A0A087Y1L8_POEFO Loading...

WD repeat-containing protein 44

AlphaFold DB , UniProt , Accession A0A087Y1L8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 910 aa.

						>A0A087Y1L8_POEFO|A0A087Y1L8
MASDTSDNEEFYDAPEDVTLSPKETPAKLVIPSPQETSEGLVNPVENVTCAASEIQQDDSLQIIDSIIEESQKGCAIDVCEVVELLDQLQVDVKPEPKEESEAGGVPLETTVLVVAPELVKGSEERQESVTTNGEISLAAGELPTLPGPSAESQERMQPPDLTSTIAHSQADAAAALVAEAEKEQRPADILDQVPLTDRPVPTDSPGPLKPPRQFTVEPDIVASTKKPPPTRPPPPGGGPPPRPPPPSCRTLPSRMSQECVRPSGLEVPAVSSVSRDSLEPSGLMSPSSTVRCLTKDLQHSLDLASATSGDKVVTAQENEDEPASSQSGGQTPGPQRPRSNSGRELTDEEILASVMIKNLDTGEEIPLIQAEEKLPTGINPLTLHIMRRTKEYITNDAAQSDDDEKSQAPLTDTDGGKLKQRTTQLKKFLGKSVKKAKHLAEEYGEKAVNKVKSVRDEVFHTDPDDPSSSDDEGMPYTRPAKFKAAHSFKGPFDFDQIKVVQDLSGEHTGAVWTMKFSHCGRLLATAGQDNIVRIWVLKTAFDYFNNMRLKYNTEGRVSPSPSQESLCSSKSDTDPGASSAPEDPDTEDRNAPFRQVPFCKYKGHTADLLDLSWSKNFFLLSSSMDKTVRLWHISRRECLCCFQHIDFVTAIAFHPRDDRYFLSGSLDGKLRLWNIPDKKVALWNEVDGQTRLITAANFCQNGKYAVIGTYDGRCIFYDTERLKYHTQIHVRSTRGRNKVGRKITGIEPLPGENKILVTSNDSRIRLYDLRDLSLSMKYKGYVNSSSQIKASFSHDYSFIVSGSEDKYVYIWSTYHDLSKFTSVRRDRNDFWEGIKAHNAVVTSAVFAPHPDLIVPQETLAEKPEADRKSLDSTDSETIPSGALKTDHTEVLLSADFTGAIKVFINVKKY
					

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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	30.8	Very low	36	Very low	237 Å²	237	152.6 Å²	152.6	100%	1.167	83%	0.833	S	S	*	*				0	105.9	0	-63.1	176.2	178.2	0	0	104.4
2	A	34.3	Very low	35.4	Very low	95 Å²	95	159 Å²	159	79%	0.785	84%	0.839	S	S	*	*				69.2	131.7	75.5	0	0	0	0	0	111
3	S	38.8	Very low	34.9	Very low	95 Å²	95	156.5 Å²	156.5	66%	0.664	83%	0.826	S	S	*	*			cis	-173.4	145.6	-9.7	38.8	0	0	0	0	108.6
4	D	41.6	Very low	34.6	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	82%	0.822	S	S	*	*			trans	28.1	128.2	143.2	-40.8	-44	0	0	0	121.6
5	T	40.3	Very low	35.9	Very low	149 Å²	149	149.1 Å²	149.1	91%	0.914	82%	0.815	S	S	*	*			trans	-148.6	139.7	137.1	42.8	0	0	0	0	109.6
6	S	42.8	Very low	35.6	Very low	100 Å²	100	150.9 Å²	150.9	70%	0.699	82%	0.816	S	S	*	*			trans	-107.6	-156.3	179.4	51.2	0	0	0	0	111.7
7	D	37.1	Very low	35.3	Very low	142 Å²	142	150.6 Å²	150.6	76%	0.759	81%	0.813	S	S	*	*			trans	84.3	134.9	162.4	-55.3	10.4	0	0	0	116.2
8	N	31.1	Very low	35.1	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	82%	0.819	S	S	*	*			cis	-155.3	176.4	-18	-152.6	6	0	0	0	111.1
9	E	36.2	Very low	34.8	Very low	174 Å²	174	148.3 Å²	148.3	81%	0.813	81%	0.811	S	S	*	*			trans	-75	157.1	176.7	-54.3	-179.6	132.3	0	0	114.3
10	E	31.4	Very low	34.5	Very low	202 Å²	202	148.6 Å²	148.6	94%	0.944	81%	0.81	S	S	*	*			trans	-162.8	158.2	131.3	-117.4	173.5	-158.8	0	0	112.1
11	F	31	Very low	34.4	Very low	181 Å²	181	146.9 Å²	146.9	79%	0.794	81%	0.809	S	S	*	*			trans	-139.1	147.7	-166.5	-139.9	-87.6	0	0	0	109.3
12	Y	29.5	Very low	34.8	Very low	229 Å²	229	141.6 Å²	141.6	90%	0.898	79%	0.792	S	S	*	*			trans	-162.4	151.5	158.8	-118.1	-73.1	0	0	0	113.8
13	D	28.7	Very low	34.5	Very low	126 Å²	126	145.6 Å²	145.6	67%	0.674	79%	0.792	S	S	*	*			trans	-100.4	144.9	-164.8	-63.8	-71.2	0	0	0	117.2
14	A	30.7	Very low	33.9	Very low	93 Å²	93	148.4 Å²	148.4	77%	0.769	80%	0.795	S	S	*	*			trans	50.3	-171.3	132.6	0	0	0	0	0	120.1
15	P	54.3	Low	33.3	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	79%	0.791	S	S	*	*			cis	-131	-158.6	-14.9	32.6	-8.9	0	0	0	114.2
16	E	31.7	Very low	32.9	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	79%	0.787	S	S	*	*			trans	77.6	123.8	166.2	-57.1	-178.9	-173.1	0	0	117.8
17	D	30.1	Very low	32.2	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	80%	0.795	S	S	*	*			cis	95.5	104.8	33.3	-87.5	-38.4	0	0	0	116.3
18	V	32.2	Very low	31.8	Very low	150 Å²	150	149.1 Å²	149.1	91%	0.909	80%	0.802	S	S	*	*			trans	-145.3	135.6	146.2	-177.7	0	0	0	0	109
19	T	28.8	Very low	31.4	Very low	108 Å²	108	149.9 Å²	149.9	66%	0.663	81%	0.805	S	S	*	*			trans	-106.7	156.5	-178.9	51.1	0	0	0	0	112.6
20	L	29.1	Very low	31	Very low	154 Å²	154	147.4 Å²	147.4	81%	0.806	80%	0.801	S	S	*	*				168.7	107.5	118.6	-90.3	168	0	0	0	116.4
21	S	31.8	Very low	30.7	Very low	113 Å²	113	145.4 Å²	145.4	79%	0.79	80%	0.796	S	S	*	*			trans	72.7	156	135.6	73.8	0	0	0	0	122.7
22	P	40.2	Very low	30.7	Very low	125 Å²	125	142.3 Å²	142.3	81%	0.812	79%	0.793	S	S	*	*			trans	-132.6	173.7	-160.5	43	-25.4	0	0	0	117.5
23	K	26.2	Very low	30.5	Very low	180 Å²	180	136.5 Å²	136.5	78%	0.783	79%	0.786	S	S	*	*			trans	-167.4	154.4	160.1	-104.7	160.9	173.2	-100.3	0	107.1
24	E	26.7	Very low	30.8	Very low	153 Å²	153	136.5 Å²	136.5	72%	0.715	79%	0.793	S	S	*	*			cis	-152	170.4	7.8	-146.2	148.9	-124.5	0	0	110.2
25	T	29.7	Very low	30.6	Very low	124 Å²	124	141.3 Å²	141.3	76%	0.761	80%	0.8	S	S	*	*			trans	-112.1	150.4	-169.5	52.3	0	0	0	0	115
26	P	32.2	Very low	29.3	Very low	126 Å²	126	145.2 Å²	145.2	82%	0.818	81%	0.808	S	S	*	*			trans	-74.9	155.8	160.4	33.3	-33.4	0	0	0	112
27	A	28.1	Very low	29	Very low	106 Å²	106	143.7 Å²	143.7	88%	0.876	81%	0.811	S	S	*	*			trans	-95.7	167.8	-162.9	0	0	0	0	0	116.2
28	K	27.2	Very low	28.9	Very low	206 Å²	206	142 Å²	142	90%	0.896	81%	0.811	S	S	*	*			trans	-133.2	120.8	-178.1	178.5	-173.9	-179.5	-177.9	0	111.3
29	L	24.6	Very low	28.7	Very low	164 Å²	164	144.1 Å²	144.1	86%	0.859	81%	0.811	S	S	*	*			trans	-156.2	149.4	173.7	-82.3	167	0	0	0	107.9
30	V	26.1	Very low	28.5	Very low	122 Å²	122	142.7 Å²	142.7	74%	0.739	82%	0.818	S	S	*	*			cis	-158.3	151.4	-35.6	110.8	0	0	0	0	106.3
31	I	26.5	Very low	28.5	Very low	161 Å²	161	143.5 Å²	143.5	83%	0.826	82%	0.823	S	S	*	*			trans	-127.3	131	171.8	-60	178.6	0	0	0	107.7
32	P	29.9	Very low	28.4	Very low	115 Å²	115	144.4 Å²	144.4	75%	0.747	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-82	147.6	-178.3	33.1	-34.9	0	0	0	112.7
33	S	26.1	Very low	27.7	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-97.1	133.5	171.1	53	0	0	0	0	111.3
34	P	34.1	Very low	28.6	Very low	126 Å²	126	142.4 Å²	142.4	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73	156.8	163.6	31.2	-31.1	0	0	0	110.9
35	Q	27.7	Very low	28.7	Very low	195 Å²	195	141.6 Å²	141.6	91%	0.911	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-91.6	154.1	176.3	-65.5	-178.9	-84.8	0	0	111.6
36	E	26.3	Very low	28.5	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-78.1	143.3	175.6	-58.2	174	125.9	0	0	112.3
37	T	26	Very low	28.2	Very low	145 Å²	145	146 Å²	146	89%	0.89	83%	0.831	S	S	*	*			trans	-137.9	131.3	150.5	48.8	0	0	0	0	109.5
38	S	26.6	Very low	28.2	Very low	112 Å²	112	147 Å²	147	78%	0.783	83%	0.827	S	S	*	*			trans	-75.4	168	178.3	61.5	0	0	0	0	112.1
39	E	28.3	Very low	28.4	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	82%	0.818	S	S	*	*			cis	-138.3	162.3	7.2	-65.7	176.4	135.2	0	0	109.9
40	G	26	Very low	28.7	Very low	79 Å²	79	139.2 Å²	139.2	81%	0.814	81%	0.806	S	S	*	*			trans	168.4	94.5	171.1	0	0	0	0	0	114.8
41	L	28.4	Very low	28.8	Very low	171 Å²	171	136.1 Å²	136.1	90%	0.895	79%	0.793	S	S	*	*			trans	-79.8	129.1	-176.4	-176.2	76.1	0	0	0	112.8
42	V	28.9	Very low	29.1	Very low	131 Å²	131	132 Å²	132	79%	0.794	78%	0.783	S	S	*	*			trans	178.6	132.6	135	145.3	0	0	0	0	110.8
43	N	26.3	Very low	29.6	Very low	152 Å²	152	128.2 Å²	128.2	81%	0.813	76%	0.759	S	S	*	*			trans	-102.3	162.7	169.2	-95.2	-12.3	0	0	0	108.8
44	P	44.8	Very low	30.3	Very low	111 Å²	111	129.2 Å²	129.2	72%	0.721	75%	0.752	S	S	*	*			cis	-150.4	-171.3	38	36.2	-11.7	0	0	0	118.1
45	V	28.2	Very low	30.7	Very low	136 Å²	136	128.9 Å²	128.9	82%	0.824	74%	0.742	S	S	*	*			trans	82.6	110.7	164.6	-165.4	0	0	0	0	116.4
46	E	26.1	Very low	31.8	Very low	180 Å²	180	124.3 Å²	124.3	84%	0.841	72%	0.721	S	S	*	*			trans	-83.8	131.5	178.2	-61.1	173.7	125.3	0	0	111.4
47	N	27.1	Very low	33.1	Very low	163 Å²	163	118 Å²	118	87%	0.872	69%	0.691	S	S	*	*			trans	-117.8	103.6	170.3	-136.5	-10.8	0	0	0	107.2	T49	N47-T49 VanDerWaalsContact C-N 3.31Å; N47-T49 PolarHBondContact O-N 3.02Å
48	V	27.6	Very low	34.7	Very low	128 Å²	128	115.5 Å²	115.5	78%	0.776	67%	0.672	S	S	*	*			trans	-79.5	80.5	-170	-175	0	0	0	0	111.5
49	T	30.7	Very low	36.4	Very low	115 Å²	115	113.9 Å²	113.9	71%	0.706	66%	0.655	S	S	*	*			trans	42.5	103	148.7	43.1	0	0	0	0	119.5	N47 A51	N47-T49 VanDerWaalsContact C-N 3.31Å; N47-T49 PolarHBondContact O-N 3.02Å; T49-A51 VanDerWaalsContact C-N 3.29Å; T49-A51 PolarHBondContact O-N 3.07Å
50	C	31.7	Very low	38.3	Very low	91 Å²	91	104.9 Å²	104.9	62%	0.615	61%	0.613	S	S	*	*			trans	-89.6	29.8	170	-145.5	0	0	0	0	113.9	A52 S53	C50-A52 VanDerWaalsContact C-N 3.26Å; C50-A52 PolarHBondContact O-N 3.47Å; C50-S53 PolarHBondContact O-N 3.04Å; C50-S53 PolarHBondContact O-OG 2.73Å; C50-S53 PolarHBondContact SG-OG 3.09Å
51	A	28.4	Very low	40.5	Very low	56 Å²	56	102.1 Å²	102.1	46%	0.463	58%	0.58	S	S	.	*	H	α-helix	trans	-60.8	-23.5	-162.1	0	0	0	0	0	115.9	T49 S53	T49-A51 VanDerWaalsContact C-N 3.29Å; T49-A51 PolarHBondContact O-N 3.07Å; A51-S53 VanDerWaalsContact C-N 3.33Å
52	A	31.3	Very low	42.7	Very low	75 Å²	75	99.8 Å²	99.8	62%	0.62	56%	0.564	S	S	*	*	H	α-helix	trans	-74.9	-21.3	177.6	0	0	0	0	0	113.7	C50	C50-A52 VanDerWaalsContact C-N 3.26Å; C50-A52 PolarHBondContact O-N 3.47Å
53	S	40.9	Very low	44.9	Very low	35 Å²	35	94.7 Å²	94.7	25%	0.245	53%	0.533	C	S	.	.	H	α-helix	trans	-85.3	-28.4	-177.3	64.2	0	0	0	0	113.6	C50 A51 Q56 Q57	C50-S53 PolarHBondContact O-N 3.04Å; C50-S53 PolarHBondContact O-OG 2.73Å; C50-S53 PolarHBondContact SG-OG 3.09Å; A51-S53 VanDerWaalsContact C-N 3.33Å; S53-Q56 PolarHBondContact O-N 3.26Å; S53-Q57 WeakPolarHBondContact O-CB 3.29Å; S53-Q57 PolarHBondContact O-N 3.38Å
54	E	41.1	Very low	47.4	Very low	129 Å²	129	87.5 Å²	87.5	60%	0.603	49%	0.494	S	S	*	.	H	α-helix	trans	-69.1	-43.7	-178	-64.1	179.2	141.7	0	0	111.2	Q56 Q57 D58	E54-Q56 VanDerWaalsContact C-N 3.32Å; E54-Q56 PolarHBondContact O-N 3.5Å; E54-Q57 WeakPolarHBondContact O-CB 3.5Å; E54-Q57 PolarHBondContact O-N 3.35Å; E54-Q57 VanDerWaalsContact O-N 3.1Å; E54-D58 PolarHBondContact O-N 3.06Å
55	I	42.5	Very low	49	Very low	118 Å²	118	84.5 Å²	84.5	61%	0.605	47%	0.472	S	S	*	.	H	α-helix	trans	-60.3	-41.2	175.7	-58	173	0	0	0	111.3	D58 D59	I55-D58 PolarHBondContact O-N 3.34Å; I55-D59 PolarHBondContact O-N 3.12Å
56	Q	49.8	Very low	51.5	Low	99 Å²	99	80.4 Å²	80.4	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-72.8	-28.9	177.2	-67.2	179	7.9	0	0	112.3	S53 E54 D59 S60	S53-Q56 PolarHBondContact O-N 3.26Å; E54-Q56 VanDerWaalsContact C-N 3.32Å; E54-Q56 PolarHBondContact O-N 3.5Å; Q56-D59 PolarHBondContact O-N 2.97Å; Q56-S60 WeakPolarHBondContact O-CB 3.2Å; Q56-S60 PolarHBondContact O-N 3.19Å; Q56-S60 PolarHBondContact O-OG 2.81Å
57	Q	55.2	Low	53.9	Low	59 Å²	59	72 Å²	72	28%	0.276	41%	0.41	S	S	.	.	H	α-helix	trans	-67.3	-37.2	172.3	-171.6	-179.4	-53	0	0	111.4	S53 E54 S60 L61	S53-Q57 WeakPolarHBondContact O-CB 3.29Å; S53-Q57 PolarHBondContact O-N 3.38Å; E54-Q57 WeakPolarHBondContact O-CB 3.5Å; E54-Q57 PolarHBondContact O-N 3.35Å; E54-Q57 VanDerWaalsContact O-N 3.1Å; Q57-S60 VanDerWaalsContact O-CB 3.32Å; Q57-S60 WeakPolarHBondContact O-CB 3.36Å; Q57-S60 PolarHBondContact O-N 2.87Å; Q57-L61 HydrophobicContact CG-CD1 4.43Å; Q57-L61 WeakPolarHBondContact O-CB 3.2Å; Q57-L61 WeakPolarHBondContact O-CG 3.3Å; Q57-L61 PolarHBondContact O-N 2.84Å
58	D	59.2	Low	56.1	Low	92 Å²	92	65.6 Å²	65.6	49%	0.492	38%	0.376	S	S	.	.	H	α-helix	trans	-67.4	-38.6	174.4	-78.1	-12.3	0	0	0	112.3	E54 I55 S60 L61 Q62	E54-D58 PolarHBondContact O-N 3.06Å; I55-D58 PolarHBondContact O-N 3.34Å; D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.12Å; D58-L61 PolarHBondContact O-N 2.99Å; D58-Q62 VanDerWaalsContact C-NE2 3.34Å; D58-Q62 WeakPolarHBondContact O-CB 3.33Å; D58-Q62 VanDerWaalsContact O-CG 3.27Å; D58-Q62 WeakPolarHBondContact O-CG 3.38Å; D58-Q62 PolarHBondContact O-N 3.36Å; D58-Q62 PolarHBondContact O-NE2 2.7Å
59	D	63.1	Low	58.4	Low	78 Å²	78	64.4 Å²	64.4	42%	0.417	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-38.1	170	-75.5	-17.9	0	0	0	111.6	I55 Q56 Q62 I63	I55-D59 PolarHBondContact O-N 3.12Å; Q56-D59 PolarHBondContact O-N 2.97Å; D59-Q62 PolarHBondContact O-N 2.96Å; D59-I63 VanDerWaalsContact O-CG1 3.31Å; D59-I63 WeakPolarHBondContact O-CG1 3.34Å; D59-I63 PolarHBondContact O-N 2.87Å
60	S	66.3	Low	60.4	Low	4 Å²	4	61.6 Å²	61.6	3%	0.028	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-45.5	176	-50.7	0	0	0	0	111.6	Q56 Q57 D58 I63 I64 N617	Q56-S60 WeakPolarHBondContact O-CB 3.2Å; Q56-S60 PolarHBondContact O-N 3.19Å; Q56-S60 PolarHBondContact O-OG 2.81Å; Q57-S60 VanDerWaalsContact O-CB 3.32Å; Q57-S60 WeakPolarHBondContact O-CB 3.36Å; Q57-S60 PolarHBondContact O-N 2.87Å; D58-S60 VanDerWaalsContact C-N 3.3Å; D58-S60 PolarHBondContact O-N 3.12Å; S60-I63 PolarHBondContact O-N 3.16Å; S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.26Å; S60-N617 WeakPolarHBondContact OG-CB 3.42Å; S60-N617 VanDerWaalsContact OG-CG 3.24Å; S60-N617 PolarHBondContact OG-ND2 3.4Å
61	L	72.3	Confident	62	Low	21 Å²	21	59.4 Å²	59.4	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-49.7	174.7	-82.4	162.6	0	0	0	111.1	Q57 D58 I63 I64 D65 Y552	Q57-L61 HydrophobicContact CG-CD1 4.43Å; Q57-L61 WeakPolarHBondContact O-CB 3.2Å; Q57-L61 WeakPolarHBondContact O-CG 3.3Å; Q57-L61 PolarHBondContact O-N 2.84Å; D58-L61 PolarHBondContact O-N 2.99Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 2.94Å; L61-I64 PolarHBondContact O-N 3.39Å; L61-I64 VanDerWaalsContact O-N 3.14Å; L61-D65 WeakPolarHBondContact O-CB 3.48Å; L61-D65 PolarHBondContact O-N 3.41Å; L61-Y552 HydrophobicContact CD2-CD1 4.49Å; L61-Y552 HydrophobicContact CD2-CE1 3.6Å; L61-Y552 HydrophobicContact CD2-CE2 4.17Å; L61-Y552 VanDerWaalsContact CD2-CZ 3.42Å; L61-Y552 VanDerWaalsContact CD2-OH 3.3Å; L61-Y552 WeakPolarHBondContact CD2-OH 3.45Å; L61-Y552 WeakPolarHBondContact CG-OH 3.16Å
62	Q	75	Confident	63.5	Low	122 Å²	122	60.3 Å²	60.3	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-59.3	-38.9	178.1	-74.9	167.6	84.4	0	0	112.5	D58 D59 S66	D58-Q62 VanDerWaalsContact C-NE2 3.34Å; D58-Q62 WeakPolarHBondContact O-CB 3.33Å; D58-Q62 VanDerWaalsContact O-CG 3.27Å; D58-Q62 WeakPolarHBondContact O-CG 3.38Å; D58-Q62 PolarHBondContact O-N 3.36Å; D58-Q62 PolarHBondContact O-NE2 2.7Å; D59-Q62 PolarHBondContact O-N 2.96Å; Q62-S66 WeakPolarHBondContact O-CB 3.14Å; Q62-S66 PolarHBondContact O-N 3.38Å
63	I	75.1	Confident	65.1	Low	25 Å²	25	62.1 Å²	62.1	13%	0.128	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-43.1	175.1	-68	167.4	0	0	0	110.8	D59 S60 L61 I67 F619 R660	D59-I63 VanDerWaalsContact O-CG1 3.31Å; D59-I63 WeakPolarHBondContact O-CG1 3.34Å; D59-I63 PolarHBondContact O-N 2.87Å; S60-I63 PolarHBondContact O-N 3.16Å; L61-I63 VanDerWaalsContact C-N 3.31Å; L61-I63 PolarHBondContact O-N 2.94Å; I63-I67 HydrophobicContact CG2-CD1 3.71Å; I63-I67 HydrophobicContact CG2-CG1 4.45Å; I63-I67 WeakPolarHBondContact O-CB 3.35Å; I63-I67 VanDerWaalsContact O-CD1 3.31Å; I63-I67 WeakPolarHBondContact O-CD1 3.43Å; I63-I67 WeakPolarHBondContact O-CG1 3.23Å; I63-I67 PolarHBondContact O-N 2.75Å; I63-F619 HydrophobicContact CB-CE2 4.23Å; I63-F619 HydrophobicContact CB-CZ 3.87Å; I63-F619 HydrophobicContact CG2-CE1 4.2Å; I63-F619 HydrophobicContact CG2-CE2 3.97Å; I63-F619 HydrophobicContact CG2-CZ 3.48Å; I63-F619 VanDerWaalsContact CG2-CZ 3.48Å; I63-R660 HydrophobicContact CD1-CG 4.21Å; I63-R660 HydrophobicContact CG1-CG 4.49Å
64	I	78.1	Confident	65.6	Low	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-51.3	175.5	-71	168.1	0	0	0	110.9	S60 L61 S66 I67 I68 Y552 F619 H633	S60-I64 WeakPolarHBondContact O-CG1 3.48Å; S60-I64 PolarHBondContact O-N 3.26Å; L61-I64 PolarHBondContact O-N 3.39Å; L61-I64 VanDerWaalsContact O-N 3.14Å; I64-S66 PolarHBondContact O-N 3.17Å; I64-I67 WeakPolarHBondContact O-CB 3.16Å; I64-I67 PolarHBondContact O-N 3.33Å; I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.27Å; I64-I68 PolarHBondContact O-N 2.81Å; I64-Y552 HydrophobicContact CD1-CE1 3.81Å; I64-F619 HydrophobicContact CD1-CE1 4.43Å; I64-F619 HydrophobicContact CD1-CZ 4.35Å; I64-F619 HydrophobicContact CG1-CE1 3.7Å; I64-F619 HydrophobicContact CG1-CZ 3.67Å; I64-H633 HydrophobicContact CD1-CB 4.36Å
65	D	79.1	Confident	65.6	Low	48 Å²	48	59.8 Å²	59.8	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-68.4	-35.7	-175.8	-70.4	-7.8	0	0	0	110.5	L61 I68 E69 R557	L61-D65 WeakPolarHBondContact O-CB 3.48Å; L61-D65 PolarHBondContact O-N 3.41Å; D65-I68 PolarHBondContact O-N 3.18Å; D65-E69 WeakPolarHBondContact O-CB 3.46Å; D65-E69 PolarHBondContact O-N 3.27Å; D65-R557 IonicContact OD2-NE 3.2Å
66	S	81.1	Confident	65.5	Low	49 Å²	49	56.8 Å²	56.8	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-41.1	171.2	177.8	0	0	0	0	113.3	Q62 I64 I68 E69 E70	Q62-S66 WeakPolarHBondContact O-CB 3.14Å; Q62-S66 PolarHBondContact O-N 3.38Å; I64-S66 PolarHBondContact O-N 3.17Å; S66-I68 VanDerWaalsContact C-N 3.28Å; S66-I68 PolarHBondContact O-N 3.16Å; S66-E69 PolarHBondContact O-N 2.71Å; S66-E70 PolarHBondContact O-N 2.7Å
67	I	76.7	Confident	65.4	Low	4 Å²	4	57 Å²	57	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-37.3	174.2	-73.9	163	0	0	0	111	I63 I64 S71 F619 L631 C641 I676 K679	I63-I67 HydrophobicContact CG2-CD1 3.71Å; I63-I67 HydrophobicContact CG2-CG1 4.45Å; I63-I67 WeakPolarHBondContact O-CB 3.35Å; I63-I67 VanDerWaalsContact O-CD1 3.31Å; I63-I67 WeakPolarHBondContact O-CD1 3.43Å; I63-I67 WeakPolarHBondContact O-CG1 3.23Å; I63-I67 PolarHBondContact O-N 2.75Å; I64-I67 WeakPolarHBondContact O-CB 3.16Å; I64-I67 PolarHBondContact O-N 3.33Å; I67-S71 WeakPolarHBondContact O-CB 3.25Å; I67-S71 PolarHBondContact O-N 3.09Å; I67-S71 VanDerWaalsContact O-N 3.1Å; I67-F619 HydrophobicContact CD1-CE1 4.42Å; I67-L631 HydrophobicContact CD1-CD2 3.94Å; I67-C641 VanDerWaalsContact CG2-SG 3.52Å; I67-I676 HydrophobicContact CD1-CG2 3.57Å; I67-I676 HydrophobicContact CG1-CG2 4.11Å; I67-K679 PolarHBondContact O-NZ 3.14Å
68	I	73.6	Confident	64.8	Low	29 Å²	29	59.5 Å²	59.5	15%	0.149	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-48	177.5	-69.7	165.6	0	0	0	110.3	I64 D65 S66 E70 S71 Q72 R636	I64-I68 HydrophobicContact CG2-CD1 3.73Å; I64-I68 VanDerWaalsContact O-CG1 3.29Å; I64-I68 WeakPolarHBondContact O-CG1 3.27Å; I64-I68 PolarHBondContact O-N 2.81Å; D65-I68 PolarHBondContact O-N 3.18Å; S66-I68 VanDerWaalsContact C-N 3.28Å; S66-I68 PolarHBondContact O-N 3.16Å; I68-E70 PolarHBondContact O-N 3.48Å; I68-S71 WeakPolarHBondContact O-CB 3.34Å; I68-S71 PolarHBondContact O-N 3.39Å; I68-S71 VanDerWaalsContact O-N 3.15Å; I68-Q72 WeakPolarHBondContact O-CG 3.09Å; I68-Q72 PolarHBondContact O-N 3.36Å; I68-R636 VanDerWaalsContact CD1-NH2 3.31Å
69	E	76	Confident	64.2	Low	102 Å²	102	59.4 Å²	59.4	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-56.4	-47.1	175.6	-87	-165.1	-148.4	0	0	112.4	D65 S66 S71 Q72 K73	D65-E69 WeakPolarHBondContact O-CB 3.46Å; D65-E69 PolarHBondContact O-N 3.27Å; S66-E69 PolarHBondContact O-N 2.71Å; E69-S71 VanDerWaalsContact C-N 3.32Å; E69-S71 PolarHBondContact O-N 3.49Å; E69-Q72 PolarHBondContact O-N 3.03Å; E69-K73 WeakPolarHBondContact O-CD 3.4Å; E69-K73 VanDerWaalsContact O-CG 3.24Å; E69-K73 WeakPolarHBondContact O-CG 3.32Å; E69-K73 PolarHBondContact O-N 2.93Å; E69-K73 IonicContact OE2-NZ 3.81Å; E69-K73 PolarHBondContact OE2-NZ 2.93Å
70	E	73.1	Confident	63.4	Low	57 Å²	57	59.2 Å²	59.2	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-33.8	177.5	-174.2	158.8	169.2	0	0	111.8	S66 I68 Q72 K73 G74 D678 K680	S66-E70 PolarHBondContact O-N 2.7Å; I68-E70 PolarHBondContact O-N 3.48Å; E70-Q72 VanDerWaalsContact C-N 3.28Å; E70-Q72 PolarHBondContact O-N 2.63Å; E70-K73 PolarHBondContact O-N 3.43Å; E70-G74 PolarHBondContact O-N 2.9Å; E70-D678 WeakPolarHBondContact OE1-CA 3.17Å; E70-D678 WeakPolarHBondContact OE2-CA 3.34Å; E70-K680 IonicContact OE1-NZ 3.98Å; E70-K680 PolarHBondContact OE1-NZ 2.73Å
71	S	64	Low	62.4	Low	44 Å²	44	64.7 Å²	64.7	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-34.1	172.5	-140.3	0	0	0	0	113	I67 I68 E69 C75 K679	I67-S71 WeakPolarHBondContact O-CB 3.25Å; I67-S71 PolarHBondContact O-N 3.09Å; I67-S71 VanDerWaalsContact O-N 3.1Å; I68-S71 WeakPolarHBondContact O-CB 3.34Å; I68-S71 PolarHBondContact O-N 3.39Å; I68-S71 VanDerWaalsContact O-N 3.15Å; E69-S71 VanDerWaalsContact C-N 3.32Å; E69-S71 PolarHBondContact O-N 3.49Å; S71-C75 PolarHBondContact O-N 3.23Å; S71-K679 PolarHBondContact OG-NZ 3.18Å
72	Q	60.7	Low	61.2	Low	75 Å²	75	67.6 Å²	67.6	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-74.5	-42.8	175.1	-69.5	172.4	10.2	0	0	111.5	I68 E69 E70 G74 C75 A76	I68-Q72 WeakPolarHBondContact O-CG 3.09Å; I68-Q72 PolarHBondContact O-N 3.36Å; E69-Q72 PolarHBondContact O-N 3.03Å; E70-Q72 VanDerWaalsContact C-N 3.28Å; E70-Q72 PolarHBondContact O-N 2.63Å; Q72-G74 PolarHBondContact O-N 3.32Å; Q72-C75 PolarHBondContact O-N 2.72Å; Q72-A76 PolarHBondContact O-N 3.04Å; Q72-A76 VanDerWaalsContact O-N 3.07Å
73	K	64.3	Low	60.1	Low	113 Å²	113	65.9 Å²	65.9	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-60.6	-43.6	177.1	-69.7	160.8	-166.6	168.1	0	111.7	E69 E70 C75 A76 I77	E69-K73 WeakPolarHBondContact O-CD 3.4Å; E69-K73 VanDerWaalsContact O-CG 3.24Å; E69-K73 WeakPolarHBondContact O-CG 3.32Å; E69-K73 PolarHBondContact O-N 2.93Å; E69-K73 IonicContact OE2-NZ 3.81Å; E69-K73 PolarHBondContact OE2-NZ 2.93Å; E70-K73 PolarHBondContact O-N 3.43Å; K73-C75 PolarHBondContact O-N 3.17Å; K73-A76 PolarHBondContact O-N 2.75Å; K73-I77 WeakPolarHBondContact O-CG1 3.19Å; K73-I77 PolarHBondContact O-N 2.62Å
74	G	50.8	Low	58.8	Low	40 Å²	40	70.7 Å²	70.7	41%	0.412	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-43.5	174.3	0	0	0	0	0	112.8	E70 Q72 A76 I77 D78	E70-G74 PolarHBondContact O-N 2.9Å; Q72-G74 PolarHBondContact O-N 3.32Å; G74-A76 VanDerWaalsContact C-N 3.3Å; G74-A76 PolarHBondContact O-N 3.38Å; G74-I77 PolarHBondContact O-N 3.23Å; G74-D78 PolarHBondContact O-N 3.35Å
75	C	42.8	Very low	57.5	Low	76 Å²	76	75.9 Å²	75.9	51%	0.514	43%	0.426	S	S	.	.	H	α-helix	trans	-66.3	-29	178.6	-164.1	0	0	0	0	113.4	S71 Q72 K73 V79	S71-C75 PolarHBondContact O-N 3.23Å; Q72-C75 PolarHBondContact O-N 2.72Å; K73-C75 PolarHBondContact O-N 3.17Å; C75-V79 WeakPolarHBondContact O-CG2 3.13Å
76	A	39.1	Very low	55.9	Low	55 Å²	55	79.3 Å²	79.3	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-73.9	-37.8	175	0	0	0	0	0	112.4	Q72 K73 G74 V79 C80	Q72-A76 PolarHBondContact O-N 3.04Å; Q72-A76 VanDerWaalsContact O-N 3.07Å; K73-A76 PolarHBondContact O-N 2.75Å; G74-A76 VanDerWaalsContact C-N 3.3Å; G74-A76 PolarHBondContact O-N 3.38Å; A76-V79 PolarHBondContact O-N 2.82Å; A76-C80 PolarHBondContact O-N 2.85Å; A76-C80 PolarHBondContact O-SG 2.99Å
77	I	47.4	Very low	54	Low	102 Å²	102	83.1 Å²	83.1	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-66	-45.9	-179.9	-66.3	163.2	0	0	0	111	K73 G74 V79 C80 E81	K73-I77 WeakPolarHBondContact O-CG1 3.19Å; K73-I77 PolarHBondContact O-N 2.62Å; G74-I77 PolarHBondContact O-N 3.23Å; I77-V79 PolarHBondContact O-N 2.77Å; I77-C80 PolarHBondContact O-N 3.24Å; I77-C80 VanDerWaalsContact O-N 3.07Å; I77-E81 PolarHBondContact O-N 2.74Å
78	D	43.5	Very low	52.6	Low	113 Å²	113	89.9 Å²	89.9	60%	0.604	49%	0.492	S	S	*	.	H	α-helix	trans	-58.3	-37	178.6	-128.3	-12.4	0	0	0	111.8	G74 V82	G74-D78 PolarHBondContact O-N 3.35Å; D78-V82 VanDerWaalsContact O-CG2 3.28Å; D78-V82 WeakPolarHBondContact O-CG2 3.26Å; D78-V82 PolarHBondContact O-N 2.89Å
79	V	45.8	Very low	51.1	Low	90 Å²	90	95.1 Å²	95.1	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-72.7	-39.6	175.6	174.5	0	0	0	0	111.5	C75 A76 I77 V83	C75-V79 WeakPolarHBondContact O-CG2 3.13Å; A76-V79 PolarHBondContact O-N 2.82Å; I77-V79 PolarHBondContact O-N 2.77Å; V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.8Å
80	C	45.8	Very low	49.2	Very low	73 Å²	73	98.6 Å²	98.6	49%	0.493	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-46.1	177.4	-75.6	0	0	0	0	112.9	A76 I77 V82 V83 E84	A76-C80 PolarHBondContact O-N 2.85Å; A76-C80 PolarHBondContact O-SG 2.99Å; I77-C80 PolarHBondContact O-N 3.24Å; I77-C80 VanDerWaalsContact O-N 3.07Å; C80-V82 VanDerWaalsContact C-N 3.31Å; C80-V82 PolarHBondContact O-N 3.27Å; C80-V83 PolarHBondContact O-N 2.94Å; C80-E84 WeakPolarHBondContact O-CG 3.42Å; C80-E84 PolarHBondContact O-N 3.31Å
81	E	46.6	Very low	47.2	Very low	119 Å²	119	102.2 Å²	102.2	56%	0.556	56%	0.562	S	S	*	*	H	α-helix	trans	-61.4	-38.9	177.1	-85	-169.1	117.2	0	0	111.7	I77 L85	I77-E81 PolarHBondContact O-N 2.74Å; E81-L85 WeakPolarHBondContact O-CB 3.45Å; E81-L85 VanDerWaalsContact O-CG 3.22Å; E81-L85 WeakPolarHBondContact O-CG 3.33Å; E81-L85 PolarHBondContact O-N 2.87Å
82	V	46.6	Very low	45.5	Very low	83 Å²	83	107 Å²	107	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-66.3	-37.4	175.8	171.1	0	0	0	0	112.1	D78 C80 L86	D78-V82 VanDerWaalsContact O-CG2 3.28Å; D78-V82 WeakPolarHBondContact O-CG2 3.26Å; D78-V82 PolarHBondContact O-N 2.89Å; C80-V82 VanDerWaalsContact C-N 3.31Å; C80-V82 PolarHBondContact O-N 3.27Å; V82-L86 HydrophobicContact CG1-CD1 4.11Å; V82-L86 WeakPolarHBondContact O-CD1 3.18Å; V82-L86 VanDerWaalsContact O-CG 3.31Å; V82-L86 WeakPolarHBondContact O-CG 3.29Å; V82-L86 PolarHBondContact O-N 3.2Å
83	V	52.6	Low	44	Very low	85 Å²	85	109.6 Å²	109.6	52%	0.515	60%	0.604	S	S	.	*	H	α-helix	trans	-69.8	-45.8	175.5	169.1	0	0	0	0	111.5	V79 C80 L85 L86 D87	V79-V83 VanDerWaalsContact O-CG2 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.47Å; V79-V83 PolarHBondContact O-N 2.8Å; C80-V83 PolarHBondContact O-N 2.94Å; V83-L85 VanDerWaalsContact C-N 3.28Å; V83-L85 PolarHBondContact O-N 3.36Å; V83-L86 PolarHBondContact O-N 2.71Å; V83-L86 VanDerWaalsContact O-N 3.1Å; V83-D87 PolarHBondContact O-N 2.95Å
84	E	48.3	Very low	42.2	Very low	127 Å²	127	113.2 Å²	113.2	59%	0.593	62%	0.62	S	S	*	*	H	α-helix	trans	-63.7	-31.3	178	-72.6	-174.4	174	0	0	112.6	C80 Q88	C80-E84 WeakPolarHBondContact O-CG 3.42Å; C80-E84 PolarHBondContact O-N 3.31Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-NE2 3.48Å
85	L	49.7	Very low	42.1	Very low	109 Å²	109	116.4 Å²	116.4	57%	0.571	63%	0.634	S	S	*	*	H	α-helix	trans	-76.4	-25.4	173.7	-72.4	170.8	0	0	0	113.6	E81 V83	E81-L85 WeakPolarHBondContact O-CB 3.45Å; E81-L85 VanDerWaalsContact O-CG 3.22Å; E81-L85 WeakPolarHBondContact O-CG 3.33Å; E81-L85 PolarHBondContact O-N 2.87Å; V83-L85 VanDerWaalsContact C-N 3.28Å; V83-L85 PolarHBondContact O-N 3.36Å
86	L	45	Very low	41.3	Very low	120 Å²	120	121.1 Å²	121.1	63%	0.628	65%	0.648	S	S	*	*	H	α-helix	trans	-78.1	-36.5	174.2	-78.4	165.9	0	0	0	112.2	V82 V83 Q88	V82-L86 HydrophobicContact CG1-CD1 4.11Å; V82-L86 WeakPolarHBondContact O-CD1 3.18Å; V82-L86 VanDerWaalsContact O-CG 3.31Å; V82-L86 WeakPolarHBondContact O-CG 3.29Å; V82-L86 PolarHBondContact O-N 3.2Å; V83-L86 PolarHBondContact O-N 2.71Å; V83-L86 VanDerWaalsContact O-N 3.1Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-Q88 PolarHBondContact O-N 3.45Å
87	D	41.4	Very low	41.2	Very low	129 Å²	129	122.7 Å²	122.7	69%	0.69	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-27.6	-179	-141.7	40.8	0	0	0	112.3	V83 L89	V83-D87 PolarHBondContact O-N 2.95Å; D87-L89 PolarHBondContact O-N 3.42Å; D87-L89 VanDerWaalsContact O-N 3.16Å
88	Q	47.6	Very low	40.2	Very low	146 Å²	146	125.4 Å²	125.4	68%	0.682	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	1.6	178.7	-79.2	175	82.9	0	0	115.8	E84 L86	E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-NE2 3.48Å; L86-Q88 VanDerWaalsContact C-N 3.31Å; L86-Q88 PolarHBondContact O-N 3.45Å
89	L	42.9	Very low	39.4	Very low	140 Å²	140	126.9 Å²	126.9	73%	0.733	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	7	-171.2	-76.2	173.7	0	0	0	116.2	D87	D87-L89 PolarHBondContact O-N 3.42Å; D87-L89 VanDerWaalsContact O-N 3.16Å
90	Q	35.1	Very low	38.4	Very low	174 Å²	174	132.1 Å²	132.1	81%	0.813	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-87.7	121.9	174.5	-61.2	-163.3	24.6	0	0	112
91	V	31.4	Very low	37.5	Very low	134 Å²	134	133.2 Å²	133.2	81%	0.812	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-103.1	126.7	177.6	176.9	0	0	0	0	109.7
92	D	28.8	Very low	36.7	Very low	144 Å²	144	135.8 Å²	135.8	77%	0.77	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-79.6	135.2	-174.4	-168.5	5.3	0	0	0	112.8
93	V	28.4	Very low	35.8	Very low	129 Å²	129	136.6 Å²	136.6	78%	0.782	72%	0.719	S	S	*	*			trans	-143.8	120.4	172.7	-178	0	0	0	0	109.7
94	K	27.1	Very low	34.6	Very low	190 Å²	190	136.5 Å²	136.5	83%	0.826	74%	0.735	S	S	*	*			trans	-100.2	166.6	179.6	-103.8	-151.7	158.9	-179	0	113.8
95	P	48.3	Very low	33.6	Very low	107 Å²	107	134.1 Å²	134.1	70%	0.695	75%	0.745	S	S	*	*			trans	-118.5	-174.8	-149.7	44.6	-35.6	0	0	0	114.6
96	E	25.1	Very low	32.6	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	76%	0.758	S	S	*	*			trans	-161.4	168	155.3	-99.9	-63	86.1	0	0	107.9
97	P	37.7	Very low	32.6	Very low	87 Å²	87	134.9 Å²	134.9	57%	0.565	76%	0.76	S	S	*	*				-138.8	-167.6	-129.7	41.6	-21.3	0	0	0	117
98	K	27	Very low	32.1	Very low	159 Å²	159	136.2 Å²	136.2	69%	0.691	77%	0.767	S	S	*	*			trans	71.7	160.5	161.9	-67.5	176.8	162.8	-77.2	0	117.1
99	E	25.3	Very low	31.2	Very low	145 Å²	145	136.7 Å²	136.7	68%	0.678	77%	0.769	S	S	*	*			cis	-165.4	145.2	-26.7	-109.3	160.3	-172.8	0	0	107
100	E	25.6	Very low	30.4	Very low	199 Å²	199	137 Å²	137	93%	0.93	78%	0.777	S	S	*	*			trans	171.9	157.1	133.7	-97.5	179.2	-176.7	0	0	112.9
101	S	27.1	Very low	30.1	Very low	97 Å²	97	134.8 Å²	134.8	68%	0.678	78%	0.775	S	S	*	*			trans	-107	-173.3	-178.5	55.2	0	0	0	0	110.5
102	E	29.4	Very low	30	Very low	173 Å²	173	134.5 Å²	134.5	81%	0.808	77%	0.774	S	S	*	*			cis	-167.2	169.8	25	-157.2	158.8	-96.1	0	0	113.9
103	A	29.1	Very low	29.9	Very low	100 Å²	100	135 Å²	135	83%	0.826	78%	0.775	S	S	*	*			trans	68.9	136.2	162	0	0	0	0	0	119.2
104	G	26.1	Very low	29.8	Very low	82 Å²	82	135.1 Å²	135.1	85%	0.845	78%	0.776	S	S	*	*			cis	171.1	154.1	-7.8	0	0	0	0	0	113.2
105	G	26.6	Very low	29.8	Very low	77 Å²	77	132 Å²	132	79%	0.794	77%	0.773	S	S	*	*			trans	159.7	128.4	176	0	0	0	0	0	114.1
106	V	29.4	Very low	28.8	Very low	139 Å²	139	131 Å²	131	84%	0.842	77%	0.774	S	S	*	*			trans	-159.6	157.7	-166.3	170.6	0	0	0	0	107.7
107	P	44.5	Very low	29.5	Very low	106 Å²	106	128.7 Å²	128.7	69%	0.688	77%	0.774	S	S	*	*			cis	-126.6	175.6	-8.2	32.7	-13.3	0	0	0	114.9
108	L	31.8	Very low	28.9	Very low	157 Å²	157	134 Å²	134	82%	0.822	79%	0.791	S	S	*	*				174.6	173.4	100	-145.9	72.7	0	0	0	111.5
109	E	28.1	Very low	28.9	Very low	156 Å²	156	133.8 Å²	133.8	73%	0.729	80%	0.797	S	S	*	*			trans	-101.3	154.7	-156.4	-56.1	161	109.8	0	0	115.1
110	T	26.4	Very low	29	Very low	146 Å²	146	132.1 Å²	132.1	90%	0.896	80%	0.796	S	S	*	*				-160.6	123.4	124.6	-70.4	0	0	0	0	108.2
111	T	28.6	Very low	29	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	80%	0.795	S	S	*	*			trans	-103.7	142.5	-170.4	7.8	0	0	0	0	113.8
