	23	Very low	123 Å²	123	161.2 Å²	161.2	86%	0.86	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-56.2	122.8	-179	50.4	0	0	0	0	112.7	P19	P19-S21 PolarHBondContact O-N 3.05Å
22	K	23.5	Very low	23.1	Very low	204 Å²	204	163.4 Å²	163.4	89%	0.887	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-80.9	131.7	167.7	-74.8	-178.4	177.6	174.7	0	109.7	K20	K20-K22 PolarHBondContact O-N 3.36Å
23	K	22.3	Very low	22.8	Very low	195 Å²	195	164.3 Å²	164.3	85%	0.848	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-56.5	146.9	173.4	-73	-176.7	173.6	-175.8	0	111	K25	K23-K25 PolarHBondContact O-N 2.87Å
24	P	22.5	Very low	22.9	Very low	128 Å²	128	162.8 Å²	162.8	83%	0.831	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-67.8	131.3	-172.8	26.7	-33.3	0	0	0	111.4
25	K	22.8	Very low	22.7	Very low	195 Å²	195	163.9 Å²	163.9	85%	0.848	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-85	134.5	167.5	-81.4	-171.5	172.3	-172.2	0	109.6	K23 L27	K23-K25 PolarHBondContact O-N 2.87Å; K25-L27 PolarHBondContact O-N 3.32Å
26	L	21.3	Very low	22.6	Very low	163 Å²	163	161.9 Å²	161.9	85%	0.853	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-60.7	124.8	174	-160.2	75.3	0	0	0	109.8	T28	L26-T28 PolarHBondContact O-N 3.08Å
27	L	24.7	Very low	22.5	Very low	161 Å²	161	165.1 Å²	165.1	84%	0.843	84%	0.838	S	S	*	*			trans	-75.5	106.5	177.6	-83.2	103.6	0	0	0	111.1	K25	K25-L27 PolarHBondContact O-N 3.32Å
28	T	21.6	Very low	22.3	Very low	118 Å²	118	161 Å²	161	72%	0.724	83%	0.83	S	S	*	*			trans	-86.9	137.8	158.7	47.1	0	0	0	0	109.9	L26 T30	L26-T28 PolarHBondContact O-N 3.08Å; T28-T30 PolarHBondContact O-N 2.83Å; T28-T30 VanDerWaalsContact O-N 3.16Å
29	K	20.8	Very low	22.2	Very low	217 Å²	217	159.5 Å²	159.5	94%	0.943	83%	0.828	S	S	*	*			trans	-24.4	109.2	179.3	-74	179	172.9	179.6	0	114
30	T	21.2	Very low	21.9	Very low	121 Å²	121	159.7 Å²	159.7	74%	0.742	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-93.8	126.2	172.4	-42.1	0	0	0	0	109.4	T28	T28-T30 PolarHBondContact O-N 2.83Å; T28-T30 VanDerWaalsContact O-N 3.16Å
31	E	22.2	Very low	21.8	Very low	182 Å²	182	156.3 Å²	156.3	85%	0.85	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70	147.3	172.7	-66.2	178.2	133.4	0	0	110.6	T33	E31-T33 PolarHBondContact O-N 3.39Å
32	R	24.1	Very low	21.6	Very low	240 Å²	240	159.9 Å²	159.9	91%	0.906	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.8	116.6	-174.7	-70.6	177.7	174	172.8	-3.1	111.1
33	T	19.4	Very low	21.5	Very low	132 Å²	132	157 Å²	157	81%	0.81	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86	125.2	162.6	47	0	0	0	0	110	E31	E31-T33 PolarHBondContact O-N 3.39Å
34	N	23.3	Very low	21.4	Very low	152 Å²	152	155.2 Å²	155.2	81%	0.813	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.7	121.3	177.1	-64.7	-32.9	0	0	0	110.4
35	E	21.1	Very low	21.3	Very low	187 Å²	187	156.7 Å²	156.7	87%	0.874	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-87.5	141.4	166.6	-72.9	-171.7	145.5	0	0	110.9
36	V	22.4	Very low	21.2	Very low	130 Å²	130	154.9 Å²	154.9	79%	0.788	82%	0.816	S	S	*	*			trans	-109.3	126.6	-176.1	176.2	0	0	0	0	108.9
37	V	21.9	Very low	21.2	Very low	133 Å²	133	155.1 Å²	155.1	81%	0.806	81%	0.81	S	S	*	*			trans	-116.7	121.1	176	179.6	0	0	0	0	109.6
38	T	19.3	Very low	21.2	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	81%	0.813	S	S	*	*			trans	-91.5	131.6	-175.4	-44.5	0	0	0	0	111.1
39	V	21	Very low	21.3	Very low	126 Å²	126	157.2 Å²	157.2	76%	0.764	82%	0.822	S	S	*	*			trans	-127.9	131.9	171.9	-179.1	0	0	0	0	109.4
40	T	18.4	Very low	22.5	Very low	124 Å²	124	152 Å²	152	76%	0.761	81%	0.811	S	S	*	*			trans	-109.8	126.6	-169.3	-40.3	0	0	0	0	111.3
41	T	21	Very low	23	Very low	129 Å²	129	152.1 Å²	152.1	79%	0.791	81%	0.813	S	S	*	*			trans	-138.7	136	170.1	-22.9	0	0	0	0	110.2
42	K	18.7	Very low	23	Very low	199 Å²	199	147.7 Å²	147.7	87%	0.865	81%	0.808	S	S	*	*			trans	-88.7	146.1	-174	-66.4	178	175.8	180	0	111.8
43	V	21.2	Very low	22.9	Very low	142 Å²	142	142.2 Å²	142.2	86%	0.861	80%	0.801	S	S	*	*			trans	-125.6	149.7	170.8	178.7	0	0	0	0	108.7
44	I	21.3	Very low	23.1	Very low	158 Å²	158	142 Å²	142	81%	0.81	80%	0.799	S	S	*	*			trans	-113.2	155.4	-174.5	-70.8	173.3	0	0	0	110.6
45	E	19.2	Very low	22.9	Very low	160 Å²	160	143.2 Å²	143.2	75%	0.748	80%	0.8	S	S	*	*			trans	-82	157.4	-167	-49.9	165.2	112.8	0	0	115.8
46	D	21.8	Very low	23.1	Very low	157 Å²	157	143 Å²	143	84%	0.84	80%	0.799	S	S	*	*			trans	-166.7	114.6	137.4	-127.9	-2.3	0	0	0	106.5
47	K	20.6	Very low	23.2	Very low	168 Å²	168	142.2 Å²	142.2	73%	0.73	80%	0.8	S	S	*	*				67.9	105.4	62.6	-75.5	-167.8	178.8	178.5	0	117.2
48	S	25.9	Very low	23.3	Very low	130 Å²	130	141.4 Å²	141.4	91%	0.909	80%	0.795	S	S	*	*			trans	-168.9	163.6	141.2	42.4	0	0	0	0	111.4
49	E	22.5	Very low	23.5	Very low	192 Å²	192	145.4 Å²	145.4	90%	0.897	80%	0.802	S	S	*	*			trans	-110.3	175.1	-150.9	-96.4	-176	134.5	0	0	117.1
50	P	46.9	Very low	23.8	Very low	109 Å²	109	146.1 Å²	146.1	71%	0.708	80%	0.801	S	S	*	*			trans	-102.8	-167.5	-168.9	45.8	-39.7	0	0	0	113.5
51	P	30.2	Very low	24.2	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	81%	0.805	S	S	*	*				-137.5	-160.1	72.1	37.5	-16.1	0	0	0	112.3
52	A	23.9	Very low	24.3	Very low	89 Å²	89	149.2 Å²	149.2	74%	0.736	81%	0.807	S	S	*	*			cis	-157.4	-159.6	12.4	0	0	0	0	0	114.8
53	T	20.5	Very low	24.6	Very low	125 Å²	125	145.6 Å²	145.6	77%	0.767	80%	0.802	S	S	*	*			trans	-54.2	158.6	175	48.3	0	0	0	0	117.2
54	T	23.3	Very low	24.8	Very low	126 Å²	126	143.8 Å²	143.8	77%	0.773	79%	0.793	S	S	*	*			cis	-154.7	162	35	-15.4	0	0	0	0	114.2
55	E	20.6	Very low	24.9	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	80%	0.796	S	S	*	*			trans	-19.3	129.4	169.1	-60.9	169.5	175.4	0	0	121.6
56	E	24.4	Very low	25.3	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	80%	0.799	S	S	*	*				-171.1	141.5	114.6	-110.3	-170.7	174.6	0	0	114.3
57	S	24.5	Very low	25.6	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	80%	0.795	S	S	*	*			trans	45.5	92.4	152.4	-60.9	0	0	0	0	121.3
58	V	24.5	Very low	26	Very low	115 Å²	115	142.3 Å²	142.3	70%	0.697	80%	0.801	S	S	*	*			trans	-83.4	126.5	176.8	176.5	0	0	0	0	113.9	N60	V58-N60 HydrophobicContact CG1-CB 4.2Å
59	K	24	Very low	26.1	Very low	206 Å²	206	142.1 Å²	142.1	90%	0.896	80%	0.795	S	S	*	*			trans	-131.7	79.3	157.7	-83.3	-174	176.3	177	0	110.2	H61	K59-H61 PolarHBondContact O-N 3.45Å; K59-H61 VanDerWaalsContact O-N 3.13Å
60	N	25.9	Very low	26.5	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	79%	0.789	S	S	*	*			trans	-78.3	96.4	-179.9	-73.5	-8.9	0	0	0	111.5	V58 V62	V58-N60 HydrophobicContact CG1-CB 4.2Å; N60-V62 PolarHBondContact O-N 2.72Å
61	H	26.4	Very low	25.9	Very low	180 Å²	180	143.7 Å²	143.7	83%	0.833	79%	0.793	S	S	*	*			trans	-76	114.2	158.2	-104.8	-74.5	0	0	0	109.2	K59 T63	K59-H61 PolarHBondContact O-N 3.45Å; K59-H61 VanDerWaalsContact O-N 3.13Å; H61-T63 PolarHBondContact O-N 2.73Å
62	V	24	Very low	26.2	Very low	137 Å²	137	145.4 Å²	145.4	83%	0.83	79%	0.794	S	S	*	*			trans	-71.5	117.2	170.8	177.7	0	0	0	0	108.4	N60	N60-V62 PolarHBondContact O-N 2.72Å
63	T	25	Very low	27.4	Very low	124 Å²	124	151.4 Å²	151.4	76%	0.761	80%	0.798	S	S	*	*			trans	-115.1	134.8	164.9	-11.3	0	0	0	0	106.8	H61	H61-T63 PolarHBondContact O-N 2.73Å
64	P	25.9	Very low	29.2	Very low	104 Å²	104	150 Å²	150	68%	0.675	79%	0.793	S	S	*	*			trans	-76.1	148.9	-162.2	24.4	-23.5	0	0	0	112.2	E66	P64-E66 PolarHBondContact O-N 3.49Å
65	V	24.2	Very low	31.6	Very low	143 Å²	143	151.8 Å²	151.8	87%	0.867	79%	0.792	S	S	*	*			trans	-68.1	96.5	171.2	-179.7	0	0	0	0	108.1	S67	V65-S67 PolarHBondContact O-N 3.28Å
66	E	27.6	Very low	34.7	Very low	175 Å²	175	144.6 Å²	144.6	82%	0.818	76%	0.759	S	S	*	*			trans	-62.7	129.7	170.7	-69.4	-171.2	151.9	0	0	109.3	P64 E68	P64-E66 PolarHBondContact O-N 3.49Å; E66-E68 PolarHBondContact O-N 3.48Å
67	S	28	Very low	37.9	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	73%	0.726	S	S	*	*			trans	-67	118.2	-177.1	-48	0	0	0	0	109.9	V65 T69	V65-S67 PolarHBondContact O-N 3.28Å; S67-T69 PolarHBondContact O-N 3.49Å
68	E	27.1	Very low	41.1	Very low	184 Å²	184	132 Å²	132	86%	0.86	69%	0.691	S	S	*	*			trans	-58.1	99.8	176	-72.8	-167.1	145.5	0	0	110.4	E66 I70	E66-E68 PolarHBondContact O-N 3.48Å; E68-I70 PolarHBondContact O-N 3.16Å
69	T	28.6	Very low	44.4	Very low	126 Å²	126	127.8 Å²	127.8	77%	0.773	66%	0.664	S	S	*	*			trans	-72.1	101.9	166.3	6.2	0	0	0	0	106.3	S67 K71	S67-T69 PolarHBondContact O-N 3.49Å; T69-K71 PolarHBondContact O-N 3.47Å
70	I	32.3	Very low	47.7	Very low	150 Å²	150	121.9 Å²	121.9	77%	0.769	64%	0.639	S	S	*	*			trans	-62.8	86.9	173.5	-56.8	176.1	0	0	0	107.9	E68 I72	E68-I70 PolarHBondContact O-N 3.16Å; I70-I72 PolarHBondContact O-N 3Å
71	K	32.5	Very low	51	Low	185 Å²	185	116.3 Å²	116.3	80%	0.804	61%	0.611	S	S	*	*			trans	-61.7	105.5	165.4	-76.1	179.8	178.4	173.7	0	106.1	T69 R73	T69-K71 PolarHBondContact O-N 3.47Å; K71-R73 PolarHBondContact O-N 2.91Å
72	I	36.2	Very low	54.2	Low	158 Å²	158	108.2 Å²	108.2	81%	0.81	58%	0.575	S	S	*	*			trans	-54.7	103.9	172.5	-59.3	171.2	0	0	0	106.8	I70 S74	I70-I72 PolarHBondContact O-N 3Å; I72-S74 PolarHBondContact O-N 3.05Å
73	R	49.1	Very low	57.6	Low	215 Å²	215	103.8 Å²	103.8	81%	0.811	55%	0.549	S	S	*	.			trans	-64.7	119.3	173.5	-66	-175.4	-175	-175.7	2.5	106.4	K71 H75	K71-R73 PolarHBondContact O-N 2.91Å; R73-H75 PolarHBondContact O-N 3.11Å; R73-H75 VanDerWaalsContact O-N 3.11Å
74	S	58.8	Low	60.7	Low	95 Å²	95	103.7 Å²	103.7	66%	0.664	55%	0.554	S	S	*	*			trans	-60.2	116.4	172.8	49.3	0	0	0	0	108.4	I72 I76	I72-S74 PolarHBondContact O-N 3.05Å; S74-I76 PolarHBondContact O-N 3.22Å
75	H	74.6	Confident	63.8	Low	164 Å²	164	103.6 Å²	103.6	76%	0.759	56%	0.555	S	S	*	*			trans	-65.6	98.4	179.8	-171	-80.6	0	0	0	109.3	R73 S77	R73-H75 PolarHBondContact O-N 3.11Å; R73-H75 VanDerWaalsContact O-N 3.11Å; H75-S77 PolarHBondContact CE1-OG 2.67Å; H75-S77 PolarHBondContact ND1-OG 2.79Å
76	I	86	Confident	67.2	Low	27 Å²	27	98.4 Å²	98.4	14%	0.138	52%	0.521	C	S	.	.			trans	-69.6	134.1	177.4	-66	166.3	0	0	0	107.9	S74 L78 L188 E192 A196 I201	S74-I76 PolarHBondContact O-N 3.22Å; I76-L78 HydrophobicContact CG2-CD1 3.77Å; I76-L188 HydrophobicContact CG2-CD1 4.23Å; I76-L188 HydrophobicContact CG2-CD2 4.16Å; I76-E192 HydrophobicContact CD1-CB 4.46Å; I76-A196 HydrophobicContact CG2-CB 3.99Å; I76-I201 HydrophobicContact CB-CD1 3.83Å; I76-I201 HydrophobicContact CG2-CD1 4.23Å
77	S	90.1	Very high	70.3	Confident	22 Å²	22	98.2 Å²	98.2	15%	0.154	52%	0.52	C	S	.	.			trans	-142.4	125.2	178.9	-62.8	0	0	0	0	108.8	H75 T145 K146	H75-S77 PolarHBondContact CE1-OG 2.67Å; H75-S77 PolarHBondContact ND1-OG 2.79Å; S77-T145 WeakPolarHBondContact O-CA 3.4Å; S77-K146 PolarHBondContact O-N 3.16Å
78	L	92.7	Very high	73.4	Confident	12 Å²	12	96.1 Å²	96.1	6%	0.063	50%	0.5	C	S	.	.	B	Isolated β-bridge	trans	-95.6	144.2	-174.8	-77.8	79.1	0	0	0	110.4	I76 L188 A196 I201 A204 A207	I76-L78 HydrophobicContact CG2-CD1 3.77Å; L78-L188 HydrophobicContact CD1-CD1 3.94Å; L78-L188 HydrophobicContact CD2-CD1 4.41Å; L78-L188 HydrophobicContact CG-CD1 3.67Å; L78-A196 HydrophobicContact CD1-CB 4.09Å; L78-I201 HydrophobicContact CD1-CG2 3.88Å; L78-A204 HydrophobicContact CD2-CB 4.38Å; L78-A207 HydrophobicContact CD2-CB 3.39Å
79	L	94.5	Very high	76.4	Confident	26 Å²	26	89.2 Å²	89.2	14%	0.136	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-67.6	149.7	165.9	-171.9	59.4	0	0	0	110.3	L140 K146 P147 A156	L79-L140 HydrophobicContact CD1-CD1 3.55Å; L79-L140 HydrophobicContact CD2-CD1 3.99Å; L79-L140 HydrophobicContact CD2-CD2 4.24Å; L79-L140 HydrophobicContact CG-CD1 4.37Å; L79-K146 WeakPolarHBondContact CB-O 3.43Å; L79-K146 PolarHBondContact N-O 2.86Å; L79-P147 HydrophobicContact CD2-CB 3.96Å; L79-A156 HydrophobicContact CD1-CB 4.46Å; L79-A156 HydrophobicContact CD2-CB 3.81Å; L79-A156 HydrophobicContact CG-CB 4.45Å
80	E	93.1	Very high	79.3	Confident	81 Å²	81	91.8 Å²	91.8	38%	0.379	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-53.1	124.8	170.6	-176.2	-171.1	-180	0	0	110.3	K160 Y203	E80-K160 IonicContact OE2-NZ 2.81Å; E80-K160 PolarHBondContact OE2-NZ 2.84Å; E80-Y203 HydrophobicContact CB-CE2 4.44Å
81	P	94.2	Very high	81.9	Confident	26 Å²	26	87.1 Å²	87.1	17%	0.169	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-68.7	147.7	-178	27.7	-34.1	0	0	0	110.9	D152 Y203 E206	P81-D152 WeakPolarHBondContact CA-OD1 3.41Å; P81-Y203 VanDerWaalsContact CD-CD1 3.44Å; P81-Y203 VanDerWaalsContact CD-CG 3.5Å; P81-Y203 HydrophobicContact CG-CD1 3.94Å; P81-Y203 HydrophobicContact CG-CG 4.27Å; P81-E206 HydrophobicContact CG-CB 4.31Å
82	A	94.6	Very high	84.3	Confident	9 Å²	9	81.1 Å²	81.1	7%	0.074	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-63	137.4	175.5	0	0	0	0	0	111.1	Y86 K151 D152 W155	A82-Y86 HydrophobicContact CB-CD1 4.15Å; A82-K151 HydrophobicContact CB-CB 4.42Å; A82-K151 HydrophobicContact CB-CD 3.96Å; A82-K151 HydrophobicContact CB-CG 3.66Å; A82-D152 PolarHBondContact N-OD1 3.45Å; A82-W155 HydrophobicContact CB-CB 3.52Å; A82-W155 HydrophobicContact CB-CG 3.88Å
83	P	94.1	Very high	86.1	Confident	44 Å²	44	79.5 Å²	79.5	29%	0.286	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-61.8	153	-179.7	23.7	-30.3	0	0	0	111	S85 Y86 K151 W155	P83-S85 PolarHBondContact O-N 2.93Å; P83-Y86 WeakPolarHBondContact O-CB 3.33Å; P83-Y86 PolarHBondContact O-N 2.78Å; P83-K151 PolarHBondContact O-NZ 3.09Å; P83-W155 HydrophobicContact CG-CD2 4.21Å; P83-W155 HydrophobicContact CG-CE3 4.35Å; P83-W155 HydrophobicContact CG-CH2 4.05Å; P83-W155 HydrophobicContact CG-CZ2 3.85Å; P83-W155 HydrophobicContact CG-CZ3 4.28Å
84	S	89.9	Confident	86.7	Confident	122 Å²	122	73.3 Å²	73.3	85%	0.853	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.5	-179.4	50.4	0	0	0	0	112.3	Y86	S84-Y86 VanDerWaalsContact C-N 3.26Å; S84-Y86 PolarHBondContact O-N 2.78Å
85	S	92.5	Very high	86.6	Confident	102 Å²	102	72.5 Å²	72.5	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.3	174.4	54.9	0	0	0	0	115.3	P83 E87	P83-S85 PolarHBondContact O-N 2.93Å; S85-E87 PolarHBondContact O-N 3.34Å
86	Y	93.9	Very high	85.4	Confident	35 Å²	35	69.4 Å²	69.4	14%	0.137	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-80.4	119.4	177.8	-170.5	-121	0	0	0	111.1	A82 P83 S84 L88 K151 H154 W155 G159	A82-Y86 HydrophobicContact CB-CD1 4.15Å; P83-Y86 WeakPolarHBondContact O-CB 3.33Å; P83-Y86 PolarHBondContact O-N 2.78Å; S84-Y86 VanDerWaalsContact C-N 3.26Å; S84-Y86 PolarHBondContact O-N 2.78Å; Y86-L88 HydrophobicContact CE1-CD2 4.4Å; Y86-K151 HydrophobicContact CD1-CG 4.3Å; Y86-K151 WeakPolarHBondContact O-CE 3.34Å; Y86-K151 PolarHBondContact O-NZ 3.46Å; Y86-H154 AromaticContact CE1-ND1 3.78Å; Y86-H154 AromaticContact CZ-ND1 3.65Å; Y86-H154 PolarHBondContact OH-CE1 3.34Å; Y86-H154 VanDerWaalsContact OH-CE1 3.31Å; Y86-H154 PolarHBondContact OH-ND1 3.16Å; Y86-H154 PolarHBondContact OH-O 2.77Å; Y86-W155 HydrophobicContact CD1-CB 3.85Å; Y86-W155 HydrophobicContact CD1-CE3 4.02Å; Y86-W155 AromaticContact CD2-CE3 3.47Å; Y86-W155 HydrophobicContact CD2-CE3 3.47Å; Y86-W155 VanDerWaalsContact CD2-CE3 3.47Å; Y86-W155 AromaticContact CD2-CZ3 3.79Å; Y86-W155 HydrophobicContact CD2-CZ3 3.79Å; Y86-W155 HydrophobicContact CE1-CB 3.8Å; Y86-W155 HydrophobicContact CE1-CE3 4.22Å; Y86-W155 AromaticContact CE2-CE3 3.7Å; Y86-W155 HydrophobicContact CE2-CE3 3.7Å; Y86-W155 HydrophobicContact CE2-CZ3 4.12Å; Y86-W155 HydrophobicContact CG-CD2 4.43Å; Y86-W155 AromaticContact CG-CE3 3.64Å; Y86-W155 HydrophobicContact CG-CE3 3.64Å; Y86-W155 HydrophobicContact CG-CZ3 4.28Å; Y86-G159 WeakPolarHBondContact OH-CA 3.44Å; Y86-G159 PolarHBondContact OH-N 2.79Å
87	E	92.9	Very high	83.7	Confident	170 Å²	170	74.8 Å²	74.8	79%	0.794	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-99	135.5	172.6	-64.5	-170.9	171.7	0	0	110.3	S85	S85-E87 PolarHBondContact O-N 3.34Å
88	L	92.8	Very high	81.6	Confident	66 Å²	66	80.2 Å²	80.2	35%	0.346	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-75.3	147	172.3	-80.9	171.3	0	0	0	110.3	Y86 K90 K151 H154	Y86-L88 HydrophobicContact CE1-CD2 4.4Å; L88-K90 PolarHBondContact O-N 3.14Å; L88-K151 HydrophobicContact CD1-CB 4Å; L88-K151 HydrophobicContact CD1-CG 4.19Å; L88-K151 HydrophobicContact CG-CB 4.4Å; L88-K151 HydrophobicContact CG-CG 4.11Å; L88-H154 HydrophobicContact CD2-CB 3.67Å
89	P	91.3	Very high	79.6	Confident	39 Å²	39	82.1 Å²	82.1	25%	0.253	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-52.8	140.4	166.5	-23.5	34.3	0	0	0	110.6	P91 H154 N246	P89-P91 VanDerWaalsContact O-CD 3.29Å; P89-P91 WeakPolarHBondContact O-CD 3.44Å; P89-H154 VanDerWaalsContact CD-CE1 3.44Å; P89-H154 WeakPolarHBondContact CD-CE1 3.4Å; P89-N246 HydrophobicContact CB-CB 3.73Å
90	K	89	Confident	77.6	Confident	179 Å²	179	84 Å²	84	78%	0.778	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-63.8	122	173.7	-174.4	-178.3	-177.1	-178	0	108.5	L88 N246	L88-K90 PolarHBondContact O-N 3.14Å; K90-N246 WeakPolarHBondContact O-CB 3.26Å; K90-N246 PolarHBondContact O-OD1 3.09Å
91	P	86.6	Confident	76	Confident	52 Å²	52	81 Å²	81	34%	0.338	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-58.9	147.7	175.7	-24.2	34.9	0	0	0	111.1	P89 H243 Y244	P89-P91 VanDerWaalsContact O-CD 3.29Å; P89-P91 WeakPolarHBondContact O-CD 3.44Å; P91-H243 WeakPolarHBondContact CA-O 3.38Å; P91-Y244 HydrophobicContact CB-CD1 4.48Å; P91-Y244 HydrophobicContact CB-CG 4.45Å; P91-Y244 HydrophobicContact CG-CD1 3.82Å; P91-Y244 HydrophobicContact CG-CE1 4.04Å; P91-Y244 HydrophobicContact CG-CG 4.22Å
92	L	84	Confident	74	Confident	59 Å²	59	88.1 Å²	88.1	31%	0.309	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-64.2	173.5	173.4	-70.8	167.5	0	0	0	110.5	H243 N246 P248	L92-H243 VanDerWaalsContact C-CE1 3.42Å; L92-H243 PolarHBondContact N-O 3.03Å; L92-H243 PolarHBondContact O-CE1 2.84Å; L92-H243 PolarHBondContact O-NE2 2.8Å; L92-N246 VanDerWaalsContact CD2-OD1 3.26Å; L92-N246 WeakPolarHBondContact CD2-OD1 3.46Å; L92-P248 HydrophobicContact CD1-CB 4.27Å; L92-P248 HydrophobicContact CD1-CG 4.05Å
93	T	73.5	Confident	72.5	Confident	124 Å²	124	93 Å²	93	76%	0.761	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-86	129.1	170.6	-44.3	0	0	0	0	108.2	S95	T93-S95 PolarHBondContact O-N 3.12Å
94	P	62	Low	71.4	Confident	86 Å²	86	91.7 Å²	91.7	56%	0.558	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-60.8	129.4	-177.8	21.6	-32.3	0	0	0	110.7
95	S	55.6	Low	70.7	Confident	77 Å²	77	94.5 Å²	94.5	54%	0.538	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-89.1	138.2	176.4	-52.5	0	0	0	0	108.9	T93	T93-S95 PolarHBondContact O-N 3.12Å
96	P	50.8	Low	70.3	Confident	100 Å²	100	91.7 Å²	91.7	65%	0.649	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61	145.8	173.8	22.2	-32.1	0	0	0	112.2	N98 I99	P96-N98 PolarHBondContact O-N 2.79Å; P96-I99 HydrophobicContact CG-CD1 4.07Å; P96-I99 HydrophobicContact CG-CG1 4.29Å; P96-I99 WeakPolarHBondContact O-CD1 3.37Å; P96-I99 WeakPolarHBondContact O-CG1 3.5Å
97	I	50.2	Low	69.9	Low	139 Å²	139	93.8 Å²	93.8	71%	0.713	51%	0.511	S	S	*	.	S	Bend	trans	-68.8	1	-162.7	-67.6	166	0	0	0	115.3
98	N	45.4	Very low	69.7	Low	136 Å²	136	86.7 Å²	86.7	73%	0.727	48%	0.478	S	S	*	.			trans	-139.5	88.4	-179.4	-73.3	-30.3	0	0	0	110.4	P96 K253	P96-N98 PolarHBondContact O-N 2.79Å; N98-K253 PolarHBondContact OD1-NZ 3.44Å
99	I	50.3	Low	69.5	Low	53 Å²	53	86.5 Å²	86.5	27%	0.272	48%	0.478	S	S	.	.			trans	-120.9	130.7	-179.2	-71.7	171.5	0	0	0	109.7	P96 L103 I104	P96-I99 HydrophobicContact CG-CD1 4.07Å; P96-I99 HydrophobicContact CG-CG1 4.29Å; P96-I99 WeakPolarHBondContact O-CD1 3.37Å; P96-I99 WeakPolarHBondContact O-CG1 3.5Å; I99-L103 HydrophobicContact CG2-CD1 4.09Å; I99-L103 HydrophobicContact CG2-CD2 4.09Å; I99-L103 HydrophobicContact CG2-CG 4.4Å; I99-I104 HydrophobicContact CG2-CG1 3.82Å
100	S	53.5	Low	69.3	Low	65 Å²	65	90.1 Å²	90.1	46%	0.455	49%	0.491	S	S	.	.			trans	-61.1	143.5	169.1	171.5	0	0	0	0	110.2	Q102 L103	S100-Q102 PolarHBondContact O-N 3.38Å; S100-L103 PolarHBondContact O-N 3.29Å
101	S	58.1	Low	69.3	Low	19 Å²	19	86.5 Å²	86.5	13%	0.133	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-47.3	-26.2	178.2	33.8	0	0	0	0	114.8	D366	S101-D366 WeakPolarHBondContact CB-OD2 3.33Å; S101-D366 PolarHBondContact OG-OD2 3.47Å
102	Q	54.2	Low	69.5	Low	174 Å²	174	89.1 Å²	89.1	81%	0.813	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-68.3	-26	176.2	-63.9	-177.3	-0.5	0	0	115.5	S100	S100-Q102 PolarHBondContact O-N 3.38Å
103	L	62.1	Low	69.9	Low	112 Å²	112	88 Å²	88	59%	0.586	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-117.3	20.1	179.5	60.8	-32.9	0	0	0	116.6	I99 S100	I99-L103 HydrophobicContact CG2-CD1 4.09Å; I99-L103 HydrophobicContact CG2-CD2 4.09Å; I99-L103 HydrophobicContact CG2-CG 4.4Å; S100-L103 PolarHBondContact O-N 3.29Å
104	I	71.8	Confident	70.7	Confident	16 Å²	16	84.5 Å²	84.5	8%	0.082	47%	0.466	C	S	.	.	S	Bend	trans	-73.3	140.4	161.1	-53.3	-173.9	0	0	0	109.7	I99 P106 S107 V250 W313 W369	I99-I104 HydrophobicContact CG2-CG1 3.82Å; I104-P106 CarbonylContact O-C 3.19Å; I104-S107 WeakPolarHBondContact O-CA 3.41Å; I104-S107 PolarHBondContact O-N 2.96Å; I104-V250 HydrophobicContact CG2-CG1 4.28Å; I104-W313 HydrophobicContact CG2-CH2 4.09Å; I104-W313 HydrophobicContact CG2-CZ2 3.68Å; I104-W369 HydrophobicContact CD1-CZ2 3.5Å
105	K	73.5	Confident	72.1	Confident	182 Å²	182	85.4 Å²	85.4	79%	0.791	47%	0.469	S	S	*	.	S	Bend	trans	-124.8	122.7	176.6	-67.4	-175	-179.6	-179.6	0	110.7
106	P	85.6	Confident	73.6	Confident	43 Å²	43	84.4 Å²	84.4	28%	0.279	46%	0.456	S	S	.	.	S	Bend	cis	-66.5	151.1	-6.6	-22.9	37.7	0	0	0	113.2	I104 Y308 W313	I104-P106 CarbonylContact O-C 3.19Å; P106-Y308 HydrophobicContact CB-CD2 4.03Å; P106-Y308 HydrophobicContact CB-CE1 4.44Å; P106-Y308 HydrophobicContact CB-CE2 3.72Å; P106-Y308 HydrophobicContact CB-CG 4.49Å; P106-Y308 HydrophobicContact CG-CD1 3.78Å; P106-Y308 HydrophobicContact CG-CD2 3.87Å; P106-Y308 HydrophobicContact CG-CE1 3.72Å; P106-Y308 HydrophobicContact CG-CE2 3.82Å; P106-Y308 HydrophobicContact CG-CG 3.83Å; P106-W313 VanDerWaalsContact O-CZ2 3.25Å; P106-W313 WeakPolarHBondContact O-CZ2 3.34Å; P106-W313 PolarHBondContact O-NE1 3.2Å
107	S	85.6	Confident	75.1	Confident	78 Å²	78	81.7 Å²	81.7	55%	0.545	44%	0.436	S	S	.	.			trans	-64.9	155	177.9	52.6	0	0	0	0	112.2	I104 D109	I104-S107 WeakPolarHBondContact O-CA 3.41Å; I104-S107 PolarHBondContact O-N 2.96Å; S107-D109 PolarHBondContact O-N 2.83Å; S107-D109 VanDerWaalsContact O-N 3.15Å
108	L	87.8	Confident	76.5	Confident	22 Å²	22	82 Å²	82	12%	0.115	44%	0.437	C	S	.	.			trans	-69.4	110.1	174.2	-105	67.7	0	0	0	111	Q110 F113 W313 N368 W369 M371	L108-Q110 PolarHBondContact O-N 3.09Å; L108-F113 HydrophobicContact CD2-CE1 4.26Å; L108-F113 HydrophobicContact CD2-CZ 4.12Å; L108-F113 HydrophobicContact CG-CE1 4.45Å; L108-W313 HydrophobicContact CD1-CD2 4.28Å; L108-W313 HydrophobicContact CD1-CG 4.02Å; L108-N368 HydrophobicContact CD2-CB 3.98Å; L108-N368 VanDerWaalsContact CD2-O 3.32Å; L108-N368 WeakPolarHBondContact CD2-O 3.34Å; L108-W369 HydrophobicContact CD1-CE3 4.2Å; L108-W369 HydrophobicContact CD1-CH2 3.49Å; L108-W369 VanDerWaalsContact CD1-CH2 3.49Å; L108-W369 HydrophobicContact CD1-CZ2 3.95Å; L108-W369 HydrophobicContact CD1-CZ3 3.62Å; L108-W369 HydrophobicContact CD2-CD2 4.1Å; L108-W369 HydrophobicContact CD2-CE3 3.88Å; L108-W369 HydrophobicContact CD2-CZ3 4.12Å; L108-W369 HydrophobicContact CG-CZ3 4.38Å; L108-M371 HydrophobicContact CD2-CG 4.5Å
109	D	88.3	Confident	78.2	Confident	62 Å²	62	76 Å²	76	33%	0.332	41%	0.406	S	S	.	.			trans	-79	96.5	175.4	178.9	1.5	0	0	0	110.4	S107 S111 K112	S107-D109 PolarHBondContact O-N 2.83Å; S107-D109 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact CG-OG 3.3Å; D109-S111 PolarHBondContact O-N 2.81Å; D109-S111 VanDerWaalsContact O-N 3.09Å; D109-S111 VanDerWaalsContact OD1-CB 3.29Å; D109-S111 WeakPolarHBondContact OD1-CB 3.44Å; D109-S111 PolarHBondContact OD1-N 3.44Å; D109-S111 PolarHBondContact OD1-OG 3.15Å; D109-S111 PolarHBondContact OD2-OG 3.23Å; D109-K112 HydrophobicContact CB-CD 4.2Å; D109-K112 PolarHBondContact O-N 2.88Å; D109-K112 VanDerWaalsContact OD2-CD 3.28Å; D109-K112 WeakPolarHBondContact OD2-CD 3.36Å; D109-K112 WeakPolarHBondContact OD2-CE 3.12Å; D109-K112 IonicContact OD2-NZ 3.54Å; D109-K112 PolarHBondContact OD2-NZ 3.21Å; D109-K112 VanDerWaalsContact OD2-NZ 3.13Å
110	Q	87.8	Confident	79.5	Confident	115 Å²	115	76.5 Å²	76.5	54%	0.537	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-61.4	-14.6	179.6	-64.4	-172.1	-12	0	0	113.9	L108 K112 F113 N368	L108-Q110 PolarHBondContact O-N 3.09Å; Q110-K112 PolarHBondContact O-N 3.32Å; Q110-F113 HydrophobicContact CB-CD2 4.37Å; Q110-F113 HydrophobicContact CB-CE2 4.23Å; Q110-F113 HydrophobicContact CB-CZ 4.33Å; Q110-F113 HydrophobicContact CG-CD2 4.42Å; Q110-F113 HydrophobicContact CG-CE1 4.36Å; Q110-F113 HydrophobicContact CG-CE2 3.8Å; Q110-F113 HydrophobicContact CG-CZ 3.77Å; Q110-F113 PolarHBondContact O-N 3.1Å; Q110-N368 PolarHBondContact NE2-OD1 2.95Å
111	S	89.7	Confident	80	Confident	102 Å²	102	81 Å²	81	71%	0.713	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-72.4	-19.8	174.6	77	0	0	0	0	112.9	D109	D109-S111 VanDerWaalsContact CG-OG 3.3Å; D109-S111 PolarHBondContact O-N 2.81Å; D109-S111 VanDerWaalsContact O-N 3.09Å; D109-S111 VanDerWaalsContact OD1-CB 3.29Å; D109-S111 WeakPolarHBondContact OD1-CB 3.44Å; D109-S111 PolarHBondContact OD1-N 3.44Å; D109-S111 PolarHBondContact OD1-OG 3.15Å; D109-S111 PolarHBondContact OD2-OG 3.23Å
112	K	89.1	Confident	80	Confident	108 Å²	108	82.3 Å²	82.3	47%	0.47	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-94.7	6.1	178.4	-66	173.9	-177.7	154.6	0	113.7	D109 Q110 N311	D109-K112 HydrophobicContact CB-CD 4.2Å; D109-K112 PolarHBondContact O-N 2.88Å; D109-K112 VanDerWaalsContact OD2-CD 3.28Å; D109-K112 WeakPolarHBondContact OD2-CD 3.36Å; D109-K112 WeakPolarHBondContact OD2-CE 3.12Å; D109-K112 IonicContact OD2-NZ 3.54Å; D109-K112 PolarHBondContact OD2-NZ 3.21Å; D109-K112 VanDerWaalsContact OD2-NZ 3.13Å; Q110-K112 PolarHBondContact O-N 3.32Å; K112-N311 PolarHBondContact NZ-O 2.87Å
113	F	93.2	Very high	80.1	Confident	34 Å²	34	76.6 Å²	76.6	15%	0.149	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-69.7	138.5	179.7	-75.8	10.3	0	0	0	111.5	L108 Q110 N368 M371 K373	L108-F113 HydrophobicContact CD2-CE1 4.26Å; L108-F113 HydrophobicContact CD2-CZ 4.12Å; L108-F113 HydrophobicContact CG-CE1 4.45Å; Q110-F113 HydrophobicContact CB-CD2 4.37Å; Q110-F113 HydrophobicContact CB-CE2 4.23Å; Q110-F113 HydrophobicContact CB-CZ 4.33Å; Q110-F113 HydrophobicContact CG-CD2 4.42Å; Q110-F113 HydrophobicContact CG-CE1 4.36Å; Q110-F113 HydrophobicContact CG-CE2 3.8Å; Q110-F113 HydrophobicContact CG-CZ 3.77Å; Q110-F113 PolarHBondContact O-N 3.1Å; F113-N368 HydrophobicContact CZ-CB 4.39Å; F113-N368 WeakPolarHBondContact CZ-O 3.26Å; F113-M371 CarbonylContact C-O 3.58Å; F113-M371 VanDerWaalsContact CA-O 3.31Å; F113-M371 WeakPolarHBondContact CA-O 3.44Å; F113-M371 WeakPolarHBondContact CB-O 3.2Å; F113-M371 HydrophobicContact CD1-CB 4.06Å; F113-M371 HydrophobicContact CD1-CG 4.44Å; F113-M371 HydrophobicContact CE1-CB 4.23Å; F113-M371 HydrophobicContact CE1-CG 4.16Å; F113-M371 HydrophobicContact CG-CB 4.5Å; F113-K373 HydrophobicContact CB-CB 4.29Å
114	T	91	Very high	79.6	Confident	52 Å²	52	77.5 Å²	77.5	32%	0.319	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	151.3	-178.7	-46.9	0	0	0	0	110.5	A356 M371 L372 K373	T114-A356 HydrophobicContact CG2-CB 4.1Å; T114-M371 PolarHBondContact N-O 2.91Å; T114-L372 CarbonylContact O-C 3.52Å; T114-L372 VanDerWaalsContact O-CA 3.29Å; T114-L372 WeakPolarHBondContact O-CA 3.44Å; T114-L372 WeakPolarHBondContact O-CD2 3.23Å; T114-K373 PolarHBondContact O-N 2.84Å
115	T	90.7	Very high	78.6	Confident	104 Å²	104	80.2 Å²	80.2	64%	0.638	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	148.2	169.2	-53.1	0	0	0	0	109.9	A356	T115-A356 WeakPolarHBondContact O-CB 2.95Å
116	Q	87	Confident	77.5	Confident	57 Å²	57	75.4 Å²	75.4	27%	0.266	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-58	145.7	173.2	-60.2	-171.7	15	0	0	111.7	L372 P374 P375 V376	Q116-L372 HydrophobicContact CG-CD1 4.45Å; Q116-P374 WeakPolarHBondContact CG-O 3.38Å; Q116-P374 PolarHBondContact NE2-O 3.26Å; Q116-P375 VanDerWaalsContact NE2-C 3.35Å; Q116-P375 PolarHBondContact NE2-O 2.8Å; Q116-P375 VanDerWaalsContact NE2-O 3.15Å; Q116-V376 HydrophobicContact CG-CG2 4.18Å
117	L	82.5	Confident	76	Confident	43 Å²	43	75.8 Å²	75.8	23%	0.225	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-72.3	130.4	176.8	-77.7	179.2	0	0	0	112.5	I119 A356 K357 F392	L117-I119 HydrophobicContact CB-CD1 4.4Å; L117-I119 HydrophobicContact CB-CG1 3.84Å; L117-I119 HydrophobicContact CD1-CD1 4.49Å; L117-I119 PolarHBondContact O-N 2.9Å; L117-A356 HydrophobicContact CD1-CB 4.39Å; L117-A356 WeakPolarHBondContact CD1-O 3.49Å; L117-A356 HydrophobicContact CD2-CB 4.49Å; L117-A356 HydrophobicContact CG-CB 3.73Å; L117-K357 HydrophobicContact CD1-CB 4.41Å; L117-K357 HydrophobicContact CD1-CG 3.47Å; L117-K357 VanDerWaalsContact CD1-CG 3.47Å; L117-F392 HydrophobicContact CD1-CE1 4.27Å
118	I	79.8	Confident	74.7	Confident	144 Å²	144	73.1 Å²	73.1	74%	0.738	41%	0.414	S	S	*	.			trans	-88.1	93.6	163.5	-55.4	171	0	0	0	107.8	N120	I118-N120 HydrophobicContact CG2-CB 4.43Å; I118-N120 PolarHBondContact O-N 3.16Å
119	I	80.2	Confident	73.3	Confident	12 Å²	12	78.8 Å²	78.8	6%	0.062	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.5	-174.6	-61.7	-165.6	0	0	0	113	L117 K121 Y360 L387 F391 F392 G397 L398	L117-I119 HydrophobicContact CB-CD1 4.4Å; L117-I119 HydrophobicContact CB-CG1 3.84Å; L117-I119 HydrophobicContact CD1-CD1 4.49Å; L117-I119 PolarHBondContact O-N 2.9Å; I119-K121 PolarHBondContact O-N 3.33Å; I119-K121 VanDerWaalsContact O-N 3.1Å; I119-Y360 HydrophobicContact CD1-CD2 4.25Å; I119-Y360 HydrophobicContact CD1-CE1 3.88Å; I119-Y360 HydrophobicContact CD1-CE2 3.51Å; I119-Y360 VanDerWaalsContact CD1-OH 3.32Å; I119-Y360 WeakPolarHBondContact CD1-OH 3.3Å; I119-L387 HydrophobicContact CD1-CD1 3.43Å; I119-L387 VanDerWaalsContact CD1-CD1 3.43Å; I119-F391 HydrophobicContact CG2-CE1 3.7Å; I119-F391 HydrophobicContact CG2-CZ 3.74Å; I119-F392 HydrophobicContact CD1-CE1 4.17Å; I119-G397 CarbonylContact O-C 3.48Å; I119-G397 WeakPolarHBondContact O-CA 3.27Å; I119-L398 HydrophobicContact CB-CD1 4.32Å; I119-L398 HydrophobicContact CG2-CB 4Å; I119-L398 HydrophobicContact CG2-CD1 3.63Å; I119-L398 HydrophobicContact CG2-CG 3.56Å; I119-L398 PolarHBondContact O-N 3.38Å
120	N	77.1	Confident	72.2	Confident	62 Å²	62	77.1 Å²	77.1	33%	0.332	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	9.3	-174.3	-59.1	5.6	0	0	0	114.8	I118 L398 L399 Q402	I118-N120 HydrophobicContact CG2-CB 4.43Å; I118-N120 PolarHBondContact O-N 3.16Å; N120-L398 WeakPolarHBondContact CA-O 3.27Å; N120-L398 PolarHBondContact OD1-O 3.45Å; N120-L399 VanDerWaalsContact O-CD2 3.32Å; N120-L399 WeakPolarHBondContact O-CD2 2.87Å; N120-Q402 PolarHBondContact ND2-NE2 2.69Å
121	K	64.7	Low	71.7	Confident	161 Å²	161	75.3 Å²	75.3	70%	0.7	43%	0.429	S	S	*	.	S	Bend	trans	-141.1	148.9	173.3	-72.3	-173.4	178.1	178.6	0	109.9	I119 T123	I119-K121 PolarHBondContact O-N 3.33Å; I119-K121 VanDerWaalsContact O-N 3.1Å; K121-T123 PolarHBondContact O-N 3.02Å
122	P	58.8	Low	71.4	Confident	46 Å²	46	74.9 Å²	74.9	30%	0.299	42%	0.424	S	S	.	.			trans	-68	125.6	172.6	29.4	-30.2	0	0	0	108.3	S124 S417	P122-S124 PolarHBondContact O-N 2.97Å; P122-S417 WeakPolarHBondContact CD-OG 3.42Å
123	T	56.3	Low	71.4	Confident	53 Å²	53	71.1 Å²	71.1	33%	0.325	41%	0.41	S	S	.	.			trans	-69.3	101	-175.4	-19.5	0	0	0	0	109.5	K121 G125 D126	K121-T123 PolarHBondContact O-N 3.02Å; T123-G125 PolarHBondContact O-N 2.63Å; T123-D126 HydrophobicContact CG2-CB 3.77Å
124	S	50.9	Low	71.5	Confident	132 Å²	132	70.1 Å²	70.1	92%	0.923	41%	0.406	S	S	*	.	S	Bend	trans	-75.4	31.2	-167.7	55.9	0	0	0	0	115.1	P122	P122-S124 PolarHBondContact O-N 2.97Å
125	G	50.8	Low	71.6	Confident	72 Å²	72	71.4 Å²	71.4	74%	0.742	42%	0.416	S	S	*	.	S	Bend	trans	179.6	-34.3	179.8	0	0	0	0	0	112.8	T123 N127	T123-G125 PolarHBondContact O-N 2.63Å; G125-N127 VanDerWaalsContact C-N 3.34Å; G125-N127 PolarHBondContact O-N 3.37Å
126	D	50.5	Low	71.8	Confident	82 Å²	82	70.3 Å²	70.3	44%	0.439	41%	0.406	S	S	.	.			trans	-96.2	52.5	-179.2	-169.9	54.5	0	0	0	112.3	T123 H128 K357	T123-D126 HydrophobicContact CG2-CB 3.77Å; D126-H128 PolarHBondContact O-N 3.47Å; D126-K357 IonicContact OD2-NZ 2.68Å; D126-K357 PolarHBondContact OD2-NZ 2.75Å
127	N	53.6	Low	72.2	Confident	51 Å²	51	67.6 Å²	67.6	27%	0.273	39%	0.393	S	S	.	.			trans	-60.2	126.2	156.2	-76	-20.1	0	0	0	106.5	G125 I129 G395	G125-N127 VanDerWaalsContact C-N 3.34Å; G125-N127 PolarHBondContact O-N 3.37Å; N127-I129 PolarHBondContact O-N 2.89Å; N127-G395 WeakPolarHBondContact OD1-CA 3.43Å
128	H	58	Low	72.8	Confident	22 Å²	22	71 Å²	71	10%	0.102	40%	0.403	C	S	.	.			trans	-69.3	86.8	171.2	-176.5	-69.2	0	0	0	108.6	D126 A130 F349 K357 F392	D126-H128 PolarHBondContact O-N 3.47Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact ND1-N 3.45Å; H128-A130 PolarHBondContact O-N 3.5Å; H128-F349 AromaticContact ND1-CD2 3.98Å; H128-K357 HydrophobicContact CB-CD 3.89Å; H128-F392 HydrophobicContact CB-CB 4.41Å
129	I	59	Low	73.4	Confident	140 Å²	140	71.3 Å²	71.3	72%	0.718	40%	0.402	S	S	*	.			trans	-65	96.9	166.4	-56.8	178.3	0	0	0	105.1	N127 Q131	N127-I129 PolarHBondContact O-N 2.89Å; I129-Q131 PolarHBondContact O-N 3.4Å; I129-Q131 VanDerWaalsContact O-N 3.11Å
130	A	65	Low	74.1	Confident	27 Å²	27	72 Å²	72	22%	0.223	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-53	122.6	172.4	0	0	0	0	0	107.4	H128 M348	H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact ND1-N 3.45Å; H128-A130 PolarHBondContact O-N 3.5Å; A130-M348 HydrophobicContact CB-CB 4.34Å
131	Q	77	Confident	74.9	Confident	77 Å²	77	69.6 Å²	69.6	36%	0.36	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-54.1	137.2	-179.4	-68.8	-69	-37	0	0	108.3	I129 V133 R171 M348 F351	I129-Q131 PolarHBondContact O-N 3.4Å; I129-Q131 VanDerWaalsContact O-N 3.11Å; Q131-V133 PolarHBondContact O-N 3.16Å; Q131-R171 VanDerWaalsContact CD-NH2 3.34Å; Q131-M348 HydrophobicContact CB-CE 4.32Å; Q131-M348 WeakPolarHBondContact O-CB 3.45Å; Q131-M348 WeakPolarHBondContact O-CG 3.38Å; Q131-F351 HydrophobicContact CB-CD1 4.02Å; Q131-F351 HydrophobicContact CB-CE1 4.3Å; Q131-F351 HydrophobicContact CG-CD1 4.11Å; Q131-F351 HydrophobicContact CG-CE1 4.17Å
132	P	84.5	Confident	76.1	Confident	93 Å²	93	67.8 Å²	67.8	60%	0.604	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-60.3	142.4	179.6	26.1	-33.9	0	0	0	109.7	D134	P132-D134 PolarHBondContact O-N 3.02Å
133	V	89.6	Confident	77.6	Confident	30 Å²	30	67.2 Å²	67.2	18%	0.182	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-57.7	130.6	167.3	-174.4	0	0	0	0	107.1	Q131 P135 R138 T346 M348	Q131-V133 PolarHBondContact O-N 3.16Å; V133-P135 WeakPolarHBondContact O-CD 3.39Å; V133-P135 VanDerWaalsContact O-N 3.15Å; V133-R138 HydrophobicContact CG1-CB 4.02Å; V133-T346 HydrophobicContact CG2-CG2 4.2Å; V133-M348 HydrophobicContact CB-CG 4.28Å; V133-M348 HydrophobicContact CG2-CG 3.47Å; V133-M348 VanDerWaalsContact CG2-CG 3.47Å; V133-M348 HydrophobicContact CG2-SD 4.12Å
134	D	94.2	Very high	79.2	Confident	12 Å²	12	70 Å²	70	6%	0.064	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.1	117.3	176.6	179	-32.1	0	0	0	108.9	P132 D136 A137 R138 R161 A172 S175	P132-D134 PolarHBondContact O-N 3.02Å; D134-D136 PolarHBondContact OD1-N 2.84Å; D134-A137 HydrophobicContact CB-CB 3.72Å; D134-A137 PolarHBondContact O-N 2.87Å; D134-A137 PolarHBondContact OD1-N 3.29Å; D134-A137 VanDerWaalsContact OD1-N 3.07Å; D134-R138 WeakPolarHBondContact O-CB 3.27Å; D134-R138 PolarHBondContact O-N 2.89Å; D134-R161 IonicContact OD1-CZ 3.71Å; D134-R161 IonicContact OD1-NH1 3.9Å; D134-R161 IonicContact OD1-NH2 3.59Å; D134-R161 PolarHBondContact OD1-NH2 2.7Å; D134-R161 IonicContact OD2-CZ 2.72Å; D134-R161 VanDerWaalsContact OD2-CZ 3.31Å; D134-R161 IonicContact OD2-NH1 2.63Å; D134-R161 PolarHBondContact OD2-NH1 3.3Å; D134-R161 IonicContact OD2-NH2 3.89Å; D134-R161 PolarHBondContact OD2-NH2 3.03Å; D134-A172 WeakPolarHBondContact OD2-CA 3.16Å; D134-A172 WeakPolarHBondContact OD2-CB 3.28Å; D134-S175 WeakPolarHBondContact CB-OG 3.5Å; D134-S175 PolarHBondContact N-OG 3.37Å; D134-S175 VanDerWaalsContact N-OG 3.09Å
135	P	94	Very high	81.1	Confident	79 Å²	79	66.3 Å²	66.3	51%	0.513	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-42	-170.7	26.9	-33.6	0	0	0	111.8	V133 A137 R138 E139	V133-P135 WeakPolarHBondContact O-CD 3.39Å; V133-P135 VanDerWaalsContact O-N 3.15Å; P135-A137 VanDerWaalsContact C-N 3.33Å; P135-A137 PolarHBondContact O-N 3.43Å; P135-R138 PolarHBondContact O-N 2.82Å; P135-E139 WeakPolarHBondContact O-CB 3.4Å; P135-E139 PolarHBondContact O-N 3.47Å
136	D	94.9	Very high	83.2	Confident	82 Å²	82	64.8 Å²	64.8	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-42.2	179.8	-50.2	-34.4	0	0	0	109.9	D134 E139 L140 R161	D134-D136 PolarHBondContact OD1-N 2.84Å; D136-E139 PolarHBondContact O-N 3.09Å; D136-L140 WeakPolarHBondContact O-CB 3.31Å; D136-L140 PolarHBondContact O-N 2.74Å; D136-R161 IonicContact OD2-CZ 3.52Å; D136-R161 IonicContact OD2-NE 3.89Å; D136-R161 PolarHBondContact OD2-NE 2.93Å; D136-R161 IonicContact OD2-NH2 2.62Å; D136-R161 PolarHBondContact OD2-NH2 2.89Å
137	A	95.8	Very high	85.3	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-40.6	176.3	0	0	0	0	0	112.4	D134 P135 A141 L157 A172 W176	D134-A137 HydrophobicContact CB-CB 3.72Å; D134-A137 PolarHBondContact O-N 2.87Å; D134-A137 PolarHBondContact OD1-N 3.29Å; D134-A137 VanDerWaalsContact OD1-N 3.07Å; P135-A137 VanDerWaalsContact C-N 3.33Å; P135-A137 PolarHBondContact O-N 3.43Å; A137-A141 WeakPolarHBondContact O-CB 3.35Å; A137-A141 PolarHBondContact O-N 2.7Å; A137-L157 HydrophobicContact CB-CD2 3.76Å; A137-A172 WeakPolarHBondContact CB-O 3.4Å; A137-W176 HydrophobicContact CB-CB 4.06Å
138	R	93.9	Very high	87.3	Confident	115 Å²	115	58.8 Å²	58.8	43%	0.434	32%	0.315	S	S	.	.	H	α-helix	trans	-70	-39.5	176.7	179.9	173.7	71.1	168.9	3.7	112.3	V133 D134 P135 A141 R142 S179	V133-R138 HydrophobicContact CG1-CB 4.02Å; D134-R138 WeakPolarHBondContact O-CB 3.27Å; D134-R138 PolarHBondContact O-N 2.89Å; P135-R138 PolarHBondContact O-N 2.82Å; R138-A141 PolarHBondContact O-N 3.01Å; R138-R142 WeakPolarHBondContact O-CB 3.41Å; R138-R142 WeakPolarHBondContact O-CG 3.31Å; R138-R142 PolarHBondContact O-N 3.07Å; R138-R142 VanDerWaalsContact O-N 3.08Å; R138-S179 WeakPolarHBondContact CG-OG 3.2Å
139	E	93.5	Very high	89	Confident	150 Å²	150	58.1 Å²	58.1	70%	0.701	31%	0.313	S	S	*	.	H	α-helix	trans	-62.5	-48.2	175.4	-174.1	172.6	168.2	0	0	110.3	P135 D136 A141 R142 G143	P135-E139 WeakPolarHBondContact O-CB 3.4Å; P135-E139 PolarHBondContact O-N 3.47Å; D136-E139 PolarHBondContact O-N 3.09Å; E139-A141 VanDerWaalsContact C-N 3.3Å; E139-A141 PolarHBondContact O-N 3.33Å; E139-R142 PolarHBondContact O-N 3.1Å; E139-G143 WeakPolarHBondContact O-CA 3.47Å; E139-G143 PolarHBondContact O-N 3.02Å
140	L	95	Very high	90.8	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-33.8	175.9	-177.7	59.9	0	0	0	113.3	L79 D136 L153 A156 L157	L79-L140 HydrophobicContact CD1-CD1 3.55Å; L79-L140 HydrophobicContact CD2-CD1 3.99Å; L79-L140 HydrophobicContact CD2-CD2 4.24Å; L79-L140 HydrophobicContact CG-CD1 4.37Å; D136-L140 WeakPolarHBondContact O-CB 3.31Å; D136-L140 PolarHBondContact O-N 2.74Å; L140-L153 HydrophobicContact CD2-CD1 3.79Å; L140-A156 HydrophobicContact CD2-CB 3.87Å; L140-L157 HydrophobicContact CD2-CD2 3.86Å; L140-L157 HydrophobicContact CD2-CG 4.13Å
141	A	93.5	Very high	92.3	Very high	11 Å²	11	53.1 Å²	53.1	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-75.1	-27.4	178.1	0	0	0	0	0	114.1	A137 R138 E139 W176 I180 P181	A137-A141 WeakPolarHBondContact O-CB 3.35Å; A137-A141 PolarHBondContact O-N 2.7Å; R138-A141 PolarHBondContact O-N 3.01Å; E139-A141 VanDerWaalsContact C-N 3.3Å; E139-A141 PolarHBondContact O-N 3.33Å; A141-W176 HydrophobicContact CB-CG 4.1Å; A141-W176 VanDerWaalsContact CB-O 3.3Å; A141-W176 WeakPolarHBondContact CB-O 3.41Å; A141-I180 HydrophobicContact CB-CG1 4.29Å; A141-P181 WeakPolarHBondContact O-CD 3.46Å
142	R	90.5	Very high	93.2	Very high	123 Å²	123	49.5 Å²	49.5	46%	0.464	26%	0.264	S	S	.	.	H	α-helix	trans	-103.7	-10.6	-177.9	-65.8	-176	176.9	-151.8	-3.4	113.7	R138 E139 S179 Y344	R138-R142 WeakPolarHBondContact O-CB 3.41Å; R138-R142 WeakPolarHBondContact O-CG 3.31Å; R138-R142 PolarHBondContact O-N 3.07Å; R138-R142 VanDerWaalsContact O-N 3.08Å; E139-R142 PolarHBondContact O-N 3.1Å; R142-S179 WeakPolarHBondContact CG-O 3.47Å; R142-S179 PolarHBondContact NE-O 3.3Å; R142-Y344 PolarHBondContact NH2-O 3.2Å
143	G	89.4	Confident	93.8	Very high	34 Å²	34	45.1 Å²	45.1	35%	0.351	24%	0.235	S	C	.	.	S	Bend	trans	-70.4	173.1	179.9	0	0	0	0	0	114	E139	E139-G143 WeakPolarHBondContact O-CA 3.47Å; E139-G143 PolarHBondContact O-N 3.02Å
144	T	89.5	Confident	94.2	Very high	112 Å²	112	43.9 Å²	43.9	69%	0.687	23%	0.228	S	C	*	.	S	Bend	trans	-82.8	-21.2	176.2	51.5	0	0	0	0	113.1
145	T	91.6	Very high	94.3	Very high	54 Å²	54	45.6 Å²	45.6	33%	0.331	23%	0.233	S	C	.	.			trans	-78.4	127.2	178.6	43.9	0	0	0	0	111.2	S77	S77-T145 WeakPolarHBondContact O-CA 3.4Å
146	K	93.5	Very high	94.5	Very high	40 Å²	40	42.8 Å²	42.8	17%	0.174	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-112.4	139	179.4	-65.3	-169.1	-174.9	-172.1	0	112.1	S77 L79 I185 L188	S77-K146 PolarHBondContact O-N 3.16Å; L79-K146 WeakPolarHBondContact CB-O 3.43Å; L79-K146 PolarHBondContact N-O 2.86Å; K146-I185 WeakPolarHBondContact CE-O 3.47Å; K146-I185 PolarHBondContact NZ-O 2.88Å; K146-L188 HydrophobicContact CB-CD1 4.21Å; K146-L188 HydrophobicContact CB-CD2 4.36Å; K146-L188 HydrophobicContact CB-CG 3.87Å; K146-L188 HydrophobicContact CD-CD2 3.95Å; K146-L188 HydrophobicContact CD-CG 4.23Å
147	P	95.9	Very high	94.6	Very high	3 Å²	3	39 Å²	39	2%	0.019	20%	0.196	C	C	.	.			trans	-62.2	137.1	168.6	27.4	-35.5	0	0	0	111.2	L79 L153 P186 F187 L188	L79-P147 HydrophobicContact CD2-CB 3.96Å; P147-L153 HydrophobicContact CB-CB 3.91Å; P147-L153 HydrophobicContact CG-CB 4.21Å; P147-L153 HydrophobicContact CG-CD1 4.33Å; P147-P186 WeakPolarHBondContact CD-O 3.18Å; P147-F187 HydrophobicContact CB-CD1 3.77Å; P147-F187 HydrophobicContact CB-CE1 3.77Å; P147-F187 HydrophobicContact CG-CD1 3.56Å; P147-F187 HydrophobicContact CG-CE1 3.63Å; P147-F187 HydrophobicContact CG-CG 4.27Å; P147-F187 HydrophobicContact CG-CZ 4.41Å; P147-F187 WeakPolarHBondContact O-CA 3.32Å; P147-L188 PolarHBondContact O-N 2.85Å
148	A	94.2	Very high	94.7	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.025	20%	0.199	C	C	.	.	S	Bend	trans	-76.3	-46	170.1	0	0	0	0	0	110.7	I193 A207 K211	A148-I193 HydrophobicContact CB-CD1 4.04Å; A148-A207 HydrophobicContact CB-CB 3.5Å; A148-K211 WeakPolarHBondContact O-CD 3.16Å; A148-K211 PolarHBondContact O-NZ 3.42Å
149	T	95.1	Very high	94.7	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.055	18%	0.181	C	C	.	.	S	Bend	trans	-128.7	165.7	-178.5	73.2	0	0	0	0	112.4	K151 D152 L153 F187 N210 K211 E221	T149-K151 PolarHBondContact O-N 2.77Å; T149-K151 WeakPolarHBondContact OG1-CB 3.24Å; T149-K151 PolarHBondContact OG1-N 3.13Å; T149-D152 WeakPolarHBondContact CA-OD2 3.34Å; T149-D152 WeakPolarHBondContact CB-OD2 3.5Å; T149-D152 PolarHBondContact N-OD2 3.03Å; T149-D152 PolarHBondContact O-N 2.87Å; T149-D152 PolarHBondContact OG1-N 2.64Å; T149-D152 PolarHBondContact OG1-OD2 3.48Å; T149-L153 PolarHBondContact O-N 3.03Å; T149-F187 WeakPolarHBondContact O-CE1 3.3Å; T149-N210 HydrophobicContact CG2-CB 4.16Å; T149-K211 HydrophobicContact CG2-CD 4.22Å; T149-E221 WeakPolarHBondContact CA-OE1 3.39Å
150	W	95.7	Very high	94.8	Very high	8 Å²	8	32.3 Å²	32.3	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-57.2	-34.5	170.3	166.8	-122	0	0	0	112.2	D152 L153 H154 L173 P220 E221 L241 Y244	W150-D152 VanDerWaalsContact C-N 3.3Å; W150-D152 PolarHBondContact O-N 3.21Å; W150-L153 HydrophobicContact CE3-CB 4.31Å; W150-L153 HydrophobicContact CE3-CD2 4.12Å; W150-L153 HydrophobicContact CE3-CG 4.49Å; W150-L153 HydrophobicContact CZ3-CD2 4.05Å; W150-L153 HydrophobicContact CZ3-CG 4.4Å; W150-L153 PolarHBondContact O-N 3.38Å; W150-H154 HydrophobicContact CD2-CB 4.25Å; W150-H154 HydrophobicContact CE3-CB 4.34Å; W150-H154 HydrophobicContact CH2-CB 4.21Å; W150-H154 AromaticContact CH2-CD2 3.59Å; W150-H154 HydrophobicContact CZ2-CB 4.09Å; W150-H154 AromaticContact CZ2-CD2 3.33Å; W150-H154 WeakPolarHBondContact CZ2-CD2 3.29Å; W150-H154 AromaticContact CZ2-CG 4Å; W150-H154 HydrophobicContact CZ3-CB 4.29Å; W150-H154 WeakPolarHBondContact O-CB 3.35Å; W150-H154 PolarHBondContact O-N 3.38Å; W150-L173 HydrophobicContact CH2-CD2 3.79Å; W150-L173 HydrophobicContact CZ3-CD2 4.13Å; W150-P220 HydrophobicContact CD2-CB 4.05Å; W150-P220 HydrophobicContact CD2-CG 3.78Å; W150-P220 HydrophobicContact CE3-CB 3.89Å; W150-P220 HydrophobicContact CE3-CG 4.05Å; W150-P220 HydrophobicContact CG-CB 4.37Å; W150-P220 HydrophobicContact CG-CG 4.07Å; W150-P220 HydrophobicContact CZ2-CG 4.38Å; W150-P220 HydrophobicContact CZ3-CB 4.41Å; W150-P220 HydrophobicContact CZ3-CG 4.48Å; W150-E221 HydrophobicContact CB-CG 3.96Å; W150-E221 VanDerWaalsContact N-CD 3.32Å; W150-E221 PolarHBondContact N-OE1 3.2Å; W150-L241 HydrophobicContact CE3-CD2 4.06Å; W150-L241 HydrophobicContact CH2-CD2 3.57Å; W150-L241 HydrophobicContact CZ3-CD2 3.23Å; W150-Y244 AromaticContact CD1-CD1 3.98Å; W150-Y244 AromaticContact NE1-CD1 3.92Å
151	K	96.1	Very high	94.9	Very high	53 Å²	53	34.4 Å²	34.4	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-43.4	178.7	-167.6	-173.6	164.6	172.5	0	111.1	A82 P83 Y86 L88 T149 W155	A82-K151 HydrophobicContact CB-CB 4.42Å; A82-K151 HydrophobicContact CB-CD 3.96Å; A82-K151 HydrophobicContact CB-CG 3.66Å; P83-K151 PolarHBondContact O-NZ 3.09Å; Y86-K151 HydrophobicContact CD1-CG 4.3Å; Y86-K151 WeakPolarHBondContact O-CE 3.34Å; Y86-K151 PolarHBondContact O-NZ 3.46Å; L88-K151 HydrophobicContact CD1-CB 4Å; L88-K151 HydrophobicContact CD1-CG 4.19Å; L88-K151 HydrophobicContact CG-CB 4.4Å; L88-K151 HydrophobicContact CG-CG 4.11Å; T149-K151 PolarHBondContact O-N 2.77Å; T149-K151 WeakPolarHBondContact OG1-CB 3.24Å; T149-K151 PolarHBondContact OG1-N 3.13Å; K151-W155 WeakPolarHBondContact O-CB 3.28Å; K151-W155 PolarHBondContact O-N 2.99Å
152	D	96.3	Very high	95	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-43.1	-178.9	-46.6	-48	0	0	0	111.3	P81 A82 T149 W150 W155 A156	P81-D152 WeakPolarHBondContact CA-OD1 3.41Å; A82-D152 PolarHBondContact N-OD1 3.45Å; T149-D152 WeakPolarHBondContact CA-OD2 3.34Å; T149-D152 WeakPolarHBondContact CB-OD2 3.5Å; T149-D152 PolarHBondContact N-OD2 3.03Å; T149-D152 PolarHBondContact O-N 2.87Å; T149-D152 PolarHBondContact OG1-N 2.64Å; T149-D152 PolarHBondContact OG1-OD2 3.48Å; W150-D152 VanDerWaalsContact C-N 3.3Å; W150-D152 PolarHBondContact O-N 3.21Å; D152-W155 PolarHBondContact O-N 3.36Å; D152-A156 WeakPolarHBondContact O-CB 3.44Å; D152-A156 PolarHBondContact O-N 2.68Å
153	L	97.2	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-47	176.2	-178.5	63.1	0	0	0	112.2	L140 P147 T149 W150 W155 A156 L157 W176 F187	L140-L153 HydrophobicContact CD2-CD1 3.79Å; P147-L153 HydrophobicContact CB-CB 3.91Å; P147-L153 HydrophobicContact CG-CB 4.21Å; P147-L153 HydrophobicContact CG-CD1 4.33Å; T149-L153 PolarHBondContact O-N 3.03Å; W150-L153 HydrophobicContact CE3-CB 4.31Å; W150-L153 HydrophobicContact CE3-CD2 4.12Å; W150-L153 HydrophobicContact CE3-CG 4.49Å; W150-L153 HydrophobicContact CZ3-CD2 4.05Å; W150-L153 HydrophobicContact CZ3-CG 4.4Å; W150-L153 PolarHBondContact O-N 3.38Å; L153-W155 VanDerWaalsContact C-N 3.32Å; L153-W155 PolarHBondContact O-N 2.86Å; L153-A156 PolarHBondContact O-N 3.18Å; L153-L157 HydrophobicContact CD1-CD1 3.67Å; L153-L157 HydrophobicContact CD1-CG 3.9Å; L153-L157 HydrophobicContact CD2-CD1 4.48Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 2.67Å; L153-W176 HydrophobicContact CD1-CD2 4.05Å; L153-W176 HydrophobicContact CD1-CG 4.41Å; L153-W176 HydrophobicContact CD1-CZ2 3.83Å; L153-W176 HydrophobicContact CD2-CD2 4.08Å; L153-W176 HydrophobicContact CD2-CE3 3.92Å; L153-W176 HydrophobicContact CD2-CH2 3.39Å; L153-W176 HydrophobicContact CD2-CZ2 3.56Å; L153-W176 HydrophobicContact CD2-CZ3 3.58Å; L153-W176 HydrophobicContact CG-CZ2 4.36Å; L153-F187 HydrophobicContact CB-CE1 4.01Å; L153-F187 HydrophobicContact CB-CZ 4.26Å; L153-F187 HydrophobicContact CD2-CE1 4.09Å; L153-F187 HydrophobicContact CD2-CE2 4.4Å; L153-F187 HydrophobicContact CD2-CZ 3.54Å
154	H	97.7	Very high	95.2	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-36.3	179.7	-168.7	-88.9	0	0	0	111.4	Y86 L88 P89 W150 I158 G159 S245	Y86-H154 AromaticContact CE1-ND1 3.78Å; Y86-H154 AromaticContact CZ-ND1 3.65Å; Y86-H154 PolarHBondContact OH-CE1 3.34Å; Y86-H154 VanDerWaalsContact OH-CE1 3.31Å; Y86-H154 PolarHBondContact OH-ND1 3.16Å; Y86-H154 PolarHBondContact OH-O 2.77Å; L88-H154 HydrophobicContact CD2-CB 3.67Å; P89-H154 VanDerWaalsContact CD-CE1 3.44Å; P89-H154 WeakPolarHBondContact CD-CE1 3.4Å; W150-H154 HydrophobicContact CD2-CB 4.25Å; W150-H154 HydrophobicContact CE3-CB 4.34Å; W150-H154 HydrophobicContact CH2-CB 4.21Å; W150-H154 AromaticContact CH2-CD2 3.59Å; W150-H154 HydrophobicContact CZ2-CB 4.09Å; W150-H154 AromaticContact CZ2-CD2 3.33Å; W150-H154 WeakPolarHBondContact CZ2-CD2 3.29Å; W150-H154 AromaticContact CZ2-CG 4Å; W150-H154 HydrophobicContact CZ3-CB 4.29Å; W150-H154 WeakPolarHBondContact O-CB 3.35Å; W150-H154 PolarHBondContact O-N 3.38Å; H154-I158 WeakPolarHBondContact O-CB 3.09Å; H154-I158 PolarHBondContact O-N 3.13Å; H154-G159 PolarHBondContact O-N 2.69Å; H154-G159 VanDerWaalsContact O-N 3.13Å; H154-S245 PolarHBondContact CD2-OG 3.08Å; H154-S245 PolarHBondContact NE2-OG 2.92Å
155	W	97.4	Very high	95.4	Very high	48 Å²	48	38.5 Å²	38.5	18%	0.182	19%	0.192	C	C	.	.	I	π-helix	trans	-59.9	-53.2	169.3	171.3	-115.4	0	0	0	111.4	A82 P83 Y86 K151 D152 L153 L157 G159 K160	A82-W155 HydrophobicContact CB-CB 3.52Å; A82-W155 HydrophobicContact CB-CG 3.88Å; P83-W155 HydrophobicContact CG-CD2 4.21Å; P83-W155 HydrophobicContact CG-CE3 4.35Å; P83-W155 HydrophobicContact CG-CH2 4.05Å; P83-W155 HydrophobicContact CG-CZ2 3.85Å; P83-W155 HydrophobicContact CG-CZ3 4.28Å; Y86-W155 HydrophobicContact CD1-CB 3.85Å; Y86-W155 HydrophobicContact CD1-CE3 4.02Å; Y86-W155 AromaticContact CD2-CE3 3.47Å; Y86-W155 HydrophobicContact CD2-CE3 3.47Å; Y86-W155 VanDerWaalsContact CD2-CE3 3.47Å; Y86-W155 AromaticContact CD2-CZ3 3.79Å; Y86-W155 HydrophobicContact CD2-CZ3 3.79Å; Y86-W155 HydrophobicContact CE1-CB 3.8Å; Y86-W155 HydrophobicContact CE1-CE3 4.22Å; Y86-W155 AromaticContact CE2-CE3 3.7Å; Y86-W155 HydrophobicContact CE2-CE3 3.7Å; Y86-W155 HydrophobicContact CE2-CZ3 4.12Å; Y86-W155 HydrophobicContact CG-CD2 4.43Å; Y86-W155 AromaticContact CG-CE3 3.64Å; Y86-W155 HydrophobicContact CG-CE3 3.64Å; Y86-W155 HydrophobicContact CG-CZ3 4.28Å; K151-W155 WeakPolarHBondContact O-CB 3.28Å; K151-W155 PolarHBondContact O-N 2.99Å; D152-W155 PolarHBondContact O-N 3.36Å; L153-W155 VanDerWaalsContact C-N 3.32Å; L153-W155 PolarHBondContact O-N 2.86Å; W155-L157 PolarHBondContact O-N 3.01Å; W155-G159 VanDerWaalsContact CZ3-C 3.42Å; W155-G159 CarbonylContact O-C 3.57Å; W155-G159 WeakPolarHBondContact O-CA 3.48Å; W155-G159 PolarHBondContact O-N 2.88Å; W155-K160 HydrophobicContact CD2-CB 4.11Å; W155-K160 HydrophobicContact CH2-CB 4.26Å; W155-K160 HydrophobicContact CZ2-CB 3.81Å; W155-K160 HydrophobicContact CZ2-CG 4.05Å; W155-K160 WeakPolarHBondContact O-CB 3.17Å; W155-K160 PolarHBondContact O-N 2.96Å
156	A	97.1	Very high	95.6	Very high	20 Å²	20	38 Å²	38	17%	0.165	19%	0.187	C	C	.	.	I	π-helix	trans	-63.1	-42.3	-176.5	0	0	0	0	0	113.3	L79 L140 D152 L153 R161	L79-A156 HydrophobicContact CD1-CB 4.46Å; L79-A156 HydrophobicContact CD2-CB 3.81Å; L79-A156 HydrophobicContact CG-CB 4.45Å; L140-A156 HydrophobicContact CD2-CB 3.87Å; D152-A156 WeakPolarHBondContact O-CB 3.44Å; D152-A156 PolarHBondContact O-N 2.68Å; L153-A156 PolarHBondContact O-N 3.18Å; A156-R161 WeakPolarHBondContact O-CD 3.36Å
157	L	97.3	Very high	95.6	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.187	C	C	.	.	I	π-helix	trans	-79.3	-34.3	-177.5	-69.9	-179.5	0	0	0	114.3	A137 L140 L153 W155 R161 L163 A172 L173 W176	A137-L157 HydrophobicContact CB-CD2 3.76Å; L140-L157 HydrophobicContact CD2-CD2 3.86Å; L140-L157 HydrophobicContact CD2-CG 4.13Å; L153-L157 HydrophobicContact CD1-CD1 3.67Å; L153-L157 HydrophobicContact CD1-CG 3.9Å; L153-L157 HydrophobicContact CD2-CD1 4.48Å; L153-L157 HydrophobicContact CG-CD1 3.9Å; L153-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 WeakPolarHBondContact O-CG 3.34Å; L153-L157 PolarHBondContact O-N 2.67Å; W155-L157 PolarHBondContact O-N 3.01Å; L157-R161 WeakPolarHBondContact O-CD 3.41Å; L157-R161 PolarHBondContact O-NH1 3.02Å; L157-L163 VanDerWaalsContact O-CD1 3.31Å; L157-L163 WeakPolarHBondContact O-CD1 3.42Å; L157-A172 HydrophobicContact CB-CB 4.37Å; L157-L173 HydrophobicContact CD1-CD2 4.01Å; L157-W176 HydrophobicContact CD1-CB 3.76Å; L157-W176 HydrophobicContact CD1-CD2 4.25Å; L157-W176 HydrophobicContact CD1-CG 3.8Å; L157-W176 HydrophobicContact CD2-CB 4.15Å; L157-W176 HydrophobicContact CD2-CG 4.32Å
158	I	97.4	Very high	95.6	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.046	20%	0.204	C	C	.	.	I	π-helix	trans	-123.5	-55	-169.2	-70	164.8	0	0	0	111.6	H154 R161 N162 L163 K169 L173	H154-I158 WeakPolarHBondContact O-CB 3.09Å; H154-I158 PolarHBondContact O-N 3.13Å; I158-R161 CarbonylContact O-C 3.56Å; I158-R161 PolarHBondContact O-N 3.26Å; I158-N162 PolarHBondContact O-N 2.86Å; I158-L163 HydrophobicContact CG1-CD1 4.27Å; I158-L163 HydrophobicContact CG2-CB 4.31Å; I158-L163 PolarHBondContact O-N 3.41Å; I158-L163 VanDerWaalsContact O-N 3.1Å; I158-K169 HydrophobicContact CD1-CB 3.83Å; I158-K169 HydrophobicContact CD1-CG 4.05Å; I158-K169 HydrophobicContact CG1-CB 4.18Å; I158-K169 HydrophobicContact CG1-CG 4.12Å; I158-K169 HydrophobicContact CG2-CG 3.99Å; I158-L173 HydrophobicContact CD1-CD1 4.08Å; I158-L173 HydrophobicContact CD1-CD2 4.06Å; I158-L173 HydrophobicContact CD1-CG 4Å
159	G	95.8	Very high	95.7	Very high	6 Å²	6	42.9 Å²	42.9	6%	0.062	21%	0.211	C	C	.	.	I	π-helix	trans	-63.9	-56.7	-171.8	0	0	0	0	0	113.9	Y86 H154 W155 R161 N162	Y86-G159 WeakPolarHBondContact OH-CA 3.44Å; Y86-G159 PolarHBondContact OH-N 2.79Å; H154-G159 PolarHBondContact O-N 2.69Å; H154-G159 VanDerWaalsContact O-N 3.13Å; W155-G159 VanDerWaalsContact CZ3-C 3.42Å; W155-G159 CarbonylContact O-C 3.57Å; W155-G159 WeakPolarHBondContact O-CA 3.48Å; W155-G159 PolarHBondContact O-N 2.88Å; G159-R161 PolarHBondContact O-N 3.31Å; G159-N162 PolarHBondContact O-N 3.1Å; G159-N162 PolarHBondContact O-OD1 3.35Å
160	K	95.6	Very high	95.8	Very high	110 Å²	110	42.4 Å²	42.4	48%	0.478	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.9	179.1	-169.7	172.4	-178.2	174.4	0	112.6	E80 W155	E80-K160 IonicContact OE2-NZ 2.81Å; E80-K160 PolarHBondContact OE2-NZ 2.84Å; W155-K160 HydrophobicContact CD2-CB 4.11Å; W155-K160 HydrophobicContact CH2-CB 4.26Å; W155-K160 HydrophobicContact CZ2-CB 3.81Å; W155-K160 HydrophobicContact CZ2-CG 4.05Å; W155-K160 WeakPolarHBondContact O-CB 3.17Å; W155-K160 PolarHBondContact O-N 2.96Å
161	R	96.1	Very high	95.8	Very high	70 Å²	70	43 Å²	43	26%	0.264	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-1.7	-180	-63.8	168.7	74.9	-140.6	11.7	113.1	D134 D136 A156 L157 I158 G159 L163	D134-R161 IonicContact OD1-CZ 3.71Å; D134-R161 IonicContact OD1-NH1 3.9Å; D134-R161 IonicContact OD1-NH2 3.59Å; D134-R161 PolarHBondContact OD1-NH2 2.7Å; D134-R161 IonicContact OD2-CZ 2.72Å; D134-R161 VanDerWaalsContact OD2-CZ 3.31Å; D134-R161 IonicContact OD2-NH1 2.63Å; D134-R161 PolarHBondContact OD2-NH1 3.3Å; D134-R161 IonicContact OD2-NH2 3.89Å; D134-R161 PolarHBondContact OD2-NH2 3.03Å; D136-R161 IonicContact OD2-CZ 3.52Å; D136-R161 IonicContact OD2-NE 3.89Å; D136-R161 PolarHBondContact OD2-NE 2.93Å; D136-R161 IonicContact OD2-NH2 2.62Å; D136-R161 PolarHBondContact OD2-NH2 2.89Å; A156-R161 WeakPolarHBondContact O-CD 3.36Å; L157-R161 WeakPolarHBondContact O-CD 3.41Å; L157-R161 PolarHBondContact O-NH1 3.02Å; I158-R161 CarbonylContact O-C 3.56Å; I158-R161 PolarHBondContact O-N 3.26Å; G159-R161 PolarHBondContact O-N 3.31Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 HydrophobicContact CB-CD2 4.09Å; R161-L163 HydrophobicContact CB-CG 4.05Å; R161-L163 PolarHBondContact O-N 3.24Å
162	N	94.7	Very high	95.9	Very high	132 Å²	132	40.5 Å²	40.5	71%	0.706	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	44.4	-178	-65.5	-58.6	0	0	0	114	I158 G159 I164	I158-N162 PolarHBondContact O-N 2.86Å; G159-N162 PolarHBondContact O-N 3.1Å; G159-N162 PolarHBondContact O-OD1 3.35Å; N162-I164 VanDerWaalsContact O-CG1 3.27Å; N162-I164 WeakPolarHBondContact O-CG1 3.47Å; N162-I164 PolarHBondContact O-N 2.88Å
163	L	95.1	Very high	95.9	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.147	20%	0.199	C	C	.	.			trans	-73.3	109.8	-179.4	-55.7	-173.9	0	0	0	111.3	L157 I158 R161 L168 K169 A172	L157-L163 VanDerWaalsContact O-CD1 3.31Å; L157-L163 WeakPolarHBondContact O-CD1 3.42Å; I158-L163 HydrophobicContact CG1-CD1 4.27Å; I158-L163 HydrophobicContact CG2-CB 4.31Å; I158-L163 PolarHBondContact O-N 3.41Å; I158-L163 VanDerWaalsContact O-N 3.1Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 HydrophobicContact CB-CD2 4.09Å; R161-L163 HydrophobicContact CB-CG 4.05Å; R161-L163 PolarHBondContact O-N 3.24Å; L163-L168 HydrophobicContact CB-CB 4.26Å; L163-L168 HydrophobicContact CD1-CB 4.24Å; L163-L168 HydrophobicContact CD2-CB 4.22Å; L163-L168 HydrophobicContact CD2-CD1 4.29Å; L163-L168 HydrophobicContact CG-CB 4.48Å; L163-K169 HydrophobicContact CB-CG 4.15Å; L163-K169 WeakPolarHBondContact O-CE 3.21Å; L163-A172 HydrophobicContact CD1-CB 3.9Å
164	I	90.4	Very high	95.9	Very high	149 Å²	149	40.4 Å²	40.4	76%	0.764	20%	0.199	S	C	*	.			trans	-88.3	-47.3	-168.7	-48.1	-177.1	0	0	0	113.1	N162 K169	N162-I164 VanDerWaalsContact O-CG1 3.27Å; N162-I164 WeakPolarHBondContact O-CG1 3.47Å; N162-I164 PolarHBondContact O-N 2.88Å; I164-K169 WeakPolarHBondContact O-CE 3.47Å; I164-K169 PolarHBondContact O-NZ 2.82Å
165	N	93	Very high	95.8	Very high	57 Å²	57	40.2 Å²	40.2	31%	0.305	20%	0.198	S	C	.	.	S	Bend	trans	-83.4	157.4	-178.1	69.5	-29	0	0	0	111.9	E167 L168 K169	N165-E167 VanDerWaalsContact C-N 3.33Å; N165-E167 PolarHBondContact O-N 2.86Å; N165-L168 WeakPolarHBondContact OD1-CB 3.43Å; N165-L168 WeakPolarHBondContact OD1-CD1 3.46Å; N165-L168 WeakPolarHBondContact OD1-CG 3.31Å; N165-L168 PolarHBondContact OD1-N 3.26Å; N165-K169 WeakPolarHBondContact O-CE 3.39Å; N165-K169 WeakPolarHBondContact O-CG 3.42Å; N165-K169 PolarHBondContact O-N 2.89Å
166	D	95.2	Very high	95.8	Very high	43 Å²	43	38.1 Å²	38.1	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-73.6	-29.4	-175.2	-63.3	-28.2	0	0	0	111.6	L168 K169 V170 I247 L309 D310	D166-L168 PolarHBondContact O-N 2.86Å; D166-K169 PolarHBondContact O-N 2.83Å; D166-K169 IonicContact OD1-NZ 2.72Å; D166-K169 PolarHBondContact OD1-NZ 2.89Å; D166-V170 WeakPolarHBondContact O-CB 3.14Å; D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.83Å; D166-I247 HydrophobicContact CB-CD1 4.25Å; D166-L309 HydrophobicContact CB-CB 4.16Å; D166-L309 HydrophobicContact CB-CD2 4.06Å; D166-D310 PolarHBondContact N-OD1 2.84Å; D166-D310 PolarHBondContact N-OD2 2.86Å
167	E	94.6	Very high	95.7	Very high	39 Å²	39	37.2 Å²	37.2	18%	0.182	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-38.5	176.2	-153.4	-165.8	98.7	0	0	113.9	N165 R171 L309 D310 K312 F351 N352	N165-E167 VanDerWaalsContact C-N 3.33Å; N165-E167 PolarHBondContact O-N 2.86Å; E167-R171 WeakPolarHBondContact O-CB 3.44Å; E167-R171 PolarHBondContact O-N 3.25Å; E167-R171 PolarHBondContact O-NH1 3.42Å; E167-R171 IonicContact OE1-CZ 2.71Å; E167-R171 IonicContact OE1-NH1 3.62Å; E167-R171 PolarHBondContact OE1-NH1 2.84Å; E167-R171 VanDerWaalsContact OE1-NH1 3.17Å; E167-R171 IonicContact OE1-NH2 3.11Å; E167-R171 PolarHBondContact OE1-NH2 2.88Å; E167-L309 HydrophobicContact CG-CD1 4.3Å; E167-D310 WeakPolarHBondContact CB-OD2 3.4Å; E167-D310 PolarHBondContact N-OD2 2.87Å; E167-K312 IonicContact OE2-NZ 2.77Å; E167-F351 HydrophobicContact CG-CZ 4.4Å; E167-N352 PolarHBondContact OE2-ND2 3.38Å
168	L	94.9	Very high	95.5	Very high	71 Å²	71	37.2 Å²	37.2	37%	0.372	18%	0.183	S	C	.	.	H	α-helix	trans	-72.1	-41.2	174.7	-68.6	175.2	0	0	0	111.4	L163 N165 D166 V170 R171 A172	L163-L168 HydrophobicContact CB-CB 4.26Å; L163-L168 HydrophobicContact CD1-CB 4.24Å; L163-L168 HydrophobicContact CD2-CB 4.22Å; L163-L168 HydrophobicContact CD2-CD1 4.29Å; L163-L168 HydrophobicContact CG-CB 4.48Å; N165-L168 WeakPolarHBondContact OD1-CB 3.43Å; N165-L168 WeakPolarHBondContact OD1-CD1 3.46Å; N165-L168 WeakPolarHBondContact OD1-CG 3.31Å; N165-L168 PolarHBondContact OD1-N 3.26Å; D166-L168 PolarHBondContact O-N 2.86Å; L168-V170 PolarHBondContact O-N 2.88Å; L168-R171 PolarHBondContact O-N 3.17Å; L168-A172 PolarHBondContact O-N 2.91Å
169	K	96.9	Very high	95.3	Very high	39 Å²	39	37 Å²	37	17%	0.17	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-52.5	176	-65.9	168.8	-151.4	155.5	0	110.9	I158 L163 I164 N165 D166 R171 A172 L173 I247	I158-K169 HydrophobicContact CD1-CB 3.83Å; I158-K169 HydrophobicContact CD1-CG 4.05Å; I158-K169 HydrophobicContact CG1-CB 4.18Å; I158-K169 HydrophobicContact CG1-CG 4.12Å; I158-K169 HydrophobicContact CG2-CG 3.99Å; L163-K169 HydrophobicContact CB-CG 4.15Å; L163-K169 WeakPolarHBondContact O-CE 3.21Å; I164-K169 WeakPolarHBondContact O-CE 3.47Å; I164-K169 PolarHBondContact O-NZ 2.82Å; N165-K169 WeakPolarHBondContact O-CE 3.39Å; N165-K169 WeakPolarHBondContact O-CG 3.42Å; N165-K169 PolarHBondContact O-N 2.89Å; D166-K169 PolarHBondContact O-N 2.83Å; D166-K169 IonicContact OD1-NZ 2.72Å; D166-K169 PolarHBondContact OD1-NZ 2.89Å; K169-R171 VanDerWaalsContact C-N 3.34Å; K169-R171 PolarHBondContact O-N 2.8Å; K169-A172 PolarHBondContact O-N 3.45Å; K169-L173 WeakPolarHBondContact O-CG 3.38Å; K169-L173 PolarHBondContact O-N 3.17Å; K169-I247 HydrophobicContact CB-CD1 4.26Å; K169-I247 HydrophobicContact CD-CD1 4.42Å