112	V	29.4	Very low	28.8	Very low	128 Å²	128	131.7 Å²	131.7	78%	0.776	80%	0.802	S	S	*	*			trans	-82.2	153.4	164.2	178	0	0	0	0	108.9
113	L	26.6	Very low	28.7	Very low	154 Å²	154	129.5 Å²	129.5	81%	0.806	81%	0.806	S	S	*	*			trans	-164.2	148.4	138.2	-109.5	169.4	0	0	0	113.5	V115	L113-V115 HydrophobicContact CD2-CG2 4.43Å
114	V	26	Very low	28.7	Very low	132 Å²	132	133.7 Å²	133.7	80%	0.8	81%	0.808	S	S	*	*			trans	-115.2	135.9	165.9	171.2	0	0	0	0	106.7
115	V	27.5	Very low	28.7	Very low	124 Å²	124	137.1 Å²	137.1	75%	0.752	80%	0.802	S	S	*	*			trans	-138.8	141.3	177.1	-175.4	0	0	0	0	109.6	L113	L113-V115 HydrophobicContact CD2-CG2 4.43Å
116	A	27.7	Very low	28.7	Very low	87 Å²	87	143.3 Å²	143.3	72%	0.719	80%	0.802	S	S	*	*			trans	-89.3	161.6	178.9	0	0	0	0	0	112.5
117	P	39.2	Very low	28.5	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	80%	0.795	S	S	*	*			trans	-97	140.1	171.4	35.6	-30.1	0	0	0	112.9
118	E	24.8	Very low	27.7	Very low	197 Å²	197	146.5 Å²	146.5	92%	0.921	80%	0.798	S	S	*	*			trans	-115.5	-171.7	152.4	-146.3	-174.9	-144.1	0	0	109.2
119	L	28	Very low	27.5	Very low	155 Å²	155	143.7 Å²	143.7	81%	0.812	79%	0.792	S	S	*	*			trans	-121.4	161.1	-144.7	-144.6	150.4	0	0	0	113.3
120	V	27.6	Very low	27.4	Very low	110 Å²	110	142.3 Å²	142.3	67%	0.667	79%	0.794	S	S	*	*			trans	108.1	127.6	154.7	-175.8	0	0	0	0	119.1
121	K	24.9	Very low	27.5	Very low	206 Å²	206	141 Å²	141	90%	0.896	79%	0.786	S	S	*	*			trans	82.1	112.3	156.7	-83.4	162.5	-168.1	171.6	0	122
122	G	23.5	Very low	27.5	Very low	81 Å²	81	140.1 Å²	140.1	84%	0.835	78%	0.781	S	S	*	*			trans	-160.6	153	154.3	0	0	0	0	0	108.3
123	S	26.9	Very low	27.6	Very low	128 Å²	128	141.5 Å²	141.5	90%	0.895	78%	0.784	S	S	*	*			trans	-115.6	172.7	-165.5	56.9	0	0	0	0	116
124	E	29.3	Very low	27.7	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	78%	0.782	S	S	*	*			trans	-83	168.4	-163.7	-46.5	164.6	117.8	0	0	116.6
125	E	25	Very low	27.8	Very low	154 Å²	154	140 Å²	140	72%	0.72	78%	0.784	S	S	*	*			trans	-146.1	121.2	138.1	-101.7	-144.1	111.6	0	0	112.5
126	R	27.4	Very low	27.9	Very low	208 Å²	208	140.4 Å²	140.4	79%	0.785	78%	0.781	S	S	*	*			trans	60.3	155.2	149.9	-71.3	177.6	158.9	131.9	-9.9	119.5
127	Q	25.3	Very low	27.9	Very low	149 Å²	149	140.8 Å²	140.8	70%	0.696	78%	0.778	S	S	*	*			cis	-154.8	146.7	23.4	-160.7	166.2	-37	0	0	113.4
128	E	27.1	Very low	27.4	Very low	162 Å²	162	142.9 Å²	142.9	76%	0.757	78%	0.781	S	S	*	*			trans	64	148.6	159.7	-80.2	162.3	-137.2	0	0	120.2
129	S	28.5	Very low	27.6	Very low	98 Å²	98	137.6 Å²	137.6	69%	0.685	77%	0.771	S	S	*	*			cis	-163.6	173.9	-7	52.7	0	0	0	0	113.6
130	V	26.8	Very low	27.8	Very low	128 Å²	128	135.6 Å²	135.6	78%	0.776	78%	0.777	S	S	*	*			trans	81.8	100.9	163.1	-167.4	0	0	0	0	120.3
131	T	28.3	Very low	27.8	Very low	119 Å²	119	134.2 Å²	134.2	73%	0.73	79%	0.785	S	S	*	*			trans	-20.1	165.7	147.7	59.6	0	0	0	0	120.3
132	T	27.3	Very low	28	Very low	109 Å²	109	133 Å²	133	67%	0.669	78%	0.782	S	S	*	*			cis	-154.3	149.3	32.8	43.6	0	0	0	0	114.9
133	N	31.4	Very low	28.3	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	78%	0.78	S	S	*	*			trans	41.6	137.4	140.1	-43.5	-5.7	0	0	0	120.3
134	G	28.8	Very low	29.5	Very low	75 Å²	75	135 Å²	135	77%	0.773	77%	0.769	S	S	*	*			cis	161.8	-177.4	8.2	0	0	0	0	0	108.8
135	E	29.6	Very low	29.4	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	77%	0.767	S	S	*	*			cis	-172	-178.5	-11.3	-150.8	-174	108.3	0	0	110.4
136	I	28.1	Very low	30	Very low	134 Å²	134	133 Å²	133	69%	0.687	77%	0.774	S	S	*	*			trans	75.4	95.8	158.7	-58.7	170.1	0	0	0	121.2
137	S	28.8	Very low	31	Very low	95 Å²	95	129 Å²	129	66%	0.664	77%	0.774	S	S	*	*				59.1	127.7	117.2	-55.7	0	0	0	0	127.7
138	L	28.7	Very low	31.1	Very low	170 Å²	170	125 Å²	125	89%	0.89	77%	0.774	S	S	*	*			trans	65.9	153.5	131.5	-59.5	170.5	0	0	0	121.3
139	A	29.1	Very low	32.4	Very low	86 Å²	86	123.1 Å²	123.1	71%	0.711	78%	0.775	S	S	*	*			cis	-172.5	162.2	-20.4	0	0	0	0	0	114
140	A	30.8	Very low	32.5	Very low	114 Å²	114	123.6 Å²	123.6	94%	0.942	78%	0.779	S	S	*	*			trans	67.3	148.6	154	0	0	0	0	0	123.2
141	G	28.4	Very low	32.7	Very low	81 Å²	81	121.9 Å²	121.9	84%	0.835	78%	0.778	S	S	*	*			trans	158.8	63.5	169.1	0	0	0	0	0	121.4
142	E	29.2	Very low	32.8	Very low	179 Å²	179	124.9 Å²	124.9	84%	0.836	78%	0.784	S	S	*	*			trans	7.8	128.6	160	-62.8	-170.8	113.5	0	0	126.9
143	L	30.1	Very low	32.8	Very low	151 Å²	151	125.5 Å²	125.5	79%	0.791	79%	0.792	S	S	*	*				53	171.8	124.9	-83.3	113.5	0	0	0	123.5
144	P	52.3	Low	32.7	Very low	101 Å²	101	126.7 Å²	126.7	66%	0.656	79%	0.793	S	S	*	*			cis	-136.3	167	0.2	36.3	-16.1	0	0	0	120.4
145	T	26.4	Very low	32.7	Very low	137 Å²	137	131.2 Å²	131.2	84%	0.84	79%	0.794	S	S	*	*			trans	85.3	154	143.8	37.7	0	0	0	0	125.1
146	L	38.1	Very low	32.5	Very low	163 Å²	163	132 Å²	132	85%	0.853	79%	0.789	S	S	*	*			trans	-130.7	-178.3	-166.8	-89.4	168.2	0	0	0	109.5
147	P	47.7	Very low	32.4	Very low	123 Å²	123	132 Å²	132	80%	0.799	79%	0.788	S	S	*	*			cis	-142.5	-171.8	22.7	42.6	-20.7	0	0	0	118
148	G	27.1	Very low	32.5	Very low	66 Å²	66	136 Å²	136	68%	0.68	80%	0.796	S	S	*	*			trans	-98.1	-147	171.1	0	0	0	0	0	113.9
149	P	55.1	Low	34.2	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	79%	0.788	S	S	*	*			cis	-143.4	-174.9	8.7	41.7	-20.5	0	0	0	117.9
150	S	29.9	Very low	35.2	Very low	109 Å²	109	134.8 Å²	134.8	76%	0.762	79%	0.791	S	S	*	*			trans	64.7	126.8	143.4	65.7	0	0	0	0	125.7
151	A	32.5	Very low	35.3	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	79%	0.785	S	S	*	*				95.6	131.9	126.5	0	0	0	0	0	124.8
152	E	28.8	Very low	35.5	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	78%	0.782	S	S	*	*			trans	80	133.8	138.2	-80.6	179.7	-167	0	0	127
153	S	28.7	Very low	35.6	Very low	121 Å²	121	137 Å²	137	85%	0.846	78%	0.777	S	S	*	*			trans	89.6	165.3	144.1	76.7	0	0	0	0	121.6
154	Q	27.9	Very low	35.6	Very low	183 Å²	183	134.3 Å²	134.3	86%	0.855	77%	0.771	S	S	*	*			trans	-124.3	154	-160.9	-56.7	163.5	-87.6	0	0	112.4
155	E	28.3	Very low	34.4	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	78%	0.777	S	S	*	*				154.3	116.7	124.4	-81.3	-131.4	86.2	0	0	116.4
156	R	26.7	Very low	34.6	Very low	194 Å²	194	137.3 Å²	137.3	73%	0.732	78%	0.779	S	S	*	*				50	117.3	117.4	-147.6	165.5	-161.3	-123.3	-2.1	123.9
157	M	26.5	Very low	34.2	Very low	136 Å²	136	133.4 Å²	133.4	67%	0.67	77%	0.771	S	S	*	*			trans	71.6	123.7	145.1	-71.9	-176	-34.8	0	0	124
158	Q	29.9	Very low	33.3	Very low	178 Å²	178	136.6 Å²	136.6	83%	0.832	78%	0.775	S	S	*	*				31.6	163	129	-77.2	-170.2	-12.5	0	0	123.3
159	P	63.5	Low	33.6	Very low	110 Å²	110	137.7 Å²	137.7	71%	0.714	77%	0.772	S	S	*	*				-119.3	-160.9	-51	36.2	-17	0	0	0	109.4
160	P	52	Low	32.3	Very low	121 Å²	121	141 Å²	141	79%	0.786	78%	0.777	S	S	*	*				-160.9	-174.9	88.5	43	-21.8	0	0	0	117
161	D	31.3	Very low	32.4	Very low	150 Å²	150	139.9 Å²	139.9	80%	0.802	78%	0.775	S	S	*	*			trans	-98.1	163.7	162.1	-93.3	-55.8	0	0	0	112.1
162	L	34.4	Very low	32.3	Very low	151 Å²	151	143 Å²	143	79%	0.791	78%	0.779	S	S	*	*				149	124.1	127.2	-77.4	173.3	0	0	0	117.5
163	T	29.6	Very low	32.2	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	77%	0.772	S	S	*	*			trans	59.2	129.3	139.6	56.2	0	0	0	0	126
164	S	29.7	Very low	32.3	Very low	94 Å²	94	137.5 Å²	137.5	66%	0.657	77%	0.772	S	S	*	*				83.8	104.3	126.2	68.1	0	0	0	0	124.4
165	T	28	Very low	32.3	Very low	127 Å²	127	133.6 Å²	133.6	78%	0.779	77%	0.77	S	S	*	*				52.2	127.5	126.5	61.1	0	0	0	0	123.1
166	I	30.1	Very low	32.2	Very low	174 Å²	174	129.9 Å²	129.9	89%	0.892	77%	0.769	S	S	*	*				-167.4	164.5	108.2	-99.2	164.9	0	0	0	111.2
167	A	29.6	Very low	32.2	Very low	82 Å²	82	128.4 Å²	128.4	68%	0.678	78%	0.775	S	S	*	*			trans	-85	166.3	-158.6	0	0	0	0	0	118.1
168	H	30.3	Very low	32.5	Very low	189 Å²	189	128.7 Å²	128.7	88%	0.875	78%	0.783	S	S	*	*				-154	-176.2	129.2	-106.8	-51.7	0	0	0	112
169	S	32.6	Very low	32.6	Very low	90 Å²	90	124 Å²	124	63%	0.629	78%	0.775	S	S	*	*			trans	-148.1	141.6	-139	53.8	0	0	0	0	117.4
170	Q	27.6	Very low	30.9	Very low	189 Å²	189	127.6 Å²	127.6	88%	0.883	78%	0.782	S	S	*	*			trans	173.5	129	142.2	-97	163.9	-5.5	0	0	108.5
171	A	33	Very low	29.9	Very low	87 Å²	87	125.6 Å²	125.6	72%	0.719	78%	0.777	S	S	*	*				75.1	134.5	73.8	0	0	0	0	0	113.1
172	D	28.6	Very low	29.7	Very low	158 Å²	158	127.8 Å²	127.8	85%	0.845	78%	0.782	S	S	*	*			cis	-158.6	178.7	7.9	-141.7	-37.4	0	0	0	113.4
173	A	27.6	Very low	29.4	Very low	86 Å²	86	128.7 Å²	128.7	71%	0.711	78%	0.779	S	S	*	*			trans	67.3	121.6	176.1	0	0	0	0	0	117.1
174	A	30.1	Very low	29.4	Very low	101 Å²	101	130 Å²	130	84%	0.835	78%	0.777	S	S	*	*			cis	78.9	136.7	31.3	0	0	0	0	0	114.2
175	A	28.3	Very low	29.2	Very low	100 Å²	100	134.6 Å²	134.6	83%	0.826	79%	0.788	S	S	*	*			cis	-149	-178.7	3.4	0	0	0	0	0	109.8
176	A	26.9	Very low	29.4	Very low	92 Å²	92	139.8 Å²	139.8	76%	0.76	79%	0.794	S	S	*	*			cis	-151.4	174.1	6.7	0	0	0	0	0	111.4
177	L	27.1	Very low	30.4	Very low	163 Å²	163	137.3 Å²	137.3	85%	0.853	79%	0.789	S	S	*	*			trans	-140	178.5	177.2	-75.8	169.6	0	0	0	110.1
178	V	32.4	Very low	30.4	Very low	141 Å²	141	137.8 Å²	137.8	86%	0.855	79%	0.793	S	S	*	*			trans	74.1	150.1	162.7	-173.4	0	0	0	0	114.8
179	A	32	Very low	30.6	Very low	80 Å²	80	136.1 Å²	136.1	66%	0.661	79%	0.79	S	S	*	*			cis	-170.9	178.5	-39.5	0	0	0	0	0	106.9
180	E	26.6	Very low	30.5	Very low	185 Å²	185	139.3 Å²	139.3	86%	0.864	80%	0.799	S	S	*	*				178.9	171	128.3	-100.2	-53.7	158	0	0	111.4
181	A	32.3	Very low	30.6	Very low	80 Å²	80	137.4 Å²	137.4	66%	0.661	79%	0.794	S	S	*	*			trans	-117	159.9	175.5	0	0	0	0	0	112.5
182	E	27.4	Very low	30.5	Very low	195 Å²	195	139.8 Å²	139.8	91%	0.911	79%	0.794	S	S	*	*			trans	-171.1	-161.6	137	-111	-170.1	176.2	0	0	113.9
183	K	28.1	Very low	30.6	Very low	170 Å²	170	140.3 Å²	140.3	74%	0.739	79%	0.792	S	S	*	*			trans	-109.4	158.5	-149.1	-82.8	-179.5	167.2	-166.9	0	117.9
184	E	29.5	Very low	31	Very low	146 Å²	146	142.4 Å²	142.4	68%	0.682	80%	0.795	S	S	*	*			trans	22.3	118.1	141.5	-51.5	176.8	93.4	0	0	120.1
185	Q	25.7	Very low	31.6	Very low	191 Å²	191	143.3 Å²	143.3	89%	0.893	79%	0.793	S	S	*	*				176.7	162.1	106.4	-93	171.2	25.9	0	0	114.2
186	R	32.5	Very low	31.8	Very low	237 Å²	237	146.5 Å²	146.5	89%	0.894	80%	0.795	S	S	*	*			trans	-113.2	166.9	168.9	-86.2	-176.4	179	168.8	-0.6	107.5
187	P	50.2	Low	32.1	Very low	122 Å²	122	147.7 Å²	147.7	79%	0.792	79%	0.793	S	S	*	*			cis	-152.9	-162.7	34.8	44	-21.7	0	0	0	117.6
188	A	29.9	Very low	32.1	Very low	92 Å²	92	147.3 Å²	147.3	76%	0.76	79%	0.792	S	S	*	*			trans	103.2	139.4	149.6	0	0	0	0	0	120.2
189	D	33.3	Very low	32.1	Very low	154 Å²	154	150.5 Å²	150.5	82%	0.824	79%	0.789	S	S	*	*			trans	-95.3	173.8	-176.2	-40.3	-99.6	0	0	0	113.2
190	I	30.6	Very low	32.8	Very low	156 Å²	156	152.8 Å²	152.8	80%	0.8	80%	0.796	S	S	*	*			trans	179.5	136.2	134	-98.6	159.2	0	0	0	115
191	L	29.9	Very low	33.4	Very low	150 Å²	150	147.7 Å²	147.7	79%	0.785	78%	0.778	S	S	*	*			trans	38.6	119.9	156.5	-61.3	171.1	0	0	0	121.4
192	D	31.9	Very low	34.5	Very low	136 Å²	136	149.5 Å²	149.5	73%	0.727	78%	0.783	S	S	*	*				90.8	151.1	60.3	-168.3	34.1	0	0	0	115.9
193	Q	29.7	Very low	34.8	Very low	169 Å²	169	145.9 Å²	145.9	79%	0.79	77%	0.774	S	S	*	*			trans	89.8	160	168.1	-54.5	-165.9	37.6	0	0	122.3
194	V	36.5	Very low	34.9	Very low	130 Å²	130	145.2 Å²	145.2	79%	0.788	78%	0.779	S	S	*	*			trans	-140.5	152.3	-165.6	-179.6	0	0	0	0	109.8
195	P	42.6	Very low	35.3	Very low	121 Å²	121	142.8 Å²	142.8	79%	0.786	78%	0.778	S	S	*	*			trans	-136.8	171.3	144.5	34.5	-18.8	0	0	0	116
196	L	32.7	Very low	36.6	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	77%	0.774	S	S	*	*			trans	-82.2	179.9	178.1	-65.9	144	0	0	0	110.3
197	T	32.7	Very low	36.6	Very low	117 Å²	117	131.9 Å²	131.9	72%	0.718	77%	0.768	S	S	*	*			cis	-154.5	168.7	43.8	51.5	0	0	0	0	112.3
198	D	27.7	Very low	37.1	Very low	155 Å²	155	132 Å²	132	83%	0.829	77%	0.768	S	S	*	*				-153.3	164.6	84	-98.9	4.1	0	0	0	116.1
199	R	31.4	Very low	37.2	Very low	209 Å²	209	135.9 Å²	135.9	79%	0.789	78%	0.776	S	S	*	*			trans	-154.8	161.6	-173.7	-142.7	-178.1	-169.1	-166	3.8	110.1	V201	R199-V201 HydrophobicContact CG-CG2 4.2Å
200	P	46.8	Very low	37.2	Very low	127 Å²	127	137.5 Å²	137.5	83%	0.825	78%	0.776	S	S	*	*				-145.4	175	101.3	34.9	-18	0	0	0	115.5
201	V	39.9	Very low	38.2	Very low	79 Å²	79	135.7 Å²	135.7	48%	0.479	77%	0.774	S	S	.	*			trans	-141.3	158.5	172.5	-146.2	0	0	0	0	107.6	R199 T203	R199-V201 HydrophobicContact CG-CG2 4.2Å; V201-T203 HydrophobicContact CB-CG2 4.38Å; V201-T203 HydrophobicContact CG1-CG2 4.05Å
202	P	54.7	Low	39.5	Very low	117 Å²	117	133.7 Å²	133.7	76%	0.76	77%	0.77	S	S	*	*				-140.4	135.4	99.8	22.7	-2.2	0	0	0	112.6
203	T	35.4	Very low	39.7	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	78%	0.778	S	S	*	*				72.1	120	58.7	64.6	0	0	0	0	116.4	V201	V201-T203 HydrophobicContact CB-CG2 4.38Å; V201-T203 HydrophobicContact CG1-CG2 4.05Å
204	D	30.1	Very low	39.8	Very low	156 Å²	156	139.8 Å²	139.8	83%	0.834	78%	0.784	S	S	*	*			trans	-140	178.3	142.6	-145.5	-27.8	0	0	0	110
205	S	36.5	Very low	39.6	Very low	95 Å²	95	142.9 Å²	142.9	66%	0.664	79%	0.787	S	S	*	*			trans	-148.6	-167.6	-145.3	65.2	0	0	0	0	114.6
206	P	54.1	Low	39	Very low	125 Å²	125	143 Å²	143	81%	0.812	79%	0.786	S	S	*	*			cis	-129.4	172.1	-47.1	29.2	-10.5	0	0	0	114.2
207	G	32.8	Very low	39.1	Very low	74 Å²	74	141.1 Å²	141.1	76%	0.763	78%	0.781	S	S	*	*			trans	166.7	138.4	165	0	0	0	0	0	117.3
208	P	58.9	Low	39.3	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	78%	0.781	S	S	*	*			trans	-123.6	166.6	-173.9	42.4	-32.4	0	0	0	117
209	L	32.8	Very low	40.4	Very low	175 Å²	175	141.8 Å²	141.8	92%	0.916	78%	0.782	S	S	*	*			trans	-176.3	179.4	142.9	-103.1	164.6	0	0	0	114.9
210	K	34	Very low	40.6	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	78%	0.777	S	S	*	*			trans	-150.5	176.2	-174.8	-95.1	-176.2	179.3	178.5	0	108.8
211	P	50.9	Low	40.4	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	77%	0.771	S	S	*	*			cis	-126.6	-102.1	-10.5	22.3	5.4	0	0	0	117.4
212	P	57.7	Low	40.2	Very low	107 Å²	107	141.9 Å²	141.9	70%	0.695	79%	0.792	S	S	*	*				-137.6	-177.6	-129.8	44.1	-23.6	0	0	0	120
213	R	34.8	Very low	39.4	Very low	238 Å²	238	140.5 Å²	140.5	90%	0.898	79%	0.791	S	S	*	*			trans	107.3	134.1	159.4	-66.5	176.1	166.7	179.3	-3.9	118.3
214	Q	32.7	Very low	39.4	Very low	195 Å²	195	140.6 Å²	140.6	91%	0.911	80%	0.797	S	S	*	*				-172	168.6	117.2	-108.2	176.8	-16.6	0	0	113.6
215	F	32.9	Very low	40.1	Very low	195 Å²	195	139.8 Å²	139.8	86%	0.855	80%	0.797	S	S	*	*			trans	-160.8	168.7	-175	-134.5	-80.3	0	0	0	111.2
216	T	30.5	Very low	40.3	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	81%	0.808	S	S	*	*			trans	71.9	161.5	173.9	83.2	0	0	0	0	116.2
217	V	34.5	Very low	40	Very low	125 Å²	125	148.4 Å²	148.4	76%	0.758	81%	0.81	S	S	*	*			cis	-144.2	-178.1	5.6	80.3	0	0	0	0	112
218	E	37.2	Very low	41.1	Very low	155 Å²	155	150.3 Å²	150.3	72%	0.724	81%	0.809	S	S	*	*			trans	-97.8	-165	-170.7	-58.3	145.1	129.3	0	0	114.6
219	P	50.3	Low	41	Very low	131 Å²	131	149.9 Å²	149.9	85%	0.851	81%	0.806	S	S	*	*				-139.3	164.9	93.6	39.4	-27.1	0	0	0	117.9
220	D	35.5	Very low	42	Very low	127 Å²	127	147.5 Å²	147.5	68%	0.679	80%	0.801	S	S	*	*			trans	-58.6	146.7	178.1	-87.1	-46.8	0	0	0	115.4
221	I	41.3	Very low	42.7	Very low	137 Å²	137	145.1 Å²	145.1	70%	0.703	80%	0.802	S	S	*	*				73.5	118.4	62.3	-59.5	-176.3	0	0	0	116.1
222	V	37.7	Very low	42.5	Very low	153 Å²	153	150.8 Å²	150.8	93%	0.927	81%	0.809	S	S	*	*			trans	-135.5	141.3	142.1	-173.5	0	0	0	0	108.2
223	A	36.3	Very low	42.7	Very low	89 Å²	89	150.6 Å²	150.6	74%	0.736	81%	0.807	S	S	*	*			trans	-93.8	161	-156.9	0	0	0	0	0	116.9
224	S	35	Very low	43.9	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	80%	0.8	S	S	*	*			trans	-140.3	121.9	164.2	-174.8	0	0	0	0	110.8
225	T	45.2	Very low	45.1	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	79%	0.793	S	S	*	*			trans	-93	116.8	-173.4	52.8	0	0	0	0	112.4
226	K	40.2	Very low	46	Very low	202 Å²	202	137.8 Å²	137.8	88%	0.878	79%	0.791	S	S	*	*			trans	-133.3	129.5	165.9	-107.9	178.4	177.2	176.5	0	110.7
227	K	49.8	Very low	47.1	Very low	199 Å²	199	136.2 Å²	136.2	87%	0.865	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71	146.9	171.7	-67.5	-177.6	176.7	-177.3	0	110.1
228	P	54	Low	48	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.7	154	167	29.5	-35	0	0	0	110.8
229	P	57.3	Low	49.3	Very low	116 Å²	116	129.4 Å²	129.4	75%	0.753	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.4	152.3	172	30.7	-35	0	0	0	111
230	P	54.2	Low	49.6	Very low	125 Å²	125	129.1 Å²	129.1	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.2	141.3	175.7	28.9	-34.4	0	0	0	111.3
231	T	48.9	Very low	50.9	Low	137 Å²	137	128.6 Å²	128.6	84%	0.84	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65.5	139.2	172.5	37.3	0	0	0	0	111.1
232	R	47.4	Very low	51.4	Low	237 Å²	237	128 Å²	128	89%	0.894	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.1	129.9	176.7	173.7	-175.8	-78	-142.3	0.6	109.6
233	P	60.2	Low	52.2	Low	103 Å²	103	131.9 Å²	131.9	67%	0.669	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.3	152.4	171.6	29.8	-34.8	0	0	0	111.3
234	P	61.2	Low	53	Low	115 Å²	115	132.7 Å²	132.7	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.4	154	176.3	27.8	-35.2	0	0	0	111.7
235	P	56.4	Low	54.1	Low	119 Å²	119	132.4 Å²	132.4	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.5	143.4	179.8	28.7	-34.9	0	0	0	111.3	G237	P235-G237 PolarHBondContact O-N 3.47Å
236	P	52.6	Low	54.2	Low	125 Å²	125	131.2 Å²	131.2	81%	0.812	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.8	126.9	172.9	28.6	-33.3	0	0	0	110.2	G238	P236-G238 PolarHBondContact O-N 3.13Å; P236-G238 VanDerWaalsContact O-N 3.1Å
237	G	52.8	Low	54.3	Low	92 Å²	92	127.9 Å²	127.9	95%	0.948	79%	0.788	S	S	*	*			trans	-73	97.6	173.4	0	0	0	0	0	111.1	P235	P235-G237 PolarHBondContact O-N 3.47Å
238	G	54	Low	53.7	Low	69 Å²	69	123.4 Å²	123.4	71%	0.711	78%	0.782	S	S	*	*			trans	-159.1	129.9	174.7	0	0	0	0	0	111.1	P236	P236-G238 PolarHBondContact O-N 3.13Å; P236-G238 VanDerWaalsContact O-N 3.1Å
239	G	64.2	Low	52.6	Low	69 Å²	69	123.7 Å²	123.7	71%	0.711	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.5	161.4	172.8	0	0	0	0	0	112
240	P	57.6	Low	51.2	Low	125 Å²	125	129.7 Å²	129.7	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.2	142.8	176	28	-34.6	0	0	0	110.9
241	P	61.9	Low	50	Low	116 Å²	116	129.3 Å²	129.3	75%	0.753	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.4	150.4	173.9	28.5	-34.8	0	0	0	110.9
242	P	52.7	Low	49.4	Very low	124 Å²	124	130 Å²	130	81%	0.805	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.5	142.2	-179.7	26.5	-34.4	0	0	0	111.7
243	R	53.7	Low	48.7	Very low	234 Å²	234	125 Å²	125	88%	0.883	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-65	135.1	176.8	-174.6	-172.4	-69.5	-131.3	0.1	110.1
244	P	54.4	Low	47.3	Very low	107 Å²	107	124.9 Å²	124.9	70%	0.695	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-64	146.6	172.2	27.6	-34.6	0	0	0	111.2
245	P	56.5	Low	46	Very low	115 Å²	115	129.8 Å²	129.8	75%	0.747	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69.1	155.1	179.1	29.9	-35.5	0	0	0	111.8
246	P	47.1	Very low	44.7	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-67	147.2	173.2	29.9	-34.9	0	0	0	111	S248	P246-S248 PolarHBondContact O-N 3.04Å
247	P	44.2	Very low	43.6	Very low	132 Å²	132	131.1 Å²	131.1	86%	0.857	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.1	118	172.6	27.8	-33.2	0	0	0	109.7
248	S	36.6	Very low	42.4	Very low	106 Å²	106	135 Å²	135	74%	0.741	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-81.7	130	177.6	46.4	0	0	0	0	111	P246	P246-S248 PolarHBondContact O-N 3.04Å
249	C	31.4	Very low	40.9	Very low	119 Å²	119	140.5 Å²	140.5	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.9	137	175.7	-169.7	0	0	0	0	110.5
250	R	27.8	Very low	39.1	Very low	241 Å²	241	142.5 Å²	142.5	91%	0.909	79%	0.792	S	S	*	*			trans	-137.5	124.6	166.4	-77.7	-166.4	169.1	-159.6	-4	110.2
251	T	28.5	Very low	37.6	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.724	79%	0.794	S	S	*	*			trans	-94.2	141.4	-179.4	31.1	0	0	0	0	111.9
252	L	35.7	Very low	35.9	Very low	151 Å²	151	148.8 Å²	148.8	79%	0.791	80%	0.8	S	S	*	*			trans	52.3	143.5	152.1	-63.4	169.2	0	0	0	119.8
253	P	33.6	Very low	35.1	Very low	132 Å²	132	149 Å²	149	86%	0.857	80%	0.801	S	S	*	*				-129.1	160.6	113.3	37.3	-32.7	0	0	0	112.8
254	S	31.3	Very low	33.8	Very low	100 Å²	100	143.8 Å²	143.8	70%	0.699	80%	0.801	S	S	*	*			trans	-134.6	135.7	174.6	59.9	0	0	0	0	111.3
255	R	34	Very low	32.7	Very low	219 Å²	219	141.8 Å²	141.8	83%	0.826	80%	0.8	S	S	*	*			trans	156.6	137.7	134.1	-94.1	-172.8	163.8	-166	-4.6	113.8
256	M	28.7	Very low	31.6	Very low	156 Å²	156	143.7 Å²	143.7	77%	0.768	80%	0.803	S	S	*	*			trans	63.5	143.4	147.8	-60.5	177.1	82.1	0	0	116.7
257	S	28.1	Very low	30.8	Very low	116 Å²	116	145.4 Å²	145.4	81%	0.811	80%	0.801	S	S	*	*			cis	-137.6	175.6	37.1	51.2	0	0	0	0	115.2
258	Q	28.3	Very low	30.1	Very low	172 Å²	172	145 Å²	145	80%	0.804	80%	0.796	S	S	*	*			trans	-89.7	149.8	171.7	-61	156.6	-95.5	0	0	110.8
259	E	23.6	Very low	30.6	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	80%	0.796	S	S	*	*				179.1	124.6	124.5	-96.7	-176.4	140.8	0	0	107.9
260	C	24.6	Very low	30.5	Very low	111 Å²	111	143.8 Å²	143.8	75%	0.75	79%	0.791	S	S	*	*				82.7	110.8	73.5	-167.9	0	0	0	0	113.5
261	V	26.8	Very low	30.5	Very low	140 Å²	140	138.7 Å²	138.7	85%	0.848	79%	0.786	S	S	*	*			trans	172.8	148.8	137.7	150	0	0	0	0	108.8
262	R	26.4	Very low	30.5	Very low	233 Å²	233	137.8 Å²	137.8	88%	0.879	79%	0.785	S	S	*	*			trans	-86.1	156.2	-177.2	-78.7	-176.7	169.1	115	-5.4	113.3
263	P	35.1	Very low	30.1	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	78%	0.784	S	S	*	*			trans	-77.8	159	163.6	34.8	-35.7	0	0	0	112.5
264	S	27.7	Very low	29.7	Very low	125 Å²	125	135.8 Å²	135.8	87%	0.874	78%	0.781	S	S	*	*			trans	-150.3	143.5	164.8	50.2	0	0	0	0	109.5
265	G	30.7	Very low	29.6	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	78%	0.783	S	S	*	*			cis	166.8	-178.5	-11.1	0	0	0	0	0	112.5
266	L	34.2	Very low	29.3	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	79%	0.785	S	S	*	*			trans	74	143.2	158.6	-49.6	176.4	0	0	0	116.2
267	E	28.9	Very low	29.2	Very low	149 Å²	149	134.7 Å²	134.7	70%	0.696	78%	0.778	S	S	*	*			cis	-154.2	135.1	0	-117.2	164.5	-167.6	0	0	109.3
268	V	30.9	Very low	29.2	Very low	123 Å²	123	133.6 Å²	133.6	75%	0.745	77%	0.77	S	S	*	*				76.5	145	92.4	162.9	0	0	0	0	113.9
269	P	46.6	Very low	29.2	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	78%	0.776	S	S	*	*			cis	-108.6	160	17.8	8.5	16.9	0	0	0	115.4
270	A	29.3	Very low	29.4	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	77%	0.768	S	S	*	*				71.4	136.8	61.4	0	0	0	0	0	113.4
271	V	27.9	Very low	30.1	Very low	133 Å²	133	132.7 Å²	132.7	81%	0.806	77%	0.771	S	S	*	*			cis	-147.2	167.1	38.9	-131.7	0	0	0	0	115.2
272	S	28.6	Very low	30.2	Very low	100 Å²	100	131 Å²	131	70%	0.699	77%	0.765	S	S	*	*			trans	-18.7	159.6	159.9	56.2	0	0	0	0	120.6
273	S	27.4	Very low	30.3	Very low	108 Å²	108	123.4 Å²	123.4	76%	0.755	76%	0.759	S	S	*	*			cis	-160.7	-160.7	7.5	29.1	0	0	0	0	109.3
274	V	25.9	Very low	30	Very low	132 Å²	132	124.9 Å²	124.9	80%	0.8	76%	0.759	S	S	*	*			cis	-146.9	-155.7	20.9	-166.3	0	0	0	0	110.2
275	S	27.6	Very low	29.9	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	75%	0.753	S	S	*	*			trans	-146.5	177.5	-174.2	-45.4	0	0	0	0	113.8
276	R	28.7	Very low	29.7	Very low	231 Å²	231	127.9 Å²	127.9	87%	0.872	76%	0.755	S	S	*	*			trans	87.7	149.2	167.2	-68.1	-177.1	130	162	4.5	117.7
277	D	26	Very low	29.7	Very low	115 Å²	115	126.4 Å²	126.4	62%	0.615	76%	0.755	S	S	*	*			cis	-148.1	165	-3.2	-131.2	-47.8	0	0	0	114.9
278	S	28.5	Very low	29.7	Very low	93 Å²	93	124.7 Å²	124.7	65%	0.65	76%	0.759	S	S	*	*			trans	-23.7	142.2	171.8	-50.6	0	0	0	0	121.7
279	L	28.4	Very low	29.6	Very low	175 Å²	175	124.2 Å²	124.2	92%	0.916	76%	0.761	S	S	*	*				178.1	151.2	104.4	-91.3	172	0	0	0	114.9
280	E	27.2	Very low	28.8	Very low	150 Å²	150	124.8 Å²	124.8	70%	0.701	76%	0.763	S	S	*	*			trans	-98.1	173.5	173.3	-91.9	-83.5	141.6	0	0	109.9	S282	E280-S282 PolarHBondContact OE2-N 3.49Å; E280-S282 PolarHBondContact OE2-OG 3.44Å
281	P	39.5	Very low	28.8	Very low	124 Å²	124	125.9 Å²	125.9	81%	0.805	76%	0.761	S	S	*	*			cis	-138	175.5	27.1	42.2	-22.5	0	0	0	119.6
282	S	29.1	Very low	28.7	Very low	104 Å²	104	129.9 Å²	129.9	73%	0.727	76%	0.761	S	S	*	*			trans	-96.6	159.2	-174.7	43.9	0	0	0	0	115.5	E280	E280-S282 PolarHBondContact OE2-N 3.49Å; E280-S282 PolarHBondContact OE2-OG 3.44Å
283	G	28.1	Very low	28.5	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	76%	0.76	S	S	*	*			trans	179.3	105	174.2	0	0	0	0	0	117.3
284	L	28.5	Very low	28.5	Very low	159 Å²	159	133.4 Å²	133.4	83%	0.832	77%	0.769	S	S	*	*			trans	-1.3	140.2	153.8	-47.5	172.1	0	0	0	118.6
285	M	26.5	Very low	28.7	Very low	151 Å²	151	132.8 Å²	132.8	74%	0.744	77%	0.766	S	S	*	*				-166.9	175.6	63.3	-111.2	-64.4	106.1	0	0	114.4
286	S	26.1	Very low	28.8	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	77%	0.769	S	S	*	*			trans	-22.2	160.7	179.5	-59.6	0	0	0	0	123.9
287	P	34.9	Very low	28.9	Very low	124 Å²	124	132.4 Å²	132.4	81%	0.805	76%	0.764	S	S	*	*			trans	-108.9	144.5	-168.5	39.5	-30.7	0	0	0	116.5
288	S	28.3	Very low	29.3	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	78%	0.778	S	S	*	*			trans	-164.5	145.4	140.4	53	0	0	0	0	112.1
289	S	28.7	Very low	29.3	Very low	112 Å²	112	139.2 Å²	139.2	78%	0.783	79%	0.787	S	S	*	*			trans	59.2	113.7	177.1	71.7	0	0	0	0	118.6
290	T	28.8	Very low	29.3	Very low	128 Å²	128	140.7 Å²	140.7	79%	0.785	79%	0.788	S	S	*	*				164.7	103.8	128	-73.8	0	0	0	0	112.2
291	V	29.4	Very low	29.6	Very low	109 Å²	109	138.2 Å²	138.2	66%	0.661	79%	0.787	S	S	*	*			trans	62.3	148.7	139	179.5	0	0	0	0	120.8
292	R	25.9	Very low	29.4	Very low	216 Å²	216	140.3 Å²	140.3	82%	0.815	79%	0.791	S	S	*	*			trans	-3.6	145.7	158.8	-57	173.7	-156.7	109.9	-2.1	118.1
293	C	25.7	Very low	29.5	Very low	99 Å²	99	139.9 Å²	139.9	67%	0.669	78%	0.781	S	S	*	*			cis	-170.2	143.7	-2.2	-106	0	0	0	0	108.4
294	L	27.7	Very low	29.9	Very low	183 Å²	183	143.4 Å²	143.4	96%	0.958	78%	0.781	S	S	*	*			trans	-142.8	113.2	148.6	-83.9	-174.7	0	0	0	109.7
295	T	29.2	Very low	30.1	Very low	119 Å²	119	139 Å²	139	73%	0.73	77%	0.768	S	S	*	*			trans	-101.9	135	175.2	46	0	0	0	0	110
296	K	30.2	Very low	30.7	Very low	185 Å²	185	134.9 Å²	134.9	80%	0.804	75%	0.754	S	S	*	*				-176.4	160.7	123.1	-105	173.6	-178.1	-177.2	0	114.3
297	D	29.3	Very low	31.3	Very low	146 Å²	146	134 Å²	134	78%	0.781	75%	0.752	S	S	*	*	S	Bend	trans	73.3	144.3	164.1	-52.4	-23.9	0	0	0	119
298	L	34.8	Very low	31.3	Very low	171 Å²	171	134.2 Å²	134.2	90%	0.895	75%	0.752	S	S	*	*			trans	69.6	52.5	-179.4	-59.2	176	0	0	0	118.1
299	Q	28.2	Very low	31.7	Very low	180 Å²	180	132.3 Å²	132.3	84%	0.841	74%	0.738	S	S	*	*			trans	-142.5	96.6	154.6	-115.2	165.1	-3.9	0	0	112.6
300	H	30.3	Very low	32	Very low	206 Å²	206	131 Å²	131	95%	0.954	74%	0.742	S	S	*	*			trans	-94.4	77.5	163.6	-80.7	-87.1	0	0	0	109.5
301	S	33.1	Very low	32.4	Very low	97 Å²	97	132 Å²	132	68%	0.678	74%	0.743	S	S	*	*			trans	-95.6	120.3	168.3	52.6	0	0	0	0	109.9	D303	S301-D303 PolarHBondContact O-N 2.75Å
302	L	35.9	Very low	32.6	Very low	168 Å²	168	135.2 Å²	135.2	88%	0.88	75%	0.748	S	S	*	*			trans	-69	108.6	170.9	-76.2	163.6	0	0	0	109.4	L304	L302-L304 PolarHBondContact O-N 3.05Å
303	D	30.8	Very low	32.9	Very low	96 Å²	96	131.5 Å²	131.5	51%	0.513	75%	0.749	S	S	.	*			trans	-76.3	113.7	168.5	172.9	37.6	0	0	0	110.1	S301 A305 S306	S301-D303 PolarHBondContact O-N 2.75Å; D303-A305 WeakPolarHBondContact OD1-CB 3.33Å; D303-A305 PolarHBondContact OD1-N 3.47Å; D303-S306 VanDerWaalsContact OD2-CB 3.24Å; D303-S306 WeakPolarHBondContact OD2-CB 3.4Å; D303-S306 PolarHBondContact OD2-N 2.97Å; D303-S306 PolarHBondContact OD2-OG 2.83Å
304	L	36.2	Very low	33	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	76%	0.757	S	S	*	*	S	Bend	trans	-81.6	-13.6	177.1	-83.3	142.6	0	0	0	113.2	L302	L302-L304 PolarHBondContact O-N 3.05Å
305	A	33.2	Very low	33	Very low	67 Å²	67	130.6 Å²	130.6	55%	0.554	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-73.7	-35.6	176.6	0	0	0	0	0	112.2	D303 A307 T308	D303-A305 WeakPolarHBondContact OD1-CB 3.33Å; D303-A305 PolarHBondContact OD1-N 3.47Å; A305-A307 PolarHBondContact O-N 3.49Å; A305-A307 VanDerWaalsContact O-N 3.09Å; A305-T308 PolarHBondContact O-OG1 2.81Å
306	S	38.6	Very low	33.1	Very low	65 Å²	65	129.3 Å²	129.3	46%	0.455	75%	0.75	S	S	.	*	G	3₁₀ helix	trans	-64.9	-7.2	177	-70.3	0	0	0	0	115.4	D303	D303-S306 VanDerWaalsContact OD2-CB 3.24Å; D303-S306 WeakPolarHBondContact OD2-CB 3.4Å; D303-S306 PolarHBondContact OD2-N 2.97Å; D303-S306 PolarHBondContact OD2-OG 2.83Å
307	A	37.4	Very low	33.1	Very low	82 Å²	82	129.3 Å²	129.3	68%	0.678	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-90.2	-14.1	-175.3	0	0	0	0	0	114.4	A305	A305-A307 PolarHBondContact O-N 3.49Å; A305-A307 VanDerWaalsContact O-N 3.09Å
308	T	34.9	Very low	33.1	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	-9.8	-176.9	52.4	0	0	0	0	114.1	A305	A305-T308 PolarHBondContact O-OG1 2.81Å
309	S	37.2	Very low	32.9	Very low	72 Å²	72	130.5 Å²	130.5	50%	0.503	75%	0.754	S	S	.	*			trans	-83.4	111.3	168.6	56	0	0	0	0	110.6	D311	S309-D311 PolarHBondContact O-N 2.9Å
310	G	36.3	Very low	33.1	Very low	84 Å²	84	131 Å²	131	87%	0.866	76%	0.756	S	S	*	*			trans	-69.5	15	-174.4	0	0	0	0	0	117.4	K312	G310-K312 PolarHBondContact O-N 2.99Å
311	D	36.8	Very low	33.1	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	75%	0.753	S	S	*	*			trans	-101	66.8	-169.8	-80.5	-45.2	0	0	0	113.7	S309	S309-D311 PolarHBondContact O-N 2.9Å
312	K	32.7	Very low	33	Very low	176 Å²	176	132.7 Å²	132.7	77%	0.765	76%	0.759	S	S	*	*			trans	-139.3	92.4	160.9	-70.4	-168.2	-179.9	168.9	0	112.2	G310 V314	G310-K312 PolarHBondContact O-N 2.99Å; K312-V314 PolarHBondContact O-N 2.91Å
313	V	32.6	Very low	33.7	Very low	138 Å²	138	129.9 Å²	129.9	84%	0.836	75%	0.751	S	S	*	*			trans	-65.9	127.2	167.2	177.9	0	0	0	0	109.3	T315	V313-T315 PolarHBondContact O-N 3.18Å
314	V	27.8	Very low	33.6	Very low	137 Å²	137	129.2 Å²	129.2	83%	0.83	76%	0.759	S	S	*	*			trans	-84.2	106.6	173.6	179.5	0	0	0	0	109	K312	K312-V314 PolarHBondContact O-N 2.91Å
315	T	27.3	Very low	33.4	Very low	127 Å²	127	127.4 Å²	127.4	78%	0.779	76%	0.759	S	S	*	*			trans	-75.6	121.1	170.2	49.7	0	0	0	0	110.1	V313	V313-T315 PolarHBondContact O-N 3.18Å
316	A	31.1	Very low	33.3	Very low	92 Å²	92	129.1 Å²	129.1	76%	0.76	77%	0.766	S	S	*	*			trans	-67.4	154.5	169.2	0	0	0	0	0	111.1
317	Q	30	Very low	33.2	Very low	184 Å²	184	135 Å²	135	86%	0.86	79%	0.787	S	S	*	*			trans	-100	102.9	-179.4	-178.3	179.4	-6.6	0	0	109.7
318	E	30.4	Very low	32.9	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	80%	0.797	S	S	*	*			trans	-108.4	155.5	169.6	-65.9	-167.2	135.6	0	0	110.6
319	N	30.3	Very low	33.1	Very low	157 Å²	157	135 Å²	135	84%	0.84	80%	0.801	S	S	*	*			trans	-90.3	163.4	-175.4	-66.9	-51.8	0	0	0	112.1
320	E	32.6	Very low	32.9	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	82%	0.815	S	S	*	*			trans	-66.2	136	-174.7	-55.2	174.7	125	0	0	113.7
321	D	30.4	Very low	32.8	Very low	167 Å²	167	140.5 Å²	140.5	89%	0.893	82%	0.817	S	S	*	*				-167	142.6	128.1	-103.8	-29.2	0	0	0	110.9
322	E	31.7	Very low	32.7	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	82%	0.819	S	S	*	*			trans	-116.1	169.3	-178	-89.6	-97.8	-169.5	0	0	109.7
323	P	50.3	Low	33.3	Very low	110 Å²	110	136.5 Å²	136.5	71%	0.714	81%	0.814	S	S	*	*			cis	-136.2	179.5	0.8	38	-19	0	0	0	117.3
324	A	28.9	Very low	34	Very low	82 Å²	82	132.5 Å²	132.5	68%	0.678	80%	0.801	S	S	*	*			trans	101.4	124.8	136.6	0	0	0	0	0	122.9
325	S	30.7	Very low	35.2	Very low	109 Å²	109	132.6 Å²	132.6	76%	0.762	81%	0.805	S	S	*	*			trans	109.5	129.9	132.2	76.6	0	0	0	0	121.9
326	S	32.6	Very low	36.7	Very low	103 Å²	103	132.8 Å²	132.8	72%	0.72	80%	0.797	S	S	*	*			trans	59	106.8	152.4	49	0	0	0	0	122.6
327	Q	34.6	Very low	38.6	Very low	188 Å²	188	133 Å²	133	88%	0.879	78%	0.778	S	S	*	*				34.4	115.5	125.9	-62.3	-178.9	-8.6	0	0	120.2
328	S	32.6	Very low	40.7	Very low	128 Å²	128	127.4 Å²	127.4	90%	0.895	76%	0.758	S	S	*	*				-176.7	169.2	108.5	42.1	0	0	0	0	111
329	G	38.1	Very low	43	Very low	85 Å²	85	124.1 Å²	124.1	88%	0.876	74%	0.737	S	S	*	*			trans	-83.2	150.1	-166.9	0	0	0	0	0	115.5
330	G	33	Very low	45.1	Very low	78 Å²	78	118.1 Å²	118.1	80%	0.804	71%	0.708	S	S	*	*			trans	-153.9	160.4	172.4	0	0	0	0	0	110.6
331	Q	34.8	Very low	46.9	Very low	192 Å²	192	117.9 Å²	117.9	90%	0.897	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-65.1	145.2	-179.4	-67.2	164.7	-11	0	0	111.3	P333	Q331-P333 VanDerWaalsContact O-CD 3.3Å; Q331-P333 WeakPolarHBondContact O-CD 3.37Å
332	T	34.9	Very low	49.2	Very low	138 Å²	138	115 Å²	115	85%	0.847	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.2	116.5	167.2	44.8	0	0	0	0	109.5
333	P	44.3	Very low	51.1	Low	104 Å²	104	109.1 Å²	109.1	68%	0.675	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.3	134.5	174.2	29.3	-33	0	0	0	109.4	Q331	Q331-P333 VanDerWaalsContact O-CD 3.3Å; Q331-P333 WeakPolarHBondContact O-CD 3.37Å
334	G	47.8	Very low	52.8	Low	54 Å²	54	110 Å²	110	56%	0.557	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-63.3	166.1	165.5	0	0	0	0	0	111.5	Q336	G334-Q336 PolarHBondContact O-N 2.97Å; G334-Q336 VanDerWaalsContact O-N 3.09Å
335	P	52.9	Low	55.3	Low	139 Å²	139	110.4 Å²	110.4	90%	0.903	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-55.5	118.6	179.3	23.3	-33.5	0	0	0	110.4
336	Q	59.2	Low	57.6	Low	132 Å²	132	106.7 Å²	106.7	62%	0.617	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-72	133.6	-177.3	-65.3	-165.5	12.4	0	0	110.6	G334	G334-Q336 PolarHBondContact O-N 2.97Å; G334-Q336 VanDerWaalsContact O-N 3.09Å
337	R	71.3	Confident	60	Low	95 Å²	95	104.1 Å²	104.1	36%	0.358	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-61.4	140.2	178.2	-160.9	175.3	-153.6	174.3	4.6	110.5	R339 E345 L346 D348 I351	R337-R339 PolarHBondContact O-N 3.04Å; R337-E345 HydrophobicContact CB-CG 4.46Å; R337-L346 WeakPolarHBondContact CD-O 3.47Å; R337-L346 PolarHBondContact NE-O 3.47Å; R337-D348 IonicContact CZ-OD1 2.61Å; R337-D348 IonicContact CZ-OD2 2.75Å; R337-D348 IonicContact NE-OD1 3.93Å; R337-D348 IonicContact NH2-OD1 3.38Å; R337-D348 PolarHBondContact NH2-OD1 2.78Å; R337-D348 IonicContact NH2-OD2 3.36Å; R337-D348 PolarHBondContact NH2-OD2 3.46Å; R337-I351 HydrophobicContact CG-CD1 3.93Å
338	P	73.6	Confident	61.8	Low	68 Å²	68	99.9 Å²	99.9	44%	0.442	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-49.8	135.9	172.7	-30.2	36.8	0	0	0	112.3	L346 I351	P338-L346 HydrophobicContact CB-CD1 4.14Å; P338-L346 WeakPolarHBondContact O-CB 3.18Å; P338-L346 PolarHBondContact O-N 2.92Å; P338-I351 HydrophobicContact CB-CG1 4.37Å; P338-I351 HydrophobicContact CG-CD1 4.25Å; P338-I351 HydrophobicContact CG-CG1 4.33Å
339	R	77.9	Confident	63.9	Low	116 Å²	116	100.6 Å²	100.6	44%	0.438	59%	0.592	S	S	.	*	B	Isolated β-bridge	trans	-114.3	143.6	179.5	-72.2	178.9	-178.7	124.4	6.1	110.6	R337 G343 R344 E345	R337-R339 PolarHBondContact O-N 3.04Å; R339-G343 WeakPolarHBondContact CD-O 3.1Å; R339-R344 CarbonylContact C-O 3.56Å; R339-R344 WeakPolarHBondContact CA-O 3.39Å; R339-E345 HydrophobicContact CG-CB 4.42Å; R339-E345 HydrophobicContact CG-CG 3.67Å; R339-E345 IonicContact CZ-OE1 3.3Å; R339-E345 IonicContact NE-OE1 2.74Å; R339-E345 PolarHBondContact NE-OE1 3.38Å; R339-E345 IonicContact NH2-OE1 2.71Å; R339-E345 PolarHBondContact NH2-OE1 2.9Å
340	S	74.6	Confident	65.8	Low	31 Å²	31	99.6 Å²	99.6	22%	0.217	57%	0.565	C	S	.	*			trans	-63.8	166.8	170.7	62.5	0	0	0	0	112.3	S342 G343 R344	S340-S342 PolarHBondContact O-N 3.32Å; S340-S342 PolarHBondContact OG-N 2.88Å; S340-S342 PolarHBondContact OG-OG 3.4Å; S340-S342 VanDerWaalsContact OG-OG 3.12Å; S340-G343 PolarHBondContact O-N 2.91Å; S340-R344 PolarHBondContact N-O 3.07Å; S340-R344 WeakPolarHBondContact OG-CB 3.25Å; S340-R344 PolarHBondContact OG-N 3Å; S340-R344 PolarHBondContact OG-O 3.17Å
341	N	71.3	Confident	68	Low	185 Å²	185	97.6 Å²	97.6	99%	0.989	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-9	173.9	-57.9	-2.1	0	0	0	114.2
342	S	77.8	Confident	69.9	Low	105 Å²	105	91.9 Å²	91.9	73%	0.734	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	9.2	172.9	62.3	0	0	0	0	113.7	S340 R344	S340-S342 PolarHBondContact O-N 3.32Å; S340-S342 PolarHBondContact OG-N 2.88Å; S340-S342 PolarHBondContact OG-OG 3.4Å; S340-S342 VanDerWaalsContact OG-OG 3.12Å; S342-R344 VanDerWaalsContact C-N 3.27Å; S342-R344 PolarHBondContact O-N 3Å
343	G	73	Confident	71.9	Confident	49 Å²	49	87.6 Å²	87.6	51%	0.505	49%	0.489	S	S	.	.	S	Bend	trans	79.3	-2.5	179.3	0	0	0	0	0	115.3	R339 S340	R339-G343 WeakPolarHBondContact CD-O 3.1Å; S340-G343 PolarHBondContact O-N 2.91Å
344	R	85.6	Confident	73.4	Confident	128 Å²	128	86.1 Å²	86.1	48%	0.483	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-70.6	132.5	172.3	168.1	176.8	170.6	-104.9	-13.2	110.3	R339 S340 S342 E350	R339-R344 CarbonylContact C-O 3.56Å; R339-R344 WeakPolarHBondContact CA-O 3.39Å; S340-R344 PolarHBondContact N-O 3.07Å; S340-R344 WeakPolarHBondContact OG-CB 3.25Å; S340-R344 PolarHBondContact OG-N 3Å; S340-R344 PolarHBondContact OG-O 3.17Å; S342-R344 VanDerWaalsContact C-N 3.27Å; S342-R344 PolarHBondContact O-N 3Å; R344-E350 IonicContact CZ-OE1 3.5Å; R344-E350 IonicContact CZ-OE2 3.53Å; R344-E350 IonicContact NH1-OE1 2.73Å; R344-E350 PolarHBondContact NH1-OE1 2.79Å; R344-E350 IonicContact NH1-OE2 3.38Å; R344-E350 PolarHBondContact NH1-OE2 2.88Å; R344-E350 IonicContact NH2-OE1 3.34Å; R344-E350 PolarHBondContact NH2-OE1 2.94Å; R344-E350 IonicContact NH2-OE2 3.06Å; R344-E350 PolarHBondContact NH2-OE2 2.87Å
345	E	81.9	Confident	74.9	Confident	92 Å²	92	86.7 Å²	86.7	43%	0.43	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-64.3	131.7	170.4	-70.8	175.2	-164.6	0	0	111	R337 R339	R337-E345 HydrophobicContact CB-CG 4.46Å; R339-E345 HydrophobicContact CG-CB 4.42Å; R339-E345 HydrophobicContact CG-CG 3.67Å; R339-E345 IonicContact CZ-OE1 3.3Å; R339-E345 IonicContact NE-OE1 2.74Å; R339-E345 PolarHBondContact NE-OE1 3.38Å; R339-E345 IonicContact NH2-OE1 2.71Å; R339-E345 PolarHBondContact NH2-OE1 2.9Å
346	L	78.1	Confident	76.1	Confident	31 Å²	31	84.9 Å²	84.9	16%	0.162	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-76.3	144.1	-178.9	-62.3	178.3	0	0	0	110.6	R337 P338 E350 I351	R337-L346 WeakPolarHBondContact CD-O 3.47Å; R337-L346 PolarHBondContact NE-O 3.47Å; P338-L346 HydrophobicContact CB-CD1 4.14Å; P338-L346 WeakPolarHBondContact O-CB 3.18Å; P338-L346 PolarHBondContact O-N 2.92Å; L346-E350 WeakPolarHBondContact CA-OE2 3.21Å; L346-E350 HydrophobicContact CB-CB 3.98Å; L346-E350 HydrophobicContact CD2-CB 4.14Å; L346-I351 HydrophobicContact CB-CD1 4.28Å; L346-I351 HydrophobicContact CB-CG1 3.78Å; L346-I351 HydrophobicContact CD1-CG1 4.49Å
347	T	83.1	Confident	76.9	Confident	49 Å²	49	81.6 Å²	81.6	30%	0.301	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-71	164.6	169.3	65.1	0	0	0	0	111.1	E349 E350 I351	T347-E349 PolarHBondContact O-N 3.1Å; T347-E350 PolarHBondContact N-OE2 2.92Å; T347-E350 PolarHBondContact O-N 2.65Å; T347-E350 VanDerWaalsContact O-N 3.16Å; T347-E350 WeakPolarHBondContact OG1-CG 3.22Å; T347-E350 PolarHBondContact OG1-N 2.71Å; T347-E350 VanDerWaalsContact OG1-N 3.16Å; T347-E350 PolarHBondContact OG1-OE2 3.31Å; T347-I351 VanDerWaalsContact O-CG1 3.27Å; T347-I351 WeakPolarHBondContact O-CG1 3.19Å; T347-I351 PolarHBondContact O-N 2.8Å
348	D	71.9	Confident	76.8	Confident	98 Å²	98	81.9 Å²	81.9	52%	0.524	44%	0.444	S	S	.	.	H	α-helix	trans	-60.6	-36.2	175.5	-57.6	-55.5	0	0	0	111.5	R337 I351 L352	R337-D348 IonicContact CZ-OD1 2.61Å; R337-D348 IonicContact CZ-OD2 2.75Å; R337-D348 IonicContact NE-OD1 3.93Å; R337-D348 IonicContact NH2-OD1 3.38Å; R337-D348 PolarHBondContact NH2-OD1 2.78Å; R337-D348 IonicContact NH2-OD2 3.36Å; R337-D348 PolarHBondContact NH2-OD2 3.46Å; D348-I351 PolarHBondContact O-N 2.82Å; D348-L352 WeakPolarHBondContact O-CB 3.39Å; D348-L352 WeakPolarHBondContact O-CG 3.29Å; D348-L352 PolarHBondContact O-N 3.33Å
349	E	76	Confident	76.2	Confident	143 Å²	143	80.7 Å²	80.7	67%	0.668	43%	0.434	S	S	*	.	H	α-helix	trans	-61.2	-46.4	172.7	-61.3	172.9	175.5	0	0	112.2	T347 I351 L352 A353 I369	T347-E349 PolarHBondContact O-N 3.1Å; E349-I351 VanDerWaalsContact C-N 3.3Å; E349-I351 PolarHBondContact O-N 3.36Å; E349-L352 PolarHBondContact O-N 3.38Å; E349-A353 VanDerWaalsContact O-CB 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.12Å; E349-A353 PolarHBondContact O-N 3.36Å; E349-I369 HydrophobicContact CB-CD1 4.46Å
350	E	78.6	Confident	75.5	Confident	65 Å²	65	82.8 Å²	82.8	30%	0.304	45%	0.453	S	S	.	.	H	α-helix	trans	-63.8	-35.2	176.1	-71.9	169.2	147.9	0	0	111.4	R344 L346 T347 S354	R344-E350 IonicContact CZ-OE1 3.5Å; R344-E350 IonicContact CZ-OE2 3.53Å; R344-E350 IonicContact NH1-OE1 2.73Å; R344-E350 PolarHBondContact NH1-OE1 2.79Å; R344-E350 IonicContact NH1-OE2 3.38Å; R344-E350 PolarHBondContact NH1-OE2 2.88Å; R344-E350 IonicContact NH2-OE1 3.34Å; R344-E350 PolarHBondContact NH2-OE1 2.94Å; R344-E350 IonicContact NH2-OE2 3.06Å; R344-E350 PolarHBondContact NH2-OE2 2.87Å; L346-E350 WeakPolarHBondContact CA-OE2 3.21Å; L346-E350 HydrophobicContact CB-CB 3.98Å; L346-E350 HydrophobicContact CD2-CB 4.14Å; T347-E350 PolarHBondContact N-OE2 2.92Å; T347-E350 PolarHBondContact O-N 2.65Å; T347-E350 VanDerWaalsContact O-N 3.16Å; T347-E350 WeakPolarHBondContact OG1-CG 3.22Å; T347-E350 PolarHBondContact OG1-N 2.71Å; T347-E350 VanDerWaalsContact OG1-N 3.16Å; T347-E350 PolarHBondContact OG1-OE2 3.31Å; E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 3Å
351	I	78.9	Confident	74	Confident	35 Å²	35	85.7 Å²	85.7	18%	0.179	47%	0.466	C	S	.	.	H	α-helix	trans	-70.4	-51.2	176.2	-67.1	163.2	0	0	0	111	R337 P338 L346 T347 D348 E349 A353 S354 V355	R337-I351 HydrophobicContact CG-CD1 3.93Å; P338-I351 HydrophobicContact CB-CG1 4.37Å; P338-I351 HydrophobicContact CG-CD1 4.25Å; P338-I351 HydrophobicContact CG-CG1 4.33Å; L346-I351 HydrophobicContact CB-CD1 4.28Å; L346-I351 HydrophobicContact CB-CG1 3.78Å; L346-I351 HydrophobicContact CD1-CG1 4.49Å; T347-I351 VanDerWaalsContact O-CG1 3.27Å; T347-I351 WeakPolarHBondContact O-CG1 3.19Å; T347-I351 PolarHBondContact O-N 2.8Å; D348-I351 PolarHBondContact O-N 2.82Å; E349-I351 VanDerWaalsContact C-N 3.3Å; E349-I351 PolarHBondContact O-N 3.36Å; I351-A353 PolarHBondContact O-N 3.46Å; I351-S354 PolarHBondContact O-N 2.69Å; I351-S354 PolarHBondContact O-OG 2.9Å; I351-V355 PolarHBondContact O-N 2.79Å
352	L	74.8	Confident	73.5	Confident	72 Å²	72	80.9 Å²	80.9	38%	0.377	44%	0.443	S	S	.	.	H	α-helix	trans	-64.4	-27.1	179	-65.2	168.5	0	0	0	112.2	D348 E349 L368 I369	D348-L352 WeakPolarHBondContact O-CB 3.39Å; D348-L352 WeakPolarHBondContact O-CG 3.29Å; D348-L352 PolarHBondContact O-N 3.33Å; E349-L352 PolarHBondContact O-N 3.38Å; L352-L368 HydrophobicContact CD2-CD2 3.51Å; L352-L368 HydrophobicContact CD2-CG 3.78Å; L352-L368 WeakPolarHBondContact O-CB 3.4Å; L352-L368 PolarHBondContact O-N 2.94Å; L352-I369 HydrophobicContact CB-CB 3.88Å; L352-I369 HydrophobicContact CB-CG1 4.39Å; L352-I369 PolarHBondContact O-N 2.98Å
353	A	77.6	Confident	72.9	Confident	48 Å²	48	77.6 Å²	77.6	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-75.4	-26.2	170.2	0	0	0	0	0	113.6	E349 I351 I369	E349-A353 VanDerWaalsContact O-CB 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.12Å; E349-A353 PolarHBondContact O-N 3.36Å; I351-A353 PolarHBondContact O-N 3.46Å; A353-I369 HydrophobicContact CB-CG2 4.03Å
354	S	76.4	Confident	73	Confident	74 Å²	74	79.6 Å²	79.6	52%	0.517	42%	0.422	S	S	.	.	H	α-helix	trans	-83.6	-25.8	-178.6	75.3	0	0	0	0	114.3	E350 I351 M356	E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 3Å; I351-S354 PolarHBondContact O-N 2.69Å; I351-S354 PolarHBondContact O-OG 2.9Å; S354-M356 PolarHBondContact O-N 2.66Å
355	V	78.1	Confident	72.5	Confident	66 Å²	66	78.8 Å²	78.8	40%	0.4	42%	0.424	S	S	.	.			trans	-82.2	113.5	179.1	176.7	0	0	0	0	109.7	I351 P367 L368	I351-V355 PolarHBondContact O-N 2.79Å; V355-P367 CarbonylContact O-C 3.59Å; V355-L368 HydrophobicContact CB-CB 4.06Å; V355-L368 HydrophobicContact CB-CD2 4.01Å; V355-L368 HydrophobicContact CG1-CB 4.14Å; V355-L368 HydrophobicContact CG1-CD2 3.96Å; V355-L368 WeakPolarHBondContact O-CB 2.95Å; V355-L368 PolarHBondContact O-N 2.78Å
356	M	78.4	Confident	72.5	Confident	100 Å²	100	75 Å²	75	49%	0.493	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129	175.8	-63.6	-63.4	-66.8	0	0	111.1	S354 E365 P367	S354-M356 PolarHBondContact O-N 2.66Å; M356-E365 HydrophobicContact CE-CB 4.03Å; M356-E365 WeakPolarHBondContact CE-O 3.34Å; M356-P367 HydrophobicContact CE-CG 4.39Å; M356-P367 HydrophobicContact SD-CB 4.22Å; M356-P367 HydrophobicContact SD-CG 3.82Å
357	I	76.5	Confident	72.6	Confident	64 Å²	64	74.7 Å²	74.7	33%	0.328	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.9	172	-49.9	-174.4	0	0	0	109.2	E365 I366 L368 A371	I357-E365 WeakPolarHBondContact O-CA 3.43Å; I357-I366 PolarHBondContact N-O 3.33Å; I357-I366 PolarHBondContact O-N 3.05Å; I357-L368 HydrophobicContact CD1-CB 4.1Å; I357-L368 HydrophobicContact CD1-CD1 3.77Å; I357-L368 HydrophobicContact CD1-CG 4.49Å; I357-L368 HydrophobicContact CG1-CB 4.12Å; I357-A371 HydrophobicContact CD1-CB 3.61Å; I357-A371 HydrophobicContact CG1-CB 4.45Å
358	K	69.4	Low	72.2	Confident	101 Å²	101	74.8 Å²	74.8	44%	0.439	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.2	169.9	-167	173.2	-164.7	67.9	0	110.8	L360 G363 E364 E365	K358-L360 PolarHBondContact O-N 2.98Å; K358-G363 PolarHBondContact NZ-O 2.8Å; K358-E364 WeakPolarHBondContact CA-O 3.29Å; K358-E365 HydrophobicContact CB-CG 3.87Å; K358-E365 HydrophobicContact CD-CG 4.28Å; K358-E365 HydrophobicContact CG-CG 3.77Å; K358-E365 IonicContact NZ-OE1 3.95Å; K358-E365 PolarHBondContact NZ-OE1 2.92Å
359	N	61.2	Low	72.5	Confident	42 Å²	42	73.6 Å²	73.6	23%	0.225	40%	0.398	C	S	.	.			trans	-68.4	114.3	166.2	-177	-24.9	0	0	0	108.6	D361 T362 G363 E364	N359-D361 VanDerWaalsContact C-N 3.3Å; N359-D361 PolarHBondContact O-N 2.62Å; N359-D361 PolarHBondContact OD1-N 3.27Å; N359-T362 WeakPolarHBondContact CB-OG1 3.11Å; N359-T362 PolarHBondContact ND2-OG1 3.48Å; N359-T362 PolarHBondContact OD1-N 2.8Å; N359-G363 WeakPolarHBondContact O-CA 3.45Å; N359-G363 PolarHBondContact O-N 3.26Å; N359-E364 PolarHBondContact N-O 3.42Å
360	L	62.7	Low	72.2	Confident	160 Å²	160	71 Å²	71	84%	0.838	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.6	-176.9	-61.4	178.2	0	0	0	113.5	K358	K358-L360 PolarHBondContact O-N 2.98Å
361	D	43.8	Very low	71.3	Confident	93 Å²	93	68 Å²	68	50%	0.497	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-30.7	179.9	-70.8	-33.4	0	0	0	112	N359 R388 Y393	N359-D361 VanDerWaalsContact C-N 3.3Å; N359-D361 PolarHBondContact O-N 2.62Å; N359-D361 PolarHBondContact OD1-N 3.27Å; D361-R388 IonicContact OD2-NH2 3.67Å; D361-R388 PolarHBondContact OD2-NH2 2.79Å; D361-Y393 HydrophobicContact CB-CE1 4.01Å
362	T	59.3	Low	70.3	Confident	83 Å²	83	73.6 Å²	73.6	51%	0.509	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-18.3	179.5	69.2	0	0	0	0	114.8	N359 E364	N359-T362 WeakPolarHBondContact CB-OG1 3.11Å; N359-T362 PolarHBondContact ND2-OG1 3.48Å; N359-T362 PolarHBondContact OD1-N 2.8Å; T362-E364 PolarHBondContact O-N 2.75Å; T362-E364 WeakPolarHBondContact OG1-CB 3.24Å; T362-E364 PolarHBondContact OG1-N 2.86Å
363	G	65.4	Low	69.4	Low	36 Å²	36	78.2 Å²	78.2	37%	0.371	42%	0.417	S	S	.	.			trans	80.4	-8.9	-173.5	0	0	0	0	0	115.3	K358 N359	K358-G363 PolarHBondContact NZ-O 2.8Å; N359-G363 WeakPolarHBondContact O-CA 3.45Å; N359-G363 PolarHBondContact O-N 3.26Å
364	E	76.3	Confident	68.3	Low	91 Å²	91	81 Å²	81	43%	0.425	42%	0.42	S	S	.	.			trans	-62.9	138.4	-179.8	-166.4	-170.5	168.6	0	0	111.5	K358 N359 T362 I366 K374	K358-E364 WeakPolarHBondContact CA-O 3.29Å; N359-E364 PolarHBondContact N-O 3.42Å; T362-E364 PolarHBondContact O-N 2.75Å; T362-E364 WeakPolarHBondContact OG1-CB 3.24Å; T362-E364 PolarHBondContact OG1-N 2.86Å; E364-I366 HydrophobicContact CG-CG2 3.79Å; E364-I366 VanDerWaalsContact OE1-CG2 3.24Å; E364-I366 WeakPolarHBondContact OE1-CG2 3.25Å; E364-K374 IonicContact OE1-NZ 3.36Å; E364-K374 PolarHBondContact OE1-NZ 3.43Å
365	E	73.6	Confident	66.8	Low	112 Å²	112	82.3 Å²	82.3	52%	0.523	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.3	173.8	-73.8	173.4	-164.2	0	0	109.6	M356 I357 K358	M356-E365 HydrophobicContact CE-CB 4.03Å; M356-E365 WeakPolarHBondContact CE-O 3.34Å; I357-E365 WeakPolarHBondContact O-CA 3.43Å; K358-E365 HydrophobicContact CB-CG 3.87Å; K358-E365 HydrophobicContact CD-CG 4.28Å; K358-E365 HydrophobicContact CG-CG 3.77Å; K358-E365 IonicContact NZ-OE1 3.95Å; K358-E365 PolarHBondContact NZ-OE1 2.92Å
366	I	81.8	Confident	65.3	Low	11 Å²	11	82.6 Å²	82.6	6%	0.056	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.6	-173.2	64.3	-178.8	0	0	0	110.4	I357 E364 A371 K374	I357-I366 PolarHBondContact N-O 3.33Å; I357-I366 PolarHBondContact O-N 3.05Å; E364-I366 HydrophobicContact CG-CG2 3.79Å; E364-I366 VanDerWaalsContact OE1-CG2 3.24Å; E364-I366 WeakPolarHBondContact OE1-CG2 3.25Å; I366-A371 HydrophobicContact CD1-CB 3.92Å; I366-A371 HydrophobicContact CG1-CB 4.2Å; I366-K374 HydrophobicContact CB-CD 4.34Å; I366-K374 HydrophobicContact CD1-CB 4Å; I366-K374 HydrophobicContact CD1-CD 3.91Å; I366-K374 HydrophobicContact CG2-CD 3.83Å
367	P	81.1	Confident	63.7	Low	26 Å²	26	83.7 Å²	83.7	17%	0.169	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	141.6	171.7	-23.8	34.3	0	0	0	111.1	V355 M356 I369 Q370 A371	V355-P367 CarbonylContact O-C 3.59Å; M356-P367 HydrophobicContact CE-CG 4.39Å; M356-P367 HydrophobicContact SD-CB 4.22Å; M356-P367 HydrophobicContact SD-CG 3.82Å; P367-I369 HydrophobicContact CB-CG2 3.93Å; P367-I369 PolarHBondContact O-N 2.97Å; P367-Q370 HydrophobicContact CB-CB 4.49Å; P367-Q370 HydrophobicContact CB-CG 4.41Å; P367-Q370 HydrophobicContact CG-CG 4.48Å; P367-Q370 CarbonylContact O-C 3.58Å; P367-Q370 WeakPolarHBondContact O-CA 3.28Å; P367-Q370 PolarHBondContact O-N 2.9Å; P367-A371 PolarHBondContact O-N 2.83Å
368	L	74.3	Confident	62.5	Low	50 Å²	50	81.9 Å²	81.9	26%	0.262	43%	0.433	S	S	.	.	H	α-helix	trans	-55.8	-38.4	177.4	162.9	60.4	0	0	0	111.5	L352 V355 I357 Q370 A371	L352-L368 HydrophobicContact CD2-CD2 3.51Å; L352-L368 HydrophobicContact CD2-CG 3.78Å; L352-L368 WeakPolarHBondContact O-CB 3.4Å; L352-L368 PolarHBondContact O-N 2.94Å; V355-L368 HydrophobicContact CB-CB 4.06Å; V355-L368 HydrophobicContact CB-CD2 4.01Å; V355-L368 HydrophobicContact CG1-CB 4.14Å; V355-L368 HydrophobicContact CG1-CD2 3.96Å; V355-L368 WeakPolarHBondContact O-CB 2.95Å; V355-L368 PolarHBondContact O-N 2.78Å; I357-L368 HydrophobicContact CD1-CB 4.1Å; I357-L368 HydrophobicContact CD1-CD1 3.77Å; I357-L368 HydrophobicContact CD1-CG 4.49Å; I357-L368 HydrophobicContact CG1-CB 4.12Å; L368-Q370 PolarHBondContact O-N 2.93Å; L368-A371 WeakPolarHBondContact O-CB 3.24Å; L368-A371 PolarHBondContact O-N 2.85Å
369	I	77.6	Confident	62.2	Low	73 Å²	73	78.8 Å²	78.8	37%	0.374	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-26	173	-162.7	168.5	0	0	0	114.1	E349 L352 A353 P367	E349-I369 HydrophobicContact CB-CD1 4.46Å; L352-I369 HydrophobicContact CB-CB 3.88Å; L352-I369 HydrophobicContact CB-CG1 4.39Å; L352-I369 PolarHBondContact O-N 2.98Å; A353-I369 HydrophobicContact CB-CG2 4.03Å; P367-I369 HydrophobicContact CB-CG2 3.93Å; P367-I369 PolarHBondContact O-N 2.97Å
370	Q	70.7	Confident	62.8	Low	90 Å²	90	76.8 Å²	76.8	42%	0.421	41%	0.411	S	S	.	.	H	α-helix	trans	-96.8	-11	173.5	-65.1	-178	1.8	0	0	112.5	P367 L368 E373 K374	P367-Q370 HydrophobicContact CB-CB 4.49Å; P367-Q370 HydrophobicContact CB-CG 4.41Å; P367-Q370 HydrophobicContact CG-CG 4.48Å; P367-Q370 CarbonylContact O-C 3.58Å; P367-Q370 WeakPolarHBondContact O-CA 3.28Å; P367-Q370 PolarHBondContact O-N 2.9Å; L368-Q370 PolarHBondContact O-N 2.93Å; Q370-E373 PolarHBondContact O-N 2.95Å; Q370-K374 PolarHBondContact O-N 2.98Å; Q370-K374 VanDerWaalsContact O-N 3.1Å
371	A	60.6	Low	63.6	Low	1 Å²	1	71.1 Å²	71.1	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-69.3	-35.6	-178.6	0	0	0	0	0	111.4	I357 I366 P367 L368 E373 K374 L375	I357-A371 HydrophobicContact CD1-CB 3.61Å; I357-A371 HydrophobicContact CG1-CB 4.45Å; I366-A371 HydrophobicContact CD1-CB 3.92Å; I366-A371 HydrophobicContact CG1-CB 4.2Å; P367-A371 PolarHBondContact O-N 2.83Å; L368-A371 WeakPolarHBondContact O-CB 3.24Å; L368-A371 PolarHBondContact O-N 2.85Å; A371-E373 VanDerWaalsContact C-N 3.28Å; A371-E373 PolarHBondContact O-N 2.78Å; A371-K374 PolarHBondContact O-N 2.96Å; A371-L375 HydrophobicContact CB-CD1 4.2Å; A371-L375 WeakPolarHBondContact O-CA 3.42Å; A371-L375 WeakPolarHBondContact O-CB 3.32Å; A371-L375 WeakPolarHBondContact O-CD1 3.35Å; A371-L375 WeakPolarHBondContact O-CG 3.43Å; A371-L375 PolarHBondContact O-N 2.7Å
372	E	56.4	Low	65.4	Low	152 Å²	152	66.7 Å²	66.7	71%	0.71	36%	0.36	S	S	*	.	H	α-helix	trans	-67	-27.5	176.1	-60.8	-162.2	154.7	0	0	113.4
373	E	56.2	Low	66.4	Low	169 Å²	169	63 Å²	63	79%	0.79	34%	0.337	S	S	*	.	H	α-helix	trans	-80.9	-33.9	175	-60.4	-167.6	140.9	0	0	112.9	Q370 A371	Q370-E373 PolarHBondContact O-N 2.95Å; A371-E373 VanDerWaalsContact C-N 3.28Å; A371-E373 PolarHBondContact O-N 2.78Å
374	K	53.9	Low	67.1	Low	108 Å²	108	64 Å²	64	47%	0.47	33%	0.333	S	S	.	.	H	α-helix	trans	-86.9	-31.2	179.9	-75.5	-176.7	170.6	-176.9	0	113.7	E364 I366 Q370 A371	E364-K374 IonicContact OE1-NZ 3.36Å; E364-K374 PolarHBondContact OE1-NZ 3.43Å; I366-K374 HydrophobicContact CB-CD 4.34Å; I366-K374 HydrophobicContact CD1-CB 4Å; I366-K374 HydrophobicContact CD1-CD 3.91Å; I366-K374 HydrophobicContact CG2-CD 3.83Å; Q370-K374 PolarHBondContact O-N 2.98Å; Q370-K374 VanDerWaalsContact O-N 3.1Å; A371-K374 PolarHBondContact O-N 2.96Å
375	L	45.8	Very low	67.3	Low	100 Å²	100	63 Å²	63	52%	0.524	33%	0.329	S	S	.	.	S	Bend	trans	-72	132	173.7	-71.3	169.2	0	0	0	109	A371 T377	A371-L375 HydrophobicContact CB-CD1 4.2Å; A371-L375 WeakPolarHBondContact O-CA 3.42Å; A371-L375 WeakPolarHBondContact O-CB 3.32Å; A371-L375 WeakPolarHBondContact O-CD1 3.35Å; A371-L375 WeakPolarHBondContact O-CG 3.43Å; A371-L375 PolarHBondContact O-N 2.7Å; L375-T377 PolarHBondContact O-N 2.56Å
376	P	46.7	Very low	67.7	Low	72 Å²	72	57.7 Å²	57.7	47%	0.468	30%	0.304	S	S	.	.			trans	-63.4	101.1	-178.1	-26.2	36.1	0	0	0	113.2	G378 I379	P376-G378 PolarHBondContact O-N 2.89Å; P376-G378 VanDerWaalsContact O-N 3.12Å; P376-I379 HydrophobicContact CB-CB 4.46Å; P376-I379 HydrophobicContact CB-CD1 3.32Å; P376-I379 HydrophobicContact CB-CG1 3.61Å; P376-I379 HydrophobicContact CG-CD1 4.2Å; P376-I379 PolarHBondContact O-N 3.34Å
377	T	45.1	Very low	67.5	Low	123 Å²	123	59 Å²	59	76%	0.755	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	115.6	-175.4	57.7	0	0	0	0	111.9	L375 I379	L375-T377 PolarHBondContact O-N 2.56Å; T377-I379 PolarHBondContact O-N 3.26Å
378	G	51.6	Low	67.4	Low	26 Å²	26	64.4 Å²	64.4	27%	0.268	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	24.5	172.7	0	0	0	0	0	116.4	P376 N380 F897	P376-G378 PolarHBondContact O-N 2.89Å; P376-G378 VanDerWaalsContact O-N 3.12Å; G378-N380 PolarHBondContact O-N 3.28Å; G378-N380 VanDerWaalsContact O-N 3.13Å; G378-F897 VanDerWaalsContact CA-CZ 3.49Å; G378-F897 WeakPolarHBondContact O-CE2 3.46Å
379	I	62.6	Low	67.7	Low	36 Å²	36	66.6 Å²	66.6	19%	0.185	33%	0.332	C	S	.	.			trans	-70.6	112.4	171.2	-60.7	-167.4	0	0	0	110.4	P376 T377 T383 L384	P376-I379 HydrophobicContact CB-CB 4.46Å; P376-I379 HydrophobicContact CB-CD1 3.32Å; P376-I379 HydrophobicContact CB-CG1 3.61Å; P376-I379 HydrophobicContact CG-CD1 4.2Å; P376-I379 PolarHBondContact O-N 3.34Å; T377-I379 PolarHBondContact O-N 3.26Å; I379-T383 HydrophobicContact CG2-CG2 4.04Å; I379-L384 HydrophobicContact CB-CD2 4.08Å; I379-L384 HydrophobicContact CB-CG 4.31Å; I379-L384 HydrophobicContact CG2-CD2 3.72Å; I379-L384 HydrophobicContact CG2-CG 3.78Å
380	N	73.8	Confident	67.6	Low	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.324	C	S	.	.			trans	-47.5	134.1	171.2	170.1	-62.1	0	0	0	112.1	G378 L382 T383 L384 W513	G378-N380 PolarHBondContact O-N 3.28Å; G378-N380 VanDerWaalsContact O-N 3.13Å; N380-L382 PolarHBondContact O-N 3.08Å; N380-L382 VanDerWaalsContact O-N 3.11Å; N380-L382 WeakPolarHBondContact OD1-CA 3.46Å; N380-L382 WeakPolarHBondContact OD1-CB 3.49Å; N380-L382 PolarHBondContact OD1-N 3.45Å; N380-T383 WeakPolarHBondContact O-CA 3.4Å; N380-T383 WeakPolarHBondContact O-CB 3.46Å; N380-T383 PolarHBondContact O-N 2.93Å; N380-L384 PolarHBondContact O-N 2.9Å; N380-W513 HydrophobicContact CB-CH2 3.49Å; N380-W513 VanDerWaalsContact CB-CH2 3.49Å; N380-W513 HydrophobicContact CB-CZ2 4.06Å; N380-W513 HydrophobicContact CB-CZ3 3.75Å; N380-W513 WeakPolarHBondContact ND2-CH2 3.5Å; N380-W513 WeakPolarHBondContact ND2-CZ2 3.3Å; N380-W513 WeakPolarHBondContact ND2-CZ3 3.38Å
381	P	78.3	Confident	67.4	Low	40 Å²	40	67 Å²	67	26%	0.26	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-26.7	-173.6	15.5	-25	0	0	0	114.7	T383 L384 H385 D608 M625	P381-T383 PolarHBondContact O-N 2.91Å; P381-L384 PolarHBondContact O-N 3.34Å; P381-H385 WeakPolarHBondContact O-CB 3.35Å; P381-H385 PolarHBondContact O-N 2.88Å; P381-D608 WeakPolarHBondContact CG-OD2 3.4Å; P381-M625 HydrophobicContact CB-CE 4Å; P381-M625 HydrophobicContact CB-SD 4.43Å; P381-M625 HydrophobicContact CG-CE 3.85Å
382	L	82	Confident	67.3	Low	0 Å²	0	69.9 Å²	69.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-40.1	173.4	-173.3	60.4	0	0	0	110.3	N380 H385 I386 L610 M625 F648 T650 L667 Q788	N380-L382 PolarHBondContact O-N 3.08Å; N380-L382 VanDerWaalsContact O-N 3.11Å; N380-L382 WeakPolarHBondContact OD1-CA 3.46Å; N380-L382 WeakPolarHBondContact OD1-CB 3.49Å; N380-L382 PolarHBondContact OD1-N 3.45Å; L382-H385 PolarHBondContact O-N 2.85Å; L382-I386 HydrophobicContact CD1-CD1 4.2Å; L382-I386 HydrophobicContact CD2-CD1 4.46Å; L382-I386 HydrophobicContact CG-CD1 3.84Å; L382-I386 WeakPolarHBondContact O-CB 3.43Å; L382-I386 WeakPolarHBondContact O-CG1 3.36Å; L382-I386 PolarHBondContact O-N 2.79Å; L382-L610 HydrophobicContact CB-CD2 4.33Å; L382-L610 HydrophobicContact CD1-CD1 3.85Å; L382-L610 HydrophobicContact CD2-CD1 4.09Å; L382-L610 HydrophobicContact CD2-CD2 4.08Å; L382-L610 HydrophobicContact CG-CD1 4.48Å; L382-M625 HydrophobicContact CB-CE 3.67Å; L382-M625 HydrophobicContact CD1-CE 4.43Å; L382-F648 HydrophobicContact CD1-CD2 3.99Å; L382-T650 HydrophobicContact CD1-CG2 4.13Å; L382-T650 HydrophobicContact CD2-CG2 4.28Å; L382-L667 HydrophobicContact CD1-CD1 3.9Å; L382-Q788 HydrophobicContact CD2-CG 4.29Å
383	T	81.3	Confident	66.7	Low	6 Å²	6	66.5 Å²	66.5	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-76.7	-37.7	-176	-56.9	0	0	0	0	110.9	I379 N380 P381 I386 M387 K743 S786	I379-T383 HydrophobicContact CG2-CG2 4.04Å; N380-T383 WeakPolarHBondContact O-CA 3.4Å; N380-T383 WeakPolarHBondContact O-CB 3.46Å; N380-T383 PolarHBondContact O-N 2.93Å; P381-T383 PolarHBondContact O-N 2.91Å; T383-I386 PolarHBondContact O-N 3.32Å; T383-M387 HydrophobicContact CG2-CG 4.37Å; T383-M387 HydrophobicContact CG2-SD 4.01Å; T383-M387 WeakPolarHBondContact O-CB 3.46Å; T383-M387 VanDerWaalsContact O-CG 3.23Å; T383-M387 WeakPolarHBondContact O-CG 3.35Å; T383-M387 PolarHBondContact O-N 3.22Å; T383-K743 PolarHBondContact OG1-NZ 3.26Å; T383-S786 WeakPolarHBondContact CG2-O 3.3Å; T383-S786 PolarHBondContact OG1-O 2.91Å
384	L	79.1	Confident	65.8	Low	56 Å²	56	63.9 Å²	63.9	29%	0.293	32%	0.317	S	S	.	.	H	α-helix	trans	-59	-46.7	168.6	-65	177.2	0	0	0	111.4	I379 N380 P381 M387 R388	I379-L384 HydrophobicContact CB-CD2 4.08Å; I379-L384 HydrophobicContact CB-CG 4.31Å; I379-L384 HydrophobicContact CG2-CD2 3.72Å; I379-L384 HydrophobicContact CG2-CG 3.78Å; N380-L384 PolarHBondContact O-N 2.9Å; P381-L384 PolarHBondContact O-N 3.34Å; L384-M387 PolarHBondContact O-N 3.31Å; L384-R388 WeakPolarHBondContact O-CB 3.44Å; L384-R388 WeakPolarHBondContact O-CG 3.38Å; L384-R388 PolarHBondContact O-N 3.5Å
385	H	80.8	Confident	64.9	Low	72 Å²	72	62.9 Å²	62.9	33%	0.333	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-44	178.7	-172.8	78.3	0	0	0	112.5	P381 L382 R389 F648	P381-H385 WeakPolarHBondContact O-CB 3.35Å; P381-H385 PolarHBondContact O-N 2.88Å; L382-H385 PolarHBondContact O-N 2.85Å; H385-R389 PolarHBondContact CD2-NE 2.83Å; H385-R389 WeakPolarHBondContact O-CG 3.41Å; H385-R389 PolarHBondContact O-N 3.49Å; H385-R389 VanDerWaalsContact O-N 3.12Å; H385-F648 HydrophobicContact CB-CE2 4.07Å; H385-F648 AromaticContact CD2-CD2 3.61Å; H385-F648 AromaticContact CD2-CE2 3.26Å; H385-F648 WeakPolarHBondContact CD2-CE2 3.49Å; H385-F648 AromaticContact CD2-CZ 3.93Å; H385-F648 AromaticContact CG-CE2 3.5Å; H385-F648 AromaticContact ND1-CE2 3.84Å; H385-F648 AromaticContact ND1-CZ 3.94Å; H385-F648 AromaticContact NE2-CZ 3.89Å