170	V	97.3	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.1	-32.2	-178.8	176.4	0	0	0	0	111.8	D166 L168 L173 F174 F238 I247 L309 F316 F351	D166-V170 WeakPolarHBondContact O-CB 3.14Å; D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.83Å; L168-V170 PolarHBondContact O-N 2.88Å; V170-L173 PolarHBondContact O-N 3.45Å; V170-F174 WeakPolarHBondContact O-CB 3.37Å; V170-F174 PolarHBondContact O-N 3.02Å; V170-F238 HydrophobicContact CG1-CE2 3.84Å; V170-F238 HydrophobicContact CG1-CZ 3.54Å; V170-I247 HydrophobicContact CG2-CD1 3.44Å; V170-I247 VanDerWaalsContact CG2-CD1 3.44Å; V170-I247 HydrophobicContact CG2-CG2 4.22Å; V170-L309 HydrophobicContact CB-CD1 4.33Å; V170-L309 HydrophobicContact CB-CD2 4.06Å; V170-L309 HydrophobicContact CG1-CD1 4.48Å; V170-L309 HydrophobicContact CG1-CD2 4.47Å; V170-L309 HydrophobicContact CG2-CD2 3.51Å; V170-F316 HydrophobicContact CG1-CE1 4.01Å; V170-F316 HydrophobicContact CG1-CZ 4.15Å; V170-F351 HydrophobicContact CG1-CE2 4.24Å
171	R	95.9	Very high	94.6	Very high	21 Å²	21	34.9 Å²	34.9	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-43.9	170.8	-172.9	-171.6	-82.3	87.4	-12.2	112	Q131 E167 L168 K169 S175 M348 F351	Q131-R171 VanDerWaalsContact CD-NH2 3.34Å; E167-R171 WeakPolarHBondContact O-CB 3.44Å; E167-R171 PolarHBondContact O-N 3.25Å; E167-R171 PolarHBondContact O-NH1 3.42Å; E167-R171 IonicContact OE1-CZ 2.71Å; E167-R171 IonicContact OE1-NH1 3.62Å; E167-R171 PolarHBondContact OE1-NH1 2.84Å; E167-R171 VanDerWaalsContact OE1-NH1 3.17Å; E167-R171 IonicContact OE1-NH2 3.11Å; E167-R171 PolarHBondContact OE1-NH2 2.88Å; L168-R171 PolarHBondContact O-N 3.17Å; K169-R171 VanDerWaalsContact C-N 3.34Å; K169-R171 PolarHBondContact O-N 2.8Å; R171-S175 WeakPolarHBondContact O-CB 3.46Å; R171-S175 PolarHBondContact O-N 2.96Å; R171-S175 PolarHBondContact O-OG 2.74Å; R171-M348 HydrophobicContact CG-CE 4.21Å; R171-F351 VanDerWaalsContact CA-CE2 3.41Å; R171-F351 HydrophobicContact CB-CE1 4.3Å; R171-F351 HydrophobicContact CB-CE2 3.84Å; R171-F351 HydrophobicContact CB-CZ 3.56Å; R171-F351 HydrophobicContact CG-CE1 4.34Å; R171-F351 HydrophobicContact CG-CE2 4.37Å; R171-F351 HydrophobicContact CG-CZ 4.04Å
172	A	97.3	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.3	-48.7	176.5	0	0	0	0	0	111.6	D134 A137 L157 L163 L168 K169 S175 W176	D134-A172 WeakPolarHBondContact OD2-CA 3.16Å; D134-A172 WeakPolarHBondContact OD2-CB 3.28Å; A137-A172 WeakPolarHBondContact CB-O 3.4Å; L157-A172 HydrophobicContact CB-CB 4.37Å; L163-A172 HydrophobicContact CD1-CB 3.9Å; L168-A172 PolarHBondContact O-N 2.91Å; K169-A172 PolarHBondContact O-N 3.45Å; A172-S175 PolarHBondContact O-N 3.37Å; A172-W176 WeakPolarHBondContact O-CB 3.42Å; A172-W176 PolarHBondContact O-N 2.92Å
173	L	97.7	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-45.5	178.8	-63.8	172.6	0	0	0	112.6	W150 L157 I158 K169 V170 L177 L241	W150-L173 HydrophobicContact CH2-CD2 3.79Å; W150-L173 HydrophobicContact CZ3-CD2 4.13Å; L157-L173 HydrophobicContact CD1-CD2 4.01Å; I158-L173 HydrophobicContact CD1-CD1 4.08Å; I158-L173 HydrophobicContact CD1-CD2 4.06Å; I158-L173 HydrophobicContact CD1-CG 4Å; K169-L173 WeakPolarHBondContact O-CG 3.38Å; K169-L173 PolarHBondContact O-N 3.17Å; V170-L173 PolarHBondContact O-N 3.45Å; L173-L177 VanDerWaalsContact O-CB 3.3Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 PolarHBondContact O-N 2.85Å; L173-L241 HydrophobicContact CD2-CD2 4.31Å
174	F	97	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-45	178.9	-171.9	-88.2	0	0	0	111.7	V170 W176 L177 C178 F238 F316 P318 A321 M348 Y350 F351	V170-F174 WeakPolarHBondContact O-CB 3.37Å; V170-F174 PolarHBondContact O-N 3.02Å; F174-W176 VanDerWaalsContact C-N 3.35Å; F174-W176 PolarHBondContact O-N 3.15Å; F174-L177 PolarHBondContact O-N 2.74Å; F174-C178 VanDerWaalsContact O-CB 3.31Å; F174-C178 WeakPolarHBondContact O-CB 3.26Å; F174-C178 PolarHBondContact O-N 3.04Å; F174-C178 PolarHBondContact O-SG 2.87Å; F174-F238 HydrophobicContact CB-CE2 3.94Å; F174-F238 AromaticContact CD2-CD2 3.98Å; F174-F238 HydrophobicContact CD2-CD2 3.98Å; F174-F238 AromaticContact CD2-CE2 3.63Å; F174-F238 HydrophobicContact CD2-CE2 3.63Å; F174-F238 HydrophobicContact CD2-CZ 4.01Å; F174-F238 HydrophobicContact CG-CE2 4.29Å; F174-F316 HydrophobicContact CD2-CB 4.49Å; F174-F316 HydrophobicContact CD2-CD1 4.08Å; F174-F316 HydrophobicContact CE2-CB 4.03Å; F174-F316 HydrophobicContact CE2-CD1 4.13Å; F174-P318 HydrophobicContact CD2-CB 4.3Å; F174-P318 HydrophobicContact CE2-CB 3.8Å; F174-P318 HydrophobicContact CZ-CB 4.48Å; F174-A321 HydrophobicContact CE1-CB 3.49Å; F174-A321 VanDerWaalsContact CE1-CB 3.49Å; F174-A321 HydrophobicContact CZ-CB 3.38Å; F174-M348 HydrophobicContact CD1-SD 4.14Å; F174-M348 HydrophobicContact CE1-SD 4.26Å; F174-Y350 WeakPolarHBondContact CZ-O 3.21Å; F174-F351 HydrophobicContact CB-CD2 3.97Å; F174-F351 HydrophobicContact CB-CE2 4.34Å; F174-F351 HydrophobicContact CD1-CB 3.98Å; F174-F351 AromaticContact CD1-CD2 3.81Å; F174-F351 HydrophobicContact CD1-CD2 3.81Å; F174-F351 HydrophobicContact CD1-CG 4.32Å; F174-F351 HydrophobicContact CD2-CD2 4.43Å; F174-F351 HydrophobicContact CE1-CB 3.73Å; F174-F351 HydrophobicContact CE1-CD2 4.37Å; F174-F351 AromaticContact CG-CD2 3.83Å; F174-F351 HydrophobicContact CG-CD2 3.83Å; F174-F351 HydrophobicContact CZ-CB 4.24Å
175	S	95.6	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-41	178.1	-61.5	0	0	0	0	111.7	D134 R171 A172 S179	D134-S175 WeakPolarHBondContact CB-OG 3.5Å; D134-S175 PolarHBondContact N-OG 3.37Å; D134-S175 VanDerWaalsContact N-OG 3.09Å; R171-S175 WeakPolarHBondContact O-CB 3.46Å; R171-S175 PolarHBondContact O-N 2.96Å; R171-S175 PolarHBondContact O-OG 2.74Å; A172-S175 PolarHBondContact O-N 3.37Å; S175-S179 WeakPolarHBondContact O-CB 3.47Å; S175-S179 PolarHBondContact O-N 2.79Å; S175-S179 PolarHBondContact O-OG 2.87Å
176	W	96.2	Very high	93	Very high	4 Å²	4	29 Å²	29	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-56.1	174.6	179.8	85.6	0	0	0	110.5	A137 A141 L153 L157 A172 F174 C178 S179 I180 P186 F187 L224	A137-W176 HydrophobicContact CB-CB 4.06Å; A141-W176 HydrophobicContact CB-CG 4.1Å; A141-W176 VanDerWaalsContact CB-O 3.3Å; A141-W176 WeakPolarHBondContact CB-O 3.41Å; L153-W176 HydrophobicContact CD1-CD2 4.05Å; L153-W176 HydrophobicContact CD1-CG 4.41Å; L153-W176 HydrophobicContact CD1-CZ2 3.83Å; L153-W176 HydrophobicContact CD2-CD2 4.08Å; L153-W176 HydrophobicContact CD2-CE3 3.92Å; L153-W176 HydrophobicContact CD2-CH2 3.39Å; L153-W176 HydrophobicContact CD2-CZ2 3.56Å; L153-W176 HydrophobicContact CD2-CZ3 3.58Å; L153-W176 HydrophobicContact CG-CZ2 4.36Å; L157-W176 HydrophobicContact CD1-CB 3.76Å; L157-W176 HydrophobicContact CD1-CD2 4.25Å; L157-W176 HydrophobicContact CD1-CG 3.8Å; L157-W176 HydrophobicContact CD2-CB 4.15Å; L157-W176 HydrophobicContact CD2-CG 4.32Å; A172-W176 WeakPolarHBondContact O-CB 3.42Å; A172-W176 PolarHBondContact O-N 2.92Å; F174-W176 VanDerWaalsContact C-N 3.35Å; F174-W176 PolarHBondContact O-N 3.15Å; W176-C178 VanDerWaalsContact C-N 3.31Å; W176-C178 PolarHBondContact O-N 2.92Å; W176-S179 PolarHBondContact O-N 3.44Å; W176-I180 HydrophobicContact CD2-CD1 4.48Å; W176-I180 HydrophobicContact CE3-CD1 4.11Å; W176-I180 HydrophobicContact CH2-CD1 3.78Å; W176-I180 HydrophobicContact CZ2-CD1 4.17Å; W176-I180 HydrophobicContact CZ3-CD1 3.74Å; W176-I180 WeakPolarHBondContact O-CG1 3.31Å; W176-I180 PolarHBondContact O-N 2.83Å; W176-P186 HydrophobicContact CH2-CB 3.8Å; W176-P186 HydrophobicContact CH2-CG 4.43Å; W176-P186 HydrophobicContact CZ2-CB 3.96Å; W176-F187 HydrophobicContact CH2-CE2 4.25Å; W176-F187 HydrophobicContact CH2-CZ 4.46Å; W176-L224 HydrophobicContact CH2-CD1 4.09Å; W176-L224 HydrophobicContact CZ3-CD1 3.75Å; W176-L224 HydrophobicContact CZ3-CD2 4.03Å
177	L	95.7	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-51.3	-48.5	179.1	170.1	64.2	0	0	0	112.4	L173 F174 S179 I180 L224 M227 Y234 A237 F238 L241 P318	L173-L177 VanDerWaalsContact O-CB 3.3Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 PolarHBondContact O-N 2.85Å; F174-L177 PolarHBondContact O-N 2.74Å; L177-S179 PolarHBondContact O-N 3Å; L177-I180 HydrophobicContact CD1-CD1 4.5Å; L177-L224 HydrophobicContact CD1-CD2 3.63Å; L177-M227 HydrophobicContact CD1-CE 3.86Å; L177-M227 HydrophobicContact CD1-SD 4.21Å; L177-Y234 HydrophobicContact CD1-CD1 3.89Å; L177-Y234 HydrophobicContact CD1-CE1 4.2Å; L177-Y234 HydrophobicContact CD2-CD1 4.43Å; L177-Y234 HydrophobicContact CG-CD1 4.03Å; L177-Y234 HydrophobicContact CG-CE1 4.46Å; L177-A237 HydrophobicContact CD1-CB 3.92Å; L177-F238 HydrophobicContact CD2-CB 3.67Å; L177-F238 HydrophobicContact CD2-CD2 4.09Å; L177-F238 HydrophobicContact CD2-CG 4.33Å; L177-L241 HydrophobicContact CB-CD1 4.16Å; L177-L241 HydrophobicContact CD2-CD1 4.29Å; L177-P318 HydrophobicContact CD2-CB 3.88Å
178	C	93.5	Very high	92.9	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.027	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.9	-176.2	-55	0	0	0	0	113.5	F174 W176 A321 A322 T346	F174-C178 VanDerWaalsContact O-CB 3.31Å; F174-C178 WeakPolarHBondContact O-CB 3.26Å; F174-C178 PolarHBondContact O-N 3.04Å; F174-C178 PolarHBondContact O-SG 2.87Å; W176-C178 VanDerWaalsContact C-N 3.31Å; W176-C178 PolarHBondContact O-N 2.92Å; C178-A321 HydrophobicContact CB-CB 4.27Å; C178-A322 HydrophobicContact CB-CB 3.93Å; C178-T346 HydrophobicContact CB-CG2 3.5Å; C178-T346 PolarHBondContact O-OG1 2.94Å
179	S	92.1	Very high	92.8	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-9.9	174.8	-68.3	0	0	0	0	113.9	R138 R142 S175 W176 L177 T346	R138-S179 WeakPolarHBondContact CG-OG 3.2Å; R142-S179 WeakPolarHBondContact CG-O 3.47Å; R142-S179 PolarHBondContact NE-O 3.3Å; S175-S179 WeakPolarHBondContact O-CB 3.47Å; S175-S179 PolarHBondContact O-N 2.79Å; S175-S179 PolarHBondContact O-OG 2.87Å; W176-S179 PolarHBondContact O-N 3.44Å; L177-S179 PolarHBondContact O-N 3Å; S179-T346 PolarHBondContact OG-OG1 3.5Å
180	I	91.1	Very high	92.5	Very high	16 Å²	16	25 Å²	25	8%	0.082	15%	0.146	C	C	.	.	S	Bend	trans	-62.7	127.5	177.6	-58	167.2	0	0	0	109.4	A141 W176 L177 H184 P186 L224	A141-I180 HydrophobicContact CB-CG1 4.29Å; W176-I180 HydrophobicContact CD2-CD1 4.48Å; W176-I180 HydrophobicContact CE3-CD1 4.11Å; W176-I180 HydrophobicContact CH2-CD1 3.78Å; W176-I180 HydrophobicContact CZ2-CD1 4.17Å; W176-I180 HydrophobicContact CZ3-CD1 3.74Å; W176-I180 WeakPolarHBondContact O-CG1 3.31Å; W176-I180 PolarHBondContact O-N 2.83Å; L177-I180 HydrophobicContact CD1-CD1 4.5Å; I180-H184 HydrophobicContact CG2-CB 4.32Å; I180-P186 HydrophobicContact CD1-CB 4.1Å; I180-P186 HydrophobicContact CD1-CG 4.4Å; I180-L224 HydrophobicContact CD1-CD2 4.3Å
181	P	86.3	Confident	92.3	Very high	56 Å²	56	30.5 Å²	30.5	36%	0.364	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-59.9	144.5	175.3	-23.5	33.7	0	0	0	113	A141 G183 H184	A141-P181 WeakPolarHBondContact O-CD 3.46Å; P181-G183 PolarHBondContact O-N 2.69Å; P181-H184 HydrophobicContact CB-CB 4.19Å; P181-H184 VanDerWaalsContact O-CB 3.31Å; P181-H184 WeakPolarHBondContact O-CB 3.35Å; P181-H184 PolarHBondContact O-N 3.07Å; P181-H184 VanDerWaalsContact O-N 3.07Å
182	V	80.9	Confident	92.1	Very high	98 Å²	98	32 Å²	32	59%	0.594	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	126.2	-176.2	-179.3	0	0	0	0	111.3	H184 Y344	V182-H184 VanDerWaalsContact C-N 3.28Å; V182-H184 PolarHBondContact O-N 3.14Å; V182-Y344 HydrophobicContact CG2-CD2 4.11Å; V182-Y344 HydrophobicContact CG2-CE2 3.78Å
183	G	82.6	Confident	91.9	Very high	55 Å²	55	32 Å²	32	57%	0.567	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	4.3	-179.6	0	0	0	0	0	115	P181	P181-G183 PolarHBondContact O-N 2.69Å
184	H	88	Confident	91.7	Very high	101 Å²	101	35.1 Å²	35.1	47%	0.468	20%	0.199	S	C	.	.			trans	-81.8	127.8	174.9	-129.9	-125.3	0	0	0	110.7	I180 P181 V182 P186 A228	I180-H184 HydrophobicContact CG2-CB 4.32Å; P181-H184 HydrophobicContact CB-CB 4.19Å; P181-H184 VanDerWaalsContact O-CB 3.31Å; P181-H184 WeakPolarHBondContact O-CB 3.35Å; P181-H184 PolarHBondContact O-N 3.07Å; P181-H184 VanDerWaalsContact O-N 3.07Å; V182-H184 VanDerWaalsContact C-N 3.28Å; V182-H184 PolarHBondContact O-N 3.14Å; H184-P186 WeakPolarHBondContact O-CD 3.38Å; H184-A228 WeakPolarHBondContact O-CB 3.23Å
185	I	91.6	Very high	91.4	Very high	49 Å²	49	38.3 Å²	38.3	25%	0.251	21%	0.213	S	C	.	.			trans	-76	117.9	175.1	-56	177.2	0	0	0	108.6	K146 F187 N225 A228	K146-I185 WeakPolarHBondContact CE-O 3.47Å; K146-I185 PolarHBondContact NZ-O 2.88Å; I185-F187 WeakPolarHBondContact CG2-O 3.35Å; I185-N225 HydrophobicContact CG2-CB 4.11Å; I185-N225 VanDerWaalsContact CG2-CG 3.42Å; I185-N225 WeakPolarHBondContact CG2-ND2 3.35Å; I185-N225 WeakPolarHBondContact CG2-OD1 3.33Å; I185-A228 HydrophobicContact CG1-CB 4.03Å
186	P	92.7	Very high	91.3	Very high	11 Å²	11	38.3 Å²	38.3	7%	0.071	21%	0.213	C	C	.	.			trans	-81.1	-36.3	-171.3	27.9	-32.1	0	0	0	114.7	P147 W176 I180 H184 L224 N225	P147-P186 WeakPolarHBondContact CD-O 3.18Å; W176-P186 HydrophobicContact CH2-CB 3.8Å; W176-P186 HydrophobicContact CH2-CG 4.43Å; W176-P186 HydrophobicContact CZ2-CB 3.96Å; I180-P186 HydrophobicContact CD1-CB 4.1Å; I180-P186 HydrophobicContact CD1-CG 4.4Å; H184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-L224 HydrophobicContact CG-CB 3.73Å; P186-N225 VanDerWaalsContact CD-OD1 3.31Å; P186-N225 WeakPolarHBondContact CD-OD1 3.48Å
187	F	95.1	Very high	91.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-101.4	140.4	174.1	-63.9	-89.7	0	0	0	111	P147 T149 L153 W176 I185 E221 L224 N225	P147-F187 HydrophobicContact CB-CD1 3.77Å; P147-F187 HydrophobicContact CB-CE1 3.77Å; P147-F187 HydrophobicContact CG-CD1 3.56Å; P147-F187 HydrophobicContact CG-CE1 3.63Å; P147-F187 HydrophobicContact CG-CG 4.27Å; P147-F187 HydrophobicContact CG-CZ 4.41Å; P147-F187 WeakPolarHBondContact O-CA 3.32Å; T149-F187 WeakPolarHBondContact O-CE1 3.3Å; L153-F187 HydrophobicContact CB-CE1 4.01Å; L153-F187 HydrophobicContact CB-CZ 4.26Å; L153-F187 HydrophobicContact CD2-CE1 4.09Å; L153-F187 HydrophobicContact CD2-CE2 4.4Å; L153-F187 HydrophobicContact CD2-CZ 3.54Å; W176-F187 HydrophobicContact CH2-CE2 4.25Å; W176-F187 HydrophobicContact CH2-CZ 4.46Å; I185-F187 WeakPolarHBondContact CG2-O 3.35Å; F187-E221 HydrophobicContact CD1-CG 3.93Å; F187-E221 HydrophobicContact CD2-CB 4.33Å; F187-E221 HydrophobicContact CD2-CG 4.32Å; F187-E221 HydrophobicContact CE1-CG 3.99Å; F187-E221 HydrophobicContact CE2-CG 4.34Å; F187-E221 HydrophobicContact CG-CB 4.37Å; F187-E221 HydrophobicContact CG-CG 4.1Å; F187-E221 HydrophobicContact CZ-CG 4.18Å; F187-L224 HydrophobicContact CD2-CB 4.27Å; F187-L224 HydrophobicContact CE2-CB 4.04Å; F187-L224 HydrophobicContact CE2-CD1 3.67Å; F187-L224 HydrophobicContact CE2-CG 4.47Å; F187-L224 HydrophobicContact CZ-CD1 4.37Å; F187-N225 PolarHBondContact N-OD1 2.87Å; F187-N225 PolarHBondContact O-ND2 2.96Å; F187-N225 PolarHBondContact O-OD1 2.87Å
188	L	92.9	Very high	91	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.9	139.6	172.2	-67.2	164.2	0	0	0	110.8	I76 L78 K146 P147 E192 I193 K211	I76-L188 HydrophobicContact CG2-CD1 4.23Å; I76-L188 HydrophobicContact CG2-CD2 4.16Å; L78-L188 HydrophobicContact CD1-CD1 3.94Å; L78-L188 HydrophobicContact CD2-CD1 4.41Å; L78-L188 HydrophobicContact CG-CD1 3.67Å; K146-L188 HydrophobicContact CB-CD1 4.21Å; K146-L188 HydrophobicContact CB-CD2 4.36Å; K146-L188 HydrophobicContact CB-CG 3.87Å; K146-L188 HydrophobicContact CD-CD2 3.95Å; K146-L188 HydrophobicContact CD-CG 4.23Å; P147-L188 PolarHBondContact O-N 2.85Å; L188-E192 HydrophobicContact CB-CB 4.48Å; L188-E192 HydrophobicContact CD2-CB 4.08Å; L188-I193 HydrophobicContact CB-CD1 3.99Å; L188-I193 HydrophobicContact CB-CG1 3.71Å; L188-I193 HydrophobicContact CD1-CG1 4.33Å; L188-K211 VanDerWaalsContact O-CE 3.25Å; L188-K211 WeakPolarHBondContact O-CE 3.31Å; L188-K211 PolarHBondContact O-NZ 3.19Å
189	T	91.7	Very high	91	Very high	51 Å²	51	52.5 Å²	52.5	31%	0.313	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-72.2	162.8	170.8	61.4	0	0	0	0	110.7	D191 E192 I193	T189-D191 VanDerWaalsContact C-N 3.29Å; T189-D191 PolarHBondContact O-N 3.03Å; T189-E192 WeakPolarHBondContact CB-OE2 3.47Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.44Å; T189-E192 PolarHBondContact N-OE2 2.93Å; T189-E192 PolarHBondContact O-N 3.46Å; T189-E192 WeakPolarHBondContact OG1-CB 3.41Å; T189-E192 VanDerWaalsContact OG1-CD 3.31Å; T189-E192 VanDerWaalsContact OG1-CG 3.24Å; T189-E192 WeakPolarHBondContact OG1-CG 3.32Å; T189-E192 PolarHBondContact OG1-N 2.92Å; T189-E192 PolarHBondContact OG1-OE2 2.8Å; T189-I193 WeakPolarHBondContact O-CG1 3.49Å; T189-I193 PolarHBondContact O-N 2.89Å
190	Y	91.7	Very high	91	Very high	51 Å²	51	55.6 Å²	55.6	20%	0.2	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-42.8	178.1	-170.8	-80.8	0	0	0	111.2	I193 E194 L208 K211 K213	Y190-I193 PolarHBondContact O-N 2.65Å; Y190-E194 HydrophobicContact CE1-CB 4.5Å; Y190-E194 WeakPolarHBondContact CE1-OE2 3.38Å; Y190-E194 PolarHBondContact O-N 3.5Å; Y190-L208 HydrophobicContact CD2-CD1 4.45Å; Y190-L208 HydrophobicContact CE1-CD1 3.9Å; Y190-L208 HydrophobicContact CE2-CD1 3.82Å; Y190-L208 VanDerWaalsContact CZ-CD1 3.48Å; Y190-K211 HydrophobicContact CD2-CB 4.31Å; Y190-K211 HydrophobicContact CD2-CG 3.95Å; Y190-K213 HydrophobicContact CD2-CG 3.67Å; Y190-K213 HydrophobicContact CE1-CG 4.35Å; Y190-K213 HydrophobicContact CE2-CD 4.24Å; Y190-K213 HydrophobicContact CE2-CG 3.4Å; Y190-K213 HydrophobicContact CG-CG 4.25Å; Y190-K213 WeakPolarHBondContact OH-CE 3.02Å
191	D	91.9	Very high	91	Very high	117 Å²	117	57 Å²	57	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-68.5	-36	-177.7	-52.5	-19.6	0	0	0	112.4	T189 I193 E194 Q195	T189-D191 VanDerWaalsContact C-N 3.29Å; T189-D191 PolarHBondContact O-N 3.03Å; D191-I193 VanDerWaalsContact C-N 3.35Å; D191-E194 PolarHBondContact O-N 3.48Å; D191-Q195 WeakPolarHBondContact O-CB 3.31Å; D191-Q195 PolarHBondContact O-N 3.08Å
192	E	92.4	Very high	91.3	Very high	53 Å²	53	60.8 Å²	60.8	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-37.5	172	-75.5	167.1	123.6	0	0	111.9	I76 L188 T189 A196	I76-E192 HydrophobicContact CD1-CB 4.46Å; L188-E192 HydrophobicContact CB-CB 4.48Å; L188-E192 HydrophobicContact CD2-CB 4.08Å; T189-E192 WeakPolarHBondContact CB-OE2 3.47Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.44Å; T189-E192 PolarHBondContact N-OE2 2.93Å; T189-E192 PolarHBondContact O-N 3.46Å; T189-E192 WeakPolarHBondContact OG1-CB 3.41Å; T189-E192 VanDerWaalsContact OG1-CD 3.31Å; T189-E192 VanDerWaalsContact OG1-CG 3.24Å; T189-E192 WeakPolarHBondContact OG1-CG 3.32Å; T189-E192 PolarHBondContact OG1-N 2.92Å; T189-E192 PolarHBondContact OG1-OE2 2.8Å; E192-A196 WeakPolarHBondContact O-CB 3.15Å; E192-A196 PolarHBondContact O-N 2.87Å
193	I	93.1	Very high	92	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-72.4	-40.5	177.6	-62.5	163.4	0	0	0	110.6	A148 L188 T189 Y190 D191 Q195 A196 E197 A207 L208 K211	A148-I193 HydrophobicContact CB-CD1 4.04Å; L188-I193 HydrophobicContact CB-CD1 3.99Å; L188-I193 HydrophobicContact CB-CG1 3.71Å; L188-I193 HydrophobicContact CD1-CG1 4.33Å; T189-I193 WeakPolarHBondContact O-CG1 3.49Å; T189-I193 PolarHBondContact O-N 2.89Å; Y190-I193 PolarHBondContact O-N 2.65Å; D191-I193 VanDerWaalsContact C-N 3.35Å; I193-Q195 VanDerWaalsContact C-N 3.3Å; I193-Q195 PolarHBondContact O-N 2.82Å; I193-A196 WeakPolarHBondContact O-CB 3.4Å; I193-A196 PolarHBondContact O-N 3.38Å; I193-E197 PolarHBondContact O-N 3.39Å; I193-A207 HydrophobicContact CG2-CB 3.82Å; I193-L208 HydrophobicContact CB-CD1 4.48Å; I193-L208 HydrophobicContact CG2-CB 3.87Å; I193-L208 HydrophobicContact CG2-CD1 4.01Å; I193-K211 HydrophobicContact CD1-CB 4.1Å; I193-K211 HydrophobicContact CD1-CD 3.88Å; I193-K211 HydrophobicContact CD1-CG 3.83Å
194	E	93.2	Very high	92.4	Very high	65 Å²	65	57.2 Å²	57.2	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-37.5	175.1	-161.7	-170.8	112	0	0	111.5	Y190 D191 R198 L208	Y190-E194 HydrophobicContact CE1-CB 4.5Å; Y190-E194 WeakPolarHBondContact CE1-OE2 3.38Å; Y190-E194 PolarHBondContact O-N 3.5Å; D191-E194 PolarHBondContact O-N 3.48Å; E194-R198 PolarHBondContact O-N 2.81Å; E194-R198 IonicContact OE1-CZ 2.69Å; E194-R198 IonicContact OE1-NH1 2.68Å; E194-R198 PolarHBondContact OE1-NH1 2.8Å; E194-R198 IonicContact OE1-NH2 3.84Å; E194-L208 HydrophobicContact CB-CD1 4.31Å
195	Q	92.4	Very high	92.7	Very high	66 Å²	66	59.1 Å²	59.1	31%	0.308	30%	0.295	S	S	.	.	H	α-helix	trans	-67.5	-41	171.5	-174.7	54.6	39.3	0	0	112	D191 I193 E197 R198 D199	D191-Q195 WeakPolarHBondContact O-CB 3.31Å; D191-Q195 PolarHBondContact O-N 3.08Å; I193-Q195 VanDerWaalsContact C-N 3.3Å; I193-Q195 PolarHBondContact O-N 2.82Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 2.94Å; Q195-R198 WeakPolarHBondContact O-CB 3.35Å; Q195-R198 PolarHBondContact O-N 2.88Å; Q195-D199 PolarHBondContact NE2-OD1 3.24Å; Q195-D199 PolarHBondContact NE2-OD2 3.23Å; Q195-D199 WeakPolarHBondContact O-CB 3.45Å; Q195-D199 PolarHBondContact O-N 2.94Å
196	A	92.6	Very high	92.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-33.9	176.4	0	0	0	0	0	112.9	I76 L78 E192 I193 D199 G200 I201 A204	I76-A196 HydrophobicContact CG2-CB 3.99Å; L78-A196 HydrophobicContact CD1-CB 4.09Å; E192-A196 WeakPolarHBondContact O-CB 3.15Å; E192-A196 PolarHBondContact O-N 2.87Å; I193-A196 WeakPolarHBondContact O-CB 3.4Å; I193-A196 PolarHBondContact O-N 3.38Å; A196-D199 PolarHBondContact O-N 3.1Å; A196-G200 PolarHBondContact O-N 2.96Å; A196-I201 HydrophobicContact CB-CB 4.13Å; A196-I201 HydrophobicContact CB-CD1 3.93Å; A196-I201 HydrophobicContact CB-CG1 4.38Å; A196-I201 WeakPolarHBondContact O-CB 3.46Å; A196-I201 PolarHBondContact O-N 3.2Å; A196-A204 VanDerWaalsContact C-CB 3.48Å; A196-A204 HydrophobicContact CB-CB 3.82Å
197	E	92.5	Very high	92.7	Very high	81 Å²	81	60.9 Å²	60.9	38%	0.379	30%	0.301	S	S	.	.	H	α-helix	trans	-67.1	-45.4	173	-169.4	-169.7	-147.4	0	0	110.9	I193 Q195 D199 G200 A204 L208	I193-E197 PolarHBondContact O-N 3.39Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 2.94Å; E197-D199 VanDerWaalsContact C-N 3.28Å; E197-D199 PolarHBondContact O-N 3.38Å; E197-G200 PolarHBondContact O-N 3.01Å; E197-A204 HydrophobicContact CB-CB 4.21Å; E197-L208 WeakPolarHBondContact OE2-CD2 3.43Å
198	R	93.1	Very high	92.5	Very high	145 Å²	145	62.2 Å²	62.2	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-38.7	174.5	-75.4	-170.2	-72.6	-93.8	0.1	113	E194 Q195 G200	E194-R198 PolarHBondContact O-N 2.81Å; E194-R198 IonicContact OE1-CZ 2.69Å; E194-R198 IonicContact OE1-NH1 2.68Å; E194-R198 PolarHBondContact OE1-NH1 2.8Å; E194-R198 IonicContact OE1-NH2 3.84Å; Q195-R198 WeakPolarHBondContact O-CB 3.35Å; Q195-R198 PolarHBondContact O-N 2.88Å; R198-G200 PolarHBondContact O-N 2.73Å
199	D	93	Very high	92.5	Very high	81 Å²	81	67 Å²	67	43%	0.433	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.9	178.4	-67.6	-29.9	0	0	0	113	Q195 A196 E197 I201	Q195-D199 PolarHBondContact NE2-OD1 3.24Å; Q195-D199 PolarHBondContact NE2-OD2 3.23Å; Q195-D199 WeakPolarHBondContact O-CB 3.45Å; Q195-D199 PolarHBondContact O-N 2.94Å; A196-D199 PolarHBondContact O-N 3.1Å; E197-D199 VanDerWaalsContact C-N 3.28Å; E197-D199 PolarHBondContact O-N 3.38Å; D199-I201 VanDerWaalsContact C-N 3.34Å; D199-I201 HydrophobicContact CB-CD1 4.24Å; D199-I201 HydrophobicContact CB-CG1 4.09Å; D199-I201 PolarHBondContact O-N 3.24Å
200	G	91.9	Very high	92.4	Very high	67 Å²	67	68.4 Å²	68.4	69%	0.691	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	23.7	175.9	0	0	0	0	0	114.8	A196 E197 R198	A196-G200 PolarHBondContact O-N 2.96Å; E197-G200 PolarHBondContact O-N 3.01Å; R198-G200 PolarHBondContact O-N 2.73Å
201	I	92.2	Very high	92.4	Very high	47 Å²	47	66.7 Å²	66.7	24%	0.241	34%	0.341	C	S	.	.			trans	-70.9	141	-175.8	-59.3	179.8	0	0	0	110.7	I76 L78 A196 D199 Y203 A204	I76-I201 HydrophobicContact CB-CD1 3.83Å; I76-I201 HydrophobicContact CG2-CD1 4.23Å; L78-I201 HydrophobicContact CD1-CG2 3.88Å; A196-I201 HydrophobicContact CB-CB 4.13Å; A196-I201 HydrophobicContact CB-CD1 3.93Å; A196-I201 HydrophobicContact CB-CG1 4.38Å; A196-I201 WeakPolarHBondContact O-CB 3.46Å; A196-I201 PolarHBondContact O-N 3.2Å; D199-I201 VanDerWaalsContact C-N 3.34Å; D199-I201 HydrophobicContact CB-CD1 4.24Å; D199-I201 HydrophobicContact CB-CG1 4.09Å; D199-I201 PolarHBondContact O-N 3.24Å; I201-Y203 PolarHBondContact O-N 3.43Å; I201-A204 HydrophobicContact CB-CB 4.44Å; I201-A204 WeakPolarHBondContact O-CB 3.43Å; I201-A204 PolarHBondContact O-N 3.1Å; I201-A204 VanDerWaalsContact O-N 3.16Å
202	Q	92.9	Very high	92.1	Very high	135 Å²	135	66.9 Å²	66.9	63%	0.631	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	137.6	179.1	-167.3	177.9	6.2	0	0	111.8	A204	Q202-A204 PolarHBondContact O-N 3.23Å
203	Y	93.7	Very high	91.6	Very high	76 Å²	76	72.1 Å²	72.1	30%	0.298	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	-0.1	-176.8	-46.8	-56.7	0	0	0	116.7	E80 P81 I201 K205 E206 A207	E80-Y203 HydrophobicContact CB-CE2 4.44Å; P81-Y203 VanDerWaalsContact CD-CD1 3.44Å; P81-Y203 VanDerWaalsContact CD-CG 3.5Å; P81-Y203 HydrophobicContact CG-CD1 3.94Å; P81-Y203 HydrophobicContact CG-CG 4.27Å; I201-Y203 PolarHBondContact O-N 3.43Å; Y203-K205 VanDerWaalsContact C-N 3.33Å; Y203-K205 PolarHBondContact O-N 3.27Å; Y203-E206 VanDerWaalsContact CA-OE2 3.3Å; Y203-E206 WeakPolarHBondContact CA-OE2 3.33Å; Y203-E206 PolarHBondContact O-N 3.02Å; Y203-A207 VanDerWaalsContact O-CB 3.25Å; Y203-A207 WeakPolarHBondContact O-CB 3.43Å; Y203-A207 PolarHBondContact O-N 2.97Å
204	A	92.4	Very high	91.4	Very high	1 Å²	1	81 Å²	81	1%	0.008	40%	0.402	C	S	.	.	H	α-helix	trans	-65	-35.1	-175.4	0	0	0	0	0	113.4	L78 A196 E197 I201 Q202 A207 L208	L78-A204 HydrophobicContact CD2-CB 4.38Å; A196-A204 VanDerWaalsContact C-CB 3.48Å; A196-A204 HydrophobicContact CB-CB 3.82Å; E197-A204 HydrophobicContact CB-CB 4.21Å; I201-A204 HydrophobicContact CB-CB 4.44Å; I201-A204 WeakPolarHBondContact O-CB 3.43Å; I201-A204 PolarHBondContact O-N 3.1Å; I201-A204 VanDerWaalsContact O-N 3.16Å; Q202-A204 PolarHBondContact O-N 3.23Å; A204-A207 PolarHBondContact O-N 3.2Å; A204-L208 WeakPolarHBondContact O-CB 3.42Å; A204-L208 PolarHBondContact O-N 2.85Å
205	K	93	Very high	91.1	Very high	142 Å²	142	80.1 Å²	80.1	62%	0.617	40%	0.399	S	S	*	.	H	α-helix	trans	-68.3	-45.1	178.3	-175.9	175.4	-178	177.6	0	112.1	Y203 L208 S209	Y203-K205 VanDerWaalsContact C-N 3.33Å; Y203-K205 PolarHBondContact O-N 3.27Å; K205-L208 PolarHBondContact O-N 3.08Å; K205-S209 WeakPolarHBondContact O-CB 3.21Å; K205-S209 PolarHBondContact O-N 3.36Å
206	E	92.8	Very high	91	Very high	94 Å²	94	83.5 Å²	83.5	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-43	174.8	-64.7	79.5	179.9	0	0	110.8	P81 Y203 S209 N210	P81-E206 HydrophobicContact CG-CB 4.31Å; Y203-E206 VanDerWaalsContact CA-OE2 3.3Å; Y203-E206 WeakPolarHBondContact CA-OE2 3.33Å; Y203-E206 PolarHBondContact O-N 3.02Å; E206-S209 PolarHBondContact O-N 3.33Å; E206-N210 WeakPolarHBondContact O-CB 2.85Å; E206-N210 PolarHBondContact O-N 3.3Å; E206-N210 VanDerWaalsContact O-N 3.08Å; E206-N210 PolarHBondContact O-ND2 3.12Å
207	A	92.3	Very high	90.8	Very high	3 Å²	3	88.6 Å²	88.6	3%	0.025	44%	0.444	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.1	0	0	0	0	0	112.4	L78 A148 I193 Y203 A204 S209 N210 K211	L78-A207 HydrophobicContact CD2-CB 3.39Å; A148-A207 HydrophobicContact CB-CB 3.5Å; I193-A207 HydrophobicContact CG2-CB 3.82Å; Y203-A207 VanDerWaalsContact O-CB 3.25Å; Y203-A207 WeakPolarHBondContact O-CB 3.43Å; Y203-A207 PolarHBondContact O-N 2.97Å; A204-A207 PolarHBondContact O-N 3.2Å; A207-S209 VanDerWaalsContact C-N 3.33Å; A207-S209 PolarHBondContact O-N 3.35Å; A207-N210 PolarHBondContact O-N 3.36Å; A207-N210 VanDerWaalsContact O-N 3.16Å; A207-K211 VanDerWaalsContact O-CB 3.29Å; A207-K211 WeakPolarHBondContact O-CB 3.1Å; A207-K211 PolarHBondContact O-N 3.01Å
208	L	91.9	Very high	90.7	Very high	28 Å²	28	87.8 Å²	87.8	15%	0.147	44%	0.442	C	S	.	.	H	α-helix	trans	-64.1	-39.5	178.2	-166.8	65.9	0	0	0	111.5	Y190 I193 E194 E197 A204 K205 N210 K211	Y190-L208 HydrophobicContact CD2-CD1 4.45Å; Y190-L208 HydrophobicContact CE1-CD1 3.9Å; Y190-L208 HydrophobicContact CE2-CD1 3.82Å; Y190-L208 VanDerWaalsContact CZ-CD1 3.48Å; I193-L208 HydrophobicContact CB-CD1 4.48Å; I193-L208 HydrophobicContact CG2-CB 3.87Å; I193-L208 HydrophobicContact CG2-CD1 4.01Å; E194-L208 HydrophobicContact CB-CD1 4.31Å; E197-L208 WeakPolarHBondContact OE2-CD2 3.43Å; A204-L208 WeakPolarHBondContact O-CB 3.42Å; A204-L208 PolarHBondContact O-N 2.85Å; K205-L208 PolarHBondContact O-N 3.08Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 3.45Å; L208-K211 PolarHBondContact O-N 3.31Å
209	S	92	Very high	90.8	Very high	103 Å²	103	81.3 Å²	81.3	72%	0.72	42%	0.419	S	S	*	.	H	α-helix	trans	-63.4	-29.6	175.1	-172.8	0	0	0	0	113.3	K205 E206 A207	K205-S209 WeakPolarHBondContact O-CB 3.21Å; K205-S209 PolarHBondContact O-N 3.36Å; E206-S209 PolarHBondContact O-N 3.33Å; A207-S209 VanDerWaalsContact C-N 3.33Å; A207-S209 PolarHBondContact O-N 3.35Å
210	N	90.2	Very high	90.9	Very high	81 Å²	81	77.5 Å²	77.5	43%	0.433	40%	0.399	S	S	.	.	H	α-helix	trans	-95.3	-20.4	-178.3	-70.1	-27.9	0	0	0	113.4	T149 E206 A207 L208 L212	T149-N210 HydrophobicContact CG2-CB 4.16Å; E206-N210 WeakPolarHBondContact O-CB 2.85Å; E206-N210 PolarHBondContact O-N 3.3Å; E206-N210 VanDerWaalsContact O-N 3.08Å; E206-N210 PolarHBondContact O-ND2 3.12Å; A207-N210 PolarHBondContact O-N 3.36Å; A207-N210 VanDerWaalsContact O-N 3.16Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 3.45Å; N210-L212 PolarHBondContact O-N 2.95Å
211	K	91.6	Very high	91	Very high	15 Å²	15	75.2 Å²	75.2	7%	0.065	37%	0.37	C	S	.	.			trans	-78.6	118.7	-174.8	-169.2	70.6	167.6	-177.7	0	112.1	A148 T149 L188 Y190 I193 A207 L208 E221	A148-K211 WeakPolarHBondContact O-CD 3.16Å; A148-K211 PolarHBondContact O-NZ 3.42Å; T149-K211 HydrophobicContact CG2-CD 4.22Å; L188-K211 VanDerWaalsContact O-CE 3.25Å; L188-K211 WeakPolarHBondContact O-CE 3.31Å; L188-K211 PolarHBondContact O-NZ 3.19Å; Y190-K211 HydrophobicContact CD2-CB 4.31Å; Y190-K211 HydrophobicContact CD2-CG 3.95Å; I193-K211 HydrophobicContact CD1-CB 4.1Å; I193-K211 HydrophobicContact CD1-CD 3.88Å; I193-K211 HydrophobicContact CD1-CG 3.83Å; A207-K211 VanDerWaalsContact O-CB 3.29Å; A207-K211 WeakPolarHBondContact O-CB 3.1Å; A207-K211 PolarHBondContact O-N 3.01Å; L208-K211 PolarHBondContact O-N 3.31Å; K211-E221 IonicContact NZ-OE2 3.18Å; K211-E221 PolarHBondContact NZ-OE2 3.3Å
212	L	86.1	Confident	91.2	Very high	122 Å²	122	76.3 Å²	76.3	64%	0.639	37%	0.373	S	S	*	.			trans	-74.7	126	173.1	-64.5	174.6	0	0	0	111.4	N210 K214 L215	N210-L212 PolarHBondContact O-N 2.95Å; L212-K214 PolarHBondContact O-N 3.49Å; L212-L215 HydrophobicContact CB-CD2 4.4Å
213	K	82	Confident	91.2	Very high	163 Å²	163	70.5 Å²	70.5	71%	0.709	35%	0.347	S	S	*	.	S	Bend	trans	-59.4	-30.6	172.6	-73.4	-171.9	174.1	-171.8	0	113.7	Y190	Y190-K213 HydrophobicContact CD2-CG 3.67Å; Y190-K213 HydrophobicContact CE1-CG 4.35Å; Y190-K213 HydrophobicContact CE2-CD 4.24Å; Y190-K213 HydrophobicContact CE2-CG 3.4Å; Y190-K213 HydrophobicContact CG-CG 4.25Å; Y190-K213 WeakPolarHBondContact OH-CE 3.02Å
214	K	87.8	Confident	91.3	Very high	187 Å²	187	66.9 Å²	66.9	81%	0.813	33%	0.333	S	S	*	.	S	Bend	trans	-121.5	100.5	178.6	-171.3	176.2	-177	178.4	0	109.7	L212	L212-K214 PolarHBondContact O-N 3.49Å
215	L	87.4	Confident	91.4	Very high	45 Å²	45	67.8 Å²	67.8	24%	0.236	34%	0.338	C	S	.	.			trans	-72.9	155.4	173.5	-60.7	173.7	0	0	0	110.7	L212 E221 F222	L212-L215 HydrophobicContact CB-CD2 4.4Å; L215-E221 HydrophobicContact CD1-CB 3.84Å; L215-E221 HydrophobicContact CD2-CB 4.19Å; L215-E221 WeakPolarHBondContact CD2-OE2 3.32Å; L215-F222 HydrophobicContact CB-CB 4.16Å; L215-F222 HydrophobicContact CB-CD2 4.43Å; L215-F222 HydrophobicContact CD1-CB 4.34Å
216	K	89.4	Confident	91.3	Very high	137 Å²	137	62.9 Å²	62.9	60%	0.596	32%	0.317	S	S	*	.			trans	-78	146.4	166.5	-57.2	178.5	173.9	-177.2	0	109.2	D218 S219 F222	K216-D218 WeakPolarHBondContact CB-OD1 3.3Å; K216-D218 PolarHBondContact O-N 3.08Å; K216-S219 PolarHBondContact O-N 2.98Å; K216-S219 PolarHBondContact O-OG 3.38Å; K216-F222 VanDerWaalsContact O-CB 3.25Å; K216-F222 WeakPolarHBondContact O-CB 3.35Å
217	T	89.7	Confident	91.2	Very high	108 Å²	108	59.5 Å²	59.5	66%	0.663	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.2	-175.9	49.8	0	0	0	0	114.3	F222	T217-F222 HydrophobicContact CG2-CE1 4.22Å; T217-F222 HydrophobicContact CG2-CZ 4.18Å; T217-F222 WeakPolarHBondContact O-CD1 3.35Å
218	D	90.3	Very high	91	Very high	64 Å²	64	60.5 Å²	60.5	34%	0.342	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.7	177	60.9	-25.5	0	0	0	113.2	K216 S240 Y244	K216-D218 WeakPolarHBondContact CB-OD1 3.3Å; K216-D218 PolarHBondContact O-N 3.08Å; D218-S240 PolarHBondContact O-OG 3.26Å; D218-Y244 WeakPolarHBondContact O-CE2 3.24Å
219	S	93.8	Very high	90.7	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.063	33%	0.325	C	S	.	.	S	Bend	trans	-74.5	150	-177.3	81.9	0	0	0	0	112.4	K216 E221 F222 V223 S240	K216-S219 PolarHBondContact O-N 2.98Å; K216-S219 PolarHBondContact O-OG 3.38Å; S219-E221 VanDerWaalsContact C-N 3.25Å; S219-E221 PolarHBondContact O-N 3.39Å; S219-F222 PolarHBondContact O-N 3.44Å; S219-F222 VanDerWaalsContact O-N 3.09Å; S219-F222 PolarHBondContact OG-N 3.16Å; S219-V223 WeakPolarHBondContact O-CG2 3.28Å; S219-V223 PolarHBondContact O-N 2.82Å; S219-S240 VanDerWaalsContact C-OG 3.3Å
220	P	95.2	Very high	90.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-55.2	-43	179.4	-29.5	36.5	0	0	0	112	W150 F222 V223 L224 S240 L241 Y244	W150-P220 HydrophobicContact CD2-CB 4.05Å; W150-P220 HydrophobicContact CD2-CG 3.78Å; W150-P220 HydrophobicContact CE3-CB 3.89Å; W150-P220 HydrophobicContact CE3-CG 4.05Å; W150-P220 HydrophobicContact CG-CB 4.37Å; W150-P220 HydrophobicContact CG-CG 4.07Å; W150-P220 HydrophobicContact CZ2-CG 4.38Å; W150-P220 HydrophobicContact CZ3-CB 4.41Å; W150-P220 HydrophobicContact CZ3-CG 4.48Å; P220-F222 VanDerWaalsContact C-N 3.34Å; P220-F222 PolarHBondContact O-N 2.84Å; P220-V223 PolarHBondContact O-N 3.01Å; P220-L224 HydrophobicContact CB-CD1 4.01Å; P220-L224 WeakPolarHBondContact O-CB 3.26Å; P220-L224 WeakPolarHBondContact O-CD1 3.48Å; P220-L224 WeakPolarHBondContact O-CG 3.24Å; P220-L224 PolarHBondContact O-N 2.76Å; P220-S240 WeakPolarHBondContact CA-OG 3.42Å; P220-S240 WeakPolarHBondContact CD-OG 3.45Å; P220-S240 VanDerWaalsContact N-OG 3.1Å; P220-L241 HydrophobicContact CB-CD2 3.99Å; P220-L241 HydrophobicContact CG-CD2 4.43Å; P220-Y244 HydrophobicContact CG-CD1 4.4Å; P220-Y244 HydrophobicContact CG-CD2 4.15Å; P220-Y244 HydrophobicContact CG-CG 3.9Å
221	E	95.1	Very high	90.3	Very high	20 Å²	20	64.6 Å²	64.6	9%	0.093	33%	0.333	C	S	.	.	H	α-helix	trans	-56.4	-43.5	178	-63.8	178.9	-133	0	0	113.4	T149 W150 F187 K211 L215 S219 N225	T149-E221 WeakPolarHBondContact CA-OE1 3.39Å; W150-E221 HydrophobicContact CB-CG 3.96Å; W150-E221 VanDerWaalsContact N-CD 3.32Å; W150-E221 PolarHBondContact N-OE1 3.2Å; F187-E221 HydrophobicContact CD1-CG 3.93Å; F187-E221 HydrophobicContact CD2-CB 4.33Å; F187-E221 HydrophobicContact CD2-CG 4.32Å; F187-E221 HydrophobicContact CE1-CG 3.99Å; F187-E221 HydrophobicContact CE2-CG 4.34Å; F187-E221 HydrophobicContact CG-CB 4.37Å; F187-E221 HydrophobicContact CG-CG 4.1Å; F187-E221 HydrophobicContact CZ-CG 4.18Å; K211-E221 IonicContact NZ-OE2 3.18Å; K211-E221 PolarHBondContact NZ-OE2 3.3Å; L215-E221 HydrophobicContact CD1-CB 3.84Å; L215-E221 HydrophobicContact CD2-CB 4.19Å; L215-E221 WeakPolarHBondContact CD2-OE2 3.32Å; S219-E221 VanDerWaalsContact C-N 3.25Å; S219-E221 PolarHBondContact O-N 3.39Å; E221-N225 WeakPolarHBondContact O-CB 3.17Å; E221-N225 PolarHBondContact O-N 3.3Å
222	F	94.7	Very high	90.2	Very high	69 Å²	69	64.6 Å²	64.6	30%	0.303	34%	0.336	S	S	.	.	H	α-helix	trans	-73	-51	-179.8	-178.5	-89.8	0	0	0	110.8	L215 K216 T217 S219 P220 L224 N225 E226	L215-F222 HydrophobicContact CB-CB 4.16Å; L215-F222 HydrophobicContact CB-CD2 4.43Å; L215-F222 HydrophobicContact CD1-CB 4.34Å; K216-F222 VanDerWaalsContact O-CB 3.25Å; K216-F222 WeakPolarHBondContact O-CB 3.35Å; T217-F222 HydrophobicContact CG2-CE1 4.22Å; T217-F222 HydrophobicContact CG2-CZ 4.18Å; T217-F222 WeakPolarHBondContact O-CD1 3.35Å; S219-F222 PolarHBondContact O-N 3.44Å; S219-F222 VanDerWaalsContact O-N 3.09Å; S219-F222 PolarHBondContact OG-N 3.16Å; P220-F222 VanDerWaalsContact C-N 3.34Å; P220-F222 PolarHBondContact O-N 2.84Å; F222-L224 PolarHBondContact O-N 3.46Å; F222-N225 PolarHBondContact O-N 2.86Å; F222-E226 HydrophobicContact CD1-CG 4.31Å; F222-E226 HydrophobicContact CE1-CG 3.96Å; F222-E226 HydrophobicContact CE2-CG 4.29Å; F222-E226 HydrophobicContact CZ-CG 3.94Å; F222-E226 WeakPolarHBondContact O-CB 3.45Å; F222-E226 WeakPolarHBondContact O-CG 3.4Å; F222-E226 PolarHBondContact O-N 3.03Å
223	V	94.4	Very high	90.4	Very high	13 Å²	13	61.4 Å²	61.4	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-65.1	-41.7	-174.5	179.7	0	0	0	0	111.4	S219 P220 E226 M227 A232 Q236 A237	S219-V223 WeakPolarHBondContact O-CG2 3.28Å; S219-V223 PolarHBondContact O-N 2.82Å; P220-V223 PolarHBondContact O-N 3.01Å; V223-E226 PolarHBondContact O-N 2.95Å; V223-M227 WeakPolarHBondContact O-CB 3.49Å; V223-M227 PolarHBondContact O-N 2.74Å; V223-A232 HydrophobicContact CG1-CB 3.98Å; V223-A232 WeakPolarHBondContact O-CB 3.5Å; V223-Q236 HydrophobicContact CG1-CB 3.86Å; V223-A237 HydrophobicContact CG1-CB 4.23Å
224	L	94.7	Very high	90.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.4	-35.8	-179.7	-75.7	155.7	0	0	0	112.9	W176 L177 I180 P186 F187 P220 F222 M227 A228 A237 L241	W176-L224 HydrophobicContact CH2-CD1 4.09Å; W176-L224 HydrophobicContact CZ3-CD1 3.75Å; W176-L224 HydrophobicContact CZ3-CD2 4.03Å; L177-L224 HydrophobicContact CD1-CD2 3.63Å; I180-L224 HydrophobicContact CD1-CD2 4.3Å; P186-L224 HydrophobicContact CG-CB 3.73Å; F187-L224 HydrophobicContact CD2-CB 4.27Å; F187-L224 HydrophobicContact CE2-CB 4.04Å; F187-L224 HydrophobicContact CE2-CD1 3.67Å; F187-L224 HydrophobicContact CE2-CG 4.47Å; F187-L224 HydrophobicContact CZ-CD1 4.37Å; P220-L224 HydrophobicContact CB-CD1 4.01Å; P220-L224 WeakPolarHBondContact O-CB 3.26Å; P220-L224 WeakPolarHBondContact O-CD1 3.48Å; P220-L224 WeakPolarHBondContact O-CG 3.24Å; P220-L224 PolarHBondContact O-N 2.76Å; F222-L224 PolarHBondContact O-N 3.46Å; L224-M227 HydrophobicContact CD2-CE 3.96Å; L224-M227 WeakPolarHBondContact O-CB 3.42Å; L224-M227 PolarHBondContact O-N 3.11Å; L224-A228 PolarHBondContact O-N 3.01Å; L224-A237 HydrophobicContact CD2-CB 3.72Å; L224-A237 HydrophobicContact CG-CB 4.13Å; L224-L241 HydrophobicContact CD1-CD1 4.3Å; L224-L241 HydrophobicContact CD1-CD2 3.88Å; L224-L241 HydrophobicContact CD1-CG 4.15Å
225	N	94.3	Very high	91.2	Very high	20 Å²	20	47.3 Å²	47.3	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-71.3	-38.8	173.6	-77.7	13.1	0	0	0	111.7	I185 P186 F187 E221 F222 M227 A228 N229	I185-N225 HydrophobicContact CG2-CB 4.11Å; I185-N225 VanDerWaalsContact CG2-CG 3.42Å; I185-N225 WeakPolarHBondContact CG2-ND2 3.35Å; I185-N225 WeakPolarHBondContact CG2-OD1 3.33Å; P186-N225 VanDerWaalsContact CD-OD1 3.31Å; P186-N225 WeakPolarHBondContact CD-OD1 3.48Å; F187-N225 PolarHBondContact N-OD1 2.87Å; F187-N225 PolarHBondContact O-ND2 2.96Å; F187-N225 PolarHBondContact O-OD1 2.87Å; E221-N225 WeakPolarHBondContact O-CB 3.17Å; E221-N225 PolarHBondContact O-N 3.3Å; F222-N225 PolarHBondContact O-N 2.86Å; N225-M227 VanDerWaalsContact C-N 3.28Å; N225-M227 PolarHBondContact O-N 2.83Å; N225-A228 WeakPolarHBondContact O-CB 3.38Å; N225-A228 PolarHBondContact O-N 2.74Å; N225-N229 PolarHBondContact O-N 2.81Å; N225-N229 PolarHBondContact O-ND2 2.83Å
226	E	92.5	Very high	91.5	Very high	39 Å²	39	49.7 Å²	49.7	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-71.8	-21.8	174.8	-70.2	-72.4	68.6	0	0	113	F222 V223 N229 G230 K231 A232	F222-E226 HydrophobicContact CD1-CG 4.31Å; F222-E226 HydrophobicContact CE1-CG 3.96Å; F222-E226 HydrophobicContact CE2-CG 4.29Å; F222-E226 HydrophobicContact CZ-CG 3.94Å; F222-E226 WeakPolarHBondContact O-CB 3.45Å; F222-E226 WeakPolarHBondContact O-CG 3.4Å; F222-E226 PolarHBondContact O-N 3.03Å; V223-E226 PolarHBondContact O-N 2.95Å; E226-N229 CarbonylContact O-C 3.51Å; E226-N229 PolarHBondContact O-N 2.9Å; E226-N229 PolarHBondContact OE1-ND2 2.88Å; E226-G230 PolarHBondContact O-N 2.98Å; E226-K231 HydrophobicContact CB-CB 4.25Å; E226-K231 PolarHBondContact O-N 2.83Å; E226-K231 WeakPolarHBondContact OE1-CD 3.34Å; E226-K231 IonicContact OE1-NZ 2.68Å; E226-K231 PolarHBondContact OE1-NZ 3.08Å; E226-K231 WeakPolarHBondContact OE2-CD 3.36Å; E226-K231 WeakPolarHBondContact OE2-CE 3.37Å; E226-K231 IonicContact OE2-NZ 2.83Å; E226-K231 PolarHBondContact OE2-NZ 2.88Å; E226-A232 HydrophobicContact CB-CB 4.26Å; E226-A232 PolarHBondContact O-N 3.3Å
227	M	90.1	Very high	91.8	Very high	24 Å²	24	43.1 Å²	43.1	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-41.7	169.7	-174.6	-175.7	72.6	0	0	111.5	L177 V223 L224 N225 N229 G230 A232 Y234 A237	L177-M227 HydrophobicContact CD1-CE 3.86Å; L177-M227 HydrophobicContact CD1-SD 4.21Å; V223-M227 WeakPolarHBondContact O-CB 3.49Å; V223-M227 PolarHBondContact O-N 2.74Å; L224-M227 HydrophobicContact CD2-CE 3.96Å; L224-M227 WeakPolarHBondContact O-CB 3.42Å; L224-M227 PolarHBondContact O-N 3.11Å; N225-M227 VanDerWaalsContact C-N 3.28Å; N225-M227 PolarHBondContact O-N 2.83Å; M227-N229 PolarHBondContact O-N 3.38Å; M227-G230 PolarHBondContact O-N 3.17Å; M227-A232 WeakPolarHBondContact CA-O 3.23Å; M227-A232 HydrophobicContact CB-CB 4.19Å; M227-Y234 HydrophobicContact CE-CD1 4.34Å; M227-Y234 HydrophobicContact CE-CE1 4.02Å; M227-Y234 HydrophobicContact SD-CD1 3.84Å; M227-Y234 HydrophobicContact SD-CD2 4.25Å; M227-Y234 HydrophobicContact SD-CE1 4.03Å; M227-Y234 HydrophobicContact SD-CE2 4.43Å; M227-Y234 HydrophobicContact SD-CG 3.94Å; M227-A237 HydrophobicContact SD-CB 3.81Å
228	A	87.3	Confident	92.1	Very high	24 Å²	24	38 Å²	38	20%	0.198	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-31	172.9	0	0	0	0	0	112.4	H184 I185 L224 N225 G230	H184-A228 WeakPolarHBondContact O-CB 3.23Å; I185-A228 HydrophobicContact CG1-CB 4.03Å; L224-A228 PolarHBondContact O-N 3.01Å; N225-A228 WeakPolarHBondContact O-CB 3.38Å; N225-A228 PolarHBondContact O-N 2.74Å; A228-G230 VanDerWaalsContact C-N 3.3Å
229	N	87	Confident	92.4	Very high	88 Å²	88	37.6 Å²	37.6	47%	0.471	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.6	173.6	-64.5	-32.7	0	0	0	114.2	N225 E226 M227 K231	N225-N229 PolarHBondContact O-N 2.81Å; N225-N229 PolarHBondContact O-ND2 2.83Å; E226-N229 CarbonylContact O-C 3.51Å; E226-N229 PolarHBondContact O-N 2.9Å; E226-N229 PolarHBondContact OE1-ND2 2.88Å; M227-N229 PolarHBondContact O-N 3.38Å; N229-K231 VanDerWaalsContact C-N 3.3Å; N229-K231 HydrophobicContact CB-CD 4.23Å; N229-K231 HydrophobicContact CB-CG 4.42Å; N229-K231 PolarHBondContact O-N 3.42Å
230	G	83.8	Confident	92.5	Very high	68 Å²	68	37.7 Å²	37.7	70%	0.701	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	16.4	-179.2	0	0	0	0	0	115.5	E226 M227 A228	E226-G230 PolarHBondContact O-N 2.98Å; M227-G230 PolarHBondContact O-N 3.17Å; A228-G230 VanDerWaalsContact C-N 3.3Å
231	K	88.5	Confident	92.6	Very high	141 Å²	141	37.7 Å²	37.7	61%	0.613	21%	0.207	S	C	*	.	S	Bend	trans	-100.7	-14.8	179.3	-60.3	164.7	-179.2	168.2	0	113.6	E226 N229	E226-K231 HydrophobicContact CB-CB 4.25Å; E226-K231 PolarHBondContact O-N 2.83Å; E226-K231 WeakPolarHBondContact OE1-CD 3.34Å; E226-K231 IonicContact OE1-NZ 2.68Å; E226-K231 PolarHBondContact OE1-NZ 3.08Å; E226-K231 WeakPolarHBondContact OE2-CD 3.36Å; E226-K231 WeakPolarHBondContact OE2-CE 3.37Å; E226-K231 IonicContact OE2-NZ 2.83Å; E226-K231 PolarHBondContact OE2-NZ 2.88Å; N229-K231 VanDerWaalsContact C-N 3.3Å; N229-K231 HydrophobicContact CB-CD 4.23Å; N229-K231 HydrophobicContact CB-CG 4.42Å; N229-K231 PolarHBondContact O-N 3.42Å
232	A	89.5	Confident	92.7	Very high	15 Å²	15	36.7 Å²	36.7	12%	0.124	20%	0.203	C	C	.	.	S	Bend	trans	-125.3	163.8	171.5	0	0	0	0	0	110.5	V223 E226 M227	V223-A232 HydrophobicContact CG1-CB 3.98Å; V223-A232 WeakPolarHBondContact O-CB 3.5Å; E226-A232 HydrophobicContact CB-CB 4.26Å; E226-A232 PolarHBondContact O-N 3.3Å; M227-A232 WeakPolarHBondContact CA-O 3.23Å; M227-A232 HydrophobicContact CB-CB 4.19Å
233	T	90.9	Very high	92.6	Very high	56 Å²	56	34.9 Å²	34.9	34%	0.344	20%	0.195	S	C	.	.			trans	-113.1	158.6	-175.2	58.4	0	0	0	0	112.1	L235 Q236 A237	T233-L235 PolarHBondContact O-N 3.18Å; T233-Q236 PolarHBondContact O-N 3.44Å; T233-Q236 VanDerWaalsContact O-N 3.08Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.5Å; T233-Q236 PolarHBondContact OG1-N 3.4Å; T233-Q236 PolarHBondContact OG1-OE1 3.23Å; T233-A237 PolarHBondContact O-N 2.87Å
234	Y	92.7	Very high	92.7	Very high	27 Å²	27	35.4 Å²	35.4	11%	0.106	20%	0.196	C	C	.	.	H	α-helix	trans	-52.7	-35.6	171.5	-77.9	-82.9	0	0	0	112.9	L177 M227 A237 F238 M319 A322	L177-Y234 HydrophobicContact CD1-CD1 3.89Å; L177-Y234 HydrophobicContact CD1-CE1 4.2Å; L177-Y234 HydrophobicContact CD2-CD1 4.43Å; L177-Y234 HydrophobicContact CG-CD1 4.03Å; L177-Y234 HydrophobicContact CG-CE1 4.46Å; M227-Y234 HydrophobicContact CE-CD1 4.34Å; M227-Y234 HydrophobicContact CE-CE1 4.02Å; M227-Y234 HydrophobicContact SD-CD1 3.84Å; M227-Y234 HydrophobicContact SD-CD2 4.25Å; M227-Y234 HydrophobicContact SD-CE1 4.03Å; M227-Y234 HydrophobicContact SD-CE2 4.43Å; M227-Y234 HydrophobicContact SD-CG 3.94Å; Y234-A237 PolarHBondContact O-N 3.39Å; Y234-F238 WeakPolarHBondContact O-CB 3.45Å; Y234-F238 PolarHBondContact O-N 3.41Å; Y234-M319 HydrophobicContact CD2-CG 4.43Å; Y234-A322 HydrophobicContact CD1-CB 3.97Å; Y234-A322 HydrophobicContact CE1-CB 3.41Å; Y234-A322 VanDerWaalsContact CE1-CB 3.41Å; Y234-A322 HydrophobicContact CE2-CB 4.3Å
235	L	93.1	Very high	92.7	Very high	26 Å²	26	35.8 Å²	35.8	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-52.1	174.5	-178.5	85.9	0	0	0	111.9	T233 E239 T251 A303 W304 N305	T233-L235 PolarHBondContact O-N 3.18Å; L235-E239 WeakPolarHBondContact O-CB 3.5Å; L235-E239 PolarHBondContact O-N 3.03Å; L235-T251 HydrophobicContact CD1-CG2 4.19Å; L235-T251 HydrophobicContact CD2-CG2 3.79Å; L235-T251 WeakPolarHBondContact CD2-OG1 3.48Å; L235-T251 HydrophobicContact CG-CG2 4.4Å; L235-T251 WeakPolarHBondContact CG-OG1 3.39Å; L235-A303 HydrophobicContact CD1-CB 4.17Å; L235-A303 HydrophobicContact CD2-CB 3.93Å; L235-W304 VanDerWaalsContact CD1-C 3.42Å; L235-W304 WeakPolarHBondContact CD1-O 3.32Å; L235-N305 WeakPolarHBondContact CD1-OD1 3.42Å; L235-N305 PolarHBondContact O-ND2 3.41Å; L235-N305 PolarHBondContact O-OD1 3.34Å
236	Q	94.3	Very high	92.7	Very high	95 Å²	95	38.7 Å²	38.7	44%	0.444	21%	0.214	S	C	.	.	H	α-helix	trans	-66.9	-39.2	178.1	-69	165.4	-59.5	0	0	111.8	V223 T233 S240	V223-Q236 HydrophobicContact CG1-CB 3.86Å; T233-Q236 PolarHBondContact O-N 3.44Å; T233-Q236 VanDerWaalsContact O-N 3.08Å; T233-Q236 WeakPolarHBondContact OG1-CG 3.5Å; T233-Q236 PolarHBondContact OG1-N 3.4Å; T233-Q236 PolarHBondContact OG1-OE1 3.23Å; Q236-S240 VanDerWaalsContact O-CB 3.27Å; Q236-S240 WeakPolarHBondContact O-CB 3.35Å; Q236-S240 PolarHBondContact O-N 2.9Å
237	A	95.3	Very high	92.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-46.6	177.7	0	0	0	0	0	111.5	L177 V223 L224 M227 T233 Y234 S240 L241	L177-A237 HydrophobicContact CD1-CB 3.92Å; V223-A237 HydrophobicContact CG1-CB 4.23Å; L224-A237 HydrophobicContact CD2-CB 3.72Å; L224-A237 HydrophobicContact CG-CB 4.13Å; M227-A237 HydrophobicContact SD-CB 3.81Å; T233-A237 PolarHBondContact O-N 2.87Å; Y234-A237 PolarHBondContact O-N 3.39Å; A237-S240 PolarHBondContact O-N 2.92Å; A237-L241 VanDerWaalsContact O-CG 3.24Å; A237-L241 WeakPolarHBondContact O-CG 3.37Å; A237-L241 PolarHBondContact O-N 3.25Å
238	F	97	Very high	93.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-40.3	177.8	-174.4	-109.8	0	0	0	112.8	V170 F174 L177 Y234 L241 C242 N305 F316 P318	V170-F238 HydrophobicContact CG1-CE2 3.84Å; V170-F238 HydrophobicContact CG1-CZ 3.54Å; F174-F238 HydrophobicContact CB-CE2 3.94Å; F174-F238 AromaticContact CD2-CD2 3.98Å; F174-F238 HydrophobicContact CD2-CD2 3.98Å; F174-F238 AromaticContact CD2-CE2 3.63Å; F174-F238 HydrophobicContact CD2-CE2 3.63Å; F174-F238 HydrophobicContact CD2-CZ 4.01Å; F174-F238 HydrophobicContact CG-CE2 4.29Å; L177-F238 HydrophobicContact CD2-CB 3.67Å; L177-F238 HydrophobicContact CD2-CD2 4.09Å; L177-F238 HydrophobicContact CD2-CG 4.33Å; Y234-F238 WeakPolarHBondContact O-CB 3.45Å; Y234-F238 PolarHBondContact O-N 3.41Å; F238-L241 PolarHBondContact O-N 2.93Å; F238-C242 VanDerWaalsContact CZ-SG 3.6Å; F238-C242 PolarHBondContact O-N 3.41Å; F238-C242 PolarHBondContact O-SG 2.69Å; F238-C242 VanDerWaalsContact O-SG 3.33Å; F238-N305 HydrophobicContact CD1-CB 3.62Å; F238-N305 WeakPolarHBondContact CD1-OD1 3.3Å; F238-N305 HydrophobicContact CE1-CB 3.88Å; F238-F316 HydrophobicContact CD1-CB 4.49Å; F238-F316 HydrophobicContact CE1-CB 3.77Å; F238-F316 HydrophobicContact CE1-CD1 4.42Å; F238-F316 HydrophobicContact CE1-CD2 4.01Å; F238-F316 AromaticContact CE1-CG 3.79Å; F238-F316 HydrophobicContact CE1-CG 3.79Å; F238-F316 HydrophobicContact CZ-CB 4.14Å; F238-F316 AromaticContact CZ-CD1 3.99Å; F238-F316 HydrophobicContact CZ-CD1 3.99Å; F238-F316 HydrophobicContact CZ-CD2 4.19Å; F238-F316 AromaticContact CZ-CG 3.81Å; F238-F316 HydrophobicContact CZ-CG 3.81Å; F238-P318 HydrophobicContact CB-CB 4.27Å; F238-P318 HydrophobicContact CB-CG 3.9Å; F238-P318 HydrophobicContact CG-CG 4.32Å
239	E	95.5	Very high	93.5	Very high	56 Å²	56	36.8 Å²	36.8	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-45	175	-167.2	170.2	147.8	0	0	111	L235 C242 H243 T251	L235-E239 WeakPolarHBondContact O-CB 3.5Å; L235-E239 PolarHBondContact O-N 3.03Å; E239-C242 PolarHBondContact O-N 2.88Å; E239-H243 WeakPolarHBondContact O-CB 3.34Å; E239-H243 PolarHBondContact O-N 3.17Å; E239-T251 PolarHBondContact OE2-N 2.76Å; E239-T251 PolarHBondContact OE2-OG1 2.73Å
240	S	96.1	Very high	93.8	Very high	10 Å²	10	34 Å²	34	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-46.7	174.7	-178.4	0	0	0	0	112.6	D218 S219 P220 Q236 A237 C242 H243 Y244	D218-S240 PolarHBondContact O-OG 3.26Å; S219-S240 VanDerWaalsContact C-OG 3.3Å; P220-S240 WeakPolarHBondContact CA-OG 3.42Å; P220-S240 WeakPolarHBondContact CD-OG 3.45Å; P220-S240 VanDerWaalsContact N-OG 3.1Å; Q236-S240 VanDerWaalsContact O-CB 3.27Å; Q236-S240 WeakPolarHBondContact O-CB 3.35Å; Q236-S240 PolarHBondContact O-N 2.9Å; A237-S240 PolarHBondContact O-N 2.92Å; S240-C242 PolarHBondContact O-N 2.74Å; S240-H243 PolarHBondContact O-N 2.84Å; S240-Y244 WeakPolarHBondContact O-CB 2.94Å; S240-Y244 WeakPolarHBondContact O-CD2 3.37Å; S240-Y244 PolarHBondContact O-N 3.18Å
241	L	97.4	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-49.1	176.7	-73.6	169.3	0	0	0	112	W150 L173 L177 P220 L224 A237 F238 S245	W150-L241 HydrophobicContact CE3-CD2 4.06Å; W150-L241 HydrophobicContact CH2-CD2 3.57Å; W150-L241 HydrophobicContact CZ3-CD2 3.23Å; L173-L241 HydrophobicContact CD2-CD2 4.31Å; L177-L241 HydrophobicContact CB-CD1 4.16Å; L177-L241 HydrophobicContact CD2-CD1 4.29Å; P220-L241 HydrophobicContact CB-CD2 3.99Å; P220-L241 HydrophobicContact CG-CD2 4.43Å; L224-L241 HydrophobicContact CD1-CD1 4.3Å; L224-L241 HydrophobicContact CD1-CD2 3.88Å; L224-L241 HydrophobicContact CD1-CG 4.15Å; A237-L241 VanDerWaalsContact O-CG 3.24Å; A237-L241 WeakPolarHBondContact O-CG 3.37Å; A237-L241 PolarHBondContact O-N 3.25Å; F238-L241 PolarHBondContact O-N 2.93Å; L241-S245 PolarHBondContact O-N 2.7Å; L241-S245 VanDerWaalsContact O-N 3.16Å; L241-S245 PolarHBondContact O-OG 2.79Å
242	C	96.7	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-46.7	178.3	-66.3	0	0	0	0	111.8	F238 E239 S240 Y244 S245 N246 I247 C249	F238-C242 VanDerWaalsContact CZ-SG 3.6Å; F238-C242 PolarHBondContact O-N 3.41Å; F238-C242 PolarHBondContact O-SG 2.69Å; F238-C242 VanDerWaalsContact O-SG 3.33Å; E239-C242 PolarHBondContact O-N 2.88Å; S240-C242 PolarHBondContact O-N 2.74Å; C242-Y244 VanDerWaalsContact C-N 3.33Å; C242-Y244 PolarHBondContact O-N 3.1Å; C242-S245 CarbonylContact O-C 3.49Å; C242-S245 WeakPolarHBondContact O-CA 3.35Å; C242-S245 PolarHBondContact O-N 2.92Å; C242-N246 PolarHBondContact O-N 2.87Å; C242-I247 CarbonylContact C-O 3.48Å; C242-I247 HydrophobicContact CB-CB 4.2Å; C242-I247 HydrophobicContact CB-CG2 4.45Å; C242-I247 PolarHBondContact O-N 2.89Å; C242-C249 HydrophobicContact CB-CB 3.43Å; C242-C249 VanDerWaalsContact CB-CB 3.43Å
243	H	93.8	Very high	94.9	Very high	31 Å²	31	28.8 Å²	28.8	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-58.2	-43.3	-178.6	-179.1	95.4	0	0	0	112.6	P91 L92 E239 S240 S245 N246	P91-H243 WeakPolarHBondContact CA-O 3.38Å; L92-H243 VanDerWaalsContact C-CE1 3.42Å; L92-H243 PolarHBondContact N-O 3.03Å; L92-H243 PolarHBondContact O-CE1 2.84Å; L92-H243 PolarHBondContact O-NE2 2.8Å; E239-H243 WeakPolarHBondContact O-CB 3.34Å; E239-H243 PolarHBondContact O-N 3.17Å; S240-H243 PolarHBondContact O-N 2.84Å; H243-S245 VanDerWaalsContact C-N 3.32Å; H243-N246 PolarHBondContact O-N 3.16Å
244	Y	95.8	Very high	95.1	Very high	23 Å²	23	26.1 Å²	26.1	9%	0.09	13%	0.133	C	C	.	.	H	α-helix	trans	-77.6	-13.2	177.2	-88.2	-105.9	0	0	0	114.2	P91 W150 D218 P220 S240 C242 N246	P91-Y244 HydrophobicContact CB-CD1 4.48Å; P91-Y244 HydrophobicContact CB-CG 4.45Å; P91-Y244 HydrophobicContact CG-CD1 3.82Å; P91-Y244 HydrophobicContact CG-CE1 4.04Å; P91-Y244 HydrophobicContact CG-CG 4.22Å; W150-Y244 AromaticContact CD1-CD1 3.98Å; W150-Y244 AromaticContact NE1-CD1 3.92Å; D218-Y244 WeakPolarHBondContact O-CE2 3.24Å; P220-Y244 HydrophobicContact CG-CD1 4.4Å; P220-Y244 HydrophobicContact CG-CD2 4.15Å; P220-Y244 HydrophobicContact CG-CG 3.9Å; S240-Y244 WeakPolarHBondContact O-CB 2.94Å; S240-Y244 WeakPolarHBondContact O-CD2 3.37Å; S240-Y244 PolarHBondContact O-N 3.18Å; C242-Y244 VanDerWaalsContact C-N 3.33Å; C242-Y244 PolarHBondContact O-N 3.1Å; Y244-N246 VanDerWaalsContact C-N 3.34Å
245	S	95.9	Very high	95.2	Very high	8 Å²	8	25.1 Å²	25.1	6%	0.056	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	9.2	166.7	-71.6	0	0	0	0	113.4	H154 L241 C242 H243 I247	H154-S245 PolarHBondContact CD2-OG 3.08Å; H154-S245 PolarHBondContact NE2-OG 2.92Å; L241-S245 PolarHBondContact O-N 2.7Å; L241-S245 VanDerWaalsContact O-N 3.16Å; L241-S245 PolarHBondContact O-OG 2.79Å; C242-S245 CarbonylContact O-C 3.49Å; C242-S245 WeakPolarHBondContact O-CA 3.35Å; C242-S245 PolarHBondContact O-N 2.92Å; H243-S245 VanDerWaalsContact C-N 3.32Å; S245-I247 VanDerWaalsContact C-N 3.29Å; S245-I247 PolarHBondContact O-N 3.42Å
246	N	94.1	Very high	95.3	Very high	82 Å²	82	24.1 Å²	24.1	44%	0.439	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	29.2	-175.4	-169.1	48	0	0	0	114.2	P89 K90 L92 C242 H243 Y244	P89-N246 HydrophobicContact CB-CB 3.73Å; K90-N246 WeakPolarHBondContact O-CB 3.26Å; K90-N246 PolarHBondContact O-OD1 3.09Å; L92-N246 VanDerWaalsContact CD2-OD1 3.26Å; L92-N246 WeakPolarHBondContact CD2-OD1 3.46Å; C242-N246 PolarHBondContact O-N 2.87Å; H243-N246 PolarHBondContact O-N 3.16Å; Y244-N246 VanDerWaalsContact C-N 3.34Å
247	I	95.4	Very high	95.2	Very high	2 Å²	2	20 Å²	20	1%	0.01	11%	0.106	C	C	.	.			trans	-106.2	119.4	179.5	-59	-178.6	0	0	0	108.6	D166 K169 V170 C242 S245 C249 A307 L309	D166-I247 HydrophobicContact CB-CD1 4.25Å; K169-I247 HydrophobicContact CB-CD1 4.26Å; K169-I247 HydrophobicContact CD-CD1 4.42Å; V170-I247 HydrophobicContact CG2-CD1 3.44Å; V170-I247 VanDerWaalsContact CG2-CD1 3.44Å; V170-I247 HydrophobicContact CG2-CG2 4.22Å; C242-I247 CarbonylContact C-O 3.48Å; C242-I247 HydrophobicContact CB-CB 4.2Å; C242-I247 HydrophobicContact CB-CG2 4.45Å; C242-I247 PolarHBondContact O-N 2.89Å; S245-I247 VanDerWaalsContact C-N 3.29Å; S245-I247 PolarHBondContact O-N 3.42Å; I247-C249 PolarHBondContact O-N 3.37Å; I247-A307 HydrophobicContact CG2-CB 4.46Å; I247-L309 HydrophobicContact CG2-CD2 3.75Å
248	P	94.9	Very high	94.9	Very high	28 Å²	28	21.3 Å²	21.3	18%	0.182	12%	0.119	C	C	.	.			trans	-59.8	122.4	177.4	-21.5	32	0	0	0	110.3	L92 A307 Y308 W313	L92-P248 HydrophobicContact CD1-CB 4.27Å; L92-P248 HydrophobicContact CD1-CG 4.05Å; P248-A307 CarbonylContact O-C 3.44Å; P248-A307 VanDerWaalsContact O-CA 3.25Å; P248-A307 WeakPolarHBondContact O-CA 3.38Å; P248-Y308 PolarHBondContact O-N 3.16Å; P248-W313 HydrophobicContact CB-CH2 4.15Å
249	C	95.1	Very high	94.2	Very high	17 Å²	17	28.5 Å²	28.5	12%	0.115	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.7	179.5	-173.1	0	0	0	0	108.8	C242 I247 A306 A307	C242-C249 HydrophobicContact CB-CB 3.43Å; C242-C249 VanDerWaalsContact CB-CB 3.43Å; I247-C249 PolarHBondContact O-N 3.37Å; C249-A306 CarbonylContact C-O 3.36Å; C249-A306 VanDerWaalsContact CA-O 3.3Å; C249-A306 WeakPolarHBondContact CA-O 3.46Å; C249-A306 PolarHBondContact SG-O 2.92Å; C249-A307 HydrophobicContact CB-CB 4.28Å
250	V	93.4	Very high	93.8	Very high	28 Å²	28	30.2 Å²	30.2	17%	0.17	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147	-177.4	-65.4	0	0	0	0	110.7	I104 N305 A306 W313 W369	I104-V250 HydrophobicContact CG2-CG1 4.28Å; V250-N305 WeakPolarHBondContact O-CA 3.41Å; V250-A306 HydrophobicContact CG2-CB 4.14Å; V250-A306 PolarHBondContact N-O 2.72Å; V250-A306 PolarHBondContact O-N 3.26Å; V250-W313 HydrophobicContact CG1-CH2 4.34Å; V250-W313 HydrophobicContact CG2-CH2 4.09Å; V250-W313 HydrophobicContact CG2-CZ3 3.9Å; V250-W369 HydrophobicContact CG2-CH2 3.5Å; V250-W369 HydrophobicContact CG2-CZ2 3.46Å; V250-W369 VanDerWaalsContact CG2-CZ2 3.46Å
251	T	95	Very high	93.6	Very high	38 Å²	38	30.4 Å²	30.4	23%	0.233	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	124.3	170.1	-77	0	0	0	0	111	L235 E239 K253 A303	L235-T251 HydrophobicContact CD1-CG2 4.19Å; L235-T251 HydrophobicContact CD2-CG2 3.79Å; L235-T251 WeakPolarHBondContact CD2-OG1 3.48Å; L235-T251 HydrophobicContact CG-CG2 4.4Å; L235-T251 WeakPolarHBondContact CG-OG1 3.39Å; E239-T251 PolarHBondContact OE2-N 2.76Å; E239-T251 PolarHBondContact OE2-OG1 2.73Å; T251-K253 HydrophobicContact CG2-CG 4.14Å; T251-A303 HydrophobicContact CG2-CB 4.2Å
252	V	95.6	Very high	93.2	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.6	170.2	-177.5	0	0	0	0	108.8	A303 W304 A306 P364 W369	V252-A303 VanDerWaalsContact O-CA 3.23Å; V252-A303 WeakPolarHBondContact O-CA 3.27Å; V252-A303 WeakPolarHBondContact O-CB 3.48Å; V252-W304 HydrophobicContact CB-CD2 4.35Å; V252-W304 HydrophobicContact CB-CG 4.37Å; V252-W304 HydrophobicContact CB-CZ2 4.49Å; V252-W304 HydrophobicContact CG1-CD2 4.4Å; V252-W304 HydrophobicContact CG1-CZ2 3.69Å; V252-W304 PolarHBondContact N-O 2.91Å; V252-W304 PolarHBondContact O-N 3.2Å; V252-A306 HydrophobicContact CG2-CB 3.93Å; V252-P364 HydrophobicContact CG1-CB 3.9Å; V252-W369 HydrophobicContact CB-CG 4.5Å; V252-W369 HydrophobicContact CG1-CB 3.75Å; V252-W369 HydrophobicContact CG1-CD2 4.36Å; V252-W369 HydrophobicContact CG1-CG 3.76Å; V252-W369 HydrophobicContact CG2-CD2 3.61Å; V252-W369 HydrophobicContact CG2-CE3 3.91Å; V252-W369 HydrophobicContact CG2-CG 3.91Å; V252-W369 HydrophobicContact CG2-CH2 4.46Å; V252-W369 HydrophobicContact CG2-CZ2 4.17Å; V252-W369 HydrophobicContact CG2-CZ3 4.35Å
253	K	95.1	Very high	93	Very high	75 Å²	75	33.6 Å²	33.6	33%	0.326	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.9	179.5	-63.1	171.4	-172.5	165.6	0	110.2	N98 T251 F365	N98-K253 PolarHBondContact OD1-NZ 3.44Å; T251-K253 HydrophobicContact CG2-CG 4.14Å; K253-F365 HydrophobicContact CB-CD2 3.92Å; K253-F365 HydrophobicContact CB-CE2 4.17Å; K253-F365 WeakPolarHBondContact O-CD2 3.34Å; K253-F365 PolarHBondContact O-N 2.85Å
254	G	95.3	Very high	92.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	-157.1	-179.3	0	0	0	0	0	113.8	Q301 H302 Y363 F365	G254-Q301 WeakPolarHBondContact O-CA 3.47Å; G254-H302 PolarHBondContact N-O 2.8Å; G254-H302 PolarHBondContact O-N 2.68Å; G254-H302 VanDerWaalsContact O-O 3.09Å; G254-Y363 CarbonylContact C-O 3.55Å; G254-Y363 WeakPolarHBondContact CA-O 3.14Å; G254-F365 WeakPolarHBondContact O-CZ 3.44Å
255	L	94.7	Very high	92.6	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.4	170.2	-54.3	176.6	0	0	0	109.5	L267 M297 L300 Y363 F365 L378 F381	L255-L267 HydrophobicContact CD1-CD1 4.24Å; L255-M297 HydrophobicContact CD2-CG 4.01Å; L255-L300 CarbonylContact C-O 3.52Å; L255-L300 VanDerWaalsContact CA-O 3.27Å; L255-L300 WeakPolarHBondContact CA-O 3.38Å; L255-L300 HydrophobicContact CD2-CB 4.32Å; L255-Y363 PolarHBondContact N-O 3.02Å; L255-Y363 PolarHBondContact O-N 2.93Å; L255-F365 HydrophobicContact CD2-CE1 3.77Å; L255-F365 HydrophobicContact CD2-CZ 3.9Å; L255-F365 HydrophobicContact CG-CE1 3.79Å; L255-F365 HydrophobicContact CG-CZ 4.31Å; L255-L378 HydrophobicContact CD1-CD1 4.05Å; L255-F381 HydrophobicContact CB-CE1 4.47Å
256	A	94.3	Very high	92.2	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.2	168.5	0	0	0	0	0	113	G258 L300 H302 W320 S361	A256-G258 PolarHBondContact O-N 2.91Å; A256-L300 PolarHBondContact N-O 2.87Å; A256-H302 HydrophobicContact CB-CB 3.59Å; A256-W320 HydrophobicContact CB-CH2 3.95Å; A256-W320 HydrophobicContact CB-CZ2 3.56Å; A256-S361 CarbonylContact C-O 3.51Å; A256-S361 WeakPolarHBondContact CA-O 3.4Å
257	K	93.7	Very high	91.6	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.039	19%	0.193	C	C	.	.			trans	-77.8	59.1	174.2	-65.1	-177.6	-175.2	166.6	0	110.6	Y261 Y360 S361 F381 S384 L386	K257-Y261 HydrophobicContact CB-CD1 3.72Å; K257-Y261 HydrophobicContact CB-CD2 4.32Å; K257-Y261 HydrophobicContact CB-CE1 4.12Å; K257-Y261 HydrophobicContact CB-CG 3.82Å; K257-Y261 HydrophobicContact CD-CD1 4.3Å; K257-Y261 HydrophobicContact CD-CE1 3.8Å; K257-Y261 HydrophobicContact CD-CE2 4.26Å; K257-Y261 HydrophobicContact CG-CD1 3.98Å; K257-Y261 HydrophobicContact CG-CD2 3.99Å; K257-Y261 HydrophobicContact CG-CE1 3.96Å; K257-Y261 HydrophobicContact CG-CE2 3.97Å; K257-Y261 HydrophobicContact CG-CG 3.99Å; K257-Y360 WeakPolarHBondContact CD-O 3.14Å; K257-Y360 PolarHBondContact NZ-O 2.91Å; K257-S361 PolarHBondContact N-O 2.79Å; K257-F381 HydrophobicContact CD-CE2 4.41Å; K257-F381 HydrophobicContact CD-CZ 4.24Å; K257-F381 WeakPolarHBondContact CE-O 3.11Å; K257-F381 HydrophobicContact CG-CE1 4.38Å; K257-F381 HydrophobicContact CG-CE2 4.39Å; K257-F381 HydrophobicContact CG-CZ 3.8Å; K257-F381 PolarHBondContact NZ-O 3.19Å; K257-S384 PolarHBondContact NZ-O 3.18Å; K257-S384 PolarHBondContact NZ-OG 2.69Å; K257-L386 HydrophobicContact CB-CD1 3.74Å; K257-L386 HydrophobicContact CD-CD1 3.89Å; K257-L386 HydrophobicContact CG-CD1 4.45Å
258	G	87.2	Confident	90.2	Very high	28 Å²	28	38 Å²	38	29%	0.289	21%	0.214	S	C	.	.			trans	-86	-150.1	-174.9	0	0	0	0	0	114.5	A256 D260 Y261	A256-G258 PolarHBondContact O-N 2.91Å; G258-D260 VanDerWaalsContact C-N 3.35Å; G258-D260 PolarHBondContact O-N 2.91Å; G258-Y261 WeakPolarHBondContact O-CB 3.31Å; G258-Y261 PolarHBondContact O-N 3.25Å; G258-Y261 VanDerWaalsContact O-N 3.16Å