386	I	81.6	Confident	64.4	Low	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-46.9	174.9	-70.6	168.1	0	0	0	110.9	L382 T383 R388 R389 T390 L667 L693 T695 Y711 K743	L382-I386 HydrophobicContact CD1-CD1 4.2Å; L382-I386 HydrophobicContact CD2-CD1 4.46Å; L382-I386 HydrophobicContact CG-CD1 3.84Å; L382-I386 WeakPolarHBondContact O-CB 3.43Å; L382-I386 WeakPolarHBondContact O-CG1 3.36Å; L382-I386 PolarHBondContact O-N 2.79Å; T383-I386 PolarHBondContact O-N 3.32Å; I386-R388 VanDerWaalsContact C-N 3.32Å; I386-R388 PolarHBondContact O-N 2.93Å; I386-R389 PolarHBondContact O-N 2.99Å; I386-R389 VanDerWaalsContact O-N 3.12Å; I386-T390 HydrophobicContact CG2-CG2 4.04Å; I386-T390 WeakPolarHBondContact O-CG2 3.09Å; I386-T390 PolarHBondContact O-N 3.04Å; I386-T390 PolarHBondContact O-OG1 3.06Å; I386-T390 VanDerWaalsContact O-OG1 3.06Å; I386-L667 HydrophobicContact CD1-CD1 4.46Å; I386-L667 HydrophobicContact CD1-CD2 4.04Å; I386-L667 HydrophobicContact CG1-CD1 3.96Å; I386-L667 HydrophobicContact CG1-CD2 4.1Å; I386-L693 HydrophobicContact CG2-CD1 3.95Å; I386-T695 HydrophobicContact CD1-CG2 4.08Å; I386-Y711 HydrophobicContact CG2-CD2 3.44Å; I386-Y711 VanDerWaalsContact CG2-CD2 3.44Å; I386-Y711 HydrophobicContact CG2-CE1 4.41Å; I386-Y711 HydrophobicContact CG2-CE2 3.21Å; I386-Y711 HydrophobicContact CG2-CG 4.11Å; I386-K743 HydrophobicContact CD1-CD 4.48Å
387	M	78.9	Confident	63.9	Low	38 Å²	38	66.3 Å²	66.3	19%	0.187	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-34.8	179.5	-74.4	175.2	67.9	0	0	113.2	T383 L384 K391 E392 Y393	T383-M387 HydrophobicContact CG2-CG 4.37Å; T383-M387 HydrophobicContact CG2-SD 4.01Å; T383-M387 WeakPolarHBondContact O-CB 3.46Å; T383-M387 VanDerWaalsContact O-CG 3.23Å; T383-M387 WeakPolarHBondContact O-CG 3.35Å; T383-M387 PolarHBondContact O-N 3.22Å; L384-M387 PolarHBondContact O-N 3.31Å; M387-K391 PolarHBondContact O-N 3.06Å; M387-K391 VanDerWaalsContact O-N 3.13Å; M387-E392 PolarHBondContact O-N 3.47Å; M387-Y393 HydrophobicContact CE-CD2 4.49Å; M387-Y393 PolarHBondContact O-N 3.01Å
388	R	79.3	Confident	63.3	Low	139 Å²	139	64.6 Å²	64.6	53%	0.525	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-46.8	170.8	-77	172.4	167.5	162.7	-4	111.3	D361 L384 I386 K391	D361-R388 IonicContact OD2-NH2 3.67Å; D361-R388 PolarHBondContact OD2-NH2 2.79Å; L384-R388 WeakPolarHBondContact O-CB 3.44Å; L384-R388 WeakPolarHBondContact O-CG 3.38Å; L384-R388 PolarHBondContact O-N 3.5Å; I386-R388 VanDerWaalsContact C-N 3.32Å; I386-R388 PolarHBondContact O-N 2.93Å; R388-K391 PolarHBondContact O-N 2.83Å
389	R	79.3	Confident	62.5	Low	96 Å²	96	67 Å²	67	36%	0.362	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-41.5	178.3	-73	178.8	178.4	-143.9	2.8	113.8	H385 I386 K391 D647 L667	H385-R389 PolarHBondContact CD2-NE 2.83Å; H385-R389 WeakPolarHBondContact O-CG 3.41Å; H385-R389 PolarHBondContact O-N 3.49Å; H385-R389 VanDerWaalsContact O-N 3.12Å; I386-R389 PolarHBondContact O-N 2.99Å; I386-R389 VanDerWaalsContact O-N 3.12Å; R389-K391 PolarHBondContact O-N 3.3Å; R389-D647 IonicContact CZ-OD1 2.73Å; R389-D647 IonicContact CZ-OD2 3.07Å; R389-D647 IonicContact NH1-OD1 2.61Å; R389-D647 IonicContact NH1-OD2 3.34Å; R389-D647 PolarHBondContact NH1-OD2 2.89Å; R389-D647 IonicContact NH2-OD1 3.12Å; R389-D647 PolarHBondContact NH2-OD1 3.04Å; R389-D647 IonicContact NH2-OD2 2.61Å; R389-D647 PolarHBondContact NH2-OD2 2.76Å; R389-L667 PolarHBondContact NH1-O 2.8Å
390	T	76.6	Confident	61.3	Low	33 Å²	33	74.1 Å²	74.1	20%	0.202	38%	0.383	C	S	.	.	H	α-helix	trans	-80.7	-7.5	-177.9	60.8	0	0	0	0	112.7	I386 E392 L693 Y711	I386-T390 HydrophobicContact CG2-CG2 4.04Å; I386-T390 WeakPolarHBondContact O-CG2 3.09Å; I386-T390 PolarHBondContact O-N 3.04Å; I386-T390 PolarHBondContact O-OG1 3.06Å; I386-T390 VanDerWaalsContact O-OG1 3.06Å; T390-E392 PolarHBondContact O-N 3.41Å; T390-L693 HydrophobicContact CG2-CD1 3.76Å; T390-Y711 HydrophobicContact CG2-CD1 3.8Å; T390-Y711 HydrophobicContact CG2-CE1 3.48Å; T390-Y711 VanDerWaalsContact CG2-CE1 3.48Å; T390-Y711 PolarHBondContact OG1-OH 3.38Å
391	K	66.3	Low	59.6	Low	138 Å²	138	78.4 Å²	78.4	60%	0.6	41%	0.414	S	S	*	.	S	Bend	trans	63.2	9.8	-175.2	-51	-175.2	-178.3	-173.9	0	114.4	M387 R388 R389 Y393 I394	M387-K391 PolarHBondContact O-N 3.06Å; M387-K391 VanDerWaalsContact O-N 3.13Å; R388-K391 PolarHBondContact O-N 2.83Å; R389-K391 PolarHBondContact O-N 3.3Å; K391-Y393 PolarHBondContact O-N 2.79Å; K391-Y393 VanDerWaalsContact O-N 3.16Å; K391-I394 HydrophobicContact CB-CD1 4.31Å; K391-I394 HydrophobicContact CG-CD1 4.47Å; K391-I394 PolarHBondContact O-N 2.51Å
392	E	58.7	Low	57.2	Low	62 Å²	62	84.8 Å²	84.8	29%	0.29	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22	173.8	-71.4	-164.8	-157.1	0	0	112.1	M387 T390 I394 T395 N396 Y711 R742	M387-E392 PolarHBondContact O-N 3.47Å; T390-E392 PolarHBondContact O-N 3.41Å; E392-I394 VanDerWaalsContact C-N 3.31Å; E392-I394 PolarHBondContact O-N 3.1Å; E392-T395 PolarHBondContact O-OG1 3.31Å; E392-N396 PolarHBondContact O-ND2 3.04Å; E392-Y711 WeakPolarHBondContact OE1-CE1 3.46Å; E392-Y711 PolarHBondContact OE1-OH 3.26Å; E392-Y711 PolarHBondContact OE2-OH 2.96Å; E392-R742 IonicContact OE2-NH1 3.78Å; E392-R742 PolarHBondContact OE2-NH1 3.35Å
393	Y	42.2	Very low	54.8	Low	81 Å²	81	92.1 Å²	92.1	32%	0.318	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.3	171.6	-166.5	-111.4	0	0	0	113.4	D361 M387 K391	D361-Y393 HydrophobicContact CB-CE1 4.01Å; M387-Y393 HydrophobicContact CE-CD2 4.49Å; M387-Y393 PolarHBondContact O-N 3.01Å; K391-Y393 PolarHBondContact O-N 2.79Å; K391-Y393 VanDerWaalsContact O-N 3.16Å
394	I	37.3	Very low	52.6	Low	114 Å²	114	99.1 Å²	99.1	59%	0.585	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-23.5	-174.2	-56.6	175.9	0	0	0	111.7	K391 E392	K391-I394 HydrophobicContact CB-CD1 4.31Å; K391-I394 HydrophobicContact CG-CD1 4.47Å; K391-I394 PolarHBondContact O-N 2.51Å; E392-I394 VanDerWaalsContact C-N 3.31Å; E392-I394 PolarHBondContact O-N 3.1Å
395	T	34.9	Very low	50.3	Low	87 Å²	87	105.1 Å²	105.1	53%	0.534	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.7	-165.6	49.9	0	0	0	0	116.2	E392	E392-T395 PolarHBondContact O-OG1 3.31Å
396	N	36	Very low	48	Very low	108 Å²	108	110.2 Å²	110.2	58%	0.578	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	-33.4	-176.3	-72.2	-63.2	0	0	0	114.6	E392	E392-N396 PolarHBondContact O-ND2 3.04Å
397	D	35.4	Very low	45.4	Very low	136 Å²	136	115.7 Å²	115.7	73%	0.727	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-42.5	177	-72.1	-55.1	0	0	0	113.1	A399	D397-A399 PolarHBondContact O-N 2.79Å
398	A	32.3	Very low	43	Very low	88 Å²	88	122.9 Å²	122.9	73%	0.727	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	21.7	-178.1	0	0	0	0	0	114.8
399	A	36.1	Very low	40.5	Very low	75 Å²	75	120.7 Å²	120.7	62%	0.62	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.9	9.4	-175.5	0	0	0	0	0	114.1	D397	D397-A399 PolarHBondContact O-N 2.79Å
400	Q	36.8	Very low	38.2	Very low	186 Å²	186	122.1 Å²	122.1	87%	0.869	68%	0.675	S	S	*	*	S	Bend	trans	-124.6	19	172.4	-65.8	-157.6	-0.8	0	0	114.6
401	S	38.2	Very low	36	Very low	92 Å²	92	129 Å²	129	64%	0.643	71%	0.709	S	S	*	*			trans	-147.6	97.5	163.5	61.2	0	0	0	0	111.2
402	D	27.2	Very low	34.2	Very low	173 Å²	173	129.1 Å²	129.1	93%	0.925	72%	0.722	S	S	*	*			trans	-171	101.2	148.7	-98.9	-15.6	0	0	0	107.5
403	D	31.6	Very low	32.8	Very low	155 Å²	155	133.4 Å²	133.4	83%	0.829	75%	0.747	S	S	*	*			trans	-104.6	157.6	166.1	-163.1	7.3	0	0	0	108	E405	D403-E405 PolarHBondContact O-N 3.05Å; D403-E405 VanDerWaalsContact O-N 3.15Å
404	D	35.6	Very low	32.4	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	77%	0.772	S	S	*	*			trans	-54.2	113	-162.9	-82.7	-56.7	0	0	0	114.8
405	E	31.4	Very low	32	Very low	183 Å²	183	138.4 Å²	138.4	86%	0.855	79%	0.785	S	S	*	*			trans	-118.2	116.5	156.9	-119.8	-63.1	86.2	0	0	110.5	D403	D403-E405 PolarHBondContact O-N 3.05Å; D403-E405 VanDerWaalsContact O-N 3.15Å
406	K	32.9	Very low	31.6	Very low	178 Å²	178	137.5 Å²	137.5	77%	0.774	79%	0.793	S	S	*	*			trans	-119	79.8	-156.9	-171.5	180	179.7	173.3	0	112.1
407	S	26.8	Very low	31.3	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.9	148.8	176.3	55.2	0	0	0	0	112.8
408	Q	27.4	Very low	30.9	Very low	189 Å²	189	138.9 Å²	138.9	88%	0.883	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-95.2	139	-167.1	-64.1	174.3	-18.7	0	0	112.5
409	A	28.1	Very low	30.8	Very low	93 Å²	93	141.5 Å²	141.5	77%	0.769	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-85.2	142.3	160	0	0	0	0	0	110.1
410	P	30.7	Very low	30.7	Very low	126 Å²	126	146.2 Å²	146.2	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-73.5	157.2	-175.2	30	-35.6	0	0	0	113.4
411	L	29.2	Very low	30.5	Very low	176 Å²	176	146.1 Å²	146.1	92%	0.921	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.5	137.2	-179.9	-65.6	164.5	0	0	0	112.5
412	T	29	Very low	30.1	Very low	141 Å²	141	153.4 Å²	153.4	87%	0.865	83%	0.826	S	S	*	*			trans	-126.9	144.3	145.2	50.4	0	0	0	0	108.9
413	D	29.1	Very low	30.4	Very low	152 Å²	152	151.2 Å²	151.2	81%	0.813	82%	0.819	S	S	*	*			trans	-102.4	134.5	-167.1	-168.3	2.1	0	0	0	111.3
414	T	34.5	Very low	30.7	Very low	138 Å²	138	150.5 Å²	150.5	85%	0.847	82%	0.821	S	S	*	*			trans	-163.8	116.3	158.5	-5.1	0	0	0	0	112.8
415	D	28	Very low	30.9	Very low	163 Å²	163	152.1 Å²	152.1	87%	0.872	82%	0.823	S	S	*	*			trans	-30.3	159.1	164.4	-170.4	17.7	0	0	0	118.3
416	G	27.6	Very low	31.1	Very low	68 Å²	68	151.7 Å²	151.7	70%	0.701	83%	0.826	S	S	*	*			trans	178.2	-41.9	172.3	0	0	0	0	0	119.6
417	G	28.5	Very low	31.5	Very low	63 Å²	63	153.2 Å²	153.2	65%	0.649	83%	0.832	S	S	*	*			trans	66.5	154.2	165.5	0	0	0	0	0	122.2
418	K	28.2	Very low	32.4	Very low	209 Å²	209	157.4 Å²	157.4	91%	0.909	84%	0.836	S	S	*	*			trans	73.2	145.8	166.7	-48.9	160	-171.7	164.3	0	114.3
419	L	30.7	Very low	33	Very low	143 Å²	143	158 Å²	158	75%	0.749	84%	0.836	S	S	*	*			cis	-161.5	145.9	24.9	-173.8	66	0	0	0	112.8
420	K	33.8	Very low	33.8	Very low	174 Å²	174	160.6 Å²	160.6	76%	0.757	84%	0.836	S	S	*	*			trans	36.6	115.4	159.1	-68.3	171.7	179.2	173	0	119.8
421	Q	31.4	Very low	34.3	Very low	184 Å²	184	157.8 Å²	157.8	86%	0.86	83%	0.831	S	S	*	*				46.2	100.4	77.1	-73.3	-167.9	-15.2	0	0	117.6
422	R	31.5	Very low	35.1	Very low	245 Å²	245	158.8 Å²	158.8	93%	0.925	83%	0.828	S	S	*	*			trans	171.8	134.5	140.8	-98.5	169.2	-179.3	-169.1	-0.8	107.9
423	T	33.3	Very low	35.5	Very low	127 Å²	127	156.4 Å²	156.4	78%	0.779	82%	0.817	S	S	*	*			cis	-134.5	145.8	0.9	52.9	0	0	0	0	111.4
424	T	37.8	Very low	36.4	Very low	141 Å²	141	153.8 Å²	153.8	87%	0.865	81%	0.806	S	S	*	*			trans	-110.4	80.3	178	30	0	0	0	0	111.5
425	Q	38.8	Very low	36.9	Very low	186 Å²	186	155.7 Å²	155.7	87%	0.869	80%	0.802	S	S	*	*			trans	-155.1	37.3	174.7	-126.8	166.5	65.6	0	0	118.4
426	L	36.7	Very low	37.4	Very low	173 Å²	173	155.5 Å²	155.5	91%	0.906	79%	0.794	S	S	*	*	S	Bend	trans	-145.4	20.9	164.6	-143.5	80.4	0	0	0	116.9
427	K	40.5	Very low	38.3	Very low	210 Å²	210	154.9 Å²	154.9	91%	0.913	78%	0.782	S	S	*	*	S	Bend	trans	-124.5	48.2	177.7	-80	-167.5	174.3	-177.8	0	114.4
428	K	46.1	Very low	38.8	Very low	204 Å²	204	157.7 Å²	157.7	89%	0.887	78%	0.776	S	S	*	*	S	Bend	trans	-128.8	-0.8	167	-80.3	-166.3	173.7	-176.5	0	116.4
429	F	40.3	Very low	39.6	Very low	201 Å²	201	154.1 Å²	154.1	88%	0.882	76%	0.763	S	S	*	*	S	Bend	trans	-117.1	-9.6	-178.1	-109.4	-87.9	0	0	0	117.6
430	L	43.8	Very low	40.4	Very low	148 Å²	148	151.1 Å²	151.1	78%	0.775	75%	0.747	S	S	*	*	S	Bend	trans	-102.4	8.9	172.2	-92.7	76.2	0	0	0	114.2	K432	L430-K432 PolarHBondContact O-N 2.94Å
431	G	41.7	Very low	41.1	Very low	68 Å²	68	146 Å²	146	70%	0.701	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-8.3	-171.9	0	0	0	0	0	117.1
432	K	45.3	Very low	41.9	Very low	197 Å²	197	141.3 Å²	141.3	86%	0.857	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	-17.8	-171	-68.8	-171.4	176	-175.4	0	116.2	L430	L430-K432 PolarHBondContact O-N 2.94Å
433	S	39.1	Very low	42.5	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	69%	0.686	S	S	*	*	H	α-helix	trans	-85.1	-34.9	179	-159.1	0	0	0	0	112.8	K435 K436 A437	S433-K435 PolarHBondContact O-N 3.32Å; S433-K436 PolarHBondContact O-N 3.49Å; S433-A437 PolarHBondContact O-N 2.78Å
434	V	47.3	Very low	42.8	Very low	97 Å²	97	134.7 Å²	134.7	59%	0.588	68%	0.68	S	S	*	*	H	α-helix	trans	-64.6	-36.3	-172	-177.4	0	0	0	0	113.2	A437 K438	V434-A437 PolarHBondContact O-N 2.55Å; V434-K438 WeakPolarHBondContact O-CB 3.46Å; V434-K438 PolarHBondContact O-N 2.79Å
435	K	44.1	Very low	43.1	Very low	178 Å²	178	129.6 Å²	129.6	77%	0.774	66%	0.655	S	S	*	*	H	α-helix	trans	-67.3	-39.2	176.7	-72.9	-160.9	173.5	-164.3	0	112.7	S433 K438 H439	S433-K435 PolarHBondContact O-N 3.32Å; K435-K438 PolarHBondContact O-N 3.34Å; K435-H439 WeakPolarHBondContact O-CB 3.48Å; K435-H439 PolarHBondContact O-N 2.68Å
436	K	40.1	Very low	43.4	Very low	158 Å²	158	126.5 Å²	126.5	69%	0.687	64%	0.641	S	S	*	*	H	α-helix	trans	-73.4	-34.1	178.1	-152.7	173.3	-172.2	-179	0	111.7	S433 L440	S433-K436 PolarHBondContact O-N 3.49Å; K436-L440 WeakPolarHBondContact O-CB 3.4Å; K436-L440 PolarHBondContact O-N 3.22Å
437	A	44.9	Very low	43.8	Very low	55 Å²	55	124.1 Å²	124.1	46%	0.455	62%	0.623	S	S	.	*	H	α-helix	trans	-67.9	-39.7	172	0	0	0	0	0	112.9	S433 V434 A441	S433-A437 PolarHBondContact O-N 2.78Å; V434-A437 PolarHBondContact O-N 2.55Å; A437-A441 VanDerWaalsContact O-CB 3.29Å; A437-A441 WeakPolarHBondContact O-CB 3.45Å; A437-A441 PolarHBondContact O-N 3.22Å
438	K	40.5	Very low	44	Very low	122 Å²	122	116.8 Å²	116.8	53%	0.53	60%	0.602	S	S	.	*	H	α-helix	trans	-62.8	-51	174.3	-164.1	-168.7	173.9	-96.6	0	110.5	V434 K435 L440 A441 E442	V434-K438 WeakPolarHBondContact O-CB 3.46Å; V434-K438 PolarHBondContact O-N 2.79Å; K435-K438 PolarHBondContact O-N 3.34Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 3.34Å; K438-A441 CarbonylContact O-C 3.5Å; K438-A441 PolarHBondContact O-N 3.43Å; K438-E442 WeakPolarHBondContact CE-OE1 3.38Å; K438-E442 WeakPolarHBondContact CG-OE2 3.45Å; K438-E442 IonicContact NZ-OE1 2.68Å; K438-E442 PolarHBondContact NZ-OE1 3.28Å; K438-E442 IonicContact NZ-OE2 3.89Å; K438-E442 PolarHBondContact NZ-OE2 2.76Å; K438-E442 WeakPolarHBondContact O-CB 3.38Å; K438-E442 WeakPolarHBondContact O-CG 3.27Å; K438-E442 PolarHBondContact O-N 3.12Å
439	H	44.9	Very low	43.9	Very low	134 Å²	134	111.2 Å²	111.2	62%	0.62	59%	0.585	S	S	*	*	H	α-helix	trans	-62.6	-34.7	-179.2	-152.5	-55.5	0	0	0	113.2	K435 E443	K435-H439 WeakPolarHBondContact O-CB 3.48Å; K435-H439 PolarHBondContact O-N 2.68Å; H439-E443 WeakPolarHBondContact O-CB 3.03Å; H439-E443 PolarHBondContact O-N 3.34Å
440	L	47.1	Very low	43.9	Very low	80 Å²	80	105.9 Å²	105.9	42%	0.419	57%	0.566	S	S	.	*	H	α-helix	trans	-73.3	-34.2	172	-84.2	165.9	0	0	0	113	K436 K438 E442 Y444	K436-L440 WeakPolarHBondContact O-CB 3.4Å; K436-L440 PolarHBondContact O-N 3.22Å; K438-L440 VanDerWaalsContact C-N 3.31Å; K438-L440 PolarHBondContact O-N 3.34Å; L440-E442 VanDerWaalsContact C-N 3.35Å; L440-Y444 HydrophobicContact CD2-CD2 4.43Å; L440-Y444 HydrophobicContact CD2-CE2 4.29Å; L440-Y444 WeakPolarHBondContact O-CB 3.29Å; L440-Y444 WeakPolarHBondContact O-CD2 3.33Å; L440-Y444 PolarHBondContact O-N 3.4Å
441	A	48.3	Very low	43.8	Very low	67 Å²	67	105.5 Å²	105.5	55%	0.554	56%	0.557	S	S	*	*	H	α-helix	trans	-71.6	-32	175.3	0	0	0	0	0	112.1	A437 K438 G445	A437-A441 VanDerWaalsContact O-CB 3.29Å; A437-A441 WeakPolarHBondContact O-CB 3.45Å; A437-A441 PolarHBondContact O-N 3.22Å; K438-A441 CarbonylContact O-C 3.5Å; K438-A441 PolarHBondContact O-N 3.43Å; A441-G445 WeakPolarHBondContact O-CA 3.5Å; A441-G445 PolarHBondContact O-N 2.87Å
442	E	46.9	Very low	44	Very low	86 Å²	86	107.5 Å²	107.5	40%	0.402	56%	0.556	S	S	.	*	H	α-helix	trans	-71.4	-48.6	171.2	-70.3	174.9	136.7	0	0	109.9	K438 L440 Y444 G445 E446	K438-E442 WeakPolarHBondContact CE-OE1 3.38Å; K438-E442 WeakPolarHBondContact CG-OE2 3.45Å; K438-E442 IonicContact NZ-OE1 2.68Å; K438-E442 PolarHBondContact NZ-OE1 3.28Å; K438-E442 IonicContact NZ-OE2 3.89Å; K438-E442 PolarHBondContact NZ-OE2 2.76Å; K438-E442 WeakPolarHBondContact O-CB 3.38Å; K438-E442 WeakPolarHBondContact O-CG 3.27Å; K438-E442 PolarHBondContact O-N 3.12Å; L440-E442 VanDerWaalsContact C-N 3.35Å; E442-Y444 PolarHBondContact O-N 2.81Å; E442-G445 CarbonylContact O-C 3.53Å; E442-G445 WeakPolarHBondContact O-CA 3.42Å; E442-G445 PolarHBondContact O-N 3.26Å; E442-E446 WeakPolarHBondContact O-CB 3.06Å; E442-E446 WeakPolarHBondContact O-CG 3.48Å; E442-E446 PolarHBondContact O-N 2.93Å
443	E	45.1	Very low	43.8	Very low	68 Å²	68	104.1 Å²	104.1	32%	0.318	54%	0.541	S	S	.	.	H	α-helix	trans	-60.7	-41	176.2	-170.5	-168.8	156.7	0	0	113.2	H439 K447	H439-E443 WeakPolarHBondContact O-CB 3.03Å; H439-E443 PolarHBondContact O-N 3.34Å; E443-K447 HydrophobicContact CG-CD 4.2Å; E443-K447 VanDerWaalsContact O-CB 3.25Å; E443-K447 WeakPolarHBondContact O-CB 3.43Å; E443-K447 WeakPolarHBondContact O-CD 3.35Å; E443-K447 WeakPolarHBondContact O-CG 3.12Å; E443-K447 PolarHBondContact O-N 3.25Å; E443-K447 IonicContact OE1-NZ 3.44Å; E443-K447 PolarHBondContact OE1-NZ 3.31Å
444	Y	40.1	Very low	43.9	Very low	165 Å²	165	101.6 Å²	101.6	65%	0.647	52%	0.523	S	S	*	.	H	α-helix	trans	-74.5	-28.9	173	-90	-101.2	0	0	0	112.8	L440 E442 A448	L440-Y444 HydrophobicContact CD2-CD2 4.43Å; L440-Y444 HydrophobicContact CD2-CE2 4.29Å; L440-Y444 WeakPolarHBondContact O-CB 3.29Å; L440-Y444 WeakPolarHBondContact O-CD2 3.33Å; L440-Y444 PolarHBondContact O-N 3.4Å; E442-Y444 PolarHBondContact O-N 2.81Å; Y444-A448 VanDerWaalsContact O-CB 3.25Å; Y444-A448 WeakPolarHBondContact O-CB 3.25Å; Y444-A448 PolarHBondContact O-N 3.27Å
445	G	44	Very low	43.7	Very low	33 Å²	33	100.9 Å²	100.9	34%	0.34	52%	0.519	S	S	.	.	H	α-helix	trans	-67.7	-49.2	174.1	0	0	0	0	0	111.4	A441 E442 A448 V449	A441-G445 WeakPolarHBondContact O-CA 3.5Å; A441-G445 PolarHBondContact O-N 2.87Å; E442-G445 CarbonylContact O-C 3.53Å; E442-G445 WeakPolarHBondContact O-CA 3.42Å; E442-G445 PolarHBondContact O-N 3.26Å; G445-A448 PolarHBondContact O-N 2.62Å; G445-V449 WeakPolarHBondContact O-CG2 3.39Å; G445-V449 PolarHBondContact O-N 2.95Å
446	E	45.4	Very low	43.4	Very low	122 Å²	122	100.7 Å²	100.7	57%	0.57	51%	0.513	S	S	*	.	H	α-helix	trans	-61.7	-44.7	172.4	-72.1	174.9	175.7	0	0	111.1	E442 A448 V449 N450	E442-E446 WeakPolarHBondContact O-CB 3.06Å; E442-E446 WeakPolarHBondContact O-CG 3.48Å; E442-E446 PolarHBondContact O-N 2.93Å; E446-A448 VanDerWaalsContact C-N 3.26Å; E446-A448 PolarHBondContact O-N 3.22Å; E446-V449 PolarHBondContact O-N 2.66Å; E446-N450 WeakPolarHBondContact O-CA 3.07Å; E446-N450 WeakPolarHBondContact O-CB 3.1Å; E446-N450 VanDerWaalsContact O-CG 3.25Å; E446-N450 PolarHBondContact O-N 3.16Å
447	K	43.5	Very low	43.2	Very low	122 Å²	122	97 Å²	97	53%	0.53	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-28	174	-74.3	169.8	-178.8	177.1	0	113.1	E443 K451	E443-K447 HydrophobicContact CG-CD 4.2Å; E443-K447 VanDerWaalsContact O-CB 3.25Å; E443-K447 WeakPolarHBondContact O-CB 3.43Å; E443-K447 WeakPolarHBondContact O-CD 3.35Å; E443-K447 WeakPolarHBondContact O-CG 3.12Å; E443-K447 PolarHBondContact O-N 3.25Å; E443-K447 IonicContact OE1-NZ 3.44Å; E443-K447 PolarHBondContact OE1-NZ 3.31Å; K447-K451 WeakPolarHBondContact O-CB 3.43Å; K447-K451 PolarHBondContact O-N 3.35Å
448	A	45.9	Very low	42.9	Very low	57 Å²	57	100.5 Å²	100.5	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-77.2	-42	173	0	0	0	0	0	112.5	Y444 G445 E446 K451 V452	Y444-A448 VanDerWaalsContact O-CB 3.25Å; Y444-A448 WeakPolarHBondContact O-CB 3.25Å; Y444-A448 PolarHBondContact O-N 3.27Å; G445-A448 PolarHBondContact O-N 2.62Å; E446-A448 VanDerWaalsContact C-N 3.26Å; E446-A448 PolarHBondContact O-N 3.22Å; A448-K451 PolarHBondContact O-N 2.97Å; A448-V452 WeakPolarHBondContact O-CG2 3.33Å; A448-V452 PolarHBondContact O-N 3.45Å
449	V	42.8	Very low	42.9	Very low	86 Å²	86	99.9 Å²	99.9	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-43.3	176.4	171.1	0	0	0	0	110.8	G445 E446 K451 V452 K453	G445-V449 WeakPolarHBondContact O-CG2 3.39Å; G445-V449 PolarHBondContact O-N 2.95Å; E446-V449 PolarHBondContact O-N 2.66Å; V449-K451 VanDerWaalsContact C-N 3.31Å; V449-K451 PolarHBondContact O-N 3.48Å; V449-V452 CarbonylContact O-C 3.32Å; V449-V452 WeakPolarHBondContact O-CA 3.48Å; V449-V452 PolarHBondContact O-N 3Å; V449-K453 PolarHBondContact O-N 3.09Å
450	N	40.2	Very low	42.5	Very low	90 Å²	90	100.8 Å²	100.8	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-72.7	-20.9	175.5	-66.1	-12.9	0	0	0	112.4	E446 S454	E446-N450 WeakPolarHBondContact O-CA 3.07Å; E446-N450 WeakPolarHBondContact O-CB 3.1Å; E446-N450 VanDerWaalsContact O-CG 3.25Å; E446-N450 PolarHBondContact O-N 3.16Å; N450-S454 WeakPolarHBondContact O-CB 3.44Å; N450-S454 PolarHBondContact O-N 3.21Å
451	K	43	Very low	41.9	Very low	139 Å²	139	104.4 Å²	104.4	60%	0.604	53%	0.531	S	S	*	.	H	α-helix	trans	-77.8	-26.5	164.8	-175.2	161.1	-173.6	161.5	0	112.7	K447 A448 V449 V455	K447-K451 WeakPolarHBondContact O-CB 3.43Å; K447-K451 PolarHBondContact O-N 3.35Å; A448-K451 PolarHBondContact O-N 2.97Å; V449-K451 VanDerWaalsContact C-N 3.31Å; V449-K451 PolarHBondContact O-N 3.48Å; K451-V455 HydrophobicContact CG-CG2 4.22Å; K451-V455 VanDerWaalsContact O-CB 3.22Å; K451-V455 WeakPolarHBondContact O-CB 3.29Å; K451-V455 WeakPolarHBondContact O-CG2 3.4Å; K451-V455 PolarHBondContact O-N 3.47Å
452	V	45.6	Very low	41.5	Very low	111 Å²	111	107.2 Å²	107.2	67%	0.673	54%	0.542	S	S	*	.	H	α-helix	trans	-78.4	-24.9	170.1	172	0	0	0	0	111.8	A448 V449	A448-V452 WeakPolarHBondContact O-CG2 3.33Å; A448-V452 PolarHBondContact O-N 3.45Å; V449-V452 CarbonylContact O-C 3.32Å; V449-V452 WeakPolarHBondContact O-CA 3.48Å; V449-V452 PolarHBondContact O-N 3Å
453	K	41.6	Very low	40.7	Very low	126 Å²	126	109.8 Å²	109.8	55%	0.548	56%	0.559	S	S	.	*	H	α-helix	trans	-75.8	-48.6	164	-71.9	-171.3	171	-171	0	111.9	V449 V455 R456 D457	V449-K453 PolarHBondContact O-N 3.09Å; K453-V455 VanDerWaalsContact C-N 3.33Å; K453-V455 PolarHBondContact O-N 2.95Å; K453-R456 CarbonylContact O-C 3.46Å; K453-R456 VanDerWaalsContact O-CA 3.24Å; K453-R456 WeakPolarHBondContact O-CA 3.5Å; K453-R456 WeakPolarHBondContact O-CB 3.47Å; K453-R456 PolarHBondContact O-N 2.93Å; K453-D457 PolarHBondContact O-N 3.42Å; K453-D457 VanDerWaalsContact O-OD2 3.1Å
454	S	40.3	Very low	40.3	Very low	37 Å²	37	112.4 Å²	112.4	26%	0.259	58%	0.581	S	S	.	*	H	α-helix	trans	-64.6	-34.2	178.7	93.9	0	0	0	0	112.4	N450 R456 D457 E458	N450-S454 WeakPolarHBondContact O-CB 3.44Å; N450-S454 PolarHBondContact O-N 3.21Å; S454-R456 PolarHBondContact O-N 2.85Å; S454-D457 PolarHBondContact O-N 3.18Å; S454-D457 VanDerWaalsContact O-N 3.17Å; S454-E458 WeakPolarHBondContact CB-OE1 3.45Å; S454-E458 WeakPolarHBondContact O-CA 3.45Å; S454-E458 WeakPolarHBondContact O-CB 3.36Å; S454-E458 WeakPolarHBondContact O-CG 3.28Å; S454-E458 PolarHBondContact O-N 2.65Å; S454-E458 PolarHBondContact OG-OE1 2.9Å
455	V	42.7	Very low	40.1	Very low	82 Å²	82	111.5 Å²	111.5	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-72	-8.1	169.9	173.3	0	0	0	0	113.1	K451 K453 V459	K451-V455 HydrophobicContact CG-CG2 4.22Å; K451-V455 VanDerWaalsContact O-CB 3.22Å; K451-V455 WeakPolarHBondContact O-CB 3.29Å; K451-V455 WeakPolarHBondContact O-CG2 3.4Å; K451-V455 PolarHBondContact O-N 3.47Å; K453-V455 VanDerWaalsContact C-N 3.33Å; K453-V455 PolarHBondContact O-N 2.95Å; V455-V459 VanDerWaalsContact O-CG2 3.25Å; V455-V459 WeakPolarHBondContact O-CG2 3.13Å
456	R	38.7	Very low	39.7	Very low	174 Å²	174	115.8 Å²	115.8	66%	0.657	60%	0.603	S	S	*	*	H	α-helix	trans	-87.2	-46.3	164.4	-162.4	178.2	-173.1	170.5	-0.8	110.2	K453 S454 V459 F460	K453-R456 CarbonylContact O-C 3.46Å; K453-R456 VanDerWaalsContact O-CA 3.24Å; K453-R456 WeakPolarHBondContact O-CA 3.5Å; K453-R456 WeakPolarHBondContact O-CB 3.47Å; K453-R456 PolarHBondContact O-N 2.93Å; S454-R456 PolarHBondContact O-N 2.85Å; R456-V459 PolarHBondContact O-N 3.06Å; R456-F460 HydrophobicContact CG-CE2 4.28Å; R456-F460 WeakPolarHBondContact O-CD2 3.4Å
457	D	35.2	Very low	39.3	Very low	80 Å²	80	116 Å²	116	43%	0.428	62%	0.615	S	S	.	*	H	α-helix	trans	-82.1	-35.9	-169.9	-50.6	-29.3	0	0	0	112.7	K453 S454 V459 F460 H461	K453-D457 PolarHBondContact O-N 3.42Å; K453-D457 VanDerWaalsContact O-OD2 3.1Å; S454-D457 PolarHBondContact O-N 3.18Å; S454-D457 VanDerWaalsContact O-N 3.17Å; D457-V459 PolarHBondContact O-N 2.84Å; D457-F460 CarbonylContact O-C 3.59Å; D457-F460 WeakPolarHBondContact O-CA 3.38Å; D457-F460 PolarHBondContact O-N 3.11Å; D457-H461 PolarHBondContact O-N 2.94Å
458	E	38.5	Very low	38.9	Very low	129 Å²	129	114.5 Å²	114.5	60%	0.603	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-18.4	167.7	-67.5	164.4	-145.9	0	0	112.1	S454	S454-E458 WeakPolarHBondContact CB-OE1 3.45Å; S454-E458 WeakPolarHBondContact O-CA 3.45Å; S454-E458 WeakPolarHBondContact O-CB 3.36Å; S454-E458 WeakPolarHBondContact O-CG 3.28Å; S454-E458 PolarHBondContact O-N 2.65Å; S454-E458 PolarHBondContact OG-OE1 2.9Å
459	V	42.3	Very low	38.5	Very low	110 Å²	110	116.8 Å²	116.8	67%	0.667	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-4.2	172	177.9	0	0	0	0	111.7	V455 R456 D457	V455-V459 VanDerWaalsContact O-CG2 3.25Å; V455-V459 WeakPolarHBondContact O-CG2 3.13Å; R456-V459 PolarHBondContact O-N 3.06Å; D457-V459 PolarHBondContact O-N 2.84Å
460	F	36	Very low	38.1	Very low	152 Å²	152	117.3 Å²	117.3	67%	0.667	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-0.1	171.6	-75.8	-64.3	0	0	0	114.3	R456 D457 T462	R456-F460 HydrophobicContact CG-CE2 4.28Å; R456-F460 WeakPolarHBondContact O-CD2 3.4Å; D457-F460 CarbonylContact O-C 3.59Å; D457-F460 WeakPolarHBondContact O-CA 3.38Å; D457-F460 PolarHBondContact O-N 3.11Å; F460-T462 PolarHBondContact O-N 2.86Å
461	H	34.4	Very low	38.2	Very low	156 Å²	156	120.3 Å²	120.3	72%	0.722	66%	0.656	S	S	*	*			trans	-87.3	73.6	163.8	-69.7	-42.9	0	0	0	111.2	D457	D457-H461 PolarHBondContact O-N 2.94Å
462	T	38.9	Very low	38	Very low	127 Å²	127	119.7 Å²	119.7	78%	0.779	66%	0.659	S	S	*	*			trans	-69.4	132.3	143.5	37.7	0	0	0	0	108.1	F460	F460-T462 PolarHBondContact O-N 2.86Å
463	D	30.7	Very low	37.6	Very low	140 Å²	140	123.5 Å²	123.5	75%	0.749	67%	0.669	S	S	*	*			trans	-55.5	139.7	172.2	-72.2	-66	0	0	0	110.7	D465	D463-D465 PolarHBondContact O-N 2.86Å
464	P	37.5	Very low	37.5	Very low	123 Å²	123	118.6 Å²	118.6	80%	0.799	66%	0.655	S	S	*	*	S	Bend	trans	-66.5	-17.3	178.1	-23.2	35.1	0	0	0	114.7
465	D	35.3	Very low	37.5	Very low	146 Å²	146	121.9 Å²	121.9	78%	0.781	67%	0.667	S	S	*	*			trans	-118.2	71.3	-168.2	-65.3	-67.7	0	0	0	112.3	D463 P467	D463-D465 PolarHBondContact O-N 2.86Å; D465-P467 VanDerWaalsContact O-CD 3.29Å; D465-P467 WeakPolarHBondContact O-CD 3.48Å
466	D	35.3	Very low	37.7	Very low	122 Å²	122	122.5 Å²	122.5	65%	0.652	67%	0.673	S	S	*	*			trans	-101.9	94	157.9	-175.7	-4.3	0	0	0	109.7	S468	D466-S468 PolarHBondContact O-N 2.9Å; D466-S468 VanDerWaalsContact O-N 3.07Å; D466-S468 WeakPolarHBondContact OD1-CB 3.2Å; D466-S468 PolarHBondContact OD1-N 2.87Å
467	P	37.7	Very low	38.4	Very low	126 Å²	126	117.5 Å²	117.5	82%	0.818	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	17.8	-179	33.6	-37	0	0	0	113.6	D465 S469	D465-P467 VanDerWaalsContact O-CD 3.29Å; D465-P467 WeakPolarHBondContact O-CD 3.48Å; P467-S469 PolarHBondContact O-N 3.23Å
468	S	34.1	Very low	39	Very low	92 Å²	92	118 Å²	118	64%	0.643	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	7.9	171.8	-164.9	0	0	0	0	114	D466 S470	D466-S468 PolarHBondContact O-N 2.9Å; D466-S468 VanDerWaalsContact O-N 3.07Å; D466-S468 WeakPolarHBondContact OD1-CB 3.2Å; D466-S468 PolarHBondContact OD1-N 2.87Å; S468-S470 PolarHBondContact O-N 3.17Å; S468-S470 VanDerWaalsContact O-N 3.09Å
469	S	37.5	Very low	39.8	Very low	104 Å²	104	118.4 Å²	118.4	73%	0.727	66%	0.657	S	S	*	*			trans	-80.9	52.9	168.7	-173	0	0	0	0	112.3	P467	P467-S469 PolarHBondContact O-N 3.23Å
470	S	34.3	Very low	40.6	Very low	97 Å²	97	118.1 Å²	118.1	68%	0.678	66%	0.657	S	S	*	*			trans	-75.5	133.5	162.8	56.4	0	0	0	0	109.5	S468 D472	S468-S470 PolarHBondContact O-N 3.17Å; S468-S470 VanDerWaalsContact O-N 3.09Å; S470-D472 PolarHBondContact O-N 3.33Å
471	D	43.2	Very low	42.3	Very low	154 Å²	154	111.8 Å²	111.8	82%	0.824	63%	0.633	S	S	*	*			trans	-59.9	107.6	-172.7	-57.4	-76.8	0	0	0	113.3
472	D	38.3	Very low	44.4	Very low	126 Å²	126	111.9 Å²	111.9	67%	0.674	63%	0.631	S	S	*	*			trans	-99.4	100.2	163.3	-179.7	44.2	0	0	0	108.2	S470 G474 R479	S470-D472 PolarHBondContact O-N 3.33Å; D472-G474 PolarHBondContact O-N 3.3Å; D472-R479 PolarHBondContact O-NH2 2.96Å; D472-R479 VanDerWaalsContact O-NH2 3.12Å
473	E	36.2	Very low	46.7	Very low	190 Å²	190	109 Å²	109	89%	0.888	61%	0.608	S	S	*	*			trans	-72.5	30.7	-179.5	-62.8	-163.6	129.7	0	0	113.2
474	G	39.8	Very low	49.5	Very low	23 Å²	23	104.6 Å²	104.6	24%	0.237	58%	0.582	C	S	.	*			trans	-71	132.5	173.6	0	0	0	0	0	112.9	D472 R479	D472-G474 PolarHBondContact O-N 3.3Å; G474-R479 PolarHBondContact O-NH2 2.67Å
475	M	40.7	Very low	51.9	Low	106 Å²	106	100.1 Å²	100.1	52%	0.522	56%	0.556	S	S	.	*			trans	-48.9	130.9	-175.2	-63.7	-62.3	-83.1	0	0	112.5	Y477 T478	M475-Y477 HydrophobicContact CB-CD1 4.48Å; M475-Y477 HydrophobicContact CB-CE1 4.01Å; M475-Y477 HydrophobicContact CB-CE2 4.34Å; M475-Y477 HydrophobicContact CE-CE1 3.91Å; M475-Y477 WeakPolarHBondContact CE-OH 3.47Å; M475-Y477 PolarHBondContact O-N 3.35Å; M475-T478 HydrophobicContact CB-CG2 4.31Å; M475-T478 PolarHBondContact O-N 2.87Å; M475-T478 PolarHBondContact O-OG1 2.96Å
476	P	47.4	Very low	54.2	Low	95 Å²	95	93.4 Å²	93.4	62%	0.617	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-65.4	-22.1	-159.4	22.9	-34.1	0	0	0	115.1
477	Y	53.7	Low	56.1	Low	69 Å²	69	96.5 Å²	96.5	27%	0.271	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-81.2	-15.3	178.8	41.9	-86.9	0	0	0	114.1	M475 R479 D589	M475-Y477 HydrophobicContact CB-CD1 4.48Å; M475-Y477 HydrophobicContact CB-CE1 4.01Å; M475-Y477 HydrophobicContact CB-CE2 4.34Å; M475-Y477 HydrophobicContact CE-CE1 3.91Å; M475-Y477 WeakPolarHBondContact CE-OH 3.47Å; M475-Y477 PolarHBondContact O-N 3.35Å; Y477-R479 PolarHBondContact O-N 2.89Å; Y477-D589 WeakPolarHBondContact CE2-OD2 3.17Å; Y477-D589 PolarHBondContact OH-OD2 3.11Å
478	T	46.2	Very low	57.9	Low	92 Å²	92	93.7 Å²	93.7	56%	0.564	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-74.4	-13	177.3	63	0	0	0	0	113.7	M475	M475-T478 HydrophobicContact CB-CG2 4.31Å; M475-T478 PolarHBondContact O-N 2.87Å; M475-T478 PolarHBondContact O-OG1 2.96Å
479	R	55.9	Low	60	Low	136 Å²	136	91.5 Å²	91.5	51%	0.513	49%	0.493	S	S	.	.	S	Bend	trans	-75.8	130.3	-171.3	-61.5	177.9	179.3	-170.9	-5	110.9	D472 G474 Y477 A481	D472-R479 PolarHBondContact O-NH2 2.96Å; D472-R479 VanDerWaalsContact O-NH2 3.12Å; G474-R479 PolarHBondContact O-NH2 2.67Å; Y477-R479 PolarHBondContact O-N 2.89Å; R479-A481 PolarHBondContact O-N 3.03Å
480	P	60.4	Low	62	Low	105 Å²	105	95.8 Å²	95.8	68%	0.682	50%	0.499	S	S	*	.	B	Isolated β-bridge	trans	-62.5	137.7	175.2	26.6	-33.8	0	0	0	110.4
481	A	70.1	Confident	64.1	Low	18 Å²	18	92.4 Å²	92.4	15%	0.149	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-69.3	139.5	-177.1	0	0	0	0	0	110.7	R479 F483 I498 I835 F904	R479-A481 PolarHBondContact O-N 3.03Å; A481-F483 PolarHBondContact O-N 2.89Å; A481-I498 HydrophobicContact CB-CG2 4.36Å; A481-I835 HydrophobicContact CB-CG2 3.62Å; A481-F904 HydrophobicContact CB-CE1 4.22Å
482	K	79.6	Confident	65.8	Low	159 Å²	159	90.2 Å²	90.2	69%	0.691	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	110.9	-177.7	-64.4	-164.6	176.2	-165.4	0	110.3	K836	K482-K836 HydrophobicContact CB-CB 3.99Å; K482-K836 PolarHBondContact O-N 2.82Å
483	F	86.6	Confident	68.1	Low	66 Å²	66	86.9 Å²	86.9	29%	0.289	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143	-177.5	-178	-95	0	0	0	112	A481 A485 F493 D496 E833 G834	A481-F483 PolarHBondContact O-N 2.89Å; F483-A485 HydrophobicContact CE1-CB 3.98Å; F483-A485 HydrophobicContact CZ-CB 4.2Å; F483-F493 HydrophobicContact CE1-CD1 4.05Å; F483-F493 HydrophobicContact CE1-CD2 4.06Å; F483-F493 HydrophobicContact CE1-CE1 4.27Å; F483-F493 HydrophobicContact CE1-CE2 4.28Å; F483-F493 AromaticContact CE1-CG 3.95Å; F483-F493 HydrophobicContact CE1-CG 3.95Å; F483-F493 HydrophobicContact CE1-CZ 4.38Å; F483-F493 HydrophobicContact CZ-CB 3.85Å; F483-F493 AromaticContact CZ-CD1 3.71Å; F483-F493 HydrophobicContact CZ-CD1 3.71Å; F483-F493 HydrophobicContact CZ-CD2 4.2Å; F483-F493 HydrophobicContact CZ-CE1 4.33Å; F483-F493 AromaticContact CZ-CG 3.64Å; F483-F493 HydrophobicContact CZ-CG 3.64Å; F483-D496 HydrophobicContact CE2-CB 4.35Å; F483-D496 HydrophobicContact CZ-CB 4.41Å; F483-E833 HydrophobicContact CE2-CB 3.94Å; F483-E833 HydrophobicContact CE2-CG 4.03Å; F483-E833 WeakPolarHBondContact CE2-OE2 3.14Å; F483-E833 HydrophobicContact CZ-CB 4.21Å; F483-E833 HydrophobicContact CZ-CG 3.86Å; F483-G834 CarbonylContact C-O 3.51Å
484	K	89.1	Confident	70.5	Confident	47 Å²	47	79.7 Å²	79.7	20%	0.204	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.4	165.7	59	168.3	-165.7	-159.8	0	109.5	D806 Y808 Y810 W832 G834	K484-D806 IonicContact NZ-OD2 3.64Å; K484-D806 PolarHBondContact NZ-OD2 2.96Å; K484-Y808 HydrophobicContact CD-CD1 3.72Å; K484-Y808 HydrophobicContact CD-CE1 3.47Å; K484-Y808 VanDerWaalsContact CD-CE1 3.47Å; K484-Y808 HydrophobicContact CD-CE2 4.33Å; K484-Y808 HydrophobicContact CD-CG 4.25Å; K484-Y808 VanDerWaalsContact CE-CG 3.4Å; K484-Y808 HydrophobicContact CG-CD1 3.84Å; K484-Y808 HydrophobicContact CG-CE1 3.64Å; K484-Y808 VanDerWaalsContact NZ-CE2 3.31Å; K484-Y810 WeakPolarHBondContact CE-OH 3.33Å; K484-Y810 PolarHBondContact NZ-OH 2.9Å; K484-W832 HydrophobicContact CD-CH2 4.21Å; K484-W832 HydrophobicContact CD-CZ3 4.04Å; K484-W832 HydrophobicContact CG-CZ3 3.97Å; K484-G834 VanDerWaalsContact CG-O 3.29Å; K484-G834 WeakPolarHBondContact CG-O 3.37Å; K484-G834 PolarHBondContact N-O 3.47Å; K484-G834 WeakPolarHBondContact O-CA 3.43Å; K484-G834 PolarHBondContact O-N 3.44Å
485	A	88.1	Confident	72.9	Confident	30 Å²	30	78.7 Å²	78.7	25%	0.248	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164.9	173.1	0	0	0	0	0	111.1	F483 H487 F489 F493 W832	F483-A485 HydrophobicContact CE1-CB 3.98Å; F483-A485 HydrophobicContact CZ-CB 4.2Å; A485-H487 PolarHBondContact O-N 3.16Å; A485-F489 HydrophobicContact CB-CD1 4.33Å; A485-F493 HydrophobicContact CB-CD1 4.14Å; A485-F493 HydrophobicContact CB-CE1 3.53Å; A485-F493 HydrophobicContact CB-CZ 4.2Å; A485-W832 WeakPolarHBondContact CA-O 3.42Å
486	A	84.6	Confident	74.9	Confident	5 Å²	5	77.5 Å²	77.5	4%	0.041	41%	0.405	C	S	.	.			trans	-58.2	136.1	168.9	0	0	0	0	0	110.9	S488 F489 D830 W832	A486-S488 PolarHBondContact O-N 3.33Å; A486-F489 HydrophobicContact CB-CB 4.19Å; A486-F489 WeakPolarHBondContact O-CA 3.43Å; A486-F489 WeakPolarHBondContact O-CB 3.44Å; A486-F489 PolarHBondContact O-N 3.01Å; A486-D830 WeakPolarHBondContact CB-O 3.45Å; A486-W832 HydrophobicContact CB-CD2 3.98Å; A486-W832 HydrophobicContact CB-CG 4.09Å; A486-W832 HydrophobicContact CB-CZ2 4.2Å; A486-W832 PolarHBondContact N-O 2.85Å
487	H	75.6	Confident	76.7	Confident	187 Å²	187	78.4 Å²	78.4	87%	0.866	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.5	-179.3	-172.9	-41.4	0	0	0	113.5	A485 F489	A485-H487 PolarHBondContact O-N 3.16Å; H487-F489 VanDerWaalsContact C-N 3.34Å
488	S	73.9	Confident	78.3	Confident	67 Å²	67	75.3 Å²	75.3	47%	0.469	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.9	172.6	47.6	0	0	0	0	113.5	A486	A486-S488 PolarHBondContact O-N 3.33Å
489	F	79	Confident	80.4	Confident	45 Å²	45	76.9 Å²	76.9	20%	0.197	39%	0.388	C	S	.	.			trans	-91.5	114.7	-176.6	-162	-145.4	0	0	0	110.7	A485 A486 H487 P492 F493 F831 E833	A485-F489 HydrophobicContact CB-CD1 4.33Å; A486-F489 HydrophobicContact CB-CB 4.19Å; A486-F489 WeakPolarHBondContact O-CA 3.43Å; A486-F489 WeakPolarHBondContact O-CB 3.44Å; A486-F489 PolarHBondContact O-N 3.01Å; H487-F489 VanDerWaalsContact C-N 3.34Å; F489-P492 VanDerWaalsContact CZ-O 3.3Å; F489-P492 WeakPolarHBondContact CZ-O 3.49Å; F489-F493 AromaticContact CD1-CD1 3.72Å; F489-F493 HydrophobicContact CD1-CD1 3.72Å; F489-F493 AromaticContact CD1-CE1 3.7Å; F489-F493 HydrophobicContact CD1-CE1 3.7Å; F489-F493 AromaticContact CE1-CD1 3.59Å; F489-F493 HydrophobicContact CE1-CD1 3.59Å; F489-F493 HydrophobicContact CE1-CE1 4.05Å; F489-F493 HydrophobicContact CG-CE1 4.29Å; F489-F493 HydrophobicContact CZ-CD1 4.4Å; F489-F831 HydrophobicContact CB-CB 4.46Å; F489-F831 HydrophobicContact CB-CD1 3.86Å; F489-F831 HydrophobicContact CD2-CB 4.32Å; F489-F831 HydrophobicContact CD2-CD1 4.02Å; F489-F831 HydrophobicContact CD2-CG 4.43Å; F489-F831 HydrophobicContact CG-CB 4.33Å; F489-F831 HydrophobicContact CG-CD1 4.24Å; F489-E833 HydrophobicContact CD1-CG 4.26Å; F489-E833 HydrophobicContact CE1-CG 3.93Å; F489-E833 WeakPolarHBondContact CE1-OE1 3.1Å
490	K	79.1	Confident	82	Confident	195 Å²	195	71.5 Å²	71.5	85%	0.848	37%	0.371	S	S	*	.			trans	-106.2	23.4	-178.5	-62.6	-170.8	174.8	-171.3	0	112.9
491	G	78.1	Confident	83.4	Confident	25 Å²	25	68.3 Å²	68.3	26%	0.258	35%	0.349	S	S	.	.			trans	73	-171.8	-173.4	0	0	0	0	0	114.4
492	P	80.3	Confident	84.4	Confident	109 Å²	109	67.8 Å²	67.8	71%	0.708	34%	0.343	S	S	*	.			cis	-57.9	145.8	-7.1	28.2	-36.1	0	0	0	111	F489	F489-P492 VanDerWaalsContact CZ-O 3.3Å; F489-P492 WeakPolarHBondContact CZ-O 3.49Å
493	F	85.8	Confident	85	Confident	56 Å²	56	62.9 Å²	62.9	25%	0.246	33%	0.325	C	S	.	.			trans	-89.9	152.9	178.1	-55.7	-62.4	0	0	0	109.6	F483 A485 F489 D496 E833	F483-F493 HydrophobicContact CE1-CD1 4.05Å; F483-F493 HydrophobicContact CE1-CD2 4.06Å; F483-F493 HydrophobicContact CE1-CE1 4.27Å; F483-F493 HydrophobicContact CE1-CE2 4.28Å; F483-F493 AromaticContact CE1-CG 3.95Å; F483-F493 HydrophobicContact CE1-CG 3.95Å; F483-F493 HydrophobicContact CE1-CZ 4.38Å; F483-F493 HydrophobicContact CZ-CB 3.85Å; F483-F493 AromaticContact CZ-CD1 3.71Å; F483-F493 HydrophobicContact CZ-CD1 3.71Å; F483-F493 HydrophobicContact CZ-CD2 4.2Å; F483-F493 HydrophobicContact CZ-CE1 4.33Å; F483-F493 AromaticContact CZ-CG 3.64Å; F483-F493 HydrophobicContact CZ-CG 3.64Å; A485-F493 HydrophobicContact CB-CD1 4.14Å; A485-F493 HydrophobicContact CB-CE1 3.53Å; A485-F493 HydrophobicContact CB-CZ 4.2Å; F489-F493 AromaticContact CD1-CD1 3.72Å; F489-F493 HydrophobicContact CD1-CD1 3.72Å; F489-F493 AromaticContact CD1-CE1 3.7Å; F489-F493 HydrophobicContact CD1-CE1 3.7Å; F489-F493 AromaticContact CE1-CD1 3.59Å; F489-F493 HydrophobicContact CE1-CD1 3.59Å; F489-F493 HydrophobicContact CE1-CE1 4.05Å; F489-F493 HydrophobicContact CG-CE1 4.29Å; F489-F493 HydrophobicContact CZ-CD1 4.4Å; F493-D496 HydrophobicContact CB-CB 3.91Å; F493-D496 HydrophobicContact CD2-CB 4.38Å; F493-E833 WeakPolarHBondContact CA-OE1 3.14Å; F493-E833 HydrophobicContact CD1-CG 4.38Å
494	D	86.8	Confident	85.3	Confident	38 Å²	38	59.8 Å²	59.8	20%	0.203	31%	0.311	C	S	.	.	S	Bend	trans	-95.2	-28.1	178.4	-72.7	-48.5	0	0	0	112.2	F799 E833 N906 K908	D494-F799 HydrophobicContact CB-CE1 4.04Å; D494-F799 HydrophobicContact CB-CZ 3.96Å; D494-F799 WeakPolarHBondContact OD2-CE1 3.31Å; D494-E833 PolarHBondContact N-OE1 3.09Å; D494-E833 PolarHBondContact N-OE2 2.64Å; D494-N906 PolarHBondContact O-ND2 3.28Å; D494-K908 IonicContact OD1-NZ 2.7Å; D494-K908 PolarHBondContact OD1-NZ 3.47Å
495	F	89.2	Confident	85.3	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.009	32%	0.317	C	S	.	.	S	Bend	trans	-126.2	25.2	-172.6	-60.5	-93.4	0	0	0	114.2	Q497 I498 F799 I811 E833 I835 F847 E890 N906	F495-Q497 VanDerWaalsContact C-N 3.28Å; F495-Q497 PolarHBondContact O-N 2.86Å; F495-I498 HydrophobicContact CD1-CD1 4.36Å; F495-I498 VanDerWaalsContact O-CG2 3.26Å; F495-I498 WeakPolarHBondContact O-CG2 3.24Å; F495-I498 PolarHBondContact O-N 3.28Å; F495-F799 AromaticContact CE2-CD1 3.82Å; F495-F799 HydrophobicContact CE2-CD1 3.82Å; F495-F799 HydrophobicContact CE2-CD2 4.25Å; F495-F799 AromaticContact CE2-CE1 3.67Å; F495-F799 HydrophobicContact CE2-CE1 3.67Å; F495-F799 HydrophobicContact CE2-CE2 4.1Å; F495-F799 HydrophobicContact CE2-CG 4.12Å; F495-F799 AromaticContact CE2-CZ 3.82Å; F495-F799 HydrophobicContact CE2-CZ 3.82Å; F495-F799 HydrophobicContact CZ-CD1 4.28Å; F495-F799 AromaticContact CZ-CD2 3.93Å; F495-F799 HydrophobicContact CZ-CD2 3.93Å; F495-F799 HydrophobicContact CZ-CE1 4.3Å; F495-F799 AromaticContact CZ-CE2 3.94Å; F495-F799 HydrophobicContact CZ-CE2 3.94Å; F495-F799 HydrophobicContact CZ-CG 4.12Å; F495-F799 HydrophobicContact CZ-CZ 4.13Å; F495-I811 HydrophobicContact CB-CD1 4.38Å; F495-I811 HydrophobicContact CD1-CD1 3.71Å; F495-I811 HydrophobicContact CD2-CD1 3.81Å; F495-I811 HydrophobicContact CD2-CG2 4.16Å; F495-I811 HydrophobicContact CE1-CD1 3.87Å; F495-I811 HydrophobicContact CE2-CB 4.48Å; F495-I811 HydrophobicContact CE2-CD1 3.98Å; F495-I811 HydrophobicContact CE2-CG2 3.68Å; F495-I811 HydrophobicContact CG-CD1 3.69Å; F495-I811 HydrophobicContact CZ-CD1 4.01Å; F495-I811 HydrophobicContact CZ-CG2 4.15Å; F495-E833 WeakPolarHBondContact CA-OE2 3.44Å; F495-E833 WeakPolarHBondContact CB-OE2 3.4Å; F495-E833 PolarHBondContact N-OE2 2.93Å; F495-I835 HydrophobicContact CB-CD1 4.23Å; F495-F847 AromaticContact CE1-CE1 3.96Å; F495-F847 HydrophobicContact CE1-CE1 3.96Å; F495-F847 HydrophobicContact CE1-CZ 4.2Å; F495-F847 HydrophobicContact CZ-CE1 4.08Å; F495-F847 AromaticContact CZ-CZ 3.96Å; F495-F847 HydrophobicContact CZ-CZ 3.96Å; F495-E890 HydrophobicContact CE1-CB 3.85Å; F495-E890 HydrophobicContact CE1-CG 4.02Å; F495-E890 HydrophobicContact CZ-CB 4.47Å; F495-E890 HydrophobicContact CZ-CG 4.14Å; F495-N906 HydrophobicContact CD1-CB 3.93Å; F495-N906 WeakPolarHBondContact CD1-ND2 3.22Å; F495-N906 HydrophobicContact CE1-CB 4.37Å
496	D	84.6	Confident	85.2	Confident	81 Å²	81	62.1 Å²	62.1	43%	0.433	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.4	176.4	65.4	-11.8	0	0	0	113.6	F483 F493	F483-D496 HydrophobicContact CE2-CB 4.35Å; F483-D496 HydrophobicContact CZ-CB 4.41Å; F493-D496 HydrophobicContact CB-CB 3.91Å; F493-D496 HydrophobicContact CD2-CB 4.38Å
497	Q	83.8	Confident	85.5	Confident	115 Å²	115	63.9 Å²	63.9	54%	0.537	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	13.8	179.4	-74	173.1	74.9	0	0	114.2	F495 K499	F495-Q497 VanDerWaalsContact C-N 3.28Å; F495-Q497 PolarHBondContact O-N 2.86Å; Q497-K499 PolarHBondContact O-N 2.94Å
498	I	88.8	Confident	86.4	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	31%	0.312	C	S	.	.			trans	-67	132.2	-178.5	-163.5	172.8	0	0	0	112.6	A481 F495 I835 L892 F904 N906	A481-I498 HydrophobicContact CB-CG2 4.36Å; F495-I498 HydrophobicContact CD1-CD1 4.36Å; F495-I498 VanDerWaalsContact O-CG2 3.26Å; F495-I498 WeakPolarHBondContact O-CG2 3.24Å; F495-I498 PolarHBondContact O-N 3.28Å; I498-I835 HydrophobicContact CD1-CD1 3.79Å; I498-I835 HydrophobicContact CG2-CD1 4.05Å; I498-I835 HydrophobicContact CG2-CG1 4.03Å; I498-I835 HydrophobicContact CG2-CG2 4.05Å; I498-L892 HydrophobicContact CD1-CD2 3.92Å; I498-F904 HydrophobicContact CD1-CB 3.65Å; I498-F904 HydrophobicContact CD1-CD1 4.21Å; I498-F904 HydrophobicContact CD1-CG 4.21Å; I498-F904 HydrophobicContact CG1-CB 3.85Å; I498-F904 HydrophobicContact CG1-CD1 4.28Å; I498-N906 HydrophobicContact CB-CB 4.14Å; I498-N906 HydrophobicContact CD1-CB 4.48Å; I498-N906 HydrophobicContact CG1-CB 4.02Å; I498-N906 PolarHBondContact N-OD1 3.1Å
499	K	88.7	Confident	87.3	Confident	124 Å²	124	57.5 Å²	57.5	54%	0.539	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.4	-179.5	-63.1	176.7	-173.3	179.7	0	110.7	Q497 F904 I905	Q497-K499 PolarHBondContact O-N 2.94Å; K499-F904 CarbonylContact O-C 3.48Å; K499-F904 WeakPolarHBondContact O-CA 3.47Å; K499-I905 PolarHBondContact N-O 3.29Å; K499-I905 PolarHBondContact O-N 3.18Å
500	V	89.6	Confident	87.9	Confident	24 Å²	24	56.3 Å²	56.3	15%	0.145	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.9	160.9	179.8	0	0	0	0	107.5	V903 F904	V500-V903 WeakPolarHBondContact CA-O 3.12Å; V500-F904 HydrophobicContact CG2-CD1 3.88Å; V500-F904 HydrophobicContact CG2-CE1 3.45Å; V500-F904 VanDerWaalsContact CG2-CE1 3.45Å; V500-F904 HydrophobicContact CG2-CZ 3.98Å
501	V	90.3	Very high	88.6	Confident	37 Å²	37	47 Å²	47	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-18.7	174.9	-57.8	0	0	0	0	113.4	P593 V903 I905	V501-P593 HydrophobicContact CG2-CG 4.38Å; V501-V903 HydrophobicContact CG2-CB 4.01Å; V501-V903 HydrophobicContact CG2-CG1 3.77Å; V501-V903 PolarHBondContact N-O 3.36Å; V501-I905 HydrophobicContact CB-CD1 4.38Å; V501-I905 HydrophobicContact CB-CG1 4.36Å; V501-I905 HydrophobicContact CG1-CB 3.91Å; V501-I905 HydrophobicContact CG1-CD1 3.94Å; V501-I905 HydrophobicContact CG1-CG1 3.74Å; V501-I905 HydrophobicContact CG2-CD1 3.83Å; V501-I905 HydrophobicContact CG2-CG1 3.71Å
502	Q	91.6	Very high	89.4	Confident	7 Å²	7	45.9 Å²	45.9	3%	0.033	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	143.6	174.6	-175.4	169.7	18.9	0	0	109.7	L504 A592 F594 V903	Q502-L504 HydrophobicContact CG-CD2 3.94Å; Q502-L504 HydrophobicContact CG-CG 4.18Å; Q502-A592 HydrophobicContact CB-CB 4.21Å; Q502-A592 HydrophobicContact CG-CB 4.06Å; Q502-F594 PolarHBondContact NE2-O 3.07Å; Q502-F594 PolarHBondContact OE1-O 3.01Å; Q502-V903 HydrophobicContact CB-CB 4.1Å; Q502-V903 HydrophobicContact CB-CG2 4.03Å; Q502-V903 PolarHBondContact O-N 3.38Å
503	D	91.9	Very high	90.2	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.1	170.4	-160.3	-35.6	0	0	0	108.4	S505 Q596 K902	D503-S505 WeakPolarHBondContact OD1-CB 3.41Å; D503-S505 PolarHBondContact OD1-N 2.73Å; D503-S505 PolarHBondContact OD1-OG 2.61Å; D503-Q596 PolarHBondContact O-NE2 3.34Å; D503-K902 HydrophobicContact CB-CG 4.36Å; D503-K902 WeakPolarHBondContact OD2-CE 3.46Å
504	L	92.8	Very high	90.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.23	C	C	.	.			trans	-105.8	20.5	-177.8	-64.4	175.3	0	0	0	111.4	Q502 W536 F594 I901 V903	Q502-L504 HydrophobicContact CG-CD2 3.94Å; Q502-L504 HydrophobicContact CG-CG 4.18Å; L504-W536 HydrophobicContact CB-CH2 3.89Å; L504-W536 HydrophobicContact CB-CZ2 4.31Å; L504-W536 HydrophobicContact CB-CZ3 4.02Å; L504-W536 HydrophobicContact CD1-CD2 4.11Å; L504-W536 HydrophobicContact CD1-CE3 4.04Å; L504-W536 HydrophobicContact CD1-CG 4.5Å; L504-W536 HydrophobicContact CD1-CZ3 4.38Å; L504-W536 HydrophobicContact CD2-CE3 3.96Å; L504-W536 HydrophobicContact CD2-CZ3 3.79Å; L504-W536 HydrophobicContact CG-CE3 4.4Å; L504-W536 HydrophobicContact CG-CZ3 4.28Å; L504-W536 WeakPolarHBondContact O-CH2 3.37Å; L504-F594 HydrophobicContact CD1-CB 4.31Å; L504-F594 HydrophobicContact CD1-CD2 4.4Å; L504-F594 HydrophobicContact CD1-CG 4.34Å; L504-F594 HydrophobicContact CD2-CB 4.37Å; L504-I901 HydrophobicContact CB-CB 4.01Å; L504-I901 HydrophobicContact CB-CG2 4.13Å; L504-I901 HydrophobicContact CD1-CG2 4.25Å; L504-I901 PolarHBondContact N-O 3Å; L504-V903 HydrophobicContact CD1-CG2 4.15Å
505	S	89.4	Confident	91.1	Very high	48 Å²	48	37.6 Å²	37.6	34%	0.336	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	163.4	176.8	-60	0	0	0	0	113.5	D503 E507 A900	D503-S505 WeakPolarHBondContact OD1-CB 3.41Å; D503-S505 PolarHBondContact OD1-N 2.73Å; D503-S505 PolarHBondContact OD1-OG 2.61Å; S505-E507 VanDerWaalsContact C-N 3.34Å; S505-A900 WeakPolarHBondContact OG-CA 3.48Å; S505-A900 WeakPolarHBondContact OG-CB 3.28Å
506	G	85.3	Confident	91.5	Very high	78 Å²	78	40.4 Å²	40.4	80%	0.804	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-14.5	176.6	0	0	0	0	0	114.8
507	E	91.9	Very high	92.1	Very high	42 Å²	42	37.8 Å²	37.8	20%	0.196	22%	0.218	C	C	.	.	S	Bend	trans	-86	-37.9	177.7	-98.1	-73.7	165.9	0	0	114.1	S505 R534 W536 P598 K601	S505-E507 VanDerWaalsContact C-N 3.34Å; E507-R534 PolarHBondContact O-NE 2.97Å; E507-R534 PolarHBondContact O-NH2 3.35Å; E507-R534 IonicContact OE2-NE 2.7Å; E507-R534 PolarHBondContact OE2-NE 2.58Å; E507-W536 HydrophobicContact CB-CH2 3.63Å; E507-W536 HydrophobicContact CB-CZ2 4.09Å; E507-W536 HydrophobicContact CG-CH2 3.75Å; E507-W536 HydrophobicContact CG-CZ3 4.37Å; E507-P598 HydrophobicContact CG-CG 4.38Å; E507-K601 WeakPolarHBondContact OE1-CE 3.24Å; E507-K601 IonicContact OE1-NZ 3.8Å; E507-K601 PolarHBondContact OE1-NZ 2.79Å; E507-K601 WeakPolarHBondContact OE2-CE 3.12Å; E507-K601 IonicContact OE2-NZ 2.97Å; E507-K601 PolarHBondContact OE2-NZ 3.24Å
508	H	93.1	Very high	92.7	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.046	19%	0.193	C	C	.	.	S	Bend	trans	-92.2	141.1	176.2	-76.1	-94.5	0	0	0	111.3	V512 T526 D530 R534 I901	H508-V512 HydrophobicContact CB-CG2 3.93Å; H508-T526 PolarHBondContact CE1-OG1 2.7Å; H508-T526 PolarHBondContact NE2-OG1 3.42Å; H508-D530 WeakPolarHBondContact CA-OD2 3.48Å; H508-D530 IonicContact ND1-OD1 3.63Å; H508-D530 IonicContact ND1-OD2 2.65Å; H508-R534 PolarHBondContact CE1-NH1 3.3Å; H508-R534 PolarHBondContact ND1-NH1 3.23Å; H508-I901 VanDerWaalsContact CD2-CD1 3.47Å; H508-I901 WeakPolarHBondContact CD2-CD1 3.4Å
509	T	93	Very high	92.8	Very high	111 Å²	111	37.5 Å²	37.5	68%	0.681	22%	0.216	S	C	*	.	S	Bend	trans	-103.3	88	178.2	-52.8	0	0	0	0	110.9	D530	T509-D530 PolarHBondContact N-OD2 3.15Å
510	G	91.1	Very high	92.9	Very high	20 Å²	20	32.9 Å²	32.9	21%	0.206	20%	0.2	C	C	.	.	S	Bend	trans	94.3	-166.5	-175.5	0	0	0	0	0	113.3	V512 F897 T898 G899	G510-V512 PolarHBondContact O-N 3.12Å; G510-F897 CarbonylContact C-O 3.57Å; G510-T898 WeakPolarHBondContact CA-O 2.95Å; G510-T898 PolarHBondContact N-O 3.06Å; G510-G899 WeakPolarHBondContact O-CA 3.3Å; G510-G899 PolarHBondContact O-N 3.35Å
511	A	93.7	Very high	93.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.193	C	C	.	.			trans	-65.1	126	-157.9	0	0	0	0	0	114.7	W513 G528 Q529 F897	A511-W513 HydrophobicContact CB-CD2 4Å; A511-W513 HydrophobicContact CB-CE3 3.87Å; A511-W513 HydrophobicContact CB-CH2 3.35Å; A511-W513 HydrophobicContact CB-CZ2 3.5Å; A511-W513 VanDerWaalsContact CB-CZ2 3.5Å; A511-W513 HydrophobicContact CB-CZ3 3.55Å; A511-W513 PolarHBondContact O-N 2.7Å; A511-G528 CarbonylContact O-C 3.55Å; A511-G528 WeakPolarHBondContact O-CA 3.32Å; A511-Q529 HydrophobicContact CB-CB 4.44Å; A511-Q529 VanDerWaalsContact N-OE1 3.15Å; A511-Q529 PolarHBondContact O-N 3.13Å; A511-F897 WeakPolarHBondContact CA-O 3.5Å; A511-F897 HydrophobicContact CB-CB 4.44Å; A511-F897 HydrophobicContact CB-CD1 4.49Å; A511-F897 HydrophobicContact CB-CD2 4.05Å; A511-F897 HydrophobicContact CB-CE2 4.4Å; A511-F897 HydrophobicContact CB-CG 4.08Å; A511-F897 WeakPolarHBondContact CB-O 3.39Å; A511-F897 PolarHBondContact N-O 3.29Å; A511-F897 VanDerWaalsContact N-O 3.12Å
512	V	96.6	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	101.3	170.7	174.2	0	0	0	0	108.7	H508 G510 M515 T843 A895 D896 I901	H508-V512 HydrophobicContact CB-CG2 3.93Å; G510-V512 PolarHBondContact O-N 3.12Å; V512-M515 HydrophobicContact CG1-CG 3.88Å; V512-T843 WeakPolarHBondContact O-CB 3.44Å; V512-T843 PolarHBondContact O-OG1 3.28Å; V512-A895 HydrophobicContact CB-CB 3.84Å; V512-A895 HydrophobicContact CG1-CB 3.78Å; V512-A895 HydrophobicContact CG2-CB 4.47Å; V512-D896 PolarHBondContact N-O 3.25Å; V512-I901 HydrophobicContact CG2-CD1 4.21Å; V512-I901 HydrophobicContact CG2-CG1 4.22Å
513	W	95.4	Very high	93.5	Very high	22 Å²	22	34.6 Å²	34.6	8%	0.083	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-27.4	-175.8	-60.7	133.6	0	0	0	113.9	N380 A511 A527 D608 L609 T843 F897	N380-W513 HydrophobicContact CB-CH2 3.49Å; N380-W513 VanDerWaalsContact CB-CH2 3.49Å; N380-W513 HydrophobicContact CB-CZ2 4.06Å; N380-W513 HydrophobicContact CB-CZ3 3.75Å; N380-W513 WeakPolarHBondContact ND2-CH2 3.5Å; N380-W513 WeakPolarHBondContact ND2-CZ2 3.3Å; N380-W513 WeakPolarHBondContact ND2-CZ3 3.38Å; A511-W513 HydrophobicContact CB-CD2 4Å; A511-W513 HydrophobicContact CB-CE3 3.87Å; A511-W513 HydrophobicContact CB-CH2 3.35Å; A511-W513 HydrophobicContact CB-CZ2 3.5Å; A511-W513 VanDerWaalsContact CB-CZ2 3.5Å; A511-W513 HydrophobicContact CB-CZ3 3.55Å; A511-W513 PolarHBondContact O-N 2.7Å; W513-A527 PolarHBondContact N-O 2.69Å; W513-D608 PolarHBondContact NE1-OD2 3.41Å; W513-L609 WeakPolarHBondContact CB-O 3.47Å; W513-L609 VanDerWaalsContact CD1-O 3.24Å; W513-T843 HydrophobicContact CE3-CG2 3.91Å; W513-T843 HydrophobicContact CZ3-CG2 3.76Å; W513-F897 AromaticContact CH2-CD2 3.92Å; W513-F897 HydrophobicContact CH2-CD2 3.92Å; W513-F897 AromaticContact CH2-CE2 3.52Å; W513-F897 HydrophobicContact CH2-CE2 3.52Å; W513-F897 HydrophobicContact CH2-CZ 4.26Å; W513-F897 HydrophobicContact CZ3-CD2 4.04Å; W513-F897 HydrophobicContact CZ3-CE2 4.05Å
514	T	96.2	Very high	93.8	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	144.3	-174.7	-175.2	0	0	0	0	112.5	T526 A527 D611 L612	T514-T526 WeakPolarHBondContact O-CA 3.48Å; T514-A527 HydrophobicContact CG2-CB 3.98Å; T514-A527 PolarHBondContact N-O 3.19Å; T514-A527 VanDerWaalsContact N-O 3.1Å; T514-A527 PolarHBondContact O-N 3.06Å; T514-D611 PolarHBondContact OG1-OD1 2.75Å; T514-L612 HydrophobicContact CG2-CB 4.28Å; T514-L612 HydrophobicContact CG2-CD1 3.87Å; T514-L612 HydrophobicContact CG2-CG 3.69Å
515	M	97.1	Very high	94	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.6	174.3	-60.7	-161.1	-70.5	0	0	109.1	V512 L524 A525 T526 V846 L893 A895 I901	V512-M515 HydrophobicContact CG1-CG 3.88Å; M515-L524 HydrophobicContact CB-CD1 4.48Å; M515-A525 CarbonylContact C-O 3.6Å; M515-A525 WeakPolarHBondContact CA-O 3.42Å; M515-T526 HydrophobicContact CB-CG2 4.36Å; M515-T526 HydrophobicContact CG-CG2 3.86Å; M515-T526 HydrophobicContact SD-CG2 4.08Å; M515-V846 HydrophobicContact CB-CG2 4.29Å; M515-V846 HydrophobicContact CE-CG2 4.18Å; M515-L893 HydrophobicContact CE-CB 4.42Å; M515-A895 HydrophobicContact CE-CB 3.82Å; M515-A895 HydrophobicContact CG-CB 4.35Å; M515-A895 HydrophobicContact SD-CB 3.65Å; M515-I901 HydrophobicContact SD-CG2 4.34Å
516	K	97.3	Very high	94.5	Very high	62 Å²	62	29.6 Å²	29.6	27%	0.27	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	126.5	174.1	-73	-62.6	-176.6	-178.4	0	111.1	A525 L612 W614 E748	K516-A525 PolarHBondContact N-O 3.15Å; K516-A525 PolarHBondContact O-N 3.2Å; K516-L612 HydrophobicContact CB-CB 4.48Å; K516-L612 HydrophobicContact CG-CB 4.32Å; K516-W614 PolarHBondContact O-NE1 2.95Å; K516-E748 IonicContact NZ-OE2 3.98Å; K516-E748 PolarHBondContact NZ-OE2 2.94Å
517	F	96.9	Very high	95	Very high	26 Å²	26	25.9 Å²	25.9	11%	0.114	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	148.4	165.9	-82.6	-81.3	0	0	0	111.2	G521 L523 L524 F594 W614 V846 F847 A848 P849 I854 L893	F517-G521 WeakPolarHBondContact CD1-O 3.47Å; F517-L523 WeakPolarHBondContact CA-O 3.21Å; F517-L523 WeakPolarHBondContact CD1-O 3.35Å; F517-L524 HydrophobicContact CD1-CB 4.36Å; F517-L524 HydrophobicContact CD1-CD1 4.18Å; F517-L524 HydrophobicContact CD2-CD1 3.82Å; F517-L524 HydrophobicContact CE1-CB 4.28Å; F517-L524 HydrophobicContact CE1-CD1 4.2Å; F517-L524 HydrophobicContact CE2-CD1 3.83Å; F517-L524 HydrophobicContact CG-CD1 4Å; F517-L524 HydrophobicContact CZ-CD1 4.03Å; F517-F594 HydrophobicContact CE1-CE1 4.5Å; F517-F594 AromaticContact CE1-CZ 3.97Å; F517-F594 HydrophobicContact CE1-CZ 3.97Å; F517-F594 HydrophobicContact CZ-CZ 4.18Å; F517-W614 VanDerWaalsContact C-CD1 3.4Å; F517-V846 HydrophobicContact CD2-CG2 4.14Å; F517-V846 HydrophobicContact CE2-CG2 4.05Å; F517-F847 WeakPolarHBondContact CD2-O 3.27Å; F517-A848 HydrophobicContact CE1-CB 4.3Å; F517-A848 HydrophobicContact CE2-CB 3.98Å; F517-A848 HydrophobicContact CZ-CB 3.76Å; F517-P849 HydrophobicContact CB-CG 3.96Å; F517-P849 VanDerWaalsContact CG-CD 3.46Å; F517-P849 HydrophobicContact CG-CG 4.25Å; F517-I854 HydrophobicContact CE1-CD1 4.32Å; F517-I854 HydrophobicContact CZ-CD1 4.39Å; F517-L893 HydrophobicContact CE2-CD1 4.06Å; F517-L893 HydrophobicContact CE2-CD2 4.25Å; F517-L893 HydrophobicContact CZ-CD1 3.72Å; F517-L893 HydrophobicContact CZ-CD2 3.83Å; F517-L893 HydrophobicContact CZ-CG 4.37Å
518	S	96	Very high	95.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	12%	0.121	C	C	.	.			trans	-70	160.7	165.6	69.1	0	0	0	0	110.8	C520 G521 L523	S518-C520 PolarHBondContact O-N 3.17Å; S518-C520 PolarHBondContact OG-SG 2.59Å; S518-G521 PolarHBondContact O-N 2.95Å; S518-L523 PolarHBondContact N-O 2.81Å; S518-L523 PolarHBondContact OG-N 2.94Å; S518-L523 PolarHBondContact OG-O 3.01Å
519	H	91.6	Very high	95.3	Very high	110 Å²	110	27.2 Å²	27.2	51%	0.509	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.2	179.5	-71	102.6	0	0	0	114.9	W614 S615	H519-W614 PolarHBondContact CE1-O 3.47Å; H519-S615 PolarHBondContact CE1-O 3.09Å; H519-S615 VanDerWaalsContact ND1-C 3.28Å; H519-S615 PolarHBondContact ND1-O 3.45Å
520	C	90.9	Very high	95.3	Very high	28 Å²	28	23.2 Å²	23.2	19%	0.189	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	3.3	175.2	71.8	0	0	0	0	114.1	S518 R522 L853	S518-C520 PolarHBondContact O-N 3.17Å; S518-C520 PolarHBondContact OG-SG 2.59Å; C520-R522 PolarHBondContact O-N 2.93Å; C520-L853 WeakPolarHBondContact O-CD1 3.28Å
521	G	92.9	Very high	95.5	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	69.2	-16.3	179.8	0	0	0	0	0	116.7	F517 S518 L523 P849	F517-G521 WeakPolarHBondContact CD1-O 3.47Å; S518-G521 PolarHBondContact O-N 2.95Å; G521-L523 VanDerWaalsContact C-N 3.32Å; G521-L523 PolarHBondContact O-N 3.01Å; G521-P849 VanDerWaalsContact CA-CG 3.5Å
522	R	95	Very high	95.6	Very high	102 Å²	102	25.8 Å²	25.8	39%	0.385	12%	0.12	S	C	.	.	S	Bend	trans	-79	-10.1	-174.7	-62.2	172.2	-173.3	138.4	5.6	114.9	C520 L538 A541 F545 L853	C520-R522 PolarHBondContact O-N 2.93Å; R522-L538 HydrophobicContact CB-CD1 4.36Å; R522-L538 HydrophobicContact CG-CD1 4.29Å; R522-L538 PolarHBondContact O-N 3.08Å; R522-A541 HydrophobicContact CB-CB 3.82Å; R522-A541 HydrophobicContact CG-CB 4.07Å; R522-F545 HydrophobicContact CB-CE2 3.83Å; R522-F545 HydrophobicContact CB-CZ 4.32Å; R522-L853 HydrophobicContact CG-CD1 3.92Å
523	L	96.1	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142	177.3	-59.7	170.8	0	0	0	110.6	F517 S518 G521 I535 W536 V537 F545 W614 F618 I634	F517-L523 WeakPolarHBondContact CA-O 3.21Å; F517-L523 WeakPolarHBondContact CD1-O 3.35Å; S518-L523 PolarHBondContact N-O 2.81Å; S518-L523 PolarHBondContact OG-N 2.94Å; S518-L523 PolarHBondContact OG-O 3.01Å; G521-L523 VanDerWaalsContact C-N 3.32Å; G521-L523 PolarHBondContact O-N 3.01Å; L523-I535 HydrophobicContact CB-CG2 4.21Å; L523-I535 HydrophobicContact CD2-CG2 4.05Å; L523-W536 VanDerWaalsContact CA-O 3.31Å; L523-W536 WeakPolarHBondContact CA-O 3.49Å; L523-V537 HydrophobicContact CD2-CB 3.71Å; L523-V537 HydrophobicContact CD2-CG2 3.63Å; L523-F545 HydrophobicContact CD1-CD1 4.18Å; L523-F545 HydrophobicContact CD1-CD2 4.48Å; L523-F545 HydrophobicContact CD1-CE1 3.78Å; L523-F545 HydrophobicContact CD1-CE2 4.1Å; L523-F545 HydrophobicContact CD1-CZ 3.73Å; L523-F545 HydrophobicContact CD2-CD2 3.81Å; L523-F545 HydrophobicContact CD2-CE2 3.82Å; L523-F545 HydrophobicContact CD2-CG 4.28Å; L523-F545 HydrophobicContact CD2-CZ 4.32Å; L523-F545 HydrophobicContact CG-CD2 4.21Å; L523-F545 HydrophobicContact CG-CE1 4.33Å; L523-F545 HydrophobicContact CG-CE2 3.74Å; L523-F545 HydrophobicContact CG-CZ 3.81Å; L523-W614 HydrophobicContact CB-CH2 4.23Å; L523-W614 HydrophobicContact CB-CZ2 4.07Å; L523-W614 HydrophobicContact CD1-CH2 3.98Å; L523-W614 HydrophobicContact CD1-CZ3 4.49Å; L523-F618 HydrophobicContact CD1-CD1 4.37Å; L523-I634 HydrophobicContact CD1-CG2 4.18Å
524	L	97.6	Very high	95.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	172.1	178.3	78.8	0	0	0	108.8	M515 F517 T526 I535 W536 F594 L893	M515-L524 HydrophobicContact CB-CD1 4.48Å; F517-L524 HydrophobicContact CD1-CB 4.36Å; F517-L524 HydrophobicContact CD1-CD1 4.18Å; F517-L524 HydrophobicContact CD2-CD1 3.82Å; F517-L524 HydrophobicContact CE1-CB 4.28Å; F517-L524 HydrophobicContact CE1-CD1 4.2Å; F517-L524 HydrophobicContact CE2-CD1 3.83Å; F517-L524 HydrophobicContact CG-CD1 4Å; F517-L524 HydrophobicContact CZ-CD1 4.03Å; L524-T526 HydrophobicContact CD2-CG2 3.65Å; L524-T526 HydrophobicContact CG-CG2 3.81Å; L524-I535 CarbonylContact O-C 3.48Å; L524-I535 WeakPolarHBondContact O-CA 3.46Å; L524-W536 HydrophobicContact CB-CB 4.28Å; L524-W536 HydrophobicContact CD2-CG 4.48Å; L524-W536 PolarHBondContact N-O 3.38Å; L524-W536 PolarHBondContact O-N 2.9Å; L524-F594 HydrophobicContact CB-CE1 4.1Å; L524-L893 HydrophobicContact CD1-CD2 4.26Å; L524-L893 HydrophobicContact CD2-CD2 3.47Å; L524-L893 VanDerWaalsContact CD2-CD2 3.47Å; L524-L893 HydrophobicContact CG-CD2 4.42Å
525	A	98.1	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.6	167.6	0	0	0	0	0	110	M515 K516 I535 L612 W614 L620	M515-A525 CarbonylContact C-O 3.6Å; M515-A525 WeakPolarHBondContact CA-O 3.42Å; K516-A525 PolarHBondContact N-O 3.15Å; K516-A525 PolarHBondContact O-N 3.2Å; A525-I535 HydrophobicContact CB-CD1 3.67Å; A525-L612 HydrophobicContact CB-CD1 3.79Å; A525-W614 HydrophobicContact CB-CZ2 3.68Å; A525-L620 HydrophobicContact CB-CD1 4.04Å; A525-L620 HydrophobicContact CB-CD2 3.7Å
526	T	98.3	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140	179.4	59.5	0	0	0	0	109.8	H508 T514 M515 L524 R534 W536 I901	H508-T526 PolarHBondContact CE1-OG1 2.7Å; H508-T526 PolarHBondContact NE2-OG1 3.42Å; T514-T526 WeakPolarHBondContact O-CA 3.48Å; M515-T526 HydrophobicContact CB-CG2 4.36Å; M515-T526 HydrophobicContact CG-CG2 3.86Å; M515-T526 HydrophobicContact SD-CG2 4.08Å; L524-T526 HydrophobicContact CD2-CG2 3.65Å; L524-T526 HydrophobicContact CG-CG2 3.81Å; T526-R534 PolarHBondContact N-O 3.03Å; T526-R534 PolarHBondContact O-N 2.95Å; T526-R534 PolarHBondContact OG1-O 3.28Å; T526-W536 PolarHBondContact OG1-NE1 3.33Å; T526-I901 HydrophobicContact CG2-CD1 4.12Å