259	V	84.3	Confident	88.3	Confident	151 Å²	151	41.6 Å²	41.6	92%	0.915	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-37.9	-174.6	178.4	0	0	0	0	113.1	Y261	V259-Y261 VanDerWaalsContact C-N 3.28Å; V259-Y261 PolarHBondContact O-N 3.15Å
260	D	85.2	Confident	86.4	Confident	91 Å²	91	41.5 Å²	41.5	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0	179.8	-72.9	-38	0	0	0	113.8	G258 R299	G258-D260 VanDerWaalsContact C-N 3.35Å; G258-D260 PolarHBondContact O-N 2.91Å; D260-R299 HydrophobicContact CB-CB 4.18Å
261	Y	92.1	Very high	84.2	Confident	15 Å²	15	44.8 Å²	44.8	6%	0.059	25%	0.246	C	C	.	.			trans	-85.7	124.5	178.3	179.7	-100	0	0	0	112.1	K257 G258 V259 V263 M265 L300 L386	K257-Y261 HydrophobicContact CB-CD1 3.72Å; K257-Y261 HydrophobicContact CB-CD2 4.32Å; K257-Y261 HydrophobicContact CB-CE1 4.12Å; K257-Y261 HydrophobicContact CB-CG 3.82Å; K257-Y261 HydrophobicContact CD-CD1 4.3Å; K257-Y261 HydrophobicContact CD-CE1 3.8Å; K257-Y261 HydrophobicContact CD-CE2 4.26Å; K257-Y261 HydrophobicContact CG-CD1 3.98Å; K257-Y261 HydrophobicContact CG-CD2 3.99Å; K257-Y261 HydrophobicContact CG-CE1 3.96Å; K257-Y261 HydrophobicContact CG-CE2 3.97Å; K257-Y261 HydrophobicContact CG-CG 3.99Å; G258-Y261 WeakPolarHBondContact O-CB 3.31Å; G258-Y261 PolarHBondContact O-N 3.25Å; G258-Y261 VanDerWaalsContact O-N 3.16Å; V259-Y261 VanDerWaalsContact C-N 3.28Å; V259-Y261 PolarHBondContact O-N 3.15Å; Y261-V263 HydrophobicContact CE1-CB 4.49Å; Y261-V263 HydrophobicContact CE1-CG2 4.23Å; Y261-M265 HydrophobicContact CD2-CB 4.5Å; Y261-M265 HydrophobicContact CE2-CB 4.2Å; Y261-L300 HydrophobicContact CD2-CD1 4.24Å; Y261-L300 HydrophobicContact CD2-CD2 4.19Å; Y261-L300 HydrophobicContact CG-CD2 4.5Å; Y261-L386 HydrophobicContact CD1-CD2 3.96Å; Y261-L386 HydrophobicContact CE1-CB 4.38Å; Y261-L386 HydrophobicContact CE1-CD2 4Å
262	V	90.8	Very high	82.1	Confident	64 Å²	64	47.8 Å²	47.8	39%	0.388	26%	0.261	S	S	.	.			trans	-104.4	134.1	168	-176.7	0	0	0	0	108.4	G264 M265	V262-G264 PolarHBondContact O-N 2.74Å; V262-M265 HydrophobicContact CB-CG 3.92Å; V262-M265 HydrophobicContact CB-SD 3.71Å; V262-M265 HydrophobicContact CG2-SD 4.11Å; V262-M265 PolarHBondContact N-SD 3.23Å; V262-M265 VanDerWaalsContact O-CB 3.27Å; V262-M265 WeakPolarHBondContact O-CB 3.1Å; V262-M265 WeakPolarHBondContact O-CG 3.47Å; V262-M265 PolarHBondContact O-N 2.75Å
263	V	92.5	Very high	79.7	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132.7	-177.5	-172.3	0	0	0	0	110.4	Y261 M265 L386 C404 E492 R494	Y261-V263 HydrophobicContact CE1-CB 4.49Å; Y261-V263 HydrophobicContact CE1-CG2 4.23Å; V263-M265 VanDerWaalsContact C-N 3.33Å; V263-L386 HydrophobicContact CG2-CB 4.29Å; V263-L386 HydrophobicContact CG2-CD2 3.96Å; V263-C404 HydrophobicContact CG1-CB 3.67Å; V263-E492 HydrophobicContact CG2-CB 3.62Å; V263-R494 HydrophobicContact CB-CB 4.3Å; V263-R494 HydrophobicContact CG1-CB 4.11Å; V263-R494 VanDerWaalsContact O-CD 3.3Å; V263-R494 WeakPolarHBondContact O-CD 3.43Å
264	G	90.4	Very high	77.5	Confident	16 Å²	16	52 Å²	52	17%	0.165	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	3	-176	0	0	0	0	0	115.2	V262 R266	V262-G264 PolarHBondContact O-N 2.74Å; G264-R266 PolarHBondContact O-N 2.68Å
265	M	89.6	Confident	75.2	Confident	34 Å²	34	56.9 Å²	56.9	17%	0.167	31%	0.306	C	S	.	.			trans	-55.2	127.5	165.5	-83.3	175.1	62.2	0	0	110.3	Y261 V262 V263 I296 L300	Y261-M265 HydrophobicContact CD2-CB 4.5Å; Y261-M265 HydrophobicContact CE2-CB 4.2Å; V262-M265 HydrophobicContact CB-CG 3.92Å; V262-M265 HydrophobicContact CB-SD 3.71Å; V262-M265 HydrophobicContact CG2-SD 4.11Å; V262-M265 PolarHBondContact N-SD 3.23Å; V262-M265 VanDerWaalsContact O-CB 3.27Å; V262-M265 WeakPolarHBondContact O-CB 3.1Å; V262-M265 WeakPolarHBondContact O-CG 3.47Å; V262-M265 PolarHBondContact O-N 2.75Å; V263-M265 VanDerWaalsContact C-N 3.33Å; M265-I296 HydrophobicContact CE-CG2 3.53Å; M265-L300 HydrophobicContact CE-CD1 4.22Å
266	R	87.4	Confident	72.8	Confident	100 Å²	100	61.4 Å²	61.4	38%	0.377	33%	0.327	S	S	.	.			trans	-82.1	138	173.9	-61.4	-62.1	179.7	-175.1	-6.3	110	G264 N268 E382 N383	G264-R266 PolarHBondContact O-N 2.68Å; R266-N268 VanDerWaalsContact C-N 3.35Å; R266-E382 WeakPolarHBondContact CA-OE2 3.42Å; R266-E382 VanDerWaalsContact CD-CD 3.48Å; R266-E382 WeakPolarHBondContact CD-OE1 3.48Å; R266-E382 IonicContact CZ-OE1 3.96Å; R266-E382 IonicContact NE-OE1 3.58Å; R266-E382 IonicContact NH1-OE1 3.13Å; R266-E382 PolarHBondContact NH1-OE1 2.97Å; R266-N383 PolarHBondContact NH1-OD1 3.17Å
267	L	82.9	Confident	70.5	Confident	6 Å²	6	67.3 Å²	67.3	3%	0.031	35%	0.354	C	S	.	.	S	Bend	trans	-96.9	7.2	172.7	-53.8	-178.9	0	0	0	110.6	L255 I270 L300 L378 F381 E382	L255-L267 HydrophobicContact CD1-CD1 4.24Å; L267-I270 HydrophobicContact CB-CD1 4.03Å; L267-I270 VanDerWaalsContact O-CB 3.26Å; L267-I270 WeakPolarHBondContact O-CB 3.46Å; L267-I270 VanDerWaalsContact O-CD1 3.23Å; L267-I270 WeakPolarHBondContact O-CD1 3.31Å; L267-I270 WeakPolarHBondContact O-CG1 3.18Å; L267-L300 HydrophobicContact CD2-CD1 3.53Å; L267-L378 HydrophobicContact CD1-CD1 3.75Å; L267-F381 HydrophobicContact CD1-CD1 3.85Å; L267-F381 HydrophobicContact CD1-CE1 4.11Å; L267-E382 HydrophobicContact CB-CG 4.37Å; L267-E382 HydrophobicContact CD1-CB 4.07Å; L267-E382 HydrophobicContact CD1-CG 4.47Å; L267-E382 HydrophobicContact CG-CB 4.22Å; L267-E382 HydrophobicContact CG-CG 4.09Å; L267-E382 PolarHBondContact N-OE2 3.06Å
268	N	65.9	Low	68.2	Low	82 Å²	82	73.7 Å²	73.7	44%	0.439	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-20.9	-176.5	-85.8	9.4	0	0	0	114.8	R266 I270 N271 K379 E382	R266-N268 VanDerWaalsContact C-N 3.35Å; N268-I270 PolarHBondContact O-N 2.88Å; N268-N271 PolarHBondContact O-N 2.83Å; N268-K379 PolarHBondContact ND2-NZ 3Å; N268-E382 PolarHBondContact N-OE2 3.25Å
269	D	54.5	Low	66	Low	104 Å²	104	78.5 Å²	78.5	56%	0.556	40%	0.399	S	S	*	.	H	α-helix	trans	-63.8	0.7	173.2	-62.6	-13.9	0	0	0	113
270	I	54.7	Low	64.1	Low	14 Å²	14	78.3 Å²	78.3	7%	0.072	39%	0.388	C	S	.	.	H	α-helix	trans	-91.3	-35.5	-173.8	-58.4	-179.8	0	0	0	111.8	L267 N268 L274 M297	L267-I270 HydrophobicContact CB-CD1 4.03Å; L267-I270 VanDerWaalsContact O-CB 3.26Å; L267-I270 WeakPolarHBondContact O-CB 3.46Å; L267-I270 VanDerWaalsContact O-CD1 3.23Å; L267-I270 WeakPolarHBondContact O-CD1 3.31Å; L267-I270 WeakPolarHBondContact O-CG1 3.18Å; N268-I270 PolarHBondContact O-N 2.88Å; I270-L274 HydrophobicContact CG2-CD1 3.99Å; I270-L274 PolarHBondContact O-N 3.05Å; I270-M297 HydrophobicContact CD1-CB 4.09Å; I270-M297 HydrophobicContact CD1-CG 4.39Å; I270-M297 HydrophobicContact CG1-CB 4.47Å; I270-M297 HydrophobicContact CG2-SD 3.98Å
271	N	47.8	Very low	62	Low	98 Å²	98	82.3 Å²	82.3	52%	0.524	40%	0.404	S	S	.	.	H	α-helix	trans	-72.4	-42.1	-177.4	-94.8	-3.5	0	0	0	112.4	N268 Q273 L274 Q275	N268-N271 PolarHBondContact O-N 2.83Å; N271-Q273 VanDerWaalsContact C-N 3.28Å; N271-Q273 PolarHBondContact O-N 2.85Å; N271-L274 PolarHBondContact O-N 2.84Å; N271-Q275 WeakPolarHBondContact O-CB 3.27Å; N271-Q275 WeakPolarHBondContact O-CG 3.36Å; N271-Q275 PolarHBondContact O-N 2.98Å
272	D	51	Low	59.4	Low	101 Å²	101	85.3 Å²	85.3	54%	0.54	43%	0.427	S	S	.	.	H	α-helix	trans	-65.8	-33.8	178.6	-68.8	-19.6	0	0	0	111.3	Q276	D272-Q276 WeakPolarHBondContact O-CB 3.35Å; D272-Q276 WeakPolarHBondContact O-CG 3.45Å; D272-Q276 PolarHBondContact O-N 3.5Å; D272-Q276 PolarHBondContact O-NE2 2.86Å
273	Q	45.4	Very low	56.7	Low	89 Å²	89	89.5 Å²	89.5	42%	0.416	45%	0.446	S	S	.	.	H	α-helix	trans	-74.5	-37.1	175.2	-68.7	-165.1	-10.8	0	0	113.2	N271 Q276 Q277	N271-Q273 VanDerWaalsContact C-N 3.28Å; N271-Q273 PolarHBondContact O-N 2.85Å; Q273-Q276 PolarHBondContact O-N 2.68Å; Q273-Q277 WeakPolarHBondContact O-CB 3Å; Q273-Q277 WeakPolarHBondContact O-CG 3.01Å; Q273-Q277 PolarHBondContact O-N 2.85Å
274	L	47.7	Very low	53.8	Low	77 Å²	77	95.2 Å²	95.2	40%	0.403	48%	0.481	S	S	.	.	H	α-helix	trans	-68.6	-32.8	173.7	-84.8	165.9	0	0	0	112.7	I270 N271 Q278	I270-L274 HydrophobicContact CG2-CD1 3.99Å; I270-L274 PolarHBondContact O-N 3.05Å; N271-L274 PolarHBondContact O-N 2.84Å; L274-Q278 WeakPolarHBondContact O-CG 3.37Å; L274-Q278 PolarHBondContact O-N 2.86Å; L274-Q278 PolarHBondContact O-NE2 2.66Å
275	Q	47	Very low	51.1	Low	102 Å²	102	99.6 Å²	99.6	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-75.1	-40	172.1	-70.2	-176.3	42.1	0	0	111.7	N271 Q277 Q278 Q279	N271-Q275 WeakPolarHBondContact O-CB 3.27Å; N271-Q275 WeakPolarHBondContact O-CG 3.36Å; N271-Q275 PolarHBondContact O-N 2.98Å; Q275-Q277 PolarHBondContact O-N 3.47Å; Q275-Q278 PolarHBondContact O-N 2.98Å; Q275-Q279 WeakPolarHBondContact O-CG 3.18Å; Q275-Q279 PolarHBondContact O-N 3.36Å
276	Q	45.3	Very low	48.8	Very low	100 Å²	100	104.6 Å²	104.6	47%	0.467	55%	0.545	S	S	.	.	H	α-helix	trans	-64.6	-37.1	174.3	-76.1	168.8	47.8	0	0	112.3	D272 Q273 Q278 Q279 Q280	D272-Q276 WeakPolarHBondContact O-CB 3.35Å; D272-Q276 WeakPolarHBondContact O-CG 3.45Å; D272-Q276 PolarHBondContact O-N 3.5Å; D272-Q276 PolarHBondContact O-NE2 2.86Å; Q273-Q276 PolarHBondContact O-N 2.68Å; Q276-Q278 VanDerWaalsContact C-N 3.31Å; Q276-Q278 PolarHBondContact O-N 2.78Å; Q276-Q279 PolarHBondContact O-N 2.67Å; Q276-Q280 VanDerWaalsContact O-CB 3.28Å; Q276-Q280 WeakPolarHBondContact O-CB 3.04Å; Q276-Q280 WeakPolarHBondContact O-CG 3.33Å; Q276-Q280 PolarHBondContact O-N 2.89Å
277	Q	46.5	Very low	46.3	Very low	129 Å²	129	104.8 Å²	104.8	60%	0.603	56%	0.561	S	S	*	*	H	α-helix	trans	-67.5	-28.8	173.1	-76.3	-176.4	23.9	0	0	113.3	Q273 Q275	Q273-Q277 WeakPolarHBondContact O-CB 3Å; Q273-Q277 WeakPolarHBondContact O-CG 3.01Å; Q273-Q277 PolarHBondContact O-N 2.85Å; Q275-Q277 PolarHBondContact O-N 3.47Å
278	Q	44.9	Very low	43.9	Very low	143 Å²	143	110.3 Å²	110.3	67%	0.668	60%	0.6	S	S	*	*	H	α-helix	trans	-78.7	-30	172.8	-76.3	173.2	79.6	0	0	112.5	L274 Q275 Q276	L274-Q278 WeakPolarHBondContact O-CG 3.37Å; L274-Q278 PolarHBondContact O-N 2.86Å; L274-Q278 PolarHBondContact O-NE2 2.66Å; Q275-Q278 PolarHBondContact O-N 2.98Å; Q276-Q278 VanDerWaalsContact C-N 3.31Å; Q276-Q278 PolarHBondContact O-N 2.78Å
279	Q	41.3	Very low	42.5	Very low	130 Å²	130	113 Å²	113	61%	0.607	62%	0.62	S	S	*	*	H	α-helix	trans	-82.3	-33.5	176.8	-68.4	176.6	35.9	0	0	113	Q275 Q276 Q281 S282	Q275-Q279 WeakPolarHBondContact O-CG 3.18Å; Q275-Q279 PolarHBondContact O-N 3.36Å; Q276-Q279 PolarHBondContact O-N 2.67Å; Q279-Q281 PolarHBondContact O-N 2.84Å; Q279-S282 PolarHBondContact O-N 3.29Å; Q279-S282 PolarHBondContact O-OG 3.01Å
280	Q	42.7	Very low	41.5	Very low	146 Å²	146	112.5 Å²	112.5	68%	0.682	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	5	176.9	-71.1	-178.6	2.5	0	0	114.4	Q276 S282	Q276-Q280 VanDerWaalsContact O-CB 3.28Å; Q276-Q280 WeakPolarHBondContact O-CB 3.04Å; Q276-Q280 WeakPolarHBondContact O-CG 3.33Å; Q276-Q280 PolarHBondContact O-N 2.89Å; Q280-S282 PolarHBondContact O-N 3.03Å
281	Q	42.1	Very low	41.3	Very low	175 Å²	175	117.8 Å²	117.8	82%	0.818	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-4.1	161.6	-73.8	-176	27.8	0	0	112.7	Q279	Q279-Q281 PolarHBondContact O-N 2.84Å
282	S	36.9	Very low	40.9	Very low	78 Å²	78	120.5 Å²	120.5	55%	0.545	67%	0.674	S	S	.	*	S	Bend	trans	-108	132.6	160	59.5	0	0	0	0	110.5	Q279 Q280	Q279-S282 PolarHBondContact O-N 3.29Å; Q279-S282 PolarHBondContact O-OG 3.01Å; Q280-S282 PolarHBondContact O-N 3.03Å
283	L	35.2	Very low	40.5	Very low	152 Å²	152	120.3 Å²	120.3	80%	0.796	68%	0.68	S	S	*	*	S	Bend	trans	85.7	73.3	172.1	-56.7	144.6	0	0	0	118.4
284	T	30.4	Very low	40.8	Very low	123 Å²	123	119.8 Å²	119.8	76%	0.755	69%	0.687	S	S	*	*				51.7	129.7	126.5	55.1	0	0	0	0	123
285	S	33.3	Very low	41.9	Very low	109 Å²	109	118 Å²	118	76%	0.762	68%	0.68	S	S	*	*			trans	74.6	122	153.2	40.4	0	0	0	0	119.9
286	P	42.1	Very low	43	Very low	138 Å²	138	115 Å²	115	90%	0.896	67%	0.667	S	S	*	*			trans	-95.5	122.7	-179.2	35.3	-30.9	0	0	0	113
287	S	33.8	Very low	44.2	Very low	104 Å²	104	112.9 Å²	112.9	73%	0.727	66%	0.658	S	S	*	*			trans	-139.1	109.8	166.6	59.7	0	0	0	0	112
288	S	33.9	Very low	45.8	Very low	122 Å²	122	113.2 Å²	113.2	85%	0.853	66%	0.659	S	S	*	*			trans	48	72.8	161.5	65	0	0	0	0	118.5
289	T	36.4	Very low	47.6	Very low	138 Å²	138	111.5 Å²	111.5	85%	0.847	65%	0.647	S	S	*	*			trans	-96.1	119.9	151.3	45.4	0	0	0	0	110.1
290	S	34.2	Very low	49.9	Very low	95 Å²	95	105.8 Å²	105.8	66%	0.664	62%	0.62	S	S	*	*			trans	-59.6	137.4	174.1	-177.7	0	0	0	0	111	L292	S290-L292 PolarHBondContact O-N 2.84Å
291	P	49	Very low	52.2	Low	124 Å²	124	103.7 Å²	103.7	81%	0.805	61%	0.61	S	S	*	*	S	Bend	trans	-78	32.8	-170	33.4	-37.7	0	0	0	114.6	S293	P291-S293 PolarHBondContact O-N 2.8Å
292	L	40.5	Very low	54.7	Low	155 Å²	155	96.7 Å²	96.7	81%	0.812	58%	0.577	S	S	*	*			trans	-96	61.1	-179.3	-88.3	84.4	0	0	0	112.8	S290	S290-L292 PolarHBondContact O-N 2.84Å
293	S	42.7	Very low	57.4	Low	98 Å²	98	94 Å²	94	69%	0.685	56%	0.56	S	S	*	*			trans	-167	93.2	147.9	-178.4	0	0	0	0	109.8	P291 S295	P291-S293 PolarHBondContact O-N 2.8Å; S293-S295 PolarHBondContact O-N 2.9Å; S293-S295 VanDerWaalsContact O-N 3.13Å
294	S	51.9	Low	60.4	Low	78 Å²	78	86.8 Å²	86.8	55%	0.545	52%	0.522	S	S	.	.			trans	-63.5	113.5	158.1	44.7	0	0	0	0	107.5	I296	S294-I296 PolarHBondContact O-N 3.48Å
295	S	68.9	Low	63.6	Low	38 Å²	38	81 Å²	81	27%	0.266	49%	0.486	S	S	.	.			trans	-49.6	141.8	-177.2	177.2	0	0	0	0	110.7	S293 M297 H298 R299	S293-S295 PolarHBondContact O-N 2.9Å; S293-S295 VanDerWaalsContact O-N 3.13Å; S295-M297 PolarHBondContact O-N 2.71Å; S295-M297 VanDerWaalsContact O-N 3.08Å; S295-M297 PolarHBondContact OG-N 2.84Å; S295-H298 WeakPolarHBondContact O-CB 3.48Å; S295-H298 PolarHBondContact O-N 2.77Å; S295-R299 PolarHBondContact O-N 3.17Å
296	I	71.6	Confident	66.6	Low	40 Å²	40	75.8 Å²	75.8	21%	0.205	45%	0.45	C	S	.	.	H	α-helix	trans	-50.5	-37.2	177.7	-67.6	167.8	0	0	0	110.5	M265 S294 H298 R299 L300	M265-I296 HydrophobicContact CE-CG2 3.53Å; S294-I296 PolarHBondContact O-N 3.48Å; I296-H298 PolarHBondContact O-N 3.02Å; I296-R299 PolarHBondContact O-N 3.23Å; I296-R299 VanDerWaalsContact O-N 3.17Å; I296-L300 HydrophobicContact CG2-CD1 4.01Å; I296-L300 HydrophobicContact CG2-CG 4.46Å; I296-L300 PolarHBondContact O-N 3.22Å; I296-L300 VanDerWaalsContact O-N 3.13Å
297	M	70.3	Confident	69.2	Low	55 Å²	55	69.2 Å²	69.2	27%	0.271	41%	0.407	S	S	.	.	H	α-helix	trans	-57.3	-43.3	175.4	-166.1	-179.9	-172.1	0	0	112.9	L255 I270 S295 R299 L300 Q301 F365	L255-M297 HydrophobicContact CD2-CG 4.01Å; I270-M297 HydrophobicContact CD1-CB 4.09Å; I270-M297 HydrophobicContact CD1-CG 4.39Å; I270-M297 HydrophobicContact CG1-CB 4.47Å; I270-M297 HydrophobicContact CG2-SD 3.98Å; S295-M297 PolarHBondContact O-N 2.71Å; S295-M297 VanDerWaalsContact O-N 3.08Å; S295-M297 PolarHBondContact OG-N 2.84Å; M297-R299 VanDerWaalsContact C-N 3.3Å; M297-R299 PolarHBondContact O-N 3.12Å; M297-L300 CarbonylContact O-C 3.59Å; M297-L300 PolarHBondContact O-N 2.82Å; M297-Q301 WeakPolarHBondContact O-CB 3.27Å; M297-Q301 PolarHBondContact O-N 3.39Å; M297-F365 HydrophobicContact CE-CD1 4.29Å; M297-F365 HydrophobicContact CE-CE1 3.47Å; M297-F365 VanDerWaalsContact CE-CE1 3.47Å; M297-F365 HydrophobicContact CE-CZ 3.76Å
298	H	78.7	Confident	72.1	Confident	136 Å²	136	66.3 Å²	66.3	63%	0.63	38%	0.381	S	S	*	.	H	α-helix	trans	-68.3	-28.6	179.2	-174.3	-61	0	0	0	112.3	S295 I296	S295-H298 WeakPolarHBondContact O-CB 3.48Å; S295-H298 PolarHBondContact O-N 2.77Å; I296-H298 PolarHBondContact O-N 3.02Å
299	R	82.7	Confident	75	Confident	108 Å²	108	60.5 Å²	60.5	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-78.1	-26.9	176	-65.1	-168.6	-69.1	162	-0.4	113.1	D260 S295 I296 M297	D260-R299 HydrophobicContact CB-CB 4.18Å; S295-R299 PolarHBondContact O-N 3.17Å; I296-R299 PolarHBondContact O-N 3.23Å; I296-R299 VanDerWaalsContact O-N 3.17Å; M297-R299 VanDerWaalsContact C-N 3.3Å; M297-R299 PolarHBondContact O-N 3.12Å
300	L	90.3	Very high	77.6	Confident	9 Å²	9	57 Å²	57	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-97.6	-6.4	177.5	-60	-178	0	0	0	113.3	L255 A256 Y261 M265 L267 I296 M297 H302	L255-L300 CarbonylContact C-O 3.52Å; L255-L300 VanDerWaalsContact CA-O 3.27Å; L255-L300 WeakPolarHBondContact CA-O 3.38Å; L255-L300 HydrophobicContact CD2-CB 4.32Å; A256-L300 PolarHBondContact N-O 2.87Å; Y261-L300 HydrophobicContact CD2-CD1 4.24Å; Y261-L300 HydrophobicContact CD2-CD2 4.19Å; Y261-L300 HydrophobicContact CG-CD2 4.5Å; M265-L300 HydrophobicContact CE-CD1 4.22Å; L267-L300 HydrophobicContact CD2-CD1 3.53Å; I296-L300 HydrophobicContact CG2-CD1 4.01Å; I296-L300 HydrophobicContact CG2-CG 4.46Å; I296-L300 PolarHBondContact O-N 3.22Å; I296-L300 VanDerWaalsContact O-N 3.13Å; M297-L300 CarbonylContact O-C 3.59Å; M297-L300 PolarHBondContact O-N 2.82Å; L300-H302 PolarHBondContact O-N 2.85Å
301	Q	91.4	Very high	80.3	Confident	103 Å²	103	58 Å²	58	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127	180	-177.6	173.1	-10	0	0	110.3	G254 M297 F365	G254-Q301 WeakPolarHBondContact O-CA 3.47Å; M297-Q301 WeakPolarHBondContact O-CB 3.27Å; M297-Q301 PolarHBondContact O-N 3.39Å; Q301-F365 HydrophobicContact CG-CZ 4.46Å
302	H	93.9	Very high	82.4	Confident	27 Å²	27	55.9 Å²	55.9	13%	0.125	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	168	-179	-169.1	36.8	0	0	0	110.6	G254 A256 L300 D317 W320 H362	G254-H302 PolarHBondContact N-O 2.8Å; G254-H302 PolarHBondContact O-N 2.68Å; G254-H302 VanDerWaalsContact O-O 3.09Å; A256-H302 HydrophobicContact CB-CB 3.59Å; L300-H302 PolarHBondContact O-N 2.85Å; H302-D317 IonicContact CD2-OD2 2.79Å; H302-D317 IonicContact CE1-OD2 3.31Å; H302-D317 IonicContact NE2-OD1 2.71Å; H302-D317 IonicContact NE2-OD2 2.68Å; H302-D317 PolarHBondContact NE2-OD2 3.01Å; H302-W320 AromaticContact CD2-NE1 3.65Å; H302-W320 AromaticContact CE1-NE1 3.69Å; H302-W320 AromaticContact NE2-CD1 3.52Å; H302-W320 AromaticContact NE2-CE2 3.98Å; H302-W320 AromaticContact NE2-NE1 3.17Å; H302-W320 PolarHBondContact NE2-NE1 2.95Å; H302-W320 VanDerWaalsContact NE2-NE1 3.17Å; H302-H362 AromaticContact CD2-CD2 3.86Å; H302-H362 AromaticContact CD2-NE2 3.73Å
303	A	94.6	Very high	85.1	Confident	22 Å²	22	49.4 Å²	49.4	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.2	174.9	0	0	0	0	0	110.9	L235 T251 V252	L235-A303 HydrophobicContact CD1-CB 4.17Å; L235-A303 HydrophobicContact CD2-CB 3.93Å; T251-A303 HydrophobicContact CG2-CB 4.2Å; V252-A303 VanDerWaalsContact O-CA 3.23Å; V252-A303 WeakPolarHBondContact O-CA 3.27Å; V252-A303 WeakPolarHBondContact O-CB 3.48Å
304	W	97	Very high	87.6	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	173.3	178.7	59.4	92	0	0	0	109	L235 V252 F316 D317 F358 H362 P364	L235-W304 VanDerWaalsContact CD1-C 3.42Å; L235-W304 WeakPolarHBondContact CD1-O 3.32Å; V252-W304 HydrophobicContact CB-CD2 4.35Å; V252-W304 HydrophobicContact CB-CG 4.37Å; V252-W304 HydrophobicContact CB-CZ2 4.49Å; V252-W304 HydrophobicContact CG1-CD2 4.4Å; V252-W304 HydrophobicContact CG1-CZ2 3.69Å; V252-W304 PolarHBondContact N-O 2.91Å; V252-W304 PolarHBondContact O-N 3.2Å; W304-F316 WeakPolarHBondContact CB-O 3.43Å; W304-D317 HydrophobicContact CB-CB 4.2Å; W304-F358 HydrophobicContact CB-CZ 4.37Å; W304-F358 AromaticContact CD1-CE1 3.75Å; W304-F358 HydrophobicContact CD2-CE1 4.02Å; W304-F358 HydrophobicContact CD2-CZ 4.16Å; W304-F358 AromaticContact CE2-CE1 3.71Å; W304-F358 HydrophobicContact CG-CE1 4.02Å; W304-F358 AromaticContact CG-CZ 3.95Å; W304-F358 HydrophobicContact CG-CZ 3.95Å; W304-F358 HydrophobicContact CZ2-CE1 4.22Å; W304-F358 AromaticContact NE1-CE1 3.57Å; W304-H362 HydrophobicContact CE3-CB 4.45Å; W304-H362 AromaticContact CE3-CD2 3.66Å; W304-H362 HydrophobicContact CH2-CB 3.91Å; W304-H362 HydrophobicContact CZ2-CB 4.18Å; W304-H362 HydrophobicContact CZ3-CB 4.07Å; W304-H362 AromaticContact CZ3-CD2 3.89Å; W304-P364 HydrophobicContact CH2-CB 4.13Å; W304-P364 HydrophobicContact CZ2-CB 3.75Å; W304-P364 HydrophobicContact CZ2-CG 4.26Å
305	N	97.4	Very high	89.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	151.7	179.3	-63.4	106	0	0	0	111.4	L235 F238 V250 F316	L235-N305 WeakPolarHBondContact CD1-OD1 3.42Å; L235-N305 PolarHBondContact O-ND2 3.41Å; L235-N305 PolarHBondContact O-OD1 3.34Å; F238-N305 HydrophobicContact CD1-CB 3.62Å; F238-N305 WeakPolarHBondContact CD1-OD1 3.3Å; F238-N305 HydrophobicContact CE1-CB 3.88Å; V250-N305 WeakPolarHBondContact O-CA 3.41Å; N305-F316 HydrophobicContact CB-CB 4.36Å; N305-F316 PolarHBondContact N-O 2.83Å; N305-F316 PolarHBondContact O-N 3Å
306	A	97.2	Very high	91.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.6	157.2	0	0	0	0	0	108.7	C249 V250 V252 W313 A314 L315 W369	C249-A306 CarbonylContact C-O 3.36Å; C249-A306 VanDerWaalsContact CA-O 3.3Å; C249-A306 WeakPolarHBondContact CA-O 3.46Å; C249-A306 PolarHBondContact SG-O 2.92Å; V250-A306 HydrophobicContact CG2-CB 4.14Å; V250-A306 PolarHBondContact N-O 2.72Å; V250-A306 PolarHBondContact O-N 3.26Å; V252-A306 HydrophobicContact CG2-CB 3.93Å; A306-W313 HydrophobicContact CB-CE3 3.92Å; A306-W313 HydrophobicContact CB-CZ3 4.28Å; A306-W313 WeakPolarHBondContact O-CZ3 3.39Å; A306-A314 CarbonylContact C-O 3.17Å; A306-A314 WeakPolarHBondContact CA-O 3.38Å; A306-L315 HydrophobicContact CB-CD2 4.04Å; A306-W369 HydrophobicContact CB-CE3 3.95Å; A306-W369 HydrophobicContact CB-CH2 3.54Å; A306-W369 HydrophobicContact CB-CZ2 4.48Å; A306-W369 HydrophobicContact CB-CZ3 3.23Å
307	A	96.7	Very high	92.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.3	176.1	0	0	0	0	0	111.3	I247 P248 C249 L309 W313 A314 F316	I247-A307 HydrophobicContact CG2-CB 4.46Å; P248-A307 CarbonylContact O-C 3.44Å; P248-A307 VanDerWaalsContact O-CA 3.25Å; P248-A307 WeakPolarHBondContact O-CA 3.38Å; C249-A307 HydrophobicContact CB-CB 4.28Å; A307-L309 HydrophobicContact CB-CD2 4.13Å; A307-W313 CarbonylContact O-C 3.57Å; A307-A314 PolarHBondContact N-O 2.82Å; A307-A314 PolarHBondContact O-N 3.17Å; A307-F316 HydrophobicContact CB-CD2 4.06Å; A307-F316 HydrophobicContact CB-CE2 3.74Å
308	Y	95.8	Very high	93.4	Very high	44 Å²	44	35 Å²	35	17%	0.173	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	107.2	179.4	-169.4	-94	0	0	0	110.1	P106 P248 N311 K312 W313	P106-Y308 HydrophobicContact CB-CD2 4.03Å; P106-Y308 HydrophobicContact CB-CE1 4.44Å; P106-Y308 HydrophobicContact CB-CE2 3.72Å; P106-Y308 HydrophobicContact CB-CG 4.49Å; P106-Y308 HydrophobicContact CG-CD1 3.78Å; P106-Y308 HydrophobicContact CG-CD2 3.87Å; P106-Y308 HydrophobicContact CG-CE1 3.72Å; P106-Y308 HydrophobicContact CG-CE2 3.82Å; P106-Y308 HydrophobicContact CG-CG 3.83Å; P248-Y308 PolarHBondContact O-N 3.16Å; Y308-N311 WeakPolarHBondContact OH-CA 3.47Å; Y308-K312 CarbonylContact C-O 3.53Å; Y308-K312 WeakPolarHBondContact CA-O 3.31Å; Y308-W313 AromaticContact CD2-CD1 3.72Å; Y308-W313 AromaticContact CD2-CD2 3.99Å; Y308-W313 HydrophobicContact CD2-CD2 3.99Å; Y308-W313 AromaticContact CD2-CE2 3.79Å; Y308-W313 AromaticContact CD2-CG 3.94Å; Y308-W313 HydrophobicContact CD2-CG 3.94Å; Y308-W313 HydrophobicContact CD2-CZ2 4.41Å; Y308-W313 AromaticContact CD2-NE1 3.62Å
309	L	93.9	Very high	94	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.9	-176	-47.1	-176.3	0	0	0	109.5	D166 E167 V170 I247 A307 N311 K312 A314 F316	D166-L309 HydrophobicContact CB-CB 4.16Å; D166-L309 HydrophobicContact CB-CD2 4.06Å; E167-L309 HydrophobicContact CG-CD1 4.3Å; V170-L309 HydrophobicContact CB-CD1 4.33Å; V170-L309 HydrophobicContact CB-CD2 4.06Å; V170-L309 HydrophobicContact CG1-CD1 4.48Å; V170-L309 HydrophobicContact CG1-CD2 4.47Å; V170-L309 HydrophobicContact CG2-CD2 3.51Å; I247-L309 HydrophobicContact CG2-CD2 3.75Å; A307-L309 HydrophobicContact CB-CD2 4.13Å; L309-N311 PolarHBondContact O-N 3.17Å; L309-K312 PolarHBondContact N-O 3.32Å; L309-K312 WeakPolarHBondContact O-CG 3.5Å; L309-K312 PolarHBondContact O-N 2.9Å; L309-K312 VanDerWaalsContact O-O 3.06Å; L309-A314 HydrophobicContact CD1-CB 4.15Å; L309-A314 HydrophobicContact CG-CB 4.38Å; L309-F316 HydrophobicContact CD1-CE2 4.25Å; L309-F316 HydrophobicContact CD1-CZ 3.61Å
310	D	91.8	Very high	94.4	Very high	65 Å²	65	28.7 Å²	28.7	35%	0.348	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	43	166.3	-56.5	-44.8	0	0	0	113.7	D166 E167	D166-D310 PolarHBondContact N-OD1 2.84Å; D166-D310 PolarHBondContact N-OD2 2.86Å; E167-D310 WeakPolarHBondContact CB-OD2 3.4Å; E167-D310 PolarHBondContact N-OD2 2.87Å
311	N	90.6	Very high	94.5	Very high	114 Å²	114	28.3 Å²	28.3	61%	0.61	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	20.1	-177.5	-58.9	-61.4	0	0	0	118.7	K112 Y308 L309	K112-N311 PolarHBondContact NZ-O 2.87Å; Y308-N311 WeakPolarHBondContact OH-CA 3.47Å; L309-N311 PolarHBondContact O-N 3.17Å
312	K	93	Very high	94.2	Very high	81 Å²	81	23.8 Å²	23.8	35%	0.352	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.1	172.2	55.4	174.8	-180	-179.7	0	111.8	E167 Y308 L309	E167-K312 IonicContact OE2-NZ 2.77Å; Y308-K312 CarbonylContact C-O 3.53Å; Y308-K312 WeakPolarHBondContact CA-O 3.31Å; L309-K312 PolarHBondContact N-O 3.32Å; L309-K312 WeakPolarHBondContact O-CG 3.5Å; L309-K312 PolarHBondContact O-N 2.9Å; L309-K312 VanDerWaalsContact O-O 3.06Å
313	W	95.9	Very high	93	Very high	18 Å²	18	27.5 Å²	27.5	7%	0.068	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	146	162.1	-76.3	101.8	0	0	0	109.7	I104 P106 L108 P248 V250 A306 A307 Y308 W369 M371	I104-W313 HydrophobicContact CG2-CH2 4.09Å; I104-W313 HydrophobicContact CG2-CZ2 3.68Å; P106-W313 VanDerWaalsContact O-CZ2 3.25Å; P106-W313 WeakPolarHBondContact O-CZ2 3.34Å; P106-W313 PolarHBondContact O-NE1 3.2Å; L108-W313 HydrophobicContact CD1-CD2 4.28Å; L108-W313 HydrophobicContact CD1-CG 4.02Å; P248-W313 HydrophobicContact CB-CH2 4.15Å; V250-W313 HydrophobicContact CG1-CH2 4.34Å; V250-W313 HydrophobicContact CG2-CH2 4.09Å; V250-W313 HydrophobicContact CG2-CZ3 3.9Å; A306-W313 HydrophobicContact CB-CE3 3.92Å; A306-W313 HydrophobicContact CB-CZ3 4.28Å; A306-W313 WeakPolarHBondContact O-CZ3 3.39Å; A307-W313 CarbonylContact O-C 3.57Å; Y308-W313 AromaticContact CD2-CD1 3.72Å; Y308-W313 AromaticContact CD2-CD2 3.99Å; Y308-W313 HydrophobicContact CD2-CD2 3.99Å; Y308-W313 AromaticContact CD2-CE2 3.79Å; Y308-W313 AromaticContact CD2-CG 3.94Å; Y308-W313 HydrophobicContact CD2-CG 3.94Å; Y308-W313 HydrophobicContact CD2-CZ2 4.41Å; Y308-W313 AromaticContact CD2-NE1 3.62Å; W313-W369 HydrophobicContact CD2-CH2 4.08Å; W313-W369 HydrophobicContact CD2-CZ3 4.28Å; W313-W369 AromaticContact CE3-CH2 3.96Å; W313-W369 HydrophobicContact CE3-CH2 3.96Å; W313-W369 HydrophobicContact CE3-CZ3 4.23Å; W313-W369 HydrophobicContact CG-CZ3 4.45Å; W313-W369 HydrophobicContact CZ3-CH2 4.24Å; W313-M371 HydrophobicContact CB-CE 4.16Å; W313-M371 HydrophobicContact CB-SD 4.28Å; W313-M371 WeakPolarHBondContact O-CE 3.44Å
314	A	95.7	Very high	91.5	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.5	179	0	0	0	0	0	109.8	A306 A307 L309 F316 N352	A306-A314 CarbonylContact C-O 3.17Å; A306-A314 WeakPolarHBondContact CA-O 3.38Å; A307-A314 PolarHBondContact N-O 2.82Å; A307-A314 PolarHBondContact O-N 3.17Å; L309-A314 HydrophobicContact CD1-CB 4.15Å; L309-A314 HydrophobicContact CG-CB 4.38Å; A314-F316 VanDerWaalsContact C-CE2 3.48Å; A314-F316 HydrophobicContact CB-CE2 3.51Å; A314-F316 HydrophobicContact CB-CZ 3.67Å; A314-F316 WeakPolarHBondContact O-CD2 3.47Å; A314-F316 VanDerWaalsContact O-CE2 3.26Å; A314-F316 WeakPolarHBondContact O-CE2 3.48Å; A314-N352 WeakPolarHBondContact CB-OD1 3.31Å
315	L	97.3	Very high	89.4	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.7	-174.1	-63.5	174.7	0	0	0	111.7	A306 N352 V353 P355 F358 M371	A306-L315 HydrophobicContact CB-CD2 4.04Å; L315-N352 VanDerWaalsContact O-CA 3.26Å; L315-N352 WeakPolarHBondContact O-CA 3.35Å; L315-N352 PolarHBondContact O-N 3.47Å; L315-V353 HydrophobicContact CB-CG1 3.67Å; L315-V353 PolarHBondContact O-N 3.29Å; L315-P355 HydrophobicContact CD1-CB 3.89Å; L315-P355 HydrophobicContact CD1-CG 3.93Å; L315-F358 HydrophobicContact CD1-CD1 3.83Å; L315-F358 HydrophobicContact CD1-CE1 4.35Å; L315-M371 HydrophobicContact CD1-SD 4.27Å; L315-M371 HydrophobicContact CD2-SD 4.04Å; L315-M371 HydrophobicContact CG-SD 3.99Å
316	F	97.4	Very high	87.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	126.2	-174.3	-59.2	-86.2	0	0	0	111.7	V170 F174 F238 W304 N305 A307 L309 A314 P318 Y350 F351 N352	V170-F316 HydrophobicContact CG1-CE1 4.01Å; V170-F316 HydrophobicContact CG1-CZ 4.15Å; F174-F316 HydrophobicContact CD2-CB 4.49Å; F174-F316 HydrophobicContact CD2-CD1 4.08Å; F174-F316 HydrophobicContact CE2-CB 4.03Å; F174-F316 HydrophobicContact CE2-CD1 4.13Å; F238-F316 HydrophobicContact CD1-CB 4.49Å; F238-F316 HydrophobicContact CE1-CB 3.77Å; F238-F316 HydrophobicContact CE1-CD1 4.42Å; F238-F316 HydrophobicContact CE1-CD2 4.01Å; F238-F316 AromaticContact CE1-CG 3.79Å; F238-F316 HydrophobicContact CE1-CG 3.79Å; F238-F316 HydrophobicContact CZ-CB 4.14Å; F238-F316 AromaticContact CZ-CD1 3.99Å; F238-F316 HydrophobicContact CZ-CD1 3.99Å; F238-F316 HydrophobicContact CZ-CD2 4.19Å; F238-F316 AromaticContact CZ-CG 3.81Å; F238-F316 HydrophobicContact CZ-CG 3.81Å; W304-F316 WeakPolarHBondContact CB-O 3.43Å; N305-F316 HydrophobicContact CB-CB 4.36Å; N305-F316 PolarHBondContact N-O 2.83Å; N305-F316 PolarHBondContact O-N 3Å; A307-F316 HydrophobicContact CB-CD2 4.06Å; A307-F316 HydrophobicContact CB-CE2 3.74Å; L309-F316 HydrophobicContact CD1-CE2 4.25Å; L309-F316 HydrophobicContact CD1-CZ 3.61Å; A314-F316 VanDerWaalsContact C-CE2 3.48Å; A314-F316 HydrophobicContact CB-CE2 3.51Å; A314-F316 HydrophobicContact CB-CZ 3.67Å; A314-F316 WeakPolarHBondContact O-CD2 3.47Å; A314-F316 VanDerWaalsContact O-CE2 3.26Å; A314-F316 WeakPolarHBondContact O-CE2 3.48Å; F316-P318 WeakPolarHBondContact O-CD 3.43Å; F316-Y350 WeakPolarHBondContact CA-O 3.3Å; F316-F351 AromaticContact CD1-CD2 3.91Å; F316-F351 HydrophobicContact CD1-CD2 3.91Å; F316-F351 HydrophobicContact CD1-CE2 4.33Å; F316-F351 AromaticContact CE1-CD2 3.58Å; F316-F351 HydrophobicContact CE1-CD2 3.58Å; F316-F351 AromaticContact CE1-CE2 3.6Å; F316-F351 HydrophobicContact CE1-CE2 3.6Å; F316-F351 HydrophobicContact CE1-CG 4.23Å; F316-F351 HydrophobicContact CE1-CZ 4.28Å; F316-N352 HydrophobicContact CE1-CB 3.87Å; F316-N352 HydrophobicContact CZ-CB 3.96Å
317	D	96.2	Very high	84.6	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.172	C	C	.	.			trans	-114.1	93.5	164.5	-166.7	-34.4	0	0	0	110.7	H302 W304 M319 W320 A321 Y350 F358 H362	H302-D317 IonicContact CD2-OD2 2.79Å; H302-D317 IonicContact CE1-OD2 3.31Å; H302-D317 IonicContact NE2-OD1 2.71Å; H302-D317 IonicContact NE2-OD2 2.68Å; H302-D317 PolarHBondContact NE2-OD2 3.01Å; W304-D317 HydrophobicContact CB-CB 4.2Å; D317-M319 VanDerWaalsContact C-N 3.26Å; D317-M319 PolarHBondContact O-N 3.16Å; D317-M319 WeakPolarHBondContact OD1-CA 3.23Å; D317-M319 WeakPolarHBondContact OD1-CB 3.26Å; D317-M319 PolarHBondContact OD1-N 3.01Å; D317-W320 HydrophobicContact CB-CB 4.2Å; D317-W320 PolarHBondContact OD1-N 2.81Å; D317-W320 VanDerWaalsContact OD2-CD1 3.3Å; D317-A321 VanDerWaalsContact O-CB 3.3Å; D317-A321 WeakPolarHBondContact O-CB 3.33Å; D317-A321 PolarHBondContact O-N 2.9Å; D317-Y350 HydrophobicContact CB-CD1 4.33Å; D317-Y350 HydrophobicContact CB-CG 4.32Å; D317-Y350 PolarHBondContact N-O 2.99Å; D317-Y350 WeakPolarHBondContact O-CB 3.28Å; D317-F358 HydrophobicContact CB-CE2 4.49Å; D317-F358 HydrophobicContact CB-CZ 4.49Å; D317-H362 IonicContact OD2-NE2 3.87Å; D317-H362 PolarHBondContact OD2-NE2 2.93Å
318	P	94.5	Very high	82.1	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.013	18%	0.18	C	C	.	.	H	α-helix	trans	-70	-21.8	178.6	29.5	-35.3	0	0	0	112.8	F174 L177 F238 F316 A322	F174-P318 HydrophobicContact CD2-CB 4.3Å; F174-P318 HydrophobicContact CE2-CB 3.8Å; F174-P318 HydrophobicContact CZ-CB 4.48Å; L177-P318 HydrophobicContact CD2-CB 3.88Å; F238-P318 HydrophobicContact CB-CB 4.27Å; F238-P318 HydrophobicContact CB-CG 3.9Å; F238-P318 HydrophobicContact CG-CG 4.32Å; F316-P318 WeakPolarHBondContact O-CD 3.43Å; P318-A322 WeakPolarHBondContact O-CB 3.29Å; P318-A322 PolarHBondContact O-N 3.33Å
319	M	91	Very high	79.9	Confident	55 Å²	55	36 Å²	36	27%	0.271	19%	0.188	S	C	.	.	H	α-helix	trans	-74.3	-49	178	-173.1	-176.6	-62	0	0	110.6	Y234 D317 A321 A322 Q323	Y234-M319 HydrophobicContact CD2-CG 4.43Å; D317-M319 VanDerWaalsContact C-N 3.26Å; D317-M319 PolarHBondContact O-N 3.16Å; D317-M319 WeakPolarHBondContact OD1-CA 3.23Å; D317-M319 WeakPolarHBondContact OD1-CB 3.26Å; D317-M319 PolarHBondContact OD1-N 3.01Å; M319-A321 VanDerWaalsContact C-N 3.33Å; M319-A322 PolarHBondContact O-N 2.87Å; M319-Q323 WeakPolarHBondContact O-CB 3.28Å; M319-Q323 WeakPolarHBondContact O-CG 3.3Å; M319-Q323 PolarHBondContact O-N 2.92Å
320	W	91.6	Very high	77.5	Confident	56 Å²	56	41 Å²	41	21%	0.212	21%	0.214	C	C	.	.	H	α-helix	trans	-71.9	-27.3	178.4	-72.4	37.1	0	0	0	111.9	A256 H302 D317 Y350 H362	A256-W320 HydrophobicContact CB-CH2 3.95Å; A256-W320 HydrophobicContact CB-CZ2 3.56Å; H302-W320 AromaticContact CD2-NE1 3.65Å; H302-W320 AromaticContact CE1-NE1 3.69Å; H302-W320 AromaticContact NE2-CD1 3.52Å; H302-W320 AromaticContact NE2-CE2 3.98Å; H302-W320 AromaticContact NE2-NE1 3.17Å; H302-W320 PolarHBondContact NE2-NE1 2.95Å; H302-W320 VanDerWaalsContact NE2-NE1 3.17Å; D317-W320 HydrophobicContact CB-CB 4.2Å; D317-W320 PolarHBondContact OD1-N 2.81Å; D317-W320 VanDerWaalsContact OD2-CD1 3.3Å; W320-Y350 HydrophobicContact CB-CD1 4.24Å; W320-Y350 HydrophobicContact CB-CD2 3.78Å; W320-Y350 HydrophobicContact CB-CE1 4.24Å; W320-Y350 HydrophobicContact CB-CE2 3.78Å; W320-Y350 HydrophobicContact CB-CG 4.02Å; W320-Y350 HydrophobicContact CD2-CE1 4.49Å; W320-Y350 AromaticContact CE3-CE1 3.65Å; W320-Y350 HydrophobicContact CE3-CE1 3.65Å; W320-Y350 HydrophobicContact CE3-CE2 4.48Å; W320-Y350 AromaticContact CE3-CZ 3.62Å; W320-Y350 HydrophobicContact CZ3-CE1 4.4Å; W320-H362 AromaticContact CD2-CE1 3.85Å; W320-H362 AromaticContact CD2-NE2 3.82Å; W320-H362 AromaticContact CE2-NE2 3.78Å; W320-H362 AromaticContact CE3-CE1 3.45Å; W320-H362 VanDerWaalsContact CE3-CE1 3.45Å; W320-H362 AromaticContact CE3-NE2 3.9Å; W320-H362 AromaticContact CH2-CE1 3.69Å; W320-H362 AromaticContact CH2-NE2 3.95Å; W320-H362 AromaticContact CZ2-NE2 3.87Å; W320-H362 AromaticContact CZ3-CE1 3.36Å; W320-H362 WeakPolarHBondContact CZ3-CE1 3.21Å; W320-H362 AromaticContact CZ3-NE2 3.97Å
321	A	91	Very high	75.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.9	-46.2	169.4	0	0	0	0	0	113.2	F174 C178 D317 M319 T346 D347	F174-A321 HydrophobicContact CE1-CB 3.49Å; F174-A321 VanDerWaalsContact CE1-CB 3.49Å; F174-A321 HydrophobicContact CZ-CB 3.38Å; C178-A321 HydrophobicContact CB-CB 4.27Å; D317-A321 VanDerWaalsContact O-CB 3.3Å; D317-A321 WeakPolarHBondContact O-CB 3.33Å; D317-A321 PolarHBondContact O-N 2.9Å; M319-A321 VanDerWaalsContact C-N 3.33Å; A321-T346 WeakPolarHBondContact O-CA 3.34Å; A321-D347 WeakPolarHBondContact CB-O 3.35Å; A321-D347 PolarHBondContact O-N 3.27Å
322	A	85.2	Confident	73.3	Confident	8 Å²	8	41.1 Å²	41.1	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-73.2	-33.1	-176.2	0	0	0	0	0	113.5	C178 Y234 P318 M319	C178-A322 HydrophobicContact CB-CB 3.93Å; Y234-A322 HydrophobicContact CD1-CB 3.97Å; Y234-A322 HydrophobicContact CE1-CB 3.41Å; Y234-A322 VanDerWaalsContact CE1-CB 3.41Å; Y234-A322 HydrophobicContact CE2-CB 4.3Å; P318-A322 WeakPolarHBondContact O-CB 3.29Å; P318-A322 PolarHBondContact O-N 3.33Å; M319-A322 PolarHBondContact O-N 2.87Å
323	Q	70.4	Confident	71.2	Confident	105 Å²	105	43.4 Å²	43.4	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	15.4	-171.2	-62.7	-169.7	-3.9	0	0	114.9	M319 L325	M319-Q323 WeakPolarHBondContact O-CB 3.28Å; M319-Q323 WeakPolarHBondContact O-CG 3.3Å; M319-Q323 PolarHBondContact O-N 2.92Å; Q323-L325 PolarHBondContact O-N 2.8Å
324	R	62.1	Low	68.9	Low	67 Å²	67	45.6 Å²	45.6	25%	0.253	24%	0.238	S	C	.	.			trans	-70.2	106.7	170.1	175.2	175.7	164.6	-171.2	-19.2	110	A326 Y344 E345 D347	R324-A326 PolarHBondContact O-N 2.92Å; R324-Y344 WeakPolarHBondContact O-CA 3.44Å; R324-E345 HydrophobicContact CB-CG 4.46Å; R324-E345 WeakPolarHBondContact CB-O 3.28Å; R324-E345 HydrophobicContact CG-CG 3.86Å; R324-E345 IonicContact CZ-OE1 2.76Å; R324-E345 IonicContact CZ-OE2 3.96Å; R324-E345 IonicContact NE-OE1 3.57Å; R324-E345 PolarHBondContact NE-OE1 2.78Å; R324-E345 IonicContact NH2-OE1 2.75Å; R324-E345 PolarHBondContact NH2-OE1 3.14Å; R324-E345 IonicContact NH2-OE2 3.4Å; R324-E345 PolarHBondContact NH2-OE2 2.83Å; R324-E345 PolarHBondContact O-N 3.43Å; R324-D347 HydrophobicContact CB-CB 4.1Å; R324-D347 VanDerWaalsContact CD-OD2 3.23Å; R324-D347 WeakPolarHBondContact CD-OD2 3.34Å; R324-D347 IonicContact CZ-OD2 2.73Å; R324-D347 IonicContact NE-OD2 2.68Å; R324-D347 IonicContact NH1-OD1 3.23Å; R324-D347 PolarHBondContact NH1-OD1 2.82Å; R324-D347 IonicContact NH1-OD2 3.63Å; R324-D347 PolarHBondContact NH1-OD2 2.93Å
325	L	52.9	Low	66.6	Low	56 Å²	56	48.6 Å²	48.6	29%	0.293	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-59.8	128.3	163.9	-68.3	166.7	0	0	0	109.1	Q323 V327 M342 Y344	Q323-L325 PolarHBondContact O-N 2.8Å; L325-V327 PolarHBondContact O-N 3.09Å; L325-M342 HydrophobicContact CD2-CB 3.79Å; L325-M342 HydrophobicContact CD2-CG 4.01Å; L325-M342 HydrophobicContact CD2-SD 3.69Å; L325-Y344 HydrophobicContact CD2-CD1 3.91Å; L325-Y344 HydrophobicContact CD2-CE1 3.37Å; L325-Y344 HydrophobicContact CD2-CE2 4.26Å; L325-Y344 HydrophobicContact CG-CD1 4.29Å; L325-Y344 HydrophobicContact CG-CE1 3.81Å
326	A	49.7	Very low	64.2	Low	31 Å²	31	52.7 Å²	52.7	26%	0.256	27%	0.273	S	S	.	.	S	Bend	trans	-75.2	31.8	178.3	0	0	0	0	0	113	R324 D343 E345	R324-A326 PolarHBondContact O-N 2.92Å; A326-D343 HydrophobicContact CB-CB 4.05Å; A326-D343 VanDerWaalsContact CB-O 3.28Å; A326-D343 WeakPolarHBondContact CB-O 3.43Å; A326-D343 PolarHBondContact N-O 2.8Å; A326-E345 WeakPolarHBondContact CA-OE1 3.26Å; A326-E345 HydrophobicContact CB-CB 4.04Å; A326-E345 HydrophobicContact CB-CG 3.83Å
327	V	44.6	Very low	62	Low	26 Å²	26	58.4 Å²	58.4	16%	0.158	31%	0.308	C	S	.	.	S	Bend	trans	-140.1	121.5	-167.8	-170.6	0	0	0	0	110.8	L325 T331	L325-V327 PolarHBondContact O-N 3.09Å; V327-T331 VanDerWaalsContact CG1-C 3.48Å; V327-T331 HydrophobicContact CG1-CG2 3.96Å
328	S	43.7	Very low	59.6	Low	24 Å²	24	65.9 Å²	65.9	17%	0.168	34%	0.343	C	S	.	.			trans	-63	155.4	175.3	83.1	0	0	0	0	112.3	N330 T331 R332 F487	S328-N330 PolarHBondContact O-N 3.04Å; S328-T331 PolarHBondContact O-N 2.75Å; S328-T331 PolarHBondContact OG-OG1 3.27Å; S328-T331 VanDerWaalsContact OG-OG1 3.09Å; S328-R332 PolarHBondContact O-N 3.31Å; S328-R332 VanDerWaalsContact O-N 3.08Å; S328-F487 WeakPolarHBondContact CB-O 3.32Å
329	A	48.9	Very low	57.3	Low	42 Å²	42	69.8 Å²	69.8	35%	0.347	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.9	-175.7	0	0	0	0	0	115.1	R332	A329-R332 WeakPolarHBondContact O-CB 3.45Å
330	N	43.4	Very low	55.3	Low	104 Å²	104	70.3 Å²	70.3	56%	0.556	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-29.4	-179.9	-66.4	-11	0	0	0	112.5	S328 R332 N431	S328-N330 PolarHBondContact O-N 3.04Å; N330-R332 VanDerWaalsContact C-N 3.35Å; N330-N431 PolarHBondContact OD1-ND2 3.44Å
331	T	46.5	Very low	53.2	Low	29 Å²	29	75 Å²	75	18%	0.178	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-14.8	177.8	-44.1	0	0	0	0	112.4	V327 S328 L333 S334 Q335 L486	V327-T331 VanDerWaalsContact CG1-C 3.48Å; V327-T331 HydrophobicContact CG1-CG2 3.96Å; S328-T331 PolarHBondContact O-N 2.75Å; S328-T331 PolarHBondContact OG-OG1 3.27Å; S328-T331 VanDerWaalsContact OG-OG1 3.09Å; T331-L333 PolarHBondContact O-N 2.82Å; T331-S334 PolarHBondContact O-N 2.78Å; T331-S334 VanDerWaalsContact O-N 3.16Å; T331-S334 PolarHBondContact O-OG 2.67Å; T331-Q335 HydrophobicContact CG2-CG 4Å; T331-Q335 VanDerWaalsContact CG2-OE1 3.3Å; T331-Q335 PolarHBondContact O-N 2.62Å; T331-L486 HydrophobicContact CG2-CD2 4.25Å
332	R	48.9	Very low	51.2	Low	153 Å²	153	79.4 Å²	79.4	58%	0.577	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-32.1	175.3	-75.6	-179.7	-173.8	171.9	3.4	114.2	S328 A329 N330 L336	S328-R332 PolarHBondContact O-N 3.31Å; S328-R332 VanDerWaalsContact O-N 3.08Å; A329-R332 WeakPolarHBondContact O-CB 3.45Å; N330-R332 VanDerWaalsContact C-N 3.35Å; R332-L336 VanDerWaalsContact O-CB 3.3Å; R332-L336 WeakPolarHBondContact O-CB 3.32Å
333	L	47.6	Very low	49.6	Very low	130 Å²	130	84 Å²	84	68%	0.681	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-36.4	-176.7	-166.4	66	0	0	0	112.9	T331 V337	T331-L333 PolarHBondContact O-N 2.82Å; L333-V337 WeakPolarHBondContact O-CG2 3.5Å
334	S	47.8	Very low	49.2	Very low	64 Å²	64	82.8 Å²	82.8	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-78.6	-38.3	-172.8	49.3	0	0	0	0	113.6	T331	T331-S334 PolarHBondContact O-N 2.78Å; T331-S334 VanDerWaalsContact O-N 3.16Å; T331-S334 PolarHBondContact O-OG 2.67Å
335	Q	47	Very low	49.7	Very low	65 Å²	65	83.1 Å²	83.1	30%	0.304	45%	0.452	S	S	.	.	H	α-helix	trans	-76.7	-33	176.4	-76.2	-178.7	-69.7	0	0	112.4	T331 V337 Q338 T339	T331-Q335 HydrophobicContact CG2-CG 4Å; T331-Q335 VanDerWaalsContact CG2-OE1 3.3Å; T331-Q335 PolarHBondContact O-N 2.62Å; Q335-V337 PolarHBondContact O-N 3.01Å; Q335-Q338 PolarHBondContact O-N 3.3Å; Q335-T339 PolarHBondContact O-N 3.18Å; Q335-T339 PolarHBondContact O-OG1 2.93Å
336	L	47.6	Very low	51.1	Low	88 Å²	88	81.1 Å²	81.1	46%	0.461	44%	0.442	S	S	.	.	H	α-helix	trans	-54.6	-38.5	176	-165.7	82.9	0	0	0	112.3	R332 M342	R332-L336 VanDerWaalsContact O-CB 3.3Å; R332-L336 WeakPolarHBondContact O-CB 3.32Å; L336-M342 HydrophobicContact CD1-CE 3.34Å; L336-M342 HydrophobicContact CD1-SD 4.26Å
337	V	51.4	Low	52.9	Low	120 Å²	120	80.1 Å²	80.1	73%	0.727	43%	0.432	S	S	*	.	H	α-helix	trans	-75.9	-23.4	178.4	174.6	0	0	0	0	112.7	L333 Q335	L333-V337 WeakPolarHBondContact O-CG2 3.5Å; Q335-V337 PolarHBondContact O-N 3.01Å
338	Q	46	Very low	55.1	Low	159 Å²	159	79.1 Å²	79.1	74%	0.743	43%	0.426	S	S	*	.	H	α-helix	trans	-96.9	-33.8	-173.4	-72.6	-177.4	-6.9	0	0	114.6	Q335	Q335-Q338 PolarHBondContact O-N 3.3Å
339	T	46.7	Very low	57.4	Low	83 Å²	83	78.1 Å²	78.1	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-121.1	-22.9	-171.9	61.6	0	0	0	0	114.7	Q335 Q341	Q335-T339 PolarHBondContact O-N 3.18Å; Q335-T339 PolarHBondContact O-OG1 2.93Å; T339-Q341 PolarHBondContact O-N 3.02Å; T339-Q341 PolarHBondContact OG1-N 3.04Å; T339-Q341 PolarHBondContact OG1-O 3.19Å
340	G	48.8	Very low	59.6	Low	67 Å²	67	77 Å²	77	69%	0.691	41%	0.405	S	S	*	.			trans	62	-1.3	-172.3	0	0	0	0	0	115.3
341	Q	47	Very low	62	Low	153 Å²	153	72.1 Å²	72.1	72%	0.715	38%	0.379	S	S	*	.			trans	-110.1	134.5	-177.3	-68	-172.2	-2.1	0	0	110.6	T339	T339-Q341 PolarHBondContact O-N 3.02Å; T339-Q341 PolarHBondContact OG1-N 3.04Å; T339-Q341 PolarHBondContact OG1-O 3.19Å
342	M	48.9	Very low	64.3	Low	93 Å²	93	72.5 Å²	72.5	46%	0.458	38%	0.38	S	S	.	.			trans	-89.9	106	173.8	-64.3	-66.4	-174.1	0	0	108.9	L325 L336 Y344	L325-M342 HydrophobicContact CD2-CB 3.79Å; L325-M342 HydrophobicContact CD2-CG 4.01Å; L325-M342 HydrophobicContact CD2-SD 3.69Å; L336-M342 HydrophobicContact CD1-CE 3.34Å; L336-M342 HydrophobicContact CD1-SD 4.26Å; M342-Y344 HydrophobicContact CB-CD2 3.96Å; M342-Y344 HydrophobicContact CB-CE2 3.41Å; M342-Y344 VanDerWaalsContact CB-CE2 3.41Å; M342-Y344 HydrophobicContact CG-CE2 4.3Å; M342-Y344 VanDerWaalsContact O-CD2 3.28Å; M342-Y344 WeakPolarHBondContact O-CD2 3.42Å; M342-Y344 PolarHBondContact O-N 2.98Å; M342-Y344 VanDerWaalsContact O-N 3.15Å
343	D	52.9	Low	66.4	Low	104 Å²	104	65.4 Å²	65.4	56%	0.556	35%	0.354	S	S	*	.			trans	-67	109.7	166.1	-80.1	-28.6	0	0	0	108.5	A326	A326-D343 HydrophobicContact CB-CB 4.05Å; A326-D343 VanDerWaalsContact CB-O 3.28Å; A326-D343 WeakPolarHBondContact CB-O 3.43Å; A326-D343 PolarHBondContact N-O 2.8Å
344	Y	61.4	Low	68.6	Low	80 Å²	80	60.6 Å²	60.6	31%	0.314	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-95.4	133.9	169.2	-68	-86.4	0	0	0	110.1	R142 V182 R324 L325 M342	R142-Y344 PolarHBondContact NH2-O 3.2Å; V182-Y344 HydrophobicContact CG2-CD2 4.11Å; V182-Y344 HydrophobicContact CG2-CE2 3.78Å; R324-Y344 WeakPolarHBondContact O-CA 3.44Å; L325-Y344 HydrophobicContact CD2-CD1 3.91Å; L325-Y344 HydrophobicContact CD2-CE1 3.37Å; L325-Y344 HydrophobicContact CD2-CE2 4.26Å; L325-Y344 HydrophobicContact CG-CD1 4.29Å; L325-Y344 HydrophobicContact CG-CE1 3.81Å; M342-Y344 HydrophobicContact CB-CD2 3.96Å; M342-Y344 HydrophobicContact CB-CE2 3.41Å; M342-Y344 VanDerWaalsContact CB-CE2 3.41Å; M342-Y344 HydrophobicContact CG-CE2 4.3Å; M342-Y344 VanDerWaalsContact O-CD2 3.28Å; M342-Y344 WeakPolarHBondContact O-CD2 3.42Å; M342-Y344 PolarHBondContact O-N 2.98Å; M342-Y344 VanDerWaalsContact O-N 3.15Å
345	E	73	Confident	70.9	Confident	74 Å²	74	58.2 Å²	58.2	35%	0.346	31%	0.312	S	S	.	.			trans	-113.9	140.9	171.6	64.5	-178.5	154.8	0	0	109.9	R324 A326 D347	R324-E345 HydrophobicContact CB-CG 4.46Å; R324-E345 WeakPolarHBondContact CB-O 3.28Å; R324-E345 HydrophobicContact CG-CG 3.86Å; R324-E345 IonicContact CZ-OE1 2.76Å; R324-E345 IonicContact CZ-OE2 3.96Å; R324-E345 IonicContact NE-OE1 3.57Å; R324-E345 PolarHBondContact NE-OE1 2.78Å; R324-E345 IonicContact NH2-OE1 2.75Å; R324-E345 PolarHBondContact NH2-OE1 3.14Å; R324-E345 IonicContact NH2-OE2 3.4Å; R324-E345 PolarHBondContact NH2-OE2 2.83Å; R324-E345 PolarHBondContact O-N 3.43Å; A326-E345 WeakPolarHBondContact CA-OE1 3.26Å; A326-E345 HydrophobicContact CB-CB 4.04Å; A326-E345 HydrophobicContact CB-CG 3.83Å; E345-D347 PolarHBondContact O-N 2.97Å
346	T	82.3	Confident	73.1	Confident	15 Å²	15	55.1 Å²	55.1	9%	0.092	30%	0.297	C	S	.	.			trans	-76.6	112.8	179.6	-51.9	0	0	0	0	110.1	V133 C178 S179 A321 M348	V133-T346 HydrophobicContact CG2-CG2 4.2Å; C178-T346 HydrophobicContact CB-CG2 3.5Å; C178-T346 PolarHBondContact O-OG1 2.94Å; S179-T346 PolarHBondContact OG-OG1 3.5Å; A321-T346 WeakPolarHBondContact O-CA 3.34Å; T346-M348 HydrophobicContact CG2-CG 4.49Å; T346-M348 HydrophobicContact CG2-SD 4.01Å; T346-M348 PolarHBondContact O-N 3.5Å
347	D	86.7	Confident	75.3	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.048	28%	0.277	C	S	.	.			trans	-83.1	95.1	176.6	-153.8	-18.9	0	0	0	112.2	A321 R324 E345 F349 Y350 R393	A321-D347 WeakPolarHBondContact CB-O 3.35Å; A321-D347 PolarHBondContact O-N 3.27Å; R324-D347 HydrophobicContact CB-CB 4.1Å; R324-D347 VanDerWaalsContact CD-OD2 3.23Å; R324-D347 WeakPolarHBondContact CD-OD2 3.34Å; R324-D347 IonicContact CZ-OD2 2.73Å; R324-D347 IonicContact NE-OD2 2.68Å; R324-D347 IonicContact NH1-OD1 3.23Å; R324-D347 PolarHBondContact NH1-OD1 2.82Å; R324-D347 IonicContact NH1-OD2 3.63Å; R324-D347 PolarHBondContact NH1-OD2 2.93Å; E345-D347 PolarHBondContact O-N 2.97Å; D347-F349 PolarHBondContact O-N 2.93Å; D347-F349 VanDerWaalsContact OD1-CB 3.23Å; D347-F349 WeakPolarHBondContact OD1-CB 3.27Å; D347-F349 PolarHBondContact OD1-N 2.92Å; D347-Y350 HydrophobicContact CB-CD2 4.01Å; D347-Y350 HydrophobicContact CB-CE2 4.08Å; D347-Y350 PolarHBondContact O-N 3.17Å; D347-Y350 VanDerWaalsContact O-N 3.16Å; D347-R393 IonicContact OD1-NH2 3.85Å; D347-R393 PolarHBondContact OD1-NH2 2.89Å; D347-R393 VanDerWaalsContact OD1-NH2 3.13Å; D347-R393 IonicContact OD2-NH2 3.19Å; D347-R393 PolarHBondContact OD2-NH2 2.77Å
348	M	91.3	Very high	77.4	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.025	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-68.5	4.2	175	-61.9	-66.2	-71	0	0	114	A130 Q131 V133 R171 F174 T346 Y350 F351	A130-M348 HydrophobicContact CB-CB 4.34Å; Q131-M348 HydrophobicContact CB-CE 4.32Å; Q131-M348 WeakPolarHBondContact O-CB 3.45Å; Q131-M348 WeakPolarHBondContact O-CG 3.38Å; V133-M348 HydrophobicContact CB-CG 4.28Å; V133-M348 HydrophobicContact CG2-CG 3.47Å; V133-M348 VanDerWaalsContact CG2-CG 3.47Å; V133-M348 HydrophobicContact CG2-SD 4.12Å; R171-M348 HydrophobicContact CG-CE 4.21Å; F174-M348 HydrophobicContact CD1-SD 4.14Å; F174-M348 HydrophobicContact CE1-SD 4.26Å; T346-M348 HydrophobicContact CG2-CG 4.49Å; T346-M348 HydrophobicContact CG2-SD 4.01Å; T346-M348 PolarHBondContact O-N 3.5Å; M348-Y350 PolarHBondContact O-N 3.11Å; M348-F351 HydrophobicContact CE-CB 3.79Å; M348-F351 HydrophobicContact CE-CD1 3.9Å; M348-F351 HydrophobicContact CE-CD2 4.18Å; M348-F351 HydrophobicContact CE-CG 3.66Å; M348-F351 PolarHBondContact O-N 2.97Å; M348-F351 HydrophobicContact SD-CB 4.18Å
349	F	91.8	Very high	79.8	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.013	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.6	-30.9	162.7	178.6	-95.7	0	0	0	112.4	H128 D347 F351 V353 K357 P389 F392	H128-F349 AromaticContact ND1-CD2 3.98Å; D347-F349 PolarHBondContact O-N 2.93Å; D347-F349 VanDerWaalsContact OD1-CB 3.23Å; D347-F349 WeakPolarHBondContact OD1-CB 3.27Å; D347-F349 PolarHBondContact OD1-N 2.92Å; F349-F351 VanDerWaalsContact C-N 3.33Å; F349-V353 HydrophobicContact CE1-CG2 4.15Å; F349-V353 HydrophobicContact CZ-CG2 4.17Å; F349-V353 VanDerWaalsContact O-CB 3.32Å; F349-V353 WeakPolarHBondContact O-CB 3.36Å; F349-V353 VanDerWaalsContact O-CG2 3.24Å; F349-V353 WeakPolarHBondContact O-CG2 3.17Å; F349-K357 HydrophobicContact CE2-CB 4.45Å; F349-K357 HydrophobicContact CZ-CB 4.22Å; F349-P389 HydrophobicContact CB-CB 3.87Å; F349-P389 HydrophobicContact CB-CG 4.33Å; F349-P389 HydrophobicContact CD1-CB 3.85Å; F349-P389 HydrophobicContact CD1-CG 3.65Å; F349-P389 HydrophobicContact CD2-CB 4.07Å; F349-P389 HydrophobicContact CE1-CB 4.42Å; F349-P389 HydrophobicContact CE1-CG 4.12Å; F349-P389 HydrophobicContact CG-CB 3.64Å; F349-P389 HydrophobicContact CG-CG 3.99Å; F349-F392 HydrophobicContact CE2-CB 3.86Å; F349-F392 AromaticContact CE2-CD2 3.56Å; F349-F392 HydrophobicContact CE2-CD2 3.56Å; F349-F392 HydrophobicContact CE2-CE2 4.4Å; F349-F392 AromaticContact CE2-CG 3.97Å; F349-F392 HydrophobicContact CE2-CG 3.97Å; F349-F392 AromaticContact CZ-CD2 3.5Å; F349-F392 HydrophobicContact CZ-CD2 3.5Å; F349-F392 VanDerWaalsContact CZ-CD2 3.5Å; F349-F392 AromaticContact CZ-CE2 3.91Å; F349-F392 HydrophobicContact CZ-CE2 3.91Å; F349-F392 HydrophobicContact CZ-CG 4.28Å
350	Y	94.3	Very high	82.1	Confident	19 Å²	19	36.4 Å²	36.4	8%	0.075	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-93.3	12.9	179.4	-52.5	-73.1	0	0	0	113.9	F174 F316 D317 W320 D347 M348 F358 P389	F174-Y350 WeakPolarHBondContact CZ-O 3.21Å; F316-Y350 WeakPolarHBondContact CA-O 3.3Å; D317-Y350 HydrophobicContact CB-CD1 4.33Å; D317-Y350 HydrophobicContact CB-CG 4.32Å; D317-Y350 PolarHBondContact N-O 2.99Å; D317-Y350 WeakPolarHBondContact O-CB 3.28Å; W320-Y350 HydrophobicContact CB-CD1 4.24Å; W320-Y350 HydrophobicContact CB-CD2 3.78Å; W320-Y350 HydrophobicContact CB-CE1 4.24Å; W320-Y350 HydrophobicContact CB-CE2 3.78Å; W320-Y350 HydrophobicContact CB-CG 4.02Å; W320-Y350 HydrophobicContact CD2-CE1 4.49Å; W320-Y350 AromaticContact CE3-CE1 3.65Å; W320-Y350 HydrophobicContact CE3-CE1 3.65Å; W320-Y350 HydrophobicContact CE3-CE2 4.48Å; W320-Y350 AromaticContact CE3-CZ 3.62Å; W320-Y350 HydrophobicContact CZ3-CE1 4.4Å; D347-Y350 HydrophobicContact CB-CD2 4.01Å; D347-Y350 HydrophobicContact CB-CE2 4.08Å; D347-Y350 PolarHBondContact O-N 3.17Å; D347-Y350 VanDerWaalsContact O-N 3.16Å; M348-Y350 PolarHBondContact O-N 3.11Å; Y350-F358 HydrophobicContact CD1-CE2 4.13Å; Y350-P389 HydrophobicContact CE2-CG 4.15Å; Y350-P389 WeakPolarHBondContact OH-CG 3.39Å
351	F	95	Very high	84.3	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.4	170.8	169.8	-93.2	0	0	0	109.5	Q131 E167 V170 R171 F174 F316 M348 F349 V353	Q131-F351 HydrophobicContact CB-CD1 4.02Å; Q131-F351 HydrophobicContact CB-CE1 4.3Å; Q131-F351 HydrophobicContact CG-CD1 4.11Å; Q131-F351 HydrophobicContact CG-CE1 4.17Å; E167-F351 HydrophobicContact CG-CZ 4.4Å; V170-F351 HydrophobicContact CG1-CE2 4.24Å; R171-F351 VanDerWaalsContact CA-CE2 3.41Å; R171-F351 HydrophobicContact CB-CE1 4.3Å; R171-F351 HydrophobicContact CB-CE2 3.84Å; R171-F351 HydrophobicContact CB-CZ 3.56Å; R171-F351 HydrophobicContact CG-CE1 4.34Å; R171-F351 HydrophobicContact CG-CE2 4.37Å; R171-F351 HydrophobicContact CG-CZ 4.04Å; F174-F351 HydrophobicContact CB-CD2 3.97Å; F174-F351 HydrophobicContact CB-CE2 4.34Å; F174-F351 HydrophobicContact CD1-CB 3.98Å; F174-F351 AromaticContact CD1-CD2 3.81Å; F174-F351 HydrophobicContact CD1-CD2 3.81Å; F174-F351 HydrophobicContact CD1-CG 4.32Å; F174-F351 HydrophobicContact CD2-CD2 4.43Å; F174-F351 HydrophobicContact CE1-CB 3.73Å; F174-F351 HydrophobicContact CE1-CD2 4.37Å; F174-F351 AromaticContact CG-CD2 3.83Å; F174-F351 HydrophobicContact CG-CD2 3.83Å; F174-F351 HydrophobicContact CZ-CB 4.24Å; F316-F351 AromaticContact CD1-CD2 3.91Å; F316-F351 HydrophobicContact CD1-CD2 3.91Å; F316-F351 HydrophobicContact CD1-CE2 4.33Å; F316-F351 AromaticContact CE1-CD2 3.58Å; F316-F351 HydrophobicContact CE1-CD2 3.58Å; F316-F351 AromaticContact CE1-CE2 3.6Å; F316-F351 HydrophobicContact CE1-CE2 3.6Å; F316-F351 HydrophobicContact CE1-CG 4.23Å; F316-F351 HydrophobicContact CE1-CZ 4.28Å; M348-F351 HydrophobicContact CE-CB 3.79Å; M348-F351 HydrophobicContact CE-CD1 3.9Å; M348-F351 HydrophobicContact CE-CD2 4.18Å; M348-F351 HydrophobicContact CE-CG 3.66Å; M348-F351 PolarHBondContact O-N 2.97Å; M348-F351 HydrophobicContact SD-CB 4.18Å; F349-F351 VanDerWaalsContact C-N 3.33Å; F351-V353 PolarHBondContact O-N 3.19Å
352	N	94.4	Very high	86.7	Confident	37 Å²	37	26.4 Å²	26.4	20%	0.198	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50	45.6	177.1	-169.4	13.8	0	0	0	111.6	E167 A314 L315 F316	E167-N352 PolarHBondContact OE2-ND2 3.38Å; A314-N352 WeakPolarHBondContact CB-OD1 3.31Å; L315-N352 VanDerWaalsContact O-CA 3.26Å; L315-N352 WeakPolarHBondContact O-CA 3.35Å; L315-N352 PolarHBondContact O-N 3.47Å; F316-N352 HydrophobicContact CE1-CB 3.87Å; F316-N352 HydrophobicContact CZ-CB 3.96Å
353	V	93.3	Very high	89	Confident	3 Å²	3	23.5 Å²	23.5	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.2	-167.7	62.6	0	0	0	0	111	L315 F349 F351 P355 F358	L315-V353 HydrophobicContact CB-CG1 3.67Å; L315-V353 PolarHBondContact O-N 3.29Å; F349-V353 HydrophobicContact CE1-CG2 4.15Å; F349-V353 HydrophobicContact CZ-CG2 4.17Å; F349-V353 VanDerWaalsContact O-CB 3.32Å; F349-V353 WeakPolarHBondContact O-CB 3.36Å; F349-V353 VanDerWaalsContact O-CG2 3.24Å; F349-V353 WeakPolarHBondContact O-CG2 3.17Å; F351-V353 PolarHBondContact O-N 3.19Å; V353-P355 WeakPolarHBondContact O-CD 3.28Å; V353-F358 HydrophobicContact CB-CD2 4.34Å; V353-F358 HydrophobicContact CG1-CB 3.86Å; V353-F358 HydrophobicContact CG1-CD1 4.17Å; V353-F358 HydrophobicContact CG1-CD2 3.47Å; V353-F358 VanDerWaalsContact CG1-CD2 3.47Å; V353-F358 HydrophobicContact CG1-CE2 3.93Å; V353-F358 HydrophobicContact CG1-CG 3.59Å; V353-F358 HydrophobicContact CG1-CZ 4.45Å; V353-F358 HydrophobicContact CG2-CB 3.97Å; V353-F358 HydrophobicContact CG2-CD2 4.03Å; V353-F358 HydrophobicContact CG2-CG 4.34Å
354	D	92.9	Very high	91.1	Very high	30 Å²	30	18.7 Å²	18.7	16%	0.16	9%	0.087	C	C	.	.			trans	-58.1	119.1	171.7	173.3	5.2	0	0	0	109.7	A356 K357 F358	D354-A356 PolarHBondContact O-N 3.31Å; D354-A356 VanDerWaalsContact O-N 3.12Å; D354-A356 WeakPolarHBondContact OD1-CB 3.47Å; D354-A356 PolarHBondContact OD1-N 3.26Å; D354-K357 HydrophobicContact CB-CB 4.19Å; D354-K357 HydrophobicContact CB-CD 3.94Å; D354-K357 HydrophobicContact CB-CG 3.99Å; D354-K357 PolarHBondContact O-N 3.26Å; D354-K357 WeakPolarHBondContact OD2-CG 3.22Å; D354-K357 IonicContact OD2-NZ 3.69Å; D354-K357 PolarHBondContact OD2-NZ 2.82Å; D354-F358 WeakPolarHBondContact O-CB 3.19Å; D354-F358 PolarHBondContact O-N 2.83Å
355	P	95.8	Very high	92.6	Very high	13 Å²	13	19.3 Å²	19.3	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-56.3	-31.8	-179.1	-20.3	29	0	0	0	113.3	L315 V353 K357 F358 I359 Q370 M371 L372	L315-P355 HydrophobicContact CD1-CB 3.89Å; L315-P355 HydrophobicContact CD1-CG 3.93Å; V353-P355 WeakPolarHBondContact O-CD 3.28Å; P355-K357 VanDerWaalsContact C-N 3.3Å; P355-K357 PolarHBondContact O-N 3.3Å; P355-F358 PolarHBondContact O-N 2.72Å; P355-I359 WeakPolarHBondContact O-CB 3.46Å; P355-I359 PolarHBondContact O-N 2.93Å; P355-Q370 WeakPolarHBondContact CB-O 3.02Å; P355-M371 HydrophobicContact CB-CB 4.09Å; P355-M371 HydrophobicContact CG-CB 3.94Å; P355-M371 HydrophobicContact CG-CE 4.1Å; P355-M371 HydrophobicContact CG-SD 4.43Å; P355-L372 HydrophobicContact CB-CD2 4.44Å
356	A	93.8	Very high	93.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-74.6	-19.3	180	0	0	0	0	0	113.3	T114 T115 L117 D354 L372	T114-A356 HydrophobicContact CG2-CB 4.1Å; T115-A356 WeakPolarHBondContact O-CB 2.95Å; L117-A356 HydrophobicContact CD1-CB 4.39Å; L117-A356 WeakPolarHBondContact CD1-O 3.49Å; L117-A356 HydrophobicContact CD2-CB 4.49Å; L117-A356 HydrophobicContact CG-CB 3.73Å; D354-A356 PolarHBondContact O-N 3.31Å; D354-A356 VanDerWaalsContact O-N 3.12Å; D354-A356 WeakPolarHBondContact OD1-CB 3.47Å; D354-A356 PolarHBondContact OD1-N 3.26Å; A356-L372 HydrophobicContact CB-CD2 3.68Å
357	K	93.9	Very high	94.1	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-87.8	-40.4	168.4	-63.1	177	-178.3	87.8	0	110.8	L117 D126 H128 F349 D354 P355 I359 Y360 F392	L117-K357 HydrophobicContact CD1-CB 4.41Å; L117-K357 HydrophobicContact CD1-CG 3.47Å; L117-K357 VanDerWaalsContact CD1-CG 3.47Å; D126-K357 IonicContact OD2-NZ 2.68Å; D126-K357 PolarHBondContact OD2-NZ 2.75Å; H128-K357 HydrophobicContact CB-CD 3.89Å; F349-K357 HydrophobicContact CE2-CB 4.45Å; F349-K357 HydrophobicContact CZ-CB 4.22Å; D354-K357 HydrophobicContact CB-CB 4.19Å; D354-K357 HydrophobicContact CB-CD 3.94Å; D354-K357 HydrophobicContact CB-CG 3.99Å; D354-K357 PolarHBondContact O-N 3.26Å; D354-K357 WeakPolarHBondContact OD2-CG 3.22Å; D354-K357 IonicContact OD2-NZ 3.69Å; D354-K357 PolarHBondContact OD2-NZ 2.82Å; P355-K357 VanDerWaalsContact C-N 3.3Å; P355-K357 PolarHBondContact O-N 3.3Å; K357-I359 PolarHBondContact O-N 2.92Å; K357-Y360 PolarHBondContact O-N 2.88Å; K357-F392 HydrophobicContact CB-CD1 4.07Å; K357-F392 HydrophobicContact CB-CD2 4.49Å; K357-F392 HydrophobicContact CB-CE1 4.02Å; K357-F392 HydrophobicContact CB-CE2 4.45Å; K357-F392 HydrophobicContact CB-CG 4.29Å; K357-F392 HydrophobicContact CB-CZ 4.21Å; K357-F392 HydrophobicContact CD-CB 4.17Å; K357-F392 HydrophobicContact CD-CD1 4.03Å; K357-F392 HydrophobicContact CD-CG 4.21Å; K357-F392 HydrophobicContact CG-CD1 3.73Å; K357-F392 HydrophobicContact CG-CE1 3.97Å; K357-F392 HydrophobicContact CG-CG 4.22Å
358	F	95.9	Very high	94.5	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.022	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-36.3	-176.1	-164.6	-124.7	0	0	0	113.8	W304 L315 D317 Y350 V353 D354 P355 Y360 S361 H362	W304-F358 HydrophobicContact CB-CZ 4.37Å; W304-F358 AromaticContact CD1-CE1 3.75Å; W304-F358 HydrophobicContact CD2-CE1 4.02Å; W304-F358 HydrophobicContact CD2-CZ 4.16Å; W304-F358 AromaticContact CE2-CE1 3.71Å; W304-F358 HydrophobicContact CG-CE1 4.02Å; W304-F358 AromaticContact CG-CZ 3.95Å; W304-F358 HydrophobicContact CG-CZ 3.95Å; W304-F358 HydrophobicContact CZ2-CE1 4.22Å; W304-F358 AromaticContact NE1-CE1 3.57Å; L315-F358 HydrophobicContact CD1-CD1 3.83Å; L315-F358 HydrophobicContact CD1-CE1 4.35Å; D317-F358 HydrophobicContact CB-CE2 4.49Å; D317-F358 HydrophobicContact CB-CZ 4.49Å; Y350-F358 HydrophobicContact CD1-CE2 4.13Å; V353-F358 HydrophobicContact CB-CD2 4.34Å; V353-F358 HydrophobicContact CG1-CB 3.86Å; V353-F358 HydrophobicContact CG1-CD1 4.17Å; V353-F358 HydrophobicContact CG1-CD2 3.47Å; V353-F358 VanDerWaalsContact CG1-CD2 3.47Å; V353-F358 HydrophobicContact CG1-CE2 3.93Å; V353-F358 HydrophobicContact CG1-CG 3.59Å; V353-F358 HydrophobicContact CG1-CZ 4.45Å; V353-F358 HydrophobicContact CG2-CB 3.97Å; V353-F358 HydrophobicContact CG2-CD2 4.03Å; V353-F358 HydrophobicContact CG2-CG 4.34Å; D354-F358 WeakPolarHBondContact O-CB 3.19Å; D354-F358 PolarHBondContact O-N 2.83Å; P355-F358 PolarHBondContact O-N 2.72Å; F358-Y360 PolarHBondContact O-N 2.86Å; F358-S361 PolarHBondContact O-N 3.25Å; F358-S361 PolarHBondContact O-OG 3.33Å; F358-H362 HydrophobicContact CD1-CB 3.74Å; F358-H362 HydrophobicContact CD2-CB 4.32Å; F358-H362 AromaticContact CD2-CG 3.99Å; F358-H362 AromaticContact CD2-ND1 3.55Å; F358-H362 HydrophobicContact CE1-CB 3.48Å; F358-H362 VanDerWaalsContact CE1-CB 3.48Å; F358-H362 AromaticContact CE1-CG 3.66Å; F358-H362 HydrophobicContact CE2-CB 4.09Å; F358-H362 AromaticContact CE2-CD2 3.81Å; F358-H362 AromaticContact CE2-CE1 3.4Å; F358-H362 VanDerWaalsContact CE2-CE1 3.4Å; F358-H362 WeakPolarHBondContact CE2-CE1 3.1Å; F358-H362 AromaticContact CE2-CG 3.45Å; F358-H362 VanDerWaalsContact CE2-CG 3.45Å; F358-H362 AromaticContact CE2-ND1 3.17Å; F358-H362 WeakPolarHBondContact CE2-ND1 3.4Å; F358-H362 AromaticContact CE2-NE2 3.81Å; F358-H362 HydrophobicContact CG-CB 4.18Å; F358-H362 HydrophobicContact CZ-CB 3.68Å; F358-H362 AromaticContact CZ-CD2 3.43Å; F358-H362 VanDerWaalsContact CZ-CD2 3.43Å; F358-H362 WeakPolarHBondContact CZ-CD2 3.28Å; F358-H362 AromaticContact CZ-CE1 3.86Å; F358-H362 AromaticContact CZ-CG 3.27Å; F358-H362 AromaticContact CZ-ND1 3.56Å; F358-H362 AromaticContact CZ-NE2 3.83Å; F358-H362 PolarHBondContact O-N 2.8Å
359	I	96.3	Very high	94.7	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.051	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.4	-179.3	-165.6	54.3	0	0	0	114.2	P355 K357 S361 H362 Y363 Q370 L372 V376 F381	P355-I359 WeakPolarHBondContact O-CB 3.46Å; P355-I359 PolarHBondContact O-N 2.93Å; K357-I359 PolarHBondContact O-N 2.92Å; I359-S361 VanDerWaalsContact C-N 3.29Å; I359-S361 PolarHBondContact O-N 2.84Å; I359-H362 WeakPolarHBondContact CA-O 3.24Å; I359-H362 WeakPolarHBondContact CD1-O 3.16Å; I359-Y363 HydrophobicContact CD1-CD2 4.07Å; I359-Q370 HydrophobicContact CD1-CB 4.48Å; I359-Q370 HydrophobicContact CD1-CG 3.91Å; I359-L372 HydrophobicContact CB-CD1 3.89Å; I359-L372 HydrophobicContact CG1-CD1 3.93Å; I359-L372 HydrophobicContact CG2-CD1 3.81Å; I359-V376 HydrophobicContact CD1-CB 4.35Å; I359-V376 HydrophobicContact CG1-CB 3.79Å; I359-V376 HydrophobicContact CG1-CG1 4.2Å; I359-V376 HydrophobicContact CG1-CG2 3.76Å; I359-V376 HydrophobicContact CG2-CG2 4.34Å; I359-F381 WeakPolarHBondContact O-CD2 3.43Å; I359-F381 VanDerWaalsContact O-CE2 3.32Å; I359-F381 WeakPolarHBondContact O-CE2 3.41Å
360	Y	95.2	Very high	94.9	Very high	37 Å²	37	24.3 Å²	24.3	15%	0.145	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.3	176.5	-80	-92.1	0	0	0	113.7	I119 K257 K357 F358 L387 F392	I119-Y360 HydrophobicContact CD1-CD2 4.25Å; I119-Y360 HydrophobicContact CD1-CE1 3.88Å; I119-Y360 HydrophobicContact CD1-CE2 3.51Å; I119-Y360 VanDerWaalsContact CD1-OH 3.32Å; I119-Y360 WeakPolarHBondContact CD1-OH 3.3Å; K257-Y360 WeakPolarHBondContact CD-O 3.14Å; K257-Y360 PolarHBondContact NZ-O 2.91Å; K357-Y360 PolarHBondContact O-N 2.88Å; F358-Y360 PolarHBondContact O-N 2.86Å; Y360-L387 HydrophobicContact CD1-CB 4.48Å; Y360-L387 HydrophobicContact CD1-CD1 3.63Å; Y360-L387 HydrophobicContact CD1-CG 3.92Å; Y360-L387 HydrophobicContact CD2-CD1 4.46Å; Y360-L387 HydrophobicContact CE1-CD1 3.88Å; Y360-L387 HydrophobicContact CE1-CG 4.49Å; Y360-L387 HydrophobicContact CG-CD1 3.95Å; Y360-L387 HydrophobicContact CG-CG 4.37Å; Y360-F392 HydrophobicContact CD2-CZ 4.2Å; Y360-F392 HydrophobicContact CG-CZ 4.32Å
361	S	95.2	Very high	95	Very high	8 Å²	8	24.2 Å²	24.2	6%	0.056	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-21.9	179.2	54	0	0	0	0	113.9	A256 K257 F358 I359	A256-S361 CarbonylContact C-O 3.51Å; A256-S361 WeakPolarHBondContact CA-O 3.4Å; K257-S361 PolarHBondContact N-O 2.79Å; F358-S361 PolarHBondContact O-N 3.25Å; F358-S361 PolarHBondContact O-OG 3.33Å; I359-S361 VanDerWaalsContact C-N 3.29Å; I359-S361 PolarHBondContact O-N 2.84Å
362	H	96.7	Very high	95	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121	-175.4	-65	76.7	0	0	0	112.1	H302 W304 D317 W320 F358 I359	H302-H362 AromaticContact CD2-CD2 3.86Å; H302-H362 AromaticContact CD2-NE2 3.73Å; W304-H362 HydrophobicContact CE3-CB 4.45Å; W304-H362 AromaticContact CE3-CD2 3.66Å; W304-H362 HydrophobicContact CH2-CB 3.91Å; W304-H362 HydrophobicContact CZ2-CB 4.18Å; W304-H362 HydrophobicContact CZ3-CB 4.07Å; W304-H362 AromaticContact CZ3-CD2 3.89Å; D317-H362 IonicContact OD2-NE2 3.87Å; D317-H362 PolarHBondContact OD2-NE2 2.93Å; W320-H362 AromaticContact CD2-CE1 3.85Å; W320-H362 AromaticContact CD2-NE2 3.82Å; W320-H362 AromaticContact CE2-NE2 3.78Å; W320-H362 AromaticContact CE3-CE1 3.45Å; W320-H362 VanDerWaalsContact CE3-CE1 3.45Å; W320-H362 AromaticContact CE3-NE2 3.9Å; W320-H362 AromaticContact CH2-CE1 3.69Å; W320-H362 AromaticContact CH2-NE2 3.95Å; W320-H362 AromaticContact CZ2-NE2 3.87Å; W320-H362 AromaticContact CZ3-CE1 3.36Å; W320-H362 WeakPolarHBondContact CZ3-CE1 3.21Å; W320-H362 AromaticContact CZ3-NE2 3.97Å; F358-H362 HydrophobicContact CD1-CB 3.74Å; F358-H362 HydrophobicContact CD2-CB 4.32Å; F358-H362 AromaticContact CD2-CG 3.99Å; F358-H362 AromaticContact CD2-ND1 3.55Å; F358-H362 HydrophobicContact CE1-CB 3.48Å; F358-H362 VanDerWaalsContact CE1-CB 3.48Å; F358-H362 AromaticContact CE1-CG 3.66Å; F358-H362 HydrophobicContact CE2-CB 4.09Å; F358-H362 AromaticContact CE2-CD2 3.81Å; F358-H362 AromaticContact CE2-CE1 3.4Å; F358-H362 VanDerWaalsContact CE2-CE1 3.4Å; F358-H362 WeakPolarHBondContact CE2-CE1 3.1Å; F358-H362 AromaticContact CE2-CG 3.45Å; F358-H362 VanDerWaalsContact CE2-CG 3.45Å; F358-H362 AromaticContact CE2-ND1 3.17Å; F358-H362 WeakPolarHBondContact CE2-ND1 3.4Å; F358-H362 AromaticContact CE2-NE2 3.81Å; F358-H362 HydrophobicContact CG-CB 4.18Å; F358-H362 HydrophobicContact CZ-CB 3.68Å; F358-H362 AromaticContact CZ-CD2 3.43Å; F358-H362 VanDerWaalsContact CZ-CD2 3.43Å; F358-H362 WeakPolarHBondContact CZ-CD2 3.28Å; F358-H362 AromaticContact CZ-CE1 3.86Å; F358-H362 AromaticContact CZ-CG 3.27Å; F358-H362 AromaticContact CZ-ND1 3.56Å; F358-H362 AromaticContact CZ-NE2 3.83Å; F358-H362 PolarHBondContact O-N 2.8Å; I359-H362 WeakPolarHBondContact CA-O 3.24Å; I359-H362 WeakPolarHBondContact CD1-O 3.16Å
363	Y	96.6	Very high	95	Very high	32 Å²	32	29.4 Å²	29.4	13%	0.125	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	105.2	-179.5	-173.9	-89.1	0	0	0	110.9	G254 L255 I359 V376 L378 F381	G254-Y363 CarbonylContact C-O 3.55Å; G254-Y363 WeakPolarHBondContact CA-O 3.14Å; L255-Y363 PolarHBondContact N-O 3.02Å; L255-Y363 PolarHBondContact O-N 2.93Å; I359-Y363 HydrophobicContact CD1-CD2 4.07Å; Y363-V376 WeakPolarHBondContact CE2-O 3.15Å; Y363-L378 HydrophobicContact CD1-CD1 3.86Å; Y363-L378 HydrophobicContact CE1-CB 4.15Å; Y363-L378 HydrophobicContact CE1-CD1 3.82Å; Y363-L378 HydrophobicContact CE2-CB 4.37Å; Y363-L378 HydrophobicContact CG-CD1 4.28Å; Y363-L378 PolarHBondContact OH-N 2.7Å; Y363-F381 HydrophobicContact CD2-CB 3.64Å; Y363-F381 HydrophobicContact CD2-CD1 4.19Å; Y363-F381 HydrophobicContact CD2-CD2 4.19Å; Y363-F381 AromaticContact CD2-CG 3.75Å; Y363-F381 HydrophobicContact CD2-CG 3.75Å; Y363-F381 HydrophobicContact CE2-CB 4.19Å; Y363-F381 HydrophobicContact CG-CB 4.34Å; Y363-F381 HydrophobicContact CG-CD1 4.03Å; Y363-F381 HydrophobicContact CG-CD2 4.47Å; Y363-F381 HydrophobicContact CG-CE1 4.45Å; Y363-F381 HydrophobicContact CG-CG 4.03Å
364	P	96.7	Very high	95.1	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.019	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	151.4	179.8	26.8	-31.2	0	0	0	112	V252 W304 W369 Q370	V252-P364 HydrophobicContact CG1-CB 3.9Å; W304-P364 HydrophobicContact CH2-CB 4.13Å; W304-P364 HydrophobicContact CZ2-CB 3.75Å; W304-P364 HydrophobicContact CZ2-CG 4.26Å; P364-W369 HydrophobicContact CB-CB 3.71Å; P364-W369 HydrophobicContact CG-CB 3.95Å; P364-Q370 HydrophobicContact CG-CB 4.38Å; P364-Q370 HydrophobicContact CG-CG 3.53Å
365	F	93.5	Very high	95.2	Very high	93 Å²	93	34.3 Å²	34.3	41%	0.408	17%	0.171	S	C	.	.	S	Bend	trans	-74.4	-28.8	176.2	-61.9	-47.6	0	0	0	113.7	K253 G254 L255 M297 Q301	K253-F365 HydrophobicContact CB-CD2 3.92Å; K253-F365 HydrophobicContact CB-CE2 4.17Å; K253-F365 WeakPolarHBondContact O-CD2 3.34Å; K253-F365 PolarHBondContact O-N 2.85Å; G254-F365 WeakPolarHBondContact O-CZ 3.44Å; L255-F365 HydrophobicContact CD2-CE1 3.77Å; L255-F365 HydrophobicContact CD2-CZ 3.9Å; L255-F365 HydrophobicContact CG-CE1 3.79Å; L255-F365 HydrophobicContact CG-CZ 4.31Å; M297-F365 HydrophobicContact CE-CD1 4.29Å; M297-F365 HydrophobicContact CE-CE1 3.47Å; M297-F365 VanDerWaalsContact CE-CE1 3.47Å; M297-F365 HydrophobicContact CE-CZ 3.76Å; Q301-F365 HydrophobicContact CG-CZ 4.46Å
366	D	93	Very high	95.2	Very high	46 Å²	46	34.5 Å²	34.5	25%	0.246	17%	0.172	C	C	.	.	S	Bend	trans	-95.9	117.6	166.5	178.8	-14.5	0	0	0	108	S101 N368 W369	S101-D366 WeakPolarHBondContact CB-OD2 3.33Å; S101-D366 PolarHBondContact OG-OD2 3.47Å; D366-N368 PolarHBondContact O-N 3.41Å; D366-N368 WeakPolarHBondContact OD1-CB 3.47Å; D366-N368 PolarHBondContact OD1-N 2.81Å; D366-N368 PolarHBondContact OD1-ND2 2.96Å; D366-W369 WeakPolarHBondContact O-CB 3.5Å; D366-W369 PolarHBondContact O-N 2.69Å
367	E	94.5	Very high	95.2	Very high	113 Å²	113	38.1 Å²	38.1	53%	0.528	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-60.1	-24.5	-177.3	60.5	177.9	-162.4	0	0	113.8	W369 Q370 P375	E367-W369 PolarHBondContact O-N 2.81Å; E367-Q370 VanDerWaalsContact O-CB 3.26Å; E367-Q370 WeakPolarHBondContact O-CB 3.43Å; E367-Q370 WeakPolarHBondContact O-CG 3.38Å; E367-Q370 PolarHBondContact O-N 3.34Å; E367-P375 HydrophobicContact CB-CB 4.38Å
368	N	94.1	Very high	95.2	Very high	32 Å²	32	40.4 Å²	40.4	17%	0.171	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.8	-31.3	176	-66.1	-84.8	0	0	0	111.5	L108 Q110 F113 D366 Q370 M371	L108-N368 HydrophobicContact CD2-CB 3.98Å; L108-N368 VanDerWaalsContact CD2-O 3.32Å; L108-N368 WeakPolarHBondContact CD2-O 3.34Å; Q110-N368 PolarHBondContact NE2-OD1 2.95Å; F113-N368 HydrophobicContact CZ-CB 4.39Å; F113-N368 WeakPolarHBondContact CZ-O 3.26Å; D366-N368 PolarHBondContact O-N 3.41Å; D366-N368 WeakPolarHBondContact OD1-CB 3.47Å; D366-N368 PolarHBondContact OD1-N 2.81Å; D366-N368 PolarHBondContact OD1-ND2 2.96Å; N368-Q370 PolarHBondContact O-N 3.04Å; N368-M371 PolarHBondContact O-N 3.02Å
369	W	96	Very high	95.1	Very high	17 Å²	17	44.1 Å²	44.1	6%	0.064	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-73.5	-6.6	176.3	-79.2	124.1	0	0	0	114.4	I104 L108 V250 V252 A306 W313 P364 D366 E367 M371	I104-W369 HydrophobicContact CD1-CZ2 3.5Å; L108-W369 HydrophobicContact CD1-CE3 4.2Å; L108-W369 HydrophobicContact CD1-CH2 3.49Å; L108-W369 VanDerWaalsContact CD1-CH2 3.49Å; L108-W369 HydrophobicContact CD1-CZ2 3.95Å; L108-W369 HydrophobicContact CD1-CZ3 3.62Å; L108-W369 HydrophobicContact CD2-CD2 4.1Å; L108-W369 HydrophobicContact CD2-CE3 3.88Å; L108-W369 HydrophobicContact CD2-CZ3 4.12Å; L108-W369 HydrophobicContact CG-CZ3 4.38Å; V250-W369 HydrophobicContact CG2-CH2 3.5Å; V250-W369 HydrophobicContact CG2-CZ2 3.46Å; V250-W369 VanDerWaalsContact CG2-CZ2 3.46Å; V252-W369 HydrophobicContact CB-CG 4.5Å; V252-W369 HydrophobicContact CG1-CB 3.75Å; V252-W369 HydrophobicContact CG1-CD2 4.36Å; V252-W369 HydrophobicContact CG1-CG 3.76Å; V252-W369 HydrophobicContact CG2-CD2 3.61Å; V252-W369 HydrophobicContact CG2-CE3 3.91Å; V252-W369 HydrophobicContact CG2-CG 3.91Å; V252-W369 HydrophobicContact CG2-CH2 4.46Å; V252-W369 HydrophobicContact CG2-CZ2 4.17Å; V252-W369 HydrophobicContact CG2-CZ3 4.35Å; A306-W369 HydrophobicContact CB-CE3 3.95Å; A306-W369 HydrophobicContact CB-CH2 3.54Å; A306-W369 HydrophobicContact CB-CZ2 4.48Å; A306-W369 HydrophobicContact CB-CZ3 3.23Å; W313-W369 HydrophobicContact CD2-CH2 4.08Å; W313-W369 HydrophobicContact CD2-CZ3 4.28Å; W313-W369 AromaticContact CE3-CH2 3.96Å; W313-W369 HydrophobicContact CE3-CH2 3.96Å; W313-W369 HydrophobicContact CE3-CZ3 4.23Å; W313-W369 HydrophobicContact CG-CZ3 4.45Å; W313-W369 HydrophobicContact CZ3-CH2 4.24Å; P364-W369 HydrophobicContact CB-CB 3.71Å; P364-W369 HydrophobicContact CG-CB 3.95Å; D366-W369 WeakPolarHBondContact O-CB 3.5Å; D366-W369 PolarHBondContact O-N 2.69Å; E367-W369 PolarHBondContact O-N 2.81Å; W369-M371 PolarHBondContact O-N 3.1Å
370	Q	96.8	Very high	95	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.019	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-66.7	-27.3	163.7	-58.9	-174.7	17.3	0	0	110.7	P355 I359 P364 E367 N368 L372 V376	P355-Q370 WeakPolarHBondContact CB-O 3.02Å; I359-Q370 HydrophobicContact CD1-CB 4.48Å; I359-Q370 HydrophobicContact CD1-CG 3.91Å; P364-Q370 HydrophobicContact CG-CB 4.38Å; P364-Q370 HydrophobicContact CG-CG 3.53Å; E367-Q370 VanDerWaalsContact O-CB 3.26Å; E367-Q370 WeakPolarHBondContact O-CB 3.43Å; E367-Q370 WeakPolarHBondContact O-CG 3.38Å; E367-Q370 PolarHBondContact O-N 3.34Å; N368-Q370 PolarHBondContact O-N 3.04Å; Q370-L372 HydrophobicContact CB-CB 4.21Å; Q370-L372 HydrophobicContact CB-CD1 4.34Å; Q370-L372 HydrophobicContact CB-CG 4.27Å; Q370-L372 WeakPolarHBondContact O-CG 3.28Å; Q370-L372 PolarHBondContact O-N 2.81Å; Q370-V376 PolarHBondContact NE2-O 2.9Å; Q370-V376 PolarHBondContact OE1-O 2.96Å
371	M	95.4	Very high	95	Very high	17 Å²	17	46.6 Å²	46.6	8%	0.084	23%	0.234	C	C	.	.			trans	53.6	34.2	-173.9	-59.5	167.3	51.4	0	0	112.3	L108 F113 T114 W313 L315 P355 N368 W369	L108-M371 HydrophobicContact CD2-CG 4.5Å; F113-M371 CarbonylContact C-O 3.58Å; F113-M371 VanDerWaalsContact CA-O 3.31Å; F113-M371 WeakPolarHBondContact CA-O 3.44Å; F113-M371 WeakPolarHBondContact CB-O 3.2Å; F113-M371 HydrophobicContact CD1-CB 4.06Å; F113-M371 HydrophobicContact CD1-CG 4.44Å; F113-M371 HydrophobicContact CE1-CB 4.23Å; F113-M371 HydrophobicContact CE1-CG 4.16Å; F113-M371 HydrophobicContact CG-CB 4.5Å; T114-M371 PolarHBondContact N-O 2.91Å; W313-M371 HydrophobicContact CB-CE 4.16Å; W313-M371 HydrophobicContact CB-SD 4.28Å; W313-M371 WeakPolarHBondContact O-CE 3.44Å; L315-M371 HydrophobicContact CD1-SD 4.27Å; L315-M371 HydrophobicContact CD2-SD 4.04Å; L315-M371 HydrophobicContact CG-SD 3.99Å; P355-M371 HydrophobicContact CB-CB 4.09Å; P355-M371 HydrophobicContact CG-CB 3.94Å; P355-M371 HydrophobicContact CG-CE 4.1Å; P355-M371 HydrophobicContact CG-SD 4.43Å; N368-M371 PolarHBondContact O-N 3.02Å; W369-M371 PolarHBondContact O-N 3.1Å
372	L	96	Very high	94.9	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.4	-176.5	-70.9	176	0	0	0	112.7	T114 Q116 P355 A356 I359 Q370 P374 V376	T114-L372 CarbonylContact O-C 3.52Å; T114-L372 VanDerWaalsContact O-CA 3.29Å; T114-L372 WeakPolarHBondContact O-CA 3.44Å; T114-L372 WeakPolarHBondContact O-CD2 3.23Å; Q116-L372 HydrophobicContact CG-CD1 4.45Å; P355-L372 HydrophobicContact CB-CD2 4.44Å; A356-L372 HydrophobicContact CB-CD2 3.68Å; I359-L372 HydrophobicContact CB-CD1 3.89Å; I359-L372 HydrophobicContact CG1-CD1 3.93Å; I359-L372 HydrophobicContact CG2-CD1 3.81Å; Q370-L372 HydrophobicContact CB-CB 4.21Å; Q370-L372 HydrophobicContact CB-CD1 4.34Å; Q370-L372 HydrophobicContact CB-CG 4.27Å; Q370-L372 WeakPolarHBondContact O-CG 3.28Å; Q370-L372 PolarHBondContact O-N 2.81Å; L372-P374 CarbonylContact C-O 3.52Å; L372-P374 CarbonylContact O-C 3.49Å; L372-V376 HydrophobicContact CD1-CG2 3.94Å
373	K	93.3	Very high	94.8	Very high	144 Å²	144	48.2 Å²	48.2	63%	0.626	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.8	173.6	-168.2	171.5	-176.5	173.8	0	111.3	F113 T114	F113-K373 HydrophobicContact CB-CB 4.29Å; T114-K373 PolarHBondContact O-N 2.84Å
374	P	95	Very high	94.8	Very high	86 Å²	86	47.5 Å²	47.5	56%	0.558	24%	0.242	S	C	*	.	S	Bend	cis	-65.5	165.2	-14.1	30.5	-34.3	0	0	0	111.7	Q116 L372	Q116-P374 WeakPolarHBondContact CG-O 3.38Å; Q116-P374 PolarHBondContact NE2-O 3.26Å; L372-P374 CarbonylContact C-O 3.52Å; L372-P374 CarbonylContact O-C 3.49Å
375	P	95.6	Very high	94.8	Very high	50 Å²	50	47.4 Å²	47.4	33%	0.325	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66.7	154	169.6	28.7	-34.7	0	0	0	111.9	Q116 E367	Q116-P375 VanDerWaalsContact NE2-C 3.35Å; Q116-P375 PolarHBondContact NE2-O 2.8Å; Q116-P375 VanDerWaalsContact NE2-O 3.15Å; E367-P375 HydrophobicContact CB-CB 4.38Å
376	V	95.4	Very high	94.9	Very high	17 Å²	17	43.2 Å²	43.2	10%	0.103	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-81.9	131.7	169.9	177	0	0	0	0	108.7	Q116 I359 Y363 Q370 L372 Q380	Q116-V376 HydrophobicContact CG-CG2 4.18Å; I359-V376 HydrophobicContact CD1-CB 4.35Å; I359-V376 HydrophobicContact CG1-CB 3.79Å; I359-V376 HydrophobicContact CG1-CG1 4.2Å; I359-V376 HydrophobicContact CG1-CG2 3.76Å; I359-V376 HydrophobicContact CG2-CG2 4.34Å; Y363-V376 WeakPolarHBondContact CE2-O 3.15Å; Q370-V376 PolarHBondContact NE2-O 2.9Å; Q370-V376 PolarHBondContact OE1-O 2.96Å; L372-V376 HydrophobicContact CD1-CG2 3.94Å; V376-Q380 HydrophobicContact CG1-CB 3.72Å
377	T	95.2	Very high	95	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.46	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-76.7	154.6	175.6	64.4	0	0	0	0	111.9	K379 Q380 F381	T377-K379 PolarHBondContact O-N 3.35Å; T377-K379 VanDerWaalsContact O-N 3.12Å; T377-Q380 PolarHBondContact O-N 3.27Å; T377-Q380 WeakPolarHBondContact OG1-CG 3.34Å; T377-Q380 PolarHBondContact OG1-N 2.87Å; T377-Q380 PolarHBondContact OG1-OE1 3.44Å; T377-F381 PolarHBondContact O-N 3.22Å
378	L	93.5	Very high	94.9	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.288	20%	0.196	S	C	.	.	H	α-helix	trans	-54.7	-32.6	174.9	-177.8	61.7	0	0	0	112.3	L255 L267 Y363 F381 E382	L255-L378 HydrophobicContact CD1-CD1 4.05Å; L267-L378 HydrophobicContact CD1-CD1 3.75Å; Y363-L378 HydrophobicContact CD1-CD1 3.86Å; Y363-L378 HydrophobicContact CE1-CB 4.15Å; Y363-L378 HydrophobicContact CE1-CD1 3.82Å; Y363-L378 HydrophobicContact CE2-CB 4.37Å; Y363-L378 HydrophobicContact CG-CD1 4.28Å; Y363-L378 PolarHBondContact OH-N 2.7Å; L378-F381 HydrophobicContact CD1-CD1 4.26Å; L378-F381 PolarHBondContact O-N 2.8Å; L378-E382 WeakPolarHBondContact O-CB 3.44Å; L378-E382 PolarHBondContact O-N 3.29Å
379	K	93.2	Very high	94.8	Very high	83 Å²	83	37 Å²	37	36%	0.361	19%	0.193	S	C	.	.	H	α-helix	trans	-71.8	-37.7	178	-169.5	56.8	170.9	-176.2	0	113	N268 T377 E382 N383	N268-K379 PolarHBondContact ND2-NZ 3Å; T377-K379 PolarHBondContact O-N 3.35Å; T377-K379 VanDerWaalsContact O-N 3.12Å; K379-E382 IonicContact NZ-OE1 2.88Å; K379-E382 PolarHBondContact NZ-OE1 3.42Å; K379-E382 IonicContact NZ-OE2 3.25Å; K379-N383 WeakPolarHBondContact O-CB 3.43Å; K379-N383 PolarHBondContact O-N 2.87Å
380	Q	94.4	Very high	94.6	Very high	93 Å²	93	36.3 Å²	36.3	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-66.6	-39.1	171.1	-73.2	163	-54.2	0	0	111.1	V376 T377 N383 S384	V376-Q380 HydrophobicContact CG1-CB 3.72Å; T377-Q380 PolarHBondContact O-N 3.27Å; T377-Q380 WeakPolarHBondContact OG1-CG 3.34Å; T377-Q380 PolarHBondContact OG1-N 2.87Å; T377-Q380 PolarHBondContact OG1-OE1 3.44Å; Q380-N383 PolarHBondContact O-N 2.57Å; Q380-S384 VanDerWaalsContact O-CB 3.3Å; Q380-S384 WeakPolarHBondContact O-CB 3.29Å; Q380-S384 PolarHBondContact O-N 3.36Å
381	F	95.2	Very high	94.5	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.022	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-43.1	174	176.6	-104.3	0	0	0	112.9	L255 K257 L267 I359 Y363 T377 L378 S384	L255-F381 HydrophobicContact CB-CE1 4.47Å; K257-F381 HydrophobicContact CD-CE2 4.41Å; K257-F381 HydrophobicContact CD-CZ 4.24Å; K257-F381 WeakPolarHBondContact CE-O 3.11Å; K257-F381 HydrophobicContact CG-CE1 4.38Å; K257-F381 HydrophobicContact CG-CE2 4.39Å; K257-F381 HydrophobicContact CG-CZ 3.8Å; K257-F381 PolarHBondContact NZ-O 3.19Å; L267-F381 HydrophobicContact CD1-CD1 3.85Å; L267-F381 HydrophobicContact CD1-CE1 4.11Å; I359-F381 WeakPolarHBondContact O-CD2 3.43Å; I359-F381 VanDerWaalsContact O-CE2 3.32Å; I359-F381 WeakPolarHBondContact O-CE2 3.41Å; Y363-F381 HydrophobicContact CD2-CB 3.64Å; Y363-F381 HydrophobicContact CD2-CD1 4.19Å; Y363-F381 HydrophobicContact CD2-CD2 4.19Å; Y363-F381 AromaticContact CD2-CG 3.75Å; Y363-F381 HydrophobicContact CD2-CG 3.75Å; Y363-F381 HydrophobicContact CE2-CB 4.19Å; Y363-F381 HydrophobicContact CG-CB 4.34Å; Y363-F381 HydrophobicContact CG-CD1 4.03Å; Y363-F381 HydrophobicContact CG-CD2 4.47Å; Y363-F381 HydrophobicContact CG-CE1 4.45Å; Y363-F381 HydrophobicContact CG-CG 4.03Å; T377-F381 PolarHBondContact O-N 3.22Å; L378-F381 HydrophobicContact CD1-CD1 4.26Å; L378-F381 PolarHBondContact O-N 2.8Å; F381-S384 PolarHBondContact O-OG 3.09Å
382	E	93.5	Very high	94.3	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-49.7	173.8	-177.5	-164.2	91.6	0	0	111.2	R266 L267 N268 L378 K379	R266-E382 WeakPolarHBondContact CA-OE2 3.42Å; R266-E382 VanDerWaalsContact CD-CD 3.48Å; R266-E382 WeakPolarHBondContact CD-OE1 3.48Å; R266-E382 IonicContact CZ-OE1 3.96Å; R266-E382 IonicContact NE-OE1 3.58Å; R266-E382 IonicContact NH1-OE1 3.13Å; R266-E382 PolarHBondContact NH1-OE1 2.97Å; L267-E382 HydrophobicContact CB-CG 4.37Å; L267-E382 HydrophobicContact CD1-CB 4.07Å; L267-E382 HydrophobicContact CD1-CG 4.47Å; L267-E382 HydrophobicContact CG-CB 4.22Å; L267-E382 HydrophobicContact CG-CG 4.09Å; L267-E382 PolarHBondContact N-OE2 3.06Å; N268-E382 PolarHBondContact N-OE2 3.25Å; L378-E382 WeakPolarHBondContact O-CB 3.44Å; L378-E382 PolarHBondContact O-N 3.29Å; K379-E382 IonicContact NZ-OE1 2.88Å; K379-E382 PolarHBondContact NZ-OE1 3.42Å; K379-E382 IonicContact NZ-OE2 3.25Å
383	N	95.2	Very high	94	Very high	41 Å²	41	38.6 Å²	38.6	22%	0.219	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-30.4	-176.5	-79.2	-6.5	0	0	0	112.9	R266 K379 Q380 D403 C404	R266-N383 PolarHBondContact NH1-OD1 3.17Å; K379-N383 WeakPolarHBondContact O-CB 3.43Å; K379-N383 PolarHBondContact O-N 2.87Å; Q380-N383 PolarHBondContact O-N 2.57Å; N383-D403 CarbonylContact O-C 3.5Å; N383-D403 VanDerWaalsContact O-CA 3.29Å; N383-D403 WeakPolarHBondContact O-CA 3.38Å; N383-C404 PolarHBondContact O-N 2.74Å; N383-C404 PolarHBondContact O-SG 3.1Å; N383-C404 VanDerWaalsContact O-SG 3.39Å
384	S	95.2	Very high	93.9	Very high	17 Å²	17	32 Å²	32	12%	0.119	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-62.9	137	-171.6	67	0	0	0	0	113.8	K257 Q380 F381 C404	K257-S384 PolarHBondContact NZ-O 3.18Å; K257-S384 PolarHBondContact NZ-OG 2.69Å; Q380-S384 VanDerWaalsContact O-CB 3.3Å; Q380-S384 WeakPolarHBondContact O-CB 3.29Å; Q380-S384 PolarHBondContact O-N 3.36Å; F381-S384 PolarHBondContact O-OG 3.09Å; S384-C404 WeakPolarHBondContact O-CB 3.38Å
385	V	96	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-46.3	138.9	171.1	58.9	0	0	0	0	111.2	L387 L398 Q402 C491 Y493	V385-L387 HydrophobicContact CG1-CD2 3.63Å; V385-L387 HydrophobicContact CG1-CG 3.95Å; V385-L387 HydrophobicContact CG2-CD2 4.16Å; V385-L387 PolarHBondContact O-N 3.16Å; V385-L398 HydrophobicContact CG1-CD1 3.47Å; V385-L398 VanDerWaalsContact CG1-CD1 3.47Å; V385-L398 HydrophobicContact CG1-CD2 4.25Å; V385-Q402 WeakPolarHBondContact CG1-O 3.46Å; V385-Q402 PolarHBondContact N-O 2.78Å; V385-C491 HydrophobicContact CG2-CB 4.01Å; V385-Y493 HydrophobicContact CB-CD1 4.44Å; V385-Y493 HydrophobicContact CB-CE1 3.89Å; V385-Y493 HydrophobicContact CG2-CD1 3.92Å; V385-Y493 HydrophobicContact CG2-CD2 4.42Å; V385-Y493 HydrophobicContact CG2-CE1 3.46Å; V385-Y493 VanDerWaalsContact CG2-CE1 3.46Å; V385-Y493 HydrophobicContact CG2-CE2 4.01Å; V385-Y493 HydrophobicContact CG2-CG 4.38Å
386	L	95.9	Very high	93.7	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	96.5	175.7	175	57.2	0	0	0	108.9	K257 Y261 V263 C491 E492	K257-L386 HydrophobicContact CB-CD1 3.74Å; K257-L386 HydrophobicContact CD-CD1 3.89Å; K257-L386 HydrophobicContact CG-CD1 4.45Å; Y261-L386 HydrophobicContact CD1-CD2 3.96Å; Y261-L386 HydrophobicContact CE1-CB 4.38Å; Y261-L386 HydrophobicContact CE1-CD2 4Å; V263-L386 HydrophobicContact CG2-CB 4.29Å; V263-L386 HydrophobicContact CG2-CD2 3.96Å; L386-C491 CarbonylContact O-C 3.51Å; L386-C491 WeakPolarHBondContact O-CA 3.21Å; L386-E492 HydrophobicContact CB-CB 4.24Å; L386-E492 HydrophobicContact CD2-CB 4.16Å; L386-E492 HydrophobicContact CD2-CG 4.24Å; L386-E492 HydrophobicContact CG-CB 4.46Å; L386-E492 PolarHBondContact N-O 2.7Å; L386-E492 PolarHBondContact O-N 2.65Å
387	L	95.5	Very high	93.6	Very high	4 Å²	4	25 Å²	25	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	147.9	172.6	-58.1	-174.9	0	0	0	111.2	I119 Y360 V385 F391 F392 L398 C491	I119-L387 HydrophobicContact CD1-CD1 3.43Å; I119-L387 VanDerWaalsContact CD1-CD1 3.43Å; Y360-L387 HydrophobicContact CD1-CB 4.48Å; Y360-L387 HydrophobicContact CD1-CD1 3.63Å; Y360-L387 HydrophobicContact CD1-CG 3.92Å; Y360-L387 HydrophobicContact CD2-CD1 4.46Å; Y360-L387 HydrophobicContact CE1-CD1 3.88Å; Y360-L387 HydrophobicContact CE1-CG 4.49Å; Y360-L387 HydrophobicContact CG-CD1 3.95Å; Y360-L387 HydrophobicContact CG-CG 4.37Å; V385-L387 HydrophobicContact CG1-CD2 3.63Å; V385-L387 HydrophobicContact CG1-CG 3.95Å; V385-L387 HydrophobicContact CG2-CD2 4.16Å; V385-L387 PolarHBondContact O-N 3.16Å; L387-F391 HydrophobicContact CD1-CD1 3.94Å; L387-F391 HydrophobicContact CD1-CE1 3.86Å; L387-F391 HydrophobicContact CD1-CZ 4.43Å; L387-F391 HydrophobicContact CD2-CD1 4.14Å; L387-F391 HydrophobicContact CD2-CD2 3.91Å; L387-F391 HydrophobicContact CD2-CE1 4.19Å; L387-F391 HydrophobicContact CD2-CE2 3.96Å; L387-F391 HydrophobicContact CD2-CG 4.02Å; L387-F391 HydrophobicContact CD2-CZ 4.12Å; L387-F391 HydrophobicContact CG-CD1 4.46Å; L387-F392 HydrophobicContact CB-CE2 3.92Å; L387-F392 HydrophobicContact CB-CZ 3.81Å; L387-F392 HydrophobicContact CD1-CE1 3.98Å; L387-F392 HydrophobicContact CD1-CZ 3.7Å; L387-F392 HydrophobicContact CG-CZ 4.41Å; L387-L398 HydrophobicContact CD2-CD1 4.43Å; L387-L398 HydrophobicContact CD2-CD2 4.37Å; L387-C491 HydrophobicContact CD2-CB 3.76Å
388	K	92.9	Very high	93.7	Very high	40 Å²	40	21.6 Å²	21.6	17%	0.174	10%	0.104	C	C	.	.			trans	-119	159.8	-177.5	-58	-70.5	-174.5	153.1	0	110.8	A390 F391 D489 I490 E492	K388-A390 PolarHBondContact O-N 3.48Å; K388-F391 VanDerWaalsContact O-CB 3.27Å; K388-F391 WeakPolarHBondContact O-CB 3.45Å; K388-F391 PolarHBondContact O-N 3.08Å; K388-D489 WeakPolarHBondContact CB-O 3.3Å; K388-D489 WeakPolarHBondContact CD-OD2 3.29Å; K388-D489 WeakPolarHBondContact CE-OD2 3.48Å; K388-D489 HydrophobicContact CG-CB 4.17Å; K388-D489 WeakPolarHBondContact CG-OD2 3.48Å; K388-D489 IonicContact NZ-OD2 2.79Å; K388-D489 PolarHBondContact NZ-OD2 3.5Å; K388-D489 VanDerWaalsContact NZ-OD2 3.13Å; K388-I490 WeakPolarHBondContact CB-O 3.36Å; K388-I490 PolarHBondContact N-O 3.18Å; K388-E492 WeakPolarHBondContact CE-OE1 3.05Å; K388-E492 IonicContact NZ-OE1 3.43Å; K388-E492 PolarHBondContact NZ-OE1 2.55Å
389	P	91.8	Very high	93.7	Very high	16 Å²	16	22.6 Å²	22.6	10%	0.104	11%	0.109	C	C	.	.	H	α-helix	trans	-49.3	-36.8	-179.9	-32.3	37.5	0	0	0	115.3	F349 Y350 F391 F392 R393	F349-P389 HydrophobicContact CB-CB 3.87Å; F349-P389 HydrophobicContact CB-CG 4.33Å; F349-P389 HydrophobicContact CD1-CB 3.85Å; F349-P389 HydrophobicContact CD1-CG 3.65Å; F349-P389 HydrophobicContact CD2-CB 4.07Å; F349-P389 HydrophobicContact CE1-CB 4.42Å; F349-P389 HydrophobicContact CE1-CG 4.12Å; F349-P389 HydrophobicContact CG-CB 3.64Å; F349-P389 HydrophobicContact CG-CG 3.99Å; Y350-P389 HydrophobicContact CE2-CG 4.15Å; Y350-P389 WeakPolarHBondContact OH-CG 3.39Å; P389-F391 VanDerWaalsContact C-N 3.31Å; P389-F391 PolarHBondContact O-N 3.31Å; P389-F392 PolarHBondContact O-N 2.89Å; P389-R393 WeakPolarHBondContact O-CB 3.36Å; P389-R393 PolarHBondContact O-N 2.91Å
390	A	91.4	Very high	93.8	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-66.2	-30.3	-179.8	0	0	0	0	0	113.4	K388 F392 R393 H394 A488 I490	K388-A390 PolarHBondContact O-N 3.48Å; A390-F392 PolarHBondContact O-N 2.91Å; A390-R393 PolarHBondContact O-N 3.07Å; A390-H394 WeakPolarHBondContact O-CB 3.47Å; A390-H394 PolarHBondContact O-CD2 3.05Å; A390-H394 PolarHBondContact O-N 3.16Å; A390-A488 HydrophobicContact CB-CB 3.58Å; A390-I490 HydrophobicContact CB-CG2 3.9Å
391	F	94.4	Very high	93.9	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-59.4	-49.5	176.1	-177.1	-84.9	0	0	0	111.1	I119 L387 K388 P389 G395 L396 L398 I490	I119-F391 HydrophobicContact CG2-CE1 3.7Å; I119-F391 HydrophobicContact CG2-CZ 3.74Å; L387-F391 HydrophobicContact CD1-CD1 3.94Å; L387-F391 HydrophobicContact CD1-CE1 3.86Å; L387-F391 HydrophobicContact CD1-CZ 4.43Å; L387-F391 HydrophobicContact CD2-CD1 4.14Å; L387-F391 HydrophobicContact CD2-CD2 3.91Å; L387-F391 HydrophobicContact CD2-CE1 4.19Å; L387-F391 HydrophobicContact CD2-CE2 3.96Å; L387-F391 HydrophobicContact CD2-CG 4.02Å; L387-F391 HydrophobicContact CD2-CZ 4.12Å; L387-F391 HydrophobicContact CG-CD1 4.46Å; K388-F391 VanDerWaalsContact O-CB 3.27Å; K388-F391 WeakPolarHBondContact O-CB 3.45Å; K388-F391 PolarHBondContact O-N 3.08Å; P389-F391 VanDerWaalsContact C-N 3.31Å; P389-F391 PolarHBondContact O-N 3.31Å; F391-G395 PolarHBondContact O-N 3.42Å; F391-L396 HydrophobicContact CD1-CB 4.27Å; F391-L396 HydrophobicContact CD2-CB 3.71Å; F391-L396 HydrophobicContact CD2-CD1 4.04Å; F391-L396 HydrophobicContact CD2-CG 4.46Å; F391-L396 HydrophobicContact CE1-CB 4.18Å; F391-L396 WeakPolarHBondContact CE1-O 3.33Å; F391-L396 HydrophobicContact CE2-CB 3.62Å; F391-L396 HydrophobicContact CG-CB 4.02Å; F391-L396 HydrophobicContact CZ-CB 3.85Å; F391-L396 WeakPolarHBondContact CZ-O 3.44Å; F391-L396 PolarHBondContact O-N 2.85Å; F391-L398 HydrophobicContact CE2-CD2 3.96Å; F391-L398 HydrophobicContact CE2-CG 4.33Å; F391-L398 HydrophobicContact CZ-CD2 4.03Å; F391-L398 HydrophobicContact CZ-CG 3.87Å; F391-I490 HydrophobicContact CB-CB 4.1Å; F391-I490 WeakPolarHBondContact CB-O 3.43Å; F391-I490 HydrophobicContact CD2-CB 4.3Å
392	F	92.6	Very high	93.8	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.066	12%	0.122	C	C	.	.	H	α-helix	trans	-70.9	-37.6	178.3	-55.5	-71	0	0	0	112.6	L117 I119 H128 F349 K357 Y360 L387 P389 A390 H394 G395	L117-F392 HydrophobicContact CD1-CE1 4.27Å; I119-F392 HydrophobicContact CD1-CE1 4.17Å; H128-F392 HydrophobicContact CB-CB 4.41Å; F349-F392 HydrophobicContact CE2-CB 3.86Å; F349-F392 AromaticContact CE2-CD2 3.56Å; F349-F392 HydrophobicContact CE2-CD2 3.56Å; F349-F392 HydrophobicContact CE2-CE2 4.4Å; F349-F392 AromaticContact CE2-CG 3.97Å; F349-F392 HydrophobicContact CE2-CG 3.97Å; F349-F392 AromaticContact CZ-CD2 3.5Å; F349-F392 HydrophobicContact CZ-CD2 3.5Å; F349-F392 VanDerWaalsContact CZ-CD2 3.5Å; F349-F392 AromaticContact CZ-CE2 3.91Å; F349-F392 HydrophobicContact CZ-CE2 3.91Å; F349-F392 HydrophobicContact CZ-CG 4.28Å; K357-F392 HydrophobicContact CB-CD1 4.07Å; K357-F392 HydrophobicContact CB-CD2 4.49Å; K357-F392 HydrophobicContact CB-CE1 4.02Å; K357-F392 HydrophobicContact CB-CE2 4.45Å; K357-F392 HydrophobicContact CB-CG 4.29Å; K357-F392 HydrophobicContact CB-CZ 4.21Å; K357-F392 HydrophobicContact CD-CB 4.17Å; K357-F392 HydrophobicContact CD-CD1 4.03Å; K357-F392 HydrophobicContact CD-CG 4.21Å; K357-F392 HydrophobicContact CG-CD1 3.73Å; K357-F392 HydrophobicContact CG-CE1 3.97Å; K357-F392 HydrophobicContact CG-CG 4.22Å; Y360-F392 HydrophobicContact CD2-CZ 4.2Å; Y360-F392 HydrophobicContact CG-CZ 4.32Å; L387-F392 HydrophobicContact CB-CE2 3.92Å; L387-F392 HydrophobicContact CB-CZ 3.81Å; L387-F392 HydrophobicContact CD1-CE1 3.98Å; L387-F392 HydrophobicContact CD1-CZ 3.7Å; L387-F392 HydrophobicContact CG-CZ 4.41Å; P389-F392 PolarHBondContact O-N 2.89Å; A390-F392 PolarHBondContact O-N 2.91Å; F392-H394 VanDerWaalsContact C-N 3.3Å; F392-H394 PolarHBondContact O-N 3Å; F392-G395 PolarHBondContact O-N 2.92Å
393	R	89.6	Confident	93.9	Very high	57 Å²	57	27.7 Å²	27.7	22%	0.215	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-35.3	177.7	-170.4	-176.1	-59.8	120.4	5.8	112.6	D347 P389 A390	D347-R393 IonicContact OD1-NH2 3.85Å; D347-R393 PolarHBondContact OD1-NH2 2.89Å; D347-R393 VanDerWaalsContact OD1-NH2 3.13Å; D347-R393 IonicContact OD2-NH2 3.19Å; D347-R393 PolarHBondContact OD2-NH2 2.77Å; P389-R393 WeakPolarHBondContact O-CB 3.36Å; P389-R393 PolarHBondContact O-N 2.91Å; A390-R393 PolarHBondContact O-N 3.07Å
394	H	90.8	Very high	94	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.023	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.9	178.1	-59	-46.2	0	0	0	113.7	A390 F392 L396 P419 L422 L426 E484	A390-H394 WeakPolarHBondContact O-CB 3.47Å; A390-H394 PolarHBondContact O-CD2 3.05Å; A390-H394 PolarHBondContact O-N 3.16Å; F392-H394 VanDerWaalsContact C-N 3.3Å; F392-H394 PolarHBondContact O-N 3Å; H394-L396 VanDerWaalsContact C-N 3.3Å; H394-L396 HydrophobicContact CB-CD2 4.21Å; H394-L396 HydrophobicContact CB-CG 4.02Å; H394-L396 PolarHBondContact O-N 2.89Å; H394-P419 VanDerWaalsContact O-CD 3.24Å; H394-P419 WeakPolarHBondContact O-CD 3.45Å; H394-L422 WeakPolarHBondContact O-CD1 3.34Å; H394-L426 HydrophobicContact CB-CD1 4.14Å; H394-L426 HydrophobicContact CB-CD2 4.28Å; H394-E484 IonicContact CE1-OE1 2.8Å; H394-E484 IonicContact CE1-OE2 2.91Å
395	G	91.3	Very high	94.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.01	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	28.5	177.7	0	0	0	0	0	114.4	N127 F391 F392 P419	N127-G395 WeakPolarHBondContact OD1-CA 3.43Å; F391-G395 PolarHBondContact O-N 3.42Å; F392-G395 PolarHBondContact O-N 2.92Å; G395-P419 WeakPolarHBondContact O-CD 3.32Å
396	L	94.6	Very high	94.1	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	14%	0.138	C	C	.	.			trans	-72.7	154.9	-175.8	-57.2	-175	0	0	0	111.8	F391 H394 S417 M418 L426 F428 I490	F391-L396 HydrophobicContact CD1-CB 4.27Å; F391-L396 HydrophobicContact CD2-CB 3.71Å; F391-L396 HydrophobicContact CD2-CD1 4.04Å; F391-L396 HydrophobicContact CD2-CG 4.46Å; F391-L396 HydrophobicContact CE1-CB 4.18Å; F391-L396 WeakPolarHBondContact CE1-O 3.33Å; F391-L396 HydrophobicContact CE2-CB 3.62Å; F391-L396 HydrophobicContact CG-CB 4.02Å; F391-L396 HydrophobicContact CZ-CB 3.85Å; F391-L396 WeakPolarHBondContact CZ-O 3.44Å; F391-L396 PolarHBondContact O-N 2.85Å; H394-L396 VanDerWaalsContact C-N 3.3Å; H394-L396 HydrophobicContact CB-CD2 4.21Å; H394-L396 HydrophobicContact CB-CG 4.02Å; H394-L396 PolarHBondContact O-N 2.89Å; L396-S417 CarbonylContact C-O 3.47Å; L396-S417 VanDerWaalsContact CA-O 3.29Å; L396-S417 WeakPolarHBondContact CA-O 3.4Å; L396-M418 HydrophobicContact CD2-CB 3.7Å; L396-L426 HydrophobicContact CD2-CD1 4.28Å; L396-F428 HydrophobicContact CD1-CE1 4.18Å; L396-F428 HydrophobicContact CD2-CE1 4.36Å; L396-F428 HydrophobicContact CD2-CZ 4.23Å; L396-I490 HydrophobicContact CD1-CB 4.12Å; L396-I490 HydrophobicContact CD1-CD1 3.48Å; L396-I490 VanDerWaalsContact CD1-CD1 3.48Å; L396-I490 HydrophobicContact CD1-CG1 4.39Å; L396-I490 HydrophobicContact CD1-CG2 3.93Å
397	G	94.2	Very high	94.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.2	174.8	0	0	0	0	0	112.5	I119 L416 S417	I119-G397 CarbonylContact O-C 3.48Å; I119-G397 WeakPolarHBondContact O-CA 3.27Å; G397-L416 CarbonylContact O-C 3.47Å; G397-L416 WeakPolarHBondContact O-CA 3.29Å; G397-L416 WeakPolarHBondContact O-CB 3.49Å; G397-S417 VanDerWaalsContact CA-OG 3.24Å; G397-S417 WeakPolarHBondContact CA-OG 3.41Å; G397-S417 PolarHBondContact N-O 3.05Å; G397-S417 PolarHBondContact N-OG 3.38Å; G397-S417 PolarHBondContact O-N 3.31Å
398	L	95.8	Very high	94	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109.4	-176.4	-62.6	167	0	0	0	109.4	I119 N120 V385 L387 F391 Q402 L416 Y493	I119-L398 HydrophobicContact CB-CD1 4.32Å; I119-L398 HydrophobicContact CG2-CB 4Å; I119-L398 HydrophobicContact CG2-CD1 3.63Å; I119-L398 HydrophobicContact CG2-CG 3.56Å; I119-L398 PolarHBondContact O-N 3.38Å; N120-L398 WeakPolarHBondContact CA-O 3.27Å; N120-L398 PolarHBondContact OD1-O 3.45Å; V385-L398 HydrophobicContact CG1-CD1 3.47Å; V385-L398 VanDerWaalsContact CG1-CD1 3.47Å; V385-L398 HydrophobicContact CG1-CD2 4.25Å; L387-L398 HydrophobicContact CD2-CD1 4.43Å; L387-L398 HydrophobicContact CD2-CD2 4.37Å; F391-L398 HydrophobicContact CE2-CD2 3.96Å; F391-L398 HydrophobicContact CE2-CG 4.33Å; F391-L398 HydrophobicContact CZ-CD2 4.03Å; F391-L398 HydrophobicContact CZ-CG 3.87Å; L398-Q402 HydrophobicContact CB-CG 4.49Å; L398-Q402 HydrophobicContact CD1-CG 4.38Å; L398-L416 HydrophobicContact CD2-CD2 3.8Å; L398-Y493 VanDerWaalsContact CD2-OH 3.3Å; L398-Y493 WeakPolarHBondContact CD2-OH 3.44Å
399	L	95.1	Very high	93.9	Very high	76 Å²	76	33.7 Å²	33.7	40%	0.398	18%	0.18	S	C	.	.	S	Bend	trans	-97.4	-13.3	-177.7	-65.4	-179.8	0	0	0	114.5	N120 K415 T460	N120-L399 VanDerWaalsContact O-CD2 3.32Å; N120-L399 WeakPolarHBondContact O-CD2 2.87Å; L399-K415 HydrophobicContact CB-CB 4.16Å; L399-K415 HydrophobicContact CB-CG 4.28Å; L399-K415 WeakPolarHBondContact CB-O 3.21Å; L399-K415 HydrophobicContact CD1-CD 4.41Å; L399-K415 HydrophobicContact CD1-CG 4.09Å; L399-K415 PolarHBondContact N-O 2.81Å; L399-T460 HydrophobicContact CD1-CG2 3.44Å; L399-T460 VanDerWaalsContact CD1-CG2 3.44Å
400	S	95.3	Very high	93.8	Very high	53 Å²	53	36.2 Å²	36.2	37%	0.371	19%	0.193	S	C	.	.	S	Bend	trans	-127.9	-43.3	-173.5	56.4	0	0	0	0	114.8	I414 K415	S400-I414 WeakPolarHBondContact OG-CA 3.3Å; S400-K415 PolarHBondContact OG-N 3.17Å; S400-K415 PolarHBondContact OG-O 2.71Å
401	H	95.6	Very high	94	Very high	52 Å²	52	41.5 Å²	41.5	24%	0.241	22%	0.215	C	C	.	.			trans	-133.1	128.3	-175.3	-61.6	82	0	0	0	110.1	I406 L412 V413 Y493	H401-I406 HydrophobicContact CB-CD1 3.81Å; H401-I406 HydrophobicContact CB-CG1 4.32Å; H401-L412 VanDerWaalsContact CE1-CD1 3.45Å; H401-L412 WeakPolarHBondContact CE1-CD1 3.28Å; H401-V413 PolarHBondContact CE1-O 2.66Å; H401-V413 VanDerWaalsContact CE1-O 3.25Å; H401-Y493 HydrophobicContact CB-CE1 3.98Å; H401-Y493 PolarHBondContact O-OH 3.33Å
402	Q	94	Very high	94.1	Very high	102 Å²	102	42 Å²	42	48%	0.477	22%	0.217	S	C	.	.			trans	-107	-24.7	174.9	-68.6	174.8	70.1	0	0	112.1	N120 V385 L398	N120-Q402 PolarHBondContact ND2-NE2 2.69Å; V385-Q402 WeakPolarHBondContact CG1-O 3.46Å; V385-Q402 PolarHBondContact N-O 2.78Å; L398-Q402 HydrophobicContact CB-CG 4.49Å; L398-Q402 HydrophobicContact CD1-CG 4.38Å
403	D	95.6	Very high	94.3	Very high	84 Å²	84	44.5 Å²	44.5	45%	0.449	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-83.6	144.8	177.8	-76.7	3	0	0	0	111.6	N383 Y493	N383-D403 CarbonylContact O-C 3.5Å; N383-D403 VanDerWaalsContact O-CA 3.29Å; N383-D403 WeakPolarHBondContact O-CA 3.38Å; D403-Y493 WeakPolarHBondContact O-CD1 3.45Å; D403-Y493 WeakPolarHBondContact O-CE1 3.33Å
404	C	96	Very high	94.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	22%	0.224	C	C	.	.	S	Bend	trans	-76.9	-20.2	-178.3	74	0	0	0	0	113.8	V263 N383 S384 R494	V263-C404 HydrophobicContact CG1-CB 3.67Å; N383-C404 PolarHBondContact O-N 2.74Å; N383-C404 PolarHBondContact O-SG 3.1Å; N383-C404 VanDerWaalsContact O-SG 3.39Å; S384-C404 WeakPolarHBondContact O-CB 3.38Å; C404-R494 PolarHBondContact O-N 3.47Å
405	V	96.8	Very high	95	Very high	32 Å²	32	44.9 Å²	44.9	19%	0.194	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.6	175	-176.3	0	0	0	0	109	R494 E496	V405-R494 CarbonylContact C-O 3.27Å; V405-R494 VanDerWaalsContact CA-O 3.3Å; V405-R494 WeakPolarHBondContact CA-O 3.32Å; V405-R494 HydrophobicContact CG2-CB 4.43Å; V405-E496 HydrophobicContact CG1-CG 4.17Å
406	I	97.2	Very high	95.3	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.6	178.8	-56.5	173	0	0	0	109	H401 A408 L412 I414 Y493 R494 V495 E496	H401-I406 HydrophobicContact CB-CD1 3.81Å; H401-I406 HydrophobicContact CB-CG1 4.32Å; I406-A408 HydrophobicContact CG2-CB 4.31Å; I406-L412 HydrophobicContact CD1-CD1 4.39Å; I406-L412 HydrophobicContact CD1-CD2 3.98Å; I406-L412 HydrophobicContact CG2-CD1 3.74Å; I406-L412 HydrophobicContact CG2-CD2 4.18Å; I406-I414 HydrophobicContact CD1-CD1 4.05Å; I406-Y493 HydrophobicContact CD1-CD1 3.49Å; I406-Y493 VanDerWaalsContact CD1-CD1 3.49Å; I406-Y493 HydrophobicContact CD1-CE1 3.91Å; I406-Y493 HydrophobicContact CD1-CG 3.95Å; I406-Y493 HydrophobicContact CG1-CD1 4.04Å; I406-R494 PolarHBondContact N-O 3Å; I406-V495 HydrophobicContact CB-CG1 4.49Å; I406-V495 HydrophobicContact CB-CG2 4.49Å; I406-V495 CarbonylContact O-C 3.59Å; I406-V495 WeakPolarHBondContact O-CA 3.44Å; I406-E496 PolarHBondContact O-N 2.86Å
407	L	96	Very high	95.3	Very high	122 Å²	122	44.8 Å²	44.8	64%	0.639	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.1	169.7	-55.7	-175.2	0	0	0	108.5	E496	L407-E496 HydrophobicContact CD2-CB 3.82Å; L407-E496 HydrophobicContact CD2-CG 4.36Å
408	A	93.7	Very high	95.3	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.041	24%	0.237	C	C	.	.			trans	-144.8	105.1	-175.9	0	0	0	0	0	110.7	I406 N410 L412 F467 V495 E496 S497	I406-A408 HydrophobicContact CG2-CB 4.31Å; A408-N410 PolarHBondContact O-N 3.5Å; A408-L412 HydrophobicContact CB-CB 3.99Å; A408-L412 HydrophobicContact CB-CD1 4.44Å; A408-F467 HydrophobicContact CB-CD2 4.36Å; A408-F467 HydrophobicContact CB-CE2 3.76Å; A408-V495 HydrophobicContact CB-CG1 3.72Å; A408-E496 PolarHBondContact N-O 3.02Å; A408-E496 VanDerWaalsContact N-O 3.16Å; A408-S497 VanDerWaalsContact O-CA 3.31Å; A408-S497 WeakPolarHBondContact O-CA 3.26Å
409	P	89.6	Confident	95.1	Very high	66 Å²	66	45.4 Å²	45.4	43%	0.429	24%	0.241	S	C	.	.	S	Bend	trans	-55.2	-59.2	-170.5	-28.1	35.3	0	0	0	114	S497 K498	P409-S497 PolarHBondContact O-OG 3.39Å; P409-K498 CarbonylContact C-O 3.47Å; P409-K498 WeakPolarHBondContact CA-O 3.37Å
410	N	90.8	Very high	94.9	Very high	69 Å²	69	49.1 Å²	49.1	37%	0.369	25%	0.254	S	S	.	.	S	Bend	trans	-133.7	-22.7	-175.2	62.5	-10.7	0	0	0	114.3	A408 R466 F467	A408-N410 PolarHBondContact O-N 3.5Å; N410-R466 CarbonylContact O-C 3.58Å; N410-R466 VanDerWaalsContact O-CA 3.31Å; N410-R466 WeakPolarHBondContact O-CA 3.41Å; N410-F467 PolarHBondContact O-N 3.18Å
411	K	94.6	Very high	94.7	Very high	114 Å²	114	52.2 Å²	52.2	50%	0.496	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.4	-178.3	-65.3	-178.4	179.6	-179.1	0	110.6	F465 I535	K411-F465 VanDerWaalsContact CA-O 3.27Å; K411-F465 WeakPolarHBondContact CA-O 3.24Å; K411-I535 HydrophobicContact CD-CD1 4.32Å; K411-I535 HydrophobicContact CG-CD1 3.85Å
412	L	96.8	Very high	94.5	Very high	10 Å²	10	50.4 Å²	50.4	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.7	173.6	172.2	61.5	0	0	0	110.4	H401 I406 A408 I414 H464 F465 F467 V495	H401-L412 VanDerWaalsContact CE1-CD1 3.45Å; H401-L412 WeakPolarHBondContact CE1-CD1 3.28Å; I406-L412 HydrophobicContact CD1-CD1 4.39Å; I406-L412 HydrophobicContact CD1-CD2 3.98Å; I406-L412 HydrophobicContact CG2-CD1 3.74Å; I406-L412 HydrophobicContact CG2-CD2 4.18Å; A408-L412 HydrophobicContact CB-CB 3.99Å; A408-L412 HydrophobicContact CB-CD1 4.44Å; L412-I414 HydrophobicContact CD1-CG1 4.32Å; L412-I414 HydrophobicContact CD2-CD1 4.01Å; L412-I414 HydrophobicContact CD2-CG1 4Å; L412-I414 HydrophobicContact CG-CG1 3.96Å; L412-H464 WeakPolarHBondContact O-CA 3.4Å; L412-F465 HydrophobicContact CB-CB 4.34Å; L412-F465 PolarHBondContact N-O 3.13Å; L412-F465 PolarHBondContact O-N 3.33Å; L412-F467 HydrophobicContact CB-CE2 3.59Å; L412-F467 HydrophobicContact CB-CZ 3.72Å; L412-F467 HydrophobicContact CD2-CZ 4.08Å; L412-V495 HydrophobicContact CD2-CG1 4.13Å; L412-V495 HydrophobicContact CD2-CG2 3.68Å
413	V	96.9	Very high	94.3	Very high	69 Å²	69	46.7 Å²	46.7	42%	0.418	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.4	172.1	-176.5	0	0	0	0	109.1	H401 T462 F463	H401-V413 PolarHBondContact CE1-O 2.66Å; H401-V413 VanDerWaalsContact CE1-O 3.25Å; V413-T462 HydrophobicContact CG1-CG2 3.43Å; V413-T462 VanDerWaalsContact CG1-CG2 3.43Å; V413-F463 CarbonylContact C-O 3.58Å; V413-F463 VanDerWaalsContact CA-O 3.31Å; V413-F463 WeakPolarHBondContact CA-O 2.95Å
414	I	97.9	Very high	93.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.1	173.3	-55.3	-169.4	0	0	0	109	S400 I406 L412 L416 F463 F465 L475 L477 Y493	S400-I414 WeakPolarHBondContact OG-CA 3.3Å; I406-I414 HydrophobicContact CD1-CD1 4.05Å; L412-I414 HydrophobicContact CD1-CG1 4.32Å; L412-I414 HydrophobicContact CD2-CD1 4.01Å; L412-I414 HydrophobicContact CD2-CG1 4Å; L412-I414 HydrophobicContact CG-CG1 3.96Å; I414-L416 HydrophobicContact CG2-CD2 4.21Å; I414-F463 HydrophobicContact CB-CB 4.42Å; I414-F463 PolarHBondContact N-O 3.25Å; I414-F463 PolarHBondContact O-N 2.95Å; I414-F465 HydrophobicContact CD1-CE2 4.43Å; I414-F465 HydrophobicContact CG1-CE2 4.4Å; I414-L475 HydrophobicContact CD1-CD2 3.51Å; I414-L477 HydrophobicContact CG2-CD1 4.05Å; I414-Y493 HydrophobicContact CD1-CD2 3.72Å; I414-Y493 HydrophobicContact CD1-CE2 3.71Å; I414-Y493 HydrophobicContact CD1-CG 4.24Å; I414-Y493 HydrophobicContact CG2-CE2 4.3Å
415	K	96.9	Very high	93.6	Very high	70 Å²	70	48.3 Å²	48.3	30%	0.304	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.5	175.3	-160.9	168.2	-174.6	166.2	0	111.1	L399 S400 T460 V461 T462	L399-K415 HydrophobicContact CB-CB 4.16Å; L399-K415 HydrophobicContact CB-CG 4.28Å; L399-K415 WeakPolarHBondContact CB-O 3.21Å; L399-K415 HydrophobicContact CD1-CD 4.41Å; L399-K415 HydrophobicContact CD1-CG 4.09Å; L399-K415 PolarHBondContact N-O 2.81Å; S400-K415 PolarHBondContact OG-N 3.17Å; S400-K415 PolarHBondContact OG-O 2.71Å; K415-T460 WeakPolarHBondContact CE-OG1 3.17Å; K415-V461 WeakPolarHBondContact CA-O 3.17Å; K415-T462 HydrophobicContact CB-CG2 4.39Å; K415-T462 HydrophobicContact CG-CG2 4.41Å
416	L	97.2	Very high	93.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.9	174.7	-51.4	178.3	0	0	0	110.4	G397 L398 I414 T460 V461 F463 L477 I490	G397-L416 CarbonylContact O-C 3.47Å; G397-L416 WeakPolarHBondContact O-CA 3.29Å; G397-L416 WeakPolarHBondContact O-CB 3.49Å; L398-L416 HydrophobicContact CD2-CD2 3.8Å; I414-L416 HydrophobicContact CG2-CD2 4.21Å; L416-T460 CarbonylContact O-C 3.53Å; L416-T460 WeakPolarHBondContact O-CA 3.39Å; L416-T460 VanDerWaalsContact O-CB 3.28Å; L416-T460 WeakPolarHBondContact O-CB 3.4Å; L416-V461 HydrophobicContact CB-CG1 3.75Å; L416-V461 HydrophobicContact CD1-CG1 4.23Å; L416-V461 HydrophobicContact CG-CG1 4.27Å; L416-V461 PolarHBondContact N-O 2.62Å; L416-V461 PolarHBondContact O-N 2.76Å; L416-F463 HydrophobicContact CD1-CE2 4.09Å; L416-L477 HydrophobicContact CD1-CD1 4.15Å; L416-I490 HydrophobicContact CD1-CD1 3.74Å
417	S	95.5	Very high	93.2	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	154.5	169.3	57.4	0	0	0	0	111.7	P122 L396 G397	P122-S417 WeakPolarHBondContact CD-OG 3.42Å; L396-S417 CarbonylContact C-O 3.47Å; L396-S417 VanDerWaalsContact CA-O 3.29Å; L396-S417 WeakPolarHBondContact CA-O 3.4Å; G397-S417 VanDerWaalsContact CA-OG 3.24Å; G397-S417 WeakPolarHBondContact CA-OG 3.41Å; G397-S417 PolarHBondContact N-O 3.05Å; G397-S417 PolarHBondContact N-OG 3.38Å; G397-S417 PolarHBondContact O-N 3.31Å
418	M	93.7	Very high	93.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.234	C	C	.	.			trans	-138.1	163.6	170.5	74.1	-163.6	82	0	0	111.1	L396 T423 L426 F428 L454 A459 V461	L396-M418 HydrophobicContact CD2-CB 3.7Å; M418-T423 HydrophobicContact CG-CG2 4.21Å; M418-T423 HydrophobicContact SD-CG2 4.21Å; M418-L426 HydrophobicContact CB-CD1 4.37Å; M418-L426 HydrophobicContact SD-CD1 4.34Å; M418-F428 HydrophobicContact CE-CE2 3.75Å; M418-F428 HydrophobicContact CE-CZ 3.89Å; M418-F428 HydrophobicContact SD-CE2 4Å; M418-F428 HydrophobicContact SD-CZ 4.15Å; M418-L454 HydrophobicContact CE-CD2 3.9Å; M418-A459 HydrophobicContact CG-CB 4.41Å; M418-A459 PolarHBondContact N-O 3.44Å; M418-A459 WeakPolarHBondContact O-CB 3.29Å; M418-V461 HydrophobicContact CE-CB 3.9Å; M418-V461 HydrophobicContact CE-CG1 4.14Å
419	P	92.4	Very high	93.1	Very high	15 Å²	15	47 Å²	47	10%	0.097	25%	0.247	C	C	.	.			trans	-62.2	136.2	172.3	-21.9	34.2	0	0	0	111.5	H394 G395 T421 L422	H394-P419 VanDerWaalsContact O-CD 3.24Å; H394-P419 WeakPolarHBondContact O-CD 3.45Å; G395-P419 WeakPolarHBondContact O-CD 3.32Å; P419-T421 PolarHBondContact O-N 2.79Å; P419-T421 VanDerWaalsContact O-N 3.11Å; P419-L422 HydrophobicContact CB-CD1 4.38Å; P419-L422 HydrophobicContact CB-CG 4.28Å; P419-L422 HydrophobicContact CG-CD1 4.03Å; P419-L422 HydrophobicContact CG-CG 4.47Å; P419-L422 PolarHBondContact O-N 2.89Å
420	K	91.1	Very high	93.4	Very high	153 Å²	153	44.8 Å²	44.8	67%	0.665	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-52.6	-36.2	179.9	-73.8	-168.8	170.8	-163.7	0	113.3	L422 T423 A459	K420-L422 PolarHBondContact O-N 2.84Å; K420-T423 WeakPolarHBondContact O-CG2 3.3Å; K420-T423 PolarHBondContact O-N 3.13Å; K420-T423 PolarHBondContact O-OG1 3.24Å; K420-A459 HydrophobicContact CG-CB 3.79Å
421	T	90.8	Very high	93.6	Very high	119 Å²	119	43 Å²	43	73%	0.73	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-66.8	-12.4	178	50.4	0	0	0	0	114.6	P419	P419-T421 PolarHBondContact O-N 2.79Å; P419-T421 VanDerWaalsContact O-N 3.11Å
422	L	91	Very high	93.6	Very high	13 Å²	13	38 Å²	38	7%	0.068	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-105.6	-6.8	-178	-64.1	-173.4	0	0	0	114	H394 P419 K420 D424 T425 L426	H394-L422 WeakPolarHBondContact O-CD1 3.34Å; P419-L422 HydrophobicContact CB-CD1 4.38Å; P419-L422 HydrophobicContact CB-CG 4.28Å; P419-L422 HydrophobicContact CG-CD1 4.03Å; P419-L422 HydrophobicContact CG-CG 4.47Å; P419-L422 PolarHBondContact O-N 2.89Å; K420-L422 PolarHBondContact O-N 2.84Å; L422-D424 VanDerWaalsContact C-N 3.29Å; L422-D424 PolarHBondContact O-N 2.91Å; L422-T425 WeakPolarHBondContact CA-OG1 3.39Å; L422-T425 CarbonylContact O-C 3.54Å; L422-T425 PolarHBondContact O-N 2.87Å; L422-T425 PolarHBondContact O-OG1 3.01Å; L422-L426 HydrophobicContact CB-CD1 3.76Å; L422-L426 HydrophobicContact CB-CG 3.99Å; L422-L426 HydrophobicContact CD1-CD1 4Å; L422-L426 HydrophobicContact CD1-CG 4.49Å; L422-L426 PolarHBondContact O-N 3.11Å
423	T	89.8	Confident	93.4	Very high	25 Å²	25	43 Å²	43	15%	0.153	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.2	-175.6	52.4	0	0	0	0	114.8	M418 K420 A459	M418-T423 HydrophobicContact CG-CG2 4.21Å; M418-T423 HydrophobicContact SD-CG2 4.21Å; K420-T423 WeakPolarHBondContact O-CG2 3.3Å; K420-T423 PolarHBondContact O-N 3.13Å; K420-T423 PolarHBondContact O-OG1 3.24Å; T423-A459 HydrophobicContact CG2-CB 3.74Å
424	D	87.1	Confident	93.1	Very high	79 Å²	79	42.2 Å²	42.2	42%	0.422	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2.1	175.4	-75.9	-43.6	0	0	0	114	L422 K456 I482	L422-D424 VanDerWaalsContact C-N 3.29Å; L422-D424 PolarHBondContact O-N 2.91Å; D424-K456 WeakPolarHBondContact OD1-CE 3.16Å; D424-K456 IonicContact OD1-NZ 3.82Å; D424-K456 PolarHBondContact OD1-NZ 2.69Å; D424-I482 WeakPolarHBondContact O-CD1 3.2Å
425	T	90.4	Very high	92.5	Very high	40 Å²	40	45.7 Å²	45.7	25%	0.245	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-12.8	-172.9	71.7	0	0	0	0	115	L422 R481 I482	L422-T425 WeakPolarHBondContact CA-OG1 3.39Å; L422-T425 CarbonylContact O-C 3.54Å; L422-T425 PolarHBondContact O-N 2.87Å; L422-T425 PolarHBondContact O-OG1 3.01Å; T425-R481 CarbonylContact O-C 3.49Å; T425-R481 VanDerWaalsContact O-CA 3.29Å; T425-R481 WeakPolarHBondContact O-CA 3.48Å; T425-I482 WeakPolarHBondContact O-CG1 3.37Å; T425-I482 PolarHBondContact O-N 3.24Å
426	L	92.8	Very high	91.4	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.8	173.5	-73.7	175.8	0	0	0	110.8	H394 L396 M418 L422 F428 R481	H394-L426 HydrophobicContact CB-CD1 4.14Å; H394-L426 HydrophobicContact CB-CD2 4.28Å; L396-L426 HydrophobicContact CD2-CD1 4.28Å; M418-L426 HydrophobicContact CB-CD1 4.37Å; M418-L426 HydrophobicContact SD-CD1 4.34Å; L422-L426 HydrophobicContact CB-CD1 3.76Å; L422-L426 HydrophobicContact CB-CG 3.99Å; L422-L426 HydrophobicContact CD1-CD1 4Å; L422-L426 HydrophobicContact CD1-CG 4.49Å; L422-L426 PolarHBondContact O-N 3.11Å; L426-F428 HydrophobicContact CB-CE2 3.76Å; L426-F428 HydrophobicContact CB-CZ 4.08Å; L426-F428 HydrophobicContact CD1-CZ 4.13Å; L426-R481 HydrophobicContact CD2-CB 4.19Å; L426-R481 HydrophobicContact CD2-CG 4.48Å
427	K	92.3	Very high	90	Very high	71 Å²	71	53.5 Å²	53.5	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.8	166.6	-61.1	-178.3	-176.4	177.7	0	108.7	A479 Q480 F487 E550	K427-A479 CarbonylContact O-C 3.55Å; K427-A479 VanDerWaalsContact O-CA 3.29Å; K427-A479 WeakPolarHBondContact O-CA 3.49Å; K427-Q480 PolarHBondContact N-O 3.42Å; K427-Q480 PolarHBondContact O-N 3.06Å; K427-F487 HydrophobicContact CB-CE1 3.95Å; K427-F487 HydrophobicContact CB-CZ 3.91Å; K427-E550 WeakPolarHBondContact CE-OE1 3.48Å; K427-E550 IonicContact NZ-OE1 3.26Å; K427-E550 PolarHBondContact NZ-OE1 3Å
428	F	94.4	Very high	88.4	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.3	178.8	-65.5	-91.8	0	0	0	111.2	L396 M418 L426 H452 L454 V461 F463 Y478 A479 I490	L396-F428 HydrophobicContact CD1-CE1 4.18Å; L396-F428 HydrophobicContact CD2-CE1 4.36Å; L396-F428 HydrophobicContact CD2-CZ 4.23Å; M418-F428 HydrophobicContact CE-CE2 3.75Å; M418-F428 HydrophobicContact CE-CZ 3.89Å; M418-F428 HydrophobicContact SD-CE2 4Å; M418-F428 HydrophobicContact SD-CZ 4.15Å; L426-F428 HydrophobicContact CB-CE2 3.76Å; L426-F428 HydrophobicContact CB-CZ 4.08Å; L426-F428 HydrophobicContact CD1-CZ 4.13Å; F428-H452 PolarHBondContact O-CE1 3.38Å; F428-H452 VanDerWaalsContact O-CE1 3.24Å; F428-H452 PolarHBondContact O-NE2 2.92Å; F428-L454 HydrophobicContact CD2-CD2 3.75Å; F428-L454 HydrophobicContact CE2-CD2 3.86Å; F428-V461 HydrophobicContact CB-CG2 4.3Å; F428-V461 HydrophobicContact CD1-CG1 4.09Å; F428-V461 HydrophobicContact CD1-CG2 4.49Å; F428-V461 HydrophobicContact CD2-CB 4.24Å; F428-V461 HydrophobicContact CD2-CG1 4.46Å; F428-V461 HydrophobicContact CD2-CG2 4.12Å; F428-V461 HydrophobicContact CE1-CG1 3.86Å; F428-V461 HydrophobicContact CE2-CB 4.21Å; F428-V461 HydrophobicContact CE2-CG1 4.25Å; F428-V461 HydrophobicContact CG-CB 4.44Å; F428-V461 HydrophobicContact CG-CG1 4.38Å; F428-V461 HydrophobicContact CG-CG2 4.05Å; F428-V461 HydrophobicContact CZ-CB 4.4Å; F428-V461 HydrophobicContact CZ-CG1 3.94Å; F428-F463 HydrophobicContact CB-CE1 4.35Å; F428-F463 HydrophobicContact CB-CZ 3.93Å; F428-F463 HydrophobicContact CD1-CZ 4.09Å; F428-F463 HydrophobicContact CG-CZ 4.3Å; F428-Y478 WeakPolarHBondContact CA-O 3.45Å; F428-A479 HydrophobicContact CD1-CB 3.98Å; F428-A479 HydrophobicContact CE1-CB 3.89Å; F428-I490 HydrophobicContact CD1-CD1 4.3Å; F428-I490 HydrophobicContact CE1-CD1 4.24Å
429	T	93.9	Very high	86.8	Confident	52 Å²	52	64.9 Å²	64.9	32%	0.319	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	173.6	167.8	-168.6	0	0	0	0	109.4	Y478 F487	T429-Y478 HydrophobicContact CG2-CD2 4.14Å; T429-Y478 HydrophobicContact CG2-CG 4.22Å; T429-Y478 PolarHBondContact N-O 2.62Å; T429-Y478 VanDerWaalsContact N-O 3.13Å; T429-Y478 PolarHBondContact O-N 3.27Å; T429-F487 HydrophobicContact CG2-CB 4.39Å; T429-F487 HydrophobicContact CG2-CD1 3.59Å; T429-F487 HydrophobicContact CG2-CD2 4.26Å; T429-F487 HydrophobicContact CG2-CE1 3.81Å; T429-F487 HydrophobicContact CG2-CE2 4.45Å; T429-F487 HydrophobicContact CG2-CG 3.83Å; T429-F487 HydrophobicContact CG2-CZ 4.24Å
430	F	95.4	Very high	84.9	Confident	21 Å²	21	72 Å²	72	9%	0.092	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164	-179.5	65.6	-91.8	0	0	0	111.2	L432 G450 F463 F465 L475 T476 L477	F430-L432 HydrophobicContact CD2-CB 4.43Å; F430-G450 VanDerWaalsContact CZ-O 3.26Å; F430-G450 WeakPolarHBondContact CZ-O 3.23Å; F430-F463 HydrophobicContact CB-CD1 4.37Å; F430-F463 HydrophobicContact CB-CE1 4.35Å; F430-F463 HydrophobicContact CD1-CD1 4.28Å; F430-F465 HydrophobicContact CB-CE1 4.23Å; F430-F465 HydrophobicContact CB-CZ 4.17Å; F430-F465 HydrophobicContact CD1-CE1 4.19Å; F430-F465 AromaticContact CD2-CE1 3.62Å; F430-F465 HydrophobicContact CD2-CE1 3.62Å; F430-F465 HydrophobicContact CD2-CZ 4.4Å; F430-F465 HydrophobicContact CE2-CE1 4.02Å; F430-F465 AromaticContact CG-CE1 3.73Å; F430-F465 HydrophobicContact CG-CE1 3.73Å; F430-F465 HydrophobicContact CG-CZ 4.1Å; F430-F465 HydrophobicContact CZ-CE1 4.49Å; F430-L475 HydrophobicContact CB-CD1 4.33Å; F430-T476 CarbonylContact C-O 3.55Å; F430-T476 VanDerWaalsContact CA-O 3.28Å; F430-T476 WeakPolarHBondContact CA-O 3.14Å; F430-L477 HydrophobicContact CB-CD2 3.78Å
431	N	94.2	Very high	83.2	Confident	32 Å²	32	69.1 Å²	69.1	17%	0.171	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.6	167.8	-169.1	-13.1	0	0	0	107.8	N330 T476 Y478	N330-N431 PolarHBondContact OD1-ND2 3.44Å; N431-T476 PolarHBondContact N-O 3.45Å; N431-T476 PolarHBondContact O-N 2.89Å; N431-Y478 HydrophobicContact CB-CE2 3.64Å
432	L	94.4	Very high	82	Confident	9 Å²	9	71 Å²	71	5%	0.047	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.3	179.2	-178.6	64.4	0	0	0	108.2	F430 L446 F465 F467 Y473 L475	F430-L432 HydrophobicContact CD2-CB 4.43Å; L432-L446 HydrophobicContact CB-CB 4.21Å; L432-L446 HydrophobicContact CD2-CB 4.29Å; L432-L446 HydrophobicContact CD2-CD2 4.46Å; L432-L446 HydrophobicContact CG-CB 4.25Å; L432-L446 HydrophobicContact CG-CD1 4.39Å; L432-L446 WeakPolarHBondContact O-CB 3.22Å; L432-L446 WeakPolarHBondContact O-CD1 3.26Å; L432-F465 HydrophobicContact CD2-CD1 4.34Å; L432-F467 HydrophobicContact CD1-CE1 4.23Å; L432-F467 HydrophobicContact CD2-CE1 4.46Å; L432-Y473 HydrophobicContact CD1-CD1 3.9Å; L432-Y473 HydrophobicContact CD1-CG 4.26Å; L432-Y473 HydrophobicContact CD2-CD1 4.48Å; L432-Y473 HydrophobicContact CG-CD1 4.08Å; L432-L475 HydrophobicContact CD1-CB 4.21Å; L432-L475 HydrophobicContact CD1-CD1 4.35Å
433	K	92.4	Very high	81.1	Confident	115 Å²	115	72.5 Å²	72.5	50%	0.5	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.1	179.7	-62.3	-174.1	179.8	-174.6	0	109.9	Y473 K474	K433-Y473 CarbonylContact O-C 3.57Å; K433-Y473 WeakPolarHBondContact O-CA 3.35Å; K433-K474 PolarHBondContact N-O 3.41Å; K433-K474 PolarHBondContact O-N 3.33Å
434	Y	91.1	Very high	80.5	Confident	51 Å²	51	73.4 Å²	73.4	20%	0.2	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.1	171.8	179.6	-110.8	0	0	0	109.8	L443 K469 P470 Y473	Y434-L443 HydrophobicContact CD1-CD2 4.07Å; Y434-L443 HydrophobicContact CD2-CD2 4.27Å; Y434-L443 HydrophobicContact CG-CD2 3.79Å; Y434-K469 HydrophobicContact CE1-CD 4.41Å; Y434-K469 HydrophobicContact CE2-CD 4.42Å; Y434-K469 VanDerWaalsContact OH-CE 3.27Å; Y434-K469 WeakPolarHBondContact OH-CE 3.01Å; Y434-P470 PolarHBondContact OH-O 3.33Å; Y434-Y473 HydrophobicContact CD2-CD1 4.22Å; Y434-Y473 HydrophobicContact CD2-CD2 4.37Å; Y434-Y473 AromaticContact CD2-CE1 3.76Å; Y434-Y473 HydrophobicContact CD2-CE1 3.76Å; Y434-Y473 AromaticContact CD2-CE2 3.93Å; Y434-Y473 HydrophobicContact CD2-CE2 3.93Å; Y434-Y473 AromaticContact CD2-CZ 3.61Å; Y434-Y473 HydrophobicContact CE2-CE2 4.35Å; Y434-Y473 HydrophobicContact CG-CE1 4.31Å
435	E	85.6	Confident	80.3	Confident	74 Å²	74	74.5 Å²	74.5	35%	0.346	38%	0.384	S	S	.	.			trans	-120.1	53.9	-178.9	-64.3	-170.5	156.5	0	0	110.2	G472 K474 R494	E435-G472 PolarHBondContact N-O 3.05Å; E435-K474 HydrophobicContact CG-CB 4.11Å; E435-K474 VanDerWaalsContact OE1-CB 3.3Å; E435-K474 WeakPolarHBondContact OE1-CB 3.49Å; E435-R494 IonicContact OE2-CZ 3.2Å; E435-R494 IonicContact OE2-NH1 2.76Å; E435-R494 PolarHBondContact OE2-NH1 3.46Å
436	G	73.9	Confident	80.3	Confident	26 Å²	26	73.4 Å²	73.4	27%	0.268	38%	0.376	S	S	.	.			trans	-91	166.3	172.5	0	0	0	0	0	113	D438	G436-D438 VanDerWaalsContact C-N 3.32Å
437	K	66.8	Low	80.1	Confident	208 Å²	208	76.1 Å²	76.1	90%	0.904	40%	0.396	S	S	*	.	S	Bend	trans	-79.1	-14.7	172.4	-66.4	-179	-179.6	179	0	113.6	D439	K437-D439 PolarHBondContact O-N 2.9Å
438	D	63.2	Low	80	Confident	91 Å²	91	77.2 Å²	77.2	49%	0.487	40%	0.402	S	S	.	.			trans	-87.1	76.6	-177.4	-54.8	-32.1	0	0	0	111	G436 N440 K469	G436-D438 VanDerWaalsContact C-N 3.32Å; D438-N440 PolarHBondContact O-N 2.84Å; D438-N440 VanDerWaalsContact O-N 3.12Å; D438-K469 IonicContact OD2-NZ 2.72Å; D438-K469 PolarHBondContact OD2-NZ 3.46Å
439	D	58.8	Low	79.9	Confident	153 Å²	153	76.8 Å²	76.8	82%	0.818	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.3	172.9	-72.7	-26.2	0	0	0	113	K437	K437-D439 PolarHBondContact O-N 2.9Å
440	N	52.5	Low	79.9	Confident	164 Å²	164	74.6 Å²	74.6	88%	0.877	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	6.9	-171	-80.3	-5.9	0	0	0	115.3	D438	D438-N440 PolarHBondContact O-N 2.84Å; D438-N440 VanDerWaalsContact O-N 3.12Å
441	L	56.5	Low	79.7	Confident	93 Å²	93	73.6 Å²	73.6	49%	0.487	38%	0.383	S	S	.	.	S	Bend	trans	-115	115.6	176.5	-157	77.2	0	0	0	110.2	L443 K469	L441-L443 VanDerWaalsContact C-N 3.31Å; L441-L443 HydrophobicContact CD2-CD1 4.4Å; L441-L443 PolarHBondContact O-N 3.31Å; L441-K469 HydrophobicContact CD2-CD 4.44Å
442	D	65.8	Low	79.7	Confident	160 Å²	160	72.5 Å²	72.5	86%	0.856	38%	0.377	S	S	*	.			trans	-64.5	87.6	175.9	-72.7	-42.1	0	0	0	110.4
443	L	72.5	Confident	79.5	Confident	44 Å²	44	73.6 Å²	73.6	23%	0.23	38%	0.382	C	S	.	.			trans	-65.3	137.8	168.9	-108.1	73.3	0	0	0	109.2	Y434 L441 L446 K469	Y434-L443 HydrophobicContact CD1-CD2 4.07Å; Y434-L443 HydrophobicContact CD2-CD2 4.27Å; Y434-L443 HydrophobicContact CG-CD2 3.79Å; L441-L443 VanDerWaalsContact C-N 3.31Å; L441-L443 HydrophobicContact CD2-CD1 4.4Å; L441-L443 PolarHBondContact O-N 3.31Å; L443-L446 HydrophobicContact CD2-CD1 4.43Å; L443-L446 HydrophobicContact CD2-CD2 4.22Å; L443-K469 HydrophobicContact CD1-CD 4.21Å
444	P	77	Confident	79.4	Confident	44 Å²	44	70.3 Å²	70.3	29%	0.286	37%	0.37	S	S	.	.			trans	-61.1	163	172.2	27.8	-36.2	0	0	0	111.1	L446 F449 L533	P444-L446 PolarHBondContact O-N 3.33Å; P444-F449 HydrophobicContact CB-CE2 4.14Å; P444-F449 HydrophobicContact CG-CE2 3.57Å; P444-F449 HydrophobicContact CG-CZ 3.87Å; P444-L533 HydrophobicContact CG-CD1 4.4Å; P444-L533 HydrophobicContact CG-CD2 4.26Å
445	N	83.2	Confident	79.3	Confident	102 Å²	102	69.1 Å²	69.1	55%	0.545	37%	0.369	S	S	.	.			trans	-58.1	109.1	178.5	179.1	5.8	0	0	0	111.2	S447 Q448	N445-S447 VanDerWaalsContact CG-OG 3.3Å; N445-S447 PolarHBondContact ND2-OG 3.46Å; N445-S447 PolarHBondContact O-N 3.35Å; N445-S447 WeakPolarHBondContact OD1-CB 3.12Å; N445-S447 PolarHBondContact OD1-N 3.26Å; N445-S447 PolarHBondContact OD1-OG 3.2Å; N445-Q448 PolarHBondContact O-N 3.05Å
446	L	90.2	Very high	79.3	Confident	16 Å²	16	71 Å²	71	8%	0.084	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-62.5	-11.7	-177.5	-70.5	174.1	0	0	0	114	L432 L443 P444 Q448 F449 P468 Y473	L432-L446 HydrophobicContact CB-CB 4.21Å; L432-L446 HydrophobicContact CD2-CB 4.29Å; L432-L446 HydrophobicContact CD2-CD2 4.46Å; L432-L446 HydrophobicContact CG-CB 4.25Å; L432-L446 HydrophobicContact CG-CD1 4.39Å; L432-L446 WeakPolarHBondContact O-CB 3.22Å; L432-L446 WeakPolarHBondContact O-CD1 3.26Å; L443-L446 HydrophobicContact CD2-CD1 4.43Å; L443-L446 HydrophobicContact CD2-CD2 4.22Å; P444-L446 PolarHBondContact O-N 3.33Å; L446-Q448 PolarHBondContact O-N 3.19Å; L446-F449 HydrophobicContact CD2-CD2 4.27Å; L446-F449 HydrophobicContact CD2-CG 4.46Å; L446-F449 PolarHBondContact O-N 2.99Å; L446-F449 VanDerWaalsContact O-N 3.09Å; L446-P468 HydrophobicContact CD2-CG 3.87Å; L446-Y473 HydrophobicContact CD1-CD1 4.3Å; L446-Y473 HydrophobicContact CD1-CE1 4.03Å; L446-Y473 HydrophobicContact CD2-CE1 4.04Å
447	S	88.3	Confident	79.8	Confident	63 Å²	63	76 Å²	76	44%	0.441	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22.8	169.9	79.6	0	0	0	0	113.3	N445 F449	N445-S447 VanDerWaalsContact CG-OG 3.3Å; N445-S447 PolarHBondContact ND2-OG 3.46Å; N445-S447 PolarHBondContact O-N 3.35Å; N445-S447 WeakPolarHBondContact OD1-CB 3.12Å; N445-S447 PolarHBondContact OD1-N 3.26Å; N445-S447 PolarHBondContact OD1-OG 3.2Å; S447-F449 VanDerWaalsContact C-N 3.29Å
448	Q	89.9	Confident	81	Confident	94 Å²	94	69.3 Å²	69.3	44%	0.439	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-81.7	-10	176	-59.1	179	-2.2	0	0	113.1	N445 L446 P537 F538	N445-Q448 PolarHBondContact O-N 3.05Å; L446-Q448 PolarHBondContact O-N 3.19Å; Q448-P537 HydrophobicContact CB-CB 3.87Å; Q448-P537 WeakPolarHBondContact O-CB 3.46Å; Q448-F538 PolarHBondContact O-N 2.94Å
449	F	93	Very high	82.4	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-101	7.3	-180	-70.3	-95.4	0	0	0	112.5	P444 L446 S447 F465 R466 P468 L533 P537	P444-F449 HydrophobicContact CB-CE2 4.14Å; P444-F449 HydrophobicContact CG-CE2 3.57Å; P444-F449 HydrophobicContact CG-CZ 3.87Å; L446-F449 HydrophobicContact CD2-CD2 4.27Å; L446-F449 HydrophobicContact CD2-CG 4.46Å; L446-F449 PolarHBondContact O-N 2.99Å; L446-F449 VanDerWaalsContact O-N 3.09Å; S447-F449 VanDerWaalsContact C-N 3.29Å; F449-F465 CarbonylContact O-C 3.56Å; F449-F465 WeakPolarHBondContact O-CA 3.34Å; F449-R466 HydrophobicContact CB-CB 4.41Å; F449-R466 WeakPolarHBondContact CB-O 3.49Å; F449-R466 HydrophobicContact CD1-CB 3.98Å; F449-R466 PolarHBondContact O-N 2.9Å; F449-P468 HydrophobicContact CD1-CB 4.16Å; F449-P468 HydrophobicContact CD1-CG 3.84Å; F449-P468 HydrophobicContact CD2-CG 4.48Å; F449-P468 HydrophobicContact CE1-CB 3.62Å; F449-P468 HydrophobicContact CE1-CG 3.73Å; F449-P468 HydrophobicContact CE2-CG 4.39Å; F449-P468 HydrophobicContact CG-CG 4.22Å; F449-P468 HydrophobicContact CZ-CB 3.97Å; F449-P468 HydrophobicContact CZ-CG 4.01Å; F449-L533 HydrophobicContact CZ-CD1 4.41Å; F449-P537 HydrophobicContact CD1-CB 4.34Å; F449-P537 HydrophobicContact CD2-CB 4.12Å; F449-P537 HydrophobicContact CE1-CB 4.02Å; F449-P537 HydrophobicContact CE2-CB 3.78Å; F449-P537 HydrophobicContact CE2-CG 4.36Å; F449-P537 HydrophobicContact CG-CB 4.39Å; F449-P537 HydrophobicContact CZ-CB 3.74Å; F449-P537 HydrophobicContact CZ-CG 4.07Å