527	A	97.2	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.6	-175.6	0	0	0	0	0	111.5	W513 T514 V533 L609 L612	W513-A527 PolarHBondContact N-O 2.69Å; T514-A527 HydrophobicContact CG2-CB 3.98Å; T514-A527 PolarHBondContact N-O 3.19Å; T514-A527 VanDerWaalsContact N-O 3.1Å; T514-A527 PolarHBondContact O-N 3.06Å; A527-V533 HydrophobicContact CB-CG2 4.19Å; A527-L609 HydrophobicContact CB-CB 3.68Å; A527-L609 HydrophobicContact CB-CD1 3.87Å; A527-L609 HydrophobicContact CB-CD2 4.32Å; A527-L609 HydrophobicContact CB-CG 4.17Å; A527-L612 HydrophobicContact CB-CD1 3.71Å; A527-L612 HydrophobicContact CB-CD2 4.08Å; A527-L612 HydrophobicContact CB-CG 3.97Å
528	G	95.3	Very high	95.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-146.3	-172.2	0	0	0	0	0	115.8	A511 D530 L609	A511-G528 CarbonylContact O-C 3.55Å; A511-G528 WeakPolarHBondContact O-CA 3.32Å; G528-D530 VanDerWaalsContact C-N 3.3Å; G528-D530 PolarHBondContact O-N 2.98Å; G528-L609 PolarHBondContact O-N 3.37Å
529	Q	94.8	Very high	95.3	Very high	80 Å²	80	23.1 Å²	23.1	37%	0.374	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.7	-174	-172.1	177.3	-3.6	0	0	114.5	A511 N531	A511-Q529 HydrophobicContact CB-CB 4.44Å; A511-Q529 VanDerWaalsContact N-OE1 3.15Å; A511-Q529 PolarHBondContact O-N 3.13Å; Q529-N531 VanDerWaalsContact C-N 3.31Å; Q529-N531 PolarHBondContact O-N 3.13Å; Q529-N531 PolarHBondContact O-OD1 3.14Å
530	D	93.6	Very high	95.3	Very high	27 Å²	27	23.8 Å²	23.8	14%	0.144	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.8	-178.4	72.3	5.1	0	0	0	114.9	H508 T509 G528 I532 R534	H508-D530 WeakPolarHBondContact CA-OD2 3.48Å; H508-D530 IonicContact ND1-OD1 3.63Å; H508-D530 IonicContact ND1-OD2 2.65Å; T509-D530 PolarHBondContact N-OD2 3.15Å; G528-D530 VanDerWaalsContact C-N 3.3Å; G528-D530 PolarHBondContact O-N 2.98Å; D530-I532 PolarHBondContact O-N 3.14Å; D530-I532 VanDerWaalsContact O-N 3.16Å; D530-I532 PolarHBondContact OD1-N 3.48Å; D530-I532 VanDerWaalsContact OD1-N 3.15Å; D530-R534 VanDerWaalsContact CG-NH1 3.32Å; D530-R534 IonicContact OD1-NH1 2.62Å; D530-R534 PolarHBondContact OD1-NH1 3.21Å; D530-R534 VanDerWaalsContact OD1-NH1 3.13Å; D530-R534 IonicContact OD2-CZ 3.99Å; D530-R534 IonicContact OD2-NH1 2.72Å; D530-R534 PolarHBondContact OD2-NH1 2.82Å; D530-R534 IonicContact OD2-NH2 2.63Å; D530-R534 PolarHBondContact OD2-NH2 3.13Å
531	N	95	Very high	95.4	Very high	41 Å²	41	22.7 Å²	22.7	22%	0.219	11%	0.113	C	C	.	.	S	Bend	trans	64.3	13.1	175.6	-44.8	-30.2	0	0	0	115	Q529 H605 A607 D608	Q529-N531 VanDerWaalsContact C-N 3.31Å; Q529-N531 PolarHBondContact O-N 3.13Å; Q529-N531 PolarHBondContact O-OD1 3.14Å; N531-H605 HydrophobicContact CB-CB 4.43Å; N531-A607 WeakPolarHBondContact OD1-CA 3.41Å; N531-A607 PolarHBondContact OD1-O 3.35Å; N531-A607 VanDerWaalsContact OD1-O 3.13Å; N531-D608 PolarHBondContact OD1-N 3.4Å; N531-D608 VanDerWaalsContact OD1-N 3.11Å
532	I	96.3	Very high	95.3	Very high	33 Å²	33	25.4 Å²	25.4	17%	0.169	13%	0.125	C	C	.	.			trans	-112.4	133.9	179.4	-62.3	174.4	0	0	0	110.4	D530 R534 K601 K603	D530-I532 PolarHBondContact O-N 3.14Å; D530-I532 VanDerWaalsContact O-N 3.16Å; D530-I532 PolarHBondContact OD1-N 3.48Å; D530-I532 VanDerWaalsContact OD1-N 3.15Å; I532-R534 HydrophobicContact CG2-CG 4.09Å; I532-K601 HydrophobicContact CG2-CB 4.07Å; I532-K603 HydrophobicContact CD1-CG 4.33Å; I532-K603 HydrophobicContact CG1-CG 4.28Å
533	V	97.6	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.6	169.4	-174	0	0	0	0	108.7	A527 I535 Y602 L609 L612 L620	A527-V533 HydrophobicContact CB-CG2 4.19Å; V533-I535 HydrophobicContact CG1-CD1 4.1Å; V533-Y602 HydrophobicContact CB-CD2 4.45Å; V533-Y602 PolarHBondContact N-O 2.91Å; V533-Y602 VanDerWaalsContact N-O 3.14Å; V533-Y602 PolarHBondContact O-N 2.62Å; V533-L609 HydrophobicContact CG2-CD1 3.81Å; V533-L609 HydrophobicContact CG2-CD2 3.74Å; V533-L609 HydrophobicContact CG2-CG 4.44Å; V533-L612 HydrophobicContact CG1-CD2 3.83Å; V533-L612 HydrophobicContact CG2-CD2 4.19Å; V533-L620 HydrophobicContact CG1-CD2 3.74Å
534	R	96.8	Very high	94.9	Very high	10 Å²	10	30 Å²	30	4%	0.038	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.9	177.3	-69.1	177.4	-172.2	68	0.3	110.9	E507 H508 T526 D530 I532 P598 C600 K601	E507-R534 PolarHBondContact O-NE 2.97Å; E507-R534 PolarHBondContact O-NH2 3.35Å; E507-R534 IonicContact OE2-NE 2.7Å; E507-R534 PolarHBondContact OE2-NE 2.58Å; H508-R534 PolarHBondContact CE1-NH1 3.3Å; H508-R534 PolarHBondContact ND1-NH1 3.23Å; T526-R534 PolarHBondContact N-O 3.03Å; T526-R534 PolarHBondContact O-N 2.95Å; T526-R534 PolarHBondContact OG1-O 3.28Å; D530-R534 VanDerWaalsContact CG-NH1 3.32Å; D530-R534 IonicContact OD1-NH1 2.62Å; D530-R534 PolarHBondContact OD1-NH1 3.21Å; D530-R534 VanDerWaalsContact OD1-NH1 3.13Å; D530-R534 IonicContact OD2-CZ 3.99Å; D530-R534 IonicContact OD2-NH1 2.72Å; D530-R534 PolarHBondContact OD2-NH1 2.82Å; D530-R534 IonicContact OD2-NH2 2.63Å; D530-R534 PolarHBondContact OD2-NH2 3.13Å; I532-R534 HydrophobicContact CG2-CG 4.09Å; R534-P598 HydrophobicContact CB-CB 4.15Å; R534-P598 HydrophobicContact CB-CG 4.45Å; R534-P598 HydrophobicContact CG-CG 4.33Å; R534-C600 WeakPolarHBondContact CA-O 3.05Å; R534-K601 HydrophobicContact CG-CG 4.4Å
535	I	97.2	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.9	174.4	-45.2	-57	0	0	0	108.8	L523 L524 A525 V533 P598 F599 C600 Y602 W614 L620	L523-I535 HydrophobicContact CB-CG2 4.21Å; L523-I535 HydrophobicContact CD2-CG2 4.05Å; L524-I535 CarbonylContact O-C 3.48Å; L524-I535 WeakPolarHBondContact O-CA 3.46Å; A525-I535 HydrophobicContact CB-CD1 3.67Å; V533-I535 HydrophobicContact CG1-CD1 4.1Å; I535-P598 CarbonylContact O-C 3.53Å; I535-P598 WeakPolarHBondContact O-CA 3.38Å; I535-P598 WeakPolarHBondContact O-CB 3.44Å; I535-F599 PolarHBondContact O-N 2.81Å; I535-C600 HydrophobicContact CB-CB 3.97Å; I535-C600 HydrophobicContact CG1-CB 3.72Å; I535-C600 PolarHBondContact N-O 2.92Å; I535-C600 PolarHBondContact O-N 3.39Å; I535-Y602 HydrophobicContact CD1-CD2 4.48Å; I535-Y602 HydrophobicContact CD1-CE2 4.24Å; I535-Y602 HydrophobicContact CG1-CD2 4.2Å; I535-Y602 HydrophobicContact CG1-CE2 3.76Å; I535-W614 HydrophobicContact CD1-CH2 4.14Å; I535-W614 HydrophobicContact CD1-CZ2 4.09Å; I535-W614 HydrophobicContact CG2-CH2 4.09Å; I535-W614 HydrophobicContact CG2-CZ2 4.21Å; I535-L620 HydrophobicContact CD1-CD2 3.38Å
536	W	96.5	Very high	94.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.7	172.4	-47.1	85.3	0	0	0	109.7	L504 E507 L523 L524 T526 F594 P598 I901	L504-W536 HydrophobicContact CB-CH2 3.89Å; L504-W536 HydrophobicContact CB-CZ2 4.31Å; L504-W536 HydrophobicContact CB-CZ3 4.02Å; L504-W536 HydrophobicContact CD1-CD2 4.11Å; L504-W536 HydrophobicContact CD1-CE3 4.04Å; L504-W536 HydrophobicContact CD1-CG 4.5Å; L504-W536 HydrophobicContact CD1-CZ3 4.38Å; L504-W536 HydrophobicContact CD2-CE3 3.96Å; L504-W536 HydrophobicContact CD2-CZ3 3.79Å; L504-W536 HydrophobicContact CG-CE3 4.4Å; L504-W536 HydrophobicContact CG-CZ3 4.28Å; L504-W536 WeakPolarHBondContact O-CH2 3.37Å; E507-W536 HydrophobicContact CB-CH2 3.63Å; E507-W536 HydrophobicContact CB-CZ2 4.09Å; E507-W536 HydrophobicContact CG-CH2 3.75Å; E507-W536 HydrophobicContact CG-CZ3 4.37Å; L523-W536 VanDerWaalsContact CA-O 3.31Å; L523-W536 WeakPolarHBondContact CA-O 3.49Å; L524-W536 HydrophobicContact CB-CB 4.28Å; L524-W536 HydrophobicContact CD2-CG 4.48Å; L524-W536 PolarHBondContact N-O 3.38Å; L524-W536 PolarHBondContact O-N 2.9Å; T526-W536 PolarHBondContact OG1-NE1 3.33Å; W536-F594 HydrophobicContact CB-CD1 3.89Å; W536-F594 HydrophobicContact CB-CE1 4.4Å; W536-P598 HydrophobicContact CD2-CB 4.07Å; W536-P598 HydrophobicContact CE3-CB 4Å; W536-P598 HydrophobicContact CZ3-CB 4.31Å; W536-P598 HydrophobicContact CZ3-CG 4.46Å; W536-I901 HydrophobicContact CZ2-CD1 3.94Å
537	V	95.2	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.3	-178.4	65.8	0	0	0	0	110.2	L523 A541 F542 F545 F594 R595 F599	L523-V537 HydrophobicContact CD2-CB 3.71Å; L523-V537 HydrophobicContact CD2-CG2 3.63Å; V537-A541 HydrophobicContact CG2-CB 4.13Å; V537-F542 HydrophobicContact CG1-CB 4.4Å; V537-F542 HydrophobicContact CG1-CD2 3.77Å; V537-F545 HydrophobicContact CG2-CD2 3.75Å; V537-F545 HydrophobicContact CG2-CE2 4.34Å; V537-F594 WeakPolarHBondContact O-CA 3.43Å; V537-R595 HydrophobicContact CG1-CB 4.49Å; V537-R595 HydrophobicContact CG1-CG 4.38Å; V537-R595 PolarHBondContact O-N 3.35Å; V537-F599 HydrophobicContact CB-CB 4.15Å; V537-F599 HydrophobicContact CG1-CB 3.81Å; V537-F599 HydrophobicContact CG1-CD2 4.33Å; V537-F599 HydrophobicContact CG1-CG 4.32Å
538	L	94.4	Very high	93.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-64.5	140.7	172.1	-60.1	178	0	0	0	110.1	R522 T540 A541 F542 P593 F594 L853 I854	R522-L538 HydrophobicContact CB-CD1 4.36Å; R522-L538 HydrophobicContact CG-CD1 4.29Å; R522-L538 PolarHBondContact O-N 3.08Å; L538-T540 PolarHBondContact O-N 3.47Å; L538-A541 HydrophobicContact CB-CB 4.31Å; L538-A541 PolarHBondContact O-N 3.42Å; L538-F542 PolarHBondContact O-N 3.37Å; L538-P593 CarbonylContact C-O 3.6Å; L538-P593 VanDerWaalsContact CA-O 3.29Å; L538-P593 WeakPolarHBondContact CA-O 3.24Å; L538-P593 HydrophobicContact CD2-CB 4.35Å; L538-F594 HydrophobicContact CD2-CD1 3.78Å; L538-F594 HydrophobicContact CD2-CD2 4.08Å; L538-F594 HydrophobicContact CD2-CE1 3.56Å; L538-F594 HydrophobicContact CD2-CE2 3.86Å; L538-F594 HydrophobicContact CD2-CG 4.03Å; L538-F594 HydrophobicContact CD2-CZ 3.6Å; L538-F594 HydrophobicContact CG-CE1 4.29Å; L538-L853 HydrophobicContact CD1-CB 4.07Å; L538-I854 HydrophobicContact CD1-CG1 3.83Å; L538-I854 HydrophobicContact CD2-CD1 4.23Å; L538-I854 HydrophobicContact CD2-CG1 3.84Å; L538-I854 HydrophobicContact CD2-CG2 4.42Å
539	K	91.5	Very high	92.6	Very high	52 Å²	52	38 Å²	38	23%	0.226	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54.6	-42.3	-179.4	-62.2	-169.1	-176.2	-172.7	0	111.2	A541 F542 E588 D589 A592 P593 F594 R595	K539-A541 PolarHBondContact O-N 2.89Å; K539-F542 PolarHBondContact O-N 2.94Å; K539-E588 WeakPolarHBondContact CE-OE2 3.49Å; K539-E588 IonicContact NZ-OE2 4Å; K539-E588 PolarHBondContact NZ-OE2 2.84Å; K539-D589 PolarHBondContact NZ-O 3.49Å; K539-A592 VanDerWaalsContact CD-O 3.29Å; K539-A592 WeakPolarHBondContact CD-O 3.37Å; K539-A592 WeakPolarHBondContact CE-O 3.21Å; K539-P593 PolarHBondContact N-O 2.64Å; K539-F594 WeakPolarHBondContact CE-O 3.43Å; K539-R595 HydrophobicContact CG-CG 4.15Å
540	T	90.9	Very high	92.1	Very high	125 Å²	125	38.4 Å²	38.4	77%	0.767	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-62.5	-16.1	175.8	53.8	0	0	0	0	115.4	L538	L538-T540 PolarHBondContact O-N 3.47Å
541	A	92.4	Very high	91.4	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.041	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-113.7	-4.5	-177.6	0	0	0	0	0	113.7	R522 V537 L538 K539 D543 Y544 F545	R522-A541 HydrophobicContact CB-CB 3.82Å; R522-A541 HydrophobicContact CG-CB 4.07Å; V537-A541 HydrophobicContact CG2-CB 4.13Å; L538-A541 HydrophobicContact CB-CB 4.31Å; L538-A541 PolarHBondContact O-N 3.42Å; K539-A541 PolarHBondContact O-N 2.89Å; A541-D543 PolarHBondContact O-N 3.43Å; A541-Y544 PolarHBondContact O-N 2.91Å; A541-F545 HydrophobicContact CB-CD2 4.17Å; A541-F545 HydrophobicContact CB-CE2 4Å; A541-F545 VanDerWaalsContact O-CD2 3.31Å; A541-F545 WeakPolarHBondContact O-CD2 3.33Å; A541-F545 PolarHBondContact O-N 2.73Å
542	F	92.4	Very high	90.2	Very high	58 Å²	58	41.6 Å²	41.6	25%	0.254	21%	0.206	S	C	.	.	H	α-helix	trans	-55.7	-52.5	-174.5	179.5	-92.1	0	0	0	111.9	V537 L538 K539 Y544 F545 N546 R595 F599	V537-F542 HydrophobicContact CG1-CB 4.4Å; V537-F542 HydrophobicContact CG1-CD2 3.77Å; L538-F542 PolarHBondContact O-N 3.37Å; K539-F542 PolarHBondContact O-N 2.94Å; F542-Y544 VanDerWaalsContact C-N 3.31Å; F542-Y544 PolarHBondContact O-N 3.45Å; F542-F545 PolarHBondContact O-N 2.7Å; F542-N546 HydrophobicContact CD1-CB 4.36Å; F542-N546 HydrophobicContact CE1-CB 4.11Å; F542-N546 HydrophobicContact CZ-CB 4.5Å; F542-N546 VanDerWaalsContact O-CB 3.25Å; F542-N546 WeakPolarHBondContact O-CB 3.49Å; F542-N546 PolarHBondContact O-N 3.3Å; F542-R595 HydrophobicContact CD2-CG 3.98Å; F542-R595 HydrophobicContact CG-CG 4.49Å; F542-F599 HydrophobicContact CD2-CD2 4.27Å; F542-F599 HydrophobicContact CE2-CD2 4.05Å
543	D	91.3	Very high	89	Confident	105 Å²	105	43.8 Å²	43.8	56%	0.561	22%	0.218	S	C	*	.	H	α-helix	trans	-64.9	-32.7	-175.7	-65	-45.8	0	0	0	113.3	A541 N547	A541-D543 PolarHBondContact O-N 3.43Å; D543-N547 VanDerWaalsContact O-CB 3.24Å; D543-N547 WeakPolarHBondContact O-CB 3.31Å; D543-N547 PolarHBondContact O-N 3.2Å; D543-N547 PolarHBondContact O-ND2 3.3Å
544	Y	91.1	Very high	87.4	Confident	93 Å²	93	49.5 Å²	49.5	37%	0.365	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-51.4	176.2	171.8	-98.4	0	0	0	111.2	A541 F542 M548	A541-Y544 PolarHBondContact O-N 2.91Å; F542-Y544 VanDerWaalsContact C-N 3.31Å; F542-Y544 PolarHBondContact O-N 3.45Å; Y544-M548 HydrophobicContact CE1-CE 3.67Å; Y544-M548 PolarHBondContact O-N 3.38Å; Y544-M548 WeakPolarHBondContact OH-CE 3.38Å
545	F	91.1	Very high	85.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-34.3	179.5	-67.2	-65.8	0	0	0	112.4	R522 L523 V537 A541 F542 M548 R549 F599 F618 I634	R522-F545 HydrophobicContact CB-CE2 3.83Å; R522-F545 HydrophobicContact CB-CZ 4.32Å; L523-F545 HydrophobicContact CD1-CD1 4.18Å; L523-F545 HydrophobicContact CD1-CD2 4.48Å; L523-F545 HydrophobicContact CD1-CE1 3.78Å; L523-F545 HydrophobicContact CD1-CE2 4.1Å; L523-F545 HydrophobicContact CD1-CZ 3.73Å; L523-F545 HydrophobicContact CD2-CD2 3.81Å; L523-F545 HydrophobicContact CD2-CE2 3.82Å; L523-F545 HydrophobicContact CD2-CG 4.28Å; L523-F545 HydrophobicContact CD2-CZ 4.32Å; L523-F545 HydrophobicContact CG-CD2 4.21Å; L523-F545 HydrophobicContact CG-CE1 4.33Å; L523-F545 HydrophobicContact CG-CE2 3.74Å; L523-F545 HydrophobicContact CG-CZ 3.81Å; V537-F545 HydrophobicContact CG2-CD2 3.75Å; V537-F545 HydrophobicContact CG2-CE2 4.34Å; A541-F545 HydrophobicContact CB-CD2 4.17Å; A541-F545 HydrophobicContact CB-CE2 4Å; A541-F545 VanDerWaalsContact O-CD2 3.31Å; A541-F545 WeakPolarHBondContact O-CD2 3.33Å; A541-F545 PolarHBondContact O-N 2.73Å; F542-F545 PolarHBondContact O-N 2.7Å; F545-M548 PolarHBondContact O-N 3.17Å; F545-R549 WeakPolarHBondContact O-CB 3.29Å; F545-R549 PolarHBondContact O-N 3.18Å; F545-F599 HydrophobicContact CB-CE1 4.05Å; F545-F599 HydrophobicContact CB-CE2 4.16Å; F545-F599 HydrophobicContact CB-CZ 3.73Å; F545-F599 WeakPolarHBondContact O-CZ 3.45Å; F545-F618 HydrophobicContact CE1-CD1 4.22Å; F545-F618 AromaticContact CE1-CE1 3.81Å; F545-F618 HydrophobicContact CE1-CE1 3.81Å; F545-F618 AromaticContact CE1-CZ 3.98Å; F545-F618 HydrophobicContact CE1-CZ 3.98Å; F545-F618 HydrophobicContact CZ-CE1 4.11Å; F545-F618 HydrophobicContact CZ-CZ 4.43Å; F545-I634 HydrophobicContact CD1-CD1 3.77Å; F545-I634 HydrophobicContact CD1-CG1 4.46Å; F545-I634 HydrophobicContact CE1-CD1 4.44Å
546	N	89.9	Confident	83.4	Confident	48 Å²	48	56.3 Å²	56.3	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-62.9	-48.1	174.2	-166.5	36.9	0	0	0	111	F542 M548 R549 L550 F599	F542-N546 HydrophobicContact CD1-CB 4.36Å; F542-N546 HydrophobicContact CE1-CB 4.11Å; F542-N546 HydrophobicContact CZ-CB 4.5Å; F542-N546 VanDerWaalsContact O-CB 3.25Å; F542-N546 WeakPolarHBondContact O-CB 3.49Å; F542-N546 PolarHBondContact O-N 3.3Å; N546-M548 PolarHBondContact O-N 3.32Å; N546-R549 CarbonylContact O-C 3.59Å; N546-R549 WeakPolarHBondContact O-CB 3.41Å; N546-R549 PolarHBondContact O-N 3.4Å; N546-R549 VanDerWaalsContact O-N 3.16Å; N546-L550 WeakPolarHBondContact O-CD1 3.45Å; N546-L550 PolarHBondContact O-N 2.97Å; N546-L550 WeakPolarHBondContact OD1-CD1 3.43Å; N546-F599 HydrophobicContact CB-CE2 4.17Å
547	N	87.6	Confident	81.2	Confident	87 Å²	87	61.5 Å²	61.5	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-62.6	-39.3	175.6	-79.6	-64.2	0	0	0	112.7	D543 R549 L550 K551	D543-N547 VanDerWaalsContact O-CB 3.24Å; D543-N547 WeakPolarHBondContact O-CB 3.31Å; D543-N547 PolarHBondContact O-N 3.2Å; D543-N547 PolarHBondContact O-ND2 3.3Å; N547-R549 VanDerWaalsContact C-N 3.32Å; N547-R549 PolarHBondContact O-N 3.17Å; N547-L550 PolarHBondContact O-N 3.43Å; N547-K551 WeakPolarHBondContact O-CG 3.45Å; N547-K551 PolarHBondContact O-N 2.84Å
548	M	85.6	Confident	79.1	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.059	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-43.7	173.4	-172	-170.9	-66.3	0	0	111.4	Y544 F545 N546 Y552 F618 I634	Y544-M548 HydrophobicContact CE1-CE 3.67Å; Y544-M548 PolarHBondContact O-N 3.38Å; Y544-M548 WeakPolarHBondContact OH-CE 3.38Å; F545-M548 PolarHBondContact O-N 3.17Å; N546-M548 PolarHBondContact O-N 3.32Å; M548-Y552 HydrophobicContact CG-CE2 4.39Å; M548-Y552 WeakPolarHBondContact O-CD2 3.34Å; M548-Y552 PolarHBondContact O-N 3.06Å; M548-F618 HydrophobicContact CE-CE2 4.2Å; M548-I634 HydrophobicContact SD-CD1 3.57Å; M548-I634 VanDerWaalsContact SD-CD1 3.57Å
549	R	84.1	Confident	76.7	Confident	22 Å²	22	66.3 Å²	66.3	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-66.6	-40.8	176.4	-176.8	175.8	175.7	97.9	-23.6	112	F545 N546 N547 N553 F599 C600 I634 R636	F545-R549 WeakPolarHBondContact O-CB 3.29Å; F545-R549 PolarHBondContact O-N 3.18Å; N546-R549 CarbonylContact O-C 3.59Å; N546-R549 WeakPolarHBondContact O-CB 3.41Å; N546-R549 PolarHBondContact O-N 3.4Å; N546-R549 VanDerWaalsContact O-N 3.16Å; N547-R549 VanDerWaalsContact C-N 3.32Å; N547-R549 PolarHBondContact O-N 3.17Å; R549-N553 PolarHBondContact O-N 3.36Å; R549-N553 PolarHBondContact O-ND2 3.33Å; R549-F599 HydrophobicContact CB-CZ 4.22Å; R549-F599 VanDerWaalsContact CD-CZ 3.5Å; R549-C600 VanDerWaalsContact CZ-SG 3.59Å; R549-C600 PolarHBondContact NH1-SG 3.41Å; R549-I634 PolarHBondContact NH1-O 3.47Å; R549-R636 PolarHBondContact NH1-O 2.99Å
550	L	83.1	Confident	74.3	Confident	87 Å²	87	69.4 Å²	69.4	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-51	175.6	-94.6	74.7	0	0	0	111.4	N546 N547 Y552 N553 T554	N546-L550 WeakPolarHBondContact O-CD1 3.45Å; N546-L550 PolarHBondContact O-N 2.97Å; N546-L550 WeakPolarHBondContact OD1-CD1 3.43Å; N547-L550 PolarHBondContact O-N 3.43Å; L550-Y552 PolarHBondContact O-N 2.87Å; L550-N553 PolarHBondContact O-N 2.73Å; L550-T554 PolarHBondContact O-N 2.87Å; L550-T554 PolarHBondContact O-OG1 3.42Å
551	K	80	Confident	72	Confident	127 Å²	127	66.2 Å²	66.2	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-49.7	-54.3	180	-74.8	-179.9	178.6	-172.6	0	112.5	N547 N553 T554 E555	N547-K551 WeakPolarHBondContact O-CG 3.45Å; N547-K551 PolarHBondContact O-N 2.84Å; K551-N553 PolarHBondContact O-N 3.15Å; K551-T554 PolarHBondContact O-N 3.39Å; K551-T554 VanDerWaalsContact O-N 3.15Å; K551-E555 WeakPolarHBondContact O-CB 3.14Å; K551-E555 VanDerWaalsContact O-CG 3.24Å; K551-E555 WeakPolarHBondContact O-CG 3.44Å; K551-E555 PolarHBondContact O-N 2.66Å
552	Y	70.4	Confident	69.8	Low	9 Å²	9	69.4 Å²	69.4	4%	0.035	38%	0.379	C	S	.	.	H	α-helix	trans	-56.3	-33.7	178.3	-92.1	-104.3	0	0	0	114.2	L61 I64 M548 L550 S635	L61-Y552 HydrophobicContact CD2-CD1 4.49Å; L61-Y552 HydrophobicContact CD2-CE1 3.6Å; L61-Y552 HydrophobicContact CD2-CE2 4.17Å; L61-Y552 VanDerWaalsContact CD2-CZ 3.42Å; L61-Y552 VanDerWaalsContact CD2-OH 3.3Å; L61-Y552 WeakPolarHBondContact CD2-OH 3.45Å; L61-Y552 WeakPolarHBondContact CG-OH 3.16Å; I64-Y552 HydrophobicContact CD1-CE1 3.81Å; M548-Y552 HydrophobicContact CG-CE2 4.39Å; M548-Y552 WeakPolarHBondContact O-CD2 3.34Å; M548-Y552 PolarHBondContact O-N 3.06Å; L550-Y552 PolarHBondContact O-N 2.87Å; Y552-S635 VanDerWaalsContact CD1-OG 3.23Å; Y552-S635 WeakPolarHBondContact CD1-OG 3.01Å; Y552-S635 VanDerWaalsContact CD2-CB 3.45Å; Y552-S635 VanDerWaalsContact CE1-OG 3.25Å; Y552-S635 WeakPolarHBondContact CE1-OG 3.42Å
553	N	70.6	Confident	68	Low	78 Å²	78	68.1 Å²	68.1	42%	0.417	38%	0.378	S	S	.	.	H	α-helix	trans	-83	-34.3	178.9	-72.6	-79.8	0	0	0	112	R549 L550 K551	R549-N553 PolarHBondContact O-N 3.36Å; R549-N553 PolarHBondContact O-ND2 3.33Å; L550-N553 PolarHBondContact O-N 2.73Å; K551-N553 PolarHBondContact O-N 3.15Å
554	T	64.6	Low	66.2	Low	120 Å²	120	71 Å²	71	74%	0.736	39%	0.388	S	S	*	.	H	α-helix	trans	-74.8	-31	178.2	-57.3	0	0	0	0	112.9	L550 K551 G556	L550-T554 PolarHBondContact O-N 2.87Å; L550-T554 PolarHBondContact O-OG1 3.42Å; K551-T554 PolarHBondContact O-N 3.39Å; K551-T554 VanDerWaalsContact O-N 3.15Å; T554-G556 PolarHBondContact O-N 2.88Å
555	E	57.2	Low	64.5	Low	94 Å²	94	69 Å²	69	44%	0.439	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	2.3	179.9	-75.8	168.5	-157.7	0	0	114.8	K551 R557	K551-E555 WeakPolarHBondContact O-CB 3.14Å; K551-E555 VanDerWaalsContact O-CG 3.24Å; K551-E555 WeakPolarHBondContact O-CG 3.44Å; K551-E555 PolarHBondContact O-N 2.66Å; E555-R557 HydrophobicContact CB-CG 4.42Å; E555-R557 PolarHBondContact O-N 3.18Å; E555-R557 VanDerWaalsContact O-N 3.09Å; E555-R557 IonicContact OE2-CZ 3.76Å; E555-R557 IonicContact OE2-NH1 3.69Å; E555-R557 PolarHBondContact OE2-NH1 3.47Å
556	G	50.8	Low	62.6	Low	59 Å²	59	69.4 Å²	69.4	61%	0.608	39%	0.385	S	S	*	.	S	Bend	trans	70.8	2.1	178.5	0	0	0	0	0	114.9	T554 V558	T554-G556 PolarHBondContact O-N 2.88Å; G556-V558 PolarHBondContact O-N 2.86Å
557	R	51.2	Low	60.7	Low	109 Å²	109	72 Å²	72	41%	0.411	40%	0.398	S	S	.	.			trans	-67.5	21.5	175.9	-73.4	179.8	155.5	111.7	-1.8	114.4	D65 E555 R636	D65-R557 IonicContact OD2-NE 3.2Å; E555-R557 HydrophobicContact CB-CG 4.42Å; E555-R557 PolarHBondContact O-N 3.18Å; E555-R557 VanDerWaalsContact O-N 3.09Å; E555-R557 IonicContact OE2-CZ 3.76Å; E555-R557 IonicContact OE2-NH1 3.69Å; E555-R557 PolarHBondContact OE2-NH1 3.47Å; R557-R636 PolarHBondContact O-NH1 3.01Å; R557-R636 PolarHBondContact O-NH2 3.29Å
558	V	50.8	Low	58.7	Low	84 Å²	84	71.9 Å²	71.9	51%	0.509	40%	0.403	S	S	.	.	S	Bend	trans	-70.1	131.9	170.5	-175	0	0	0	0	108.1	G556 P560	G556-V558 PolarHBondContact O-N 2.86Å; V558-P560 WeakPolarHBondContact O-CD 3.41Å; V558-P560 VanDerWaalsContact O-N 3.12Å
559	S	43.4	Very low	56.8	Low	18 Å²	18	71.4 Å²	71.4	13%	0.126	40%	0.401	C	S	.	.			trans	-55.6	110.9	-173.1	-51.7	0	0	0	0	111.4	S561 R636 E638	S559-S561 CarbonylContact O-C 3.58Å; S559-S561 PolarHBondContact O-N 2.83Å; S559-S561 VanDerWaalsContact O-N 3.15Å; S559-R636 PolarHBondContact OG-NH1 3.18Å; S559-E638 PolarHBondContact OG-OE1 2.79Å
560	P	42.7	Very low	54.9	Low	118 Å²	118	74 Å²	74	77%	0.766	42%	0.422	S	S	*	.	S	Bend	trans	-62.5	-26	-172.4	-26.6	36.3	0	0	0	114	V558	V558-P560 WeakPolarHBondContact O-CD 3.41Å; V558-P560 VanDerWaalsContact O-N 3.12Å
561	S	42.8	Very low	53.1	Low	58 Å²	58	77.5 Å²	77.5	41%	0.406	43%	0.434	S	S	.	.	S	Bend	trans	-108.8	117.2	157.8	46.9	0	0	0	0	109	S559 S563	S559-S561 CarbonylContact O-C 3.58Å; S559-S561 PolarHBondContact O-N 2.83Å; S559-S561 VanDerWaalsContact O-N 3.15Å; S561-S563 PolarHBondContact O-N 3.4Å
562	P	46.3	Very low	51.3	Low	71 Å²	71	72.7 Å²	72.7	46%	0.461	42%	0.416	S	S	.	.			trans	-61	121.9	162.6	-21.3	33.5	0	0	0	108.4	L567	P562-L567 HydrophobicContact CB-CD2 3.71Å; P562-L567 HydrophobicContact CB-CG 3.91Å; P562-L567 HydrophobicContact CG-CD2 4.33Å
563	S	53.7	Low	49.9	Very low	31 Å²	31	78 Å²	78	22%	0.217	45%	0.445	C	S	.	.			trans	-60.2	155.2	170.2	66	0	0	0	0	109.8	S561 E565 S566 L567	S561-S563 PolarHBondContact O-N 3.4Å; S563-E565 PolarHBondContact O-N 2.75Å; S563-E565 VanDerWaalsContact O-N 3.12Å; S563-S566 WeakPolarHBondContact O-CA 3.27Å; S563-S566 WeakPolarHBondContact O-CB 3.2Å; S563-S566 PolarHBondContact O-N 2.96Å; S563-S566 WeakPolarHBondContact OG-CB 3.19Å; S563-S566 PolarHBondContact OG-N 3.04Å; S563-L567 PolarHBondContact O-N 3.02Å
564	Q	53.5	Low	48.7	Very low	166 Å²	166	76.6 Å²	76.6	78%	0.776	44%	0.44	S	S	*	.	H	α-helix	trans	-56.5	-31.2	174.6	-168.1	177.1	9.5	0	0	111.5	L567 C568	Q564-L567 PolarHBondContact O-N 3.29Å; Q564-C568 PolarHBondContact O-N 2.99Å; Q564-C568 PolarHBondContact O-SG 3.27Å; Q564-C568 VanDerWaalsContact O-SG 3.39Å
565	E	55.2	Low	47.4	Very low	50 Å²	50	76.6 Å²	76.6	23%	0.234	44%	0.435	C	S	.	.	H	α-helix	trans	-65.6	-43.6	171.7	-53	177.8	-175.8	0	0	112.9	S563 C568 S569 C641 C642	S563-E565 PolarHBondContact O-N 2.75Å; S563-E565 VanDerWaalsContact O-N 3.12Å; E565-C568 PolarHBondContact O-N 2.91Å; E565-S569 PolarHBondContact O-N 3.1Å; E565-S569 VanDerWaalsContact O-N 3.13Å; E565-C641 WeakPolarHBondContact OE2-CA 3.47Å; E565-C642 HydrophobicContact CG-CB 3.96Å; E565-C642 VanDerWaalsContact OE1-CB 3.26Å; E565-C642 WeakPolarHBondContact OE1-CB 3.33Å; E565-C642 PolarHBondContact OE1-N 3.22Å; E565-C642 WeakPolarHBondContact OE2-CB 3.39Å; E565-C642 PolarHBondContact OE2-N 2.87Å
566	S	52.3	Low	46.6	Very low	9 Å²	9	77.8 Å²	77.8	6%	0.063	45%	0.451	C	S	.	.	H	α-helix	trans	-61.1	-44.3	174.9	-178.1	0	0	0	0	110.5	S563 C568 S569 S570 E638	S563-S566 WeakPolarHBondContact O-CA 3.27Å; S563-S566 WeakPolarHBondContact O-CB 3.2Å; S563-S566 PolarHBondContact O-N 2.96Å; S563-S566 WeakPolarHBondContact OG-CB 3.19Å; S563-S566 PolarHBondContact OG-N 3.04Å; S566-C568 VanDerWaalsContact C-N 3.26Å; S566-C568 PolarHBondContact O-N 2.84Å; S566-S569 WeakPolarHBondContact CA-OG 3.21Å; S566-S569 CarbonylContact O-C 3.57Å; S566-S569 WeakPolarHBondContact O-CA 3.06Å; S566-S569 PolarHBondContact O-N 2.92Å; S566-S569 PolarHBondContact O-OG 2.88Å; S566-S570 WeakPolarHBondContact O-CB 3.37Å; S566-S570 PolarHBondContact O-N 3.35Å; S566-E638 WeakPolarHBondContact CB-OE2 3.49Å; S566-E638 WeakPolarHBondContact OG-CB 3.22Å; S566-E638 PolarHBondContact OG-OE2 2.87Å
567	L	48.7	Very low	45.8	Very low	104 Å²	104	77.2 Å²	77.2	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-61.6	-26.9	175.1	-65.5	177.1	0	0	0	114.1	P562 S563 Q564 S570	P562-L567 HydrophobicContact CB-CD2 3.71Å; P562-L567 HydrophobicContact CB-CG 3.91Å; P562-L567 HydrophobicContact CG-CD2 4.33Å; S563-L567 PolarHBondContact O-N 3.02Å; Q564-L567 PolarHBondContact O-N 3.29Å; L567-S570 PolarHBondContact O-OG 2.97Å
568	C	45.8	Very low	45.1	Very low	84 Å²	84	76.2 Å²	76.2	57%	0.568	46%	0.46	S	S	*	.	H	α-helix	trans	-78	-27.9	170.1	-68.6	0	0	0	0	113	Q564 E565 S566	Q564-C568 PolarHBondContact O-N 2.99Å; Q564-C568 PolarHBondContact O-SG 3.27Å; Q564-C568 VanDerWaalsContact O-SG 3.39Å; E565-C568 PolarHBondContact O-N 2.91Å; S566-C568 VanDerWaalsContact C-N 3.26Å; S566-C568 PolarHBondContact O-N 2.84Å
569	S	46.3	Very low	44.8	Very low	2 Å²	2	77.2 Å²	77.2	1%	0.014	47%	0.471	C	S	.	.	H	α-helix	trans	-89.8	-19.7	179.1	70.3	0	0	0	0	114.7	E565 S566 K571 S572 K603 C639	E565-S569 PolarHBondContact O-N 3.1Å; E565-S569 VanDerWaalsContact O-N 3.13Å; S566-S569 WeakPolarHBondContact CA-OG 3.21Å; S566-S569 CarbonylContact O-C 3.57Å; S566-S569 WeakPolarHBondContact O-CA 3.06Å; S566-S569 PolarHBondContact O-N 2.92Å; S566-S569 PolarHBondContact O-OG 2.88Å; S569-K571 PolarHBondContact O-N 3.39Å; S569-S572 WeakPolarHBondContact O-CB 3.08Å; S569-S572 PolarHBondContact O-N 2.91Å; S569-S572 VanDerWaalsContact O-N 3.09Å; S569-K603 WeakPolarHBondContact CB-O 3.33Å; S569-C639 PolarHBondContact OG-N 3.17Å
570	S	43.6	Very low	44.4	Very low	75 Å²	75	81.5 Å²	81.5	52%	0.524	50%	0.501	S	S	.	.			trans	-66.6	-9	-171.3	62.6	0	0	0	0	115.1	S566 L567 S572	S566-S570 WeakPolarHBondContact O-CB 3.37Å; S566-S570 PolarHBondContact O-N 3.35Å; L567-S570 PolarHBondContact O-OG 2.97Å; S570-S572 PolarHBondContact O-N 2.82Å
571	K	45.3	Very low	43.9	Very low	162 Å²	162	79.9 Å²	79.9	70%	0.704	50%	0.497	S	S	*	.			trans	-76.1	33	162.2	-59.3	-174.2	-178.9	-178	0	112.3	S569 D573 K603	S569-K571 PolarHBondContact O-N 3.39Å; K571-D573 PolarHBondContact O-N 3.11Å; K571-K603 WeakPolarHBondContact O-CD 3.34Å; K571-K603 PolarHBondContact O-NZ 3.31Å
572	S	43.3	Very low	43.6	Very low	26 Å²	26	83 Å²	83	18%	0.182	52%	0.516	C	S	.	.			trans	-78.4	74.9	174.9	64.9	0	0	0	0	109.3	S569 S570 T574	S569-S572 WeakPolarHBondContact O-CB 3.08Å; S569-S572 PolarHBondContact O-N 2.91Å; S569-S572 VanDerWaalsContact O-N 3.09Å; S570-S572 PolarHBondContact O-N 2.82Å; S572-T574 PolarHBondContact O-N 2.87Å
573	D	40.3	Very low	43.4	Very low	119 Å²	119	86.7 Å²	86.7	64%	0.636	53%	0.527	S	S	*	.			trans	-59.5	100	174.5	-43.4	-68.5	0	0	0	109.1	K571 K603	K571-D573 PolarHBondContact O-N 3.11Å; D573-K603 IonicContact OD2-NZ 3.95Å; D573-K603 PolarHBondContact OD2-NZ 3.46Å
574	T	46.1	Very low	42.8	Very low	50 Å²	50	90.5 Å²	90.5	31%	0.307	55%	0.545	S	S	.	.			trans	-148.7	97.3	168.2	-57.5	0	0	0	0	103.8	S572 R637	S572-T574 PolarHBondContact O-N 2.87Å; T574-R637 PolarHBondContact O-NH1 3.31Å
575	D	37.2	Very low	42.5	Very low	120 Å²	120	87.6 Å²	87.6	64%	0.642	54%	0.54	S	S	*	.			trans	-46.1	134.7	-162.7	-141.6	-48.3	0	0	0	112.5	G577 A578	D575-G577 PolarHBondContact O-N 2.76Å; D575-G577 VanDerWaalsContact O-N 3.1Å; D575-G577 PolarHBondContact OD1-N 3.47Å; D575-A578 PolarHBondContact O-N 3.41Å
576	P	38.6	Very low	42	Very low	119 Å²	119	92.7 Å²	92.7	77%	0.773	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-21.2	167.1	-25.3	35.7	0	0	0	112.8	A578	P576-A578 PolarHBondContact O-N 3Å
577	G	34.8	Very low	42.1	Very low	46 Å²	46	97.7 Å²	97.7	47%	0.474	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.2	4.4	175.6	0	0	0	0	0	117	D575 S579	D575-G577 PolarHBondContact O-N 2.76Å; D575-G577 VanDerWaalsContact O-N 3.1Å; D575-G577 PolarHBondContact OD1-N 3.47Å; G577-S579 PolarHBondContact O-N 3.13Å
578	A	36.4	Very low	42.5	Very low	88 Å²	88	95.5 Å²	95.5	73%	0.727	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	27.4	177.4	0	0	0	0	0	115	D575 P576	D575-A578 PolarHBondContact O-N 3.41Å; P576-A578 PolarHBondContact O-N 3Å
579	S	43.9	Very low	43.4	Very low	106 Å²	106	94.8 Å²	94.8	74%	0.741	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.7	40.7	179.9	68.7	0	0	0	0	113.9	G577	G577-S579 PolarHBondContact O-N 3.13Å
580	S	34.8	Very low	44.3	Very low	108 Å²	108	103.4 Å²	103.4	76%	0.755	61%	0.609	S	S	*	*	S	Bend	trans	-162.7	66.3	165	63.2	0	0	0	0	116.2
581	A	32.2	Very low	45.8	Very low	84 Å²	84	104.7 Å²	104.7	69%	0.694	61%	0.61	S	S	*	*			trans	-163.4	144.6	149	0	0	0	0	0	110	E583	A581-E583 PolarHBondContact O-N 3.15Å
582	P	37.4	Very low	47.8	Very low	122 Å²	122	97.3 Å²	97.3	79%	0.792	58%	0.58	S	S	*	*			trans	-72.9	107.4	153.1	30.9	-27.8	0	0	0	107.7
583	E	42.7	Very low	50.1	Low	150 Å²	150	96.7 Å²	96.7	70%	0.701	58%	0.575	S	S	*	*			trans	-60.7	137.1	151.4	-67.1	-179.6	139.9	0	0	107	A581 P585	A581-E583 PolarHBondContact O-N 3.15Å; E583-P585 VanDerWaalsContact O-N 3.15Å
584	D	40.6	Very low	52.6	Low	111 Å²	111	91 Å²	91	59%	0.594	55%	0.545	S	S	*	.			trans	-57.5	118.6	-163.7	-152.7	-19	0	0	0	110.2	D586 T587	D584-D586 PolarHBondContact O-N 3.16Å; D584-T587 VanDerWaalsContact O-CB 3.28Å; D584-T587 WeakPolarHBondContact O-CB 3.38Å; D584-T587 PolarHBondContact O-N 2.79Å; D584-T587 PolarHBondContact O-OG1 3.1Å
585	P	47.8	Very low	54.8	Low	104 Å²	104	91.9 Å²	91.9	68%	0.675	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.9	-167.6	21.6	-34.4	0	0	0	114.6	E583 T587	E583-P585 VanDerWaalsContact O-N 3.15Å; P585-T587 PolarHBondContact O-N 2.85Å