450	G	93.5	Very high	84.1	Confident	5 Å²	5	58.1 Å²	58.1	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.7	169.6	0	0	0	0	0	111.5	F430 H464	F430-G450 VanDerWaalsContact CZ-O 3.26Å; F430-G450 WeakPolarHBondContact CZ-O 3.23Å; G450-H464 CarbonylContact C-O 3.59Å; G450-H464 VanDerWaalsContact CA-O 3.23Å; G450-H464 WeakPolarHBondContact CA-O 3.44Å
451	L	92.1	Very high	86.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	170	166.2	63.1	75.4	0	0	0	109.9	F463 H464 F538 Y546 L673	L451-F463 WeakPolarHBondContact O-CA 3.43Å; L451-H464 HydrophobicContact CD1-CB 3.79Å; L451-H464 HydrophobicContact CG-CB 4.14Å; L451-H464 PolarHBondContact N-O 3.44Å; L451-H464 PolarHBondContact O-N 3.3Å; L451-F538 HydrophobicContact CD2-CB 4.26Å; L451-F538 HydrophobicContact CD2-CD1 3.33Å; L451-F538 HydrophobicContact CD2-CD2 4.14Å; L451-F538 HydrophobicContact CD2-CE1 3.5Å; L451-F538 VanDerWaalsContact CD2-CE1 3.5Å; L451-F538 HydrophobicContact CD2-CE2 4.28Å; L451-F538 HydrophobicContact CD2-CG 3.67Å; L451-F538 HydrophobicContact CD2-CZ 3.99Å; L451-F538 HydrophobicContact CG-CD1 4.19Å; L451-F538 HydrophobicContact CG-CD2 4.27Å; L451-F538 HydrophobicContact CG-CE1 4.01Å; L451-F538 HydrophobicContact CG-CE2 4.12Å; L451-F538 HydrophobicContact CG-CG 4.31Å; L451-F538 HydrophobicContact CG-CZ 3.98Å; L451-Y546 HydrophobicContact CB-CD2 3.82Å; L451-Y546 HydrophobicContact CB-CE2 3.83Å; L451-Y546 HydrophobicContact CD1-CD2 4.45Å; L451-Y546 HydrophobicContact CD2-CD2 3.76Å; L451-Y546 HydrophobicContact CD2-CE2 3.49Å; L451-Y546 VanDerWaalsContact CD2-CE2 3.49Å; L451-Y546 HydrophobicContact CG-CD2 4.23Å; L451-Y546 HydrophobicContact CG-CE2 4.26Å; L451-L673 HydrophobicContact CD2-CD2 3.9Å
452	H	93	Very high	87.9	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	150.4	168.9	71.6	-69.5	0	0	0	113.1	F428 V461 T462 F463 G544 H545 Y546	F428-H452 PolarHBondContact O-CE1 3.38Å; F428-H452 VanDerWaalsContact O-CE1 3.24Å; F428-H452 PolarHBondContact O-NE2 2.92Å; H452-V461 HydrophobicContact CB-CG2 4.26Å; H452-T462 CarbonylContact C-O 3.58Å; H452-T462 WeakPolarHBondContact CA-O 3.38Å; H452-T462 WeakPolarHBondContact CB-O 3.44Å; H452-F463 HydrophobicContact CB-CB 4.47Å; H452-F463 HydrophobicContact CB-CD1 3.52Å; H452-F463 HydrophobicContact CB-CE1 3.85Å; H452-F463 HydrophobicContact CB-CG 3.98Å; H452-G544 PolarHBondContact ND1-O 3.02Å; H452-H545 AromaticContact CD2-ND1 3.68Å; H452-H545 AromaticContact NE2-CG 3.86Å; H452-H545 AromaticContact NE2-ND1 3.55Å; H452-H545 WeakPolarHBondContact O-CA 3.14Å; H452-H545 PolarHBondContact O-ND1 2.94Å; H452-Y546 PolarHBondContact O-N 2.88Å
453	E	90.4	Very high	89.4	Confident	33 Å²	33	38.6 Å²	38.6	15%	0.154	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	158.1	178.6	56.6	164.7	-154.6	0	0	111	V461 T462 H464 T566	E453-V461 WeakPolarHBondContact O-CA 3.38Å; E453-V461 WeakPolarHBondContact O-CG2 3.28Å; E453-T462 PolarHBondContact N-O 3.32Å; E453-T462 PolarHBondContact O-N 3Å; E453-T462 PolarHBondContact OE1-OG1 3.31Å; E453-H464 IonicContact OE1-NE2 3.27Å; E453-T566 HydrophobicContact CB-CG2 4.11Å; E453-T566 VanDerWaalsContact CB-OG1 3.28Å; E453-T566 WeakPolarHBondContact CB-OG1 3.49Å; E453-T566 PolarHBondContact OE2-OG1 2.89Å
454	L	90.3	Very high	90.4	Very high	46 Å²	46	37.8 Å²	37.8	24%	0.241	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.4	-178.5	-69.7	171.8	0	0	0	110.3	M418 F428 V461	M418-L454 HydrophobicContact CE-CD2 3.9Å; F428-L454 HydrophobicContact CD2-CD2 3.75Å; F428-L454 HydrophobicContact CE2-CD2 3.86Å; L454-V461 HydrophobicContact CD2-CB 3.64Å; L454-V461 HydrophobicContact CD2-CG2 3.8Å
455	S	88.8	Confident	91.3	Very high	26 Å²	26	35.8 Å²	35.8	18%	0.182	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.7	167.7	174.2	0	0	0	0	109.2	D458 A459 T460	S455-D458 WeakPolarHBondContact OG-CB 3.17Å; S455-D458 PolarHBondContact OG-N 2.99Å; S455-D458 VanDerWaalsContact OG-N 3.16Å; S455-D458 PolarHBondContact OG-OD2 2.91Å; S455-A459 VanDerWaalsContact O-CA 3.26Å; S455-A459 WeakPolarHBondContact O-CA 3.17Å; S455-A459 PolarHBondContact O-N 2.89Å; S455-T460 PolarHBondContact N-O 3.14Å; S455-T460 PolarHBondContact O-N 2.95Å; S455-T460 VanDerWaalsContact O-N 3.07Å
456	K	84.9	Confident	91.9	Very high	114 Å²	114	31.4 Å²	31.4	50%	0.496	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-38.9	173.6	-62.1	-167.4	-173.5	-169.3	0	111.8	D424 D458 A459	D424-K456 WeakPolarHBondContact OD1-CE 3.16Å; D424-K456 IonicContact OD1-NZ 3.82Å; D424-K456 PolarHBondContact OD1-NZ 2.69Å; K456-D458 PolarHBondContact O-N 3.4Å; K456-A459 PolarHBondContact O-N 3.39Å
457	R	86.4	Confident	92	Very high	129 Å²	129	30.7 Å²	30.7	49%	0.487	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-49.4	179	-175.2	-175.6	70.9	-160.2	-2.9	111.5	D563	R457-D563 WeakPolarHBondContact CD-OD2 3.14Å; R457-D563 IonicContact CZ-OD2 3.55Å; R457-D563 IonicContact NE-OD2 3.46Å; R457-D563 IonicContact NH1-OD2 3.98Å; R457-D563 PolarHBondContact NH1-OD2 2.87Å
458	D	90.3	Very high	92.1	Very high	69 Å²	69	27.7 Å²	27.7	37%	0.369	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.6	-175.5	-43.1	-39.7	0	0	0	112.1	S455 K456 T460	S455-D458 WeakPolarHBondContact OG-CB 3.17Å; S455-D458 PolarHBondContact OG-N 2.99Å; S455-D458 VanDerWaalsContact OG-N 3.16Å; S455-D458 PolarHBondContact OG-OD2 2.91Å; K456-D458 PolarHBondContact O-N 3.4Å; D458-T460 HydrophobicContact CB-CG2 4.13Å
459	A	92.7	Very high	92	Very high	3 Å²	3	25 Å²	25	3%	0.025	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	53.9	-170.9	0	0	0	0	0	112.9	M418 K420 T423 S455 K456	M418-A459 HydrophobicContact CG-CB 4.41Å; M418-A459 PolarHBondContact N-O 3.44Å; M418-A459 WeakPolarHBondContact O-CB 3.29Å; K420-A459 HydrophobicContact CG-CB 3.79Å; T423-A459 HydrophobicContact CG2-CB 3.74Å; S455-A459 VanDerWaalsContact O-CA 3.26Å; S455-A459 WeakPolarHBondContact O-CA 3.17Å; S455-A459 PolarHBondContact O-N 2.89Å; K456-A459 PolarHBondContact O-N 3.39Å
460	T	94.2	Very high	91.9	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.037	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147	-179.1	65.2	0	0	0	0	112.4	L399 K415 L416 S455 D458	L399-T460 HydrophobicContact CD1-CG2 3.44Å; L399-T460 VanDerWaalsContact CD1-CG2 3.44Å; K415-T460 WeakPolarHBondContact CE-OG1 3.17Å; L416-T460 CarbonylContact O-C 3.53Å; L416-T460 WeakPolarHBondContact O-CA 3.39Å; L416-T460 VanDerWaalsContact O-CB 3.28Å; L416-T460 WeakPolarHBondContact O-CB 3.4Å; S455-T460 PolarHBondContact N-O 3.14Å; S455-T460 PolarHBondContact O-N 2.95Å; S455-T460 VanDerWaalsContact O-N 3.07Å; D458-T460 HydrophobicContact CB-CG2 4.13Å
461	V	94.6	Very high	91.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.8	164.1	58	0	0	0	0	108.7	K415 L416 M418 F428 H452 E453 L454 F463	K415-V461 WeakPolarHBondContact CA-O 3.17Å; L416-V461 HydrophobicContact CB-CG1 3.75Å; L416-V461 HydrophobicContact CD1-CG1 4.23Å; L416-V461 HydrophobicContact CG-CG1 4.27Å; L416-V461 PolarHBondContact N-O 2.62Å; L416-V461 PolarHBondContact O-N 2.76Å; M418-V461 HydrophobicContact CE-CB 3.9Å; M418-V461 HydrophobicContact CE-CG1 4.14Å; F428-V461 HydrophobicContact CB-CG2 4.3Å; F428-V461 HydrophobicContact CD1-CG1 4.09Å; F428-V461 HydrophobicContact CD1-CG2 4.49Å; F428-V461 HydrophobicContact CD2-CB 4.24Å; F428-V461 HydrophobicContact CD2-CG1 4.46Å; F428-V461 HydrophobicContact CD2-CG2 4.12Å; F428-V461 HydrophobicContact CE1-CG1 3.86Å; F428-V461 HydrophobicContact CE2-CB 4.21Å; F428-V461 HydrophobicContact CE2-CG1 4.25Å; F428-V461 HydrophobicContact CG-CB 4.44Å; F428-V461 HydrophobicContact CG-CG1 4.38Å; F428-V461 HydrophobicContact CG-CG2 4.05Å; F428-V461 HydrophobicContact CZ-CB 4.4Å; F428-V461 HydrophobicContact CZ-CG1 3.94Å; H452-V461 HydrophobicContact CB-CG2 4.26Å; E453-V461 WeakPolarHBondContact O-CA 3.38Å; E453-V461 WeakPolarHBondContact O-CG2 3.28Å; L454-V461 HydrophobicContact CD2-CB 3.64Å; L454-V461 HydrophobicContact CD2-CG2 3.8Å; V461-F463 HydrophobicContact CB-CE2 4.28Å; V461-F463 HydrophobicContact CG1-CD2 4.44Å; V461-F463 HydrophobicContact CG1-CE2 3.7Å; V461-F463 HydrophobicContact CG1-CZ 4.43Å; V461-F463 HydrophobicContact CG2-CD2 4.06Å; V461-F463 HydrophobicContact CG2-CE2 3.59Å; V461-F463 HydrophobicContact CG2-CZ 3.89Å
462	T	95.2	Very high	91.7	Very high	6 Å²	6	28 Å²	28	4%	0.037	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.5	174.2	-40.4	0	0	0	0	108.6	V413 K415 H452 E453 H464	V413-T462 HydrophobicContact CG1-CG2 3.43Å; V413-T462 VanDerWaalsContact CG1-CG2 3.43Å; K415-T462 HydrophobicContact CB-CG2 4.39Å; K415-T462 HydrophobicContact CG-CG2 4.41Å; H452-T462 CarbonylContact C-O 3.58Å; H452-T462 WeakPolarHBondContact CA-O 3.38Å; H452-T462 WeakPolarHBondContact CB-O 3.44Å; E453-T462 PolarHBondContact N-O 3.32Å; E453-T462 PolarHBondContact O-N 3Å; E453-T462 PolarHBondContact OE1-OG1 3.31Å; T462-H464 VanDerWaalsContact CG2-NE2 3.27Å; T462-H464 WeakPolarHBondContact CG2-NE2 3.27Å
463	F	96.3	Very high	91.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.5	172.5	-61.4	-99.4	0	0	0	109.5	V413 I414 L416 F428 F430 L451 H452 V461 F465 L477	V413-F463 CarbonylContact C-O 3.58Å; V413-F463 VanDerWaalsContact CA-O 3.31Å; V413-F463 WeakPolarHBondContact CA-O 2.95Å; I414-F463 HydrophobicContact CB-CB 4.42Å; I414-F463 PolarHBondContact N-O 3.25Å; I414-F463 PolarHBondContact O-N 2.95Å; L416-F463 HydrophobicContact CD1-CE2 4.09Å; F428-F463 HydrophobicContact CB-CE1 4.35Å; F428-F463 HydrophobicContact CB-CZ 3.93Å; F428-F463 HydrophobicContact CD1-CZ 4.09Å; F428-F463 HydrophobicContact CG-CZ 4.3Å; F430-F463 HydrophobicContact CB-CD1 4.37Å; F430-F463 HydrophobicContact CB-CE1 4.35Å; F430-F463 HydrophobicContact CD1-CD1 4.28Å; L451-F463 WeakPolarHBondContact O-CA 3.43Å; H452-F463 HydrophobicContact CB-CB 4.47Å; H452-F463 HydrophobicContact CB-CD1 3.52Å; H452-F463 HydrophobicContact CB-CE1 3.85Å; H452-F463 HydrophobicContact CB-CG 3.98Å; V461-F463 HydrophobicContact CB-CE2 4.28Å; V461-F463 HydrophobicContact CG1-CD2 4.44Å; V461-F463 HydrophobicContact CG1-CE2 3.7Å; V461-F463 HydrophobicContact CG1-CZ 4.43Å; V461-F463 HydrophobicContact CG2-CD2 4.06Å; V461-F463 HydrophobicContact CG2-CE2 3.59Å; V461-F463 HydrophobicContact CG2-CZ 3.89Å; F463-F465 HydrophobicContact CB-CD2 4.42Å; F463-F465 HydrophobicContact CB-CE2 3.47Å; F463-F465 VanDerWaalsContact CB-CE2 3.47Å; F463-F465 HydrophobicContact CB-CZ 3.69Å; F463-F465 HydrophobicContact CD1-CZ 4.11Å; F463-F465 HydrophobicContact CG-CE2 4.37Å; F463-F465 HydrophobicContact CG-CZ 4.25Å; F463-L477 HydrophobicContact CD1-CD2 3.83Å; F463-L477 HydrophobicContact CD2-CD1 3.95Å; F463-L477 HydrophobicContact CD2-CD2 4.39Å; F463-L477 HydrophobicContact CE1-CD2 3.88Å; F463-L477 HydrophobicContact CE2-CD1 3.86Å; F463-L477 HydrophobicContact CE2-CD2 4.42Å; F463-L477 HydrophobicContact CG-CD1 4.43Å; F463-L477 HydrophobicContact CG-CD2 4.11Å; F463-L477 HydrophobicContact CZ-CB 4.43Å; F463-L477 HydrophobicContact CZ-CD1 4.27Å; F463-L477 HydrophobicContact CZ-CD2 4.17Å
464	H	95.3	Very high	92.1	Very high	28 Å²	28	28.5 Å²	28.5	13%	0.13	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.2	177.7	-58.6	-113.8	0	0	0	108.8	L412 G450 L451 E453 T462 F538 Q567	L412-H464 WeakPolarHBondContact O-CA 3.4Å; G450-H464 CarbonylContact C-O 3.59Å; G450-H464 VanDerWaalsContact CA-O 3.23Å; G450-H464 WeakPolarHBondContact CA-O 3.44Å; L451-H464 HydrophobicContact CD1-CB 3.79Å; L451-H464 HydrophobicContact CG-CB 4.14Å; L451-H464 PolarHBondContact N-O 3.44Å; L451-H464 PolarHBondContact O-N 3.3Å; E453-H464 IonicContact OE1-NE2 3.27Å; T462-H464 VanDerWaalsContact CG2-NE2 3.27Å; T462-H464 WeakPolarHBondContact CG2-NE2 3.27Å; H464-F538 HydrophobicContact CB-CE1 4.49Å; H464-F538 HydrophobicContact CB-CZ 3.82Å; H464-Q567 PolarHBondContact CD2-NE2 3.16Å; H464-Q567 VanDerWaalsContact CD2-NE2 3.33Å; H464-Q567 PolarHBondContact CE1-NE2 2.86Å; H464-Q567 PolarHBondContact NE2-NE2 3.01Å
465	F	95.9	Very high	92.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.6	-178.5	-59.9	-72.5	0	0	0	111.8	K411 L412 I414 F430 L432 F449 F463 F467 L475 L477	K411-F465 VanDerWaalsContact CA-O 3.27Å; K411-F465 WeakPolarHBondContact CA-O 3.24Å; L412-F465 HydrophobicContact CB-CB 4.34Å; L412-F465 PolarHBondContact N-O 3.13Å; L412-F465 PolarHBondContact O-N 3.33Å; I414-F465 HydrophobicContact CD1-CE2 4.43Å; I414-F465 HydrophobicContact CG1-CE2 4.4Å; F430-F465 HydrophobicContact CB-CE1 4.23Å; F430-F465 HydrophobicContact CB-CZ 4.17Å; F430-F465 HydrophobicContact CD1-CE1 4.19Å; F430-F465 AromaticContact CD2-CE1 3.62Å; F430-F465 HydrophobicContact CD2-CE1 3.62Å; F430-F465 HydrophobicContact CD2-CZ 4.4Å; F430-F465 HydrophobicContact CE2-CE1 4.02Å; F430-F465 AromaticContact CG-CE1 3.73Å; F430-F465 HydrophobicContact CG-CE1 3.73Å; F430-F465 HydrophobicContact CG-CZ 4.1Å; F430-F465 HydrophobicContact CZ-CE1 4.49Å; L432-F465 HydrophobicContact CD2-CD1 4.34Å; F449-F465 CarbonylContact O-C 3.56Å; F449-F465 WeakPolarHBondContact O-CA 3.34Å; F463-F465 HydrophobicContact CB-CD2 4.42Å; F463-F465 HydrophobicContact CB-CE2 3.47Å; F463-F465 VanDerWaalsContact CB-CE2 3.47Å; F463-F465 HydrophobicContact CB-CZ 3.69Å; F463-F465 HydrophobicContact CD1-CZ 4.11Å; F463-F465 HydrophobicContact CG-CE2 4.37Å; F463-F465 HydrophobicContact CG-CZ 4.25Å; F465-F467 HydrophobicContact CB-CE1 4.18Å; F465-F467 HydrophobicContact CB-CZ 3.83Å; F465-L475 HydrophobicContact CD1-CD1 4.37Å; F465-L475 HydrophobicContact CD2-CD2 3.84Å; F465-L475 HydrophobicContact CE1-CD1 3.68Å; F465-L475 HydrophobicContact CE2-CD1 4.01Å; F465-L475 HydrophobicContact CE2-CD2 3.47Å; F465-L475 VanDerWaalsContact CE2-CD2 3.47Å; F465-L475 HydrophobicContact CE2-CG 4.37Å; F465-L475 HydrophobicContact CZ-CD1 3.47Å; F465-L475 VanDerWaalsContact CZ-CD1 3.47Å; F465-L475 HydrophobicContact CZ-CD2 3.87Å; F465-L475 HydrophobicContact CZ-CG 4.3Å; F465-L477 HydrophobicContact CE2-CD2 4.41Å; F465-L477 HydrophobicContact CZ-CD2 3.94Å
466	R	94.3	Very high	92.8	Very high	10 Å²	10	25.6 Å²	25.6	4%	0.038	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.5	173	-62.9	177.4	-171	-151.6	-8.4	108.8	N410 F449 P468 I535 L536 F538 E648	N410-R466 CarbonylContact O-C 3.58Å; N410-R466 VanDerWaalsContact O-CA 3.31Å; N410-R466 WeakPolarHBondContact O-CA 3.41Å; F449-R466 HydrophobicContact CB-CB 4.41Å; F449-R466 WeakPolarHBondContact CB-O 3.49Å; F449-R466 HydrophobicContact CD1-CB 3.98Å; F449-R466 PolarHBondContact O-N 2.9Å; R466-P468 WeakPolarHBondContact O-CD 3.4Å; R466-I535 HydrophobicContact CB-CD1 4.15Å; R466-I535 HydrophobicContact CB-CG1 4.49Å; R466-I535 HydrophobicContact CB-CG2 4.01Å; R466-I535 HydrophobicContact CG-CD1 3.88Å; R466-I535 HydrophobicContact CG-CG1 4.46Å; R466-L536 WeakPolarHBondContact CD-O 3.33Å; R466-L536 PolarHBondContact NH1-O 3.42Å; R466-F538 HydrophobicContact CG-CD2 4.36Å; R466-F538 HydrophobicContact CG-CE2 3.72Å; R466-F538 HydrophobicContact CG-CZ 3.85Å; R466-F538 VanDerWaalsContact CZ-CD1 3.46Å; R466-F538 VanDerWaalsContact NE-CD1 3.34Å; R466-F538 VanDerWaalsContact NE-CZ 3.28Å; R466-E648 IonicContact CZ-OE1 2.67Å; R466-E648 IonicContact CZ-OE2 2.81Å; R466-E648 VanDerWaalsContact CZ-OE2 3.25Å; R466-E648 IonicContact NH1-OE1 3.48Å; R466-E648 IonicContact NH1-OE2 2.69Å; R466-E648 PolarHBondContact NH1-OE2 2.96Å; R466-E648 IonicContact NH2-OE1 3.42Å; R466-E648 PolarHBondContact NH2-OE1 2.84Å; R466-E648 IonicContact NH2-OE2 2.62Å; R466-E648 PolarHBondContact NH2-OE2 3.32Å
467	F	93.7	Very high	93.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.			trans	-113.4	99.6	-178.9	-55.7	-62.7	0	0	0	109.9	A408 N410 L412 L432 F465 K469 Y473 V495 S534 I535	A408-F467 HydrophobicContact CB-CD2 4.36Å; A408-F467 HydrophobicContact CB-CE2 3.76Å; N410-F467 PolarHBondContact O-N 3.18Å; L412-F467 HydrophobicContact CB-CE2 3.59Å; L412-F467 HydrophobicContact CB-CZ 3.72Å; L412-F467 HydrophobicContact CD2-CZ 4.08Å; L432-F467 HydrophobicContact CD1-CE1 4.23Å; L432-F467 HydrophobicContact CD2-CE1 4.46Å; F465-F467 HydrophobicContact CB-CE1 4.18Å; F465-F467 HydrophobicContact CB-CZ 3.83Å; F467-K469 VanDerWaalsContact C-N 3.27Å; F467-K469 PolarHBondContact O-N 3.48Å; F467-Y473 HydrophobicContact CB-CD2 4.45Å; F467-Y473 HydrophobicContact CB-CE2 3.79Å; F467-Y473 HydrophobicContact CD1-CD1 4.24Å; F467-Y473 AromaticContact CD1-CD2 3.64Å; F467-Y473 HydrophobicContact CD1-CD2 3.64Å; F467-Y473 HydrophobicContact CD1-CE1 4.32Å; F467-Y473 AromaticContact CD1-CE2 3.74Å; F467-Y473 HydrophobicContact CD1-CE2 3.74Å; F467-Y473 AromaticContact CD1-CG 3.9Å; F467-Y473 HydrophobicContact CD1-CG 3.9Å; F467-Y473 HydrophobicContact CE1-CD2 4.35Å; F467-Y473 HydrophobicContact CE1-CG 4.3Å; F467-Y473 HydrophobicContact CG-CD2 4.27Å; F467-Y473 HydrophobicContact CG-CE2 4.09Å; F467-V495 HydrophobicContact CE1-CB 4.33Å; F467-V495 HydrophobicContact CE1-CG1 4.13Å; F467-V495 HydrophobicContact CE2-CG1 3.83Å; F467-V495 HydrophobicContact CZ-CB 4.18Å; F467-V495 HydrophobicContact CZ-CG1 3.6Å; F467-V495 HydrophobicContact CZ-CG2 4.29Å; F467-S534 PolarHBondContact O-OG 3.07Å; F467-I535 WeakPolarHBondContact O-CG2 3.37Å
468	P	90.4	Very high	93.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-64	-27.9	-173.9	17.2	-27.5	0	0	0	114.2	L446 F449 R466 Y473 L533 S534	L446-P468 HydrophobicContact CD2-CG 3.87Å; F449-P468 HydrophobicContact CD1-CB 4.16Å; F449-P468 HydrophobicContact CD1-CG 3.84Å; F449-P468 HydrophobicContact CD2-CG 4.48Å; F449-P468 HydrophobicContact CE1-CB 3.62Å; F449-P468 HydrophobicContact CE1-CG 3.73Å; F449-P468 HydrophobicContact CE2-CG 4.39Å; F449-P468 HydrophobicContact CG-CG 4.22Å; F449-P468 HydrophobicContact CZ-CB 3.97Å; F449-P468 HydrophobicContact CZ-CG 4.01Å; R466-P468 WeakPolarHBondContact O-CD 3.4Å; P468-Y473 WeakPolarHBondContact CD-OH 3.08Å; P468-L533 HydrophobicContact CB-CB 4.42Å; P468-L533 HydrophobicContact CB-CD2 3.74Å; P468-S534 PolarHBondContact O-N 3.29Å; P468-S534 PolarHBondContact O-OG 3.45Å
469	K	87.5	Confident	94.1	Very high	38 Å²	38	11.4 Å²	11.4	17%	0.165	6%	0.064	C	C	.	.	S	Bend	trans	-132.8	140.2	-177.3	-175.1	179.6	170.2	175.3	0	109.5	Y434 D438 L441 L443 F467 Y473	Y434-K469 HydrophobicContact CE1-CD 4.41Å; Y434-K469 HydrophobicContact CE2-CD 4.42Å; Y434-K469 VanDerWaalsContact OH-CE 3.27Å; Y434-K469 WeakPolarHBondContact OH-CE 3.01Å; D438-K469 IonicContact OD2-NZ 2.72Å; D438-K469 PolarHBondContact OD2-NZ 3.46Å; L441-K469 HydrophobicContact CD2-CD 4.44Å; L443-K469 HydrophobicContact CD1-CD 4.21Å; F467-K469 VanDerWaalsContact C-N 3.27Å; F467-K469 PolarHBondContact O-N 3.48Å; K469-Y473 PolarHBondContact N-OH 3.4Å; K469-Y473 VanDerWaalsContact O-CE2 3.31Å; K469-Y473 WeakPolarHBondContact O-CE2 3.32Å; K469-Y473 PolarHBondContact O-OH 2.94Å
470	P	89.4	Confident	94	Very high	46 Å²	46	12.7 Å²	12.7	30%	0.299	7%	0.069	S	C	.	.	S	Bend	trans	-60.7	140.3	169.8	26.9	-36.1	0	0	0	111.4	Y434 S497 M499	Y434-P470 PolarHBondContact OH-O 3.33Å; P470-S497 CarbonylContact C-O 3.58Å; P470-S497 WeakPolarHBondContact CA-O 3.41Å; P470-M499 HydrophobicContact CB-CB 4.42Å; P470-M499 HydrophobicContact CG-CB 4.5Å; P470-M499 HydrophobicContact CG-SD 4.06Å
471	G	90.5	Very high	93.8	Very high	20 Å²	20	18 Å²	18	21%	0.206	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.6	-176.1	-179.7	0	0	0	0	0	113	S497	G471-S497 PolarHBondContact N-O 3.22Å; G471-S497 PolarHBondContact O-N 3.42Å
472	G	92.5	Very high	93.4	Very high	5 Å²	5	22.9 Å²	22.9	5%	0.052	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.9	176.4	0	0	0	0	0	111.8	E435 V495	E435-G472 PolarHBondContact N-O 3.05Å; G472-V495 CarbonylContact C-O 3.55Å; G472-V495 WeakPolarHBondContact CA-O 3.46Å
473	Y	94.9	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.3	171.6	-71.3	-95.3	0	0	0	110.3	L432 K433 Y434 L446 F467 P468 K469 R494 V495	L432-Y473 HydrophobicContact CD1-CD1 3.9Å; L432-Y473 HydrophobicContact CD1-CG 4.26Å; L432-Y473 HydrophobicContact CD2-CD1 4.48Å; L432-Y473 HydrophobicContact CG-CD1 4.08Å; K433-Y473 CarbonylContact O-C 3.57Å; K433-Y473 WeakPolarHBondContact O-CA 3.35Å; Y434-Y473 HydrophobicContact CD2-CD1 4.22Å; Y434-Y473 HydrophobicContact CD2-CD2 4.37Å; Y434-Y473 AromaticContact CD2-CE1 3.76Å; Y434-Y473 HydrophobicContact CD2-CE1 3.76Å; Y434-Y473 AromaticContact CD2-CE2 3.93Å; Y434-Y473 HydrophobicContact CD2-CE2 3.93Å; Y434-Y473 AromaticContact CD2-CZ 3.61Å; Y434-Y473 HydrophobicContact CE2-CE2 4.35Å; Y434-Y473 HydrophobicContact CG-CE1 4.31Å; L446-Y473 HydrophobicContact CD1-CD1 4.3Å; L446-Y473 HydrophobicContact CD1-CE1 4.03Å; L446-Y473 HydrophobicContact CD2-CE1 4.04Å; F467-Y473 HydrophobicContact CB-CD2 4.45Å; F467-Y473 HydrophobicContact CB-CE2 3.79Å; F467-Y473 HydrophobicContact CD1-CD1 4.24Å; F467-Y473 AromaticContact CD1-CD2 3.64Å; F467-Y473 HydrophobicContact CD1-CD2 3.64Å; F467-Y473 HydrophobicContact CD1-CE1 4.32Å; F467-Y473 AromaticContact CD1-CE2 3.74Å; F467-Y473 HydrophobicContact CD1-CE2 3.74Å; F467-Y473 AromaticContact CD1-CG 3.9Å; F467-Y473 HydrophobicContact CD1-CG 3.9Å; F467-Y473 HydrophobicContact CE1-CD2 4.35Å; F467-Y473 HydrophobicContact CE1-CG 4.3Å; F467-Y473 HydrophobicContact CG-CD2 4.27Å; F467-Y473 HydrophobicContact CG-CE2 4.09Å; P468-Y473 WeakPolarHBondContact CD-OH 3.08Å; K469-Y473 PolarHBondContact N-OH 3.4Å; K469-Y473 VanDerWaalsContact O-CE2 3.31Å; K469-Y473 WeakPolarHBondContact O-CE2 3.32Å; K469-Y473 PolarHBondContact O-OH 2.94Å; Y473-R494 CarbonylContact O-C 3.37Å; Y473-R494 WeakPolarHBondContact O-CA 3.3Å; Y473-V495 PolarHBondContact N-O 3.35Å; Y473-V495 PolarHBondContact O-N 3.02Å
474	K	95.4	Very high	92.2	Very high	50 Å²	50	29.8 Å²	29.8	22%	0.217	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.7	165.7	174.3	165.4	-178.1	156.4	0	109.6	K433 E435 E492	K433-K474 PolarHBondContact N-O 3.41Å; K433-K474 PolarHBondContact O-N 3.33Å; E435-K474 HydrophobicContact CG-CB 4.11Å; E435-K474 VanDerWaalsContact OE1-CB 3.3Å; E435-K474 WeakPolarHBondContact OE1-CB 3.49Å; K474-E492 WeakPolarHBondContact CE-OE2 3.24Å; K474-E492 IonicContact NZ-OE2 3.17Å; K474-E492 PolarHBondContact NZ-OE2 2.74Å
475	L	97.3	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.1	178.1	172.9	59.8	0	0	0	109.5	I414 F430 L432 F465 L477 E492 Y493 V495	I414-L475 HydrophobicContact CD1-CD2 3.51Å; F430-L475 HydrophobicContact CB-CD1 4.33Å; L432-L475 HydrophobicContact CD1-CB 4.21Å; L432-L475 HydrophobicContact CD1-CD1 4.35Å; F465-L475 HydrophobicContact CD1-CD1 4.37Å; F465-L475 HydrophobicContact CD2-CD2 3.84Å; F465-L475 HydrophobicContact CE1-CD1 3.68Å; F465-L475 HydrophobicContact CE2-CD1 4.01Å; F465-L475 HydrophobicContact CE2-CD2 3.47Å; F465-L475 VanDerWaalsContact CE2-CD2 3.47Å; F465-L475 HydrophobicContact CE2-CG 4.37Å; F465-L475 HydrophobicContact CZ-CD1 3.47Å; F465-L475 VanDerWaalsContact CZ-CD1 3.47Å; F465-L475 HydrophobicContact CZ-CD2 3.87Å; F465-L475 HydrophobicContact CZ-CG 4.3Å; L475-L477 HydrophobicContact CD1-CD2 3.86Å; L475-L477 HydrophobicContact CD2-CD2 4.44Å; L475-L477 HydrophobicContact CG-CD2 4.15Å; L475-E492 CarbonylContact O-C 3.52Å; L475-E492 WeakPolarHBondContact O-CA 3.49Å; L475-Y493 PolarHBondContact N-O 3.13Å; L475-Y493 PolarHBondContact O-N 2.64Å; L475-V495 HydrophobicContact CB-CG2 4.43Å; L475-V495 HydrophobicContact CD2-CG2 4.49Å
476	T	97.2	Very high	90.8	Very high	11 Å²	11	40.4 Å²	40.4	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.8	171.4	-54.4	0	0	0	0	109.3	F430 N431 Y478 D489 E492	F430-T476 CarbonylContact C-O 3.55Å; F430-T476 VanDerWaalsContact CA-O 3.28Å; F430-T476 WeakPolarHBondContact CA-O 3.14Å; N431-T476 PolarHBondContact N-O 3.45Å; N431-T476 PolarHBondContact O-N 2.89Å; T476-Y478 HydrophobicContact CG2-CD1 4.5Å; T476-Y478 HydrophobicContact CG2-CD2 4.22Å; T476-Y478 HydrophobicContact CG2-CE1 3.88Å; T476-Y478 HydrophobicContact CG2-CE2 3.55Å; T476-Y478 WeakPolarHBondContact CG2-OH 3.27Å; T476-Y478 WeakPolarHBondContact O-CE2 3.35Å; T476-D489 HydrophobicContact CG2-CB 4.12Å; T476-E492 HydrophobicContact CG2-CG 3.86Å
477	L	97.8	Very high	90.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	145.4	172.7	-54.4	-175	0	0	0	109.6	I414 L416 F430 F463 F465 L475 I490 C491 Y493	I414-L477 HydrophobicContact CG2-CD1 4.05Å; L416-L477 HydrophobicContact CD1-CD1 4.15Å; F430-L477 HydrophobicContact CB-CD2 3.78Å; F463-L477 HydrophobicContact CD1-CD2 3.83Å; F463-L477 HydrophobicContact CD2-CD1 3.95Å; F463-L477 HydrophobicContact CD2-CD2 4.39Å; F463-L477 HydrophobicContact CE1-CD2 3.88Å; F463-L477 HydrophobicContact CE2-CD1 3.86Å; F463-L477 HydrophobicContact CE2-CD2 4.42Å; F463-L477 HydrophobicContact CG-CD1 4.43Å; F463-L477 HydrophobicContact CG-CD2 4.11Å; F463-L477 HydrophobicContact CZ-CB 4.43Å; F463-L477 HydrophobicContact CZ-CD1 4.27Å; F463-L477 HydrophobicContact CZ-CD2 4.17Å; F465-L477 HydrophobicContact CE2-CD2 4.41Å; F465-L477 HydrophobicContact CZ-CD2 3.94Å; L475-L477 HydrophobicContact CD1-CD2 3.86Å; L475-L477 HydrophobicContact CD2-CD2 4.44Å; L475-L477 HydrophobicContact CG-CD2 4.15Å; L477-I490 VanDerWaalsContact C-CG1 3.46Å; L477-I490 HydrophobicContact CB-CD1 4.04Å; L477-I490 HydrophobicContact CB-CG1 3.88Å; L477-I490 WeakPolarHBondContact O-CG1 3.07Å; L477-I490 PolarHBondContact O-N 3.48Å; L477-C491 PolarHBondContact N-O 2.72Å; L477-Y493 HydrophobicContact CD1-CE2 4.3Å
478	Y	96.4	Very high	90.5	Very high	15 Å²	15	43.6 Å²	43.6	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.4	-177.7	-55.7	-98.7	0	0	0	111.5	F428 T429 N431 T476 A488 D489	F428-Y478 WeakPolarHBondContact CA-O 3.45Å; T429-Y478 HydrophobicContact CG2-CD2 4.14Å; T429-Y478 HydrophobicContact CG2-CG 4.22Å; T429-Y478 PolarHBondContact N-O 2.62Å; T429-Y478 VanDerWaalsContact N-O 3.13Å; T429-Y478 PolarHBondContact O-N 3.27Å; N431-Y478 HydrophobicContact CB-CE2 3.64Å; T476-Y478 HydrophobicContact CG2-CD1 4.5Å; T476-Y478 HydrophobicContact CG2-CD2 4.22Å; T476-Y478 HydrophobicContact CG2-CE1 3.88Å; T476-Y478 HydrophobicContact CG2-CE2 3.55Å; T476-Y478 WeakPolarHBondContact CG2-OH 3.27Å; T476-Y478 WeakPolarHBondContact O-CE2 3.35Å; Y478-A488 CarbonylContact C-O 3.48Å; Y478-A488 WeakPolarHBondContact CA-O 3.5Å; Y478-A488 WeakPolarHBondContact CB-O 3.44Å; Y478-D489 HydrophobicContact CD1-CB 4.04Å; Y478-D489 HydrophobicContact CE1-CB 3.96Å
479	A	95.1	Very high	90.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.6	170.2	0	0	0	0	0	111.2	K427 F428 F487 A488 I490	K427-A479 CarbonylContact O-C 3.55Å; K427-A479 VanDerWaalsContact O-CA 3.29Å; K427-A479 WeakPolarHBondContact O-CA 3.49Å; F428-A479 HydrophobicContact CD1-CB 3.98Å; F428-A479 HydrophobicContact CE1-CB 3.89Å; A479-F487 WeakPolarHBondContact O-CA 3.11Å; A479-A488 PolarHBondContact N-O 2.98Å; A479-A488 PolarHBondContact O-N 2.87Å; A479-I490 HydrophobicContact CB-CD1 4.43Å; A479-I490 HydrophobicContact CB-CG2 3.63Å
480	Q	90.6	Very high	91	Very high	29 Å²	29	44.5 Å²	44.5	14%	0.136	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	130.4	173.8	-177.2	179.8	30.3	0	0	108.7	K427 E484 K485 F487	K427-Q480 PolarHBondContact N-O 3.42Å; K427-Q480 PolarHBondContact O-N 3.06Å; Q480-E484 HydrophobicContact CG-CB 4.18Å; Q480-E484 PolarHBondContact NE2-O 2.92Å; Q480-K485 PolarHBondContact NE2-O 2.98Å; Q480-F487 HydrophobicContact CB-CB 4.47Å; Q480-F487 HydrophobicContact CB-CD1 3.52Å; Q480-F487 HydrophobicContact CB-CD2 4.21Å; Q480-F487 HydrophobicContact CB-CE1 3.68Å; Q480-F487 HydrophobicContact CB-CE2 4.35Å; Q480-F487 HydrophobicContact CB-CG 3.81Å; Q480-F487 HydrophobicContact CB-CZ 4.11Å
481	R	90	Very high	91.3	Very high	117 Å²	117	42.3 Å²	42.3	44%	0.442	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	140.2	167.5	-160.8	177.7	-175.4	-173.4	-2	110.5	T425 L426 G483 E484	T425-R481 CarbonylContact O-C 3.49Å; T425-R481 VanDerWaalsContact O-CA 3.29Å; T425-R481 WeakPolarHBondContact O-CA 3.48Å; L426-R481 HydrophobicContact CD2-CB 4.19Å; L426-R481 HydrophobicContact CD2-CG 4.48Å; R481-G483 PolarHBondContact O-N 2.83Å; R481-G483 VanDerWaalsContact O-N 3.16Å; R481-E484 VanDerWaalsContact CB-CD 3.45Å; R481-E484 HydrophobicContact CB-CG 3.99Å; R481-E484 WeakPolarHBondContact CB-OE2 3.44Å; R481-E484 PolarHBondContact N-OE2 2.9Å; R481-E484 WeakPolarHBondContact O-CB 3.44Å; R481-E484 PolarHBondContact O-N 2.8Å
482	I	86.5	Confident	91.7	Very high	103 Å²	103	42.1 Å²	42.1	53%	0.528	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	122.8	171.9	-63.5	177.2	0	0	0	109.1	D424 T425	D424-I482 WeakPolarHBondContact O-CD1 3.2Å; T425-I482 WeakPolarHBondContact O-CG1 3.37Å; T425-I482 PolarHBondContact O-N 3.24Å
483	G	82.4	Confident	91.9	Very high	79 Å²	79	41.9 Å²	41.9	81%	0.814	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.1	-23.5	-172.8	0	0	0	0	0	114.4	R481	R481-G483 PolarHBondContact O-N 2.83Å; R481-G483 VanDerWaalsContact O-N 3.16Å
484	E	83	Confident	92	Very high	72 Å²	72	44.2 Å²	44.2	34%	0.336	23%	0.225	S	C	.	.			trans	-75	144.5	170.9	-65	171.8	170.9	0	0	110.2	H394 Q480 R481	H394-E484 IonicContact CE1-OE1 2.8Å; H394-E484 IonicContact CE1-OE2 2.91Å; Q480-E484 HydrophobicContact CG-CB 4.18Å; Q480-E484 PolarHBondContact NE2-O 2.92Å; R481-E484 VanDerWaalsContact CB-CD 3.45Å; R481-E484 HydrophobicContact CB-CG 3.99Å; R481-E484 WeakPolarHBondContact CB-OE2 3.44Å; R481-E484 PolarHBondContact N-OE2 2.9Å; R481-E484 WeakPolarHBondContact O-CB 3.44Å; R481-E484 PolarHBondContact O-N 2.8Å
485	K	79.7	Confident	92.1	Very high	200 Å²	200	41.8 Å²	41.8	87%	0.87	22%	0.215	S	C	*	.	S	Bend	trans	-72.3	-32.4	-174.9	-69	-178.2	179.2	178.2	0	114.1	Q480	Q480-K485 PolarHBondContact NE2-O 2.98Å
486	L	82.6	Confident	92	Very high	53 Å²	53	44.4 Å²	44.4	28%	0.277	23%	0.227	S	C	.	.	S	Bend	trans	-139.9	154.3	-169.2	-63.6	176.5	0	0	0	111.6	T331	T331-L486 HydrophobicContact CG2-CD2 4.25Å
487	F	90.5	Very high	91.7	Very high	57 Å²	57	44.2 Å²	44.2	25%	0.25	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-69.5	126.7	166.5	-78.5	-88.8	0	0	0	111.2	S328 K427 T429 A479 Q480	S328-F487 WeakPolarHBondContact CB-O 3.32Å; K427-F487 HydrophobicContact CB-CE1 3.95Å; K427-F487 HydrophobicContact CB-CZ 3.91Å; T429-F487 HydrophobicContact CG2-CB 4.39Å; T429-F487 HydrophobicContact CG2-CD1 3.59Å; T429-F487 HydrophobicContact CG2-CD2 4.26Å; T429-F487 HydrophobicContact CG2-CE1 3.81Å; T429-F487 HydrophobicContact CG2-CE2 4.45Å; T429-F487 HydrophobicContact CG2-CG 3.83Å; T429-F487 HydrophobicContact CG2-CZ 4.24Å; A479-F487 WeakPolarHBondContact O-CA 3.11Å; Q480-F487 HydrophobicContact CB-CB 4.47Å; Q480-F487 HydrophobicContact CB-CD1 3.52Å; Q480-F487 HydrophobicContact CB-CD2 4.21Å; Q480-F487 HydrophobicContact CB-CE1 3.68Å; Q480-F487 HydrophobicContact CB-CE2 4.35Å; Q480-F487 HydrophobicContact CB-CG 3.81Å; Q480-F487 HydrophobicContact CB-CZ 4.11Å
488	A	90.2	Very high	91.1	Very high	21 Å²	21	50.8 Å²	50.8	17%	0.174	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	146.1	171.9	0	0	0	0	0	110.6	A390 Y478 A479	A390-A488 HydrophobicContact CB-CB 3.58Å; Y478-A488 CarbonylContact C-O 3.48Å; Y478-A488 WeakPolarHBondContact CA-O 3.5Å; Y478-A488 WeakPolarHBondContact CB-O 3.44Å; A479-A488 PolarHBondContact N-O 2.98Å; A479-A488 PolarHBondContact O-N 2.87Å
489	D	92.8	Very high	90	Very high	57 Å²	57	56.3 Å²	56.3	31%	0.305	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.5	170.8	52.9	-34.2	0	0	0	109.8	K388 T476 Y478	K388-D489 WeakPolarHBondContact CB-O 3.3Å; K388-D489 WeakPolarHBondContact CD-OD2 3.29Å; K388-D489 WeakPolarHBondContact CE-OD2 3.48Å; K388-D489 HydrophobicContact CG-CB 4.17Å; K388-D489 WeakPolarHBondContact CG-OD2 3.48Å; K388-D489 IonicContact NZ-OD2 2.79Å; K388-D489 PolarHBondContact NZ-OD2 3.5Å; K388-D489 VanDerWaalsContact NZ-OD2 3.13Å; T476-D489 HydrophobicContact CG2-CB 4.12Å; Y478-D489 HydrophobicContact CD1-CB 4.04Å; Y478-D489 HydrophobicContact CE1-CB 3.96Å
490	I	95.8	Very high	88.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-45.1	177.9	53.4	164.5	0	0	0	111.3	K388 A390 F391 L396 L416 F428 L477 A479	K388-I490 WeakPolarHBondContact CB-O 3.36Å; K388-I490 PolarHBondContact N-O 3.18Å; A390-I490 HydrophobicContact CB-CG2 3.9Å; F391-I490 HydrophobicContact CB-CB 4.1Å; F391-I490 WeakPolarHBondContact CB-O 3.43Å; F391-I490 HydrophobicContact CD2-CB 4.3Å; L396-I490 HydrophobicContact CD1-CB 4.12Å; L396-I490 HydrophobicContact CD1-CD1 3.48Å; L396-I490 VanDerWaalsContact CD1-CD1 3.48Å; L396-I490 HydrophobicContact CD1-CG1 4.39Å; L396-I490 HydrophobicContact CD1-CG2 3.93Å; L416-I490 HydrophobicContact CD1-CD1 3.74Å; F428-I490 HydrophobicContact CD1-CD1 4.3Å; F428-I490 HydrophobicContact CE1-CD1 4.24Å; L477-I490 VanDerWaalsContact C-CG1 3.46Å; L477-I490 HydrophobicContact CB-CD1 4.04Å; L477-I490 HydrophobicContact CB-CG1 3.88Å; L477-I490 WeakPolarHBondContact O-CG1 3.07Å; L477-I490 PolarHBondContact O-N 3.48Å; A479-I490 HydrophobicContact CB-CD1 4.43Å; A479-I490 HydrophobicContact CB-CG2 3.63Å
491	C	96.7	Very high	86.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.3	175.5	57.6	0	0	0	0	112.9	V385 L386 L387 L477	V385-C491 HydrophobicContact CG2-CB 4.01Å; L386-C491 CarbonylContact O-C 3.51Å; L386-C491 WeakPolarHBondContact O-CA 3.21Å; L387-C491 HydrophobicContact CD2-CB 3.76Å; L477-C491 PolarHBondContact N-O 2.72Å
492	E	97.5	Very high	84.4	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.075	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.7	176.9	-55.6	179.9	-136.5	0	0	111.7	V263 L386 K388 K474 L475 T476	V263-E492 HydrophobicContact CG2-CB 3.62Å; L386-E492 HydrophobicContact CB-CB 4.24Å; L386-E492 HydrophobicContact CD2-CB 4.16Å; L386-E492 HydrophobicContact CD2-CG 4.24Å; L386-E492 HydrophobicContact CG-CB 4.46Å; L386-E492 PolarHBondContact N-O 2.7Å; L386-E492 PolarHBondContact O-N 2.65Å; K388-E492 WeakPolarHBondContact CE-OE1 3.05Å; K388-E492 IonicContact NZ-OE1 3.43Å; K388-E492 PolarHBondContact NZ-OE1 2.55Å; K474-E492 WeakPolarHBondContact CE-OE2 3.24Å; K474-E492 IonicContact NZ-OE2 3.17Å; K474-E492 PolarHBondContact NZ-OE2 2.74Å; L475-E492 CarbonylContact O-C 3.52Å; L475-E492 WeakPolarHBondContact O-CA 3.49Å; T476-E492 HydrophobicContact CG2-CG 3.86Å
493	Y	97.9	Very high	82.3	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.7	174.9	-61.9	-89.8	0	0	0	110.7	V385 L398 H401 D403 I406 I414 L475 L477	V385-Y493 HydrophobicContact CB-CD1 4.44Å; V385-Y493 HydrophobicContact CB-CE1 3.89Å; V385-Y493 HydrophobicContact CG2-CD1 3.92Å; V385-Y493 HydrophobicContact CG2-CD2 4.42Å; V385-Y493 HydrophobicContact CG2-CE1 3.46Å; V385-Y493 VanDerWaalsContact CG2-CE1 3.46Å; V385-Y493 HydrophobicContact CG2-CE2 4.01Å; V385-Y493 HydrophobicContact CG2-CG 4.38Å; L398-Y493 VanDerWaalsContact CD2-OH 3.3Å; L398-Y493 WeakPolarHBondContact CD2-OH 3.44Å; H401-Y493 HydrophobicContact CB-CE1 3.98Å; H401-Y493 PolarHBondContact O-OH 3.33Å; D403-Y493 WeakPolarHBondContact O-CD1 3.45Å; D403-Y493 WeakPolarHBondContact O-CE1 3.33Å; I406-Y493 HydrophobicContact CD1-CD1 3.49Å; I406-Y493 VanDerWaalsContact CD1-CD1 3.49Å; I406-Y493 HydrophobicContact CD1-CE1 3.91Å; I406-Y493 HydrophobicContact CD1-CG 3.95Å; I406-Y493 HydrophobicContact CG1-CD1 4.04Å; I414-Y493 HydrophobicContact CD1-CD2 3.72Å; I414-Y493 HydrophobicContact CD1-CE2 3.71Å; I414-Y493 HydrophobicContact CD1-CG 4.24Å; I414-Y493 HydrophobicContact CG2-CE2 4.3Å; L475-Y493 PolarHBondContact N-O 3.13Å; L475-Y493 PolarHBondContact O-N 2.64Å; L477-Y493 HydrophobicContact CD1-CE2 4.3Å
494	R	96.9	Very high	79.8	Confident	48 Å²	48	71.4 Å²	71.4	18%	0.181	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127	159.9	179.9	176.8	-175.3	75.4	18.4	107.7	V263 C404 V405 I406 E435 Y473 E496	V263-R494 HydrophobicContact CB-CB 4.3Å; V263-R494 HydrophobicContact CG1-CB 4.11Å; V263-R494 VanDerWaalsContact O-CD 3.3Å; V263-R494 WeakPolarHBondContact O-CD 3.43Å; C404-R494 PolarHBondContact O-N 3.47Å; V405-R494 CarbonylContact C-O 3.27Å; V405-R494 VanDerWaalsContact CA-O 3.3Å; V405-R494 WeakPolarHBondContact CA-O 3.32Å; V405-R494 HydrophobicContact CG2-CB 4.43Å; I406-R494 PolarHBondContact N-O 3Å; E435-R494 IonicContact OE2-CZ 3.2Å; E435-R494 IonicContact OE2-NH1 2.76Å; E435-R494 PolarHBondContact OE2-NH1 3.46Å; Y473-R494 CarbonylContact O-C 3.37Å; Y473-R494 WeakPolarHBondContact O-CA 3.3Å; R494-E496 IonicContact CZ-OE1 2.69Å; R494-E496 IonicContact NE-OE1 3.52Å; R494-E496 PolarHBondContact NE-OE1 2.97Å; R494-E496 IonicContact NH2-OE1 3.74Å; R494-E496 PolarHBondContact NH2-OE1 2.87Å; R494-E496 IonicContact NH2-OE2 2.66Å
495	V	96.6	Very high	77.1	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.7	174.9	-169.3	0	0	0	0	108.7	I406 A408 L412 F467 G472 Y473 L475	I406-V495 HydrophobicContact CB-CG1 4.49Å; I406-V495 HydrophobicContact CB-CG2 4.49Å; I406-V495 CarbonylContact O-C 3.59Å; I406-V495 WeakPolarHBondContact O-CA 3.44Å; A408-V495 HydrophobicContact CB-CG1 3.72Å; L412-V495 HydrophobicContact CD2-CG1 4.13Å; L412-V495 HydrophobicContact CD2-CG2 3.68Å; F467-V495 HydrophobicContact CE1-CB 4.33Å; F467-V495 HydrophobicContact CE1-CG1 4.13Å; F467-V495 HydrophobicContact CE2-CG1 3.83Å; F467-V495 HydrophobicContact CZ-CB 4.18Å; F467-V495 HydrophobicContact CZ-CG1 3.6Å; F467-V495 HydrophobicContact CZ-CG2 4.29Å; G472-V495 CarbonylContact C-O 3.55Å; G472-V495 WeakPolarHBondContact CA-O 3.46Å; Y473-V495 PolarHBondContact N-O 3.35Å; Y473-V495 PolarHBondContact O-N 3.02Å; L475-V495 HydrophobicContact CB-CG2 4.43Å; L475-V495 HydrophobicContact CD2-CG2 4.49Å
496	E	95.1	Very high	74.5	Confident	55 Å²	55	74.1 Å²	74.1	26%	0.257	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103.6	173.4	-65.3	-68.4	176.9	0	0	108.7	V405 I406 L407 A408 R494	V405-E496 HydrophobicContact CG1-CG 4.17Å; I406-E496 PolarHBondContact O-N 2.86Å; L407-E496 HydrophobicContact CD2-CB 3.82Å; L407-E496 HydrophobicContact CD2-CG 4.36Å; A408-E496 PolarHBondContact N-O 3.02Å; A408-E496 VanDerWaalsContact N-O 3.16Å; R494-E496 IonicContact CZ-OE1 2.69Å; R494-E496 IonicContact NE-OE1 3.52Å; R494-E496 PolarHBondContact NE-OE1 2.97Å; R494-E496 IonicContact NH2-OE1 3.74Å; R494-E496 PolarHBondContact NH2-OE1 2.87Å; R494-E496 IonicContact NH2-OE2 2.66Å
497	S	92.2	Very high	71.9	Confident	7 Å²	7	78.9 Å²	78.9	5%	0.049	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.9	172.8	166.6	0	0	0	0	109.8	A408 P409 P470 G471	A408-S497 VanDerWaalsContact O-CA 3.31Å; A408-S497 WeakPolarHBondContact O-CA 3.26Å; P409-S497 PolarHBondContact O-OG 3.39Å; P470-S497 CarbonylContact C-O 3.58Å; P470-S497 WeakPolarHBondContact CA-O 3.41Å; G471-S497 PolarHBondContact N-O 3.22Å; G471-S497 PolarHBondContact O-N 3.42Å
498	K	84.8	Confident	68.9	Low	137 Å²	137	81.6 Å²	81.6	60%	0.596	44%	0.435	S	S	*	.			trans	-110.2	144.1	172.3	-66.1	-175.8	179.7	-178.7	0	108.8	P409 S500	P409-K498 CarbonylContact C-O 3.47Å; P409-K498 WeakPolarHBondContact CA-O 3.37Å; K498-S500 PolarHBondContact O-N 2.95Å
499	M	72.5	Confident	65.9	Low	131 Å²	131	84.3 Å²	84.3	65%	0.645	47%	0.466	S	S	*	.			trans	-53.9	127.2	170.2	-162.1	87.2	179.7	0	0	108.3	P470 T501	P470-M499 HydrophobicContact CB-CB 4.42Å; P470-M499 HydrophobicContact CG-CB 4.5Å; P470-M499 HydrophobicContact CG-SD 4.06Å; M499-T501 PolarHBondContact O-N 3.34Å
500	S	60.9	Low	62.6	Low	51 Å²	51	88 Å²	88	36%	0.357	49%	0.49	S	S	.	.			trans	-64.9	136.1	169.1	-177.1	0	0	0	0	108.8	K498 D502	K498-S500 PolarHBondContact O-N 2.95Å; S500-D502 VanDerWaalsContact C-N 3.27Å; S500-D502 VanDerWaalsContact OG-CG 3.28Å; S500-D502 PolarHBondContact OG-N 3.1Å; S500-D502 PolarHBondContact OG-OD2 2.8Å
501	T	51.5	Low	59.2	Low	117 Å²	117	95.4 Å²	95.4	72%	0.718	53%	0.526	S	S	*	.	S	Bend	trans	-83.6	-7.1	177	-2.5	0	0	0	0	112.1	M499 L503 Q504	M499-T501 PolarHBondContact O-N 3.34Å; T501-L503 PolarHBondContact O-N 3.24Å; T501-Q504 PolarHBondContact O-N 2.95Å
502	D	46.5	Very low	55.7	Low	142 Å²	142	102.7 Å²	102.7	76%	0.759	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	8.8	-173.9	-54.9	-35.4	0	0	0	114.8	S500	S500-D502 VanDerWaalsContact C-N 3.27Å; S500-D502 VanDerWaalsContact OG-CG 3.28Å; S500-D502 PolarHBondContact OG-N 3.1Å; S500-D502 PolarHBondContact OG-OD2 2.8Å
503	L	41.9	Very low	52.3	Low	163 Å²	163	105.8 Å²	105.8	85%	0.853	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	15.3	174.6	-69.5	177	0	0	0	113.7	T501	T501-L503 PolarHBondContact O-N 3.24Å
504	Q	30.1	Very low	48.8	Very low	173 Å²	173	112.5 Å²	112.5	81%	0.808	64%	0.635	S	S	*	*	S	Bend	trans	-124.8	18.8	173.7	-75.3	-170.8	-5.1	0	0	115.1	T501	T501-Q504 PolarHBondContact O-N 2.95Å
505	Q	26.1	Very low	45.5	Very low	182 Å²	182	116.2 Å²	116.2	85%	0.85	66%	0.663	S	S	*	*			trans	-124.9	72.3	167.9	-77.2	-169.4	-11.4	0	0	112.8
506	T	26.5	Very low	42.1	Very low	146 Å²	146	121.7 Å²	121.7	90%	0.896	70%	0.698	S	S	*	*			trans	-136.6	64.9	150.3	40	0	0	0	0	109.1
507	D	26.7	Very low	38.8	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	72%	0.724	S	S	*	*			trans	-78.5	128.1	174.3	-133.4	-16.9	0	0	0	110
508	S	27.8	Very low	35.7	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	76%	0.758	S	S	*	*			trans	46.1	86	165.9	59.9	0	0	0	0	118.6
509	G	26.5	Very low	32.7	Very low	78 Å²	78	129.6 Å²	129.6	80%	0.804	76%	0.762	S	S	*	*			trans	-146.7	100	174.5	0	0	0	0	0	114.4
510	V	24.6	Very low	30.7	Very low	134 Å²	134	129.3 Å²	129.3	81%	0.812	77%	0.768	S	S	*	*			trans	-41.9	129.1	-177.8	-176.7	0	0	0	0	116.8
511	M	23.6	Very low	29	Very low	155 Å²	155	132.2 Å²	132.2	76%	0.764	78%	0.783	S	S	*	*			trans	31.1	116.8	154.1	-56.9	-150.9	-71.6	0	0	121
512	N	23.9	Very low	27.7	Very low	153 Å²	153	132.3 Å²	132.3	82%	0.818	78%	0.784	S	S	*	*				171.7	155.3	100.7	-93.2	-37.3	0	0	0	115.2
513	A	26.4	Very low	26.8	Very low	81 Å²	81	132.5 Å²	132.5	67%	0.669	79%	0.785	S	S	*	*			trans	62.6	106.1	151.8	0	0	0	0	0	121
514	T	24.9	Very low	26.1	Very low	141 Å²	141	132 Å²	132	87%	0.865	78%	0.783	S	S	*	*			trans	46.7	85.2	140.6	40.9	0	0	0	0	118.8
515	T	25.6	Very low	26.1	Very low	127 Å²	127	131.2 Å²	131.2	78%	0.779	78%	0.784	S	S	*	*			trans	-131.7	131.9	138.8	-53.2	0	0	0	0	106.7	T517	T515-T517 PolarHBondContact O-N 3.12Å
516	P	26.7	Very low	26.2	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	78%	0.784	S	S	*	*			trans	-74	101.8	-172.5	18.7	-16.7	0	0	0	110.8	T518	P516-T518 VanDerWaalsContact C-N 3.31Å; P516-T518 PolarHBondContact O-N 3.4Å
517	T	24.4	Very low	26.6	Very low	130 Å²	130	130.2 Å²	130.2	80%	0.798	77%	0.773	S	S	*	*			trans	-62.2	97.3	155.7	40	0	0	0	0	108.1	T515 T519	T515-T517 PolarHBondContact O-N 3.12Å; T517-T519 VanDerWaalsContact C-N 3.3Å; T517-T519 PolarHBondContact O-N 3.03Å
518	T	27	Very low	27.1	Very low	123 Å²	123	129.1 Å²	129.1	76%	0.755	77%	0.772	S	S	*	*			trans	-63.2	92	172.1	-53	0	0	0	0	109	P516 V520	P516-T518 VanDerWaalsContact C-N 3.31Å; P516-T518 PolarHBondContact O-N 3.4Å; T518-V520 PolarHBondContact O-N 2.9Å
519	T	23.5	Very low	28	Very low	113 Å²	113	127 Å²	127	69%	0.693	76%	0.757	S	S	*	*			trans	-61.5	107.3	167.5	46.6	0	0	0	0	108	T517 T521	T517-T519 VanDerWaalsContact C-N 3.3Å; T517-T519 PolarHBondContact O-N 3.03Å; T519-T521 VanDerWaalsContact C-N 3.35Å; T519-T521 PolarHBondContact O-N 3.42Å
520	V	28.7	Very low	29	Very low	125 Å²	125	127.7 Å²	127.7	76%	0.758	74%	0.742	S	S	*	*			trans	-63.8	97.8	172.8	178.2	0	0	0	0	107.7	T518 T522	T518-V520 PolarHBondContact O-N 2.9Å; V520-T522 PolarHBondContact O-N 3.22Å; V520-T522 VanDerWaalsContact O-N 3.1Å
521	T	25.2	Very low	30.1	Very low	111 Å²	111	127 Å²	127	68%	0.681	74%	0.743	S	S	*	*			trans	-62.9	112	170.1	39.4	0	0	0	0	108.2	T519 N523	T519-T521 VanDerWaalsContact C-N 3.35Å; T519-T521 PolarHBondContact O-N 3.42Å; T521-N523 VanDerWaalsContact C-N 3.33Å; T521-N523 PolarHBondContact O-N 3.11Å
522	T	25.1	Very low	32.1	Very low	119 Å²	119	123.3 Å²	123.3	73%	0.73	74%	0.736	S	S	*	*			trans	-67.1	86.5	-179.6	50.5	0	0	0	0	110.7	V520 N524	V520-T522 PolarHBondContact O-N 3.22Å; V520-T522 VanDerWaalsContact O-N 3.1Å; T522-N524 PolarHBondContact O-N 2.87Å
523	N	27.1	Very low	34.2	Very low	147 Å²	147	118.1 Å²	118.1	79%	0.786	71%	0.708	S	S	*	*			trans	-72.2	116	162.1	-80.3	-15.3	0	0	0	108.1	T521 N525	T521-N523 VanDerWaalsContact C-N 3.33Å; T521-N523 PolarHBondContact O-N 3.11Å; N523-N525 PolarHBondContact O-N 2.98Å
524	N	28.1	Very low	36.6	Very low	151 Å²	151	117.3 Å²	117.3	81%	0.807	70%	0.698	S	S	*	*	S	Bend	trans	-58.6	103	-179.6	-66.8	-40.7	0	0	0	111.2	T522	T522-N524 PolarHBondContact O-N 2.87Å
525	N	29	Very low	39.6	Very low	158 Å²	158	111.7 Å²	111.7	85%	0.845	66%	0.662	S	S	*	*	S	Bend	trans	-164.5	152.6	150.6	-89.3	-37.1	0	0	0	108.8	N523 D527	N523-N525 PolarHBondContact O-N 2.98Å; N525-D527 PolarHBondContact O-N 3.32Å
526	H	29.8	Very low	42.6	Very low	183 Å²	183	108.9 Å²	108.9	85%	0.847	64%	0.642	S	S	*	*	S	Bend	trans	-54.1	100.7	-171.3	-82.9	-84.3	0	0	0	114.7
527	D	33.7	Very low	45.6	Very low	124 Å²	124	104.5 Å²	104.5	66%	0.663	61%	0.614	S	S	*	*			trans	-154.7	49	160.1	-106.7	-28.3	0	0	0	112.7	N525 S529	N525-D527 PolarHBondContact O-N 3.32Å; D527-S529 PolarHBondContact O-N 2.92Å; D527-S529 VanDerWaalsContact O-N 3.08Å
528	T	37.8	Very low	48.8	Very low	130 Å²	130	99.1 Å²	99.1	80%	0.798	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	8.4	179.9	27.1	0	0	0	0	115.6
529	S	45.8	Very low	51.9	Low	69 Å²	69	93.4 Å²	93.4	48%	0.483	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-28.6	-173.3	61.1	0	0	0	0	114.8	D527 S531	D527-S529 PolarHBondContact O-N 2.92Å; D527-S529 VanDerWaalsContact O-N 3.08Å; S529-S531 PolarHBondContact O-N 3.17Å
530	I	47.7	Very low	54.8	Low	94 Å²	94	91 Å²	91	48%	0.482	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-73	-30.9	-173.1	-59.5	178.6	0	0	0	112	A532 L533 L536	I530-A532 PolarHBondContact O-N 2.88Å; I530-L533 PolarHBondContact O-N 3.21Å; I530-L536 HydrophobicContact CG2-CD2 4.17Å
531	S	49.2	Very low	57.4	Low	120 Å²	120	86.9 Å²	86.9	84%	0.839	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-65.9	-3.4	-173.4	-54.4	0	0	0	0	115.5	S529	S529-S531 PolarHBondContact O-N 3.17Å
532	A	63.8	Low	60	Low	76 Å²	76	85 Å²	85	63%	0.628	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-112.7	1.5	-179.7	0	0	0	0	0	114.1	I530	I530-A532 PolarHBondContact O-N 2.88Å
533	L	69.4	Low	62.6	Low	44 Å²	44	83 Å²	83	23%	0.23	48%	0.479	C	S	.	.			trans	-89.5	128.1	-177.2	-52.6	174.9	0	0	0	110.7	P444 F449 P468 I530 I535	P444-L533 HydrophobicContact CG-CD1 4.4Å; P444-L533 HydrophobicContact CG-CD2 4.26Å; F449-L533 HydrophobicContact CZ-CD1 4.41Å; P468-L533 HydrophobicContact CB-CB 4.42Å; P468-L533 HydrophobicContact CB-CD2 3.74Å; I530-L533 PolarHBondContact O-N 3.21Å; L533-I535 VanDerWaalsContact C-N 3.26Å; L533-I535 PolarHBondContact O-N 3.31Å
534	S	76.6	Confident	64.7	Low	64 Å²	64	77.8 Å²	77.8	45%	0.448	46%	0.461	S	S	.	.	S	Bend	trans	-74	-14.8	176.7	62.5	0	0	0	0	114.2	F467 P468	F467-S534 PolarHBondContact O-OG 3.07Å; P468-S534 PolarHBondContact O-N 3.29Å; P468-S534 PolarHBondContact O-OG 3.45Å
535	I	86.5	Confident	67.3	Low	23 Å²	23	72 Å²	72	12%	0.118	43%	0.429	C	S	.	.	S	Bend	trans	-155.6	145.5	176.8	-172.7	166.3	0	0	0	109.8	K411 R466 F467 L533	K411-I535 HydrophobicContact CD-CD1 4.32Å; K411-I535 HydrophobicContact CG-CD1 3.85Å; R466-I535 HydrophobicContact CB-CD1 4.15Å; R466-I535 HydrophobicContact CB-CG1 4.49Å; R466-I535 HydrophobicContact CB-CG2 4.01Å; R466-I535 HydrophobicContact CG-CD1 3.88Å; R466-I535 HydrophobicContact CG-CG1 4.46Å; F467-I535 WeakPolarHBondContact O-CG2 3.37Å; L533-I535 VanDerWaalsContact C-N 3.26Å; L533-I535 PolarHBondContact O-N 3.31Å
536	L	88.9	Confident	70	Confident	69 Å²	69	64.6 Å²	64.6	36%	0.361	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-79.9	150.8	178.6	-67.2	176.6	0	0	0	112.6	R466 I530 I599	R466-L536 WeakPolarHBondContact CD-O 3.33Å; R466-L536 PolarHBondContact NH1-O 3.42Å; I530-L536 HydrophobicContact CG2-CD2 4.17Å; L536-I599 HydrophobicContact CD1-CG2 3.35Å
537	P	90.8	Very high	72.9	Confident	22 Å²	22	55.9 Å²	55.9	14%	0.143	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-61.1	160.1	171.6	27.6	-34.4	0	0	0	111.3	Q448 F449 S598	Q448-P537 HydrophobicContact CB-CB 3.87Å; Q448-P537 WeakPolarHBondContact O-CB 3.46Å; F449-P537 HydrophobicContact CD1-CB 4.34Å; F449-P537 HydrophobicContact CD2-CB 4.12Å; F449-P537 HydrophobicContact CE1-CB 4.02Å; F449-P537 HydrophobicContact CE2-CB 3.78Å; F449-P537 HydrophobicContact CE2-CG 4.36Å; F449-P537 HydrophobicContact CG-CB 4.39Å; F449-P537 HydrophobicContact CZ-CB 3.74Å; F449-P537 HydrophobicContact CZ-CG 4.07Å; P537-S598 PolarHBondContact O-OG 3.17Å; P537-S598 VanDerWaalsContact O-OG 3.1Å
538	F	92.2	Very high	75.5	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.075	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61.5	150.9	169.6	-67.5	-83.2	0	0	0	110.1	Q448 L451 H464 R466 L673	Q448-F538 PolarHBondContact O-N 2.94Å; L451-F538 HydrophobicContact CD2-CB 4.26Å; L451-F538 HydrophobicContact CD2-CD1 3.33Å; L451-F538 HydrophobicContact CD2-CD2 4.14Å; L451-F538 HydrophobicContact CD2-CE1 3.5Å; L451-F538 VanDerWaalsContact CD2-CE1 3.5Å; L451-F538 HydrophobicContact CD2-CE2 4.28Å; L451-F538 HydrophobicContact CD2-CG 3.67Å; L451-F538 HydrophobicContact CD2-CZ 3.99Å; L451-F538 HydrophobicContact CG-CD1 4.19Å; L451-F538 HydrophobicContact CG-CD2 4.27Å; L451-F538 HydrophobicContact CG-CE1 4.01Å; L451-F538 HydrophobicContact CG-CE2 4.12Å; L451-F538 HydrophobicContact CG-CG 4.31Å; L451-F538 HydrophobicContact CG-CZ 3.98Å; H464-F538 HydrophobicContact CB-CE1 4.49Å; H464-F538 HydrophobicContact CB-CZ 3.82Å; R466-F538 HydrophobicContact CG-CD2 4.36Å; R466-F538 HydrophobicContact CG-CE2 3.72Å; R466-F538 HydrophobicContact CG-CZ 3.85Å; R466-F538 VanDerWaalsContact CZ-CD1 3.46Å; R466-F538 VanDerWaalsContact NE-CD1 3.34Å; R466-F538 VanDerWaalsContact NE-CZ 3.28Å; F538-L673 HydrophobicContact CD1-CD2 3.97Å; F538-L673 HydrophobicContact CE1-CD2 4.15Å
539	P	91.1	Very high	78.1	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.013	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-50.1	136.7	176.4	-30	37.1	0	0	0	112.5	T541 Y546 S598 E648 A650 L673	P539-T541 PolarHBondContact O-N 3.05Å; P539-Y546 PolarHBondContact O-OH 3.16Å; P539-S598 WeakPolarHBondContact CA-OG 3.41Å; P539-E648 HydrophobicContact CG-CB 3.84Å; P539-A650 HydrophobicContact CB-CB 3.66Å; P539-A650 VanDerWaalsContact CB-N 3.33Å; P539-L673 HydrophobicContact CG-CD1 3.87Å
540	P	84.9	Confident	80	Confident	63 Å²	63	50.2 Å²	50.2	41%	0.409	31%	0.309	S	S	.	.			trans	-73.9	113.9	-165.4	26.9	-34.9	0	0	0	112.6	K596	P540-K596 WeakPolarHBondContact O-CD 3.23Å
541	T	83.9	Confident	82.1	Confident	39 Å²	39	47.5 Å²	47.5	24%	0.239	29%	0.293	C	S	.	.			trans	-103.8	158.1	179.9	45.1	0	0	0	0	113.6	P539 Q543 Y546 A650	P539-T541 PolarHBondContact O-N 3.05Å; T541-Q543 VanDerWaalsContact CB-O 3.28Å; T541-Q543 WeakPolarHBondContact CB-O 3.45Å; T541-Q543 PolarHBondContact O-N 2.96Å; T541-Q543 PolarHBondContact OG1-O 3.4Å; T541-Y546 HydrophobicContact CG2-CE1 3.9Å; T541-Y546 HydrophobicContact CG2-CE2 3.98Å; T541-Y546 VanDerWaalsContact CG2-CZ 3.47Å; T541-Y546 VanDerWaalsContact CG2-OH 3.29Å; T541-Y546 WeakPolarHBondContact CG2-OH 3.2Å; T541-A650 HydrophobicContact CG2-CB 3.71Å
542	S	78.7	Confident	84.2	Confident	72 Å²	72	41.9 Å²	41.9	50%	0.503	25%	0.254	S	S	.	.	S	Bend	trans	-70.1	-14.1	178	-52.3	0	0	0	0	113.9	E652	S542-E652 VanDerWaalsContact CB-OE1 3.28Å; S542-E652 WeakPolarHBondContact CB-OE1 3.5Å; S542-E652 PolarHBondContact N-OE1 3.15Å; S542-E652 PolarHBondContact OG-OE1 3.04Å; S542-E652 PolarHBondContact OG-OE2 3.09Å
543	Q	78.8	Confident	85.4	Confident	75 Å²	75	45 Å²	45	35%	0.35	25%	0.253	S	S	.	.	S	Bend	trans	-153.5	160.2	174.4	58.2	176.7	0	0	0	109.3	T541 H545 L668	T541-Q543 VanDerWaalsContact CB-O 3.28Å; T541-Q543 WeakPolarHBondContact CB-O 3.45Å; T541-Q543 PolarHBondContact O-N 2.96Å; T541-Q543 PolarHBondContact OG1-O 3.4Å; Q543-H545 VanDerWaalsContact C-N 3.31Å; Q543-H545 PolarHBondContact O-N 2.9Å; Q543-L668 HydrophobicContact CG-CD2 4.08Å
544	G	71.8	Confident	86.5	Confident	39 Å²	39	49.1 Å²	49.1	40%	0.402	27%	0.272	S	S	.	.	S	Bend	trans	-86	16.8	-175.1	0	0	0	0	0	116.3	H452	H452-G544 PolarHBondContact ND1-O 3.02Å
545	H	82.5	Confident	87.3	Confident	29 Å²	29	47 Å²	47	13%	0.134	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.4	178.7	177.1	46.1	0	0	0	109.3	H452 Q543 Q671	H452-H545 AromaticContact CD2-ND1 3.68Å; H452-H545 AromaticContact NE2-CG 3.86Å; H452-H545 AromaticContact NE2-ND1 3.55Å; H452-H545 WeakPolarHBondContact O-CA 3.14Å; H452-H545 PolarHBondContact O-ND1 2.94Å; Q543-H545 VanDerWaalsContact C-N 3.31Å; Q543-H545 PolarHBondContact O-N 2.9Å; H545-Q671 PolarHBondContact O-OE1 3.4Å
546	Y	87	Confident	87.6	Confident	2 Å²	2	50 Å²	50	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	141.4	173	-77.7	-104.3	0	0	0	109.8	L451 H452 P539 T541 A650 Q671 F672 L673	L451-Y546 HydrophobicContact CB-CD2 3.82Å; L451-Y546 HydrophobicContact CB-CE2 3.83Å; L451-Y546 HydrophobicContact CD1-CD2 4.45Å; L451-Y546 HydrophobicContact CD2-CD2 3.76Å; L451-Y546 HydrophobicContact CD2-CE2 3.49Å; L451-Y546 VanDerWaalsContact CD2-CE2 3.49Å; L451-Y546 HydrophobicContact CG-CD2 4.23Å; L451-Y546 HydrophobicContact CG-CE2 4.26Å; H452-Y546 PolarHBondContact O-N 2.88Å; P539-Y546 PolarHBondContact O-OH 3.16Å; T541-Y546 HydrophobicContact CG2-CE1 3.9Å; T541-Y546 HydrophobicContact CG2-CE2 3.98Å; T541-Y546 VanDerWaalsContact CG2-CZ 3.47Å; T541-Y546 VanDerWaalsContact CG2-OH 3.29Å; T541-Y546 WeakPolarHBondContact CG2-OH 3.2Å; Y546-A650 HydrophobicContact CE1-CB 4.43Å; Y546-Q671 HydrophobicContact CD1-CB 4.33Å; Y546-F672 VanDerWaalsContact CD1-C 3.46Å; Y546-L673 HydrophobicContact CD1-CB 3.83Å; Y546-L673 HydrophobicContact CE1-CB 3.58Å; Y546-L673 HydrophobicContact CE1-CD1 4.46Å
547	G	89	Confident	87.9	Confident	1 Å²	1	47 Å²	47	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.2	-162	-167.7	0	0	0	0	0	113.2	W670 Q671	G547-W670 WeakPolarHBondContact O-CA 3.42Å; G547-Q671 PolarHBondContact N-O 3.5Å; G547-Q671 PolarHBondContact O-N 2.8Å
548	P	90.2	Very high	88.1	Confident	46 Å²	46	47.6 Å²	47.6	30%	0.299	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.2	-179.5	28.7	-34	0	0	0	112.3	A552 V669 W670	P548-A552 HydrophobicContact CB-CB 4.09Å; P548-V669 CarbonylContact C-O 3.6Å; P548-V669 WeakPolarHBondContact CA-O 3.45Å; P548-W670 HydrophobicContact CB-CD2 3.97Å; P548-W670 HydrophobicContact CB-CE3 3.88Å; P548-W670 HydrophobicContact CB-CH2 4.1Å; P548-W670 HydrophobicContact CB-CZ2 4.17Å; P548-W670 HydrophobicContact CB-CZ3 3.95Å; P548-W670 HydrophobicContact CG-CH2 4.39Å; P548-W670 HydrophobicContact CG-CZ2 4.25Å
549	A	90.8	Very high	88.2	Confident	14 Å²	14	46.9 Å²	46.9	12%	0.116	25%	0.254	C	S	.	.			trans	-87.4	168.7	172	0	0	0	0	0	111.7	K551 A552 L668 V669	A549-K551 PolarHBondContact O-N 2.83Å; A549-K551 VanDerWaalsContact O-N 3.11Å; A549-A552 WeakPolarHBondContact O-CB 3.27Å; A549-A552 PolarHBondContact O-N 3.33Å; A549-L668 HydrophobicContact CB-CG 4.29Å; A549-L668 WeakPolarHBondContact CB-O 3.32Å; A549-V669 PolarHBondContact N-O 2.84Å
550	E	86.6	Confident	88.2	Confident	144 Å²	144	48.1 Å²	48.1	67%	0.673	26%	0.262	S	S	*	.	H	α-helix	trans	-54	-35.8	-177.6	-62.2	-175.3	147.7	0	0	113.2	K427 A552 K553	K427-E550 WeakPolarHBondContact CE-OE1 3.48Å; K427-E550 IonicContact NZ-OE1 3.26Å; K427-E550 PolarHBondContact NZ-OE1 3Å; E550-A552 VanDerWaalsContact C-N 3.34Å; E550-A552 PolarHBondContact O-N 3.29Å; E550-K553 PolarHBondContact O-N 3.13Å
551	K	91.7	Very high	88.4	Confident	36 Å²	36	48.5 Å²	48.5	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-28.9	179.7	-162.2	83.2	-167.8	171.9	0	113.4	A549 K553 E554 L555 F667 L668 V669	A549-K551 PolarHBondContact O-N 2.83Å; A549-K551 VanDerWaalsContact O-N 3.11Å; K551-K553 PolarHBondContact O-N 3.38Å; K551-E554 WeakPolarHBondContact CD-OE2 3.38Å; K551-E554 WeakPolarHBondContact CE-OE2 3.17Å; K551-E554 IonicContact NZ-OE1 2.7Å; K551-E554 PolarHBondContact NZ-OE1 3.16Å; K551-E554 IonicContact NZ-OE2 2.74Å; K551-E554 PolarHBondContact NZ-OE2 2.88Å; K551-E554 PolarHBondContact O-N 3.41Å; K551-L555 HydrophobicContact CG-CD1 4.02Å; K551-L555 HydrophobicContact CG-CG 4.27Å; K551-L555 PolarHBondContact O-N 2.87Å; K551-F667 HydrophobicContact CB-CB 4.2Å; K551-F667 HydrophobicContact CD-CB 3.84Å; K551-F667 HydrophobicContact CD-CD2 4.16Å; K551-F667 HydrophobicContact CD-CG 4.06Å; K551-F667 HydrophobicContact CG-CB 3.77Å; K551-L668 WeakPolarHBondContact CB-O 3.17Å; K551-V669 HydrophobicContact CB-CG1 4.02Å; K551-V669 HydrophobicContact CG-CG1 4.11Å
552	A	92.8	Very high	88.5	Confident	2 Å²	2	53 Å²	53	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-39.3	176.7	0	0	0	0	0	111.2	P548 A549 E550 E554 L555 D556 L557 V669 W670	P548-A552 HydrophobicContact CB-CB 4.09Å; A549-A552 WeakPolarHBondContact O-CB 3.27Å; A549-A552 PolarHBondContact O-N 3.33Å; E550-A552 VanDerWaalsContact C-N 3.34Å; E550-A552 PolarHBondContact O-N 3.29Å; A552-E554 VanDerWaalsContact C-N 3.35Å; A552-E554 PolarHBondContact O-N 3.08Å; A552-L555 CarbonylContact O-C 3.54Å; A552-L555 PolarHBondContact O-N 3.17Å; A552-D556 PolarHBondContact O-N 3.41Å; A552-D556 VanDerWaalsContact O-N 3.13Å; A552-L557 HydrophobicContact CB-CB 4.37Å; A552-L557 PolarHBondContact O-N 3.13Å; A552-V669 HydrophobicContact CB-CB 4.13Å; A552-V669 WeakPolarHBondContact CB-O 3.17Å; A552-W670 HydrophobicContact CB-CE3 4.39Å
553	K	89.7	Confident	88.7	Confident	141 Å²	141	53.2 Å²	53.2	61%	0.613	28%	0.278	S	S	*	.	H	α-helix	trans	-69.2	-29.9	175.9	-172.9	172.2	-179.5	170.6	0	113.1	E550 K551	E550-K553 PolarHBondContact O-N 3.13Å; K551-K553 PolarHBondContact O-N 3.38Å
554	E	91.4	Very high	89.3	Confident	132 Å²	132	51.8 Å²	51.8	62%	0.617	27%	0.273	S	S	*	.	H	α-helix	trans	-74.4	-29.5	175.3	-162.5	-166.5	134.6	0	0	112.2	K551 A552	K551-E554 WeakPolarHBondContact CD-OE2 3.38Å; K551-E554 WeakPolarHBondContact CE-OE2 3.17Å; K551-E554 IonicContact NZ-OE1 2.7Å; K551-E554 PolarHBondContact NZ-OE1 3.16Å; K551-E554 IonicContact NZ-OE2 2.74Å; K551-E554 PolarHBondContact NZ-OE2 2.88Å; K551-E554 PolarHBondContact O-N 3.41Å; A552-E554 VanDerWaalsContact C-N 3.35Å; A552-E554 PolarHBondContact O-N 3.08Å
555	L	93.9	Very high	90	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.105	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.4	176.9	-63.3	174.8	0	0	0	113.2	K551 A552 L557 P589 P657 V669	K551-L555 HydrophobicContact CG-CD1 4.02Å; K551-L555 HydrophobicContact CG-CG 4.27Å; K551-L555 PolarHBondContact O-N 2.87Å; A552-L555 CarbonylContact O-C 3.54Å; A552-L555 PolarHBondContact O-N 3.17Å; L555-L557 HydrophobicContact CB-CB 4.4Å; L555-L557 PolarHBondContact O-N 2.87Å; L555-P589 HydrophobicContact CB-CB 4.47Å; L555-P589 HydrophobicContact CD1-CB 4.29Å; L555-P657 HydrophobicContact CD2-CB 4.34Å; L555-P657 HydrophobicContact CD2-CG 4Å; L555-V669 HydrophobicContact CD1-CG1 3.81Å
556	D	93.4	Very high	90.4	Very high	86 Å²	86	54.9 Å²	54.9	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	27.6	-171.7	-82.9	-48.7	0	0	0	114.3	A552 T581 K582	A552-D556 PolarHBondContact O-N 3.41Å; A552-D556 VanDerWaalsContact O-N 3.13Å; D556-T581 CarbonylContact O-C 3.57Å; D556-T581 WeakPolarHBondContact O-CA 3.26Å; D556-K582 HydrophobicContact CB-CB 4.18Å; D556-K582 PolarHBondContact O-N 3.03Å
557	L	95.3	Very high	90.5	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128	-173.3	-172.4	69.3	0	0	0	111.4	A552 L555 F579 P589 L591 V669	A552-L557 HydrophobicContact CB-CB 4.37Å; A552-L557 PolarHBondContact O-N 3.13Å; L555-L557 HydrophobicContact CB-CB 4.4Å; L555-L557 PolarHBondContact O-N 2.87Å; L557-F579 HydrophobicContact CD1-CB 3.9Å; L557-F579 HydrophobicContact CD1-CD1 4.41Å; L557-F579 HydrophobicContact CD1-CG 4.5Å; L557-F579 HydrophobicContact CD2-CD1 4.32Å; L557-F579 HydrophobicContact CG-CD1 4.25Å; L557-P589 HydrophobicContact CD1-CG 3.81Å; L557-L591 HydrophobicContact CD2-CD1 4.39Å; L557-L591 HydrophobicContact CD2-CD2 3.9Å; L557-V669 HydrophobicContact CD2-CB 3.98Å; L557-V669 HydrophobicContact CD2-CG1 4.41Å; L557-V669 HydrophobicContact CD2-CG2 3.7Å
558	I	93.8	Very high	90.8	Very high	34 Å²	34	58.5 Å²	58.5	17%	0.174	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.3	175.4	60.6	169.8	0	0	0	110.8	E562 F579 T580 K582	I558-E562 HydrophobicContact CB-CG 4.45Å; I558-E562 HydrophobicContact CD1-CG 4.42Å; I558-E562 HydrophobicContact CG2-CG 4.48Å; I558-F579 CarbonylContact O-C 3.59Å; I558-F579 VanDerWaalsContact O-CA 3.28Å; I558-F579 WeakPolarHBondContact O-CA 3.33Å; I558-T580 HydrophobicContact CD1-CG2 3.94Å; I558-T580 HydrophobicContact CG1-CG2 3.71Å; I558-T580 WeakPolarHBondContact CG1-O 3.17Å; I558-T580 PolarHBondContact N-O 2.77Å; I558-T580 PolarHBondContact O-N 3.43Å; I558-T580 VanDerWaalsContact O-O 3.07Å; I558-K582 HydrophobicContact CG2-CB 4.42Å
559	T	94.2	Very high	91	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	163.7	169	46.3	0	0	0	0	111.3	P561 E562 L564 I577 K578 F579 W670 F672	T559-P561 CarbonylContact C-O 3.56Å; T559-P561 VanDerWaalsContact CB-O 3.26Å; T559-P561 WeakPolarHBondContact CB-O 3.36Å; T559-P561 CarbonylContact O-C 3.57Å; T559-P561 PolarHBondContact OG1-O 2.87Å; T559-E562 WeakPolarHBondContact O-CA 3.4Å; T559-E562 PolarHBondContact O-N 3.08Å; T559-L564 HydrophobicContact CG2-CB 4.32Å; T559-L564 HydrophobicContact CG2-CD2 3.88Å; T559-I577 HydrophobicContact CG2-CG2 4.35Å; T559-K578 CarbonylContact C-O 3.5Å; T559-K578 VanDerWaalsContact CA-O 3.3Å; T559-K578 WeakPolarHBondContact CA-O 3.47Å; T559-F579 HydrophobicContact CG2-CD1 3.92Å; T559-F579 HydrophobicContact CG2-CE1 3.66Å; T559-F579 HydrophobicContact CG2-CZ 4.43Å; T559-W670 HydrophobicContact CG2-CD2 4.33Å; T559-W670 HydrophobicContact CG2-CE3 4.38Å; T559-W670 HydrophobicContact CG2-CH2 3.6Å; T559-W670 HydrophobicContact CG2-CZ2 3.52Å; T559-W670 HydrophobicContact CG2-CZ3 4.04Å; T559-F672 HydrophobicContact CG2-CZ 3.97Å
560	V	91.2	Very high	91.2	Very high	28 Å²	28	60.9 Å²	60.9	17%	0.17	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.5	166.5	-177.1	0	0	0	0	107.7	K578 T580 M636	V560-K578 HydrophobicContact CB-CB 4.05Å; V560-K578 PolarHBondContact N-O 3.37Å; V560-T580 HydrophobicContact CG2-CG2 3.56Å; V560-M636 HydrophobicContact CG2-SD 4.3Å
561	P	89.8	Confident	91.4	Very high	72 Å²	72	59.4 Å²	59.4	47%	0.468	30%	0.296	S	S	.	.	S	Bend	cis	-70.5	160	1.8	32.4	-37.6	0	0	0	113.9	T559 D563 L564	T559-P561 CarbonylContact C-O 3.56Å; T559-P561 VanDerWaalsContact CB-O 3.26Å; T559-P561 WeakPolarHBondContact CB-O 3.36Å; T559-P561 CarbonylContact O-C 3.57Å; T559-P561 PolarHBondContact OG1-O 2.87Å; P561-D563 PolarHBondContact O-N 3.09Å; P561-L564 HydrophobicContact CG-CB 4.38Å; P561-L564 WeakPolarHBondContact O-CB 3.37Å; P561-L564 PolarHBondContact O-N 3.31Å
562	E	86.8	Confident	91.4	Very high	133 Å²	133	61.7 Å²	61.7	62%	0.621	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-26.3	-178.4	-171.9	179.7	180	0	0	112.5	I558 T559	I558-E562 HydrophobicContact CB-CG 4.45Å; I558-E562 HydrophobicContact CD1-CG 4.42Å; I558-E562 HydrophobicContact CG2-CG 4.48Å; T559-E562 WeakPolarHBondContact O-CA 3.4Å; T559-E562 PolarHBondContact O-N 3.08Å
563	D	83	Confident	91.3	Very high	77 Å²	77	61.6 Å²	61.6	41%	0.412	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	24.2	178.4	69.3	-33.2	0	0	0	113.9	R457 P561 E565	R457-D563 WeakPolarHBondContact CD-OD2 3.14Å; R457-D563 IonicContact CZ-OD2 3.55Å; R457-D563 IonicContact NE-OD2 3.46Å; R457-D563 IonicContact NH1-OD2 3.98Å; R457-D563 PolarHBondContact NH1-OD2 2.87Å; P561-D563 PolarHBondContact O-N 3.09Å; D563-E565 PolarHBondContact O-N 3.21Å
564	L	90	Very high	91.5	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.236	29%	0.293	C	S	.	.			trans	-54.7	126.5	176.3	-176.6	64.3	0	0	0	111.6	T559 P561 L568 I577 F672	T559-L564 HydrophobicContact CG2-CB 4.32Å; T559-L564 HydrophobicContact CG2-CD2 3.88Å; P561-L564 HydrophobicContact CG-CB 4.38Å; P561-L564 WeakPolarHBondContact O-CB 3.37Å; P561-L564 PolarHBondContact O-N 3.31Å; L564-L568 HydrophobicContact CD1-CD2 3.95Å; L564-L568 HydrophobicContact CG-CD2 4.34Å; L564-I577 HydrophobicContact CD2-CG2 3.79Å; L564-F672 HydrophobicContact CD2-CE1 3.89Å; L564-F672 HydrophobicContact CD2-CZ 4.26Å; L564-F672 HydrophobicContact CG-CE1 4.32Å
565	E	87.1	Confident	91.7	Very high	122 Å²	122	51.3 Å²	51.3	57%	0.57	27%	0.268	S	S	*	.			trans	-67.1	153.8	-179.1	-63.1	-172.5	167.2	0	0	112.2	D563 L568	D563-E565 PolarHBondContact O-N 3.21Å; E565-L568 WeakPolarHBondContact O-CD2 3.45Å
566	T	89.7	Confident	91.7	Very high	10 Å²	10	53.6 Å²	53.6	6%	0.061	28%	0.278	C	S	.	.	S	Bend	trans	-85.5	-18	-175.5	82.1	0	0	0	0	113	E453 F672 L673	E453-T566 HydrophobicContact CB-CG2 4.11Å; E453-T566 VanDerWaalsContact CB-OG1 3.28Å; E453-T566 WeakPolarHBondContact CB-OG1 3.49Å; E453-T566 PolarHBondContact OE2-OG1 2.89Å; T566-F672 WeakPolarHBondContact O-CA 3.26Å; T566-L673 PolarHBondContact O-N 3.31Å
567	Q	90.4	Very high	91.9	Very high	57 Å²	57	49.7 Å²	49.7	27%	0.266	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.3	174.2	-62.1	-178	25.9	0	0	108.7	H464 L673	H464-Q567 PolarHBondContact CD2-NE2 3.16Å; H464-Q567 VanDerWaalsContact CD2-NE2 3.33Å; H464-Q567 PolarHBondContact CE1-NE2 2.86Å; H464-Q567 PolarHBondContact NE2-NE2 3.01Å; Q567-L673 CarbonylContact C-O 3.48Å; Q567-L673 WeakPolarHBondContact CA-O 3.46Å; Q567-L673 HydrophobicContact CG-CB 4.29Å; Q567-L673 HydrophobicContact CG-CD2 4.3Å
568	L	94.2	Very high	91.9	Very high	22 Å²	22	52.2 Å²	52.2	12%	0.115	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.7	-173.1	-59	174.7	0	0	0	109.6	L564 E565 L575 I577 F672 L673 I674 N675	L564-L568 HydrophobicContact CD1-CD2 3.95Å; L564-L568 HydrophobicContact CG-CD2 4.34Å; E565-L568 WeakPolarHBondContact O-CD2 3.45Å; L568-L575 HydrophobicContact CB-CD1 4.31Å; L568-L575 HydrophobicContact CB-CD2 4.35Å; L568-L575 HydrophobicContact CD1-CD1 4.36Å; L568-L575 HydrophobicContact CD1-CD2 3.89Å; L568-I577 HydrophobicContact CD1-CD1 3.59Å; L568-I577 HydrophobicContact CD1-CG1 4.09Å; L568-F672 HydrophobicContact CD1-CB 4.14Å; L568-F672 HydrophobicContact CD1-CD1 3.56Å; L568-F672 HydrophobicContact CD1-CE1 4.19Å; L568-F672 HydrophobicContact CD1-CG 4.01Å; L568-F672 HydrophobicContact CG-CD1 4.18Å; L568-L673 PolarHBondContact N-O 3.25Å; L568-I674 CarbonylContact O-C 3.58Å; L568-I674 WeakPolarHBondContact O-CA 3.23Å; L568-N675 PolarHBondContact O-N 3.04Å
569	N	94.5	Very high	92	Very high	107 Å²	107	50.6 Å²	50.6	57%	0.572	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.9	173.8	-67.5	-52.8	0	0	0	109.9	N675	N569-N675 CarbonylContact C-O 3.6Å; N569-N675 WeakPolarHBondContact CA-O 3.15Å; N569-N675 PolarHBondContact OD1-ND2 3.4Å; N569-N675 VanDerWaalsContact OD1-ND2 3.11Å
570	C	94.8	Very high	92	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.4	-179.5	-175.4	0	0	0	0	110.5	G573 L574 L643 I674 N675 S676 E677	C570-G573 PolarHBondContact SG-N 3.15Å; C570-G573 VanDerWaalsContact SG-N 3.39Å; C570-L574 PolarHBondContact SG-N 2.81Å; C570-L574 PolarHBondContact SG-O 2.96Å; C570-L574 VanDerWaalsContact SG-O 3.38Å; C570-L643 HydrophobicContact CB-CD1 3.93Å; C570-I674 HydrophobicContact CB-CG2 4.16Å; C570-N675 PolarHBondContact N-O 3.07Å; C570-S676 CarbonylContact O-C 3.56Å; C570-S676 VanDerWaalsContact O-CA 3.32Å; C570-S676 WeakPolarHBondContact O-CA 3.38Å; C570-E677 PolarHBondContact O-N 3.15Å
571	H	92.3	Very high	92.2	Very high	112 Å²	112	49.7 Å²	49.7	52%	0.519	25%	0.254	S	S	.	.	S	Bend	trans	-103.7	5.2	-175.2	-48	88.8	0	0	0	112.6	E677 F678	H571-E677 IonicContact CD2-OE2 2.7Å; H571-E677 PolarHBondContact CD2-OE2 3.13Å; H571-F678 WeakPolarHBondContact O-CD2 3.32Å
572	T	90.4	Very high	92.2	Very high	85 Å²	85	52.8 Å²	52.8	52%	0.521	26%	0.261	S	S	.	.	S	Bend	trans	-126.4	-15.5	-174.7	56	0	0	0	0	113.3	L574	T572-L574 PolarHBondContact O-N 3.39Å; T572-L574 PolarHBondContact OG1-N 3.22Å; T572-L574 VanDerWaalsContact OG1-N 3.07Å; T572-L574 PolarHBondContact OG1-O 3.16Å
573	G	91.6	Very high	92.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	77.5	0.2	-164.6	0	0	0	0	0	114.1	C570 L643 F678	C570-G573 PolarHBondContact SG-N 3.15Å; C570-G573 VanDerWaalsContact SG-N 3.39Å; G573-L643 WeakPolarHBondContact O-CB 3.28Å; G573-L643 PolarHBondContact O-N 2.78Å; G573-F678 WeakPolarHBondContact CA-O 3.3Å
574	L	93.3	Very high	92.2	Very high	37 Å²	37	49.3 Å²	49.3	19%	0.194	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.6	175	-169	70.7	0	0	0	109.7	C570 T572 T640 Y642 I680	C570-L574 PolarHBondContact SG-N 2.81Å; C570-L574 PolarHBondContact SG-O 2.96Å; C570-L574 VanDerWaalsContact SG-O 3.38Å; T572-L574 PolarHBondContact O-N 3.39Å; T572-L574 PolarHBondContact OG1-N 3.22Å; T572-L574 VanDerWaalsContact OG1-N 3.07Å; T572-L574 PolarHBondContact OG1-O 3.16Å; L574-T640 HydrophobicContact CD1-CG2 3.41Å; L574-T640 VanDerWaalsContact CD1-CG2 3.41Å; L574-T640 HydrophobicContact CG-CG2 3.99Å; L574-Y642 HydrophobicContact CD1-CD1 3.37Å; L574-Y642 HydrophobicContact CD1-CD2 4.42Å; L574-Y642 HydrophobicContact CD1-CE1 3.36Å; L574-Y642 HydrophobicContact CD1-CE2 4.39Å; L574-Y642 HydrophobicContact CD1-CG 3.94Å; L574-I680 HydrophobicContact CB-CD1 3.9Å
575	L	95.5	Very high	91.7	Very high	20 Å²	20	54.2 Å²	54.2	11%	0.105	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.9	177.5	-179.6	71.8	0	0	0	110.8	L568 I577 T640 A641 I674	L568-L575 HydrophobicContact CB-CD1 4.31Å; L568-L575 HydrophobicContact CB-CD2 4.35Å; L568-L575 HydrophobicContact CD1-CD1 4.36Å; L568-L575 HydrophobicContact CD1-CD2 3.89Å; L575-I577 HydrophobicContact CD2-CD1 4.19Å; L575-I577 HydrophobicContact CD2-CG1 4.34Å; L575-I577 HydrophobicContact CG-CG1 4.34Å; L575-T640 CarbonylContact O-C 3.5Å; L575-T640 WeakPolarHBondContact O-CA 3.33Å; L575-A641 HydrophobicContact CB-CB 4.5Å; L575-A641 PolarHBondContact N-O 2.85Å; L575-A641 PolarHBondContact O-N 3.43Å; L575-I674 HydrophobicContact CD2-CB 4.37Å; L575-I674 HydrophobicContact CD2-CD1 3.37Å; L575-I674 HydrophobicContact CD2-CG1 3.54Å; L575-I674 HydrophobicContact CD2-CG2 3.92Å
576	E	95.3	Very high	91.7	Very high	68 Å²	68	50.2 Å²	50.2	32%	0.318	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.9	170.9	-60.3	-146.5	126.8	0	0	111.9	R612 I638 L639 T640	E576-R612 IonicContact OE1-CZ 2.69Å; E576-R612 IonicContact OE1-NH1 3.78Å; E576-R612 PolarHBondContact OE1-NH1 2.95Å; E576-R612 IonicContact OE1-NH2 3.63Å; E576-R612 PolarHBondContact OE1-NH2 3.46Å; E576-R612 IonicContact OE2-NH2 3.39Å; E576-I638 HydrophobicContact CB-CG2 4.44Å; E576-L639 CarbonylContact C-O 3.47Å; E576-L639 WeakPolarHBondContact CA-O 3.32Å; E576-T640 HydrophobicContact CG-CG2 4.21Å; E576-T640 PolarHBondContact OE1-OG1 3.48Å
577	I	96.8	Very high	91.7	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132	171.9	-55.5	179.6	0	0	0	108.2	T559 L564 L568 L575 F579 L639 L651 F672	T559-I577 HydrophobicContact CG2-CG2 4.35Å; L564-I577 HydrophobicContact CD2-CG2 3.79Å; L568-I577 HydrophobicContact CD1-CD1 3.59Å; L568-I577 HydrophobicContact CD1-CG1 4.09Å; L575-I577 HydrophobicContact CD2-CD1 4.19Å; L575-I577 HydrophobicContact CD2-CG1 4.34Å; L575-I577 HydrophobicContact CG-CG1 4.34Å; I577-F579 HydrophobicContact CB-CE2 4.11Å; I577-F579 HydrophobicContact CB-CZ 4.45Å; I577-F579 HydrophobicContact CG2-CD2 4.27Å; I577-F579 HydrophobicContact CG2-CE1 4.26Å; I577-F579 HydrophobicContact CG2-CE2 3.54Å; I577-F579 HydrophobicContact CG2-CZ 3.53Å; I577-L639 PolarHBondContact N-O 2.87Å; I577-L639 PolarHBondContact O-N 3.46Å; I577-L651 HydrophobicContact CD1-CD2 3.62Å; I577-F672 HydrophobicContact CD1-CD1 4.16Å; I577-F672 HydrophobicContact CD1-CD2 3.7Å; I577-F672 HydrophobicContact CD1-CE1 4.18Å; I577-F672 HydrophobicContact CD1-CE2 3.74Å; I577-F672 HydrophobicContact CD1-CG 3.91Å; I577-F672 HydrophobicContact CD1-CZ 3.97Å; I577-F672 HydrophobicContact CG2-CE2 4.31Å; I577-F672 HydrophobicContact CG2-CZ 3.96Å
578	K	95.7	Very high	91.9	Very high	59 Å²	59	54.8 Å²	54.8	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.4	-178.5	-55.2	-167.7	179.4	-174.4	0	109.7	T559 V560 I637 I638	T559-K578 CarbonylContact C-O 3.5Å; T559-K578 VanDerWaalsContact CA-O 3.3Å; T559-K578 WeakPolarHBondContact CA-O 3.47Å; V560-K578 HydrophobicContact CB-CB 4.05Å; V560-K578 PolarHBondContact N-O 3.37Å; K578-I637 WeakPolarHBondContact CA-O 3.29Å; K578-I638 HydrophobicContact CD-CD1 4.29Å; K578-I638 HydrophobicContact CD-CG1 4.29Å; K578-I638 HydrophobicContact CG-CG1 4.11Å; K578-I638 HydrophobicContact CG-CG2 4.42Å
579	F	95.8	Very high	91.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	149.7	176.9	-60.8	-88.4	0	0	0	110.9	L557 I558 T559 I577 L591 M636 I637 L639 V653 W670 F672	L557-F579 HydrophobicContact CD1-CB 3.9Å; L557-F579 HydrophobicContact CD1-CD1 4.41Å; L557-F579 HydrophobicContact CD1-CG 4.5Å; L557-F579 HydrophobicContact CD2-CD1 4.32Å; L557-F579 HydrophobicContact CG-CD1 4.25Å; I558-F579 CarbonylContact O-C 3.59Å; I558-F579 VanDerWaalsContact O-CA 3.28Å; I558-F579 WeakPolarHBondContact O-CA 3.33Å; T559-F579 HydrophobicContact CG2-CD1 3.92Å; T559-F579 HydrophobicContact CG2-CE1 3.66Å; T559-F579 HydrophobicContact CG2-CZ 4.43Å; I577-F579 HydrophobicContact CB-CE2 4.11Å; I577-F579 HydrophobicContact CB-CZ 4.45Å; I577-F579 HydrophobicContact CG2-CD2 4.27Å; I577-F579 HydrophobicContact CG2-CE1 4.26Å; I577-F579 HydrophobicContact CG2-CE2 3.54Å; I577-F579 HydrophobicContact CG2-CZ 3.53Å; F579-L591 HydrophobicContact CB-CD1 4.3Å; F579-L591 HydrophobicContact CD2-CD1 4.06Å; F579-L591 HydrophobicContact CG-CD1 4.15Å; F579-M636 CarbonylContact O-C 3.6Å; F579-M636 WeakPolarHBondContact O-CA 3.28Å; F579-M636 WeakPolarHBondContact O-CB 3.32Å; F579-I637 HydrophobicContact CB-CB 4.44Å; F579-I637 PolarHBondContact N-O 3Å; F579-I637 PolarHBondContact O-N 3.34Å; F579-L639 HydrophobicContact CE2-CB 4.15Å; F579-L639 HydrophobicContact CE2-CD1 4.19Å; F579-V653 HydrophobicContact CZ-CG1 4.36Å; F579-V653 HydrophobicContact CZ-CG2 4.05Å; F579-W670 HydrophobicContact CD1-CE3 4.46Å; F579-W670 HydrophobicContact CE1-CB 4.45Å; F579-W670 HydrophobicContact CE1-CD2 4.16Å; F579-W670 AromaticContact CE1-CE3 3.98Å; F579-W670 HydrophobicContact CE1-CE3 3.98Å; F579-W670 HydrophobicContact CE1-CG 4.39Å; F579-F672 HydrophobicContact CE1-CE2 4.37Å; F579-F672 HydrophobicContact CE1-CZ 4.39Å; F579-F672 AromaticContact CZ-CE2 3.9Å; F579-F672 HydrophobicContact CZ-CE2 3.9Å; F579-F672 HydrophobicContact CZ-CZ 4.2Å
580	T	94.6	Very high	91.8	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	171.3	170.5	-168.2	0	0	0	0	109.4	I558 V560 H635	I558-T580 HydrophobicContact CD1-CG2 3.94Å; I558-T580 HydrophobicContact CG1-CG2 3.71Å; I558-T580 WeakPolarHBondContact CG1-O 3.17Å; I558-T580 PolarHBondContact N-O 2.77Å; I558-T580 PolarHBondContact O-N 3.43Å; I558-T580 VanDerWaalsContact O-O 3.07Å; V560-T580 HydrophobicContact CG2-CG2 3.56Å; T580-H635 PolarHBondContact OG1-O 3.49Å
581	T	93.8	Very high	91.9	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.025	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	146.3	169.6	44.7	0	0	0	0	110.6	D556 N583 S586 L588	D556-T581 CarbonylContact O-C 3.57Å; D556-T581 WeakPolarHBondContact O-CA 3.26Å; T581-N583 WeakPolarHBondContact CB-O 3.42Å; T581-N583 CarbonylContact O-C 3.55Å; T581-N583 VanDerWaalsContact O-C 3.27Å; T581-N583 PolarHBondContact O-N 3.34Å; T581-N583 VanDerWaalsContact O-N 3.16Å; T581-N583 PolarHBondContact OG1-O 2.96Å; T581-S586 WeakPolarHBondContact CB-OG 3.13Å; T581-S586 PolarHBondContact OG1-O 3.19Å; T581-S586 PolarHBondContact OG1-OG 3.4Å; T581-L588 HydrophobicContact CG2-CD2 4.49Å
582	K	90	Very high	92	Very high	138 Å²	138	50.8 Å²	50.8	60%	0.6	26%	0.255	S	S	*	.	S	Bend	trans	-57.4	-31	179.9	-173.8	176.8	-178.5	177	0	113.1	D556 I558	D556-K582 HydrophobicContact CB-CB 4.18Å; D556-K582 PolarHBondContact O-N 3.03Å; I558-K582 HydrophobicContact CG2-CB 4.42Å
583	N	89	Confident	92.3	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	24%	0.237	S	C	.	.	S	Bend	trans	-93.2	113.3	159.1	179	2.9	0	0	0	108.3	T581 Q585 S586	T581-N583 WeakPolarHBondContact CB-O 3.42Å; T581-N583 CarbonylContact O-C 3.55Å; T581-N583 VanDerWaalsContact O-C 3.27Å; T581-N583 PolarHBondContact O-N 3.34Å; T581-N583 VanDerWaalsContact O-N 3.16Å; T581-N583 PolarHBondContact OG1-O 2.96Å; N583-Q585 PolarHBondContact O-N 2.91Å; N583-Q585 PolarHBondContact OD1-N 3.01Å; N583-Q585 VanDerWaalsContact OD1-N 3.08Å; N583-S586 PolarHBondContact O-N 3.39Å; N583-S586 PolarHBondContact O-OG 3.5Å
584	P	80.7	Confident	92.5	Very high	49 Å²	49	53.1 Å²	53.1	32%	0.318	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11.1	-179.5	-23.4	34.9	0	0	0	115	I634	P584-I634 HydrophobicContact CB-CB 4.03Å; P584-I634 HydrophobicContact CB-CG2 3.59Å; P584-I634 HydrophobicContact CG-CG2 4.25Å
585	Q	80.4	Confident	92.6	Very high	148 Å²	148	51.4 Å²	51.4	69%	0.692	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.8	179.4	-59.3	-62.7	-53.1	0	0	113.5	N583	N583-Q585 PolarHBondContact O-N 2.91Å; N583-Q585 PolarHBondContact OD1-N 3.01Å; N583-Q585 VanDerWaalsContact OD1-N 3.08Å
586	S	87.7	Confident	92.6	Very high	38 Å²	38	52.3 Å²	52.3	27%	0.266	25%	0.252	S	S	.	.	S	Bend	trans	-80.6	148.8	171.8	53.4	0	0	0	0	111.3	T581 N583 L588	T581-S586 WeakPolarHBondContact CB-OG 3.13Å; T581-S586 PolarHBondContact OG1-O 3.19Å; T581-S586 PolarHBondContact OG1-OG 3.4Å; N583-S586 PolarHBondContact O-N 3.39Å; N583-S586 PolarHBondContact O-OG 3.5Å; S586-L588 PolarHBondContact O-N 3.42Å
587	K	89.9	Confident	92.5	Very high	134 Å²	134	49.8 Å²	49.8	58%	0.583	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-57	135.8	174.1	-66.3	178.8	175.8	174.9	0	110.9	A658 D659	K587-A658 HydrophobicContact CB-CB 3.49Å; K587-A658 VanDerWaalsContact CB-CB 3.49Å; K587-A658 HydrophobicContact CD-CB 4.25Å; K587-D659 WeakPolarHBondContact CD-OD1 3.35Å; K587-D659 WeakPolarHBondContact CD-OD2 3.48Å; K587-D659 IonicContact NZ-OD1 2.72Å; K587-D659 PolarHBondContact NZ-OD1 3.01Å; K587-D659 IonicContact NZ-OD2 2.74Å; K587-D659 PolarHBondContact NZ-OD2 2.81Å
588	L	92.9	Very high	92.1	Very high	29 Å²	29	51.9 Å²	51.9	15%	0.152	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-65.7	135.6	177.2	-72	175	0	0	0	111.6	T581 S586 H635 I637 A658	T581-L588 HydrophobicContact CG2-CD2 4.49Å; S586-L588 PolarHBondContact O-N 3.42Å; L588-H635 HydrophobicContact CD1-CB 3.66Å; L588-H635 HydrophobicContact CD2-CB 4.37Å; L588-H635 HydrophobicContact CG-CB 3.86Å; L588-I637 HydrophobicContact CB-CD1 4.21Å; L588-I637 HydrophobicContact CB-CG1 4.29Å; L588-I637 HydrophobicContact CD1-CG1 3.75Å; L588-I637 HydrophobicContact CD2-CD1 4.5Å; L588-I637 HydrophobicContact CD2-CG1 4.19Å; L588-I637 HydrophobicContact CG-CG1 4.31Å; L588-A658 WeakPolarHBondContact O-CB 3.47Å
589	P	94.4	Very high	91.8	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.045	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-67.2	151.5	173.1	28.5	-33.5	0	0	0	111.1	L555 L557 L591 I637 A656	L555-P589 HydrophobicContact CB-CB 4.47Å; L555-P589 HydrophobicContact CD1-CB 4.29Å; L557-P589 HydrophobicContact CD1-CG 3.81Å; P589-L591 HydrophobicContact CG-CD2 4.46Å; P589-L591 PolarHBondContact O-N 2.84Å; P589-I637 VanDerWaalsContact O-CD1 3.22Å; P589-I637 WeakPolarHBondContact O-CD1 3.31Å; P589-A656 CarbonylContact C-O 3.51Å; P589-A656 WeakPolarHBondContact CA-O 3.5Å; P589-A656 WeakPolarHBondContact CB-O 3.24Å
590	R	93.9	Very high	91.5	Very high	71 Å²	71	55.2 Å²	55.2	27%	0.268	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125	172.6	-67.2	167.7	62.2	-145.7	3.2	108.4	G655 A656 S660 D661 Y666	R590-G655 CarbonylContact O-C 3.55Å; R590-G655 VanDerWaalsContact O-CA 3.28Å; R590-G655 WeakPolarHBondContact O-CA 3.43Å; R590-A656 HydrophobicContact CB-CB 4.49Å; R590-A656 PolarHBondContact N-O 3.23Å; R590-A656 PolarHBondContact O-N 3.06Å; R590-S660 PolarHBondContact NH1-O 3.13Å; R590-S660 PolarHBondContact NH1-OG 3.05Å; R590-D661 PolarHBondContact NH1-O 3.39Å; R590-Y666 HydrophobicContact CB-CE1 4.14Å; R590-Y666 VanDerWaalsContact CZ-OH 3.31Å; R590-Y666 PolarHBondContact NE-OH 2.85Å; R590-Y666 PolarHBondContact NH2-OH 3.37Å; R590-Y666 WeakPolarHBondContact O-CE1 3.32Å
591	L	95.9	Very high	91.3	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151	177.6	-63.6	-172.3	0	0	0	112.3	L557 F579 P589 I637 V653 Y654 V669	L557-L591 HydrophobicContact CD2-CD1 4.39Å; L557-L591 HydrophobicContact CD2-CD2 3.9Å; F579-L591 HydrophobicContact CB-CD1 4.3Å; F579-L591 HydrophobicContact CD2-CD1 4.06Å; F579-L591 HydrophobicContact CG-CD1 4.15Å; P589-L591 HydrophobicContact CG-CD2 4.46Å; P589-L591 PolarHBondContact O-N 2.84Å; L591-I637 HydrophobicContact CB-CD1 4.34Å; L591-I637 HydrophobicContact CD1-CB 4.32Å; L591-I637 HydrophobicContact CD1-CD1 3.54Å; L591-I637 HydrophobicContact CD1-CG2 4.22Å; L591-I637 HydrophobicContact CG-CD1 3.57Å; L591-V653 HydrophobicContact CD1-CG1 4.17Å; L591-V653 HydrophobicContact CD2-CG1 4.4Å; L591-Y654 WeakPolarHBondContact CA-O 3.3Å; L591-V669 HydrophobicContact CD2-CG2 4.18Å
592	T	95	Very high	91.1	Very high	62 Å²	62	65.1 Å²	65.1	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163	162.2	-170.4	0	0	0	0	108.5	Y654 Y666	T592-Y654 PolarHBondContact N-O 3.46Å; T592-Y654 PolarHBondContact O-N 3.49Å; T592-Y654 VanDerWaalsContact O-O 3.08Å; T592-Y666 HydrophobicContact CG2-CD1 3.63Å; T592-Y666 HydrophobicContact CG2-CE1 4.01Å; T592-Y666 HydrophobicContact CG2-CG 4Å
593	A	96.6	Very high	91.1	Very high	19 Å²	19	62 Å²	62	16%	0.157	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.8	-178.8	0	0	0	0	0	112.7	I609 L639 L651 E652 V653	A593-I609 HydrophobicContact CB-CD1 3.7Å; A593-I609 HydrophobicContact CB-CG2 4.43Å; A593-L639 HydrophobicContact CB-CD1 3.61Å; A593-L639 HydrophobicContact CB-CG 4.49Å; A593-L651 HydrophobicContact CB-CD1 4.03Å; A593-E652 CarbonylContact C-O 3.5Å; A593-E652 WeakPolarHBondContact CA-O 3.36Å; A593-E652 WeakPolarHBondContact CB-O 3.48Å; A593-V653 HydrophobicContact CB-CG2 4.28Å
594	R	95.2	Very high	91.2	Very high	115 Å²	115	60.2 Å²	60.2	43%	0.434	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	133.9	179.9	-177.3	172.2	177.8	173.5	0.5	111.5	E652 Y654	R594-E652 PolarHBondContact N-O 3.37Å; R594-E652 PolarHBondContact O-N 2.92Å; R594-Y654 HydrophobicContact CB-CE2 4.48Å
595	L	96	Very high	91.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.1	167.2	-73.1	168.3	0	0	0	111	L605 C608 I609 A641 L643 A650 L651 I674	L595-L605 HydrophobicContact CB-CB 4.09Å; L595-L605 HydrophobicContact CB-CD1 4.5Å; L595-C608 HydrophobicContact CD1-CB 4Å; L595-I609 HydrophobicContact CD1-CG1 4.21Å; L595-I609 HydrophobicContact CG-CD1 4.11Å; L595-I609 HydrophobicContact CG-CG1 4.21Å; L595-A641 HydrophobicContact CD1-CB 4.38Å; L595-L643 HydrophobicContact CD1-CD2 4Å; L595-L643 HydrophobicContact CD2-CD2 4.05Å; L595-A650 CarbonylContact C-O 3.55Å; L595-A650 WeakPolarHBondContact CA-O 3.47Å; L595-L651 HydrophobicContact CD2-CB 4.11Å; L595-L651 HydrophobicContact CD2-CD1 4.02Å; L595-L651 HydrophobicContact CG-CD1 4.34Å; L595-I674 HydrophobicContact CD2-CD1 4.11Å
596	K	94.4	Very high	92.3	Very high	39 Å²	39	54.1 Å²	54.1	17%	0.17	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.8	171.7	-66.5	-179.7	176.5	169.8	0	109	P540 Y649 A650 E652	P540-K596 WeakPolarHBondContact O-CD 3.23Å; K596-Y649 CarbonylContact O-C 3.53Å; K596-Y649 VanDerWaalsContact O-CA 3.23Å; K596-Y649 WeakPolarHBondContact O-CA 3.2Å; K596-A650 HydrophobicContact CB-CB 4.38Å; K596-A650 PolarHBondContact N-O 2.86Å; K596-A650 PolarHBondContact O-N 2.91Å; K596-E652 WeakPolarHBondContact CE-OE2 3.43Å; K596-E652 IonicContact NZ-OE1 2.68Å; K596-E652 IonicContact NZ-OE2 2.69Å; K596-E652 PolarHBondContact NZ-OE2 2.86Å
597	S	93.8	Very high	92.6	Very high	14 Å²	14	55.2 Å²	55.2	10%	0.098	29%	0.286	C	S	.	.			trans	-150	155.2	178.2	-173.6	0	0	0	0	109.6	I599 H600 E648	S597-I599 VanDerWaalsContact C-N 3.34Å; S597-H600 PolarHBondContact OG-ND1 2.67Å; S597-E648 WeakPolarHBondContact CB-O 2.95Å; S597-E648 PolarHBondContact OG-O 2.88Å
598	S	89.3	Confident	92.8	Very high	47 Å²	47	48.9 Å²	48.9	33%	0.329	26%	0.259	S	S	.	.	S	Bend	trans	-78.7	-17.2	177.4	-53.8	0	0	0	0	113.2	P537 P539	P537-S598 PolarHBondContact O-OG 3.17Å; P537-S598 VanDerWaalsContact O-OG 3.1Å; P539-S598 WeakPolarHBondContact CA-OG 3.41Å
599	I	88.7	Confident	92.9	Very high	100 Å²	100	48.4 Å²	48.4	51%	0.513	26%	0.256	S	S	.	.	S	Bend	trans	-120.3	-5.4	-173.2	60.5	169	0	0	0	114.3	L536 S597	L536-I599 HydrophobicContact CD1-CG2 3.35Å; S597-I599 VanDerWaalsContact C-N 3.34Å
600	H	90.4	Very high	93	Very high	30 Å²	30	48.1 Å²	48.1	14%	0.139	25%	0.254	C	S	.	.	S	Bend	trans	-118.3	135.8	-177.6	-54.9	110.2	0	0	0	110.9	S597 M604 L605 T645 Y649	S597-H600 PolarHBondContact OG-ND1 2.67Å; H600-M604 HydrophobicContact CB-SD 4.25Å; H600-L605 HydrophobicContact CB-CD1 4.27Å; H600-L605 HydrophobicContact CB-CD2 3.88Å; H600-L605 HydrophobicContact CB-CG 4.15Å; H600-T645 PolarHBondContact CD2-OG1 3.06Å; H600-T645 PolarHBondContact CE1-OG1 2.69Å; H600-T645 VanDerWaalsContact CE1-OG1 3.24Å; H600-T645 PolarHBondContact NE2-OG1 3.03Å; H600-Y649 AromaticContact CE1-CZ 3.73Å; H600-Y649 PolarHBondContact CE1-OH 3.41Å; H600-Y649 VanDerWaalsContact CE1-OH 3.23Å; H600-Y649 AromaticContact ND1-CE1 3.55Å; H600-Y649 AromaticContact ND1-CZ 3.77Å
601	E	89.9	Confident	93	Very high	144 Å²	144	46.9 Å²	46.9	67%	0.673	25%	0.252	S	S	*	.			trans	-62.9	149.9	173.6	-66.3	-172.5	179.2	0	0	112	S603 M604 L605	E601-S603 WeakPolarHBondContact CB-OG 3.44Å; E601-S603 PolarHBondContact O-N 3.42Å; E601-S603 PolarHBondContact OE2-OG 3.48Å; E601-M604 WeakPolarHBondContact O-CB 3.4Å; E601-M604 PolarHBondContact O-N 2.87Å; E601-L605 PolarHBondContact O-N 3.47Å
602	T	89.4	Confident	93	Very high	73 Å²	73	46.1 Å²	46.1	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-34.1	175.6	-70.2	0	0	0	0	112.5	M604 L605 T606	T602-M604 PolarHBondContact O-N 3.43Å; T602-L605 PolarHBondContact O-N 2.94Å; T602-L605 VanDerWaalsContact O-N 3.12Å; T602-T606 PolarHBondContact O-N 2.72Å; T602-T606 PolarHBondContact O-OG1 2.78Å
603	S	90.1	Very high	92.9	Very high	72 Å²	72	47.7 Å²	47.7	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-56.1	-34.2	174.6	55.6	0	0	0	0	113.6	E601 R687	E601-S603 WeakPolarHBondContact CB-OG 3.44Å; E601-S603 PolarHBondContact O-N 3.42Å; E601-S603 PolarHBondContact OE2-OG 3.48Å; S603-R687 PolarHBondContact O-NH1 3.04Å
604	M	89.7	Confident	92.6	Very high	51 Å²	51	47.5 Å²	47.5	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-79.4	-27.2	178.6	-168.5	177.4	-175	0	0	112.2	H600 E601 T602 C608 P644 T645 R687	H600-M604 HydrophobicContact CB-SD 4.25Å; E601-M604 WeakPolarHBondContact O-CB 3.4Å; E601-M604 PolarHBondContact O-N 2.87Å; T602-M604 PolarHBondContact O-N 3.43Å; M604-C608 PolarHBondContact O-SG 2.8Å; M604-P644 HydrophobicContact CE-CB 3.79Å; M604-P644 HydrophobicContact CG-CB 4.28Å; M604-P644 HydrophobicContact CG-CG 4.42Å; M604-T645 HydrophobicContact CE-CG2 4Å; M604-R687 PolarHBondContact O-NH1 3.37Å; M604-R687 VanDerWaalsContact O-NH1 3.1Å
605	L	93	Very high	92.3	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-96.4	-14.2	-176.8	-52.6	-177.1	0	0	0	113.9	L595 H600 E601 T602 P644 Y649	L595-L605 HydrophobicContact CB-CB 4.09Å; L595-L605 HydrophobicContact CB-CD1 4.5Å; H600-L605 HydrophobicContact CB-CD1 4.27Å; H600-L605 HydrophobicContact CB-CD2 3.88Å; H600-L605 HydrophobicContact CB-CG 4.15Å; E601-L605 PolarHBondContact O-N 3.47Å; T602-L605 PolarHBondContact O-N 2.94Å; T602-L605 VanDerWaalsContact O-N 3.12Å; L605-P644 HydrophobicContact CD2-CG 4.44Å; L605-Y649 HydrophobicContact CD2-CD1 4.04Å; L605-Y649 HydrophobicContact CD2-CE1 3.61Å
606	T	92.2	Very high	91.6	Very high	61 Å²	61	46.8 Å²	46.8	37%	0.374	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	144.7	173.8	-55.6	0	0	0	0	109.1	T602 C608 R687	T602-T606 PolarHBondContact O-N 2.72Å; T602-T606 PolarHBondContact O-OG1 2.78Å; T606-C608 PolarHBondContact O-N 3.37Å; T606-C608 PolarHBondContact O-SG 2.89Å; T606-R687 PolarHBondContact O-NH1 2.65Å
607	D	93.7	Very high	90.9	Very high	60 Å²	60	48 Å²	48	32%	0.321	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	23	178.6	-50.3	-28.2	0	0	0	115.6	R687 K688 A691	D607-R687 HydrophobicContact CB-CB 3.96Å; D607-R687 CarbonylContact O-C 3.36Å; D607-R687 WeakPolarHBondContact O-CA 3.23Å; D607-R687 WeakPolarHBondContact O-CB 3.4Å; D607-R687 VanDerWaalsContact O-O 3.13Å; D607-K688 WeakPolarHBondContact OD2-CG 3.4Å; D607-A691 HydrophobicContact CB-CB 3.57Å
608	C	94.3	Very high	89.8	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	27%	0.273	C	S	.	.			trans	-98.4	14.7	-178.8	-63.7	0	0	0	0	114.2	L595 M604 T606 Y642 R687	L595-C608 HydrophobicContact CD1-CB 4Å; M604-C608 PolarHBondContact O-SG 2.8Å; T606-C608 PolarHBondContact O-N 3.37Å; T606-C608 PolarHBondContact O-SG 2.89Å; C608-Y642 WeakPolarHBondContact CB-O 3.43Å; C608-Y642 PolarHBondContact O-N 3.27Å; C608-R687 WeakPolarHBondContact SG-CD 3.41Å
609	I	95.5	Very high	88.4	Confident	18 Å²	18	52 Å²	52	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.6	-178	-54.7	174.3	0	0	0	109.2	A593 L595 L611 L639 T640 L651	A593-I609 HydrophobicContact CB-CD1 3.7Å; A593-I609 HydrophobicContact CB-CG2 4.43Å; L595-I609 HydrophobicContact CD1-CG1 4.21Å; L595-I609 HydrophobicContact CG-CD1 4.11Å; L595-I609 HydrophobicContact CG-CG1 4.21Å; I609-L611 HydrophobicContact CG2-CG 4.42Å; I609-L639 HydrophobicContact CG2-CD2 3.81Å; I609-L639 HydrophobicContact CG2-CG 3.83Å; I609-T640 WeakPolarHBondContact CA-O 3.26Å; I609-L651 HydrophobicContact CD1-CD1 3.68Å
610	L	95.5	Very high	87	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.9	168.9	175.3	65.7	0	0	0	108.8	T640 Y642 L690 M693 L695 L716 L869	L610-T640 PolarHBondContact N-O 2.99Å; L610-T640 PolarHBondContact O-N 3.02Å; L610-Y642 HydrophobicContact CB-CE2 4Å; L610-L690 WeakPolarHBondContact CD1-O 3.36Å; L610-M693 HydrophobicContact CD1-CB 4.46Å; L610-M693 HydrophobicContact CD1-CE 4.04Å; L610-L695 HydrophobicContact CD1-CD1 3.97Å; L610-L695 HydrophobicContact CD2-CD1 4.06Å; L610-L695 HydrophobicContact CG-CD1 4.42Å; L610-L716 HydrophobicContact CD2-CD2 3.98Å; L610-L869 HydrophobicContact CD2-CD2 3.72Å
611	L	95.7	Very high	85.1	Confident	45 Å²	45	52.5 Å²	52.5	24%	0.236	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.2	172.6	-78.5	161.4	0	0	0	109.1	I609 I637 I638 L639	I609-L611 HydrophobicContact CG2-CG 4.42Å; L611-I637 HydrophobicContact CD2-CG2 3.95Å; L611-I638 WeakPolarHBondContact CA-O 3.19Å; L611-L639 HydrophobicContact CD2-CB 3.7Å; L611-L639 HydrophobicContact CD2-CD1 4.24Å; L611-L639 HydrophobicContact CD2-CG 3.88Å
612	R	94.6	Very high	82.6	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.5	177.9	64.1	-166.9	-173.6	-84.7	8	111.4	E576 I637 I638 T640 L695 D714 P715	E576-R612 IonicContact OE1-CZ 2.69Å; E576-R612 IonicContact OE1-NH1 3.78Å; E576-R612 PolarHBondContact OE1-NH1 2.95Å; E576-R612 IonicContact OE1-NH2 3.63Å; E576-R612 PolarHBondContact OE1-NH2 3.46Å; E576-R612 IonicContact OE2-NH2 3.39Å; R612-I637 CarbonylContact O-C 3.43Å; R612-I637 WeakPolarHBondContact O-CA 3.5Å; R612-I638 HydrophobicContact CG-CB 4.09Å; R612-I638 PolarHBondContact N-O 2.74Å; R612-I638 PolarHBondContact O-N 2.84Å; R612-T640 PolarHBondContact NH1-OG1 3.04Å; R612-L695 HydrophobicContact CB-CB 4.06Å; R612-L695 HydrophobicContact CB-CD1 4.3Å; R612-D714 WeakPolarHBondContact CD-OD1 3.34Å; R612-D714 IonicContact CZ-OD1 3.66Å; R612-D714 IonicContact CZ-OD2 3.64Å; R612-D714 VanDerWaalsContact NE-CG 3.34Å; R612-D714 IonicContact NE-OD1 4Å; R612-D714 PolarHBondContact NE-OD1 3.34Å; R612-D714 IonicContact NE-OD2 3.07Å; R612-D714 PolarHBondContact NE-OD2 3.44Å; R612-D714 IonicContact NH2-OD1 3.14Å; R612-D714 IonicContact NH2-OD2 3.71Å; R612-D714 PolarHBondContact NH2-OD2 3.45Å; R612-P715 HydrophobicContact CB-CG 4.46Å
613	N	92.7	Very high	80.2	Confident	96 Å²	96	54.5 Å²	54.5	51%	0.513	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139	174.9	-63.2	-20.5	0	0	0	109.4	M636	N613-M636 CarbonylContact C-O 3.59Å; N613-M636 WeakPolarHBondContact CA-O 3.38Å
614	I	91	Very high	77.5	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.077	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.4	176.3	69.9	159.4	0	0	0	110.9	A616 H635 M636 I638 D714	I614-A616 HydrophobicContact CD1-CB 3.9Å; I614-H635 WeakPolarHBondContact O-CA 3.4Å; I614-M636 HydrophobicContact CD1-CE 3.88Å; I614-M636 HydrophobicContact CG1-CB 3.94Å; I614-M636 HydrophobicContact CG1-CE 4.22Å; I614-M636 PolarHBondContact N-O 2.68Å; I614-M636 PolarHBondContact O-N 3.29Å; I614-I638 HydrophobicContact CD1-CD1 3.61Å; I614-I638 HydrophobicContact CD1-CG1 4.19Å; I614-I638 HydrophobicContact CG1-CD1 4.12Å; I614-I638 HydrophobicContact CG1-CG1 4.24Å; I614-I638 HydrophobicContact CG2-CD1 4.2Å; I614-D714 HydrophobicContact CG2-CB 4.41Å
615	E	87.8	Confident	74.7	Confident	88 Å²	88	59.7 Å²	59.7	41%	0.411	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	98.5	171.3	-166.7	-154	130.7	0	0	109.3	R633 I634 H635	E615-R633 HydrophobicContact CG-CB 3.94Å; E615-R633 PolarHBondContact O-NH1 3.03Å; E615-R633 VanDerWaalsContact OE1-CB 3.32Å; E615-R633 WeakPolarHBondContact OE1-CB 3.35Å; E615-R633 WeakPolarHBondContact OE1-CD 3.44Å; E615-I634 WeakPolarHBondContact CA-O 3.5Å; E615-H635 IonicContact OE2-CE1 3.69Å
616	A	82.8	Confident	72.2	Confident	13 Å²	13	67.3 Å²	67.3	11%	0.107	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	168.3	-172	0	0	0	0	0	112.2	I614 I634 M636 D713	I614-A616 HydrophobicContact CD1-CB 3.9Å; A616-I634 PolarHBondContact N-O 2.95Å; A616-I634 PolarHBondContact O-N 2.66Å; A616-M636 HydrophobicContact CB-CE 3.89Å; A616-D713 HydrophobicContact CB-CB 4.14Å
617	V	79.4	Confident	69.2	Low	66 Å²	66	72.6 Å²	72.6	40%	0.4	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-77.2	132.2	172.1	-175.1	0	0	0	0	108.8	G631 R633	V617-G631 WeakPolarHBondContact CG2-O 3.44Å; V617-R633 HydrophobicContact CG2-CG 4.29Å
618	P	70.4	Confident	66.4	Low	40 Å²	40	75.5 Å²	75.5	26%	0.26	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-66.3	139.8	-179.8	25.4	-32.6	0	0	0	111.6	G620 S621 I634	P618-G620 PolarHBondContact O-N 3.17Å; P618-S621 PolarHBondContact O-N 2.8Å; P618-I634 HydrophobicContact CB-CD1 3.91Å; P618-I634 HydrophobicContact CG-CD1 4.01Å
619	P	59.5	Low	63.7	Low	103 Å²	103	83 Å²	83	67%	0.669	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	125.5	176.9	26.5	-33.3	0	0	0	110.2
620	G	58.9	Low	61.3	Low	72 Å²	72	89.8 Å²	89.8	74%	0.742	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	116	-7.1	-175.4	0	0	0	0	0	114.9	P618 L622	P618-G620 PolarHBondContact O-N 3.17Å; G620-L622 PolarHBondContact O-N 2.96Å; G620-L622 VanDerWaalsContact O-N 3.11Å
621	S	50.3	Low	59.5	Low	70 Å²	70	90.8 Å²	90.8	49%	0.49	53%	0.529	S	S	.	.			trans	-66.5	108.5	167.3	-157.1	0	0	0	0	109.7	P618 S623	P618-S621 PolarHBondContact O-N 2.8Å; S621-S623 PolarHBondContact O-N 3.48Å
622	L	39	Very low	58.3	Low	136 Å²	136	93.1 Å²	93.1	71%	0.712	55%	0.549	S	S	*	.			trans	-72	105.6	-172.9	-73.8	156.4	0	0	0	111.5	G620 F624	G620-L622 PolarHBondContact O-N 2.96Å; G620-L622 VanDerWaalsContact O-N 3.11Å; L622-F624 HydrophobicContact CB-CD2 3.83Å; L622-F624 HydrophobicContact CB-CE2 4.12Å; L622-F624 HydrophobicContact CD1-CD2 4.37Å; L622-F624 HydrophobicContact CD1-CE2 3.95Å; L622-F624 HydrophobicContact CD2-CD2 4.34Å; L622-F624 HydrophobicContact CD2-CE2 3.84Å; L622-F624 HydrophobicContact CD2-CZ 4.43Å; L622-F624 HydrophobicContact CG-CD2 4.41Å; L622-F624 HydrophobicContact CG-CE2 4.19Å; L622-F624 PolarHBondContact O-N 3.03Å
623	S	39	Very low	57.6	Low	123 Å²	123	97.4 Å²	97.4	86%	0.86	57%	0.565	S	S	*	*			trans	-75.3	63.7	164.9	49.9	0	0	0	0	111.3	S621 G625	S621-S623 PolarHBondContact O-N 3.48Å; S623-G625 PolarHBondContact O-N 3.29Å
624	F	32.4	Very low	57.4	Low	164 Å²	164	93.8 Å²	93.8	72%	0.719	55%	0.546	S	S	*	.			trans	-63.3	136	165	-85.5	-66.8	0	0	0	109.7	L622	L622-F624 HydrophobicContact CB-CD2 3.83Å; L622-F624 HydrophobicContact CB-CE2 4.12Å; L622-F624 HydrophobicContact CD1-CD2 4.37Å; L622-F624 HydrophobicContact CD1-CE2 3.95Å; L622-F624 HydrophobicContact CD2-CD2 4.34Å; L622-F624 HydrophobicContact CD2-CE2 3.84Å; L622-F624 HydrophobicContact CD2-CZ 4.43Å; L622-F624 HydrophobicContact CG-CD2 4.41Å; L622-F624 HydrophobicContact CG-CE2 4.19Å; L622-F624 PolarHBondContact O-N 3.03Å
625	G	32.3	Very low	57.3	Low	68 Å²	68	97 Å²	97	70%	0.701	56%	0.56	S	S	*	*	S	Bend	trans	-65.1	154	-166.4	0	0	0	0	0	114.7	S623	S623-G625 PolarHBondContact O-N 3.29Å
626	I	40.3	Very low	57.6	Low	168 Å²	168	93 Å²	93	86%	0.862	54%	0.542	S	S	*	.	S	Bend	trans	75.1	106.5	177.9	-46.5	177.8	0	0	0	113
627	Q	28.2	Very low	58.2	Low	172 Å²	172	92.6 Å²	92.6	80%	0.804	54%	0.538	S	S	*	.	S	Bend	trans	79.2	106.3	-171.1	-56	-171.6	5.8	0	0	115.2	I629	Q627-I629 VanDerWaalsContact C-N 3.33Å; Q627-I629 PolarHBondContact O-N 3.28Å
628	T	34.6	Very low	59	Low	121 Å²	121	89.5 Å²	89.5	74%	0.742	52%	0.519	S	S	*	.			trans	-66.7	84.7	169.8	38.7	0	0	0	0	111	H630	T628-H630 VanDerWaalsContact C-N 3.27Å; T628-H630 PolarHBondContact O-CD2 2.91Å; T628-H630 PolarHBondContact O-N 3.22Å
629	I	38.1	Very low	60.2	Low	160 Å²	160	87.6 Å²	87.6	82%	0.821	51%	0.506	S	S	*	.			trans	-67.1	97.1	154.6	-56.8	177.6	0	0	0	105.7	Q627 G631	Q627-I629 VanDerWaalsContact C-N 3.33Å; Q627-I629 PolarHBondContact O-N 3.28Å; I629-G631 PolarHBondContact O-N 3.05Å
630	H	45.3	Very low	62	Low	160 Å²	160	82.7 Å²	82.7	74%	0.741	47%	0.474	S	S	*	.			trans	-57.6	108.8	172.9	-73.3	-96.9	0	0	0	108.1	T628 S632	T628-H630 VanDerWaalsContact C-N 3.27Å; T628-H630 PolarHBondContact O-CD2 2.91Å; T628-H630 PolarHBondContact O-N 3.22Å; H630-S632 PolarHBondContact O-N 3.34Å
631	G	57	Low	63.8	Low	22 Å²	22	79.2 Å²	79.2	23%	0.227	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-55.5	124	169.2	0	0	0	0	0	108.2	V617 I629 R633	V617-G631 WeakPolarHBondContact CG2-O 3.44Å; I629-G631 PolarHBondContact O-N 3.05Å; G631-R633 PolarHBondContact O-N 3.12Å
632	S	70.2	Confident	65.9	Low	94 Å²	94	76 Å²	76	66%	0.657	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-55.5	125.8	179.7	-53.6	0	0	0	0	109	H630	H630-S632 PolarHBondContact O-N 3.34Å
633	R	80.7	Confident	68.6	Low	95 Å²	95	69.5 Å²	69.5	36%	0.358	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-61.5	144.9	173.1	-67.1	-174.7	167.2	-132.1	-4.9	109.1	E615 V617 G631 D713	E615-R633 HydrophobicContact CG-CB 3.94Å; E615-R633 PolarHBondContact O-NH1 3.03Å; E615-R633 VanDerWaalsContact OE1-CB 3.32Å; E615-R633 WeakPolarHBondContact OE1-CB 3.35Å; E615-R633 WeakPolarHBondContact OE1-CD 3.44Å; V617-R633 HydrophobicContact CG2-CG 4.29Å; G631-R633 PolarHBondContact O-N 3.12Å; R633-D713 IonicContact CZ-OD1 2.64Å; R633-D713 IonicContact CZ-OD2 2.7Å; R633-D713 IonicContact NH1-OD1 3.13Å; R633-D713 PolarHBondContact NH1-OD1 3.29Å; R633-D713 IonicContact NH1-OD2 2.74Å; R633-D713 VanDerWaalsContact NH2-CG 3.35Å; R633-D713 IonicContact NH2-OD1 3.13Å; R633-D713 PolarHBondContact NH2-OD1 3.35Å; R633-D713 IonicContact NH2-OD2 2.55Å; R633-D713 PolarHBondContact NH2-OD2 3.3Å
634	I	87.7	Confident	71.2	Confident	19 Å²	19	64.1 Å²	64.1	10%	0.097	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.3	177.5	68.2	173	0	0	0	109.5	P584 E615 A616 P618 M636	P584-I634 HydrophobicContact CB-CB 4.03Å; P584-I634 HydrophobicContact CB-CG2 3.59Å; P584-I634 HydrophobicContact CG-CG2 4.25Å; E615-I634 WeakPolarHBondContact CA-O 3.5Å; A616-I634 PolarHBondContact N-O 2.95Å; A616-I634 PolarHBondContact O-N 2.66Å; P618-I634 HydrophobicContact CB-CD1 3.91Å; P618-I634 HydrophobicContact CG-CD1 4.01Å; I634-M636 HydrophobicContact CD1-CE 4.42Å; I634-M636 HydrophobicContact CD1-CG 4.04Å; I634-M636 HydrophobicContact CD1-SD 4.03Å; I634-M636 HydrophobicContact CG1-CE 3.91Å; I634-M636 HydrophobicContact CG1-CG 3.97Å; I634-M636 HydrophobicContact CG1-SD 4.12Å
635	H	90	Very high	74	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.389	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	131.8	170.4	-63	-66.6	0	0	0	109.6	T580 L588 I614 E615	T580-H635 PolarHBondContact OG1-O 3.49Å; L588-H635 HydrophobicContact CD1-CB 3.66Å; L588-H635 HydrophobicContact CD2-CB 4.37Å; L588-H635 HydrophobicContact CG-CB 3.86Å; I614-H635 WeakPolarHBondContact O-CA 3.4Å; E615-H635 IonicContact OE2-CE1 3.69Å
636	M	93.3	Very high	76.9	Confident	4 Å²	4	56 Å²	56	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	154.1	176.7	-69.9	173.2	-77.9	0	0	111.1	V560 F579 N613 I614 A616 I634	V560-M636 HydrophobicContact CG2-SD 4.3Å; F579-M636 CarbonylContact O-C 3.6Å; F579-M636 WeakPolarHBondContact O-CA 3.28Å; F579-M636 WeakPolarHBondContact O-CB 3.32Å; N613-M636 CarbonylContact C-O 3.59Å; N613-M636 WeakPolarHBondContact CA-O 3.38Å; I614-M636 HydrophobicContact CD1-CE 3.88Å; I614-M636 HydrophobicContact CG1-CB 3.94Å; I614-M636 HydrophobicContact CG1-CE 4.22Å; I614-M636 PolarHBondContact N-O 2.68Å; I614-M636 PolarHBondContact O-N 3.29Å; A616-M636 HydrophobicContact CB-CE 3.89Å; I634-M636 HydrophobicContact CD1-CE 4.42Å; I634-M636 HydrophobicContact CD1-CG 4.04Å; I634-M636 HydrophobicContact CD1-SD 4.03Å; I634-M636 HydrophobicContact CG1-CE 3.91Å; I634-M636 HydrophobicContact CG1-CG 3.97Å; I634-M636 HydrophobicContact CG1-SD 4.12Å
637	I	95.1	Very high	79.4	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.4	167.3	-47.4	173.1	0	0	0	107.1	K578 F579 L588 P589 L591 L611 R612	K578-I637 WeakPolarHBondContact CA-O 3.29Å; F579-I637 HydrophobicContact CB-CB 4.44Å; F579-I637 PolarHBondContact N-O 3Å; F579-I637 PolarHBondContact O-N 3.34Å; L588-I637 HydrophobicContact CB-CD1 4.21Å; L588-I637 HydrophobicContact CB-CG1 4.29Å; L588-I637 HydrophobicContact CD1-CG1 3.75Å; L588-I637 HydrophobicContact CD2-CD1 4.5Å; L588-I637 HydrophobicContact CD2-CG1 4.19Å; L588-I637 HydrophobicContact CG-CG1 4.31Å; P589-I637 VanDerWaalsContact O-CD1 3.22Å; P589-I637 WeakPolarHBondContact O-CD1 3.31Å; L591-I637 HydrophobicContact CB-CD1 4.34Å; L591-I637 HydrophobicContact CD1-CB 4.32Å; L591-I637 HydrophobicContact CD1-CD1 3.54Å; L591-I637 HydrophobicContact CD1-CG2 4.22Å; L591-I637 HydrophobicContact CG-CD1 3.57Å; L611-I637 HydrophobicContact CD2-CG2 3.95Å; R612-I637 CarbonylContact O-C 3.43Å; R612-I637 WeakPolarHBondContact O-CA 3.5Å
638	I	96	Very high	82.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.8	170.1	-51.5	-177.6	0	0	0	108.7	E576 K578 L611 R612 I614 D714	E576-I638 HydrophobicContact CB-CG2 4.44Å; K578-I638 HydrophobicContact CD-CD1 4.29Å; K578-I638 HydrophobicContact CD-CG1 4.29Å; K578-I638 HydrophobicContact CG-CG1 4.11Å; K578-I638 HydrophobicContact CG-CG2 4.42Å; L611-I638 WeakPolarHBondContact CA-O 3.19Å; R612-I638 HydrophobicContact CG-CB 4.09Å; R612-I638 PolarHBondContact N-O 2.74Å; R612-I638 PolarHBondContact O-N 2.84Å; I614-I638 HydrophobicContact CD1-CD1 3.61Å; I614-I638 HydrophobicContact CD1-CG1 4.19Å; I614-I638 HydrophobicContact CG1-CD1 4.12Å; I614-I638 HydrophobicContact CG1-CG1 4.24Å; I614-I638 HydrophobicContact CG2-CD1 4.2Å; I638-D714 WeakPolarHBondContact CD1-OD2 3.46Å
639	L	97.2	Very high	85.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.3	168.8	-173.1	166.1	0	0	0	107.9	E576 I577 F579 A593 I609 L611 A641 L651 V653	E576-L639 CarbonylContact C-O 3.47Å; E576-L639 WeakPolarHBondContact CA-O 3.32Å; I577-L639 PolarHBondContact N-O 2.87Å; I577-L639 PolarHBondContact O-N 3.46Å; F579-L639 HydrophobicContact CE2-CB 4.15Å; F579-L639 HydrophobicContact CE2-CD1 4.19Å; A593-L639 HydrophobicContact CB-CD1 3.61Å; A593-L639 HydrophobicContact CB-CG 4.49Å; I609-L639 HydrophobicContact CG2-CD2 3.81Å; I609-L639 HydrophobicContact CG2-CG 3.83Å; L611-L639 HydrophobicContact CD2-CB 3.7Å; L611-L639 HydrophobicContact CD2-CD1 4.24Å; L611-L639 HydrophobicContact CD2-CG 3.88Å; L639-A641 HydrophobicContact CD2-CB 4.21Å; L639-L651 HydrophobicContact CD1-CD1 4.39Å; L639-L651 HydrophobicContact CD1-CD2 4.11Å; L639-L651 HydrophobicContact CD2-CD1 4.28Å; L639-L651 HydrophobicContact CD2-CD2 3.77Å; L639-V653 HydrophobicContact CD1-CG1 4.43Å; L639-V653 HydrophobicContact CD1-CG2 3.69Å
640	T	96.2	Very high	88.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.4	174	-57.5	0	0	0	0	109.4	L574 L575 E576 I609 L610 R612 Y642	L574-T640 HydrophobicContact CD1-CG2 3.41Å; L574-T640 VanDerWaalsContact CD1-CG2 3.41Å; L574-T640 HydrophobicContact CG-CG2 3.99Å; L575-T640 CarbonylContact O-C 3.5Å; L575-T640 WeakPolarHBondContact O-CA 3.33Å; E576-T640 HydrophobicContact CG-CG2 4.21Å; E576-T640 PolarHBondContact OE1-OG1 3.48Å; I609-T640 WeakPolarHBondContact CA-O 3.26Å; L610-T640 PolarHBondContact N-O 2.99Å; L610-T640 PolarHBondContact O-N 3.02Å; R612-T640 PolarHBondContact NH1-OG1 3.04Å; T640-Y642 HydrophobicContact CG2-CD2 4.47Å; T640-Y642 HydrophobicContact CG2-CE2 3.92Å
641	A	96.2	Very high	90.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.4	178.7	0	0	0	0	0	110.2	L575 L595 L639 L643	L575-A641 HydrophobicContact CB-CB 4.5Å; L575-A641 PolarHBondContact N-O 2.85Å; L575-A641 PolarHBondContact O-N 3.43Å; L595-A641 HydrophobicContact CD1-CB 4.38Å; L639-A641 HydrophobicContact CD2-CB 4.21Å; A641-L643 HydrophobicContact CB-CD2 4.23Å
642	Y	95.1	Very high	92.5	Very high	2 Å²	2	21 Å²	21	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.7	175	-62.1	-95.5	0	0	0	108.2	L574 C608 L610 T640 P644 L682 L690 F843	L574-Y642 HydrophobicContact CD1-CD1 3.37Å; L574-Y642 HydrophobicContact CD1-CD2 4.42Å; L574-Y642 HydrophobicContact CD1-CE1 3.36Å; L574-Y642 HydrophobicContact CD1-CE2 4.39Å; L574-Y642 HydrophobicContact CD1-CG 3.94Å; C608-Y642 WeakPolarHBondContact CB-O 3.43Å; C608-Y642 PolarHBondContact O-N 3.27Å; L610-Y642 HydrophobicContact CB-CE2 4Å; T640-Y642 HydrophobicContact CG2-CD2 4.47Å; T640-Y642 HydrophobicContact CG2-CE2 3.92Å; Y642-P644 VanDerWaalsContact O-CD 3.31Å; Y642-P644 WeakPolarHBondContact O-CD 3.45Å; Y642-L682 HydrophobicContact CD1-CD1 3.61Å; Y642-L682 HydrophobicContact CD1-CD2 4.45Å; Y642-L682 HydrophobicContact CD1-CG 4.26Å; Y642-L682 HydrophobicContact CD2-CD1 4.08Å; Y642-L682 HydrophobicContact CE1-CD1 4.2Å; Y642-L682 HydrophobicContact CG-CD1 3.54Å; Y642-L682 HydrophobicContact CG-CG 4.45Å; Y642-L690 HydrophobicContact CD2-CD1 4.24Å; Y642-L690 HydrophobicContact CE1-CD1 4.46Å; Y642-L690 HydrophobicContact CE2-CD1 3.76Å; Y642-F843 HydrophobicContact CE1-CE1 4.48Å; Y642-F843 HydrophobicContact CE1-CZ 4.29Å
643	L	95.9	Very high	93.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.09	C	C	.	.			trans	-83.5	115.1	-173.6	-53.7	176.1	0	0	0	108.5	C570 G573 L595 A641 T645 Y649 I674 S676 G679 I680	C570-L643 HydrophobicContact CB-CD1 3.93Å; G573-L643 WeakPolarHBondContact O-CB 3.28Å; G573-L643 PolarHBondContact O-N 2.78Å; L595-L643 HydrophobicContact CD1-CD2 4Å; L595-L643 HydrophobicContact CD2-CD2 4.05Å; A641-L643 HydrophobicContact CB-CD2 4.23Å; L643-T645 PolarHBondContact O-N 3.49Å; L643-T645 VanDerWaalsContact O-N 3.1Å; L643-Y649 HydrophobicContact CB-CE2 4.09Å; L643-Y649 HydrophobicContact CD1-CD2 4.45Å; L643-Y649 HydrophobicContact CD2-CD2 4.06Å; L643-Y649 HydrophobicContact CD2-CE2 4.34Å; L643-Y649 HydrophobicContact CD2-CG 4.18Å; L643-I674 HydrophobicContact CD1-CG2 3.67Å; L643-I674 HydrophobicContact CD2-CD1 4.42Å; L643-S676 WeakPolarHBondContact CD1-OG 3.25Å; L643-G679 CarbonylContact O-C 3.55Å; L643-G679 WeakPolarHBondContact O-CA 3.44Å; L643-I680 PolarHBondContact O-N 2.89Å
644	P	92.8	Very high	94.6	Very high	9 Å²	9	14.4 Å²	14.4	6%	0.058	8%	0.082	C	C	.	.	S	Bend	trans	-66.5	-16.9	-168.2	-29	39.3	0	0	0	116.2	M604 L605 Y642 R681	M604-P644 HydrophobicContact CE-CB 3.79Å; M604-P644 HydrophobicContact CG-CB 4.28Å; M604-P644 HydrophobicContact CG-CG 4.42Å; L605-P644 HydrophobicContact CD2-CG 4.44Å; Y642-P644 VanDerWaalsContact O-CD 3.31Å; Y642-P644 WeakPolarHBondContact O-CD 3.45Å; P644-R681 WeakPolarHBondContact O-CG 3.34Å
645	T	92.9	Very high	95	Very high	30 Å²	30	13.5 Å²	13.5	18%	0.184	8%	0.078	C	C	.	.	S	Bend	trans	-157.5	164	-170.6	25.6	0	0	0	0	109.3	H600 M604 L643 Y649 F678	H600-T645 PolarHBondContact CD2-OG1 3.06Å; H600-T645 PolarHBondContact CE1-OG1 2.69Å; H600-T645 VanDerWaalsContact CE1-OG1 3.24Å; H600-T645 PolarHBondContact NE2-OG1 3.03Å; M604-T645 HydrophobicContact CE-CG2 4Å; L643-T645 PolarHBondContact O-N 3.49Å; L643-T645 VanDerWaalsContact O-N 3.1Å; T645-Y649 PolarHBondContact N-OH 3.16Å; T645-Y649 PolarHBondContact O-OH 3.03Å; T645-Y649 PolarHBondContact OG1-OH 3.06Å; T645-F678 CarbonylContact C-O 3.56Å
646	G	92.7	Very high	95.4	Very high	33 Å²	33	9.5 Å²	9.5	34%	0.34	6%	0.059	S	C	.	.	S	Bend	trans	-65.5	149.5	162.9	0	0	0	0	0	111	S676	G646-S676 CarbonylContact C-O 3.48Å; G646-S676 VanDerWaalsContact CA-O 3.3Å; G646-S676 WeakPolarHBondContact CA-O 3.38Å
647	G	92.9	Very high	95.4	Very high	18 Å²	18	12 Å²	12	19%	0.186	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138	-171.4	180	0	0	0	0	0	114.1	Y649 S676	G647-Y649 WeakPolarHBondContact O-CD2 3.36Å; G647-Y649 WeakPolarHBondContact O-CE2 3.35Å; G647-S676 PolarHBondContact N-O 3.21Å; G647-S676 PolarHBondContact O-N 2.58Å
648	E	94.6	Very high	95.2	Very high	49 Å²	49	13.2 Å²	13.2	23%	0.229	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.9	-175.5	-59.8	-175.6	131.1	0	0	112.3	R466 P539 S597 I674	R466-E648 IonicContact CZ-OE1 2.67Å; R466-E648 IonicContact CZ-OE2 2.81Å; R466-E648 VanDerWaalsContact CZ-OE2 3.25Å; R466-E648 IonicContact NH1-OE1 3.48Å; R466-E648 IonicContact NH1-OE2 2.69Å; R466-E648 PolarHBondContact NH1-OE2 2.96Å; R466-E648 IonicContact NH2-OE1 3.42Å; R466-E648 PolarHBondContact NH2-OE1 2.84Å; R466-E648 IonicContact NH2-OE2 2.62Å; R466-E648 PolarHBondContact NH2-OE2 3.32Å; P539-E648 HydrophobicContact CG-CB 3.84Å; S597-E648 WeakPolarHBondContact CB-O 2.95Å; S597-E648 PolarHBondContact OG-O 2.88Å; E648-I674 CarbonylContact C-O 3.54Å; E648-I674 WeakPolarHBondContact CA-O 3.49Å
649	Y	95.6	Very high	94.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.1	-179.3	-57	-92.9	0	0	0	110.9	K596 H600 L605 L643 T645 G647 I674	K596-Y649 CarbonylContact O-C 3.53Å; K596-Y649 VanDerWaalsContact O-CA 3.23Å; K596-Y649 WeakPolarHBondContact O-CA 3.2Å; H600-Y649 AromaticContact CE1-CZ 3.73Å; H600-Y649 PolarHBondContact CE1-OH 3.41Å; H600-Y649 VanDerWaalsContact CE1-OH 3.23Å; H600-Y649 AromaticContact ND1-CE1 3.55Å; H600-Y649 AromaticContact ND1-CZ 3.77Å; L605-Y649 HydrophobicContact CD2-CD1 4.04Å; L605-Y649 HydrophobicContact CD2-CE1 3.61Å; L643-Y649 HydrophobicContact CB-CE2 4.09Å; L643-Y649 HydrophobicContact CD1-CD2 4.45Å; L643-Y649 HydrophobicContact CD2-CD2 4.06Å; L643-Y649 HydrophobicContact CD2-CE2 4.34Å; L643-Y649 HydrophobicContact CD2-CG 4.18Å; T645-Y649 PolarHBondContact N-OH 3.16Å; T645-Y649 PolarHBondContact O-OH 3.03Å; T645-Y649 PolarHBondContact OG1-OH 3.06Å; G647-Y649 WeakPolarHBondContact O-CD2 3.36Å; G647-Y649 WeakPolarHBondContact O-CE2 3.35Å; Y649-I674 PolarHBondContact N-O 3.45Å; Y649-I674 PolarHBondContact O-N 3.28Å
650	A	95.2	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.3	159.3	0	0	0	0	0	108.4	P539 T541 Y546 L595 K596 F672	P539-A650 HydrophobicContact CB-CB 3.66Å; P539-A650 VanDerWaalsContact CB-N 3.33Å; T541-A650 HydrophobicContact CG2-CB 3.71Å; Y546-A650 HydrophobicContact CE1-CB 4.43Å; L595-A650 CarbonylContact C-O 3.55Å; L595-A650 WeakPolarHBondContact CA-O 3.47Å; K596-A650 HydrophobicContact CB-CB 4.38Å; K596-A650 PolarHBondContact N-O 2.86Å; K596-A650 PolarHBondContact O-N 2.91Å; A650-F672 WeakPolarHBondContact CA-O 3.41Å
651	L	96.7	Very high	94.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.5	168.7	174.5	66.4	0	0	0	108.3	I577 A593 L595 I609 L639 V653 Q671 F672 I674	I577-L651 HydrophobicContact CD1-CD2 3.62Å; A593-L651 HydrophobicContact CB-CD1 4.03Å; L595-L651 HydrophobicContact CD2-CB 4.11Å; L595-L651 HydrophobicContact CD2-CD1 4.02Å; L595-L651 HydrophobicContact CG-CD1 4.34Å; I609-L651 HydrophobicContact CD1-CD1 3.68Å; L639-L651 HydrophobicContact CD1-CD1 4.39Å; L639-L651 HydrophobicContact CD1-CD2 4.11Å; L639-L651 HydrophobicContact CD2-CD1 4.28Å; L639-L651 HydrophobicContact CD2-CD2 3.77Å; L651-V653 HydrophobicContact CD2-CG2 4.47Å; L651-V653 HydrophobicContact CG-CG2 4.23Å; L651-Q671 VanDerWaalsContact O-CA 3.3Å; L651-Q671 WeakPolarHBondContact O-CA 3.2Å; L651-F672 HydrophobicContact CB-CB 4.38Å; L651-F672 HydrophobicContact CD2-CD2 4.22Å; L651-F672 PolarHBondContact N-O 3.19Å; L651-F672 PolarHBondContact O-N 2.98Å; L651-I674 HydrophobicContact CB-CD1 3.7Å; L651-I674 HydrophobicContact CB-CG1 4.48Å; L651-I674 HydrophobicContact CD2-CD1 4.23Å
652	E	96.5	Very high	93.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.3	174	-59.3	-170.6	127.2	0	0	109.4	S542 A593 R594 K596 Y654 L668 Q671	S542-E652 VanDerWaalsContact CB-OE1 3.28Å; S542-E652 WeakPolarHBondContact CB-OE1 3.5Å; S542-E652 PolarHBondContact N-OE1 3.15Å; S542-E652 PolarHBondContact OG-OE1 3.04Å; S542-E652 PolarHBondContact OG-OE2 3.09Å; A593-E652 CarbonylContact C-O 3.5Å; A593-E652 WeakPolarHBondContact CA-O 3.36Å; A593-E652 WeakPolarHBondContact CB-O 3.48Å; R594-E652 PolarHBondContact N-O 3.37Å; R594-E652 PolarHBondContact O-N 2.92Å; K596-E652 WeakPolarHBondContact CE-OE2 3.43Å; K596-E652 IonicContact NZ-OE1 2.68Å; K596-E652 IonicContact NZ-OE2 2.69Å; K596-E652 PolarHBondContact NZ-OE2 2.86Å; E652-Y654 HydrophobicContact CB-CE2 3.67Å; E652-Y654 PolarHBondContact OE2-OH 3.05Å; E652-L668 HydrophobicContact CB-CD1 3.95Å; E652-L668 HydrophobicContact CG-CD1 4.46Å; E652-Q671 HydrophobicContact CG-CG 4.15Å; E652-Q671 PolarHBondContact OE1-NE2 2.87Å
653	V	97.3	Very high	93.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	177	-171.1	0	0	0	0	108.4	F579 L591 A593 L639 L651 V669 W670 F672	F579-V653 HydrophobicContact CZ-CG1 4.36Å; F579-V653 HydrophobicContact CZ-CG2 4.05Å; L591-V653 HydrophobicContact CD1-CG1 4.17Å; L591-V653 HydrophobicContact CD2-CG1 4.4Å; A593-V653 HydrophobicContact CB-CG2 4.28Å; L639-V653 HydrophobicContact CD1-CG1 4.43Å; L639-V653 HydrophobicContact CD1-CG2 3.69Å; L651-V653 HydrophobicContact CD2-CG2 4.47Å; L651-V653 HydrophobicContact CG-CG2 4.23Å; V653-V669 HydrophobicContact CB-CG2 4.08Å; V653-V669 HydrophobicContact CG1-CG2 3.81Å; V653-V669 VanDerWaalsContact O-CG2 3.24Å; V653-V669 WeakPolarHBondContact O-CG2 3.44Å; V653-V669 PolarHBondContact O-N 3.19Å; V653-W670 HydrophobicContact CB-CB 4.05Å; V653-W670 HydrophobicContact CG2-CB 4.34Å; V653-W670 PolarHBondContact N-O 2.9Å; V653-W670 PolarHBondContact O-N 3.37Å; V653-W670 VanDerWaalsContact O-N 3.1Å; V653-F672 HydrophobicContact CG2-CE2 4.39Å
654	Y	97.1	Very high	93	Very high	51 Å²	51	41.3 Å²	41.3	20%	0.2	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.8	179.7	-56.9	-102.8	0	0	0	110	L591 T592 R594 E652 F667 L668	L591-Y654 WeakPolarHBondContact CA-O 3.3Å; T592-Y654 PolarHBondContact N-O 3.46Å; T592-Y654 PolarHBondContact O-N 3.49Å; T592-Y654 VanDerWaalsContact O-O 3.08Å; R594-Y654 HydrophobicContact CB-CE2 4.48Å; E652-Y654 HydrophobicContact CB-CE2 3.67Å; E652-Y654 PolarHBondContact OE2-OH 3.05Å; Y654-F667 CarbonylContact C-O 3.58Å; Y654-F667 WeakPolarHBondContact CA-O 3.45Å; Y654-L668 HydrophobicContact CD1-CB 4.07Å; Y654-L668 HydrophobicContact CD1-CD1 4.28Å; Y654-L668 HydrophobicContact CE1-CB 4.04Å; Y654-L668 HydrophobicContact CE1-CD1 3.94Å; Y654-L668 HydrophobicContact CE2-CD1 4.44Å
655	G	96.6	Very high	93.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.9	-177.7	0	0	0	0	0	114.2	R590 F667	R590-G655 CarbonylContact O-C 3.55Å; R590-G655 VanDerWaalsContact O-CA 3.28Å; R590-G655 WeakPolarHBondContact O-CA 3.43Å; G655-F667 PolarHBondContact N-O 2.65Å; G655-F667 PolarHBondContact O-N 2.94Å
656	A	96.6	Very high	93.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.9	170.5	0	0	0	0	0	109.8	P589 R590 T664 Y666	P589-A656 CarbonylContact C-O 3.51Å; P589-A656 WeakPolarHBondContact CA-O 3.5Å; P589-A656 WeakPolarHBondContact CB-O 3.24Å; R590-A656 HydrophobicContact CB-CB 4.49Å; R590-A656 PolarHBondContact N-O 3.23Å; R590-A656 PolarHBondContact O-N 3.06Å; A656-T664 HydrophobicContact CB-CG2 4.02Å; A656-Y666 HydrophobicContact CB-CD1 4.12Å; A656-Y666 HydrophobicContact CB-CE1 4.15Å; A656-Y666 HydrophobicContact CB-CG 4.31Å
657	P	95.1	Very high	93.3	Very high	55 Å²	55	50.1 Å²	50.1	36%	0.357	27%	0.269	S	S	.	.			trans	-55.7	150.5	176.9	-23.3	33.4	0	0	0	112.7	L555 D659 S660	L555-P657 HydrophobicContact CD2-CB 4.34Å; L555-P657 HydrophobicContact CD2-CG 4Å; P657-D659 PolarHBondContact O-N 3.11Å; P657-S660 VanDerWaalsContact O-CB 3.27Å; P657-S660 WeakPolarHBondContact O-CB 3.19Å; P657-S660 PolarHBondContact O-N 2.79Å; P657-S660 PolarHBondContact O-OG 2.84Å
658	A	90.8	Very high	93.5	Very high	31 Å²	31	50.7 Å²	50.7	26%	0.256	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-51.7	-178.1	0	0	0	0	0	112.5	K587 L588 S660	K587-A658 HydrophobicContact CB-CB 3.49Å; K587-A658 VanDerWaalsContact CB-CB 3.49Å; K587-A658 HydrophobicContact CD-CB 4.25Å; L588-A658 WeakPolarHBondContact O-CB 3.47Å; A658-S660 PolarHBondContact O-N 2.86Å
659	D	87.8	Confident	93.6	Very high	123 Å²	123	48.4 Å²	48.4	66%	0.658	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	28.1	-177.1	-63.3	-33.6	0	0	0	112.9	K587 P657	K587-D659 WeakPolarHBondContact CD-OD1 3.35Å; K587-D659 WeakPolarHBondContact CD-OD2 3.48Å; K587-D659 IonicContact NZ-OD1 2.72Å; K587-D659 PolarHBondContact NZ-OD1 3.01Å; K587-D659 IonicContact NZ-OD2 2.74Å; K587-D659 PolarHBondContact NZ-OD2 2.81Å; P657-D659 PolarHBondContact O-N 3.11Å
660	S	89.3	Confident	93.5	Very high	24 Å²	24	49.1 Å²	49.1	17%	0.168	26%	0.259	C	S	.	.			trans	-86.7	148	178.2	63.6	0	0	0	0	112.5	R590 P657 A658	R590-S660 PolarHBondContact NH1-O 3.13Å; R590-S660 PolarHBondContact NH1-OG 3.05Å; P657-S660 VanDerWaalsContact O-CB 3.27Å; P657-S660 WeakPolarHBondContact O-CB 3.19Å; P657-S660 PolarHBondContact O-N 2.79Å; P657-S660 PolarHBondContact O-OG 2.84Å; A658-S660 PolarHBondContact O-N 2.86Å
661	D	89.3	Confident	93.5	Very high	87 Å²	87	49.1 Å²	49.1	47%	0.465	26%	0.259	S	S	.	.			trans	-67.1	164.1	175.8	77	-32.4	0	0	0	112.1	R590 N663 T664	R590-D661 PolarHBondContact NH1-O 3.39Å; D661-N663 PolarHBondContact O-N 3.01Å; D661-N663 WeakPolarHBondContact OD2-CB 3.48Å; D661-T664 WeakPolarHBondContact O-CB 3.29Å; D661-T664 PolarHBondContact O-N 3.43Å; D661-T664 VanDerWaalsContact O-N 3.09Å; D661-T664 WeakPolarHBondContact OD1-CA 3.31Å; D661-T664 WeakPolarHBondContact OD1-CB 3.03Å; D661-T664 PolarHBondContact OD1-N 2.81Å; D661-T664 PolarHBondContact OD1-OG1 3.45Å
662	E	82.7	Confident	93.4	Very high	173 Å²	173	49.1 Å²	49.1	81%	0.808	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.4	-179.1	-64.5	-167.9	148.5	0	0	113
663	N	88.8	Confident	93.3	Very high	142 Å²	142	49.5 Å²	49.5	76%	0.759	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.4	178.2	-56.1	-59.6	0	0	0	114.1	D661 S665	D661-N663 PolarHBondContact O-N 3.01Å; D661-N663 WeakPolarHBondContact OD2-CB 3.48Å; N663-S665 PolarHBondContact O-N 3.41Å
664	T	92.5	Very high	93.3	Very high	42 Å²	42	49.5 Å²	49.5	26%	0.258	26%	0.262	S	S	.	.	S	Bend	trans	-61.1	129	179.1	-79.3	0	0	0	0	110.5	A656 D661 Y666	A656-T664 HydrophobicContact CB-CG2 4.02Å; D661-T664 WeakPolarHBondContact O-CB 3.29Å; D661-T664 PolarHBondContact O-N 3.43Å; D661-T664 VanDerWaalsContact O-N 3.09Å; D661-T664 WeakPolarHBondContact OD1-CA 3.31Å; D661-T664 WeakPolarHBondContact OD1-CB 3.03Å; D661-T664 PolarHBondContact OD1-N 2.81Å; D661-T664 PolarHBondContact OD1-OG1 3.45Å; T664-Y666 PolarHBondContact O-N 3.19Å
665	S	93.9	Very high	93.2	Very high	79 Å²	79	50.2 Å²	50.2	55%	0.552	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-65.4	130.9	179.3	-61	0	0	0	0	111.4	N663 F667	N663-S665 PolarHBondContact O-N 3.41Å; S665-F667 WeakPolarHBondContact O-CD2 3.28Å; S665-F667 WeakPolarHBondContact O-CE2 3.37Å
666	Y	95.4	Very high	93.1	Very high	77 Å²	77	50.4 Å²	50.4	30%	0.302	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-76.1	138.1	168.8	-74.9	-103.6	0	0	0	110.3	R590 T592 A656 T664	R590-Y666 HydrophobicContact CB-CE1 4.14Å; R590-Y666 VanDerWaalsContact CZ-OH 3.31Å; R590-Y666 PolarHBondContact NE-OH 2.85Å; R590-Y666 PolarHBondContact NH2-OH 3.37Å; R590-Y666 WeakPolarHBondContact O-CE1 3.32Å; T592-Y666 HydrophobicContact CG2-CD1 3.63Å; T592-Y666 HydrophobicContact CG2-CE1 4.01Å; T592-Y666 HydrophobicContact CG2-CG 4Å; A656-Y666 HydrophobicContact CB-CD1 4.12Å; A656-Y666 HydrophobicContact CB-CE1 4.15Å; A656-Y666 HydrophobicContact CB-CG 4.31Å; T664-Y666 PolarHBondContact O-N 3.19Å
667	F	95.6	Very high	93	Very high	101 Å²	101	56.1 Å²	56.1	44%	0.443	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.2	178.8	-63.6	-86.7	0	0	0	110.2	K551 Y654 G655 S665 V669	K551-F667 HydrophobicContact CB-CB 4.2Å; K551-F667 HydrophobicContact CD-CB 3.84Å; K551-F667 HydrophobicContact CD-CD2 4.16Å; K551-F667 HydrophobicContact CD-CG 4.06Å; K551-F667 HydrophobicContact CG-CB 3.77Å; Y654-F667 CarbonylContact C-O 3.58Å; Y654-F667 WeakPolarHBondContact CA-O 3.45Å; G655-F667 PolarHBondContact N-O 2.65Å; G655-F667 PolarHBondContact O-N 2.94Å; S665-F667 WeakPolarHBondContact O-CD2 3.28Å; S665-F667 WeakPolarHBondContact O-CE2 3.37Å; F667-V669 PolarHBondContact O-N 3.06Å
668	L	96.1	Very high	92.7	Very high	31 Å²	31	59.5 Å²	59.5	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	124.8	178.6	-175.5	70.9	0	0	0	110.2	Q543 A549 K551 E652 Y654 Q671	Q543-L668 HydrophobicContact CG-CD2 4.08Å; A549-L668 HydrophobicContact CB-CG 4.29Å; A549-L668 WeakPolarHBondContact CB-O 3.32Å; K551-L668 WeakPolarHBondContact CB-O 3.17Å; E652-L668 HydrophobicContact CB-CD1 3.95Å; E652-L668 HydrophobicContact CG-CD1 4.46Å; Y654-L668 HydrophobicContact CD1-CB 4.07Å; Y654-L668 HydrophobicContact CD1-CD1 4.28Å; Y654-L668 HydrophobicContact CE1-CB 4.04Å; Y654-L668 HydrophobicContact CE1-CD1 3.94Å; Y654-L668 HydrophobicContact CE2-CD1 4.44Å; L668-Q671 HydrophobicContact CD1-CG 3.86Å; L668-Q671 HydrophobicContact CD2-CG 4.19Å; L668-Q671 HydrophobicContact CG-CG 4.34Å
669	V	95.9	Very high	92.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-34	178.1	-66.6	0	0	0	0	112.7	P548 A549 K551 A552 L555 L557 L591 V653 F667	P548-V669 CarbonylContact C-O 3.6Å; P548-V669 WeakPolarHBondContact CA-O 3.45Å; A549-V669 PolarHBondContact N-O 2.84Å; K551-V669 HydrophobicContact CB-CG1 4.02Å; K551-V669 HydrophobicContact CG-CG1 4.11Å; A552-V669 HydrophobicContact CB-CB 4.13Å; A552-V669 WeakPolarHBondContact CB-O 3.17Å; L555-V669 HydrophobicContact CD1-CG1 3.81Å; L557-V669 HydrophobicContact CD2-CB 3.98Å; L557-V669 HydrophobicContact CD2-CG1 4.41Å; L557-V669 HydrophobicContact CD2-CG2 3.7Å; L591-V669 HydrophobicContact CD2-CG2 4.18Å; V653-V669 HydrophobicContact CB-CG2 4.08Å; V653-V669 HydrophobicContact CG1-CG2 3.81Å; V653-V669 VanDerWaalsContact O-CG2 3.24Å; V653-V669 WeakPolarHBondContact O-CG2 3.44Å; V653-V669 PolarHBondContact O-N 3.19Å; F667-V669 PolarHBondContact O-N 3.06Å
670	W	95.3	Very high	92.7	Very high	15 Å²	15	56.2 Å²	56.2	6%	0.057	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	153	-178.6	-139.6	-70.8	0	0	0	112.6	G547 P548 A552 T559 F579 V653 F672	G547-W670 WeakPolarHBondContact O-CA 3.42Å; P548-W670 HydrophobicContact CB-CD2 3.97Å; P548-W670 HydrophobicContact CB-CE3 3.88Å; P548-W670 HydrophobicContact CB-CH2 4.1Å; P548-W670 HydrophobicContact CB-CZ2 4.17Å; P548-W670 HydrophobicContact CB-CZ3 3.95Å; P548-W670 HydrophobicContact CG-CH2 4.39Å; P548-W670 HydrophobicContact CG-CZ2 4.25Å; A552-W670 HydrophobicContact CB-CE3 4.39Å; T559-W670 HydrophobicContact CG2-CD2 4.33Å; T559-W670 HydrophobicContact CG2-CE3 4.38Å; T559-W670 HydrophobicContact CG2-CH2 3.6Å; T559-W670 HydrophobicContact CG2-CZ2 3.52Å; T559-W670 HydrophobicContact CG2-CZ3 4.04Å; F579-W670 HydrophobicContact CD1-CE3 4.46Å; F579-W670 HydrophobicContact CE1-CB 4.45Å; F579-W670 HydrophobicContact CE1-CD2 4.16Å; F579-W670 AromaticContact CE1-CE3 3.98Å; F579-W670 HydrophobicContact CE1-CE3 3.98Å; F579-W670 HydrophobicContact CE1-CG 4.39Å; V653-W670 HydrophobicContact CB-CB 4.05Å; V653-W670 HydrophobicContact CG2-CB 4.34Å; V653-W670 PolarHBondContact N-O 2.9Å; V653-W670 PolarHBondContact O-N 3.37Å; V653-W670 VanDerWaalsContact O-N 3.1Å; W670-F672 HydrophobicContact CB-CE2 4Å; W670-F672 AromaticContact CD1-CD2 3.75Å; W670-F672 AromaticContact CD1-CE1 3.76Å; W670-F672 AromaticContact CD1-CE2 3.14Å; W670-F672 AromaticContact CD1-CZ 3.16Å; W670-F672 HydrophobicContact CD2-CE2 4.41Å; W670-F672 HydrophobicContact CD2-CZ 4.17Å; W670-F672 AromaticContact CE2-CZ 3.82Å; W670-F672 HydrophobicContact CG-CD2 4.45Å; W670-F672 AromaticContact CG-CE2 3.62Å; W670-F672 HydrophobicContact CG-CE2 3.62Å; W670-F672 AromaticContact CG-CZ 3.8Å; W670-F672 HydrophobicContact CG-CZ 3.8Å; W670-F672 AromaticContact NE1-CE1 3.48Å; W670-F672 AromaticContact NE1-CE2 3.7Å; W670-F672 AromaticContact NE1-CZ 3.17Å
671	Q	94.6	Very high	92.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	132.7	172.1	-65.2	176.3	-66.6	0	0	111.6	H545 Y546 G547 L651 E652 L668	H545-Q671 PolarHBondContact O-OE1 3.4Å; Y546-Q671 HydrophobicContact CD1-CB 4.33Å; G547-Q671 PolarHBondContact N-O 3.5Å; G547-Q671 PolarHBondContact O-N 2.8Å; L651-Q671 VanDerWaalsContact O-CA 3.3Å; L651-Q671 WeakPolarHBondContact O-CA 3.2Å; E652-Q671 HydrophobicContact CG-CG 4.15Å; E652-Q671 PolarHBondContact OE1-NE2 2.87Å; L668-Q671 HydrophobicContact CD1-CG 3.86Å; L668-Q671 HydrophobicContact CD2-CG 4.19Å; L668-Q671 HydrophobicContact CG-CG 4.34Å