586	D	44.1	Very low	57.2	Low	158 Å²	158	89.9 Å²	89.9	85%	0.845	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-2.8	170.9	-71.4	-17	0	0	0	113.5	D584	D584-D586 PolarHBondContact O-N 3.16Å
587	T	54.3	Low	59.7	Low	114 Å²	114	88 Å²	88	70%	0.699	52%	0.515	S	S	*	.	S	Bend	trans	-98.9	-28.6	-175.4	-35	0	0	0	0	114.7	D584 P585	D584-T587 VanDerWaalsContact O-CB 3.28Å; D584-T587 WeakPolarHBondContact O-CB 3.38Å; D584-T587 PolarHBondContact O-N 2.79Å; D584-T587 PolarHBondContact O-OG1 3.1Å; P585-T587 PolarHBondContact O-N 2.85Å
588	E	56.8	Low	62.4	Low	57 Å²	57	86.2 Å²	86.2	27%	0.266	50%	0.495	S	S	.	.	S	Bend	trans	-90.2	118.4	171.9	-99.6	-147	163.5	0	0	109.9	K539 R590 R595 Q596	K539-E588 WeakPolarHBondContact CE-OE2 3.49Å; K539-E588 IonicContact NZ-OE2 4Å; K539-E588 PolarHBondContact NZ-OE2 2.84Å; E588-R590 PolarHBondContact O-N 3.4Å; E588-R595 IonicContact OE1-CZ 2.78Å; E588-R595 IonicContact OE1-NH1 3.35Å; E588-R595 PolarHBondContact OE1-NH1 3.33Å; E588-R595 IonicContact OE2-NH1 2.79Å; E588-R595 PolarHBondContact OE2-NH1 2.85Å; E588-Q596 WeakPolarHBondContact OE1-CB 3.04Å; E588-Q596 PolarHBondContact OE1-N 2.97Å
589	D	65.8	Low	65.1	Low	70 Å²	70	83 Å²	83	37%	0.374	47%	0.465	S	S	.	.			trans	-47.2	113.1	170.9	-97.9	-59	0	0	0	110.7	Y477 K539 N591 A592	Y477-D589 WeakPolarHBondContact CE2-OD2 3.17Å; Y477-D589 PolarHBondContact OH-OD2 3.11Å; K539-D589 PolarHBondContact NZ-O 3.49Å; D589-N591 PolarHBondContact O-N 3.3Å; D589-A592 HydrophobicContact CB-CB 3.78Å; D589-A592 WeakPolarHBondContact O-CB 3.43Å; D589-A592 PolarHBondContact O-N 3.4Å
590	R	65.1	Low	67.4	Low	183 Å²	183	78 Å²	78	69%	0.691	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.3	178	170.1	178.9	160	172.9	-5.2	111.6	E588 E858	E588-R590 PolarHBondContact O-N 3.4Å; R590-E858 IonicContact CZ-OE1 3.43Å; R590-E858 IonicContact CZ-OE2 3.98Å; R590-E858 IonicContact NE-OE2 3.36Å; R590-E858 IonicContact NH2-OE1 3.17Å; R590-E858 PolarHBondContact NH2-OE1 2.65Å; R590-E858 IonicContact NH2-OE2 2.77Å; R590-E858 PolarHBondContact NH2-OE2 3.12Å
591	N	75.2	Confident	70.2	Confident	102 Å²	102	75.7 Å²	75.7	55%	0.545	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.4	-177.4	-62.6	78	0	0	0	113.7	D589	D589-N591 PolarHBondContact O-N 3.3Å
592	A	86.9	Confident	73.2	Confident	7 Å²	7	72 Å²	72	6%	0.058	38%	0.375	C	S	.	.			trans	-77.6	124.8	177.8	0	0	0	0	0	110.8	Q502 K539 D589	Q502-A592 HydrophobicContact CB-CB 4.21Å; Q502-A592 HydrophobicContact CG-CB 4.06Å; K539-A592 VanDerWaalsContact CD-O 3.29Å; K539-A592 WeakPolarHBondContact CD-O 3.37Å; K539-A592 WeakPolarHBondContact CE-O 3.21Å; D589-A592 HydrophobicContact CB-CB 3.78Å; D589-A592 WeakPolarHBondContact O-CB 3.43Å; D589-A592 PolarHBondContact O-N 3.4Å
593	P	90.8	Very high	75.8	Confident	13 Å²	13	69.2 Å²	69.2	8%	0.084	35%	0.35	C	S	.	.			trans	-81.6	-27.5	-167.9	28.6	-35	0	0	0	115.8	V501 L538 K539 I854 V903	V501-P593 HydrophobicContact CG2-CG 4.38Å; L538-P593 CarbonylContact C-O 3.6Å; L538-P593 VanDerWaalsContact CA-O 3.29Å; L538-P593 WeakPolarHBondContact CA-O 3.24Å; L538-P593 HydrophobicContact CD2-CB 4.35Å; K539-P593 PolarHBondContact N-O 2.64Å; P593-I854 HydrophobicContact CB-CB 4.49Å; P593-I854 HydrophobicContact CB-CG2 3.45Å; P593-I854 VanDerWaalsContact CB-CG2 3.45Å; P593-I854 WeakPolarHBondContact CB-O 3.08Å; P593-I854 HydrophobicContact CG-CG2 3.58Å; P593-V903 HydrophobicContact CG-CG1 4.19Å
594	F	93.1	Very high	78	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-95.5	154.3	174.6	-64.9	-94.9	0	0	0	110.8	Q502 L504 F517 L524 W536 V537 L538 K539 I854 L893 V903	Q502-F594 PolarHBondContact NE2-O 3.07Å; Q502-F594 PolarHBondContact OE1-O 3.01Å; L504-F594 HydrophobicContact CD1-CB 4.31Å; L504-F594 HydrophobicContact CD1-CD2 4.4Å; L504-F594 HydrophobicContact CD1-CG 4.34Å; L504-F594 HydrophobicContact CD2-CB 4.37Å; F517-F594 HydrophobicContact CE1-CE1 4.5Å; F517-F594 AromaticContact CE1-CZ 3.97Å; F517-F594 HydrophobicContact CE1-CZ 3.97Å; F517-F594 HydrophobicContact CZ-CZ 4.18Å; L524-F594 HydrophobicContact CB-CE1 4.1Å; W536-F594 HydrophobicContact CB-CD1 3.89Å; W536-F594 HydrophobicContact CB-CE1 4.4Å; V537-F594 WeakPolarHBondContact O-CA 3.43Å; L538-F594 HydrophobicContact CD2-CD1 3.78Å; L538-F594 HydrophobicContact CD2-CD2 4.08Å; L538-F594 HydrophobicContact CD2-CE1 3.56Å; L538-F594 HydrophobicContact CD2-CE2 3.86Å; L538-F594 HydrophobicContact CD2-CG 4.03Å; L538-F594 HydrophobicContact CD2-CZ 3.6Å; L538-F594 HydrophobicContact CG-CE1 4.29Å; K539-F594 WeakPolarHBondContact CE-O 3.43Å; F594-I854 HydrophobicContact CZ-CD1 4.45Å; F594-L893 HydrophobicContact CE2-CD2 4.02Å; F594-L893 HydrophobicContact CZ-CD2 4Å; F594-V903 HydrophobicContact CD2-CG2 3.91Å; F594-V903 HydrophobicContact CE2-CG1 4.3Å; F594-V903 HydrophobicContact CE2-CG2 4Å
595	R	91.8	Very high	80.6	Confident	67 Å²	67	58.2 Å²	58.2	25%	0.253	30%	0.3	S	S	.	.			trans	-63.4	138.4	162.5	-74.1	-73.2	-72.8	148.7	-1	109.4	V537 K539 F542 E588 V597	V537-R595 HydrophobicContact CG1-CB 4.49Å; V537-R595 HydrophobicContact CG1-CG 4.38Å; V537-R595 PolarHBondContact O-N 3.35Å; K539-R595 HydrophobicContact CG-CG 4.15Å; F542-R595 HydrophobicContact CD2-CG 3.98Å; F542-R595 HydrophobicContact CG-CG 4.49Å; E588-R595 IonicContact OE1-CZ 2.78Å; E588-R595 IonicContact OE1-NH1 3.35Å; E588-R595 PolarHBondContact OE1-NH1 3.33Å; E588-R595 IonicContact OE2-NH1 2.79Å; E588-R595 PolarHBondContact OE2-NH1 2.85Å; R595-V597 PolarHBondContact O-N 2.94Å
596	Q	88.8	Confident	82.9	Confident	78 Å²	78	58.5 Å²	58.5	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-68.8	-20.1	-177.7	-163.9	61.8	18.6	0	0	113	D503 E588	D503-Q596 PolarHBondContact O-NE2 3.34Å; E588-Q596 WeakPolarHBondContact OE1-CB 3.04Å; E588-Q596 PolarHBondContact OE1-N 2.97Å
597	V	89.8	Confident	85.3	Confident	79 Å²	79	52.2 Å²	52.2	48%	0.479	27%	0.27	S	S	.	.	S	Bend	trans	-104.9	133.4	173.4	-177.5	0	0	0	0	109.6	R595	R595-V597 PolarHBondContact O-N 2.94Å
598	P	93.3	Very high	87.3	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.065	24%	0.242	C	C	.	.			trans	-69.5	138.9	178.5	29.6	-36.8	0	0	0	112.2	E507 R534 I535 W536 C600 K601	E507-P598 HydrophobicContact CG-CG 4.38Å; R534-P598 HydrophobicContact CB-CB 4.15Å; R534-P598 HydrophobicContact CB-CG 4.45Å; R534-P598 HydrophobicContact CG-CG 4.33Å; I535-P598 CarbonylContact O-C 3.53Å; I535-P598 WeakPolarHBondContact O-CA 3.38Å; I535-P598 WeakPolarHBondContact O-CB 3.44Å; W536-P598 HydrophobicContact CD2-CB 4.07Å; W536-P598 HydrophobicContact CE3-CB 4Å; W536-P598 HydrophobicContact CZ3-CB 4.31Å; W536-P598 HydrophobicContact CZ3-CG 4.46Å; P598-C600 VanDerWaalsContact C-N 3.33Å; P598-C600 PolarHBondContact O-N 3.19Å; P598-K601 HydrophobicContact CG-CD 4.36Å; P598-K601 HydrophobicContact CG-CG 4.04Å
599	F	92.2	Very high	89.2	Confident	19 Å²	19	45.1 Å²	45.1	8%	0.083	23%	0.229	C	C	.	.	S	Bend	trans	-63.3	-32	-179.3	-179.5	-104.4	0	0	0	114	I535 V537 F542 F545 N546 R549	I535-F599 PolarHBondContact O-N 2.81Å; V537-F599 HydrophobicContact CB-CB 4.15Å; V537-F599 HydrophobicContact CG1-CB 3.81Å; V537-F599 HydrophobicContact CG1-CD2 4.33Å; V537-F599 HydrophobicContact CG1-CG 4.32Å; F542-F599 HydrophobicContact CD2-CD2 4.27Å; F542-F599 HydrophobicContact CE2-CD2 4.05Å; F545-F599 HydrophobicContact CB-CE1 4.05Å; F545-F599 HydrophobicContact CB-CE2 4.16Å; F545-F599 HydrophobicContact CB-CZ 3.73Å; F545-F599 WeakPolarHBondContact O-CZ 3.45Å; N546-F599 HydrophobicContact CB-CE2 4.17Å; R549-F599 HydrophobicContact CB-CZ 4.22Å; R549-F599 VanDerWaalsContact CD-CZ 3.5Å
600	C	91.2	Very high	90.7	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.9	173.6	-69.8	0	0	0	0	110.8	R534 I535 R549 P598 Y602	R534-C600 WeakPolarHBondContact CA-O 3.05Å; I535-C600 HydrophobicContact CB-CB 3.97Å; I535-C600 HydrophobicContact CG1-CB 3.72Å; I535-C600 PolarHBondContact N-O 2.92Å; I535-C600 PolarHBondContact O-N 3.39Å; R549-C600 VanDerWaalsContact CZ-SG 3.59Å; R549-C600 PolarHBondContact NH1-SG 3.41Å; P598-C600 VanDerWaalsContact C-N 3.33Å; P598-C600 PolarHBondContact O-N 3.19Å; C600-Y602 HydrophobicContact CB-CD2 4.27Å; C600-Y602 HydrophobicContact CB-CE2 3.77Å
601	K	94.1	Very high	92.2	Very high	59 Å²	59	33.8 Å²	33.8	26%	0.257	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	101.4	166.2	-53.6	-170	-171.7	-167.2	0	108.1	E507 I532 R534 P598	E507-K601 WeakPolarHBondContact OE1-CE 3.24Å; E507-K601 IonicContact OE1-NZ 3.8Å; E507-K601 PolarHBondContact OE1-NZ 2.79Å; E507-K601 WeakPolarHBondContact OE2-CE 3.12Å; E507-K601 IonicContact OE2-NZ 2.97Å; E507-K601 PolarHBondContact OE2-NZ 3.24Å; I532-K601 HydrophobicContact CG2-CB 4.07Å; R534-K601 HydrophobicContact CG-CG 4.4Å; P598-K601 HydrophobicContact CG-CD 4.36Å; P598-K601 HydrophobicContact CG-CG 4.04Å
602	Y	95	Very high	93.3	Very high	5 Å²	5	29 Å²	29	2%	0.02	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.8	178.8	-64.6	-67.7	0	0	0	110.3	V533 I535 C600 W632 H633 I634 R636	V533-Y602 HydrophobicContact CB-CD2 4.45Å; V533-Y602 PolarHBondContact N-O 2.91Å; V533-Y602 VanDerWaalsContact N-O 3.14Å; V533-Y602 PolarHBondContact O-N 2.62Å; I535-Y602 HydrophobicContact CD1-CD2 4.48Å; I535-Y602 HydrophobicContact CD1-CE2 4.24Å; I535-Y602 HydrophobicContact CG1-CD2 4.2Å; I535-Y602 HydrophobicContact CG1-CE2 3.76Å; C600-Y602 HydrophobicContact CB-CD2 4.27Å; C600-Y602 HydrophobicContact CB-CE2 3.77Å; Y602-W632 HydrophobicContact CD1-CB 4.33Å; Y602-W632 AromaticContact CD1-CD2 3.81Å; Y602-W632 HydrophobicContact CD1-CD2 3.81Å; Y602-W632 AromaticContact CD1-CE3 3.27Å; Y602-W632 HydrophobicContact CD1-CE3 3.27Å; Y602-W632 HydrophobicContact CD1-CG 4.27Å; Y602-W632 AromaticContact CD1-CZ3 3.82Å; Y602-W632 HydrophobicContact CD1-CZ3 3.82Å; Y602-W632 HydrophobicContact CD2-CB 4.18Å; Y602-W632 HydrophobicContact CD2-CD2 4.27Å; Y602-W632 HydrophobicContact CD2-CG 4.12Å; Y602-W632 HydrophobicContact CE1-CB 4.13Å; Y602-W632 HydrophobicContact CE1-CD2 4.44Å; Y602-W632 AromaticContact CE1-CE3 3.96Å; Y602-W632 HydrophobicContact CE1-CE3 3.96Å; Y602-W632 HydrophobicContact CE2-CB 3.97Å; Y602-W632 HydrophobicContact CE2-CG 4.41Å; Y602-W632 HydrophobicContact CG-CB 4.35Å; Y602-W632 AromaticContact CG-CD2 3.71Å; Y602-W632 HydrophobicContact CG-CD2 3.71Å; Y602-W632 AromaticContact CG-CE3 3.62Å; Y602-W632 HydrophobicContact CG-CE3 3.62Å; Y602-W632 HydrophobicContact CG-CG 4.04Å; Y602-W632 HydrophobicContact CG-CZ3 4.15Å; Y602-H633 PolarHBondContact OH-O 3.22Å; Y602-I634 WeakPolarHBondContact OH-CA 3.43Å; Y602-R636 WeakPolarHBondContact CE1-O 3.24Å; Y602-R636 PolarHBondContact OH-O 3.36Å
603	K	92.8	Very high	93.8	Very high	64 Å²	64	29.7 Å²	29.7	28%	0.278	16%	0.161	S	C	.	.			trans	-102.7	143.2	175.1	-54.7	-173.2	-169.1	179.8	0	109.7	I532 S569 K571 D573 W632	I532-K603 HydrophobicContact CD1-CG 4.33Å; I532-K603 HydrophobicContact CG1-CG 4.28Å; S569-K603 WeakPolarHBondContact CB-O 3.33Å; K571-K603 WeakPolarHBondContact O-CD 3.34Å; K571-K603 PolarHBondContact O-NZ 3.31Å; D573-K603 IonicContact OD2-NZ 3.95Å; D573-K603 PolarHBondContact OD2-NZ 3.46Å; K603-W632 WeakPolarHBondContact O-CH2 3.38Å
604	G	89.7	Confident	94.1	Very high	17 Å²	17	29.6 Å²	29.6	18%	0.175	16%	0.159	C	C	.	.			trans	153.5	-18.7	172.7	0	0	0	0	0	115.3	R630	G604-R630 VanDerWaalsContact O-CZ 3.23Å; G604-R630 PolarHBondContact O-NE 2.87Å; G604-R630 PolarHBondContact O-NH2 3.28Å
605	H	95.1	Very high	94.2	Very high	13 Å²	13	29.7 Å²	29.7	6%	0.06	16%	0.16	C	C	.	.			trans	-72.9	151.2	165.9	-77.3	-70.6	0	0	0	110.9	N531 L609 S622 S624 D626 T628	N531-H605 HydrophobicContact CB-CB 4.43Å; H605-L609 VanDerWaalsContact CD2-CD2 3.47Å; H605-L609 WeakPolarHBondContact CD2-CD2 3.43Å; H605-S622 PolarHBondContact NE2-O 3.21Å; H605-S622 PolarHBondContact NE2-OG 3.1Å; H605-S624 VanDerWaalsContact ND1-CB 3.26Å; H605-S624 WeakPolarHBondContact ND1-CB 3.49Å; H605-D626 WeakPolarHBondContact CA-OD2 3.39Å; H605-D626 WeakPolarHBondContact CB-OD2 3.41Å; H605-D626 IonicContact CE1-OD1 2.66Å; H605-D626 IonicContact CE1-OD2 2.55Å; H605-D626 IonicContact CG-OD2 3.42Å; H605-D626 IonicContact ND1-OD1 2.65Å; H605-D626 PolarHBondContact ND1-OD1 3.44Å; H605-D626 IonicContact ND1-OD2 3.72Å; H605-D626 PolarHBondContact ND1-OD2 2.63Å; H605-T628 PolarHBondContact CE1-OG1 3.08Å; H605-T628 PolarHBondContact ND1-OG1 3.3Å
606	T	95.4	Very high	94	Very high	111 Å²	111	31 Å²	31	68%	0.681	17%	0.167	S	C	*	.	S	Bend	trans	-113	-1.4	-177.8	59.8	0	0	0	0	114.5	D626	T606-D626 PolarHBondContact N-OD2 3.08Å; T606-D626 WeakPolarHBondContact OG1-CB 3.38Å
607	A	94.9	Very high	94	Very high	26 Å²	26	28 Å²	28	22%	0.215	15%	0.154	C	C	.	.	S	Bend	trans	-154.3	172.9	174	0	0	0	0	0	111.3	N531 S624 M625 D626	N531-A607 WeakPolarHBondContact OD1-CA 3.41Å; N531-A607 PolarHBondContact OD1-O 3.35Å; N531-A607 VanDerWaalsContact OD1-O 3.13Å; A607-S624 PolarHBondContact O-OG 2.88Å; A607-M625 HydrophobicContact CB-CB 3.78Å; A607-D626 HydrophobicContact CB-CB 4.41Å
608	D	94.9	Very high	94.2	Very high	21 Å²	21	26.1 Å²	26.1	11%	0.112	14%	0.139	C	C	.	.			trans	-42.2	133.5	-169.8	-69.1	65.2	0	0	0	114.8	P381 W513 N531 S624 M625	P381-D608 WeakPolarHBondContact CG-OD2 3.4Å; W513-D608 PolarHBondContact NE1-OD2 3.41Å; N531-D608 PolarHBondContact OD1-N 3.4Å; N531-D608 VanDerWaalsContact OD1-N 3.11Å; D608-S624 VanDerWaalsContact O-CA 3.25Å; D608-S624 WeakPolarHBondContact O-CA 3.3Å; D608-S624 WeakPolarHBondContact O-CB 3.33Å; D608-S624 PolarHBondContact O-OG 2.61Å; D608-M625 HydrophobicContact CB-CE 3.72Å; D608-M625 HydrophobicContact CB-CG 4.11Å; D608-M625 HydrophobicContact CB-SD 4.07Å; D608-M625 PolarHBondContact O-N 2.81Å
609	L	97.4	Very high	94.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.1	173.4	-78.2	146.6	0	0	0	111.2	W513 A527 G528 V533 H605 S623	W513-L609 WeakPolarHBondContact CB-O 3.47Å; W513-L609 VanDerWaalsContact CD1-O 3.24Å; A527-L609 HydrophobicContact CB-CB 3.68Å; A527-L609 HydrophobicContact CB-CD1 3.87Å; A527-L609 HydrophobicContact CB-CD2 4.32Å; A527-L609 HydrophobicContact CB-CG 4.17Å; G528-L609 PolarHBondContact O-N 3.37Å; V533-L609 HydrophobicContact CG2-CD1 3.81Å; V533-L609 HydrophobicContact CG2-CD2 3.74Å; V533-L609 HydrophobicContact CG2-CG 4.44Å; H605-L609 VanDerWaalsContact CD2-CD2 3.47Å; H605-L609 WeakPolarHBondContact CD2-CD2 3.43Å; L609-S623 CarbonylContact C-O 3.58Å
610	L	96.6	Very high	94.5	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-27.7	-169.7	-63.4	-179.5	0	0	0	114.4	L382 S623 M625 T650	L382-L610 HydrophobicContact CB-CD2 4.33Å; L382-L610 HydrophobicContact CD1-CD1 3.85Å; L382-L610 HydrophobicContact CD2-CD1 4.09Å; L382-L610 HydrophobicContact CD2-CD2 4.08Å; L382-L610 HydrophobicContact CG-CD1 4.48Å; L610-S623 PolarHBondContact N-O 2.88Å; L610-M625 HydrophobicContact CD1-CG 3.91Å; L610-M625 HydrophobicContact CD2-CE 3.79Å; L610-M625 HydrophobicContact CD2-CG 4.41Å; L610-M625 HydrophobicContact CG-CG 4.27Å; L610-T650 HydrophobicContact CD1-CG2 4.44Å
611	D	97.5	Very high	94.8	Very high	12 Å²	12	24.8 Å²	24.8	6%	0.064	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	161.5	176.3	-140.5	0.8	0	0	0	113.1	T514 S623 A651 I652 K790	T514-D611 PolarHBondContact OG1-OD1 2.75Å; D611-S623 WeakPolarHBondContact CB-OG 3.18Å; D611-S623 PolarHBondContact N-OG 3.19Å; D611-S623 PolarHBondContact O-N 3.36Å; D611-S623 VanDerWaalsContact O-N 3.09Å; D611-A651 WeakPolarHBondContact OD2-CA 3.37Å; D611-I652 HydrophobicContact CB-CG1 3.91Å; D611-K790 IonicContact OD1-NZ 3.95Å; D611-K790 PolarHBondContact OD1-NZ 3.14Å; D611-K790 IonicContact OD2-NZ 3.88Å; D611-K790 PolarHBondContact OD2-NZ 3.38Å
612	L	98.3	Very high	95	Very high	3 Å²	3	22 Å²	22	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.8	177.9	-72	172.8	0	0	0	109.6	T514 K516 A525 A527 V533 L620 L621	T514-L612 HydrophobicContact CG2-CB 4.28Å; T514-L612 HydrophobicContact CG2-CD1 3.87Å; T514-L612 HydrophobicContact CG2-CG 3.69Å; K516-L612 HydrophobicContact CB-CB 4.48Å; K516-L612 HydrophobicContact CG-CB 4.32Å; A525-L612 HydrophobicContact CB-CD1 3.79Å; A527-L612 HydrophobicContact CB-CD1 3.71Å; A527-L612 HydrophobicContact CB-CD2 4.08Å; A527-L612 HydrophobicContact CB-CG 3.97Å; V533-L612 HydrophobicContact CG1-CD2 3.83Å; V533-L612 HydrophobicContact CG2-CD2 4.19Å; L612-L620 HydrophobicContact CB-CD1 4.34Å; L612-L620 HydrophobicContact CD2-CD1 4.17Å; L612-L620 HydrophobicContact CD2-CD2 4.4Å; L612-L620 HydrophobicContact CD2-CG 4.37Å; L612-L621 WeakPolarHBondContact CA-O 3.48Å
613	S	97.8	Very high	95.2	Very high	20 Å²	20	21.7 Å²	21.7	14%	0.14	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	122.3	171.7	-169.7	0	0	0	0	110.8	L620 L621 A653 F654	S613-L620 WeakPolarHBondContact O-CD1 3.31Å; S613-L621 PolarHBondContact N-O 2.88Å; S613-L621 PolarHBondContact O-N 2.74Å; S613-A653 WeakPolarHBondContact OG-CA 3.34Å; S613-F654 WeakPolarHBondContact O-CD2 3.49Å; S613-F654 VanDerWaalsContact O-CE2 3.25Å; S613-F654 WeakPolarHBondContact O-CE2 3.43Å; S613-F654 PolarHBondContact OG-N 2.96Å
614	W	96.9	Very high	95.4	Very high	11 Å²	11	18.7 Å²	18.7	4%	0.042	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.7	170.4	-74.1	102.4	0	0	0	110.9	K516 F517 H519 L523 A525 I535 F618 L620 I634	K516-W614 PolarHBondContact O-NE1 2.95Å; F517-W614 VanDerWaalsContact C-CD1 3.4Å; H519-W614 PolarHBondContact CE1-O 3.47Å; L523-W614 HydrophobicContact CB-CH2 4.23Å; L523-W614 HydrophobicContact CB-CZ2 4.07Å; L523-W614 HydrophobicContact CD1-CH2 3.98Å; L523-W614 HydrophobicContact CD1-CZ3 4.49Å; A525-W614 HydrophobicContact CB-CZ2 3.68Å; I535-W614 HydrophobicContact CD1-CH2 4.14Å; I535-W614 HydrophobicContact CD1-CZ2 4.09Å; I535-W614 HydrophobicContact CG2-CH2 4.09Å; I535-W614 HydrophobicContact CG2-CZ2 4.21Å; W614-F618 WeakPolarHBondContact CZ3-O 3.25Å; W614-L620 HydrophobicContact CD2-CB 4.48Å; W614-L620 HydrophobicContact CD2-CD1 3.89Å; W614-L620 HydrophobicContact CE3-CB 4.06Å; W614-L620 HydrophobicContact CE3-CD1 4.33Å; W614-L620 HydrophobicContact CG-CD1 4.05Å; W614-L620 HydrophobicContact CH2-CD2 4.48Å; W614-L620 HydrophobicContact CZ2-CD2 4.43Å; W614-L620 HydrophobicContact CZ3-CB 4.14Å; W614-I634 HydrophobicContact CH2-CG2 3.77Å; W614-I634 HydrophobicContact CZ3-CG2 3.79Å
615	S	94.6	Very high	95.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.014	10%	0.101	C	C	.	.			trans	-85.8	178.4	160.8	80.9	0	0	0	0	110.1	H519 N617 F618 F619 F654 D659	H519-S615 PolarHBondContact CE1-O 3.09Å; H519-S615 VanDerWaalsContact ND1-C 3.28Å; H519-S615 PolarHBondContact ND1-O 3.45Å; S615-N617 PolarHBondContact OG-N 3.3Å; S615-F618 PolarHBondContact OG-N 3.38Å; S615-F619 PolarHBondContact N-O 3.38Å; S615-F619 WeakPolarHBondContact OG-CA 3.34Å; S615-F619 VanDerWaalsContact OG-CB 3.3Å; S615-F619 WeakPolarHBondContact OG-CB 3.44Å; S615-F619 PolarHBondContact OG-N 3.01Å; S615-F619 PolarHBondContact OG-O 2.95Å; S615-F654 VanDerWaalsContact N-CD2 3.29Å; S615-D659 WeakPolarHBondContact CB-OD2 3.22Å; S615-D659 PolarHBondContact OG-OD2 3.12Å
616	K	88.6	Confident	95.8	Very high	94 Å²	94	19.1 Å²	19.1	41%	0.409	10%	0.104	S	C	.	.	S	Bend	trans	-76.7	-39.5	170.8	-64.3	169.5	-166.8	162.3	0	110	F618 P656 D659	K616-F618 PolarHBondContact O-N 2.91Å; K616-P656 WeakPolarHBondContact CE-O 3.38Å; K616-P656 PolarHBondContact NZ-O 3.36Å; K616-D659 PolarHBondContact N-OD2 2.94Å
617	N	89	Confident	95.9	Very high	16 Å²	16	17.6 Å²	17.6	9%	0.086	9%	0.088	C	C	.	.	S	Bend	trans	-78.6	36.9	-178.2	-74.1	14	0	0	0	113.3	S60 S615 F619 H633 D659	S60-N617 WeakPolarHBondContact OG-CB 3.42Å; S60-N617 VanDerWaalsContact OG-CG 3.24Å; S60-N617 PolarHBondContact OG-ND2 3.4Å; S615-N617 PolarHBondContact OG-N 3.3Å; N617-F619 HydrophobicContact CB-CD2 3.9Å; N617-F619 HydrophobicContact CB-CE2 3.99Å; N617-F619 WeakPolarHBondContact O-CD2 3.31Å; N617-F619 PolarHBondContact O-N 2.85Å; N617-H633 PolarHBondContact O-CD2 2.67Å; N617-H633 PolarHBondContact O-NE2 3.4Å; N617-D659 PolarHBondContact N-OD2 3.11Å; N617-D659 VanDerWaalsContact N-OD2 3.08Å
618	F	92.6	Very high	96	Very high	39 Å²	39	16.7 Å²	16.7	17%	0.171	8%	0.08	C	C	.	.	S	Bend	trans	50	9.4	179.6	-52.1	-67.1	0	0	0	118.2	L523 F545 M548 W614 S615 K616 I634	L523-F618 HydrophobicContact CD1-CD1 4.37Å; F545-F618 HydrophobicContact CE1-CD1 4.22Å; F545-F618 AromaticContact CE1-CE1 3.81Å; F545-F618 HydrophobicContact CE1-CE1 3.81Å; F545-F618 AromaticContact CE1-CZ 3.98Å; F545-F618 HydrophobicContact CE1-CZ 3.98Å; F545-F618 HydrophobicContact CZ-CE1 4.11Å; F545-F618 HydrophobicContact CZ-CZ 4.43Å; M548-F618 HydrophobicContact CE-CE2 4.2Å; W614-F618 WeakPolarHBondContact CZ3-O 3.25Å; S615-F618 PolarHBondContact OG-N 3.38Å; K616-F618 PolarHBondContact O-N 2.91Å; F618-I634 HydrophobicContact CB-CG1 3.68Å; F618-I634 HydrophobicContact CG-CG1 4.19Å
619	F	94.9	Very high	96.1	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.009	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	147.5	164.6	-60.7	-90.6	0	0	0	110.6	I63 I64 I67 S615 N617 L631 W632 H633 L640 F654	I63-F619 HydrophobicContact CB-CE2 4.23Å; I63-F619 HydrophobicContact CB-CZ 3.87Å; I63-F619 HydrophobicContact CG2-CE1 4.2Å; I63-F619 HydrophobicContact CG2-CE2 3.97Å; I63-F619 HydrophobicContact CG2-CZ 3.48Å; I63-F619 VanDerWaalsContact CG2-CZ 3.48Å; I64-F619 HydrophobicContact CD1-CE1 4.43Å; I64-F619 HydrophobicContact CD1-CZ 4.35Å; I64-F619 HydrophobicContact CG1-CE1 3.7Å; I64-F619 HydrophobicContact CG1-CZ 3.67Å; I67-F619 HydrophobicContact CD1-CE1 4.42Å; S615-F619 PolarHBondContact N-O 3.38Å; S615-F619 WeakPolarHBondContact OG-CA 3.34Å; S615-F619 VanDerWaalsContact OG-CB 3.3Å; S615-F619 WeakPolarHBondContact OG-CB 3.44Å; S615-F619 PolarHBondContact OG-N 3.01Å; S615-F619 PolarHBondContact OG-O 2.95Å; N617-F619 HydrophobicContact CB-CD2 3.9Å; N617-F619 HydrophobicContact CB-CE2 3.99Å; N617-F619 WeakPolarHBondContact O-CD2 3.31Å; N617-F619 PolarHBondContact O-N 2.85Å; F619-L631 HydrophobicContact CB-CD1 3.9Å; F619-L631 HydrophobicContact CD1-CD1 3.95Å; F619-L631 HydrophobicContact CD1-CD2 4.34Å; F619-L631 HydrophobicContact CD1-CG 4.25Å; F619-L631 HydrophobicContact CG-CD1 4.32Å; F619-W632 CarbonylContact C-O 3.41Å; F619-W632 VanDerWaalsContact CA-O 3.29Å; F619-W632 WeakPolarHBondContact CA-O 3.13Å; F619-H633 HydrophobicContact CD1-CB 4.02Å; F619-H633 HydrophobicContact CE1-CB 4.31Å; F619-L640 HydrophobicContact CD1-CD1 4.13Å; F619-L640 HydrophobicContact CE1-CD1 3.97Å; F619-F654 HydrophobicContact CB-CE1 4.49Å; F619-F654 HydrophobicContact CB-CE2 4.32Å; F619-F654 HydrophobicContact CB-CZ 3.7Å
620	L	97.4	Very high	96.1	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.2	176.8	178.8	63.6	0	0	0	109.3	A525 V533 I535 L612 S613 W614 W632	A525-L620 HydrophobicContact CB-CD1 4.04Å; A525-L620 HydrophobicContact CB-CD2 3.7Å; V533-L620 HydrophobicContact CG1-CD2 3.74Å; I535-L620 HydrophobicContact CD1-CD2 3.38Å; L612-L620 HydrophobicContact CB-CD1 4.34Å; L612-L620 HydrophobicContact CD2-CD1 4.17Å; L612-L620 HydrophobicContact CD2-CD2 4.4Å; L612-L620 HydrophobicContact CD2-CG 4.37Å; S613-L620 WeakPolarHBondContact O-CD1 3.31Å; W614-L620 HydrophobicContact CD2-CB 4.48Å; W614-L620 HydrophobicContact CD2-CD1 3.89Å; W614-L620 HydrophobicContact CE3-CB 4.06Å; W614-L620 HydrophobicContact CE3-CD1 4.33Å; W614-L620 HydrophobicContact CG-CD1 4.05Å; W614-L620 HydrophobicContact CH2-CD2 4.48Å; W614-L620 HydrophobicContact CZ2-CD2 4.43Å; W614-L620 HydrophobicContact CZ3-CB 4.14Å; L620-W632 PolarHBondContact N-O 2.75Å; L620-W632 PolarHBondContact O-N 2.95Å
621	L	98.3	Very high	96.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.7	168.3	-71.4	162.6	0	0	0	109.6	L612 S613 V629 R630 L631 F643 I652 F654 F662	L612-L621 WeakPolarHBondContact CA-O 3.48Å; S613-L621 PolarHBondContact N-O 2.88Å; S613-L621 PolarHBondContact O-N 2.74Å; L621-V629 HydrophobicContact CB-CG1 4.16Å; L621-V629 HydrophobicContact CD2-CG1 3.74Å; L621-V629 HydrophobicContact CG-CG1 4.48Å; L621-R630 WeakPolarHBondContact CA-O 3.4Å; L621-L631 HydrophobicContact CD2-CB 4.14Å; L621-L631 HydrophobicContact CD2-CD1 3.84Å; L621-L631 HydrophobicContact CG-CD1 4.14Å; L621-F643 HydrophobicContact CD2-CE2 4.28Å; L621-I652 VanDerWaalsContact C-CD1 3.4Å; L621-I652 HydrophobicContact CB-CD1 3.56Å; L621-I652 VanDerWaalsContact O-CD1 3.25Å; L621-I652 WeakPolarHBondContact O-CD1 3.44Å; L621-F654 HydrophobicContact CB-CE2 4.06Å; L621-F654 HydrophobicContact CD1-CD1 4.07Å; L621-F654 HydrophobicContact CD1-CD2 3.69Å; L621-F654 HydrophobicContact CD1-CE1 3.85Å; L621-F654 HydrophobicContact CD1-CE2 3.47Å; L621-F654 VanDerWaalsContact CD1-CE2 3.47Å; L621-F654 HydrophobicContact CD1-CG 4Å; L621-F654 HydrophobicContact CD1-CZ 3.54Å; L621-F654 HydrophobicContact CG-CD2 4.18Å; L621-F654 HydrophobicContact CG-CE1 4.31Å; L621-F654 HydrophobicContact CG-CE2 3.49Å; L621-F654 VanDerWaalsContact CG-CE2 3.49Å; L621-F654 HydrophobicContact CG-CZ 3.55Å; L621-F662 HydrophobicContact CD1-CB 3.37Å; L621-F662 HydrophobicContact CD1-CD1 3.91Å; L621-F662 HydrophobicContact CD1-CD2 3.74Å; L621-F662 HydrophobicContact CD1-CE2 4.48Å; L621-F662 HydrophobicContact CD1-CG 3.41Å; L621-F662 VanDerWaalsContact CD1-CG 3.41Å; L621-F662 HydrophobicContact CD2-CD1 4.25Å; L621-F662 HydrophobicContact CD2-CE1 4.22Å; L621-F662 HydrophobicContact CD2-CG 4.41Å; L621-F662 HydrophobicContact CD2-CZ 4.37Å
622	S	98.4	Very high	96	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.6	173	60.8	0	0	0	0	111.3	H605 V629 R630 W632	H605-S622 PolarHBondContact NE2-O 3.21Å; H605-S622 PolarHBondContact NE2-OG 3.1Å; S622-V629 CarbonylContact O-C 3.57Å; S622-V629 VanDerWaalsContact O-CA 3.25Å; S622-V629 WeakPolarHBondContact O-CA 3.2Å; S622-V629 WeakPolarHBondContact O-CG1 3.37Å; S622-R630 PolarHBondContact N-O 2.95Å; S622-R630 PolarHBondContact O-N 3.49Å; S622-W632 PolarHBondContact OG-NE1 2.98Å
623	S	98.1	Very high	95.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141.5	-176.9	67.5	0	0	0	0	112.3	L609 L610 D611 V649	L609-S623 CarbonylContact C-O 3.58Å; L610-S623 PolarHBondContact N-O 2.88Å; D611-S623 WeakPolarHBondContact CB-OG 3.18Å; D611-S623 PolarHBondContact N-OG 3.19Å; D611-S623 PolarHBondContact O-N 3.36Å; D611-S623 VanDerWaalsContact O-N 3.09Å; S623-V649 PolarHBondContact OG-O 3Å
624	S	97.6	Very high	95.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.1	-169.5	166.8	0	0	0	0	115	H605 A607 D608 D626 K627 T628 V649	H605-S624 VanDerWaalsContact ND1-CB 3.26Å; H605-S624 WeakPolarHBondContact ND1-CB 3.49Å; A607-S624 PolarHBondContact O-OG 2.88Å; D608-S624 VanDerWaalsContact O-CA 3.25Å; D608-S624 WeakPolarHBondContact O-CA 3.3Å; D608-S624 WeakPolarHBondContact O-CB 3.33Å; D608-S624 PolarHBondContact O-OG 2.61Å; S624-D626 VanDerWaalsContact CB-OD1 3.29Å; S624-D626 WeakPolarHBondContact CB-OD1 3.34Å; S624-D626 PolarHBondContact O-N 3.14Å; S624-D626 PolarHBondContact OG-N 2.88Å; S624-D626 PolarHBondContact OG-OD1 2.84Å; S624-K627 PolarHBondContact O-N 2.89Å; S624-T628 PolarHBondContact N-O 2.89Å; S624-T628 VanDerWaalsContact N-O 3.16Å; S624-V649 PolarHBondContact O-N 3.36Å; S624-V649 VanDerWaalsContact O-N 3.16Å
625	M	96.9	Very high	95	Very high	15 Å²	15	14.7 Å²	14.7	7%	0.074	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16	163.6	-66.1	-166	-160.6	0	0	114.3	P381 L382 A607 D608 L610 K627 F648	P381-M625 HydrophobicContact CB-CE 4Å; P381-M625 HydrophobicContact CB-SD 4.43Å; P381-M625 HydrophobicContact CG-CE 3.85Å; L382-M625 HydrophobicContact CB-CE 3.67Å; L382-M625 HydrophobicContact CD1-CE 4.43Å; A607-M625 HydrophobicContact CB-CB 3.78Å; D608-M625 HydrophobicContact CB-CE 3.72Å; D608-M625 HydrophobicContact CB-CG 4.11Å; D608-M625 HydrophobicContact CB-SD 4.07Å; D608-M625 PolarHBondContact O-N 2.81Å; L610-M625 HydrophobicContact CD1-CG 3.91Å; L610-M625 HydrophobicContact CD2-CE 3.79Å; L610-M625 HydrophobicContact CD2-CG 4.41Å; L610-M625 HydrophobicContact CG-CG 4.27Å; M625-K627 PolarHBondContact O-N 3.41Å; M625-F648 HydrophobicContact CB-CD1 4.1Å; M625-F648 HydrophobicContact CB-CD2 4.05Å; M625-F648 HydrophobicContact CB-CE1 4.12Å; M625-F648 HydrophobicContact CB-CE2 4.06Å; M625-F648 HydrophobicContact CB-CG 4.07Å; M625-F648 HydrophobicContact CB-CZ 4.1Å; M625-F648 HydrophobicContact CG-CD2 3.69Å; M625-F648 HydrophobicContact CG-CE2 3.83Å; M625-F648 HydrophobicContact CG-CG 4.09Å; M625-F648 HydrophobicContact CG-CZ 4.37Å; M625-F648 WeakPolarHBondContact O-CD1 3.38Å; M625-F648 WeakPolarHBondContact O-CE1 3.39Å; M625-F648 HydrophobicContact SD-CD2 4.09Å; M625-F648 HydrophobicContact SD-CE2 3.7Å; M625-F648 HydrophobicContact SD-CZ 4.3Å
626	D	95.6	Very high	94.5	Very high	24 Å²	24	15.2 Å²	15.2	13%	0.128	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	0.2	170.3	70.9	12.8	0	0	0	113.3	H605 T606 A607 S624 T628	H605-D626 WeakPolarHBondContact CA-OD2 3.39Å; H605-D626 WeakPolarHBondContact CB-OD2 3.41Å; H605-D626 IonicContact CE1-OD1 2.66Å; H605-D626 IonicContact CE1-OD2 2.55Å; H605-D626 IonicContact CG-OD2 3.42Å; H605-D626 IonicContact ND1-OD1 2.65Å; H605-D626 PolarHBondContact ND1-OD1 3.44Å; H605-D626 IonicContact ND1-OD2 3.72Å; H605-D626 PolarHBondContact ND1-OD2 2.63Å; T606-D626 PolarHBondContact N-OD2 3.08Å; T606-D626 WeakPolarHBondContact OG1-CB 3.38Å; A607-D626 HydrophobicContact CB-CB 4.41Å; S624-D626 VanDerWaalsContact CB-OD1 3.29Å; S624-D626 WeakPolarHBondContact CB-OD1 3.34Å; S624-D626 PolarHBondContact O-N 3.14Å; S624-D626 PolarHBondContact OG-N 2.88Å; S624-D626 PolarHBondContact OG-OD1 2.84Å; D626-T628 VanDerWaalsContact C-N 3.29Å; D626-T628 VanDerWaalsContact CG-OG1 3.31Å; D626-T628 WeakPolarHBondContact OD1-CA 3.13Å; D626-T628 VanDerWaalsContact OD1-CB 3.32Å; D626-T628 WeakPolarHBondContact OD1-CB 3.37Å; D626-T628 PolarHBondContact OD1-N 3.45Å; D626-T628 PolarHBondContact OD1-OG1 3.45Å; D626-T628 PolarHBondContact OD2-OG1 2.96Å
627	K	97.1	Very high	94.1	Very high	80 Å²	80	15.2 Å²	15.2	35%	0.348	7%	0.066	S	C	.	.	S	Bend	trans	71.6	20.3	178.6	-41.9	166.5	167.8	-159.3	0	112.9	S624 M625 Q644 H645 I646 F648	S624-K627 PolarHBondContact O-N 2.89Å; M625-K627 PolarHBondContact O-N 3.41Å; K627-Q644 PolarHBondContact O-NE2 3.06Å; K627-Q644 VanDerWaalsContact O-NE2 3.16Å; K627-H645 WeakPolarHBondContact CB-O 3.19Å; K627-H645 WeakPolarHBondContact O-CA 3.31Å; K627-H645 VanDerWaalsContact O-CB 3.31Å; K627-H645 WeakPolarHBondContact O-CB 3.38Å; K627-H645 PolarHBondContact O-N 3.03Å; K627-I646 WeakPolarHBondContact CD-O 3.5Å; K627-I646 WeakPolarHBondContact CE-O 3.26Å; K627-I646 PolarHBondContact NZ-O 3.43Å; K627-F648 HydrophobicContact CG-CD1 4.09Å