672	F	95.2	Very high	92.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.1	175.7	-58.9	-93.5	0	0	0	110.7	Y546 T559 L564 T566 L568 I577 F579 A650 L651 V653 W670	Y546-F672 VanDerWaalsContact CD1-C 3.46Å; T559-F672 HydrophobicContact CG2-CZ 3.97Å; L564-F672 HydrophobicContact CD2-CE1 3.89Å; L564-F672 HydrophobicContact CD2-CZ 4.26Å; L564-F672 HydrophobicContact CG-CE1 4.32Å; T566-F672 WeakPolarHBondContact O-CA 3.26Å; L568-F672 HydrophobicContact CD1-CB 4.14Å; L568-F672 HydrophobicContact CD1-CD1 3.56Å; L568-F672 HydrophobicContact CD1-CE1 4.19Å; L568-F672 HydrophobicContact CD1-CG 4.01Å; L568-F672 HydrophobicContact CG-CD1 4.18Å; I577-F672 HydrophobicContact CD1-CD1 4.16Å; I577-F672 HydrophobicContact CD1-CD2 3.7Å; I577-F672 HydrophobicContact CD1-CE1 4.18Å; I577-F672 HydrophobicContact CD1-CE2 3.74Å; I577-F672 HydrophobicContact CD1-CG 3.91Å; I577-F672 HydrophobicContact CD1-CZ 3.97Å; I577-F672 HydrophobicContact CG2-CE2 4.31Å; I577-F672 HydrophobicContact CG2-CZ 3.96Å; F579-F672 HydrophobicContact CE1-CE2 4.37Å; F579-F672 HydrophobicContact CE1-CZ 4.39Å; F579-F672 AromaticContact CZ-CE2 3.9Å; F579-F672 HydrophobicContact CZ-CE2 3.9Å; F579-F672 HydrophobicContact CZ-CZ 4.2Å; A650-F672 WeakPolarHBondContact CA-O 3.41Å; L651-F672 HydrophobicContact CB-CB 4.38Å; L651-F672 HydrophobicContact CD2-CD2 4.22Å; L651-F672 PolarHBondContact N-O 3.19Å; L651-F672 PolarHBondContact O-N 2.98Å; V653-F672 HydrophobicContact CG2-CE2 4.39Å; W670-F672 HydrophobicContact CB-CE2 4Å; W670-F672 AromaticContact CD1-CD2 3.75Å; W670-F672 AromaticContact CD1-CE1 3.76Å; W670-F672 AromaticContact CD1-CE2 3.14Å; W670-F672 AromaticContact CD1-CZ 3.16Å; W670-F672 HydrophobicContact CD2-CE2 4.41Å; W670-F672 HydrophobicContact CD2-CZ 4.17Å; W670-F672 AromaticContact CE2-CZ 3.82Å; W670-F672 HydrophobicContact CG-CD2 4.45Å; W670-F672 AromaticContact CG-CE2 3.62Å; W670-F672 HydrophobicContact CG-CE2 3.62Å; W670-F672 AromaticContact CG-CZ 3.8Å; W670-F672 HydrophobicContact CG-CZ 3.8Å; W670-F672 AromaticContact NE1-CE1 3.48Å; W670-F672 AromaticContact NE1-CE2 3.7Å; W670-F672 AromaticContact NE1-CZ 3.17Å
673	L	94.5	Very high	92.8	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.047	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122	165.8	178.7	63.3	0	0	0	107.4	L451 F538 P539 Y546 T566 Q567 L568	L451-L673 HydrophobicContact CD2-CD2 3.9Å; F538-L673 HydrophobicContact CD1-CD2 3.97Å; F538-L673 HydrophobicContact CE1-CD2 4.15Å; P539-L673 HydrophobicContact CG-CD1 3.87Å; Y546-L673 HydrophobicContact CD1-CB 3.83Å; Y546-L673 HydrophobicContact CE1-CB 3.58Å; Y546-L673 HydrophobicContact CE1-CD1 4.46Å; T566-L673 PolarHBondContact O-N 3.31Å; Q567-L673 CarbonylContact C-O 3.48Å; Q567-L673 WeakPolarHBondContact CA-O 3.46Å; Q567-L673 HydrophobicContact CG-CB 4.29Å; Q567-L673 HydrophobicContact CG-CD2 4.3Å; L568-L673 PolarHBondContact N-O 3.25Å
674	I	95.8	Very high	92.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.7	179.8	-51.1	164.3	0	0	0	107.8	L568 C570 L575 L595 L643 E648 Y649 L651	L568-I674 CarbonylContact O-C 3.58Å; L568-I674 WeakPolarHBondContact O-CA 3.23Å; C570-I674 HydrophobicContact CB-CG2 4.16Å; L575-I674 HydrophobicContact CD2-CB 4.37Å; L575-I674 HydrophobicContact CD2-CD1 3.37Å; L575-I674 HydrophobicContact CD2-CG1 3.54Å; L575-I674 HydrophobicContact CD2-CG2 3.92Å; L595-I674 HydrophobicContact CD2-CD1 4.11Å; L643-I674 HydrophobicContact CD1-CG2 3.67Å; L643-I674 HydrophobicContact CD2-CD1 4.42Å; E648-I674 CarbonylContact C-O 3.54Å; E648-I674 WeakPolarHBondContact CA-O 3.49Å; Y649-I674 PolarHBondContact N-O 3.45Å; Y649-I674 PolarHBondContact O-N 3.28Å; L651-I674 HydrophobicContact CB-CD1 3.7Å; L651-I674 HydrophobicContact CB-CG1 4.48Å; L651-I674 HydrophobicContact CD2-CD1 4.23Å
675	N	94.9	Very high	92.7	Very high	66 Å²	66	52 Å²	52	35%	0.353	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.6	171.3	174.2	47	0	0	0	108	L568 N569 C570	L568-N675 PolarHBondContact O-N 3.04Å; N569-N675 CarbonylContact C-O 3.6Å; N569-N675 WeakPolarHBondContact CA-O 3.15Å; N569-N675 PolarHBondContact OD1-ND2 3.4Å; N569-N675 VanDerWaalsContact OD1-ND2 3.11Å; C570-N675 PolarHBondContact N-O 3.07Å
676	S	95.7	Very high	92.6	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.3	-176.8	-156.2	0	0	0	0	111.3	C570 L643 G646 G647 F678	C570-S676 CarbonylContact O-C 3.56Å; C570-S676 VanDerWaalsContact O-CA 3.32Å; C570-S676 WeakPolarHBondContact O-CA 3.38Å; L643-S676 WeakPolarHBondContact CD1-OG 3.25Å; G646-S676 CarbonylContact C-O 3.48Å; G646-S676 VanDerWaalsContact CA-O 3.3Å; G646-S676 WeakPolarHBondContact CA-O 3.38Å; G647-S676 PolarHBondContact N-O 3.21Å; G647-S676 PolarHBondContact O-N 2.58Å; S676-F678 PolarHBondContact OG-O 2.92Å
677	E	93.2	Very high	92.5	Very high	119 Å²	119	46.7 Å²	46.7	56%	0.556	23%	0.234	S	C	*	.	S	Bend	trans	-76.5	-37.8	173	-65.7	-173.4	156.3	0	0	111.5	C570 H571	C570-E677 PolarHBondContact O-N 3.15Å; H571-E677 IonicContact CD2-OE2 2.7Å; H571-E677 PolarHBondContact CD2-OE2 3.13Å
678	F	90.5	Very high	92.3	Very high	127 Å²	127	47.7 Å²	47.7	56%	0.557	24%	0.238	S	C	*	.	S	Bend	trans	-122	175.6	-176.1	-58.9	-85.9	0	0	0	111.2	H571 G573 T645 S676	H571-F678 WeakPolarHBondContact O-CD2 3.32Å; G573-F678 WeakPolarHBondContact CA-O 3.3Å; T645-F678 CarbonylContact C-O 3.56Å; S676-F678 PolarHBondContact OG-O 2.92Å
679	G	89.5	Confident	92.1	Very high	34 Å²	34	47.9 Å²	47.9	35%	0.351	24%	0.236	S	C	.	.			trans	-154.2	153	175	0	0	0	0	0	113.4	L643	L643-G679 CarbonylContact O-C 3.55Å; L643-G679 WeakPolarHBondContact O-CA 3.44Å
680	I	88.5	Confident	91.9	Very high	51 Å²	51	48 Å²	48	26%	0.262	24%	0.237	S	C	.	.			trans	-110.8	111	-176.7	-59.1	172.5	0	0	0	108.2	L574 L643 L682	L574-I680 HydrophobicContact CB-CD1 3.9Å; L643-I680 PolarHBondContact O-N 2.89Å; I680-L682 HydrophobicContact CG2-CD2 3.92Å; I680-L682 HydrophobicContact CG2-CG 4.29Å; I680-L682 PolarHBondContact O-N 2.97Å; I680-L682 VanDerWaalsContact O-N 3.17Å
681	R	84.2	Confident	91.6	Very high	193 Å²	193	49.1 Å²	49.1	73%	0.728	25%	0.25	S	C	*	.			trans	-86	85.9	179.8	-76.6	-166.6	172.8	-161.8	-0.2	111.9	P644	P644-R681 WeakPolarHBondContact O-CG 3.34Å
682	L	88.5	Confident	91.3	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.131	29%	0.285	C	S	.	.			trans	-68.1	140.2	171.1	-61.8	-176	0	0	0	112.4	Y642 I680 V686 R687 L690 F843	Y642-L682 HydrophobicContact CD1-CD1 3.61Å; Y642-L682 HydrophobicContact CD1-CD2 4.45Å; Y642-L682 HydrophobicContact CD1-CG 4.26Å; Y642-L682 HydrophobicContact CD2-CD1 4.08Å; Y642-L682 HydrophobicContact CE1-CD1 4.2Å; Y642-L682 HydrophobicContact CG-CD1 3.54Å; Y642-L682 HydrophobicContact CG-CG 4.45Å; I680-L682 HydrophobicContact CG2-CD2 3.92Å; I680-L682 HydrophobicContact CG2-CG 4.29Å; I680-L682 PolarHBondContact O-N 2.97Å; I680-L682 VanDerWaalsContact O-N 3.17Å; L682-V686 HydrophobicContact CB-CG1 4.34Å; L682-V686 HydrophobicContact CD1-CG1 4.21Å; L682-V686 HydrophobicContact CD2-CG1 4.19Å; L682-V686 HydrophobicContact CG-CG1 4.5Å; L682-R687 HydrophobicContact CB-CG 3.55Å; L682-R687 HydrophobicContact CD1-CG 4.24Å; L682-R687 PolarHBondContact O-NE 3.33Å; L682-L690 HydrophobicContact CD1-CD1 3.63Å; L682-F843 HydrophobicContact CD2-CE2 3.63Å; L682-F843 HydrophobicContact CD2-CZ 3.88Å
683	S	89.8	Confident	91	Very high	50 Å²	50	56 Å²	56	35%	0.35	29%	0.29	S	S	.	.			trans	-62	151.1	173.6	82.1	0	0	0	0	110.9	V686 R687 S804	S683-V686 PolarHBondContact O-N 3.17Å; S683-V686 VanDerWaalsContact O-N 3.17Å; S683-V686 VanDerWaalsContact OG-CG2 3.28Å; S683-V686 WeakPolarHBondContact OG-CG2 3.13Å; S683-V686 PolarHBondContact OG-N 2.81Å; S683-R687 PolarHBondContact O-N 3.4Å; S683-S804 PolarHBondContact OG-O 3.29Å
684	T	89.5	Confident	90.9	Very high	74 Å²	74	59.9 Å²	59.9	45%	0.454	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-38.1	178.4	-58.3	0	0	0	0	113.6	R687 K688	T684-R687 PolarHBondContact OG1-NH2 3.49Å; T684-K688 HydrophobicContact CG2-CD 4.43Å; T684-K688 WeakPolarHBondContact O-CG 3.31Å; T684-K688 PolarHBondContact O-N 2.92Å; T684-K688 VanDerWaalsContact O-N 3.15Å
685	P	90.4	Very high	90.8	Very high	38 Å²	38	60.3 Å²	60.3	25%	0.247	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-48.4	169.6	-25.4	34.3	0	0	0	113.2	K688 R689 P806	P685-K688 PolarHBondContact O-N 2.85Å; P685-R689 WeakPolarHBondContact O-CG 3.1Å; P685-R689 PolarHBondContact O-N 3.3Å; P685-P806 HydrophobicContact CG-CB 4.23Å; P685-P806 HydrophobicContact CG-CG 4Å
686	V	92.4	Very high	90.8	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.036	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-52.5	178.8	171.4	0	0	0	0	110.5	L682 S683 K688 R689 L690 S804 F843	L682-V686 HydrophobicContact CB-CG1 4.34Å; L682-V686 HydrophobicContact CD1-CG1 4.21Å; L682-V686 HydrophobicContact CD2-CG1 4.19Å; L682-V686 HydrophobicContact CG-CG1 4.5Å; S683-V686 PolarHBondContact O-N 3.17Å; S683-V686 VanDerWaalsContact O-N 3.17Å; S683-V686 VanDerWaalsContact OG-CG2 3.28Å; S683-V686 WeakPolarHBondContact OG-CG2 3.13Å; S683-V686 PolarHBondContact OG-N 2.81Å; V686-K688 PolarHBondContact O-N 3.46Å; V686-R689 PolarHBondContact O-N 2.74Å; V686-R689 VanDerWaalsContact O-N 3.08Å; V686-L690 HydrophobicContact CG1-CD1 3.86Å; V686-L690 HydrophobicContact CG1-CG 3.94Å; V686-L690 WeakPolarHBondContact O-CG 3.3Å; V686-L690 PolarHBondContact O-N 2.94Å; V686-S804 WeakPolarHBondContact CG2-O 3.41Å; V686-F843 HydrophobicContact CG1-CD2 3.81Å; V686-F843 HydrophobicContact CG1-CE2 4.06Å; V686-F843 HydrophobicContact CG1-CG 4.3Å; V686-F843 HydrophobicContact CG2-CD2 4.4Å
687	R	91.4	Very high	90.7	Very high	38 Å²	38	59.9 Å²	59.9	14%	0.143	31%	0.314	C	S	.	.	H	α-helix	trans	-50.3	-54	178.4	-73.6	-167.8	-71.5	141.8	5.4	112	S603 M604 T606 D607 C608 L682 S683 T684 R689 L690 A691	S603-R687 PolarHBondContact O-NH1 3.04Å; M604-R687 PolarHBondContact O-NH1 3.37Å; M604-R687 VanDerWaalsContact O-NH1 3.1Å; T606-R687 PolarHBondContact O-NH1 2.65Å; D607-R687 HydrophobicContact CB-CB 3.96Å; D607-R687 CarbonylContact O-C 3.36Å; D607-R687 WeakPolarHBondContact O-CA 3.23Å; D607-R687 WeakPolarHBondContact O-CB 3.4Å; D607-R687 VanDerWaalsContact O-O 3.13Å; C608-R687 WeakPolarHBondContact SG-CD 3.41Å; L682-R687 HydrophobicContact CB-CG 3.55Å; L682-R687 HydrophobicContact CD1-CG 4.24Å; L682-R687 PolarHBondContact O-NE 3.33Å; S683-R687 PolarHBondContact O-N 3.4Å; T684-R687 PolarHBondContact OG1-NH2 3.49Å; R687-R689 VanDerWaalsContact C-N 3.34Å; R687-R689 PolarHBondContact O-N 2.91Å; R687-L690 PolarHBondContact O-N 2.89Å; R687-A691 WeakPolarHBondContact O-CB 3.49Å; R687-A691 PolarHBondContact O-N 3.49Å
688	K	91.7	Very high	90.6	Very high	122 Å²	122	56.6 Å²	56.6	53%	0.53	30%	0.299	S	S	.	.	H	α-helix	trans	-56	-46	178	-76.6	-177.3	173.6	-169	0	112.6	D607 T684 P685 V686 T692	D607-K688 WeakPolarHBondContact OD2-CG 3.4Å; T684-K688 HydrophobicContact CG2-CD 4.43Å; T684-K688 WeakPolarHBondContact O-CG 3.31Å; T684-K688 PolarHBondContact O-N 2.92Å; T684-K688 VanDerWaalsContact O-N 3.15Å; P685-K688 PolarHBondContact O-N 2.85Å; V686-K688 PolarHBondContact O-N 3.46Å; K688-T692 PolarHBondContact O-N 2.98Å; K688-T692 PolarHBondContact O-OG1 2.91Å
689	R	92.7	Very high	90.5	Very high	34 Å²	34	54.4 Å²	54.4	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-44.2	178.1	-72.8	-175.4	-176.7	105.9	0.8	112.1	P685 V686 R687 M693 I803 T805 P806 E808	P685-R689 WeakPolarHBondContact O-CG 3.1Å; P685-R689 PolarHBondContact O-N 3.3Å; V686-R689 PolarHBondContact O-N 2.74Å; V686-R689 VanDerWaalsContact O-N 3.08Å; R687-R689 VanDerWaalsContact C-N 3.34Å; R687-R689 PolarHBondContact O-N 2.91Å; R689-M693 WeakPolarHBondContact O-CB 3.49Å; R689-M693 PolarHBondContact O-N 3.49Å; R689-I803 HydrophobicContact CB-CD1 4.43Å; R689-I803 PolarHBondContact NH1-O 2.8Å; R689-T805 VanDerWaalsContact CZ-O 3.3Å; R689-T805 PolarHBondContact NH1-O 2.91Å; R689-T805 PolarHBondContact NH2-O 3.23Å; R689-P806 PolarHBondContact NH2-O 2.99Å; R689-E808 WeakPolarHBondContact CD-OE1 3.27Å; R689-E808 IonicContact CZ-OE1 3.63Å; R689-E808 IonicContact NE-OE1 2.74Å; R689-E808 PolarHBondContact NE-OE1 2.91Å; R689-E808 IonicContact NH2-OE1 3.79Å
690	L	91	Very high	90.4	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-42.7	179.1	-65.7	-172.4	0	0	0	111.7	L610 Y642 L682 V686 R687 T692 M693 F843 L869	L610-L690 WeakPolarHBondContact CD1-O 3.36Å; Y642-L690 HydrophobicContact CD2-CD1 4.24Å; Y642-L690 HydrophobicContact CE1-CD1 4.46Å; Y642-L690 HydrophobicContact CE2-CD1 3.76Å; L682-L690 HydrophobicContact CD1-CD1 3.63Å; V686-L690 HydrophobicContact CG1-CD1 3.86Å; V686-L690 HydrophobicContact CG1-CG 3.94Å; V686-L690 WeakPolarHBondContact O-CG 3.3Å; V686-L690 PolarHBondContact O-N 2.94Å; R687-L690 PolarHBondContact O-N 2.89Å; L690-T692 VanDerWaalsContact C-N 3.33Å; L690-T692 PolarHBondContact O-N 3.44Å; L690-M693 HydrophobicContact CD2-CE 3.54Å; L690-M693 PolarHBondContact O-N 3.49Å; L690-F843 HydrophobicContact CD2-CD1 4.41Å; L690-L869 HydrophobicContact CD2-CD1 4.03Å; L690-L869 HydrophobicContact CD2-CD2 3.56Å; L690-L869 HydrophobicContact CD2-CG 4.46Å
691	A	88.7	Confident	90.4	Very high	40 Å²	40	60 Å²	60	33%	0.331	31%	0.312	S	S	.	.	H	α-helix	trans	-69.7	-25.3	-175.9	0	0	0	0	0	114.4	D607 R687	D607-A691 HydrophobicContact CB-CB 3.57Å; R687-A691 WeakPolarHBondContact O-CB 3.49Å; R687-A691 PolarHBondContact O-N 3.49Å
692	T	88.9	Confident	90.7	Very high	121 Å²	121	51.6 Å²	51.6	74%	0.742	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	13.9	178.3	68.4	0	0	0	0	113.3	K688 L690	K688-T692 PolarHBondContact O-N 2.98Å; K688-T692 PolarHBondContact O-OG1 2.91Å; L690-T692 VanDerWaalsContact C-N 3.33Å; L690-T692 PolarHBondContact O-N 3.44Å
693	M	89.9	Confident	90.7	Very high	22 Å²	22	54.6 Å²	54.6	11%	0.108	30%	0.303	C	S	.	.			trans	-86.9	130.4	-171.5	-163.1	150.4	50.9	0	0	112.9	L610 R689 L690 L695 K845 L869	L610-M693 HydrophobicContact CD1-CB 4.46Å; L610-M693 HydrophobicContact CD1-CE 4.04Å; R689-M693 WeakPolarHBondContact O-CB 3.49Å; R689-M693 PolarHBondContact O-N 3.49Å; L690-M693 HydrophobicContact CD2-CE 3.54Å; L690-M693 PolarHBondContact O-N 3.49Å; M693-L695 HydrophobicContact CE-CD1 4.17Å; M693-L695 HydrophobicContact CE-CD2 3.92Å; M693-L695 HydrophobicContact CE-CG 4.14Å; M693-L695 HydrophobicContact CG-CD2 3.67Å; M693-L695 HydrophobicContact CG-CG 3.96Å; M693-L695 HydrophobicContact SD-CD2 3.82Å; M693-L695 HydrophobicContact SD-CG 4.48Å; M693-K845 HydrophobicContact SD-CD 4.18Å; M693-K845 WeakPolarHBondContact SD-CE 3.3Å; M693-K845 HydrophobicContact SD-CG 4.15Å; M693-L869 HydrophobicContact CE-CB 3.95Å; M693-L869 HydrophobicContact CE-CD1 3.75Å; M693-L869 HydrophobicContact CE-CD2 3.62Å; M693-L869 HydrophobicContact CE-CG 3.97Å; M693-L869 HydrophobicContact SD-CD1 4.45Å
694	N	91.5	Very high	90.7	Very high	92 Å²	92	57.3 Å²	57.3	49%	0.492	32%	0.318	S	S	.	.			trans	-94.6	101.2	168.9	-168.7	35.1	0	0	0	110.1	Q698	N694-Q698 PolarHBondContact ND2-OE1 3.09Å; N694-Q698 PolarHBondContact O-NE2 3.19Å
695	L	94.7	Very high	90.7	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.042	30%	0.298	C	S	.	.			trans	-95.3	148.7	-179.6	-69.7	-174.4	0	0	0	112.7	L610 R612 M693 P715 T867 L869	L610-L695 HydrophobicContact CD1-CD1 3.97Å; L610-L695 HydrophobicContact CD2-CD1 4.06Å; L610-L695 HydrophobicContact CG-CD1 4.42Å; R612-L695 HydrophobicContact CB-CB 4.06Å; R612-L695 HydrophobicContact CB-CD1 4.3Å; M693-L695 HydrophobicContact CE-CD1 4.17Å; M693-L695 HydrophobicContact CE-CD2 3.92Å; M693-L695 HydrophobicContact CE-CG 4.14Å; M693-L695 HydrophobicContact CG-CD2 3.67Å; M693-L695 HydrophobicContact CG-CG 3.96Å; M693-L695 HydrophobicContact SD-CD2 3.82Å; M693-L695 HydrophobicContact SD-CG 4.48Å; L695-P715 HydrophobicContact CB-CB 4.04Å; L695-P715 HydrophobicContact CB-CG 3.78Å; L695-T867 HydrophobicContact CD2-CG2 4.16Å; L695-L869 HydrophobicContact CD1-CB 3.84Å; L695-L869 HydrophobicContact CD1-CD2 4.47Å; L695-L869 HydrophobicContact CD2-CB 3.85Å
696	G	94.4	Very high	90.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.8	-156.2	-177.6	0	0	0	0	0	112.9	Q698 Y866 T867	G696-Q698 PolarHBondContact O-N 2.82Å; G696-Q698 PolarHBondContact O-NE2 2.68Å; G696-Y866 WeakPolarHBondContact O-CA 3.49Å; G696-T867 PolarHBondContact N-O 3.17Å; G696-T867 PolarHBondContact O-N 3.19Å
697	P	92.6	Very high	90.5	Very high	62 Å²	62	53 Å²	53	40%	0.403	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	133.2	174	-20.4	32.9	0	0	0	110.6	W702 V865 Y866	P697-W702 HydrophobicContact CB-CB 3.98Å; P697-W702 HydrophobicContact CB-CG 4.02Å; P697-W702 HydrophobicContact CG-CG 4.26Å; P697-V865 WeakPolarHBondContact CA-O 3.38Å; P697-Y866 HydrophobicContact CB-CD2 4.33Å; P697-Y866 VanDerWaalsContact CD-CE2 3.43Å; P697-Y866 HydrophobicContact CG-CD2 3.88Å; P697-Y866 HydrophobicContact CG-CE2 3.71Å
698	Q	92.3	Very high	90.4	Very high	49 Å²	49	56 Å²	56	23%	0.229	31%	0.307	C	S	.	.			trans	-81	-36.7	-178.7	-61.1	-57.2	-66	0	0	112.7	N694 G696 L864 V865 T867	N694-Q698 PolarHBondContact ND2-OE1 3.09Å; N694-Q698 PolarHBondContact O-NE2 3.19Å; G696-Q698 PolarHBondContact O-N 2.82Å; G696-Q698 PolarHBondContact O-NE2 2.68Å; Q698-L864 WeakPolarHBondContact CB-O 3.44Å; Q698-L864 HydrophobicContact CG-CD2 3.9Å; Q698-L864 HydrophobicContact CG-CG 3.83Å; Q698-V865 PolarHBondContact N-O 3.49Å; Q698-T867 PolarHBondContact NE2-OG1 2.92Å
699	D	88	Confident	90.4	Very high	82 Å²	82	51.8 Å²	51.8	44%	0.439	29%	0.291	S	S	.	.	S	Bend	trans	-157.1	-172.1	179.9	61.4	32.1	0	0	0	111	T701	D699-T701 PolarHBondContact O-N 3.49Å; D699-T701 WeakPolarHBondContact OD1-CA 3.43Å; D699-T701 WeakPolarHBondContact OD1-CB 3.42Å; D699-T701 PolarHBondContact OD1-N 3.08Å; D699-T701 PolarHBondContact OD1-OG1 2.9Å
700	E	87.1	Confident	90.2	Very high	160 Å²	160	53.5 Å²	53.5	75%	0.748	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.5	179.9	-60.4	-175.3	167.2	0	0	114	W702 S703 T704	E700-W702 VanDerWaalsContact C-N 3.29Å; E700-W702 PolarHBondContact O-N 3.45Å; E700-S703 PolarHBondContact O-N 2.94Å; E700-T704 WeakPolarHBondContact O-CB 3.12Å; E700-T704 PolarHBondContact O-N 3.27Å; E700-T704 PolarHBondContact O-OG1 2.96Å
701	T	89.7	Confident	90	Very high	43 Å²	43	54.3 Å²	54.3	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-39.4	179.6	-49.7	0	0	0	0	110.9	D699 S703 T704 L705 V865	D699-T701 PolarHBondContact O-N 3.49Å; D699-T701 WeakPolarHBondContact OD1-CA 3.43Å; D699-T701 WeakPolarHBondContact OD1-CB 3.42Å; D699-T701 PolarHBondContact OD1-N 3.08Å; D699-T701 PolarHBondContact OD1-OG1 2.9Å; T701-S703 VanDerWaalsContact C-N 3.3Å; T701-S703 PolarHBondContact O-N 3.33Å; T701-T704 PolarHBondContact O-N 2.97Å; T701-L705 HydrophobicContact CG2-CD1 3.85Å; T701-L705 HydrophobicContact CG2-CG 4Å; T701-L705 WeakPolarHBondContact O-CB 3.37Å; T701-L705 VanDerWaalsContact O-CG 3.24Å; T701-L705 WeakPolarHBondContact O-CG 3.48Å; T701-L705 PolarHBondContact O-N 3.34Å; T701-V865 HydrophobicContact CG2-CG1 3.81Å
702	W	90.2	Very high	90.1	Very high	15 Å²	15	56 Å²	56	6%	0.057	31%	0.309	C	S	.	.	H	α-helix	trans	-52	-49.3	175.8	173.7	-94.8	0	0	0	112.1	P697 E700 L707 L709 F786 V865 Y866	P697-W702 HydrophobicContact CB-CB 3.98Å; P697-W702 HydrophobicContact CB-CG 4.02Å; P697-W702 HydrophobicContact CG-CG 4.26Å; E700-W702 VanDerWaalsContact C-N 3.29Å; E700-W702 PolarHBondContact O-N 3.45Å; W702-L707 HydrophobicContact CD2-CB 3.82Å; W702-L707 HydrophobicContact CD2-CD1 4.4Å; W702-L707 HydrophobicContact CE3-CB 3.83Å; W702-L707 HydrophobicContact CE3-CD1 3.67Å; W702-L707 HydrophobicContact CE3-CG 4.41Å; W702-L707 HydrophobicContact CH2-CB 3.77Å; W702-L707 HydrophobicContact CH2-CD1 4.41Å; W702-L707 HydrophobicContact CZ2-CB 3.72Å; W702-L707 HydrophobicContact CZ3-CB 3.82Å; W702-L707 HydrophobicContact CZ3-CD1 3.69Å; W702-L707 HydrophobicContact CZ3-CG 4.36Å; W702-L707 PolarHBondContact NE1-O 2.94Å; W702-L707 PolarHBondContact O-N 2.89Å; W702-L709 HydrophobicContact CH2-CD2 4.06Å; W702-L709 HydrophobicContact CZ2-CD2 3.67Å; W702-L709 HydrophobicContact CZ2-CG 4.25Å; W702-F786 HydrophobicContact CH2-CB 4.27Å; W702-F786 HydrophobicContact CH2-CD2 4.26Å; W702-F786 HydrophobicContact CH2-CG 4.17Å; W702-V865 HydrophobicContact CB-CB 4.49Å; W702-V865 HydrophobicContact CE3-CB 4.25Å; W702-V865 HydrophobicContact CE3-CG2 3.89Å; W702-V865 HydrophobicContact CZ3-CG2 4.33Å; W702-Y866 AromaticContact CD2-CD2 3.8Å; W702-Y866 HydrophobicContact CD2-CD2 3.8Å; W702-Y866 AromaticContact CE2-CD2 3.9Å; W702-Y866 AromaticContact CE3-CD2 3.78Å; W702-Y866 HydrophobicContact CE3-CD2 3.78Å; W702-Y866 HydrophobicContact CE3-CG 4.18Å; W702-Y866 HydrophobicContact CG-CD2 4.49Å; W702-Y866 AromaticContact CH2-CD2 3.98Å; W702-Y866 HydrophobicContact CH2-CD2 3.98Å; W702-Y866 HydrophobicContact CH2-CG 4.4Å; W702-Y866 HydrophobicContact CZ2-CD2 4Å; W702-Y866 HydrophobicContact CZ2-CE2 4.31Å; W702-Y866 AromaticContact CZ3-CD2 3.86Å; W702-Y866 HydrophobicContact CZ3-CD2 3.86Å; W702-Y866 HydrophobicContact CZ3-CG 4.05Å
703	S	87.8	Confident	90.2	Very high	88 Å²	88	52.6 Å²	52.6	62%	0.615	29%	0.286	S	S	*	.	H	α-helix	trans	-72.1	-38.4	178.5	-57.4	0	0	0	0	112.3	E700 T701 L705 G706	E700-S703 PolarHBondContact O-N 2.94Å; T701-S703 VanDerWaalsContact C-N 3.3Å; T701-S703 PolarHBondContact O-N 3.33Å; S703-L705 VanDerWaalsContact C-N 3.31Å; S703-L705 PolarHBondContact O-N 2.99Å; S703-G706 PolarHBondContact O-N 3.19Å
704	T	89.2	Confident	90.4	Very high	107 Å²	107	53.2 Å²	53.2	66%	0.656	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-35.5	179.3	-56.5	0	0	0	0	112.2	E700 T701 G706	E700-T704 WeakPolarHBondContact O-CB 3.12Å; E700-T704 PolarHBondContact O-N 3.27Å; E700-T704 PolarHBondContact O-OG1 2.96Å; T701-T704 PolarHBondContact O-N 2.97Å; T704-G706 PolarHBondContact O-N 2.68Å
705	L	89.9	Confident	90.6	Very high	9 Å²	9	48.9 Å²	48.9	5%	0.047	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4	174.7	-61.7	177.4	0	0	0	113.2	T701 S703 L707 S790 L794 A850 V865	T701-L705 HydrophobicContact CG2-CD1 3.85Å; T701-L705 HydrophobicContact CG2-CG 4Å; T701-L705 WeakPolarHBondContact O-CB 3.37Å; T701-L705 VanDerWaalsContact O-CG 3.24Å; T701-L705 WeakPolarHBondContact O-CG 3.48Å; T701-L705 PolarHBondContact O-N 3.34Å; S703-L705 VanDerWaalsContact C-N 3.31Å; S703-L705 PolarHBondContact O-N 2.99Å; L705-L707 VanDerWaalsContact C-N 3.34Å; L705-L707 HydrophobicContact CB-CD1 4.22Å; L705-L707 HydrophobicContact CB-CG 4.08Å; L705-L707 HydrophobicContact CD1-CD1 4.3Å; L705-S790 WeakPolarHBondContact O-CB 3.41Å; L705-L794 HydrophobicContact CB-CD1 3.98Å; L705-L794 HydrophobicContact CB-CD2 4.47Å; L705-L794 HydrophobicContact CD2-CD2 3.8Å; L705-A850 HydrophobicContact CD1-CB 3.53Å; L705-V865 HydrophobicContact CD1-CG1 4.11Å
706	G	89.2	Confident	90.6	Very high	15 Å²	15	48.9 Å²	48.9	16%	0.155	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	29.3	-178.6	0	0	0	0	0	113.5	S703 T704 K788 E789	S703-G706 PolarHBondContact O-N 3.19Å; T704-G706 PolarHBondContact O-N 2.68Å; G706-K788 WeakPolarHBondContact O-CA 3.4Å; G706-E789 PolarHBondContact O-N 3.25Å
707	L	90.6	Very high	90.7	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.7	176.9	-61.6	173.1	0	0	0	110.2	W702 L705 F786 S787 K788 L794 A850 V865	W702-L707 HydrophobicContact CD2-CB 3.82Å; W702-L707 HydrophobicContact CD2-CD1 4.4Å; W702-L707 HydrophobicContact CE3-CB 3.83Å; W702-L707 HydrophobicContact CE3-CD1 3.67Å; W702-L707 HydrophobicContact CE3-CG 4.41Å; W702-L707 HydrophobicContact CH2-CB 3.77Å; W702-L707 HydrophobicContact CH2-CD1 4.41Å; W702-L707 HydrophobicContact CZ2-CB 3.72Å; W702-L707 HydrophobicContact CZ3-CB 3.82Å; W702-L707 HydrophobicContact CZ3-CD1 3.69Å; W702-L707 HydrophobicContact CZ3-CG 4.36Å; W702-L707 PolarHBondContact NE1-O 2.94Å; W702-L707 PolarHBondContact O-N 2.89Å; L705-L707 VanDerWaalsContact C-N 3.34Å; L705-L707 HydrophobicContact CB-CD1 4.22Å; L705-L707 HydrophobicContact CB-CG 4.08Å; L705-L707 HydrophobicContact CD1-CD1 4.3Å; L707-F786 HydrophobicContact CD2-CD2 4.05Å; L707-F786 HydrophobicContact CD2-CE2 4.13Å; L707-S787 WeakPolarHBondContact CA-O 3.36Å; L707-K788 HydrophobicContact CD2-CB 4.24Å; L707-L794 HydrophobicContact CD2-CD1 3.93Å; L707-L794 HydrophobicContact CG-CD1 4.35Å; L707-A850 HydrophobicContact CD1-CB 4.13Å; L707-V865 HydrophobicContact CD1-CG2 4.28Å
708	K	89.1	Confident	90.6	Very high	101 Å²	101	50.3 Å²	50.3	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.8	176.7	-68.8	-169.9	-173.7	162.6	0	112.3	F786 S787 E789	K708-F786 CarbonylContact O-C 3.45Å; K708-F786 WeakPolarHBondContact O-CA 3.41Å; K708-F786 WeakPolarHBondContact O-CB 3.49Å; K708-S787 PolarHBondContact N-O 2.87Å; K708-S787 PolarHBondContact O-N 3.47Å; K708-S787 PolarHBondContact O-OG 3.43Å; K708-E789 HydrophobicContact CD-CG 4.36Å; K708-E789 WeakPolarHBondContact CD-OE1 3.24Å; K708-E789 WeakPolarHBondContact CE-OE1 3.34Å; K708-E789 WeakPolarHBondContact CE-OE2 3.37Å; K708-E789 IonicContact NZ-OE1 2.78Å; K708-E789 PolarHBondContact NZ-OE1 3.39Å; K708-E789 IonicContact NZ-OE2 3.82Å; K708-E789 PolarHBondContact NZ-OE2 3.01Å
709	L	90.8	Very high	90.5	Very high	34 Å²	34	48.2 Å²	48.2	18%	0.178	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.6	-179.7	-55.8	178	0	0	0	111.3	W702 Y866 Y868	W702-L709 HydrophobicContact CH2-CD2 4.06Å; W702-L709 HydrophobicContact CZ2-CD2 3.67Å; W702-L709 HydrophobicContact CZ2-CG 4.25Å; L709-Y866 HydrophobicContact CD1-CE2 4.16Å; L709-Y866 WeakPolarHBondContact CD1-OH 3.44Å; L709-Y866 HydrophobicContact CD2-CE2 3.82Å; L709-Y866 HydrophobicContact CG-CE2 4.41Å; L709-Y868 VanDerWaalsContact CD2-OH 3.26Å; L709-Y868 WeakPolarHBondContact CD2-OH 3.39Å
710	L	88.2	Confident	90.2	Very high	69 Å²	69	47.6 Å²	47.6	36%	0.361	26%	0.259	S	S	.	.	S	Bend	trans	-112.6	-11.1	172.5	-64.5	176	0	0	0	112.7	R785 H830	L710-R785 HydrophobicContact CB-CB 3.91Å; L710-R785 HydrophobicContact CD1-CB 4.45Å; L710-R785 PolarHBondContact N-O 2.81Å; L710-H830 HydrophobicContact CD1-CB 4.27Å
711	S	88.2	Confident	89.4	Confident	20 Å²	20	45.3 Å²	45.3	14%	0.14	26%	0.256	C	S	.	.	S	Bend	trans	-147.2	148.9	174.8	72.5	0	0	0	0	108.3	I784 R785	S711-I784 WeakPolarHBondContact OG-CA 3.33Å; S711-R785 PolarHBondContact N-O 3.08Å; S711-R785 VanDerWaalsContact N-O 3.16Å; S711-R785 PolarHBondContact OG-N 3.23Å; S711-R785 PolarHBondContact OG-O 3.37Å
712	H	90.7	Very high	87.6	Confident	75 Å²	75	49.4 Å²	49.4	35%	0.347	28%	0.281	S	S	.	.			trans	57.3	74.8	173.3	-49.2	94.2	0	0	0	112.2	D714 I717 K783 Y868	H712-D714 PolarHBondContact O-N 2.7Å; H712-I717 HydrophobicContact CB-CD1 3.73Å; H712-I717 HydrophobicContact CB-CG1 3.88Å; H712-K783 PolarHBondContact CE1-O 3.42Å; H712-Y868 HydrophobicContact CB-CE1 4.41Å
713	D	90.9	Very high	85.5	Confident	50 Å²	50	51.5 Å²	51.5	27%	0.267	31%	0.307	S	S	.	.	S	Bend	trans	-62	-18.6	172.3	-67.2	-45.5	0	0	0	112.8	A616 R633	A616-D713 HydrophobicContact CB-CB 4.14Å; R633-D713 IonicContact CZ-OD1 2.64Å; R633-D713 IonicContact CZ-OD2 2.7Å; R633-D713 IonicContact NH1-OD1 3.13Å; R633-D713 PolarHBondContact NH1-OD1 3.29Å; R633-D713 IonicContact NH1-OD2 2.74Å; R633-D713 VanDerWaalsContact NH2-CG 3.35Å; R633-D713 IonicContact NH2-OD1 3.13Å; R633-D713 PolarHBondContact NH2-OD1 3.35Å; R633-D713 IonicContact NH2-OD2 2.55Å; R633-D713 PolarHBondContact NH2-OD2 3.3Å
714	D	94.1	Very high	82.9	Confident	35 Å²	35	52.9 Å²	52.9	19%	0.187	32%	0.317	C	S	.	.	S	Bend	trans	-94.6	123.7	171.7	-167.8	-24.7	0	0	0	109.9	R612 I614 I638 H712 L716	R612-D714 WeakPolarHBondContact CD-OD1 3.34Å; R612-D714 IonicContact CZ-OD1 3.66Å; R612-D714 IonicContact CZ-OD2 3.64Å; R612-D714 VanDerWaalsContact NE-CG 3.34Å; R612-D714 IonicContact NE-OD1 4Å; R612-D714 PolarHBondContact NE-OD1 3.34Å; R612-D714 IonicContact NE-OD2 3.07Å; R612-D714 PolarHBondContact NE-OD2 3.44Å; R612-D714 IonicContact NH2-OD1 3.14Å; R612-D714 IonicContact NH2-OD2 3.71Å; R612-D714 PolarHBondContact NH2-OD2 3.45Å; I614-D714 HydrophobicContact CG2-CB 4.41Å; I638-D714 WeakPolarHBondContact CD1-OD2 3.46Å; H712-D714 PolarHBondContact O-N 2.7Å; D714-L716 PolarHBondContact O-N 3.43Å; D714-L716 PolarHBondContact OD1-N 2.79Å
715	P	95.4	Very high	80.1	Confident	1 Å²	1	56 Å²	56	1%	0.006	33%	0.327	C	S	.	.	S	Bend	trans	-70.8	-9.5	176.1	29.4	-34.8	0	0	0	113.9	R612 L695 Y866 Y868 L869	R612-P715 HydrophobicContact CB-CG 4.46Å; L695-P715 HydrophobicContact CB-CB 4.04Å; L695-P715 HydrophobicContact CB-CG 3.78Å; P715-Y866 HydrophobicContact CB-CE1 4.01Å; P715-Y868 HydrophobicContact CB-CD1 4.29Å; P715-Y868 CarbonylContact O-C 3.55Å; P715-Y868 VanDerWaalsContact O-CA 3.3Å; P715-Y868 WeakPolarHBondContact O-CA 3.46Å; P715-L869 PolarHBondContact O-N 2.95Å
716	L	95.4	Very high	77.2	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.037	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.6	163.2	172.1	47.6	0	0	0	109.6	L610 D714 L869 E871	L610-L716 HydrophobicContact CD2-CD2 3.98Å; D714-L716 PolarHBondContact O-N 3.43Å; D714-L716 PolarHBondContact OD1-N 2.79Å; L716-L869 CarbonylContact C-O 3.44Å; L716-L869 WeakPolarHBondContact CA-O 3.29Å; L716-L869 HydrophobicContact CD1-CB 4.22Å; L716-L869 HydrophobicContact CD1-CD2 3.78Å; L716-L869 HydrophobicContact CD1-CG 3.9Å; L716-E871 HydrophobicContact CD1-CB 4.4Å
717	I	94.4	Very high	74.4	Confident	5 Å²	5	71.5 Å²	71.5	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117	177.4	-57.3	173.1	0	0	0	109.6	H712 L782 I784 Y868 L869 I870 E871	H712-I717 HydrophobicContact CB-CD1 3.73Å; H712-I717 HydrophobicContact CB-CG1 3.88Å; I717-L782 HydrophobicContact CB-CD2 4.42Å; I717-L782 HydrophobicContact CD1-CD2 4.32Å; I717-L782 HydrophobicContact CG2-CD1 3.76Å; I717-L782 HydrophobicContact CG2-CD2 3.73Å; I717-L782 HydrophobicContact CG2-CG 4.43Å; I717-I784 HydrophobicContact CD1-CD1 3.46Å; I717-I784 VanDerWaalsContact CD1-CD1 3.46Å; I717-I784 HydrophobicContact CD1-CG1 3.81Å; I717-Y868 HydrophobicContact CD1-CD1 3.55Å; I717-Y868 HydrophobicContact CD1-CE1 3.83Å; I717-Y868 HydrophobicContact CD1-CG 4.39Å; I717-Y868 HydrophobicContact CG1-CD1 4.09Å; I717-L869 PolarHBondContact N-O 3.41Å; I717-I870 HydrophobicContact CB-CG1 4.28Å; I717-I870 CarbonylContact O-C 3.58Å; I717-I870 WeakPolarHBondContact O-CA 3.48Å; I717-E871 PolarHBondContact O-N 2.84Å
718	H	91.5	Very high	71.4	Confident	88 Å²	88	82.2 Å²	82.2	41%	0.407	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.8	165.5	-49.9	-75.9	0	0	0	108.7	E871	H718-E871 IonicContact CE1-OE2 3.63Å; H718-E871 PolarHBondContact CE1-OE2 3.42Å; H718-E871 IonicContact CG-OE2 3.87Å; H718-E871 IonicContact ND1-OE2 3.87Å; H718-E871 PolarHBondContact ND1-OE2 3.04Å
719	V	90	Very high	68.7	Low	5 Å²	5	86.3 Å²	86.3	3%	0.03	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-69.2	131.4	-179	175.7	0	0	0	0	110.2	T721 D781 L782 I837 I870 E871 P873	V719-T721 PolarHBondContact O-N 2.99Å; V719-D781 HydrophobicContact CG1-CB 4.27Å; V719-L782 HydrophobicContact CG2-CD2 4.35Å; V719-I837 HydrophobicContact CG1-CG1 4.15Å; V719-I837 HydrophobicContact CG2-CD1 3.86Å; V719-I837 HydrophobicContact CG2-CG1 4.01Å; V719-I870 HydrophobicContact CG2-CG2 3.47Å; V719-I870 VanDerWaalsContact CG2-CG2 3.47Å; V719-E871 PolarHBondContact N-O 2.84Å; V719-P873 WeakPolarHBondContact O-CD 3.46Å
720	P	81.9	Confident	66.1	Low	68 Å²	68	90 Å²	90	44%	0.442	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-55.8	134.2	178.7	-27	35.4	0	0	0	113.3
721	T	69.3	Low	63.7	Low	112 Å²	112	94.4 Å²	94.4	69%	0.687	50%	0.495	S	S	*	.	S	Bend	trans	-82.3	-17	176	-29.4	0	0	0	0	112.6	V719 G723 P873	V719-T721 PolarHBondContact O-N 2.99Å; T721-G723 PolarHBondContact O-N 3.06Å; T721-P873 HydrophobicContact CG2-CB 4.35Å; T721-P873 HydrophobicContact CG2-CG 4.43Å
722	T	51.9	Low	61.5	Low	130 Å²	130	95.9 Å²	95.9	80%	0.798	51%	0.505	S	S	*	.			trans	-75.5	73.7	176	48	0	0	0	0	111.1
723	G	47.2	Very low	59.5	Low	58 Å²	58	99.9 Å²	99.9	60%	0.598	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-62.5	155.7	159.7	0	0	0	0	0	111.1	T721	T721-G723 PolarHBondContact O-N 3.06Å
724	S	33	Very low	57.6	Low	118 Å²	118	101.8 Å²	101.8	83%	0.825	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-47.3	140.1	-174.9	-53.5	0	0	0	0	114.1	E726	S724-E726 PolarHBondContact O-N 2.82Å
725	I	31.1	Very low	55.6	Low	171 Å²	171	104.2 Å²	104.2	88%	0.877	55%	0.548	S	S	*	.	S	Bend	trans	-62.4	121.3	175.5	-62.7	163.5	0	0	0	108.9
726	E	28.8	Very low	54	Low	173 Å²	173	108 Å²	108	81%	0.808	57%	0.568	S	S	*	*			trans	135.3	50.4	164	-73.3	-162	175	0	0	114.2	S724 R728	S724-E726 PolarHBondContact O-N 2.82Å; E726-R728 VanDerWaalsContact C-N 3.26Å; E726-R728 PolarHBondContact O-N 3.21Å
727	L	30.9	Very low	51.9	Low	177 Å²	177	112.9 Å²	112.9	93%	0.927	59%	0.592	S	S	*	*			trans	-69.1	81.4	163.8	-75.8	169.5	0	0	0	111.1	K729	L727-K729 PolarHBondContact O-N 2.88Å; L727-K729 VanDerWaalsContact O-N 3.14Å
728	R	26.7	Very low	49.9	Very low	230 Å²	230	115.5 Å²	115.5	87%	0.868	61%	0.61	S	S	*	*			trans	-62.2	112.9	158.1	-86.4	-173.1	174.1	179	2.2	108	E726 T730	E726-R728 VanDerWaalsContact C-N 3.26Å; E726-R728 PolarHBondContact O-N 3.21Å; R728-T730 PolarHBondContact O-N 3.43Å
729	K	31.5	Very low	48.2	Very low	186 Å²	186	115.8 Å²	115.8	81%	0.809	61%	0.612	S	S	*	*			trans	-51.6	113.9	176.1	-172.4	-177.1	-178.1	-171.7	0	109.7	L727 R731	L727-K729 PolarHBondContact O-N 2.88Å; L727-K729 VanDerWaalsContact O-N 3.14Å; K729-R731 PolarHBondContact O-N 3.33Å
730	T	37.5	Very low	46.4	Very low	113 Å²	113	123.9 Å²	123.9	69%	0.693	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-60.9	127.8	175.1	44.8	0	0	0	0	109	R728	R728-T730 PolarHBondContact O-N 3.43Å
731	R	36.5	Very low	45.2	Very low	161 Å²	161	125.9 Å²	125.9	61%	0.608	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-72.6	136.2	177.7	-66.4	-172.9	-174.3	-177.1	2.1	109.1	K729 E735 I736	K729-R731 PolarHBondContact O-N 3.33Å; R731-E735 HydrophobicContact CB-CB 4.28Å; R731-I736 HydrophobicContact CB-CG1 4.4Å
732	S	43.5	Very low	44.2	Very low	50 Å²	50	126.6 Å²	126.6	35%	0.35	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-64.4	154	178.7	63.6	0	0	0	0	111.5	S734 E735 I736	S732-S734 PolarHBondContact O-N 2.9Å; S732-S734 VanDerWaalsContact O-N 3.11Å; S732-E735 WeakPolarHBondContact CB-OE2 3.03Å; S732-E735 PolarHBondContact N-OE2 3.5Å; S732-E735 PolarHBondContact O-N 2.84Å; S732-E735 WeakPolarHBondContact OG-CG 3.47Å; S732-E735 PolarHBondContact OG-N 3.02Å; S732-E735 VanDerWaalsContact OG-N 3.16Å; S732-E735 PolarHBondContact OG-OE2 3.49Å; S732-I736 PolarHBondContact O-N 2.96Å
733	K	48.6	Very low	44	Very low	159 Å²	159	126.9 Å²	126.9	69%	0.691	65%	0.646	S	S	*	*	H	α-helix	trans	-52.3	-33.4	171.7	-170.2	176.7	-177.9	177.4	0	111.8	M737	K733-M737 HydrophobicContact CG-CE 4.47Å; K733-M737 HydrophobicContact CG-SD 4.14Å; K733-M737 WeakPolarHBondContact O-CB 3.42Å; K733-M737 WeakPolarHBondContact O-CG 3.49Å; K733-M737 PolarHBondContact O-N 3.39Å
734	S	50.8	Low	43.5	Very low	90 Å²	90	127 Å²	127	63%	0.629	65%	0.648	S	S	*	*	H	α-helix	trans	-65.2	-45.3	175.1	-43.3	0	0	0	0	112.8	S732 M737 S738	S732-S734 PolarHBondContact O-N 2.9Å; S732-S734 VanDerWaalsContact O-N 3.11Å; S734-M737 PolarHBondContact O-N 3Å; S734-S738 WeakPolarHBondContact O-CB 3.39Å; S734-S738 PolarHBondContact O-N 2.92Å; S734-S738 PolarHBondContact O-OG 3.29Å
735	E	52.6	Low	43.7	Very low	86 Å²	86	128.5 Å²	128.5	40%	0.402	65%	0.646	S	S	.	*	H	α-helix	trans	-63.4	-46	175.3	-76.8	160	111.7	0	0	110.8	R731 S732 M737 S738 Q739	R731-E735 HydrophobicContact CB-CB 4.28Å; S732-E735 WeakPolarHBondContact CB-OE2 3.03Å; S732-E735 PolarHBondContact N-OE2 3.5Å; S732-E735 PolarHBondContact O-N 2.84Å; S732-E735 WeakPolarHBondContact OG-CG 3.47Å; S732-E735 PolarHBondContact OG-N 3.02Å; S732-E735 VanDerWaalsContact OG-N 3.16Å; S732-E735 PolarHBondContact OG-OE2 3.49Å; E735-M737 PolarHBondContact O-N 3.36Å; E735-S738 PolarHBondContact O-N 3.38Å; E735-S738 PolarHBondContact O-OG 3.02Å; E735-Q739 PolarHBondContact O-N 3.45Å
736	I	60	Low	43.8	Very low	82 Å²	82	130 Å²	130	42%	0.421	65%	0.647	S	S	.	*	H	α-helix	trans	-58.7	-49.4	176.8	-61.7	169.4	0	0	0	110.4	R731 S732 S738 Q739 Y740	R731-I736 HydrophobicContact CB-CG1 4.4Å; S732-I736 PolarHBondContact O-N 2.96Å; I736-S738 PolarHBondContact O-N 3.2Å; I736-Q739 WeakPolarHBondContact O-CB 3.32Å; I736-Q739 PolarHBondContact O-N 3.48Å; I736-Y740 HydrophobicContact CG2-CD2 4.03Å; I736-Y740 HydrophobicContact CG2-CE2 4.11Å; I736-Y740 WeakPolarHBondContact O-CD2 3.38Å; I736-Y740 PolarHBondContact O-N 2.92Å; I736-Y740 VanDerWaalsContact O-N 3.08Å
737	M	53.1	Low	43.6	Very low	109 Å²	109	128.1 Å²	128.1	54%	0.537	65%	0.647	S	S	.	*	H	α-helix	trans	-66.9	-35.4	178.5	-78.6	175.2	167.1	0	0	113.1	K733 S734 E735 Q739 Y740 V741	K733-M737 HydrophobicContact CG-CE 4.47Å; K733-M737 HydrophobicContact CG-SD 4.14Å; K733-M737 WeakPolarHBondContact O-CB 3.42Å; K733-M737 WeakPolarHBondContact O-CG 3.49Å; K733-M737 PolarHBondContact O-N 3.39Å; S734-M737 PolarHBondContact O-N 3Å; E735-M737 PolarHBondContact O-N 3.36Å; M737-Q739 PolarHBondContact O-N 2.96Å; M737-Y740 PolarHBondContact O-N 3.39Å; M737-V741 WeakPolarHBondContact O-CB 3.47Å; M737-V741 VanDerWaalsContact O-CG2 3.3Å; M737-V741 WeakPolarHBondContact O-CG2 3.25Å; M737-V741 PolarHBondContact O-N 3.33Å
738	S	52.2	Low	43.4	Very low	59 Å²	59	127.5 Å²	127.5	41%	0.413	64%	0.641	S	S	.	*	H	α-helix	trans	-62.2	-34.5	173.7	76.9	0	0	0	0	112.1	S734 E735 I736 N742	S734-S738 WeakPolarHBondContact O-CB 3.39Å; S734-S738 PolarHBondContact O-N 2.92Å; S734-S738 PolarHBondContact O-OG 3.29Å; E735-S738 PolarHBondContact O-N 3.38Å; E735-S738 PolarHBondContact O-OG 3.02Å; I736-S738 PolarHBondContact O-N 3.2Å; S738-N742 VanDerWaalsContact O-CB 3.26Å; S738-N742 WeakPolarHBondContact O-CB 3.39Å; S738-N742 PolarHBondContact O-N 2.99Å; S738-N742 PolarHBondContact O-ND2 3.5Å; S738-N742 VanDerWaalsContact O-ND2 3.13Å
739	Q	56.2	Low	43.3	Very low	95 Å²	95	123.8 Å²	123.8	44%	0.444	64%	0.639	S	S	.	*	H	α-helix	trans	-72.7	-40.9	178.1	-161.2	171.8	-3.8	0	0	111.5	E735 I736 M737 Q743	E735-Q739 PolarHBondContact O-N 3.45Å; I736-Q739 WeakPolarHBondContact O-CB 3.32Å; I736-Q739 PolarHBondContact O-N 3.48Å; M737-Q739 PolarHBondContact O-N 2.96Å; Q739-Q743 WeakPolarHBondContact O-CG 3.44Å; Q739-Q743 PolarHBondContact O-N 3.36Å
740	Y	51.2	Low	43	Very low	174 Å²	174	118.2 Å²	118.2	68%	0.682	63%	0.634	S	S	*	*	H	α-helix	trans	-66.8	-42	173.7	-89.6	-80.7	0	0	0	113.2	I736 M737 Q743	I736-Y740 HydrophobicContact CG2-CD2 4.03Å; I736-Y740 HydrophobicContact CG2-CE2 4.11Å; I736-Y740 WeakPolarHBondContact O-CD2 3.38Å; I736-Y740 PolarHBondContact O-N 2.92Å; I736-Y740 VanDerWaalsContact O-N 3.08Å; M737-Y740 PolarHBondContact O-N 3.39Å; Y740-Q743 PolarHBondContact O-N 3.45Å
741	V	56.5	Low	42.3	Very low	111 Å²	111	119.2 Å²	119.2	67%	0.673	64%	0.64	S	S	*	*	H	α-helix	trans	-65.9	-41.9	177.9	170.6	0	0	0	0	110.9	M737 Q743 G744	M737-V741 WeakPolarHBondContact O-CB 3.47Å; M737-V741 VanDerWaalsContact O-CG2 3.3Å; M737-V741 WeakPolarHBondContact O-CG2 3.25Å; M737-V741 PolarHBondContact O-N 3.33Å; V741-Q743 PolarHBondContact O-N 3Å; V741-G744 PolarHBondContact O-N 3.45Å
742	N	48.9	Very low	41.6	Very low	126 Å²	126	116.4 Å²	116.4	67%	0.674	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-10.5	177.1	-72.5	-25.4	0	0	0	114.3	S738	S738-N742 VanDerWaalsContact O-CB 3.26Å; S738-N742 WeakPolarHBondContact O-CB 3.39Å; S738-N742 PolarHBondContact O-N 2.99Å; S738-N742 PolarHBondContact O-ND2 3.5Å; S738-N742 VanDerWaalsContact O-ND2 3.13Å
743	Q	46.7	Very low	40.8	Very low	136 Å²	136	120.4 Å²	120.4	64%	0.636	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-8.3	174.1	-78.9	178.5	-6.8	0	0	113.7	Q739 Y740 V741	Q739-Q743 WeakPolarHBondContact O-CG 3.44Å; Q739-Q743 PolarHBondContact O-N 3.36Å; Y740-Q743 PolarHBondContact O-N 3.45Å; V741-Q743 PolarHBondContact O-N 3Å
744	G	37.8	Very low	39.5	Very low	62 Å²	62	117.5 Å²	117.5	64%	0.639	67%	0.667	S	S	*	*	S	Bend	trans	-71.7	-34.4	178.2	0	0	0	0	0	114.4	V741	V741-G744 PolarHBondContact O-N 3.45Å
745	D	37.1	Very low	38.3	Very low	149 Å²	149	121.4 Å²	121.4	80%	0.797	68%	0.681	S	S	*	*	S	Bend	trans	-112.1	80.6	-175.3	-90.1	-33.9	0	0	0	112.3
746	K	31.9	Very low	36.8	Very low	203 Å²	203	122.2 Å²	122.2	88%	0.883	70%	0.696	S	S	*	*			trans	-167.7	78.1	151.8	-104.2	147.1	-166.6	176.8	0	111.9
747	T	26.5	Very low	35.1	Very low	133 Å²	133	126.1 Å²	126.1	82%	0.816	72%	0.717	S	S	*	*			trans	-74.7	153.4	153.2	46.6	0	0	0	0	110.1
748	M	25.6	Very low	33.7	Very low	164 Å²	164	128.1 Å²	128.1	81%	0.808	73%	0.728	S	S	*	*			trans	74.9	124.6	167.7	-62	-142.2	172.8	0	0	120.2
749	N	24.7	Very low	32.2	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	74%	0.744	S	S	*	*			trans	71.4	107.4	141.3	-57.3	-14.7	0	0	0	119.7
750	G	24.6	Very low	30.7	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	76%	0.759	S	S	*	*				134.2	106.8	115.3	0	0	0	0	0	118.2
751	V	23.2	Very low	29.2	Very low	135 Å²	135	130.1 Å²	130.1	82%	0.818	76%	0.764	S	S	*	*			trans	58.5	113.2	131.9	-176.3	0	0	0	0	119.1
752	S	22.5	Very low	27.7	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	77%	0.774	S	S	*	*			trans	57.8	133.4	146.5	-51.6	0	0	0	0	118.6
753	T	25.6	Very low	26.6	Very low	133 Å²	133	131.1 Å²	131.1	82%	0.816	78%	0.78	S	S	*	*				-154.1	163.2	53.8	40.5	0	0	0	0	113.1
754	S	21.8	Very low	25.8	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	79%	0.787	S	S	*	*			trans	-41.3	132.5	173.1	51.4	0	0	0	0	116.5
755	D	26	Very low	25.3	Very low	171 Å²	171	134.7 Å²	134.7	91%	0.914	80%	0.796	S	S	*	*				-141.3	137.8	118.4	-120.3	-24.8	0	0	0	109.3
756	S	21.4	Very low	24.8	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	80%	0.8	S	S	*	*			trans	-114.6	128.6	-167.1	-51.4	0	0	0	0	110.8
757	L	24	Very low	24.6	Very low	165 Å²	165	133 Å²	133	86%	0.864	79%	0.794	S	S	*	*			trans	-161.6	89.4	153	-105.8	169.5	0	0	0	111.4
758	I	23	Very low	24.5	Very low	151 Å²	151	134.6 Å²	134.6	77%	0.774	80%	0.798	S	S	*	*			trans	27.2	107.8	154	-51.1	177.2	0	0	0	117.8
759	V	21.9	Very low	24.5	Very low	123 Å²	123	135 Å²	135	75%	0.745	80%	0.798	S	S	*	*			trans	-84.4	125.7	158.2	174.2	0	0	0	0	109.3	T761	V759-T761 PolarHBondContact O-N 2.95Å
760	P	23.2	Very low	24.9	Very low	116 Å²	116	134.1 Å²	134.1	75%	0.753	80%	0.798	S	S	*	*			trans	-70.1	119.3	163.6	-14	29.6	0	0	0	109.6	T762	P760-T762 PolarHBondContact O-N 3.22Å
761	T	20.8	Very low	25.1	Very low	131 Å²	131	138 Å²	138	80%	0.804	80%	0.802	S	S	*	*			trans	-78.6	114.5	176.1	49.3	0	0	0	0	111.2	V759	V759-T761 PolarHBondContact O-N 2.95Å
762	T	25	Very low	25.7	Very low	143 Å²	143	138.5 Å²	138.5	88%	0.877	80%	0.801	S	S	*	*			trans	-125.9	136.3	149.4	39.7	0	0	0	0	109.5	P760	P760-T762 PolarHBondContact O-N 3.22Å
763	S	25.2	Very low	26.5	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	81%	0.807	S	S	*	*			trans	-74.4	161.5	-166.5	35	0	0	0	0	114.1
764	P	31.2	Very low	27.2	Very low	120 Å²	120	139.3 Å²	139.3	78%	0.779	80%	0.802	S	S	*	*			trans	-88.9	123.3	-165.9	34.2	-32.7	0	0	0	112.7
765	D	25.5	Very low	28.6	Very low	154 Å²	154	139.5 Å²	139.5	82%	0.824	79%	0.792	S	S	*	*			trans	-169	80	148.9	-103.7	-22.9	0	0	0	109.1
766	Q	27.3	Very low	30.4	Very low	191 Å²	191	135.7 Å²	135.7	89%	0.893	77%	0.772	S	S	*	*			trans	-154.2	119.7	157.4	-119.4	135.3	99.4	0	0	108.9
767	T	27.2	Very low	32.5	Very low	124 Å²	124	134.9 Å²	134.9	76%	0.761	77%	0.765	S	S	*	*			trans	-55.6	144.9	169	38.7	0	0	0	0	110.3	E769	T767-E769 VanDerWaalsContact C-N 3.29Å; T767-E769 PolarHBondContact O-N 2.91Å
768	N	26	Very low	34.6	Very low	167 Å²	167	133.5 Å²	133.5	89%	0.893	75%	0.748	S	S	*	*			trans	-58.2	83.6	179.6	-57.1	-51.3	0	0	0	112.4
769	E	25.3	Very low	37.3	Very low	173 Å²	173	128 Å²	128	81%	0.808	72%	0.723	S	S	*	*			trans	-71.2	122.4	146.7	-66.9	-169.6	162.1	0	0	105.7	T767 D771	T767-E769 VanDerWaalsContact C-N 3.29Å; T767-E769 PolarHBondContact O-N 2.91Å; E769-D771 PolarHBondContact O-N 2.68Å
770	V	32.6	Very low	40.3	Very low	134 Å²	134	124.7 Å²	124.7	81%	0.812	70%	0.704	S	S	*	*			trans	-65.9	117.9	168.5	173.3	0	0	0	0	105.2	D772	V770-D772 VanDerWaalsContact C-N 3.31Å; V770-D772 PolarHBondContact O-N 2.8Å
771	D	28.9	Very low	43.3	Very low	148 Å²	148	121.3 Å²	121.3	79%	0.791	68%	0.68	S	S	*	*			trans	-55.6	97.9	173.3	-73.6	-56.1	0	0	0	108.9	E769 E773	E769-D771 PolarHBondContact O-N 2.68Å; D771-E773 PolarHBondContact O-N 3.07Å
772	D	36.4	Very low	46.6	Very low	147 Å²	147	115.4 Å²	115.4	79%	0.786	64%	0.644	S	S	*	*			trans	-69.9	86.2	166.5	-169.4	37	0	0	0	105.7	V770 G774	V770-D772 VanDerWaalsContact C-N 3.31Å; V770-D772 PolarHBondContact O-N 2.8Å; D772-G774 VanDerWaalsContact C-N 3.32Å; D772-G774 WeakPolarHBondContact O-CA 3.05Å; D772-G774 PolarHBondContact O-N 2.79Å
773	E	37.5	Very low	49.8	Very low	182 Å²	182	112.6 Å²	112.6	85%	0.85	62%	0.619	S	S	*	*			trans	-52.9	99.6	174.5	-79.8	-169.2	149.8	0	0	107.8	D771 Q775	D771-E773 PolarHBondContact O-N 3.07Å; E773-Q775 PolarHBondContact O-N 3.19Å
774	G	41	Very low	53.1	Low	69 Å²	69	107.1 Å²	107.1	71%	0.711	58%	0.581	S	S	*	*			trans	-54.7	99.6	-158.6	0	0	0	0	0	112.7	D772 D776	D772-G774 VanDerWaalsContact C-N 3.32Å; D772-G774 WeakPolarHBondContact O-CA 3.05Å; D772-G774 PolarHBondContact O-N 2.79Å; G774-D776 PolarHBondContact O-N 2.99Å; G774-D776 VanDerWaalsContact O-N 3.09Å
775	Q	51	Low	56.1	Low	103 Å²	103	105.9 Å²	105.9	48%	0.481	56%	0.561	S	S	.	*			trans	-57.9	118	174.4	-178.3	179.4	-4	0	0	107.4	E773 P777 S779	E773-Q775 PolarHBondContact O-N 3.19Å; Q775-P777 WeakPolarHBondContact O-CD 3.49Å; Q775-S779 PolarHBondContact NE2-OG 2.96Å
776	D	63.6	Low	59.2	Low	92 Å²	92	98.7 Å²	98.7	49%	0.492	52%	0.522	S	S	.	.			trans	-48.3	119.6	-178.4	172.5	8.8	0	0	0	109	G774 R778 S779	G774-D776 PolarHBondContact O-N 2.99Å; G774-D776 VanDerWaalsContact O-N 3.09Å; D776-R778 PolarHBondContact O-N 2.69Å; D776-R778 WeakPolarHBondContact OD1-CB 3.19Å; D776-R778 PolarHBondContact OD1-N 3.03Å; D776-S779 WeakPolarHBondContact O-CB 3.46Å; D776-S779 PolarHBondContact O-N 3.47Å; D776-S779 PolarHBondContact O-OG 3.26Å
777	P	66	Low	62.2	Low	86 Å²	86	89.8 Å²	89.8	56%	0.558	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.7	-178.9	23.9	-34.3	0	0	0	112.7	Q775 Y883	Q775-P777 WeakPolarHBondContact O-CD 3.49Å; P777-Y883 WeakPolarHBondContact O-CE1 3.48Å
778	R	67.7	Low	65.1	Low	136 Å²	136	84 Å²	84	51%	0.513	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	4.4	173.8	-57.9	-176.3	179.4	-174.6	-1.5	114.1	D776 C780 L834	D776-R778 PolarHBondContact O-N 2.69Å; D776-R778 WeakPolarHBondContact OD1-CB 3.19Å; D776-R778 PolarHBondContact OD1-N 3.03Å; R778-C780 PolarHBondContact O-N 2.85Å; R778-L834 HydrophobicContact CB-CD1 4.32Å
779	S	79.6	Confident	67.7	Low	36 Å²	36	80 Å²	80	25%	0.252	42%	0.421	S	S	.	.			trans	-57.1	125.7	177.3	76.6	0	0	0	0	110.9	Q775 D776 R836 Y883	Q775-S779 PolarHBondContact NE2-OG 2.96Å; D776-S779 WeakPolarHBondContact O-CB 3.46Å; D776-S779 PolarHBondContact O-N 3.47Å; D776-S779 PolarHBondContact O-OG 3.26Å; S779-R836 PolarHBondContact O-NE 3.31Å; S779-R836 PolarHBondContact OG-NH2 3.45Å; S779-R836 VanDerWaalsContact OG-NH2 3.1Å; S779-Y883 PolarHBondContact O-OH 3.49Å
780	C	85.1	Confident	70	Confident	52 Å²	52	73.2 Å²	73.2	35%	0.351	39%	0.393	S	S	.	.			trans	-137.7	155.8	179.8	68.7	0	0	0	0	111.9	R778 L834 I835	R778-C780 PolarHBondContact O-N 2.85Å; C780-L834 HydrophobicContact CB-CB 3.92Å; C780-L834 HydrophobicContact CB-CD2 4.39Å; C780-I835 WeakPolarHBondContact CB-O 3.14Å
781	D	86.7	Confident	72	Confident	46 Å²	46	76 Å²	76	25%	0.246	40%	0.396	C	S	.	.	S	Bend	trans	-84.4	-29.9	172.8	-70.5	-69.6	0	0	0	112.3	V719 I835 I837 R875	V719-D781 HydrophobicContact CG1-CB 4.27Å; D781-I835 PolarHBondContact N-O 2.89Å; D781-I837 HydrophobicContact CB-CB 4.31Å; D781-I837 HydrophobicContact CB-CG1 3.73Å; D781-I837 PolarHBondContact OD2-N 3.47Å; D781-R875 IonicContact OD1-CZ 3.18Å; D781-R875 IonicContact OD1-NH1 2.7Å; D781-R875 PolarHBondContact OD1-NH1 3.24Å; D781-R875 IonicContact OD1-NH2 2.74Å; D781-R875 PolarHBondContact OD1-NH2 2.87Å; D781-R875 IonicContact OD2-NH1 3.43Å; D781-R875 PolarHBondContact OD2-NH1 2.88Å
782	L	90.7	Very high	74.4	Confident	7 Å²	7	72.6 Å²	72.6	4%	0.037	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	135.2	-175.3	175	61.4	0	0	0	110.4	I717 V719 I784 I835 I870	I717-L782 HydrophobicContact CB-CD2 4.42Å; I717-L782 HydrophobicContact CD1-CD2 4.32Å; I717-L782 HydrophobicContact CG2-CD1 3.76Å; I717-L782 HydrophobicContact CG2-CD2 3.73Å; I717-L782 HydrophobicContact CG2-CG 4.43Å; V719-L782 HydrophobicContact CG2-CD2 4.35Å; L782-I784 HydrophobicContact CD1-CG1 4.45Å; L782-I784 HydrophobicContact CD2-CD1 4.17Å; L782-I784 HydrophobicContact CD2-CG1 4.27Å; L782-I784 HydrophobicContact CG-CG1 4.12Å; L782-I835 HydrophobicContact CB-CB 4.26Å; L782-I835 HydrophobicContact CD2-CD1 4.05Å; L782-I835 HydrophobicContact CG-CD1 4.31Å; L782-I835 PolarHBondContact N-O 3.19Å; L782-I835 PolarHBondContact O-N 3.13Å; L782-I870 HydrophobicContact CD2-CD1 4.01Å; L782-I870 HydrophobicContact CD2-CG1 4.05Å; L782-I870 HydrophobicContact CD2-CG2 3.98Å
783	K	92	Very high	76.6	Confident	83 Å²	83	73 Å²	73	36%	0.361	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.8	174.4	-172.9	175.9	-165.7	-174.4	0	109.7	H712 R785 E820 T832 Y833 L834	H712-K783 PolarHBondContact CE1-O 3.42Å; K783-R785 HydrophobicContact CD-CG 4.43Å; K783-R785 HydrophobicContact CG-CG 4.17Å; K783-E820 IonicContact NZ-OE1 3.37Å; K783-E820 PolarHBondContact NZ-OE1 2.98Å; K783-T832 HydrophobicContact CD-CG2 4.28Å; K783-T832 VanDerWaalsContact CE-OG1 3.26Å; K783-T832 WeakPolarHBondContact CE-OG1 3.25Å; K783-T832 HydrophobicContact CG-CG2 4.1Å; K783-Y833 WeakPolarHBondContact CA-O 3.32Å; K783-L834 HydrophobicContact CB-CD2 4.31Å; K783-L834 HydrophobicContact CD-CD2 4.05Å; K783-L834 HydrophobicContact CG-CD2 3.87Å
784	I	94	Very high	78.9	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.4	173.4	-59.9	177.3	0	0	0	108.6	S711 I717 L782 T832 Y833 I835 L846 Y868 I870	S711-I784 WeakPolarHBondContact OG-CA 3.33Å; I717-I784 HydrophobicContact CD1-CD1 3.46Å; I717-I784 VanDerWaalsContact CD1-CD1 3.46Å; I717-I784 HydrophobicContact CD1-CG1 3.81Å; L782-I784 HydrophobicContact CD1-CG1 4.45Å; L782-I784 HydrophobicContact CD2-CD1 4.17Å; L782-I784 HydrophobicContact CD2-CG1 4.27Å; L782-I784 HydrophobicContact CG-CG1 4.12Å; I784-T832 CarbonylContact O-C 3.32Å; I784-T832 WeakPolarHBondContact O-CA 3.5Å; I784-Y833 PolarHBondContact N-O 3.35Å; I784-Y833 PolarHBondContact O-N 3.41Å; I784-I835 HydrophobicContact CD1-CD1 3.72Å; I784-I835 HydrophobicContact CG1-CD1 4.21Å; I784-L846 HydrophobicContact CD1-CD2 3.74Å; I784-Y868 HydrophobicContact CD1-CD1 4.46Å; I784-Y868 HydrophobicContact CD1-CD2 4.44Å; I784-Y868 HydrophobicContact CD1-CG 4.38Å; I784-Y868 HydrophobicContact CG2-CE1 4.42Å; I784-Y868 HydrophobicContact CG2-CE2 3.98Å; I784-I870 HydrophobicContact CD1-CD1 4.16Å
785	R	93.6	Very high	81.1	Confident	94 Å²	94	65.5 Å²	65.5	36%	0.355	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.7	-178.3	-62.6	-168.3	-67.6	170.6	1.3	112.5	L710 S711 K783 L831 T832	L710-R785 HydrophobicContact CB-CB 3.91Å; L710-R785 HydrophobicContact CD1-CB 4.45Å; L710-R785 PolarHBondContact N-O 2.81Å; S711-R785 PolarHBondContact N-O 3.08Å; S711-R785 VanDerWaalsContact N-O 3.16Å; S711-R785 PolarHBondContact OG-N 3.23Å; S711-R785 PolarHBondContact OG-O 3.37Å; K783-R785 HydrophobicContact CD-CG 4.43Å; K783-R785 HydrophobicContact CG-CG 4.17Å; R785-L831 VanDerWaalsContact CA-O 3.31Å; R785-L831 WeakPolarHBondContact CA-O 3.39Å; R785-T832 WeakPolarHBondContact CG-OG1 3.43Å
786	F	91.2	Very high	83	Confident	2 Å²	2	61 Å²	61	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	152.4	169.1	50.4	-87.2	0	0	0	110.9	W702 L707 K708 V796 L831 Y833 I848	W702-F786 HydrophobicContact CH2-CB 4.27Å; W702-F786 HydrophobicContact CH2-CD2 4.26Å; W702-F786 HydrophobicContact CH2-CG 4.17Å; L707-F786 HydrophobicContact CD2-CD2 4.05Å; L707-F786 HydrophobicContact CD2-CE2 4.13Å; K708-F786 CarbonylContact O-C 3.45Å; K708-F786 WeakPolarHBondContact O-CA 3.41Å; K708-F786 WeakPolarHBondContact O-CB 3.49Å; F786-V796 HydrophobicContact CE2-CG1 4.36Å; F786-V796 HydrophobicContact CZ-CG1 4.18Å; F786-L831 HydrophobicContact CD2-CB 4.12Å; F786-L831 HydrophobicContact CE1-CB 4.48Å; F786-L831 HydrophobicContact CE1-CD2 4.41Å; F786-L831 HydrophobicContact CE1-CG 4.32Å; F786-L831 HydrophobicContact CE2-CB 3.76Å; F786-L831 HydrophobicContact CE2-CD2 3.63Å; F786-L831 HydrophobicContact CE2-CG 4Å; F786-L831 HydrophobicContact CZ-CB 3.96Å; F786-L831 HydrophobicContact CZ-CD2 3.42Å; F786-L831 VanDerWaalsContact CZ-CD2 3.42Å; F786-L831 HydrophobicContact CZ-CG 3.74Å; F786-L831 PolarHBondContact N-O 3.33Å; F786-L831 PolarHBondContact O-N 3.17Å; F786-Y833 AromaticContact CE1-CD2 3.78Å; F786-Y833 HydrophobicContact CE1-CD2 3.78Å; F786-Y833 AromaticContact CE1-CE2 3.54Å; F786-Y833 HydrophobicContact CE1-CE2 3.54Å; F786-Y833 HydrophobicContact CZ-CD2 4.38Å; F786-Y833 AromaticContact CZ-CE2 3.71Å; F786-Y833 HydrophobicContact CZ-CE2 3.71Å; F786-I848 HydrophobicContact CZ-CG2 4.3Å
787	S	90.1	Very high	84.3	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.028	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150.7	176.3	51.9	0	0	0	0	111.1	L707 K708 E829	L707-S787 WeakPolarHBondContact CA-O 3.36Å; K708-S787 PolarHBondContact N-O 2.87Å; K708-S787 PolarHBondContact O-N 3.47Å; K708-S787 PolarHBondContact O-OG 3.43Å; S787-E829 CarbonylContact C-O 3.59Å; S787-E829 VanDerWaalsContact CA-O 3.23Å; S787-E829 WeakPolarHBondContact CA-O 3.45Å
788	K	87.5	Confident	85.6	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.2	163.4	178.8	-179.4	66.8	82.8	0	109.1	G706 L707 S790 Q792 L794 W819 N828 E829	G706-K788 WeakPolarHBondContact O-CA 3.4Å; L707-K788 HydrophobicContact CD2-CB 4.24Å; K788-S790 PolarHBondContact NZ-O 3.41Å; K788-Q792 PolarHBondContact NZ-O 3.21Å; K788-L794 HydrophobicContact CD-CB 4.44Å; K788-L794 HydrophobicContact CD-CD1 3.55Å; K788-L794 HydrophobicContact CD-CG 3.7Å; K788-L794 HydrophobicContact CG-CD1 4.12Å; K788-W819 HydrophobicContact CB-CZ3 4.47Å; K788-N828 WeakPolarHBondContact O-CB 3.47Å; K788-E829 HydrophobicContact CB-CB 4.41Å; K788-E829 WeakPolarHBondContact CE-OE1 3.08Å; K788-E829 WeakPolarHBondContact CE-OE2 3.46Å; K788-E829 PolarHBondContact N-O 3.27Å; K788-E829 IonicContact NZ-OE1 2.65Å; K788-E829 PolarHBondContact NZ-OE1 2.9Å; K788-E829 IonicContact NZ-OE2 2.66Å; K788-E829 PolarHBondContact NZ-OE2 2.91Å; K788-E829 PolarHBondContact O-N 2.72Å
789	E	80.8	Confident	86.9	Confident	81 Å²	81	51.4 Å²	51.4	38%	0.379	25%	0.249	S	C	.	.			trans	-88.6	-20.1	174.7	-51.7	-162.8	147.9	0	0	112.6	G706 K708	G706-E789 PolarHBondContact O-N 3.25Å; K708-E789 HydrophobicContact CD-CG 4.36Å; K708-E789 WeakPolarHBondContact CD-OE1 3.24Å; K708-E789 WeakPolarHBondContact CE-OE1 3.34Å; K708-E789 WeakPolarHBondContact CE-OE2 3.37Å; K708-E789 IonicContact NZ-OE1 2.78Å; K708-E789 PolarHBondContact NZ-OE1 3.39Å; K708-E789 IonicContact NZ-OE2 3.82Å; K708-E789 PolarHBondContact NZ-OE2 3.01Å
790	S	73.6	Confident	87.7	Confident	32 Å²	32	49.7 Å²	49.7	22%	0.224	24%	0.237	C	C	.	.			trans	-72.3	133.8	178.8	-175.8	0	0	0	0	111.4	L705 K788 Q792	L705-S790 WeakPolarHBondContact O-CB 3.41Å; K788-S790 PolarHBondContact NZ-O 3.41Å; S790-Q792 PolarHBondContact O-N 2.82Å; S790-Q792 VanDerWaalsContact OG-CB 3.27Å; S790-Q792 WeakPolarHBondContact OG-CB 3.39Å; S790-Q792 PolarHBondContact OG-N 3.11Å; S790-Q792 VanDerWaalsContact OG-N 3.15Å
791	H	74.3	Confident	88.2	Confident	191 Å²	191	47.5 Å²	47.5	88%	0.884	22%	0.222	S	C	*	.	S	Bend	trans	-68.1	-9.3	168.5	-64.4	-53.5	0	0	0	113.3
792	Q	80.6	Confident	88.6	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	21%	0.21	S	C	.	.	S	Bend	trans	-67.6	140.5	174.7	-160.8	168.3	28.3	0	0	110.4	K788 S790 P852	K788-Q792 PolarHBondContact NZ-O 3.21Å; S790-Q792 PolarHBondContact O-N 2.82Å; S790-Q792 VanDerWaalsContact OG-CB 3.27Å; S790-Q792 WeakPolarHBondContact OG-CB 3.39Å; S790-Q792 PolarHBondContact OG-N 3.11Å; S790-Q792 VanDerWaalsContact OG-N 3.15Å; Q792-P852 VanDerWaalsContact CD-CB 3.4Å; Q792-P852 HydrophobicContact CG-CB 4.06Å
793	K	82.4	Confident	88.8	Confident	156 Å²	156	45 Å²	45	68%	0.678	21%	0.209	S	C	*	.			trans	-75.7	137.8	168.1	-68.3	-169.7	175.2	-170.9	0	108.9	I853	K793-I853 HydrophobicContact CB-CB 4.09Å; K793-I853 HydrophobicContact CB-CD1 4.01Å; K793-I853 HydrophobicContact CB-CG1 4.08Å; K793-I853 PolarHBondContact O-N 3.3Å
794	L	86.4	Confident	88.8	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.073	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.4	-179.7	-58	-176.2	0	0	0	110.5	L705 L707 K788 V796 T851 P852	L705-L794 HydrophobicContact CB-CD1 3.98Å; L705-L794 HydrophobicContact CB-CD2 4.47Å; L705-L794 HydrophobicContact CD2-CD2 3.8Å; L707-L794 HydrophobicContact CD2-CD1 3.93Å; L707-L794 HydrophobicContact CG-CD1 4.35Å; K788-L794 HydrophobicContact CD-CB 4.44Å; K788-L794 HydrophobicContact CD-CD1 3.55Å; K788-L794 HydrophobicContact CD-CG 3.7Å; K788-L794 HydrophobicContact CG-CD1 4.12Å; L794-V796 HydrophobicContact CB-CG2 3.82Å; L794-V796 HydrophobicContact CD1-CG2 4.39Å; L794-T851 WeakPolarHBondContact CA-O 3.22Å; L794-P852 HydrophobicContact CD2-CB 4.29Å
795	Y	86.7	Confident	88.6	Confident	79 Å²	79	44.2 Å²	44.2	31%	0.31	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.4	153	-70.4	-63	0	0	0	107.1	A850 T851 I853 P859	Y795-A850 CarbonylContact O-C 3.58Å; Y795-A850 VanDerWaalsContact O-CA 3.24Å; Y795-A850 WeakPolarHBondContact O-CA 3.35Å; Y795-T851 HydrophobicContact CD2-CG2 4.25Å; Y795-T851 PolarHBondContact N-O 2.86Å; Y795-T851 PolarHBondContact O-N 2.71Å; Y795-I853 HydrophobicContact CD1-CD1 3.9Å; Y795-I853 HydrophobicContact CD1-CG1 4.25Å; Y795-I853 HydrophobicContact CD2-CB 4.4Å; Y795-I853 HydrophobicContact CD2-CD1 4.13Å; Y795-I853 HydrophobicContact CD2-CG1 3.59Å; Y795-I853 HydrophobicContact CE1-CD1 3.8Å; Y795-I853 HydrophobicContact CE1-CG1 4.33Å; Y795-I853 HydrophobicContact CE2-CB 4.15Å; Y795-I853 HydrophobicContact CE2-CD1 4.04Å; Y795-I853 HydrophobicContact CE2-CG1 3.68Å; Y795-I853 HydrophobicContact CE2-CG2 3.89Å; Y795-I853 HydrophobicContact CG-CD1 4.05Å; Y795-I853 HydrophobicContact CG-CG1 3.88Å; Y795-P859 HydrophobicContact CD2-CB 4.31Å; Y795-P859 HydrophobicContact CD2-CG 3.74Å; Y795-P859 HydrophobicContact CE2-CG 4.15Å; Y795-P859 HydrophobicContact CG-CG 4.44Å
796	V	90.3	Very high	88.3	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.6	174.5	-174.5	0	0	0	0	108	F786 L794 Q817 W819 L831 I848 Y849 A850	F786-V796 HydrophobicContact CE2-CG1 4.36Å; F786-V796 HydrophobicContact CZ-CG1 4.18Å; L794-V796 HydrophobicContact CB-CG2 3.82Å; L794-V796 HydrophobicContact CD1-CG2 4.39Å; V796-Q817 PolarHBondContact O-NE2 3.48Å; V796-Q817 PolarHBondContact O-OE1 3.21Å; V796-W819 HydrophobicContact CB-CZ2 4.08Å; V796-W819 HydrophobicContact CG2-CH2 4.09Å; V796-W819 HydrophobicContact CG2-CZ2 3.82Å; V796-L831 HydrophobicContact CB-CD2 3.92Å; V796-L831 HydrophobicContact CG1-CD2 3.66Å; V796-L831 HydrophobicContact CG2-CD2 4.48Å; V796-I848 HydrophobicContact CG1-CG2 3.91Å; V796-Y849 WeakPolarHBondContact CA-O 3.38Å; V796-A850 HydrophobicContact CG1-CB 4.42Å; V796-A850 HydrophobicContact CG2-CB 4.01Å
797	V	90.9	Very high	88.3	Confident	44 Å²	44	52.4 Å²	52.4	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.7	-178.6	-179.5	0	0	0	0	109.1	Y849 L862	V797-Y849 PolarHBondContact N-O 2.97Å; V797-Y849 PolarHBondContact O-N 2.83Å; V797-L862 HydrophobicContact CB-CD2 4.12Å; V797-L862 HydrophobicContact CG2-CD2 3.84Å
798	G	93.8	Very high	88.4	Confident	5 Å²	5	56.5 Å²	56.5	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.3	170.8	0	0	0	0	0	111	T812 L815 Y833 Y847	G798-T812 WeakPolarHBondContact O-CG2 3.35Å; G798-L815 WeakPolarHBondContact O-CD2 3.48Å; G798-Y833 WeakPolarHBondContact CA-OH 3.41Å; G798-Y833 PolarHBondContact N-OH 3.35Å; G798-Y847 CarbonylContact C-O 3.54Å; G798-Y847 VanDerWaalsContact CA-O 3.32Å; G798-Y847 WeakPolarHBondContact CA-O 3.15Å
799	Q	95.5	Very high	88.7	Confident	62 Å²	62	60.7 Å²	60.7	29%	0.29	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.2	168.4	-168.8	-171.4	12.7	0	0	108.8	V801 D810 T812 L846 Y847 Y849	Q799-V801 HydrophobicContact CG-CG2 3.92Å; Q799-D810 PolarHBondContact NE2-OD2 3.04Å; Q799-T812 WeakPolarHBondContact CG-OG1 3.26Å; Q799-L846 WeakPolarHBondContact O-CA 3.47Å; Q799-Y847 PolarHBondContact N-O 3.35Å; Q799-Y847 PolarHBondContact O-N 3.45Å; Q799-Y849 HydrophobicContact CB-CE2 4.03Å; Q799-Y849 PolarHBondContact OE1-OH 2.94Å
800	F	96.5	Very high	89.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124	-177	-174.1	-122.6	0	0	0	109.7	C811 T812 L815 I835 I837 P838 Y844 K845 L846 I870	F800-C811 HydrophobicContact CD1-CB 3.67Å; F800-C811 HydrophobicContact CE1-CB 4.13Å; F800-C811 CarbonylContact O-C 3.58Å; F800-C811 VanDerWaalsContact O-C 3.32Å; F800-C811 WeakPolarHBondContact O-CA 3.21Å; F800-C811 PolarHBondContact O-N 3.16Å; F800-T812 PolarHBondContact N-OG1 2.89Å; F800-T812 PolarHBondContact O-N 3.37Å; F800-T812 PolarHBondContact O-OG1 3.01Å; F800-L815 HydrophobicContact CB-CB 4.17Å; F800-L815 HydrophobicContact CB-CD2 4.37Å; F800-I835 HydrophobicContact CE1-CG2 3.95Å; F800-I835 HydrophobicContact CE2-CG2 4.08Å; F800-I835 HydrophobicContact CZ-CG2 3.72Å; F800-I837 HydrophobicContact CZ-CD1 4.08Å; F800-P838 HydrophobicContact CE1-CG 4.34Å; F800-Y844 AromaticContact CE1-CD1 3.82Å; F800-Y844 HydrophobicContact CE1-CD1 3.82Å; F800-Y844 HydrophobicContact CE1-CE1 4.29Å; F800-Y844 HydrophobicContact CE1-CG 4.19Å; F800-Y844 HydrophobicContact CE2-CD1 4.13Å; F800-Y844 AromaticContact CE2-CG 3.84Å; F800-Y844 HydrophobicContact CE2-CG 3.84Å; F800-Y844 AromaticContact CZ-CD1 3.55Å; F800-Y844 HydrophobicContact CZ-CD1 3.55Å; F800-Y844 HydrophobicContact CZ-CD2 4.09Å; F800-Y844 HydrophobicContact CZ-CE1 4.31Å; F800-Y844 AromaticContact CZ-CG 3.45Å; F800-Y844 HydrophobicContact CZ-CG 3.45Å; F800-Y844 VanDerWaalsContact CZ-CG 3.45Å; F800-K845 WeakPolarHBondContact CA-O 3.41Å; F800-K845 WeakPolarHBondContact CD2-O 3.41Å; F800-L846 HydrophobicContact CB-CD1 4.46Å; F800-L846 HydrophobicContact CD2-CB 4.24Å; F800-I870 HydrophobicContact CD2-CD1 4.44Å; F800-I870 HydrophobicContact CE2-CD1 3.8Å
801	V	95.6	Very high	90.2	Very high	6 Å²	6	59.3 Å²	59.3	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.7	-165.6	-176.9	0	0	0	0	110.7	Q799 I803 E808 E809 Y844 K845 Y847	Q799-V801 HydrophobicContact CG-CG2 3.92Å; V801-I803 HydrophobicContact CG1-CG2 4.25Å; V801-E808 HydrophobicContact CG1-CB 3.74Å; V801-E808 HydrophobicContact CG1-CG 4.47Å; V801-E809 WeakPolarHBondContact CA-O 3.47Å; V801-Y844 CarbonylContact O-C 3.57Å; V801-Y844 WeakPolarHBondContact O-CA 3.44Å; V801-K845 PolarHBondContact N-O 2.94Å; V801-K845 PolarHBondContact O-N 2.91Å; V801-Y847 HydrophobicContact CB-CE2 4.37Å; V801-Y847 HydrophobicContact CG2-CD2 4.04Å; V801-Y847 HydrophobicContact CG2-CE2 4.02Å
802	D	94.6	Very high	91.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.2	169.7	-165.7	-21.8	0	0	0	109.5	S804 E808 E809 K839 H842 Y844	D802-S804 WeakPolarHBondContact OD1-CB 3.31Å; D802-S804 PolarHBondContact OD1-N 3.36Å; D802-S804 PolarHBondContact OD1-OG 3.46Å; D802-E808 WeakPolarHBondContact O-CA 3.36Å; D802-E809 HydrophobicContact CB-CB 4.04Å; D802-E809 PolarHBondContact N-O 2.71Å; D802-E809 PolarHBondContact O-N 3.35Å; D802-E809 VanDerWaalsContact O-N 3.13Å; D802-K839 IonicContact OD2-NZ 2.97Å; D802-K839 PolarHBondContact OD2-NZ 3.47Å; D802-H842 VanDerWaalsContact CG-ND1 3.31Å; D802-H842 IonicContact OD1-CE1 3.95Å; D802-H842 IonicContact OD1-ND1 3.09Å; D802-H842 PolarHBondContact OD1-ND1 3.03Å; D802-H842 VanDerWaalsContact OD1-ND1 3.09Å; D802-H842 IonicContact OD2-CE1 3.38Å; D802-H842 PolarHBondContact OD2-CE1 3.46Å; D802-H842 IonicContact OD2-CG 3.96Å; D802-H842 IonicContact OD2-ND1 2.77Å; D802-H842 PolarHBondContact OD2-ND1 3.48Å; D802-Y844 HydrophobicContact CB-CD1 3.88Å; D802-Y844 HydrophobicContact CB-CE1 3.6Å
803	I	94.5	Very high	91.6	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.			trans	-117.3	16.3	-177.9	64.7	151.9	0	0	0	112.8	R689 V801 E808 F843 K845 L869	R689-I803 HydrophobicContact CB-CD1 4.43Å; R689-I803 PolarHBondContact NH1-O 2.8Å; V801-I803 HydrophobicContact CG1-CG2 4.25Å; I803-E808 HydrophobicContact CG2-CG 4.3Å; I803-F843 HydrophobicContact CD1-CB 4.06Å; I803-F843 HydrophobicContact CG1-CB 3.76Å; I803-F843 WeakPolarHBondContact CG1-O 3.37Å; I803-F843 PolarHBondContact N-O 3.4Å; I803-K845 HydrophobicContact CD1-CG 4.05Å; I803-K845 HydrophobicContact CG1-CG 4.42Å; I803-K845 HydrophobicContact CG2-CB 4.44Å; I803-K845 HydrophobicContact CG2-CD 3.88Å; I803-K845 HydrophobicContact CG2-CG 3.87Å; I803-L869 HydrophobicContact CD1-CD1 3.94Å
804	S	92.2	Very high	92	Very high	17 Å²	17	48.6 Å²	48.6	12%	0.119	25%	0.252	C	S	.	.	S	Bend	trans	-80.3	-35.4	-175.5	-44.6	0	0	0	0	112.7	S683 V686 D802 H842 F843	S683-S804 PolarHBondContact OG-O 3.29Å; V686-S804 WeakPolarHBondContact CG2-O 3.41Å; D802-S804 WeakPolarHBondContact OD1-CB 3.31Å; D802-S804 PolarHBondContact OD1-N 3.36Å; D802-S804 PolarHBondContact OD1-OG 3.46Å; S804-H842 WeakPolarHBondContact CB-ND1 3.27Å; S804-H842 VanDerWaalsContact OG-CA 3.29Å; S804-H842 WeakPolarHBondContact OG-CA 3.33Å; S804-H842 VanDerWaalsContact OG-CB 3.28Å; S804-H842 WeakPolarHBondContact OG-CB 3.05Å; S804-H842 VanDerWaalsContact OG-CG 3.24Å; S804-H842 PolarHBondContact OG-ND1 3.2Å; S804-H842 VanDerWaalsContact OG-ND1 3.13Å; S804-F843 PolarHBondContact OG-N 2.77Å; S804-F843 PolarHBondContact OG-O 3.36Å
805	T	89.9	Confident	92.3	Very high	51 Å²	51	48.9 Å²	48.9	31%	0.313	25%	0.253	S	S	.	.	S	Bend	trans	-90.6	160.8	-177.6	39.1	0	0	0	0	112.7	R689 E807	R689-T805 VanDerWaalsContact CZ-O 3.3Å; R689-T805 PolarHBondContact NH1-O 2.91Å; R689-T805 PolarHBondContact NH2-O 3.23Å; T805-E807 CarbonylContact C-O 3.56Å; T805-E807 WeakPolarHBondContact CB-O 3.39Å; T805-E807 PolarHBondContact O-N 3.16Å; T805-E807 PolarHBondContact OG1-O 3.29Å
806	P	87.8	Confident	92.5	Very high	104 Å²	104	46.6 Å²	46.6	68%	0.675	25%	0.247	S	C	*	.	S	Bend	trans	-55.8	-38.5	175.3	-24.3	33.6	0	0	0	113.3	P685 R689	P685-P806 HydrophobicContact CG-CB 4.23Å; P685-P806 HydrophobicContact CG-CG 4Å; R689-P806 PolarHBondContact NH2-O 2.99Å
807	E	91.3	Very high	92.5	Very high	163 Å²	163	49.4 Å²	49.4	76%	0.762	26%	0.259	S	S	*	.	S	Bend	trans	-88.5	140.5	169.6	-69.3	156.4	-150.7	0	0	109.2	T805	T805-E807 CarbonylContact C-O 3.56Å; T805-E807 WeakPolarHBondContact CB-O 3.39Å; T805-E807 PolarHBondContact O-N 3.16Å; T805-E807 PolarHBondContact OG1-O 3.29Å
808	E	92.1	Very high	92.3	Very high	90 Å²	90	50 Å²	50	42%	0.421	26%	0.259	S	S	.	.			trans	-86.1	132	173.7	-64.3	-167	173.1	0	0	109.4	R689 V801 D802 I803 K845	R689-E808 WeakPolarHBondContact CD-OE1 3.27Å; R689-E808 IonicContact CZ-OE1 3.63Å; R689-E808 IonicContact NE-OE1 2.74Å; R689-E808 PolarHBondContact NE-OE1 2.91Å; R689-E808 IonicContact NH2-OE1 3.79Å; V801-E808 HydrophobicContact CG1-CB 3.74Å; V801-E808 HydrophobicContact CG1-CG 4.47Å; D802-E808 WeakPolarHBondContact O-CA 3.36Å; I803-E808 HydrophobicContact CG2-CG 4.3Å; E808-K845 IonicContact OE1-NZ 3.44Å
809	E	93.3	Very high	91.9	Very high	92 Å²	92	54.1 Å²	54.1	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.3	-176	-172.9	-175	159.5	0	0	110.4	V801 D802 C811 K839	V801-E809 WeakPolarHBondContact CA-O 3.47Å; D802-E809 HydrophobicContact CB-CB 4.04Å; D802-E809 PolarHBondContact N-O 2.71Å; D802-E809 PolarHBondContact O-N 3.35Å; D802-E809 VanDerWaalsContact O-N 3.13Å; E809-C811 PolarHBondContact O-N 3.37Å; E809-C811 VanDerWaalsContact O-N 3.16Å; E809-C811 PolarHBondContact O-SG 3Å; E809-K839 IonicContact OE1-NZ 3.87Å; E809-K839 IonicContact OE2-NZ 2.63Å; E809-K839 PolarHBondContact OE2-NZ 3.31Å
810	D	93.3	Very high	91.3	Very high	83 Å²	83	53.8 Å²	53.8	44%	0.444	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	111.6	177.1	-164.9	-55.6	0	0	0	110.6	Q799 T812	Q799-D810 PolarHBondContact NE2-OD2 3.04Å; D810-T812 WeakPolarHBondContact OD1-CB 3.14Å; D810-T812 PolarHBondContact OD1-N 3.1Å; D810-T812 PolarHBondContact OD1-OG1 3.03Å
811	C	92.2	Very high	90.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	31%	0.312	C	S	.	.			trans	-106.3	18.9	-180	-66	0	0	0	0	111.7	F800 E809 N813 Y814 P838	F800-C811 HydrophobicContact CD1-CB 3.67Å; F800-C811 HydrophobicContact CE1-CB 4.13Å; F800-C811 CarbonylContact O-C 3.58Å; F800-C811 VanDerWaalsContact O-C 3.32Å; F800-C811 WeakPolarHBondContact O-CA 3.21Å; F800-C811 PolarHBondContact O-N 3.16Å; E809-C811 PolarHBondContact O-N 3.37Å; E809-C811 VanDerWaalsContact O-N 3.16Å; E809-C811 PolarHBondContact O-SG 3Å; C811-N813 PolarHBondContact O-N 2.83Å; C811-Y814 HydrophobicContact CB-CD2 4.08Å; C811-Y814 WeakPolarHBondContact O-CB 3.13Å; C811-Y814 WeakPolarHBondContact O-CD2 3.31Å; C811-Y814 PolarHBondContact O-N 2.93Å; C811-P838 HydrophobicContact CB-CG 4.12Å
812	T	93.6	Very high	88.8	Confident	38 Å²	38	64.5 Å²	64.5	23%	0.233	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.1	-174.1	-52.7	0	0	0	0	113	G798 Q799 F800 D810 Y814 L815	G798-T812 WeakPolarHBondContact O-CG2 3.35Å; Q799-T812 WeakPolarHBondContact CG-OG1 3.26Å; F800-T812 PolarHBondContact N-OG1 2.89Å; F800-T812 PolarHBondContact O-N 3.37Å; F800-T812 PolarHBondContact O-OG1 3.01Å; D810-T812 WeakPolarHBondContact OD1-CB 3.14Å; D810-T812 PolarHBondContact OD1-N 3.1Å; D810-T812 PolarHBondContact OD1-OG1 3.03Å; T812-Y814 PolarHBondContact O-N 3.45Å; T812-Y814 VanDerWaalsContact O-N 3.16Å; T812-L815 HydrophobicContact CG2-CD2 4.39Å; T812-L815 WeakPolarHBondContact O-CB 3.38Å; T812-L815 PolarHBondContact O-N 3.26Å
813	N	91	Very high	87.4	Confident	119 Å²	119	74 Å²	74	64%	0.636	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-64	-14.9	171	-59.1	-45.9	0	0	0	114	C811 P882 Y883	C811-N813 PolarHBondContact O-N 2.83Å; N813-P882 HydrophobicContact CB-CB 3.79Å; N813-P882 VanDerWaalsContact O-CB 3.27Å; N813-P882 WeakPolarHBondContact O-CB 3.35Å; N813-Y883 PolarHBondContact O-N 3.43Å
814	Y	91.1	Very high	86.3	Confident	43 Å²	43	78.2 Å²	78.2	17%	0.169	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-95.7	5	174.3	-61.8	-94	0	0	0	113.2	C811 T812 R836 P838 S879 E880 P882 Y883	C811-Y814 HydrophobicContact CB-CD2 4.08Å; C811-Y814 WeakPolarHBondContact O-CB 3.13Å; C811-Y814 WeakPolarHBondContact O-CD2 3.31Å; C811-Y814 PolarHBondContact O-N 2.93Å; T812-Y814 PolarHBondContact O-N 3.45Å; T812-Y814 VanDerWaalsContact O-N 3.16Å; Y814-R836 WeakPolarHBondContact CB-O 3.44Å; Y814-R836 HydrophobicContact CD1-CB 4.14Å; Y814-R836 PolarHBondContact O-N 3.32Å; Y814-P838 HydrophobicContact CD1-CB 4.46Å; Y814-P838 HydrophobicContact CD1-CG 4.02Å; Y814-P838 HydrophobicContact CD2-CB 4.38Å; Y814-P838 HydrophobicContact CD2-CG 3.68Å; Y814-P838 HydrophobicContact CE1-CB 4.22Å; Y814-P838 HydrophobicContact CE1-CG 4.25Å; Y814-P838 HydrophobicContact CE2-CB 4.13Å; Y814-P838 HydrophobicContact CE2-CG 3.91Å; Y814-P838 HydrophobicContact CG-CG 3.73Å; Y814-S879 VanDerWaalsContact CE1-O 3.26Å; Y814-S879 WeakPolarHBondContact CE1-O 3.44Å; Y814-E880 PolarHBondContact OH-O 3.46Å; Y814-P882 HydrophobicContact CD1-CB 4.01Å; Y814-P882 HydrophobicContact CD2-CB 4.23Å; Y814-P882 HydrophobicContact CE1-CB 3.93Å; Y814-P882 HydrophobicContact CE1-CG 4.42Å; Y814-P882 HydrophobicContact CE2-CB 4.18Å; Y814-P882 HydrophobicContact CG-CB 4.16Å; Y814-Y883 VanDerWaalsContact O-CE2 3.31Å; Y814-Y883 WeakPolarHBondContact O-CE2 3.25Å
815	L	92.2	Very high	84.9	Confident	20 Å²	20	83.2 Å²	83.2	11%	0.105	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.3	175.8	-176.2	69.9	0	0	0	109.6	G798 F800 T812 Y833 I835 L846	G798-L815 WeakPolarHBondContact O-CD2 3.48Å; F800-L815 HydrophobicContact CB-CB 4.17Å; F800-L815 HydrophobicContact CB-CD2 4.37Å; T812-L815 HydrophobicContact CG2-CD2 4.39Å; T812-L815 WeakPolarHBondContact O-CB 3.38Å; T812-L815 PolarHBondContact O-N 3.26Å; L815-Y833 HydrophobicContact CD1-CD1 3.52Å; L815-Y833 HydrophobicContact CD1-CE1 4.33Å; L815-Y833 HydrophobicContact CD1-CG 3.89Å; L815-Y833 HydrophobicContact CD2-CD1 3.93Å; L815-Y833 HydrophobicContact CD2-CE1 3.91Å; L815-Y833 HydrophobicContact CG-CD1 3.73Å; L815-Y833 HydrophobicContact CG-CE1 4.18Å; L815-I835 HydrophobicContact CD1-CD1 4.26Å; L815-I835 HydrophobicContact CD1-CG1 3.67Å; L815-L846 HydrophobicContact CD1-CD1 3.98Å; L815-L846 HydrophobicContact CD2-CD1 3.63Å; L815-L846 HydrophobicContact CG-CD1 4.48Å
816	L	90.4	Very high	83.8	Confident	32 Å²	32	88.2 Å²	88.2	17%	0.168	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.7	171.9	175.3	62.8	0	0	0	109.7	Y833 L834 Y883 V886	L816-Y833 WeakPolarHBondContact O-CA 3.44Å; L816-L834 HydrophobicContact CB-CB 4.26Å; L816-L834 HydrophobicContact CD2-CD1 4.1Å; L816-L834 PolarHBondContact N-O 2.92Å; L816-L834 PolarHBondContact O-N 2.96Å; L816-Y883 HydrophobicContact CB-CD1 4.09Å; L816-Y883 HydrophobicContact CB-CD2 3.56Å; L816-Y883 HydrophobicContact CB-CE1 4.04Å; L816-Y883 HydrophobicContact CB-CE2 3.49Å; L816-Y883 VanDerWaalsContact CB-CE2 3.49Å; L816-Y883 HydrophobicContact CB-CG 3.85Å; L816-Y883 HydrophobicContact CD2-CD1 3.86Å; L816-Y883 HydrophobicContact CD2-CE1 3.75Å; L816-Y883 HydrophobicContact CD2-CG 4.38Å; L816-V886 HydrophobicContact CD1-CG1 4.32Å; L816-V886 HydrophobicContact CD2-CG1 4.45Å
817	Q	91	Very high	83	Confident	67 Å²	67	88.9 Å²	88.9	31%	0.313	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.1	-179.2	-172.9	174.8	-17.9	0	0	110.3	V796 L831 Y833	V796-Q817 PolarHBondContact O-NE2 3.48Å; V796-Q817 PolarHBondContact O-OE1 3.21Å; Q817-L831 HydrophobicContact CG-CD1 3.54Å; Q817-L831 HydrophobicContact CG-CD2 4.44Å; Q817-L831 HydrophobicContact CG-CG 4.44Å; Q817-Y833 HydrophobicContact CB-CD1 3.93Å; Q817-Y833 HydrophobicContact CB-CE1 3.65Å; Q817-Y833 HydrophobicContact CG-CD1 4.09Å; Q817-Y833 HydrophobicContact CG-CE1 3.53Å
818	Q	87.4	Confident	82.4	Confident	56 Å²	56	84 Å²	84	26%	0.262	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	119.3	178.9	-178.1	-176.3	-16.3	0	0	110.8	L831 T832	Q818-L831 VanDerWaalsContact O-CD1 3.31Å; Q818-L831 WeakPolarHBondContact O-CD1 3.47Å; Q818-T832 HydrophobicContact CB-CG2 4.4Å; Q818-T832 PolarHBondContact N-O 3.42Å; Q818-T832 WeakPolarHBondContact O-CB 3.46Å; Q818-T832 PolarHBondContact O-N 3.41Å
819	W	85.2	Confident	82	Confident	93 Å²	93	83.2 Å²	83.2	35%	0.352	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.3	163.7	-69.7	95.4	0	0	0	109.8	K788 V796 E829 H830 L831	K788-W819 HydrophobicContact CB-CZ3 4.47Å; V796-W819 HydrophobicContact CB-CZ2 4.08Å; V796-W819 HydrophobicContact CG2-CH2 4.09Å; V796-W819 HydrophobicContact CG2-CZ2 3.82Å; W819-E829 HydrophobicContact CE3-CB 4.49Å; W819-E829 HydrophobicContact CZ3-CB 4.35Å; W819-H830 WeakPolarHBondContact CA-O 3.46Å; W819-L831 HydrophobicContact CD2-CB 4.19Å; W819-L831 HydrophobicContact CD2-CD1 3.78Å; W819-L831 HydrophobicContact CD2-CD2 4.4Å; W819-L831 HydrophobicContact CD2-CG 4.35Å; W819-L831 HydrophobicContact CE3-CB 3.88Å; W819-L831 HydrophobicContact CE3-CD1 4.33Å; W819-L831 HydrophobicContact CG-CD1 3.9Å; W819-L831 HydrophobicContact CH2-CB 4.16Å; W819-L831 HydrophobicContact CH2-CD2 3.97Å; W819-L831 HydrophobicContact CZ2-CB 4.45Å; W819-L831 HydrophobicContact CZ2-CD1 4.45Å; W819-L831 HydrophobicContact CZ2-CD2 3.61Å; W819-L831 HydrophobicContact CZ2-CG 4.4Å; W819-L831 HydrophobicContact CZ3-CB 3.86Å; W819-L831 HydrophobicContact CZ3-CD2 4.49Å
820	E	81.9	Confident	81.8	Confident	55 Å²	55	81.1 Å²	81.1	26%	0.257	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.2	171	-66.1	166.6	-161.1	0	0	106.7	K783 H830 T832	K783-E820 IonicContact NZ-OE1 3.37Å; K783-E820 PolarHBondContact NZ-OE1 2.98Å; E820-H830 HydrophobicContact CB-CB 4.21Å; E820-H830 PolarHBondContact N-O 3.18Å; E820-H830 PolarHBondContact O-N 2.67Å; E820-T832 PolarHBondContact OE1-OG1 3.23Å
821	E	71.5	Confident	81.7	Confident	180 Å²	180	77.1 Å²	77.1	84%	0.841	40%	0.395	S	S	*	.			trans	-70.3	138.3	175.5	-73.7	-171.6	163.6	0	0	110.2	E823	E821-E823 PolarHBondContact O-N 3.09Å
822	P	68.3	Low	81.7	Confident	50 Å²	50	77.1 Å²	77.1	33%	0.325	40%	0.395	S	S	.	.			trans	-69.8	124.6	-178.2	26	-32.7	0	0	0	111.9	V824 M827 E829	P822-V824 PolarHBondContact O-N 3.23Å; P822-V824 VanDerWaalsContact O-N 3.08Å; P822-M827 HydrophobicContact CB-CB 3.75Å; P822-M827 WeakPolarHBondContact CB-O 3.38Å; P822-E829 HydrophobicContact CG-CG 4.38Å
823	E	66.4	Low	81.7	Confident	201 Å²	201	75.3 Å²	75.3	94%	0.939	38%	0.383	S	S	*	.	S	Bend	trans	-59.5	-20.8	176.7	-62.7	-177.3	171.2	0	0	113.6	E821	E821-E823 PolarHBondContact O-N 3.09Å
824	V	70.7	Confident	81.7	Confident	88 Å²	88	70.1 Å²	70.1	53%	0.533	36%	0.356	S	S	.	.	S	Bend	trans	-132	133	-178.5	-173.8	0	0	0	0	109	P822 N826 M827	P822-V824 PolarHBondContact O-N 3.23Å; P822-V824 VanDerWaalsContact O-N 3.08Å; V824-N826 PolarHBondContact O-N 2.73Å; V824-M827 HydrophobicContact CB-CG 4.03Å; V824-M827 WeakPolarHBondContact O-CB 3.33Å; V824-M827 PolarHBondContact O-N 3.03Å
825	S	63.4	Low	81.8	Confident	121 Å²	121	68 Å²	68	85%	0.846	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-7.9	-172.3	-45.5	0	0	0	0	116.8
826	N	66.4	Low	81.6	Confident	157 Å²	157	67.9 Å²	67.9	84%	0.84	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	3.1	176.4	-76	6.3	0	0	0	113.6	V824	V824-N826 PolarHBondContact O-N 2.73Å
827	M	69.9	Low	81.6	Confident	118 Å²	118	66.3 Å²	66.3	58%	0.581	34%	0.337	S	S	*	.	S	Bend	trans	-93.3	143.1	178.9	-64.2	-71.6	-80.8	0	0	110.6	P822 V824	P822-M827 HydrophobicContact CB-CB 3.75Å; P822-M827 WeakPolarHBondContact CB-O 3.38Å; V824-M827 HydrophobicContact CB-CG 4.03Å; V824-M827 WeakPolarHBondContact O-CB 3.33Å; V824-M827 PolarHBondContact O-N 3.03Å
828	N	79.6	Confident	81.4	Confident	61 Å²	61	63.5 Å²	63.5	33%	0.326	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65.1	141.5	176.8	-64.2	-27.5	0	0	0	110.6	K788 H830	K788-N828 WeakPolarHBondContact O-CB 3.47Å; N828-H830 PolarHBondContact O-CE1 3.34Å; N828-H830 PolarHBondContact O-ND1 2.79Å; N828-H830 VanDerWaalsContact O-ND1 3.09Å
829	E	84.3	Confident	81.5	Confident	72 Å²	72	63.6 Å²	63.6	34%	0.336	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	147.5	169.8	-71.7	166.9	-128.6	0	0	109.9	S787 K788 W819 P822	S787-E829 CarbonylContact C-O 3.59Å; S787-E829 VanDerWaalsContact CA-O 3.23Å; S787-E829 WeakPolarHBondContact CA-O 3.45Å; K788-E829 HydrophobicContact CB-CB 4.41Å; K788-E829 WeakPolarHBondContact CE-OE1 3.08Å; K788-E829 WeakPolarHBondContact CE-OE2 3.46Å; K788-E829 PolarHBondContact N-O 3.27Å; K788-E829 IonicContact NZ-OE1 2.65Å; K788-E829 PolarHBondContact NZ-OE1 2.9Å; K788-E829 IonicContact NZ-OE2 2.66Å; K788-E829 PolarHBondContact NZ-OE2 2.91Å; K788-E829 PolarHBondContact O-N 2.72Å; W819-E829 HydrophobicContact CE3-CB 4.49Å; W819-E829 HydrophobicContact CZ3-CB 4.35Å; P822-E829 HydrophobicContact CG-CG 4.38Å
830	H	88.3	Confident	81.5	Confident	48 Å²	48	60 Å²	60	22%	0.222	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.8	179.1	-63.8	-8.6	0	0	0	110.6	L710 W819 E820 N828	L710-H830 HydrophobicContact CD1-CB 4.27Å; W819-H830 WeakPolarHBondContact CA-O 3.46Å; E820-H830 HydrophobicContact CB-CB 4.21Å; E820-H830 PolarHBondContact N-O 3.18Å; E820-H830 PolarHBondContact O-N 2.67Å; N828-H830 PolarHBondContact O-CE1 3.34Å; N828-H830 PolarHBondContact O-ND1 2.79Å; N828-H830 VanDerWaalsContact O-ND1 3.09Å
831	L	90.5	Very high	81.8	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.7	171.4	-175.5	49.1	0	0	0	109.6	R785 F786 V796 Q817 Q818 W819 Y833	R785-L831 VanDerWaalsContact CA-O 3.31Å; R785-L831 WeakPolarHBondContact CA-O 3.39Å; F786-L831 HydrophobicContact CD2-CB 4.12Å; F786-L831 HydrophobicContact CE1-CB 4.48Å; F786-L831 HydrophobicContact CE1-CD2 4.41Å; F786-L831 HydrophobicContact CE1-CG 4.32Å; F786-L831 HydrophobicContact CE2-CB 3.76Å; F786-L831 HydrophobicContact CE2-CD2 3.63Å; F786-L831 HydrophobicContact CE2-CG 4Å; F786-L831 HydrophobicContact CZ-CB 3.96Å; F786-L831 HydrophobicContact CZ-CD2 3.42Å; F786-L831 VanDerWaalsContact CZ-CD2 3.42Å; F786-L831 HydrophobicContact CZ-CG 3.74Å; F786-L831 PolarHBondContact N-O 3.33Å; F786-L831 PolarHBondContact O-N 3.17Å; V796-L831 HydrophobicContact CB-CD2 3.92Å; V796-L831 HydrophobicContact CG1-CD2 3.66Å; V796-L831 HydrophobicContact CG2-CD2 4.48Å; Q817-L831 HydrophobicContact CG-CD1 3.54Å; Q817-L831 HydrophobicContact CG-CD2 4.44Å; Q817-L831 HydrophobicContact CG-CG 4.44Å; Q818-L831 VanDerWaalsContact O-CD1 3.31Å; Q818-L831 WeakPolarHBondContact O-CD1 3.47Å; W819-L831 HydrophobicContact CD2-CB 4.19Å; W819-L831 HydrophobicContact CD2-CD1 3.78Å; W819-L831 HydrophobicContact CD2-CD2 4.4Å; W819-L831 HydrophobicContact CD2-CG 4.35Å; W819-L831 HydrophobicContact CE3-CB 3.88Å; W819-L831 HydrophobicContact CE3-CD1 4.33Å; W819-L831 HydrophobicContact CG-CD1 3.9Å; W819-L831 HydrophobicContact CH2-CB 4.16Å; W819-L831 HydrophobicContact CH2-CD2 3.97Å; W819-L831 HydrophobicContact CZ2-CB 4.45Å; W819-L831 HydrophobicContact CZ2-CD1 4.45Å; W819-L831 HydrophobicContact CZ2-CD2 3.61Å; W819-L831 HydrophobicContact CZ2-CG 4.4Å; W819-L831 HydrophobicContact CZ3-CB 3.86Å; W819-L831 HydrophobicContact CZ3-CD2 4.49Å; L831-Y833 HydrophobicContact CD2-CE2 4.47Å
832	T	92.5	Very high	82.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	131.1	176.7	-81	0	0	0	0	109.1	K783 I784 R785 Q818 E820 L834	K783-T832 HydrophobicContact CD-CG2 4.28Å; K783-T832 VanDerWaalsContact CE-OG1 3.26Å; K783-T832 WeakPolarHBondContact CE-OG1 3.25Å; K783-T832 HydrophobicContact CG-CG2 4.1Å; I784-T832 CarbonylContact O-C 3.32Å; I784-T832 WeakPolarHBondContact O-CA 3.5Å; R785-T832 WeakPolarHBondContact CG-OG1 3.43Å; Q818-T832 HydrophobicContact CB-CG2 4.4Å; Q818-T832 PolarHBondContact N-O 3.42Å; Q818-T832 WeakPolarHBondContact O-CB 3.46Å; Q818-T832 PolarHBondContact O-N 3.41Å; E820-T832 PolarHBondContact OE1-OG1 3.23Å; T832-L834 HydrophobicContact CG2-CD2 3.76Å; T832-L834 HydrophobicContact CG2-CG 3.81Å
833	Y	93.7	Very high	84	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	128.7	158.6	-72.8	-68.8	0	0	0	109.9	K783 I784 F786 G798 L815 L816 Q817 L831 L846 I848	K783-Y833 WeakPolarHBondContact CA-O 3.32Å; I784-Y833 PolarHBondContact N-O 3.35Å; I784-Y833 PolarHBondContact O-N 3.41Å; F786-Y833 AromaticContact CE1-CD2 3.78Å; F786-Y833 HydrophobicContact CE1-CD2 3.78Å; F786-Y833 AromaticContact CE1-CE2 3.54Å; F786-Y833 HydrophobicContact CE1-CE2 3.54Å; F786-Y833 HydrophobicContact CZ-CD2 4.38Å; F786-Y833 AromaticContact CZ-CE2 3.71Å; F786-Y833 HydrophobicContact CZ-CE2 3.71Å; G798-Y833 WeakPolarHBondContact CA-OH 3.41Å; G798-Y833 PolarHBondContact N-OH 3.35Å; L815-Y833 HydrophobicContact CD1-CD1 3.52Å; L815-Y833 HydrophobicContact CD1-CE1 4.33Å; L815-Y833 HydrophobicContact CD1-CG 3.89Å; L815-Y833 HydrophobicContact CD2-CD1 3.93Å; L815-Y833 HydrophobicContact CD2-CE1 3.91Å; L815-Y833 HydrophobicContact CG-CD1 3.73Å; L815-Y833 HydrophobicContact CG-CE1 4.18Å; L816-Y833 WeakPolarHBondContact O-CA 3.44Å; Q817-Y833 HydrophobicContact CB-CD1 3.93Å; Q817-Y833 HydrophobicContact CB-CE1 3.65Å; Q817-Y833 HydrophobicContact CG-CD1 4.09Å; Q817-Y833 HydrophobicContact CG-CE1 3.53Å; L831-Y833 HydrophobicContact CD2-CE2 4.47Å; Y833-L846 HydrophobicContact CD2-CD2 4.32Å; Y833-I848 HydrophobicContact CD2-CD1 4.05Å; Y833-I848 HydrophobicContact CE2-CD1 3.34Å; Y833-I848 HydrophobicContact CE2-CG1 4.45Å
834	L	91.7	Very high	85.4	Confident	10 Å²	10	45 Å²	45	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.6	172	-58.6	172.6	0	0	0	107.6	R778 C780 K783 L816 T832 Y883	R778-L834 HydrophobicContact CB-CD1 4.32Å; C780-L834 HydrophobicContact CB-CB 3.92Å; C780-L834 HydrophobicContact CB-CD2 4.39Å; K783-L834 HydrophobicContact CB-CD2 4.31Å; K783-L834 HydrophobicContact CD-CD2 4.05Å; K783-L834 HydrophobicContact CG-CD2 3.87Å; L816-L834 HydrophobicContact CB-CB 4.26Å; L816-L834 HydrophobicContact CD2-CD1 4.1Å; L816-L834 PolarHBondContact N-O 2.92Å; L816-L834 PolarHBondContact O-N 2.96Å; T832-L834 HydrophobicContact CG2-CD2 3.76Å; T832-L834 HydrophobicContact CG2-CG 3.81Å; L834-Y883 WeakPolarHBondContact CB-OH 3.39Å; L834-Y883 WeakPolarHBondContact O-CE2 3.3Å; L834-Y883 PolarHBondContact O-OH 2.88Å
835	I	92	Very high	86.6	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.5	-171.7	-54.2	173.4	0	0	0	109.2	C780 D781 L782 I784 F800 L815 I837 L846 I870	C780-I835 WeakPolarHBondContact CB-O 3.14Å; D781-I835 PolarHBondContact N-O 2.89Å; L782-I835 HydrophobicContact CB-CB 4.26Å; L782-I835 HydrophobicContact CD2-CD1 4.05Å; L782-I835 HydrophobicContact CG-CD1 4.31Å; L782-I835 PolarHBondContact N-O 3.19Å; L782-I835 PolarHBondContact O-N 3.13Å; I784-I835 HydrophobicContact CD1-CD1 3.72Å; I784-I835 HydrophobicContact CG1-CD1 4.21Å; F800-I835 HydrophobicContact CE1-CG2 3.95Å; F800-I835 HydrophobicContact CE2-CG2 4.08Å; F800-I835 HydrophobicContact CZ-CG2 3.72Å; L815-I835 HydrophobicContact CD1-CD1 4.26Å; L815-I835 HydrophobicContact CD1-CG1 3.67Å; I835-I837 HydrophobicContact CG2-CD1 4Å; I835-L846 HydrophobicContact CD1-CD2 4.08Å; I835-I870 HydrophobicContact CD1-CD1 3.81Å
836	R	89.4	Confident	88.3	Confident	16 Å²	16	36 Å²	36	6%	0.06	18%	0.184	C	C	.	.			trans	-97.2	137.2	164.2	-72.1	177.4	178	-170	-3.1	108.1	S779 Y814 P838 I881 Y883	S779-R836 PolarHBondContact O-NE 3.31Å; S779-R836 PolarHBondContact OG-NH2 3.45Å; S779-R836 VanDerWaalsContact OG-NH2 3.1Å; Y814-R836 WeakPolarHBondContact CB-O 3.44Å; Y814-R836 HydrophobicContact CD1-CB 4.14Å; Y814-R836 PolarHBondContact O-N 3.32Å; R836-P838 WeakPolarHBondContact O-CD 3.39Å; R836-I881 VanDerWaalsContact CD-O 3.23Å; R836-I881 WeakPolarHBondContact CD-O 3.38Å; R836-I881 PolarHBondContact NH1-O 2.92Å; R836-Y883 HydrophobicContact CG-CE1 4.49Å; R836-Y883 HydrophobicContact CG-CE2 3.97Å
837	I	89.9	Confident	89.7	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.			trans	-95.7	107.7	-175.3	-66.9	-63.5	0	0	0	110	V719 D781 F800 I835 K839 Y844 I870 A872 S879	V719-I837 HydrophobicContact CG1-CG1 4.15Å; V719-I837 HydrophobicContact CG2-CD1 3.86Å; V719-I837 HydrophobicContact CG2-CG1 4.01Å; D781-I837 HydrophobicContact CB-CB 4.31Å; D781-I837 HydrophobicContact CB-CG1 3.73Å; D781-I837 PolarHBondContact OD2-N 3.47Å; F800-I837 HydrophobicContact CZ-CD1 4.08Å; I835-I837 HydrophobicContact CG2-CD1 4Å; I837-K839 VanDerWaalsContact CG2-O 3.24Å; I837-K839 WeakPolarHBondContact CG2-O 3.24Å; I837-K839 PolarHBondContact O-N 3.1Å; I837-Y844 HydrophobicContact CG2-CE2 4.2Å; I837-I870 HydrophobicContact CD1-CG2 4Å; I837-A872 HydrophobicContact CG2-CB 3.52Å; I837-S879 PolarHBondContact N-OG 3.08Å; I837-S879 PolarHBondContact O-N 3.16Å; I837-S879 PolarHBondContact O-OG 3.36Å
838	P	87.6	Confident	90.9	Very high	7 Å²	7	24.8 Å²	24.8	5%	0.045	12%	0.123	C	C	.	.	S	Bend	trans	-61.3	-42	-170.6	-21.6	31.4	0	0	0	113	F800 C811 Y814 R836 Y844 S878	F800-P838 HydrophobicContact CE1-CG 4.34Å; C811-P838 HydrophobicContact CB-CG 4.12Å; Y814-P838 HydrophobicContact CD1-CB 4.46Å; Y814-P838 HydrophobicContact CD1-CG 4.02Å; Y814-P838 HydrophobicContact CD2-CB 4.38Å; Y814-P838 HydrophobicContact CD2-CG 3.68Å; Y814-P838 HydrophobicContact CE1-CB 4.22Å; Y814-P838 HydrophobicContact CE1-CG 4.25Å; Y814-P838 HydrophobicContact CE2-CB 4.13Å; Y814-P838 HydrophobicContact CE2-CG 3.91Å; Y814-P838 HydrophobicContact CG-CG 3.73Å; R836-P838 WeakPolarHBondContact O-CD 3.39Å; P838-Y844 HydrophobicContact CG-CE1 4.07Å; P838-S878 WeakPolarHBondContact O-CB 3.49Å
839	K	87.6	Confident	91.6	Very high	58 Å²	58	24.4 Å²	24.4	25%	0.252	12%	0.118	S	C	.	.	S	Bend	trans	-136.9	144.6	-175.6	-52.4	163.9	-162.1	153.3	0	109.2	D802 E809 I837 H842 Y844 A872	D802-K839 IonicContact OD2-NZ 2.97Å; D802-K839 PolarHBondContact OD2-NZ 3.47Å; E809-K839 IonicContact OE1-NZ 3.87Å; E809-K839 IonicContact OE2-NZ 2.63Å; E809-K839 PolarHBondContact OE2-NZ 3.31Å; I837-K839 VanDerWaalsContact CG2-O 3.24Å; I837-K839 WeakPolarHBondContact CG2-O 3.24Å; I837-K839 PolarHBondContact O-N 3.1Å; K839-H842 HydrophobicContact CB-CB 4.4Å; K839-H842 WeakPolarHBondContact CD-CE1 3.47Å; K839-Y844 WeakPolarHBondContact CB-OH 3.34Å; K839-Y844 PolarHBondContact N-OH 3Å; K839-Y844 PolarHBondContact O-OH 3.02Å; K839-A872 WeakPolarHBondContact O-CB 3.4Å
840	G	87	Confident	92	Very high	17 Å²	17	21 Å²	21	18%	0.175	10%	0.102	C	C	.	.	S	Bend	trans	-83.4	165.5	168.9	0	0	0	0	0	111.7	H842 P873	G840-H842 PolarHBondContact O-CD2 3.46Å; G840-H842 PolarHBondContact O-N 3.13Å; G840-P873 CarbonylContact C-O 3.59Å; G840-P873 WeakPolarHBondContact CA-O 3.48Å
841	D	87.5	Confident	92.1	Very high	120 Å²	120	19.6 Å²	19.6	64%	0.642	10%	0.097	S	C	*	.	S	Bend	trans	59.7	32.3	-178.2	-157.8	38.7	0	0	0	113.5	A872 P873 P874	D841-A872 WeakPolarHBondContact CA-O 3.32Å; D841-A872 PolarHBondContact N-O 2.78Å; D841-A872 VanDerWaalsContact N-O 3.1Å; D841-P873 PolarHBondContact N-O 2.84Å; D841-P874 HydrophobicContact CB-CB 4.44Å; D841-P874 HydrophobicContact CB-CG 4.27Å
842	H	92	Very high	92	Very high	38 Å²	38	21.3 Å²	21.3	18%	0.176	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.2	-172.4	-89.8	-126.9	0	0	0	111.4	D802 S804 K839 G840 Y844 A872	D802-H842 VanDerWaalsContact CG-ND1 3.31Å; D802-H842 IonicContact OD1-CE1 3.95Å; D802-H842 IonicContact OD1-ND1 3.09Å; D802-H842 PolarHBondContact OD1-ND1 3.03Å; D802-H842 VanDerWaalsContact OD1-ND1 3.09Å; D802-H842 IonicContact OD2-CE1 3.38Å; D802-H842 PolarHBondContact OD2-CE1 3.46Å; D802-H842 IonicContact OD2-CG 3.96Å; D802-H842 IonicContact OD2-ND1 2.77Å; D802-H842 PolarHBondContact OD2-ND1 3.48Å; S804-H842 WeakPolarHBondContact CB-ND1 3.27Å; S804-H842 VanDerWaalsContact OG-CA 3.29Å; S804-H842 WeakPolarHBondContact OG-CA 3.33Å; S804-H842 VanDerWaalsContact OG-CB 3.28Å; S804-H842 WeakPolarHBondContact OG-CB 3.05Å; S804-H842 VanDerWaalsContact OG-CG 3.24Å; S804-H842 PolarHBondContact OG-ND1 3.2Å; S804-H842 VanDerWaalsContact OG-ND1 3.13Å; K839-H842 HydrophobicContact CB-CB 4.4Å; K839-H842 WeakPolarHBondContact CD-CE1 3.47Å; G840-H842 PolarHBondContact O-CD2 3.46Å; G840-H842 PolarHBondContact O-N 3.13Å; H842-Y844 HydrophobicContact CB-CD2 4.42Å; H842-Y844 HydrophobicContact CB-CE2 3.59Å; H842-A872 WeakPolarHBondContact O-CB 3.48Å; H842-A872 PolarHBondContact O-N 3.47Å
843	F	94.7	Very high	91.6	Very high	13 Å²	13	23.3 Å²	23.3	6%	0.057	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.6	172.3	-69.5	-92.7	0	0	0	109.7	Y642 L682 V686 L690 I803 S804 L869 E871	Y642-F843 HydrophobicContact CE1-CE1 4.48Å; Y642-F843 HydrophobicContact CE1-CZ 4.29Å; L682-F843 HydrophobicContact CD2-CE2 3.63Å; L682-F843 HydrophobicContact CD2-CZ 3.88Å; V686-F843 HydrophobicContact CG1-CD2 3.81Å; V686-F843 HydrophobicContact CG1-CE2 4.06Å; V686-F843 HydrophobicContact CG1-CG 4.3Å; V686-F843 HydrophobicContact CG2-CD2 4.4Å; L690-F843 HydrophobicContact CD2-CD1 4.41Å; I803-F843 HydrophobicContact CD1-CB 4.06Å; I803-F843 HydrophobicContact CG1-CB 3.76Å; I803-F843 WeakPolarHBondContact CG1-O 3.37Å; I803-F843 PolarHBondContact N-O 3.4Å; S804-F843 PolarHBondContact OG-N 2.77Å; S804-F843 PolarHBondContact OG-O 3.36Å; F843-L869 HydrophobicContact CB-CD1 4.23Å; F843-L869 HydrophobicContact CD1-CD1 3.96Å; F843-L869 HydrophobicContact CD1-CD2 4.29Å; F843-L869 HydrophobicContact CD1-CG 4.33Å; F843-E871 HydrophobicContact CD1-CB 4.15Å; F843-E871 HydrophobicContact CD1-CG 4.19Å; F843-E871 HydrophobicContact CE1-CB 3.91Å; F843-E871 HydrophobicContact CE1-CG 3.62Å; F843-E871 HydrophobicContact CZ-CG 3.88Å; F843-E871 VanDerWaalsContact CZ-OE1 3.31Å; F843-E871 WeakPolarHBondContact CZ-OE1 3.29Å
844	Y	95.7	Very high	90.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150	177.7	-61.2	-89.6	0	0	0	110.9	F800 V801 D802 I837 P838 K839 H842 I870 A872	F800-Y844 AromaticContact CE1-CD1 3.82Å; F800-Y844 HydrophobicContact CE1-CD1 3.82Å; F800-Y844 HydrophobicContact CE1-CE1 4.29Å; F800-Y844 HydrophobicContact CE1-CG 4.19Å; F800-Y844 HydrophobicContact CE2-CD1 4.13Å; F800-Y844 AromaticContact CE2-CG 3.84Å; F800-Y844 HydrophobicContact CE2-CG 3.84Å; F800-Y844 AromaticContact CZ-CD1 3.55Å; F800-Y844 HydrophobicContact CZ-CD1 3.55Å; F800-Y844 HydrophobicContact CZ-CD2 4.09Å; F800-Y844 HydrophobicContact CZ-CE1 4.31Å; F800-Y844 AromaticContact CZ-CG 3.45Å; F800-Y844 HydrophobicContact CZ-CG 3.45Å; F800-Y844 VanDerWaalsContact CZ-CG 3.45Å; V801-Y844 CarbonylContact O-C 3.57Å; V801-Y844 WeakPolarHBondContact O-CA 3.44Å; D802-Y844 HydrophobicContact CB-CD1 3.88Å; D802-Y844 HydrophobicContact CB-CE1 3.6Å; I837-Y844 HydrophobicContact CG2-CE2 4.2Å; P838-Y844 HydrophobicContact CG-CE1 4.07Å; K839-Y844 WeakPolarHBondContact CB-OH 3.34Å; K839-Y844 PolarHBondContact N-OH 3Å; K839-Y844 PolarHBondContact O-OH 3.02Å; H842-Y844 HydrophobicContact CB-CD2 4.42Å; H842-Y844 HydrophobicContact CB-CE2 3.59Å; Y844-I870 PolarHBondContact N-O 2.91Å; Y844-I870 PolarHBondContact O-N 2.92Å; Y844-A872 HydrophobicContact CD2-CB 4.38Å; Y844-A872 HydrophobicContact CE2-CB 3.97Å
845	K	96.2	Very high	89.7	Confident	21 Å²	21	34.9 Å²	34.9	9%	0.091	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.1	163.9	-68.4	177.3	-174.2	154.7	0	110	M693 F800 V801 I803 E808 Y847 Y868	M693-K845 HydrophobicContact SD-CD 4.18Å; M693-K845 WeakPolarHBondContact SD-CE 3.3Å; M693-K845 HydrophobicContact SD-CG 4.15Å; F800-K845 WeakPolarHBondContact CA-O 3.41Å; F800-K845 WeakPolarHBondContact CD2-O 3.41Å; V801-K845 PolarHBondContact N-O 2.94Å; V801-K845 PolarHBondContact O-N 2.91Å; I803-K845 HydrophobicContact CD1-CG 4.05Å; I803-K845 HydrophobicContact CG1-CG 4.42Å; I803-K845 HydrophobicContact CG2-CB 4.44Å; I803-K845 HydrophobicContact CG2-CD 3.88Å; I803-K845 HydrophobicContact CG2-CG 3.87Å; E808-K845 IonicContact OE1-NZ 3.44Å; K845-Y847 HydrophobicContact CB-CD2 4.27Å; K845-Y847 HydrophobicContact CB-CE2 3.95Å; K845-Y847 HydrophobicContact CD-CE1 3.92Å; K845-Y847 HydrophobicContact CD-CE2 3.83Å; K845-Y847 WeakPolarHBondContact CD-OH 3.45Å; K845-Y847 PolarHBondContact NZ-OH 2.93Å; K845-Y868 VanDerWaalsContact CA-O 3.32Å; K845-Y868 WeakPolarHBondContact CA-O 3.25Å
846	L	97.2	Very high	88.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.6	161	173.5	64.9	0	0	0	108.1	I784 Q799 F800 L815 Y833 I835 I848 Y868 I870	I784-L846 HydrophobicContact CD1-CD2 3.74Å; Q799-L846 WeakPolarHBondContact O-CA 3.47Å; F800-L846 HydrophobicContact CB-CD1 4.46Å; F800-L846 HydrophobicContact CD2-CB 4.24Å; L815-L846 HydrophobicContact CD1-CD1 3.98Å; L815-L846 HydrophobicContact CD2-CD1 3.63Å; L815-L846 HydrophobicContact CG-CD1 4.48Å; Y833-L846 HydrophobicContact CD2-CD2 4.32Å; I835-L846 HydrophobicContact CD1-CD2 4.08Å; L846-I848 HydrophobicContact CD1-CD1 3.85Å; L846-I848 HydrophobicContact CD2-CD1 3.9Å; L846-I848 HydrophobicContact CG-CD1 3.63Å; L846-I848 HydrophobicContact CG-CG1 4.44Å; L846-Y868 HydrophobicContact CD2-CD2 4.27Å; L846-Y868 PolarHBondContact N-O 3.22Å; L846-Y868 VanDerWaalsContact N-O 3.08Å; L846-Y868 PolarHBondContact O-N 3.46Å; L846-I870 HydrophobicContact CB-CD1 3.99Å
847	Y	96.8	Very high	87.3	Confident	40 Å²	40	47.9 Å²	47.9	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.4	174.1	-65.6	-69.6	0	0	0	109.2	G798 Q799 V801 K845 Y849 L864 T867	G798-Y847 CarbonylContact C-O 3.54Å; G798-Y847 VanDerWaalsContact CA-O 3.32Å; G798-Y847 WeakPolarHBondContact CA-O 3.15Å; Q799-Y847 PolarHBondContact N-O 3.35Å; Q799-Y847 PolarHBondContact O-N 3.45Å; V801-Y847 HydrophobicContact CB-CE2 4.37Å; V801-Y847 HydrophobicContact CG2-CD2 4.04Å; V801-Y847 HydrophobicContact CG2-CE2 4.02Å; K845-Y847 HydrophobicContact CB-CD2 4.27Å; K845-Y847 HydrophobicContact CB-CE2 3.95Å; K845-Y847 HydrophobicContact CD-CE1 3.92Å; K845-Y847 HydrophobicContact CD-CE2 3.83Å; K845-Y847 WeakPolarHBondContact CD-OH 3.45Å; K845-Y847 PolarHBondContact NZ-OH 2.93Å; Y847-Y849 HydrophobicContact CG-CE2 4.49Å; Y847-L864 HydrophobicContact CD1-CD1 3.71Å; Y847-L864 HydrophobicContact CD1-CD2 3.99Å; Y847-L864 HydrophobicContact CE1-CD2 4.35Å; Y847-L864 HydrophobicContact CG-CD1 4.13Å; Y847-T867 HydrophobicContact CD1-CG2 3.87Å; Y847-T867 HydrophobicContact CE1-CG2 3.96Å
848	I	95.6	Very high	86.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120	174.7	-52.9	-52.6	0	0	0	108.7	F786 V796 Y833 L846 V865 Y866	F786-I848 HydrophobicContact CZ-CG2 4.3Å; V796-I848 HydrophobicContact CG1-CG2 3.91Å; Y833-I848 HydrophobicContact CD2-CD1 4.05Å; Y833-I848 HydrophobicContact CE2-CD1 3.34Å; Y833-I848 HydrophobicContact CE2-CG1 4.45Å; L846-I848 HydrophobicContact CD1-CD1 3.85Å; L846-I848 HydrophobicContact CD2-CD1 3.9Å; L846-I848 HydrophobicContact CG-CD1 3.63Å; L846-I848 HydrophobicContact CG-CG1 4.44Å; I848-V865 HydrophobicContact CB-CG2 4.46Å; I848-V865 HydrophobicContact CG2-CG2 4.04Å; I848-V865 VanDerWaalsContact O-CG2 3.28Å; I848-V865 WeakPolarHBondContact O-CG2 3.49Å; I848-V865 PolarHBondContact O-N 2.96Å; I848-Y866 PolarHBondContact N-O 2.63Å; I848-Y866 PolarHBondContact O-N 2.91Å
849	Y	94.6	Very high	85.3	Confident	53 Å²	53	55.2 Å²	55.2	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.6	174.4	-51.1	-102.6	0	0	0	109.9	V796 V797 Q799 Y847 L862 P863 L864	V796-Y849 WeakPolarHBondContact CA-O 3.38Å; V797-Y849 PolarHBondContact N-O 2.97Å; V797-Y849 PolarHBondContact O-N 2.83Å; Q799-Y849 HydrophobicContact CB-CE2 4.03Å; Q799-Y849 PolarHBondContact OE1-OH 2.94Å; Y847-Y849 HydrophobicContact CG-CE2 4.49Å; Y849-L862 WeakPolarHBondContact CD1-O 3.5Å; Y849-P863 CarbonylContact C-O 3.56Å; Y849-P863 WeakPolarHBondContact CA-O 3.39Å; Y849-P863 WeakPolarHBondContact CB-O 3.33Å; Y849-L864 HydrophobicContact CD1-CB 3.8Å; Y849-L864 HydrophobicContact CD1-CD1 4.03Å; Y849-L864 HydrophobicContact CD2-CD1 4.34Å; Y849-L864 HydrophobicContact CE1-CB 3.73Å; Y849-L864 HydrophobicContact CE1-CD1 3.77Å; Y849-L864 HydrophobicContact CE1-CG 4.32Å; Y849-L864 HydrophobicContact CE2-CD1 4.1Å; Y849-L864 HydrophobicContact CG-CD1 4.29Å
850	A	92.1	Very high	84.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.7	-178.7	0	0	0	0	0	113.3	L705 L707 Y795 V796 P863 V865	L705-A850 HydrophobicContact CD1-CB 3.53Å; L707-A850 HydrophobicContact CD1-CB 4.13Å; Y795-A850 CarbonylContact O-C 3.58Å; Y795-A850 VanDerWaalsContact O-CA 3.24Å; Y795-A850 WeakPolarHBondContact O-CA 3.35Å; V796-A850 HydrophobicContact CG1-CB 4.42Å; V796-A850 HydrophobicContact CG2-CB 4.01Å; A850-P863 PolarHBondContact N-O 3.41Å; A850-P863 VanDerWaalsContact N-O 3.08Å; A850-P863 WeakPolarHBondContact O-CD 3.44Å; A850-P863 WeakPolarHBondContact O-CG 3.33Å; A850-V865 HydrophobicContact CB-CG1 4.09Å; A850-V865 HydrophobicContact CB-CG2 3.69Å
851	T	90.8	Very high	84.5	Confident	19 Å²	19	65 Å²	65	12%	0.117	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.1	-179.5	-167.3	0	0	0	0	110.5	L794 Y795 P859 S861 L862	L794-T851 WeakPolarHBondContact CA-O 3.22Å; Y795-T851 HydrophobicContact CD2-CG2 4.25Å; Y795-T851 PolarHBondContact N-O 2.86Å; Y795-T851 PolarHBondContact O-N 2.71Å; T851-P859 HydrophobicContact CG2-CB 3.46Å; T851-P859 VanDerWaalsContact CG2-CB 3.46Å; T851-P859 HydrophobicContact CG2-CG 3.73Å; T851-S861 PolarHBondContact OG1-O 3.22Å; T851-L862 HydrophobicContact CG2-CD1 3.53Å
852	P	87.9	Confident	84.5	Confident	35 Å²	35	62.4 Å²	62.4	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.8	179.7	28.4	-35.3	0	0	0	112.9	Q792 L794 N854	Q792-P852 VanDerWaalsContact CD-CB 3.4Å; Q792-P852 HydrophobicContact CG-CB 4.06Å; L794-P852 HydrophobicContact CD2-CB 4.29Å; P852-N854 PolarHBondContact O-N 3.28Å
853	I	83.5	Confident	84.5	Confident	43 Å²	43	62.7 Å²	62.7	22%	0.221	33%	0.329	C	S	.	.			trans	-81.9	104.4	173.9	-49.7	-168	0	0	0	109.2	K793 Y795	K793-I853 HydrophobicContact CB-CB 4.09Å; K793-I853 HydrophobicContact CB-CD1 4.01Å; K793-I853 HydrophobicContact CB-CG1 4.08Å; K793-I853 PolarHBondContact O-N 3.3Å; Y795-I853 HydrophobicContact CD1-CD1 3.9Å; Y795-I853 HydrophobicContact CD1-CG1 4.25Å; Y795-I853 HydrophobicContact CD2-CB 4.4Å; Y795-I853 HydrophobicContact CD2-CD1 4.13Å; Y795-I853 HydrophobicContact CD2-CG1 3.59Å; Y795-I853 HydrophobicContact CE1-CD1 3.8Å; Y795-I853 HydrophobicContact CE1-CG1 4.33Å; Y795-I853 HydrophobicContact CE2-CB 4.15Å; Y795-I853 HydrophobicContact CE2-CD1 4.04Å; Y795-I853 HydrophobicContact CE2-CG1 3.68Å; Y795-I853 HydrophobicContact CE2-CG2 3.89Å; Y795-I853 HydrophobicContact CG-CD1 4.05Å; Y795-I853 HydrophobicContact CG-CG1 3.88Å
854	N	76.9	Confident	84.5	Confident	101 Å²	101	64.2 Å²	64.2	54%	0.54	34%	0.338	S	S	.	.			trans	-101.3	122.7	173.8	-63.5	-28.1	0	0	0	109.6	P852 N856 E857	P852-N854 PolarHBondContact O-N 3.28Å; N854-N856 VanDerWaalsContact C-N 3.28Å; N854-N856 PolarHBondContact O-N 3.29Å; N854-E857 PolarHBondContact O-N 2.65Å
855	N	68.1	Low	84.5	Confident	152 Å²	152	64.2 Å²	64.2	81%	0.813	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	31	168.8	-64.1	-9.1	0	0	0	117.9	E857	N855-E857 PolarHBondContact O-N 2.82Å
856	N	63.7	Low	84.5	Confident	152 Å²	152	63.4 Å²	63.4	81%	0.813	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	14.5	-178.7	-65.2	-15.3	0	0	0	115.6	N854	N854-N856 VanDerWaalsContact C-N 3.28Å; N854-N856 PolarHBondContact O-N 3.29Å
857	E	68.1	Low	84.5	Confident	136 Å²	136	63.6 Å²	63.6	64%	0.636	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-79.6	151.6	171.2	-66	-177.9	175.6	0	0	110.6	N854 N855	N854-E857 PolarHBondContact O-N 2.65Å; N855-E857 PolarHBondContact O-N 2.82Å
858	L	66.8	Low	84.5	Confident	118 Å²	118	61.8 Å²	61.8	62%	0.618	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-64.5	133.5	167.7	-92.5	150.9	0	0	0	108.4	Q860	L858-Q860 PolarHBondContact O-N 3.29Å
859	P	69.2	Low	84.5	Confident	44 Å²	44	61.8 Å²	61.8	29%	0.286	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-67.9	130.5	-175.4	28.2	-33.4	0	0	0	110.6	Y795 T851 S861	Y795-P859 HydrophobicContact CD2-CB 4.31Å; Y795-P859 HydrophobicContact CD2-CG 3.74Å; Y795-P859 HydrophobicContact CE2-CG 4.15Å; Y795-P859 HydrophobicContact CG-CG 4.44Å; T851-P859 HydrophobicContact CG2-CB 3.46Å; T851-P859 VanDerWaalsContact CG2-CB 3.46Å; T851-P859 HydrophobicContact CG2-CG 3.73Å; P859-S861 PolarHBondContact O-N 3.45Å
860	Q	74	Confident	84.6	Confident	197 Å²	197	59.2 Å²	59.2	92%	0.921	32%	0.318	S	S	*	.	S	Bend	trans	-63.2	-23.8	179.9	-65.4	-178.4	1.5	0	0	113.3	L858	L858-Q860 PolarHBondContact O-N 3.29Å
861	S	82.7	Confident	84.7	Confident	82 Å²	82	61 Å²	61	57%	0.573	33%	0.326	S	S	*	.			trans	-148.8	149.1	171.2	63	0	0	0	0	110.6	T851 P859	T851-S861 PolarHBondContact OG1-O 3.22Å; P859-S861 PolarHBondContact O-N 3.45Å
862	L	88.4	Confident	84.7	Confident	66 Å²	66	60.1 Å²	60.1	35%	0.346	32%	0.321	S	S	.	.			trans	-124	87.3	179.9	-174.7	62.1	0	0	0	107.3	V797 Y849 T851	V797-L862 HydrophobicContact CB-CD2 4.12Å; V797-L862 HydrophobicContact CG2-CD2 3.84Å; Y849-L862 WeakPolarHBondContact CD1-O 3.5Å; T851-L862 HydrophobicContact CG2-CD1 3.53Å
863	P	92.1	Very high	84.5	Confident	44 Å²	44	59.4 Å²	59.4	29%	0.286	32%	0.317	S	S	.	.			trans	-74.5	148.6	-172	30.9	-34.5	0	0	0	111.8	Y849 A850 V865	Y849-P863 CarbonylContact C-O 3.56Å; Y849-P863 WeakPolarHBondContact CA-O 3.39Å; Y849-P863 WeakPolarHBondContact CB-O 3.33Å; A850-P863 PolarHBondContact N-O 3.41Å; A850-P863 VanDerWaalsContact N-O 3.08Å; A850-P863 WeakPolarHBondContact O-CD 3.44Å; A850-P863 WeakPolarHBondContact O-CG 3.33Å; P863-V865 PolarHBondContact O-N 3.45Å
864	L	94.7	Very high	84.4	Confident	46 Å²	46	62 Å²	62	24%	0.241	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.1	174.5	-178.8	70.9	0	0	0	109	Q698 Y847 Y849	Q698-L864 WeakPolarHBondContact CB-O 3.44Å; Q698-L864 HydrophobicContact CG-CD2 3.9Å; Q698-L864 HydrophobicContact CG-CG 3.83Å; Y847-L864 HydrophobicContact CD1-CD1 3.71Å; Y847-L864 HydrophobicContact CD1-CD2 3.99Å; Y847-L864 HydrophobicContact CE1-CD2 4.35Å; Y847-L864 HydrophobicContact CG-CD1 4.13Å; Y849-L864 HydrophobicContact CD1-CB 3.8Å; Y849-L864 HydrophobicContact CD1-CD1 4.03Å; Y849-L864 HydrophobicContact CD2-CD1 4.34Å; Y849-L864 HydrophobicContact CE1-CB 3.73Å; Y849-L864 HydrophobicContact CE1-CD1 3.77Å; Y849-L864 HydrophobicContact CE1-CG 4.32Å; Y849-L864 HydrophobicContact CE2-CD1 4.1Å; Y849-L864 HydrophobicContact CG-CD1 4.29Å
865	V	94.7	Very high	84.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-26.5	-176.8	-62.3	0	0	0	0	113.3	P697 Q698 T701 W702 L705 L707 I848 A850 P863	P697-V865 WeakPolarHBondContact CA-O 3.38Å; Q698-V865 PolarHBondContact N-O 3.49Å; T701-V865 HydrophobicContact CG2-CG1 3.81Å; W702-V865 HydrophobicContact CB-CB 4.49Å; W702-V865 HydrophobicContact CE3-CB 4.25Å; W702-V865 HydrophobicContact CE3-CG2 3.89Å; W702-V865 HydrophobicContact CZ3-CG2 4.33Å; L705-V865 HydrophobicContact CD1-CG1 4.11Å; L707-V865 HydrophobicContact CD1-CG2 4.28Å; I848-V865 HydrophobicContact CB-CG2 4.46Å; I848-V865 HydrophobicContact CG2-CG2 4.04Å; I848-V865 VanDerWaalsContact O-CG2 3.28Å; I848-V865 WeakPolarHBondContact O-CG2 3.49Å; I848-V865 PolarHBondContact O-N 2.96Å; A850-V865 HydrophobicContact CB-CG1 4.09Å; A850-V865 HydrophobicContact CB-CG2 3.69Å; P863-V865 PolarHBondContact O-N 3.45Å
866	Y	95.8	Very high	84.1	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	145.1	-179.2	-158	-78	0	0	0	111.9	G696 P697 W702 L709 P715 I848 Y868	G696-Y866 WeakPolarHBondContact O-CA 3.49Å; P697-Y866 HydrophobicContact CB-CD2 4.33Å; P697-Y866 VanDerWaalsContact CD-CE2 3.43Å; P697-Y866 HydrophobicContact CG-CD2 3.88Å; P697-Y866 HydrophobicContact CG-CE2 3.71Å; W702-Y866 AromaticContact CD2-CD2 3.8Å; W702-Y866 HydrophobicContact CD2-CD2 3.8Å; W702-Y866 AromaticContact CE2-CD2 3.9Å; W702-Y866 AromaticContact CE3-CD2 3.78Å; W702-Y866 HydrophobicContact CE3-CD2 3.78Å; W702-Y866 HydrophobicContact CE3-CG 4.18Å; W702-Y866 HydrophobicContact CG-CD2 4.49Å; W702-Y866 AromaticContact CH2-CD2 3.98Å; W702-Y866 HydrophobicContact CH2-CD2 3.98Å; W702-Y866 HydrophobicContact CH2-CG 4.4Å; W702-Y866 HydrophobicContact CZ2-CD2 4Å; W702-Y866 HydrophobicContact CZ2-CE2 4.31Å; W702-Y866 AromaticContact CZ3-CD2 3.86Å; W702-Y866 HydrophobicContact CZ3-CD2 3.86Å; W702-Y866 HydrophobicContact CZ3-CG 4.05Å; L709-Y866 HydrophobicContact CD1-CE2 4.16Å; L709-Y866 WeakPolarHBondContact CD1-OH 3.44Å; L709-Y866 HydrophobicContact CD2-CE2 3.82Å; L709-Y866 HydrophobicContact CG-CE2 4.41Å; P715-Y866 HydrophobicContact CB-CE1 4.01Å; I848-Y866 PolarHBondContact N-O 2.63Å; I848-Y866 PolarHBondContact O-N 2.91Å; Y866-Y868 AromaticContact CD1-CD2 3.59Å; Y866-Y868 HydrophobicContact CD1-CD2 3.59Å; Y866-Y868 AromaticContact CD1-CE2 3.41Å; Y866-Y868 HydrophobicContact CD1-CE2 3.41Å; Y866-Y868 VanDerWaalsContact CD1-CE2 3.41Å; Y866-Y868 HydrophobicContact CD1-CG 4.27Å; Y866-Y868 AromaticContact CD1-CZ 3.97Å; Y866-Y868 AromaticContact CE1-CD1 3.97Å; Y866-Y868 HydrophobicContact CE1-CD1 3.97Å; Y866-Y868 AromaticContact CE1-CD2 3.62Å; Y866-Y868 HydrophobicContact CE1-CD2 3.62Å; Y866-Y868 AromaticContact CE1-CE1 3.72Å; Y866-Y868 HydrophobicContact CE1-CE1 3.72Å; Y866-Y868 AromaticContact CE1-CE2 3.34Å; Y866-Y868 HydrophobicContact CE1-CE2 3.34Å; Y866-Y868 AromaticContact CE1-CG 3.92Å; Y866-Y868 HydrophobicContact CE1-CG 3.92Å; Y866-Y868 AromaticContact CE1-CZ 3.4Å; Y866-Y868 HydrophobicContact CG-CE2 4.44Å
867	T	97	Very high	83.8	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.7	174.3	-51.3	0	0	0	0	111.3	L695 G696 Q698 Y847	L695-T867 HydrophobicContact CD2-CG2 4.16Å; G696-T867 PolarHBondContact N-O 3.17Å; G696-T867 PolarHBondContact O-N 3.19Å; Q698-T867 PolarHBondContact NE2-OG1 2.92Å; Y847-T867 HydrophobicContact CD1-CG2 3.87Å; Y847-T867 HydrophobicContact CE1-CG2 3.96Å
868	Y	96.8	Very high	83.3	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.1	166.8	-68.7	-92.8	0	0	0	111.5	L709 H712 P715 I717 I784 K845 L846 Y866	L709-Y868 VanDerWaalsContact CD2-OH 3.26Å; L709-Y868 WeakPolarHBondContact CD2-OH 3.39Å; H712-Y868 HydrophobicContact CB-CE1 4.41Å; P715-Y868 HydrophobicContact CB-CD1 4.29Å; P715-Y868 CarbonylContact O-C 3.55Å; P715-Y868 VanDerWaalsContact O-CA 3.3Å; P715-Y868 WeakPolarHBondContact O-CA 3.46Å; I717-Y868 HydrophobicContact CD1-CD1 3.55Å; I717-Y868 HydrophobicContact CD1-CE1 3.83Å; I717-Y868 HydrophobicContact CD1-CG 4.39Å; I717-Y868 HydrophobicContact CG1-CD1 4.09Å; I784-Y868 HydrophobicContact CD1-CD1 4.46Å; I784-Y868 HydrophobicContact CD1-CD2 4.44Å; I784-Y868 HydrophobicContact CD1-CG 4.38Å; I784-Y868 HydrophobicContact CG2-CE1 4.42Å; I784-Y868 HydrophobicContact CG2-CE2 3.98Å; K845-Y868 VanDerWaalsContact CA-O 3.32Å; K845-Y868 WeakPolarHBondContact CA-O 3.25Å; L846-Y868 HydrophobicContact CD2-CD2 4.27Å; L846-Y868 PolarHBondContact N-O 3.22Å; L846-Y868 VanDerWaalsContact N-O 3.08Å; L846-Y868 PolarHBondContact O-N 3.46Å; Y866-Y868 AromaticContact CD1-CD2 3.59Å; Y866-Y868 HydrophobicContact CD1-CD2 3.59Å; Y866-Y868 AromaticContact CD1-CE2 3.41Å; Y866-Y868 HydrophobicContact CD1-CE2 3.41Å; Y866-Y868 VanDerWaalsContact CD1-CE2 3.41Å; Y866-Y868 HydrophobicContact CD1-CG 4.27Å; Y866-Y868 AromaticContact CD1-CZ 3.97Å; Y866-Y868 AromaticContact CE1-CD1 3.97Å; Y866-Y868 HydrophobicContact CE1-CD1 3.97Å; Y866-Y868 AromaticContact CE1-CD2 3.62Å; Y866-Y868 HydrophobicContact CE1-CD2 3.62Å; Y866-Y868 AromaticContact CE1-CE1 3.72Å; Y866-Y868 HydrophobicContact CE1-CE1 3.72Å; Y866-Y868 AromaticContact CE1-CE2 3.34Å; Y866-Y868 HydrophobicContact CE1-CE2 3.34Å; Y866-Y868 AromaticContact CE1-CG 3.92Å; Y866-Y868 HydrophobicContact CE1-CG 3.92Å; Y866-Y868 AromaticContact CE1-CZ 3.4Å; Y866-Y868 HydrophobicContact CG-CE2 4.44Å
869	L	97.2	Very high	83.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.4	159.1	178.5	64.1	0	0	0	108.3	L610 L690 M693 L695 P715 L716 I717 I803 F843	L610-L869 HydrophobicContact CD2-CD2 3.72Å; L690-L869 HydrophobicContact CD2-CD1 4.03Å; L690-L869 HydrophobicContact CD2-CD2 3.56Å; L690-L869 HydrophobicContact CD2-CG 4.46Å; M693-L869 HydrophobicContact CE-CB 3.95Å; M693-L869 HydrophobicContact CE-CD1 3.75Å; M693-L869 HydrophobicContact CE-CD2 3.62Å; M693-L869 HydrophobicContact CE-CG 3.97Å; M693-L869 HydrophobicContact SD-CD1 4.45Å; L695-L869 HydrophobicContact CD1-CB 3.84Å; L695-L869 HydrophobicContact CD1-CD2 4.47Å; L695-L869 HydrophobicContact CD2-CB 3.85Å; P715-L869 PolarHBondContact O-N 2.95Å; L716-L869 CarbonylContact C-O 3.44Å; L716-L869 WeakPolarHBondContact CA-O 3.29Å; L716-L869 HydrophobicContact CD1-CB 4.22Å; L716-L869 HydrophobicContact CD1-CD2 3.78Å; L716-L869 HydrophobicContact CD1-CG 3.9Å; I717-L869 PolarHBondContact N-O 3.41Å; I803-L869 HydrophobicContact CD1-CD1 3.94Å; F843-L869 HydrophobicContact CB-CD1 4.23Å; F843-L869 HydrophobicContact CD1-CD1 3.96Å; F843-L869 HydrophobicContact CD1-CD2 4.29Å; F843-L869 HydrophobicContact CD1-CG 4.33Å
870	I	96	Very high	82.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.7	178.1	-65.8	159.4	0	0	0	107.8	I717 V719 L782 I784 F800 I835 I837 Y844 L846	I717-I870 HydrophobicContact CB-CG1 4.28Å; I717-I870 CarbonylContact O-C 3.58Å; I717-I870 WeakPolarHBondContact O-CA 3.48Å; V719-I870 HydrophobicContact CG2-CG2 3.47Å; V719-I870 VanDerWaalsContact CG2-CG2 3.47Å; L782-I870 HydrophobicContact CD2-CD1 4.01Å; L782-I870 HydrophobicContact CD2-CG1 4.05Å; L782-I870 HydrophobicContact CD2-CG2 3.98Å; I784-I870 HydrophobicContact CD1-CD1 4.16Å; F800-I870 HydrophobicContact CD2-CD1 4.44Å; F800-I870 HydrophobicContact CE2-CD1 3.8Å; I835-I870 HydrophobicContact CD1-CD1 3.81Å; I837-I870 HydrophobicContact CD1-CG2 4Å; Y844-I870 PolarHBondContact N-O 2.91Å; Y844-I870 PolarHBondContact O-N 2.92Å; L846-I870 HydrophobicContact CB-CD1 3.99Å
871	E	93.8	Very high	82.8	Confident	36 Å²	36	51.4 Å²	51.4	17%	0.168	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.4	176.2	-176.1	176.6	-154	0	0	109.4	L716 I717 H718 V719 F843	L716-E871 HydrophobicContact CD1-CB 4.4Å; I717-E871 PolarHBondContact O-N 2.84Å; H718-E871 IonicContact CE1-OE2 3.63Å; H718-E871 PolarHBondContact CE1-OE2 3.42Å; H718-E871 IonicContact CG-OE2 3.87Å; H718-E871 IonicContact ND1-OE2 3.87Å; H718-E871 PolarHBondContact ND1-OE2 3.04Å; V719-E871 PolarHBondContact N-O 2.84Å; F843-E871 HydrophobicContact CD1-CB 4.15Å; F843-E871 HydrophobicContact CD1-CG 4.19Å; F843-E871 HydrophobicContact CE1-CB 3.91Å; F843-E871 HydrophobicContact CE1-CG 3.62Å; F843-E871 HydrophobicContact CZ-CG 3.88Å; F843-E871 VanDerWaalsContact CZ-OE1 3.31Å; F843-E871 WeakPolarHBondContact CZ-OE1 3.29Å
872	A	91.1	Very high	82.7	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.6	177.5	0	0	0	0	0	110.4	I837 K839 D841 H842 Y844	I837-A872 HydrophobicContact CG2-CB 3.52Å; K839-A872 WeakPolarHBondContact O-CB 3.4Å; D841-A872 WeakPolarHBondContact CA-O 3.32Å; D841-A872 PolarHBondContact N-O 2.78Å; D841-A872 VanDerWaalsContact N-O 3.1Å; H842-A872 WeakPolarHBondContact O-CB 3.48Å; H842-A872 PolarHBondContact O-N 3.47Å; Y844-A872 HydrophobicContact CD2-CB 4.38Å; Y844-A872 HydrophobicContact CE2-CB 3.97Å
873	P	84.6	Confident	82.3	Confident	20 Å²	20	47.1 Å²	47.1	13%	0.13	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-64.9	159.9	176.8	29.5	-36.4	0	0	0	110.8	V719 T721 G840 D841 R875	V719-P873 WeakPolarHBondContact O-CD 3.46Å; T721-P873 HydrophobicContact CG2-CB 4.35Å; T721-P873 HydrophobicContact CG2-CG 4.43Å; G840-P873 CarbonylContact C-O 3.59Å; G840-P873 WeakPolarHBondContact CA-O 3.48Å; D841-P873 PolarHBondContact N-O 2.84Å; P873-R875 PolarHBondContact O-N 3.05Å
874	P	81.1	Confident	81	Confident	97 Å²	97	51.4 Å²	51.4	63%	0.63	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-55.2	130	167.8	-24.9	34.6	0	0	0	111	D841	D841-P874 HydrophobicContact CB-CB 4.44Å; D841-P874 HydrophobicContact CB-CG 4.27Å
875	R	73.7	Confident	79.1	Confident	73 Å²	73	52.4 Å²	52.4	28%	0.275	29%	0.29	S	S	.	.			trans	-132.3	143.5	-179.8	-71.4	175.8	171.9	-155.9	-6.3	109.9	D781 P873	D781-R875 IonicContact OD1-CZ 3.18Å; D781-R875 IonicContact OD1-NH1 2.7Å; D781-R875 PolarHBondContact OD1-NH1 3.24Å; D781-R875 IonicContact OD1-NH2 2.74Å; D781-R875 PolarHBondContact OD1-NH2 2.87Å; D781-R875 IonicContact OD2-NH1 3.43Å; D781-R875 PolarHBondContact OD2-NH1 2.88Å; P873-R875 PolarHBondContact O-N 3.05Å
876	I	64.8	Low	76.8	Confident	168 Å²	168	55.3 Å²	55.3	86%	0.862	31%	0.307	S	S	*	.	S	Bend	trans	-74.9	-29.9	177.3	-59.6	173.6	0	0	0	111.2
877	M	58.3	Low	73.8	Confident	136 Å²	136	64.2 Å²	64.2	67%	0.67	35%	0.346	S	S	*	.	S	Bend	trans	-128.9	133	177.7	-61.2	-64.6	178.9	0	0	109.8
878	S	57.4	Low	70.6	Confident	48 Å²	48	75.2 Å²	75.2	34%	0.336	39%	0.388	S	S	.	.			trans	-72.3	146.3	169.9	17.2	0	0	0	0	110.7	P838 E880	P838-S878 WeakPolarHBondContact O-CB 3.49Å; S878-E880 VanDerWaalsContact C-N 3.3Å; S878-E880 PolarHBondContact O-N 3.48Å; S878-E880 VanDerWaalsContact O-N 3.15Å; S878-E880 WeakPolarHBondContact OG-CG 3.37Å; S878-E880 PolarHBondContact OG-OE1 3.37Å
879	S	61.1	Low	67.7	Low	29 Å²	29	79.1 Å²	79.1	20%	0.203	43%	0.428	C	S	.	.			trans	-83.9	81.5	163	78.1	0	0	0	0	108.2	Y814 I837 I881	Y814-S879 VanDerWaalsContact CE1-O 3.26Å; Y814-S879 WeakPolarHBondContact CE1-O 3.44Å; I837-S879 PolarHBondContact N-OG 3.08Å; I837-S879 PolarHBondContact O-N 3.16Å; I837-S879 PolarHBondContact O-OG 3.36Å; S879-I881 PolarHBondContact O-N 3.48Å; S879-I881 VanDerWaalsContact O-N 3.12Å
880	E	60.9	Low	64.5	Low	140 Å²	140	82.9 Å²	82.9	65%	0.654	46%	0.459	S	S	*	.			trans	-72.8	-0.6	-173.5	-59.5	-171.7	169.9	0	0	114.1	Y814 S878 P882	Y814-E880 PolarHBondContact OH-O 3.46Å; S878-E880 VanDerWaalsContact C-N 3.3Å; S878-E880 PolarHBondContact O-N 3.48Å; S878-E880 VanDerWaalsContact O-N 3.15Å; S878-E880 WeakPolarHBondContact OG-CG 3.37Å; S878-E880 PolarHBondContact OG-OE1 3.37Å; E880-P882 WeakPolarHBondContact O-CD 2.97Å
881	I	76.7	Confident	61.5	Low	84 Å²	84	89 Å²	89	43%	0.431	49%	0.486	S	S	.	.			trans	-101.4	99	-174.4	-52.6	177.1	0	0	0	109.6	R836 S879	R836-I881 VanDerWaalsContact CD-O 3.23Å; R836-I881 WeakPolarHBondContact CD-O 3.38Å; R836-I881 PolarHBondContact NH1-O 2.92Å; S879-I881 PolarHBondContact O-N 3.48Å; S879-I881 VanDerWaalsContact O-N 3.12Å
882	P	79.8	Confident	58.9	Low	28 Å²	28	91.3 Å²	91.3	18%	0.182	50%	0.504	C	S	.	.			trans	-62.7	170.9	169.3	27.3	-34.3	0	0	0	111.1	N813 Y814 E880 I884	N813-P882 HydrophobicContact CB-CB 3.79Å; N813-P882 VanDerWaalsContact O-CB 3.27Å; N813-P882 WeakPolarHBondContact O-CB 3.35Å; Y814-P882 HydrophobicContact CD1-CB 4.01Å; Y814-P882 HydrophobicContact CD2-CB 4.23Å; Y814-P882 HydrophobicContact CE1-CB 3.93Å; Y814-P882 HydrophobicContact CE1-CG 4.42Å; Y814-P882 HydrophobicContact CE2-CB 4.18Å; Y814-P882 HydrophobicContact CG-CB 4.16Å; E880-P882 WeakPolarHBondContact O-CD 2.97Å; P882-I884 HydrophobicContact CG-CD1 4.5Å; P882-I884 HydrophobicContact CG-CG1 4.12Å; P882-I884 PolarHBondContact O-N 3.03Å
883	Y	80.4	Confident	56.5	Low	29 Å²	29	97.3 Å²	97.3	11%	0.114	53%	0.532	C	S	.	.			trans	-73.1	89.9	173.5	-68.4	-76	0	0	0	110.4	P777 S779 N813 Y814 L816 L834 R836 V886	P777-Y883 WeakPolarHBondContact O-CE1 3.48Å; S779-Y883 PolarHBondContact O-OH 3.49Å; N813-Y883 PolarHBondContact O-N 3.43Å; Y814-Y883 VanDerWaalsContact O-CE2 3.31Å; Y814-Y883 WeakPolarHBondContact O-CE2 3.25Å; L816-Y883 HydrophobicContact CB-CD1 4.09Å; L816-Y883 HydrophobicContact CB-CD2 3.56Å; L816-Y883 HydrophobicContact CB-CE1 4.04Å; L816-Y883 HydrophobicContact CB-CE2 3.49Å; L816-Y883 VanDerWaalsContact CB-CE2 3.49Å; L816-Y883 HydrophobicContact CB-CG 3.85Å; L816-Y883 HydrophobicContact CD2-CD1 3.86Å; L816-Y883 HydrophobicContact CD2-CE1 3.75Å; L816-Y883 HydrophobicContact CD2-CG 4.38Å; L834-Y883 WeakPolarHBondContact CB-OH 3.39Å; L834-Y883 WeakPolarHBondContact O-CE2 3.3Å; L834-Y883 PolarHBondContact O-OH 2.88Å; R836-Y883 HydrophobicContact CG-CE1 4.49Å; R836-Y883 HydrophobicContact CG-CE2 3.97Å; Y883-V886 HydrophobicContact CD1-CG2 4.42Å
884	I	65.2	Low	54.2	Low	135 Å²	135	103.9 Å²	103.9	69%	0.692	56%	0.558	S	S	*	*			trans	-83.7	126.3	177	-57.8	173.3	0	0	0	109.4	P882 V886	P882-I884 HydrophobicContact CG-CD1 4.5Å; P882-I884 HydrophobicContact CG-CG1 4.12Å; P882-I884 PolarHBondContact O-N 3.03Å; I884-V886 VanDerWaalsContact C-N 3.31Å; I884-V886 PolarHBondContact O-N 3.38Å; I884-V886 VanDerWaalsContact O-N 3.16Å
885	G	55.2	Low	52.2	Low	66 Å²	66	102.7 Å²	102.7	68%	0.68	55%	0.546	S	S	*	.	S	Bend	trans	72.6	7.9	161.6	0	0	0	0	0	117.5	K887	G885-K887 VanDerWaalsContact C-N 3.29Å; G885-K887 PolarHBondContact O-N 3.18Å
886	V	45.2	Very low	50.7	Low	61 Å²	61	104.7 Å²	104.7	37%	0.37	56%	0.558	S	S	.	*			trans	-68.9	82.9	176.5	-170.6	0	0	0	0	110.5	L816 Y883 I884 W888	L816-V886 HydrophobicContact CD1-CG1 4.32Å; L816-V886 HydrophobicContact CD2-CG1 4.45Å; Y883-V886 HydrophobicContact CD1-CG2 4.42Å; I884-V886 VanDerWaalsContact C-N 3.31Å; I884-V886 PolarHBondContact O-N 3.38Å; I884-V886 VanDerWaalsContact O-N 3.16Å; V886-W888 PolarHBondContact O-N 3.16Å; V886-W888 VanDerWaalsContact O-N 3.09Å
887	K	33.7	Very low	49.7	Very low	192 Å²	192	103.6 Å²	103.6	84%	0.835	55%	0.55	S	S	*	.			trans	-74.7	94.3	-178.7	-75	-175.5	178.3	178	0	112.4	G885	G885-K887 VanDerWaalsContact C-N 3.29Å; G885-K887 PolarHBondContact O-N 3.18Å
888	W	30.4	Very low	49	Very low	235 Å²	235	104 Å²	104	89%	0.89	55%	0.55	S	S	*	*	S	Bend	trans	-135.6	117.1	150.7	-83.1	82.7	0	0	0	109.1	V886	V886-W888 PolarHBondContact O-N 3.16Å; V886-W888 VanDerWaalsContact O-N 3.09Å
889	G	36.2	Very low	48.4	Very low	83 Å²	83	108.5 Å²	108.5	86%	0.856	57%	0.566	S	S	*	*	S	Bend	trans	68.7	98.7	175.4	0	0	0	0	0	115.5
890	A	29.5	Very low	47.5	Very low	78 Å²	78	113.7 Å²	113.7	65%	0.645	59%	0.585	S	S	*	*			trans	-76	144.4	-179.3	0	0	0	0	0	113.9	L895	A890-L895 HydrophobicContact CB-CD1 3.86Å
891	F	33.1	Very low	46.6	Very low	130 Å²	130	114.7 Å²	114.7	57%	0.57	59%	0.589	S	S	*	*			trans	-67	127.9	176.2	-142	-93.7	0	0	0	111.4	E893	F891-E893 PolarHBondContact O-N 3.42Å
892	P	38.4	Very low	44.5	Very low	83 Å²	83	118.1 Å²	118.1	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-42.9	-174.5	-26.1	35.3	0	0	0	115.2	K894 L895	P892-K894 PolarHBondContact O-N 3.48Å; P892-L895 PolarHBondContact O-N 3.37Å; P892-L895 VanDerWaalsContact O-N 3.16Å
893	E	41.4	Very low	42.1	Very low	129 Å²	129	125.4 Å²	125.4	60%	0.603	63%	0.634	S	S	*	*	H	α-helix	trans	-71	-27	-166.5	-68	-172.5	134	0	0	114.9	F891	F891-E893 PolarHBondContact O-N 3.42Å
894	K	36	Very low	40	Very low	157 Å²	157	129.8 Å²	129.8	68%	0.683	67%	0.666	S	S	*	*	H	α-helix	trans	-82.6	-18.5	174.3	-76.8	-174.2	177.8	175.2	0	113.4	P892 Q898	P892-K894 PolarHBondContact O-N 3.48Å; K894-Q898 PolarHBondContact O-N 3.2Å
895	L	39.3	Very low	38.2	Very low	72 Å²	72	132.1 Å²	132.1	38%	0.377	67%	0.674	S	S	.	*	H	α-helix	trans	-72.2	-39.6	174.5	-77.6	168.1	0	0	0	111.7	A890 P892 Q897 Q898 Q899	A890-L895 HydrophobicContact CB-CD1 3.86Å; P892-L895 PolarHBondContact O-N 3.37Å; P892-L895 VanDerWaalsContact O-N 3.16Å; L895-Q897 PolarHBondContact O-N 3.05Å; L895-Q898 PolarHBondContact O-N 3.5Å; L895-Q899 VanDerWaalsContact O-CB 3.31Å; L895-Q899 WeakPolarHBondContact O-CB 3.06Å; L895-Q899 VanDerWaalsContact O-CG 3.27Å; L895-Q899 WeakPolarHBondContact O-CG 3.39Å; L895-Q899 PolarHBondContact O-N 3.45Å
896	E	42.9	Very low	37	Very low	115 Å²	115	138.2 Å²	138.2	54%	0.537	69%	0.685	S	S	.	*	H	α-helix	trans	-61.9	-41.5	176.1	-93	-137.8	135.8	0	0	112.9	Q898 Q899 K900	E896-Q898 PolarHBondContact O-N 2.92Å; E896-Q899 PolarHBondContact O-N 3.42Å; E896-K900 WeakPolarHBondContact O-CB 3.19Å; E896-K900 WeakPolarHBondContact O-CG 3.12Å; E896-K900 PolarHBondContact O-N 3.36Å; E896-K900 WeakPolarHBondContact OE1-CE 3.49Å; E896-K900 IonicContact OE1-NZ 2.88Å; E896-K900 PolarHBondContact OE1-NZ 2.95Å; E896-K900 IonicContact OE2-NZ 2.69Å; E896-K900 PolarHBondContact OE2-NZ 3.23Å
897	Q	42.5	Very low	36.2	Very low	145 Å²	145	144.1 Å²	144.1	68%	0.678	71%	0.709	S	S	*	*	H	α-helix	trans	-69.7	-32.3	-178.8	-65.8	-171.6	9.9	0	0	112.6	L895	L895-Q897 PolarHBondContact O-N 3.05Å
898	Q	43.3	Very low	35.9	Very low	145 Å²	145	143.9 Å²	143.9	68%	0.678	71%	0.71	S	S	*	*	H	α-helix	trans	-80	-35	174.6	-69.9	-174	-6.2	0	0	112.6	K894 L895 E896 H901	K894-Q898 PolarHBondContact O-N 3.2Å; L895-Q898 PolarHBondContact O-N 3.5Å; E896-Q898 PolarHBondContact O-N 2.92Å; Q898-H901 PolarHBondContact O-N 3.19Å
899	Q	44.5	Very low	35.9	Very low	142 Å²	142	142 Å²	142	66%	0.664	71%	0.711	S	S	*	*	H	α-helix	trans	-73	-27.4	177.5	-71.2	179	15.5	0	0	113.2	L895 E896 H901	L895-Q899 VanDerWaalsContact O-CB 3.31Å; L895-Q899 WeakPolarHBondContact O-CB 3.06Å; L895-Q899 VanDerWaalsContact O-CG 3.27Å; L895-Q899 WeakPolarHBondContact O-CG 3.39Å; L895-Q899 PolarHBondContact O-N 3.45Å; E896-Q899 PolarHBondContact O-N 3.42Å; Q899-H901 VanDerWaalsContact C-N 3.28Å; Q899-H901 PolarHBondContact O-N 2.68Å
900	K	42.5	Very low	35.5	Very low	138 Å²	138	145.4 Å²	145.4	60%	0.6	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-9.6	176.2	-76.1	171	-177.2	164.3	0	114.6	E896	E896-K900 WeakPolarHBondContact O-CB 3.19Å; E896-K900 WeakPolarHBondContact O-CG 3.12Å; E896-K900 PolarHBondContact O-N 3.36Å; E896-K900 WeakPolarHBondContact OE1-CE 3.49Å; E896-K900 IonicContact OE1-NZ 2.88Å; E896-K900 PolarHBondContact OE1-NZ 2.95Å; E896-K900 IonicContact OE2-NZ 2.69Å; E896-K900 PolarHBondContact OE2-NZ 3.23Å
901	H	42.8	Very low	35.5	Very low	161 Å²	161	150.7 Å²	150.7	75%	0.745	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	1.9	-175.9	-86.4	-60	0	0	0	116.4	Q898 Q899	Q898-H901 PolarHBondContact O-N 3.19Å; Q899-H901 VanDerWaalsContact C-N 3.28Å; Q899-H901 PolarHBondContact O-N 2.68Å
902	H	33	Very low	35.4	Very low	157 Å²	157	152.6 Å²	152.6	73%	0.727	73%	0.732	S	S	*	*	S	Bend	trans	-125.2	115.7	175.7	-79.5	-5	0	0	0	113.1
903	H	29.4	Very low	35	Very low	181 Å²	181	157.3 Å²	157.3	84%	0.838	75%	0.747	S	S	*	*			trans	92.2	143.7	179.9	-60.2	-46.8	0	0	0	117
904	P	34.8	Very low	34.4	Very low	121 Å²	121	157.1 Å²	157.1	79%	0.786	75%	0.754	S	S	*	*			cis	-127.7	114.5	14.2	35.9	-17.4	0	0	0	115.6
905	Q	28.7	Very low	33.8	Very low	184 Å²	184	155.2 Å²	155.2	86%	0.86	76%	0.756	S	S	*	*			trans	-146.1	90.1	153.8	-73.7	-166	6.4	0	0	110.3
906	Q	29.1	Very low	33.3	Very low	194 Å²	194	159.2 Å²	159.2	91%	0.907	78%	0.777	S	S	*	*			trans	175.3	70.7	150.9	-97.7	164.2	30.2	0	0	110
907	Q	28.8	Very low	32.4	Very low	185 Å²	185	167 Å²	167	86%	0.864	81%	0.809	S	S	*	*			trans	-120.4	80.1	153.9	-80.7	-170.5	3.4	0	0	107.7
908	Q	28.5	Very low	31.9	Very low	186 Å²	186	168.1 Å²	168.1	87%	0.869	82%	0.815	S	S	*	*			trans	174.7	101.6	162.7	-104	159.5	72.2	0	0	109.2
909	Q	29.4	Very low	31.3	Very low	196 Å²	196	169.3 Å²	169.3	92%	0.916	82%	0.822	S	S	*	*			trans	176.8	58.3	137.2	-96.7	172.3	34	0	0	110.7
910	D	28.2	Very low	30.5	Very low	154 Å²	154	170.8 Å²	170.8	82%	0.824	83%	0.831	S	S	*	*			trans	-124.4	79.9	161.1	-102.1	-37.5	0	0	0	108.4
911	Q	30.1	Very low	29.8	Very low	189 Å²	189	172.8 Å²	172.8	88%	0.883	85%	0.845	S	S	*	*			trans	-160.8	73.3	166.9	-115.6	159.7	86.3	0	0	110.1
912	Q	31	Very low	29	Very low	171 Å²	171	173.5 Å²	173.5	80%	0.799	85%	0.851	S	S	*	*				41.4	114.3	118.6	-61.8	-174.9	4.5	0	0	119.2
913	Q	29.4	Very low	28.7	Very low	182 Å²	182	174.6 Å²	174.6	85%	0.85	86%	0.859	S	S	*	*				27.1	102.5	128.5	-75.7	175	-24.4	0	0	119.2
914	T	27.5	Very low	28.7	Very low	124 Å²	124	174.1 Å²	174.1	76%	0.761	86%	0.861	S	S	*	*				46.7	112.2	128.2	39.6	0	0	0	0	121.5
915	T	25.1	Very low	28.2	Very low	117 Å²	117	178.2 Å²	178.2	72%	0.718	87%	0.866	S	S	*	*				93.9	104.8	122.6	-52	0	0	0	0	120.2
916	I	27.3	Very low	28.2	Very low	157 Å²	157	177.8 Å²	177.8	81%	0.805	87%	0.867	S	S	*	*			trans	36.2	104.7	137.5	-48	174.4	0	0	0	117.9
917	K	24.2	Very low	28.1	Very low	278 Å²	278	176.3 Å²	176.3	100%	1.209	86%	0.863	S	S	*	*				-153.1	0	120.2	-124.2	-178.2	-175.9	-179.6	0	111.9

Retrieved 917 of 917 residues in 335.4 ms (Link to these results)

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