628	T	97.3	Very high	93.9	Very high	7 Å²	7	16 Å²	16	4%	0.043	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.1	175.3	72.7	0	0	0	0	111.8	H605 S624 D626 F643	H605-T628 PolarHBondContact CE1-OG1 3.08Å; H605-T628 PolarHBondContact ND1-OG1 3.3Å; S624-T628 PolarHBondContact N-O 2.89Å; S624-T628 VanDerWaalsContact N-O 3.16Å; D626-T628 VanDerWaalsContact C-N 3.29Å; D626-T628 VanDerWaalsContact CG-OG1 3.31Å; D626-T628 WeakPolarHBondContact OD1-CA 3.13Å; D626-T628 VanDerWaalsContact OD1-CB 3.32Å; D626-T628 WeakPolarHBondContact OD1-CB 3.37Å; D626-T628 PolarHBondContact OD1-N 3.45Å; D626-T628 PolarHBondContact OD1-OG1 3.45Å; D626-T628 PolarHBondContact OD2-OG1 2.96Å; T628-F643 WeakPolarHBondContact CA-O 3.28Å
629	V	98.3	Very high	93.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.2	153.7	-173.9	0	0	0	0	107.4	L621 S622 F643 V649 I652 F662	L621-V629 HydrophobicContact CB-CG1 4.16Å; L621-V629 HydrophobicContact CD2-CG1 3.74Å; L621-V629 HydrophobicContact CG-CG1 4.48Å; S622-V629 CarbonylContact O-C 3.57Å; S622-V629 VanDerWaalsContact O-CA 3.25Å; S622-V629 WeakPolarHBondContact O-CA 3.2Å; S622-V629 WeakPolarHBondContact O-CG1 3.37Å; V629-F643 HydrophobicContact CB-CB 4.3Å; V629-F643 HydrophobicContact CB-CD2 4.36Å; V629-F643 PolarHBondContact N-O 3.41Å; V629-F643 WeakPolarHBondContact O-CD2 3.35Å; V629-F643 PolarHBondContact O-N 2.78Å; V629-V649 HydrophobicContact CG2-CB 4.19Å; V629-V649 HydrophobicContact CG2-CG1 3.69Å; V629-V649 HydrophobicContact CG2-CG2 4.16Å; V629-I652 HydrophobicContact CG1-CD1 4.4Å; V629-I652 HydrophobicContact CG1-CG2 4Å; V629-I652 HydrophobicContact CG2-CG2 3.77Å; V629-F662 HydrophobicContact CB-CE2 4.16Å; V629-F662 HydrophobicContact CB-CZ 4.25Å; V629-F662 HydrophobicContact CG1-CE2 3.88Å; V629-F662 HydrophobicContact CG1-CZ 4.15Å; V629-F662 HydrophobicContact CG2-CE2 4.16Å
630	R	97.2	Very high	93.6	Very high	23 Å²	23	14.7 Å²	14.7	9%	0.087	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.9	175.3	-68.9	-179.9	179.7	-88.3	2.3	111.3	G604 L621 S622 W632 C639 C641	G604-R630 VanDerWaalsContact O-CZ 3.23Å; G604-R630 PolarHBondContact O-NE 2.87Å; G604-R630 PolarHBondContact O-NH2 3.28Å; L621-R630 WeakPolarHBondContact CA-O 3.4Å; S622-R630 PolarHBondContact N-O 2.95Å; S622-R630 PolarHBondContact O-N 3.49Å; R630-W632 HydrophobicContact CB-CZ2 3.74Å; R630-W632 HydrophobicContact CG-CZ2 4.29Å; R630-C639 PolarHBondContact NH1-SG 3.32Å; R630-C639 VanDerWaalsContact NH1-SG 3.36Å; R630-C641 WeakPolarHBondContact CA-O 3.38Å
631	L	97.1	Very high	93.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.2	176.4	-178.8	65.5	0	0	0	110.7	I67 F619 L621 L640 C641 F643 F654 I676	I67-L631 HydrophobicContact CD1-CD2 3.94Å; F619-L631 HydrophobicContact CB-CD1 3.9Å; F619-L631 HydrophobicContact CD1-CD1 3.95Å; F619-L631 HydrophobicContact CD1-CD2 4.34Å; F619-L631 HydrophobicContact CD1-CG 4.25Å; F619-L631 HydrophobicContact CG-CD1 4.32Å; L621-L631 HydrophobicContact CD2-CB 4.14Å; L621-L631 HydrophobicContact CD2-CD1 3.84Å; L621-L631 HydrophobicContact CG-CD1 4.14Å; L631-L640 HydrophobicContact CB-CB 4.45Å; L631-L640 HydrophobicContact CD2-CB 4.3Å; L631-L640 HydrophobicContact CG-CB 4.27Å; L631-L640 HydrophobicContact CG-CD1 4.38Å; L631-L640 PolarHBondContact O-N 3.23Å; L631-C641 HydrophobicContact CB-CB 4.12Å; L631-C641 HydrophobicContact CD2-CB 4.38Å; L631-C641 PolarHBondContact N-O 3.14Å; L631-F643 HydrophobicContact CB-CE2 4.17Å; L631-F654 HydrophobicContact CD1-CZ 3.95Å; L631-I676 HydrophobicContact CD2-CG2 3.51Å
632	W	95.2	Very high	93.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	160	178.5	-42.5	93.7	0	0	0	110.1	Y602 K603 F619 L620 S622 R630 C639	Y602-W632 HydrophobicContact CD1-CB 4.33Å; Y602-W632 AromaticContact CD1-CD2 3.81Å; Y602-W632 HydrophobicContact CD1-CD2 3.81Å; Y602-W632 AromaticContact CD1-CE3 3.27Å; Y602-W632 HydrophobicContact CD1-CE3 3.27Å; Y602-W632 HydrophobicContact CD1-CG 4.27Å; Y602-W632 AromaticContact CD1-CZ3 3.82Å; Y602-W632 HydrophobicContact CD1-CZ3 3.82Å; Y602-W632 HydrophobicContact CD2-CB 4.18Å; Y602-W632 HydrophobicContact CD2-CD2 4.27Å; Y602-W632 HydrophobicContact CD2-CG 4.12Å; Y602-W632 HydrophobicContact CE1-CB 4.13Å; Y602-W632 HydrophobicContact CE1-CD2 4.44Å; Y602-W632 AromaticContact CE1-CE3 3.96Å; Y602-W632 HydrophobicContact CE1-CE3 3.96Å; Y602-W632 HydrophobicContact CE2-CB 3.97Å; Y602-W632 HydrophobicContact CE2-CG 4.41Å; Y602-W632 HydrophobicContact CG-CB 4.35Å; Y602-W632 AromaticContact CG-CD2 3.71Å; Y602-W632 HydrophobicContact CG-CD2 3.71Å; Y602-W632 AromaticContact CG-CE3 3.62Å; Y602-W632 HydrophobicContact CG-CE3 3.62Å; Y602-W632 HydrophobicContact CG-CG 4.04Å; Y602-W632 HydrophobicContact CG-CZ3 4.15Å; K603-W632 WeakPolarHBondContact O-CH2 3.38Å; F619-W632 CarbonylContact C-O 3.41Å; F619-W632 VanDerWaalsContact CA-O 3.29Å; F619-W632 WeakPolarHBondContact CA-O 3.13Å; L620-W632 PolarHBondContact N-O 2.75Å; L620-W632 PolarHBondContact O-N 2.95Å; S622-W632 PolarHBondContact OG-NE1 2.98Å; R630-W632 HydrophobicContact CB-CZ2 3.74Å; R630-W632 HydrophobicContact CG-CZ2 4.29Å; W632-C639 HydrophobicContact CE3-CB 4.12Å; W632-C639 HydrophobicContact CH2-CB 3.91Å; W632-C639 HydrophobicContact CZ3-CB 3.56Å
633	H	93.1	Very high	93	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.014	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140	170.5	-179.2	-96.8	0	0	0	109.9	I64 Y602 N617 F619 S635 R636 L640	I64-H633 HydrophobicContact CD1-CB 4.36Å; Y602-H633 PolarHBondContact OH-O 3.22Å; N617-H633 PolarHBondContact O-CD2 2.67Å; N617-H633 PolarHBondContact O-NE2 3.4Å; F619-H633 HydrophobicContact CD1-CB 4.02Å; F619-H633 HydrophobicContact CE1-CB 4.31Å; H633-S635 VanDerWaalsContact C-N 3.25Å; H633-S635 PolarHBondContact CE1-OG 2.75Å; H633-S635 VanDerWaalsContact CE1-OG 3.28Å; H633-S635 PolarHBondContact ND1-N 3.16Å; H633-S635 PolarHBondContact ND1-OG 2.71Å; H633-S635 PolarHBondContact O-N 2.81Å; H633-S635 VanDerWaalsContact O-N 3.14Å; H633-R636 PolarHBondContact O-N 3.4Å; H633-R636 VanDerWaalsContact O-O 3.09Å; H633-L640 HydrophobicContact CB-CD1 3.79Å
634	I	90.6	Very high	92.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.9	-166.1	62.1	80.1	0	0	0	115	L523 F545 M548 R549 Y602 W614 F618 R636	L523-I634 HydrophobicContact CD1-CG2 4.18Å; F545-I634 HydrophobicContact CD1-CD1 3.77Å; F545-I634 HydrophobicContact CD1-CG1 4.46Å; F545-I634 HydrophobicContact CE1-CD1 4.44Å; M548-I634 HydrophobicContact SD-CD1 3.57Å; M548-I634 VanDerWaalsContact SD-CD1 3.57Å; R549-I634 PolarHBondContact NH1-O 3.47Å; Y602-I634 WeakPolarHBondContact OH-CA 3.43Å; W614-I634 HydrophobicContact CH2-CG2 3.77Å; W614-I634 HydrophobicContact CZ3-CG2 3.79Å; F618-I634 HydrophobicContact CB-CG1 3.68Å; F618-I634 HydrophobicContact CG-CG1 4.19Å; I634-R636 VanDerWaalsContact C-N 3.32Å
635	S	87.1	Confident	92.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19.4	174.9	70.4	0	0	0	0	113.6	Y552 H633	Y552-S635 VanDerWaalsContact CD1-OG 3.23Å; Y552-S635 WeakPolarHBondContact CD1-OG 3.01Å; Y552-S635 VanDerWaalsContact CD2-CB 3.45Å; Y552-S635 VanDerWaalsContact CE1-OG 3.25Å; Y552-S635 WeakPolarHBondContact CE1-OG 3.42Å; H633-S635 VanDerWaalsContact C-N 3.25Å; H633-S635 PolarHBondContact CE1-OG 2.75Å; H633-S635 VanDerWaalsContact CE1-OG 3.28Å; H633-S635 PolarHBondContact ND1-N 3.16Å; H633-S635 PolarHBondContact ND1-OG 2.71Å; H633-S635 PolarHBondContact O-N 2.81Å; H633-S635 VanDerWaalsContact O-N 3.14Å
636	R	84.1	Confident	92.9	Very high	13 Å²	13	26.5 Å²	26.5	5%	0.049	12%	0.124	C	C	.	.			trans	-110.9	158.9	-178.4	-70	-178.5	178.9	-104.8	-2.6	111.4	I68 R549 R557 S559 Y602 H633 I634 E638 L640	I68-R636 VanDerWaalsContact CD1-NH2 3.31Å; R549-R636 PolarHBondContact NH1-O 2.99Å; R557-R636 PolarHBondContact O-NH1 3.01Å; R557-R636 PolarHBondContact O-NH2 3.29Å; S559-R636 PolarHBondContact OG-NH1 3.18Å; Y602-R636 WeakPolarHBondContact CE1-O 3.24Å; Y602-R636 PolarHBondContact OH-O 3.36Å; H633-R636 PolarHBondContact O-N 3.4Å; H633-R636 VanDerWaalsContact O-O 3.09Å; I634-R636 VanDerWaalsContact C-N 3.32Å; R636-E638 HydrophobicContact CB-CG 4.39Å; R636-E638 IonicContact CZ-OE1 3.13Å; R636-E638 IonicContact NH1-OE1 2.64Å; R636-E638 PolarHBondContact NH1-OE1 2.92Å; R636-L640 HydrophobicContact CB-CD2 4.46Å
637	R	81.2	Confident	92.9	Very high	94 Å²	94	26.2 Å²	26.2	36%	0.355	12%	0.123	S	C	.	.	S	Bend	trans	-98.7	-29.8	174.2	-62.4	-171.9	-178.4	-147.3	3.5	112.8	T574	T574-R637 PolarHBondContact O-NH1 3.31Å
638	E	83.3	Confident	92.9	Very high	32 Å²	32	23.5 Å²	23.5	15%	0.15	11%	0.111	C	C	.	.	S	Bend	trans	-78.2	159.6	-176.4	59.5	-175.9	168.8	0	0	113.9	S559 S566 R636 L640	S559-E638 PolarHBondContact OG-OE1 2.79Å; S566-E638 WeakPolarHBondContact CB-OE2 3.49Å; S566-E638 WeakPolarHBondContact OG-CB 3.22Å; S566-E638 PolarHBondContact OG-OE2 2.87Å; R636-E638 HydrophobicContact CB-CG 4.39Å; R636-E638 IonicContact CZ-OE1 3.13Å; R636-E638 IonicContact NH1-OE1 2.64Å; R636-E638 PolarHBondContact NH1-OE1 2.92Å; E638-L640 HydrophobicContact CG-CD2 4.4Å
639	C	90.5	Very high	92.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.109	C	C	.	.			trans	-72.7	131.3	167.2	-175.5	0	0	0	0	110.2	S569 R630 W632 C641	S569-C639 PolarHBondContact OG-N 3.17Å; R630-C639 PolarHBondContact NH1-SG 3.32Å; R630-C639 VanDerWaalsContact NH1-SG 3.36Å; W632-C639 HydrophobicContact CE3-CB 4.12Å; W632-C639 HydrophobicContact CH2-CB 3.91Å; W632-C639 HydrophobicContact CZ3-CB 3.56Å; C639-C641 PolarHBondContact SG-O 3.45Å
640	L	90.6	Very high	92.9	Very high	14 Å²	14	23.2 Å²	23.2	7%	0.073	11%	0.109	C	C	.	.			trans	-88.9	-41.1	-177.6	-52.9	-174.7	0	0	0	113.1	F619 L631 H633 R636 E638 K679	F619-L640 HydrophobicContact CD1-CD1 4.13Å; F619-L640 HydrophobicContact CE1-CD1 3.97Å; L631-L640 HydrophobicContact CB-CB 4.45Å; L631-L640 HydrophobicContact CD2-CB 4.3Å; L631-L640 HydrophobicContact CG-CB 4.27Å; L631-L640 HydrophobicContact CG-CD1 4.38Å; L631-L640 PolarHBondContact O-N 3.23Å; H633-L640 HydrophobicContact CB-CD1 3.79Å; R636-L640 HydrophobicContact CB-CD2 4.46Å; E638-L640 HydrophobicContact CG-CD2 4.4Å; L640-K679 PolarHBondContact O-NZ 3.33Å
641	C	92.1	Very high	92.9	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	146.3	177.5	-68	0	0	0	0	110.8	I67 E565 R630 L631 C639 F643 K679	I67-C641 VanDerWaalsContact CG2-SG 3.52Å; E565-C641 WeakPolarHBondContact OE2-CA 3.47Å; R630-C641 WeakPolarHBondContact CA-O 3.38Å; L631-C641 HydrophobicContact CB-CB 4.12Å; L631-C641 HydrophobicContact CD2-CB 4.38Å; L631-C641 PolarHBondContact N-O 3.14Å; C639-C641 PolarHBondContact SG-O 3.45Å; C641-F643 HydrophobicContact CB-CD2 4.38Å; C641-F643 HydrophobicContact CB-CE1 4.36Å; C641-F643 HydrophobicContact CB-CE2 3.64Å; C641-F643 HydrophobicContact CB-CZ 3.63Å; C641-K679 WeakPolarHBondContact SG-CE 3.45Å; C641-K679 PolarHBondContact SG-NZ 3.43Å
642	C	94.1	Very high	92.9	Very high	31 Å²	31	22.4 Å²	22.4	21%	0.209	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.6	172.3	-168.6	0	0	0	0	110.2	E565	E565-C642 HydrophobicContact CG-CB 3.96Å; E565-C642 VanDerWaalsContact OE1-CB 3.26Å; E565-C642 WeakPolarHBondContact OE1-CB 3.33Å; E565-C642 PolarHBondContact OE1-N 3.22Å; E565-C642 WeakPolarHBondContact OE2-CB 3.39Å; E565-C642 PolarHBondContact OE2-N 2.87Å
643	F	96.4	Very high	93	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.018	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	109.4	-178.7	-53.4	-86.4	0	0	0	110	L621 T628 V629 L631 C641 F662 W674 I676	L621-F643 HydrophobicContact CD2-CE2 4.28Å; T628-F643 WeakPolarHBondContact CA-O 3.28Å; V629-F643 HydrophobicContact CB-CB 4.3Å; V629-F643 HydrophobicContact CB-CD2 4.36Å; V629-F643 PolarHBondContact N-O 3.41Å; V629-F643 WeakPolarHBondContact O-CD2 3.35Å; V629-F643 PolarHBondContact O-N 2.78Å; L631-F643 HydrophobicContact CB-CE2 4.17Å; C641-F643 HydrophobicContact CB-CD2 4.38Å; C641-F643 HydrophobicContact CB-CE1 4.36Å; C641-F643 HydrophobicContact CB-CE2 3.64Å; C641-F643 HydrophobicContact CB-CZ 3.63Å; F643-F662 HydrophobicContact CB-CZ 4.09Å; F643-F662 HydrophobicContact CD1-CE1 4.06Å; F643-F662 HydrophobicContact CD1-CZ 4.16Å; F643-F662 AromaticContact CD2-CE1 3.68Å; F643-F662 HydrophobicContact CD2-CE1 3.68Å; F643-F662 AromaticContact CD2-CZ 3.54Å; F643-F662 HydrophobicContact CD2-CZ 3.54Å; F643-F662 AromaticContact CE1-CE1 3.94Å; F643-F662 HydrophobicContact CE1-CE1 3.94Å; F643-F662 HydrophobicContact CE1-CZ 4.49Å; F643-F662 AromaticContact CE2-CE1 3.58Å; F643-F662 HydrophobicContact CE2-CE1 3.58Å; F643-F662 AromaticContact CE2-CZ 3.95Å; F643-F662 HydrophobicContact CE2-CZ 3.95Å; F643-F662 AromaticContact CG-CE1 3.93Å; F643-F662 HydrophobicContact CG-CE1 3.93Å; F643-F662 AromaticContact CG-CZ 3.67Å; F643-F662 HydrophobicContact CG-CZ 3.67Å; F643-F662 AromaticContact CZ-CE1 3.72Å; F643-F662 HydrophobicContact CZ-CE1 3.72Å; F643-F662 HydrophobicContact CZ-CZ 4.41Å; F643-W674 HydrophobicContact CB-CD2 4.25Å; F643-W674 HydrophobicContact CB-CE3 4.2Å; F643-W674 HydrophobicContact CB-CH2 3.97Å; F643-W674 HydrophobicContact CB-CZ2 4.01Å; F643-W674 HydrophobicContact CB-CZ3 4.06Å; F643-W674 HydrophobicContact CD1-CD2 4Å; F643-W674 AromaticContact CD1-CE3 3.52Å; F643-W674 HydrophobicContact CD1-CE3 3.52Å; F643-W674 AromaticContact CD1-CZ3 3.88Å; F643-W674 HydrophobicContact CD1-CZ3 3.88Å; F643-W674 HydrophobicContact CE1-CE3 4.34Å; F643-W674 HydrophobicContact CG-CD2 4.4Å; F643-W674 HydrophobicContact CG-CE3 4.25Å; F643-W674 HydrophobicContact CG-CZ3 4.46Å; F643-I676 HydrophobicContact CZ-CB 4.35Å; F643-I676 HydrophobicContact CZ-CG1 3.99Å; F643-I676 HydrophobicContact CZ-CG2 4.3Å
644	Q	96.5	Very high	93.2	Very high	113 Å²	113	23.1 Å²	23.1	53%	0.528	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.2	-175.5	-171.6	64	61.4	0	0	112.6	K627	K627-Q644 PolarHBondContact O-NE2 3.06Å; K627-Q644 VanDerWaalsContact O-NE2 3.16Å
645	H	97.2	Very high	93.4	Very high	6 Å²	6	24.4 Å²	24.4	3%	0.028	12%	0.117	C	C	.	.			trans	-110.1	164.1	167.8	-71.7	-121.2	0	0	0	111.6	K627 D647 V649 S664 R672 W674	K627-H645 WeakPolarHBondContact CB-O 3.19Å; K627-H645 WeakPolarHBondContact O-CA 3.31Å; K627-H645 VanDerWaalsContact O-CB 3.31Å; K627-H645 WeakPolarHBondContact O-CB 3.38Å; K627-H645 PolarHBondContact O-N 3.03Å; H645-D647 WeakPolarHBondContact CB-O 3.16Å; H645-D647 PolarHBondContact O-N 2.85Å; H645-V649 HydrophobicContact CB-CG2 3.74Å; H645-V649 VanDerWaalsContact CG-CG2 3.42Å; H645-S664 PolarHBondContact CE1-OG 3.38Å; H645-S664 PolarHBondContact NE2-OG 2.91Å; H645-R672 PolarHBondContact ND1-NH1 3.27Å; H645-W674 AromaticContact CD2-CZ2 3.78Å; H645-W674 AromaticContact CE1-NE1 3.86Å; H645-W674 AromaticContact NE2-CE2 3.73Å; H645-W674 AromaticContact NE2-CZ2 3.53Å; H645-W674 AromaticContact NE2-NE1 3.36Å; H645-W674 PolarHBondContact NE2-NE1 3.32Å
646	I	96.3	Very high	93.7	Very high	109 Å²	109	26.6 Å²	26.6	56%	0.559	13%	0.131	S	C	*	.	S	Bend	trans	-71.1	-26.1	175.2	-58.9	172.1	0	0	0	110.8	K627 D668	K627-I646 WeakPolarHBondContact CD-O 3.5Å; K627-I646 WeakPolarHBondContact CE-O 3.26Å; K627-I646 PolarHBondContact NZ-O 3.43Å; I646-D668 HydrophobicContact CB-CB 4.32Å
647	D	95.9	Very high	93.9	Very high	18 Å²	18	33.8 Å²	33.8	10%	0.096	16%	0.158	C	C	.	.	S	Bend	trans	-155.9	168.7	-165.4	-146.6	-25	0	0	0	112.1	R389 H645 V649 S666 D668	R389-D647 IonicContact CZ-OD1 2.73Å; R389-D647 IonicContact CZ-OD2 3.07Å; R389-D647 IonicContact NH1-OD1 2.61Å; R389-D647 IonicContact NH1-OD2 3.34Å; R389-D647 PolarHBondContact NH1-OD2 2.89Å; R389-D647 IonicContact NH2-OD1 3.12Å; R389-D647 PolarHBondContact NH2-OD1 3.04Å; R389-D647 IonicContact NH2-OD2 2.61Å; R389-D647 PolarHBondContact NH2-OD2 2.76Å; H645-D647 WeakPolarHBondContact CB-O 3.16Å; H645-D647 PolarHBondContact O-N 2.85Å; D647-V649 PolarHBondContact O-N 2.9Å; D647-S666 PolarHBondContact O-OG 3.46Å; D647-D668 HydrophobicContact CB-CB 3.8Å
648	F	96.7	Very high	94.3	Very high	24 Å²	24	31.2 Å²	31.2	11%	0.105	15%	0.151	C	C	.	.			trans	-52.2	134.1	-170.6	-60.3	-2.4	0	0	0	111.8	L382 H385 M625 K627 S666 L667	L382-F648 HydrophobicContact CD1-CD2 3.99Å; H385-F648 HydrophobicContact CB-CE2 4.07Å; H385-F648 AromaticContact CD2-CD2 3.61Å; H385-F648 AromaticContact CD2-CE2 3.26Å; H385-F648 WeakPolarHBondContact CD2-CE2 3.49Å; H385-F648 AromaticContact CD2-CZ 3.93Å; H385-F648 AromaticContact CG-CE2 3.5Å; H385-F648 AromaticContact ND1-CE2 3.84Å; H385-F648 AromaticContact ND1-CZ 3.94Å; H385-F648 AromaticContact NE2-CZ 3.89Å; M625-F648 HydrophobicContact CB-CD1 4.1Å; M625-F648 HydrophobicContact CB-CD2 4.05Å; M625-F648 HydrophobicContact CB-CE1 4.12Å; M625-F648 HydrophobicContact CB-CE2 4.06Å; M625-F648 HydrophobicContact CB-CG 4.07Å; M625-F648 HydrophobicContact CB-CZ 4.1Å; M625-F648 HydrophobicContact CG-CD2 3.69Å; M625-F648 HydrophobicContact CG-CE2 3.83Å; M625-F648 HydrophobicContact CG-CG 4.09Å; M625-F648 HydrophobicContact CG-CZ 4.37Å; M625-F648 WeakPolarHBondContact O-CD1 3.38Å; M625-F648 WeakPolarHBondContact O-CE1 3.39Å; M625-F648 HydrophobicContact SD-CD2 4.09Å; M625-F648 HydrophobicContact SD-CE2 3.7Å; M625-F648 HydrophobicContact SD-CZ 4.3Å; K627-F648 HydrophobicContact CG-CD1 4.09Å; F648-S666 CarbonylContact O-C 3.56Å; F648-S666 VanDerWaalsContact O-CA 3.24Å; F648-S666 WeakPolarHBondContact O-CA 3.24Å; F648-S666 WeakPolarHBondContact O-CB 3.44Å; F648-S666 PolarHBondContact O-OG 2.89Å; F648-L667 HydrophobicContact CB-CD1 4Å; F648-L667 HydrophobicContact CB-CG 4.18Å; F648-L667 HydrophobicContact CD2-CD1 3.93Å; F648-L667 HydrophobicContact CG-CD1 4.26Å; F648-L667 PolarHBondContact O-N 3.26Å
649	V	98	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	109.9	-178.3	-169.2	0	0	0	0	109.4	S623 S624 V629 H645 D647 I652 G665	S623-V649 PolarHBondContact OG-O 3Å; S624-V649 PolarHBondContact O-N 3.36Å; S624-V649 VanDerWaalsContact O-N 3.16Å; V629-V649 HydrophobicContact CG2-CB 4.19Å; V629-V649 HydrophobicContact CG2-CG1 3.69Å; V629-V649 HydrophobicContact CG2-CG2 4.16Å; H645-V649 HydrophobicContact CB-CG2 3.74Å; H645-V649 VanDerWaalsContact CG-CG2 3.42Å; D647-V649 PolarHBondContact O-N 2.9Å; V649-I652 HydrophobicContact CG1-CG2 4.13Å; V649-G665 CarbonylContact C-O 3.6Å; V649-G665 WeakPolarHBondContact CG1-O 3.33Å
650	T	97.2	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-18.6	-165.1	56.3	0	0	0	0	114.4	L382 L610 G665 L667 I694	L382-T650 HydrophobicContact CD1-CG2 4.13Å; L382-T650 HydrophobicContact CD2-CG2 4.28Å; L610-T650 HydrophobicContact CD1-CG2 4.44Å; T650-G665 PolarHBondContact N-O 3.47Å; T650-G665 PolarHBondContact OG1-O 3.21Å; T650-L667 HydrophobicContact CG2-CD2 3.68Å; T650-L667 HydrophobicContact CG2-CG 3.74Å; T650-I694 PolarHBondContact OG1-O 3.01Å
651	A	97.1	Very high	94.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	148	177	0	0	0	0	0	111.4	D611 S664 G665 A697	D611-A651 WeakPolarHBondContact OD2-CA 3.37Å; A651-S664 WeakPolarHBondContact O-CA 3.46Å; A651-G665 PolarHBondContact O-N 2.87Å; A651-A697 HydrophobicContact CB-CB 3.8Å
652	I	98.3	Very high	95.2	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149	178.3	42.6	160.6	0	0	0	110.8	D611 L621 V629 V649 F662 L663	D611-I652 HydrophobicContact CB-CG1 3.91Å; L621-I652 VanDerWaalsContact C-CD1 3.4Å; L621-I652 HydrophobicContact CB-CD1 3.56Å; L621-I652 VanDerWaalsContact O-CD1 3.25Å; L621-I652 WeakPolarHBondContact O-CD1 3.44Å; V629-I652 HydrophobicContact CG1-CD1 4.4Å; V629-I652 HydrophobicContact CG1-CG2 4Å; V629-I652 HydrophobicContact CG2-CG2 3.77Å; V649-I652 HydrophobicContact CG1-CG2 4.13Å; I652-F662 HydrophobicContact CG2-CD2 4.39Å; I652-F662 HydrophobicContact CG2-CE2 4.37Å; I652-L663 VanDerWaalsContact CA-O 3.29Å; I652-L663 WeakPolarHBondContact CA-O 3.41Å
653	A	97.7	Very high	95.3	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.033	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	128.1	172.6	0	0	0	0	0	111	S613 F662 L663 F699	S613-A653 WeakPolarHBondContact OG-CA 3.34Å; A653-F662 CarbonylContact O-C 3.55Å; A653-F662 WeakPolarHBondContact O-CA 3.45Å; A653-F662 WeakPolarHBondContact O-CB 3.47Å; A653-L663 PolarHBondContact N-O 2.61Å; A653-L663 PolarHBondContact O-N 3.14Å; A653-F699 HydrophobicContact CB-CD2 4.08Å; A653-F699 HydrophobicContact CB-CE2 4.38Å
654	F	97.1	Very high	95.4	Very high	14 Å²	14	36 Å²	36	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	146.9	162.2	-87.7	-76.9	0	0	0	110.8	S613 S615 F619 L621 L631 D659 I676 F699	S613-F654 WeakPolarHBondContact O-CD2 3.49Å; S613-F654 VanDerWaalsContact O-CE2 3.25Å; S613-F654 WeakPolarHBondContact O-CE2 3.43Å; S613-F654 PolarHBondContact OG-N 2.96Å; S615-F654 VanDerWaalsContact N-CD2 3.29Å; F619-F654 HydrophobicContact CB-CE1 4.49Å; F619-F654 HydrophobicContact CB-CE2 4.32Å; F619-F654 HydrophobicContact CB-CZ 3.7Å; L621-F654 HydrophobicContact CB-CE2 4.06Å; L621-F654 HydrophobicContact CD1-CD1 4.07Å; L621-F654 HydrophobicContact CD1-CD2 3.69Å; L621-F654 HydrophobicContact CD1-CE1 3.85Å; L621-F654 HydrophobicContact CD1-CE2 3.47Å; L621-F654 VanDerWaalsContact CD1-CE2 3.47Å; L621-F654 HydrophobicContact CD1-CG 4Å; L621-F654 HydrophobicContact CD1-CZ 3.54Å; L621-F654 HydrophobicContact CG-CD2 4.18Å; L621-F654 HydrophobicContact CG-CE1 4.31Å; L621-F654 HydrophobicContact CG-CE2 3.49Å; L621-F654 VanDerWaalsContact CG-CE2 3.49Å; L621-F654 HydrophobicContact CG-CZ 3.55Å; L631-F654 HydrophobicContact CD1-CZ 3.95Å; F654-D659 WeakPolarHBondContact CE1-O 3.18Å; F654-I676 HydrophobicContact CD1-CD1 4.39Å; F654-I676 HydrophobicContact CE1-CD1 3.61Å; F654-I676 HydrophobicContact CZ-CD1 4.35Å; F654-F699 WeakPolarHBondContact O-CD2 3.41Å
655	H	95	Very high	95.5	Very high	28 Å²	28	30.6 Å²	30.6	13%	0.13	14%	0.138	C	C	.	.			trans	-72.8	123.6	174.5	177.4	-105.6	0	0	0	110.3	R657 D658 Y661 F699	H655-R657 PolarHBondContact O-N 3.23Å; H655-D658 WeakPolarHBondContact ND1-CB 3.25Å; H655-D658 PolarHBondContact ND1-N 2.94Å; H655-D658 PolarHBondContact O-N 3.38Å; H655-D658 VanDerWaalsContact O-N 3.14Å; H655-Y661 WeakPolarHBondContact CB-O 3.08Å; H655-Y661 PolarHBondContact N-O 3.16Å; H655-F699 VanDerWaalsContact CA-CE2 3.45Å; H655-F699 HydrophobicContact CB-CE2 3.89Å; H655-F699 HydrophobicContact CB-CZ 3.96Å; H655-F699 AromaticContact CD2-CE1 3.79Å; H655-F699 AromaticContact CD2-CZ 3.82Å
656	P	91.9	Very high	95.5	Very high	46 Å²	46	30.3 Å²	30.3	30%	0.299	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	3.9	-163.8	27.1	-37.7	0	0	0	116	K616 F699	K616-P656 WeakPolarHBondContact CE-O 3.38Å; K616-P656 PolarHBondContact NZ-O 3.36Å; P656-F699 HydrophobicContact CG-CB 4.29Å
657	R	89.1	Confident	95.5	Very high	163 Å²	163	25.2 Å²	25.2	62%	0.615	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.2	-11.8	179	-62.9	-178.1	175.4	179.9	-3.1	114.5	H655 N702	H655-R657 PolarHBondContact O-N 3.23Å; R657-N702 WeakPolarHBondContact CG-OD1 2.97Å; R657-N702 VanDerWaalsContact CZ-O 3.29Å; R657-N702 VanDerWaalsContact NE-CG 3.26Å; R657-N702 PolarHBondContact NE-O 3.26Å; R657-N702 PolarHBondContact NE-OD1 3.29Å; R657-N702 VanDerWaalsContact NH2-CG 3.29Å; R657-N702 PolarHBondContact NH2-ND2 3.44Å; R657-N702 VanDerWaalsContact NH2-ND2 3.12Å
658	D	89.8	Confident	95.4	Very high	40 Å²	40	25.7 Å²	25.7	21%	0.214	11%	0.113	C	C	.	.			trans	-149.6	95.7	-171	-170.3	-17.8	0	0	0	108.7	H655 R660 Y661	H655-D658 WeakPolarHBondContact ND1-CB 3.25Å; H655-D658 PolarHBondContact ND1-N 2.94Å; H655-D658 PolarHBondContact O-N 3.38Å; H655-D658 VanDerWaalsContact O-N 3.14Å; D658-R660 PolarHBondContact O-N 3.13Å; D658-R660 VanDerWaalsContact OD1-CB 3.31Å; D658-R660 WeakPolarHBondContact OD1-CB 3.47Å; D658-R660 WeakPolarHBondContact OD1-CG 3.34Å; D658-R660 IonicContact OD1-CZ 2.65Å; D658-R660 PolarHBondContact OD1-N 3.05Å; D658-R660 IonicContact OD1-NE 2.63Å; D658-R660 PolarHBondContact OD1-NE 3.34Å; D658-R660 IonicContact OD1-NH2 3.68Å; D658-R660 IonicContact OD2-CZ 3.64Å; D658-R660 IonicContact OD2-NE 3.61Å; D658-R660 PolarHBondContact OD2-NE 2.85Å; D658-R660 IonicContact OD2-NH2 2.83Å; D658-R660 PolarHBondContact OD2-NH2 3.12Å; D658-Y661 HydrophobicContact CB-CD2 4.35Å; D658-Y661 PolarHBondContact O-N 3.13Å; D658-Y661 VanDerWaalsContact O-N 3.12Å
659	D	89.6	Confident	95.3	Very high	15 Å²	15	24.5 Å²	24.5	8%	0.08	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.3	-173.2	-70.1	12.5	0	0	0	112.5	S615 K616 N617 F654 Y661	S615-D659 WeakPolarHBondContact CB-OD2 3.22Å; S615-D659 PolarHBondContact OG-OD2 3.12Å; K616-D659 PolarHBondContact N-OD2 2.94Å; N617-D659 PolarHBondContact N-OD2 3.11Å; N617-D659 VanDerWaalsContact N-OD2 3.08Å; F654-D659 WeakPolarHBondContact CE1-O 3.18Å; D659-Y661 VanDerWaalsContact C-N 3.35Å
660	R	91.7	Very high	95.2	Very high	108 Å²	108	26.7 Å²	26.7	41%	0.408	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.4	171.9	-56.1	175.7	-63.2	166.6	4.7	113.8	I63 D658 N675 I676	I63-R660 HydrophobicContact CD1-CG 4.21Å; I63-R660 HydrophobicContact CG1-CG 4.49Å; D658-R660 PolarHBondContact O-N 3.13Å; D658-R660 VanDerWaalsContact OD1-CB 3.31Å; D658-R660 WeakPolarHBondContact OD1-CB 3.47Å; D658-R660 WeakPolarHBondContact OD1-CG 3.34Å; D658-R660 IonicContact OD1-CZ 2.65Å; D658-R660 PolarHBondContact OD1-N 3.05Å; D658-R660 IonicContact OD1-NE 2.63Å; D658-R660 PolarHBondContact OD1-NE 3.34Å; D658-R660 IonicContact OD1-NH2 3.68Å; D658-R660 IonicContact OD2-CZ 3.64Å; D658-R660 IonicContact OD2-NE 3.61Å; D658-R660 PolarHBondContact OD2-NE 2.85Å; D658-R660 IonicContact OD2-NH2 2.83Å; D658-R660 PolarHBondContact OD2-NH2 3.12Å; R660-N675 PolarHBondContact O-OD1 3.19Å; R660-I676 VanDerWaalsContact O-CB 3.29Å; R660-I676 WeakPolarHBondContact O-CB 3.32Å; R660-I676 WeakPolarHBondContact O-CG1 3.3Å; R660-I676 PolarHBondContact O-N 3.09Å
661	Y	94.9	Very high	95.3	Very high	60 Å²	60	26.7 Å²	26.7	24%	0.235	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.5	-177.1	-65.8	-82.9	0	0	0	112.5	H655 D658 D659 L673 W674 N675 A682	H655-Y661 WeakPolarHBondContact CB-O 3.08Å; H655-Y661 PolarHBondContact N-O 3.16Å; D658-Y661 HydrophobicContact CB-CD2 4.35Å; D658-Y661 PolarHBondContact O-N 3.13Å; D658-Y661 VanDerWaalsContact O-N 3.12Å; D659-Y661 VanDerWaalsContact C-N 3.35Å; Y661-L673 HydrophobicContact CD1-CG 4.43Å; Y661-W674 WeakPolarHBondContact CA-O 3.34Å; Y661-W674 WeakPolarHBondContact CD1-O 3.42Å; Y661-N675 HydrophobicContact CD1-CB 4.16Å; Y661-N675 HydrophobicContact CE1-CB 3.71Å; Y661-A682 HydrophobicContact CE1-CB 4.37Å
662	F	97.8	Very high	95.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.1	170.2	79.5	-85.9	0	0	0	113.4	L621 V629 F643 I652 A653 L673 W674 I676	L621-F662 HydrophobicContact CD1-CB 3.37Å; L621-F662 HydrophobicContact CD1-CD1 3.91Å; L621-F662 HydrophobicContact CD1-CD2 3.74Å; L621-F662 HydrophobicContact CD1-CE2 4.48Å; L621-F662 HydrophobicContact CD1-CG 3.41Å; L621-F662 VanDerWaalsContact CD1-CG 3.41Å; L621-F662 HydrophobicContact CD2-CD1 4.25Å; L621-F662 HydrophobicContact CD2-CE1 4.22Å; L621-F662 HydrophobicContact CD2-CG 4.41Å; L621-F662 HydrophobicContact CD2-CZ 4.37Å; V629-F662 HydrophobicContact CB-CE2 4.16Å; V629-F662 HydrophobicContact CB-CZ 4.25Å; V629-F662 HydrophobicContact CG1-CE2 3.88Å; V629-F662 HydrophobicContact CG1-CZ 4.15Å; V629-F662 HydrophobicContact CG2-CE2 4.16Å; F643-F662 HydrophobicContact CB-CZ 4.09Å; F643-F662 HydrophobicContact CD1-CE1 4.06Å; F643-F662 HydrophobicContact CD1-CZ 4.16Å; F643-F662 AromaticContact CD2-CE1 3.68Å; F643-F662 HydrophobicContact CD2-CE1 3.68Å; F643-F662 AromaticContact CD2-CZ 3.54Å; F643-F662 HydrophobicContact CD2-CZ 3.54Å; F643-F662 AromaticContact CE1-CE1 3.94Å; F643-F662 HydrophobicContact CE1-CE1 3.94Å; F643-F662 HydrophobicContact CE1-CZ 4.49Å; F643-F662 AromaticContact CE2-CE1 3.58Å; F643-F662 HydrophobicContact CE2-CE1 3.58Å; F643-F662 AromaticContact CE2-CZ 3.95Å; F643-F662 HydrophobicContact CE2-CZ 3.95Å; F643-F662 AromaticContact CG-CE1 3.93Å; F643-F662 HydrophobicContact CG-CE1 3.93Å; F643-F662 AromaticContact CG-CZ 3.67Å; F643-F662 HydrophobicContact CG-CZ 3.67Å; F643-F662 AromaticContact CZ-CE1 3.72Å; F643-F662 HydrophobicContact CZ-CE1 3.72Å; F643-F662 HydrophobicContact CZ-CZ 4.41Å; I652-F662 HydrophobicContact CG2-CD2 4.39Å; I652-F662 HydrophobicContact CG2-CE2 4.37Å; A653-F662 CarbonylContact O-C 3.55Å; A653-F662 WeakPolarHBondContact O-CA 3.45Å; A653-F662 WeakPolarHBondContact O-CB 3.47Å; F662-L673 WeakPolarHBondContact O-CA 3.42Å; F662-W674 HydrophobicContact CD1-CB 3.7Å; F662-W674 HydrophobicContact CD1-CG 4.35Å; F662-W674 HydrophobicContact CE1-CB 3.33Å; F662-W674 AromaticContact CE1-CD1 3.91Å; F662-W674 HydrophobicContact CE1-CD2 4.49Å; F662-W674 AromaticContact CE1-CG 3.68Å; F662-W674 HydrophobicContact CE1-CG 3.68Å; F662-W674 HydrophobicContact CE2-CB 4.39Å; F662-W674 AromaticContact CE2-CD1 3.43Å; F662-W674 VanDerWaalsContact CE2-CD1 3.43Å; F662-W674 HydrophobicContact CE2-CG 4.05Å; F662-W674 AromaticContact CE2-NE1 3.96Å; F662-W674 HydrophobicContact CG-CB 4.38Å; F662-W674 HydrophobicContact CZ-CB 3.72Å; F662-W674 AromaticContact CZ-CD1 3.33Å; F662-W674 HydrophobicContact CZ-CD2 4.14Å; F662-W674 AromaticContact CZ-CG 3.49Å; F662-W674 HydrophobicContact CZ-CG 3.49Å; F662-W674 VanDerWaalsContact CZ-CG 3.49Å; F662-W674 AromaticContact CZ-NE1 3.88Å; F662-W674 PolarHBondContact N-O 3.05Å; F662-W674 PolarHBondContact O-N 3.04Å; F662-I676 HydrophobicContact CD1-CD1 3.8Å; F662-I676 HydrophobicContact CD1-CG1 3.61Å; F662-I676 HydrophobicContact CE1-CD1 4.5Å; F662-I676 HydrophobicContact CE1-CG1 3.98Å
663	L	98.2	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.6	174.9	-166.8	71.7	0	0	0	109.8	I652 A653 L671 R672 A697 F699 A706 L723	I652-L663 VanDerWaalsContact CA-O 3.29Å; I652-L663 WeakPolarHBondContact CA-O 3.41Å; A653-L663 PolarHBondContact N-O 2.61Å; A653-L663 PolarHBondContact O-N 3.14Å; L663-L671 HydrophobicContact CD1-CD1 3.53Å; L663-L671 HydrophobicContact CD1-CD2 4.29Å; L663-L671 HydrophobicContact CD1-CG 3.89Å; L663-L671 HydrophobicContact CD2-CD1 4.1Å; L663-L671 HydrophobicContact CG-CD1 3.69Å; L663-R672 CarbonylContact C-O 3.41Å; L663-R672 WeakPolarHBondContact CA-O 3.39Å; L663-A697 HydrophobicContact CD2-CB 4.31Å; L663-F699 HydrophobicContact CB-CD2 4.42Å; L663-F699 HydrophobicContact CB-CE1 4.46Å; L663-F699 HydrophobicContact CB-CE2 3.61Å; L663-F699 HydrophobicContact CB-CZ 3.65Å; L663-F699 HydrophobicContact CD1-CZ 4.43Å; L663-F699 HydrophobicContact CD2-CE2 4.49Å; L663-F699 HydrophobicContact CD2-CZ 4.43Å; L663-F699 HydrophobicContact CG-CZ 4.4Å; L663-A706 HydrophobicContact CD1-CB 3.78Å; L663-A706 HydrophobicContact CD2-CB 3.71Å; L663-A706 HydrophobicContact CG-CB 4.42Å; L663-L723 HydrophobicContact CD1-CD1 4.25Å
664	S	98.4	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.1	175.2	55.4	0	0	0	0	111.9	H645 A651 L671 R672 W674	H645-S664 PolarHBondContact CE1-OG 3.38Å; H645-S664 PolarHBondContact NE2-OG 2.91Å; A651-S664 WeakPolarHBondContact O-CA 3.46Å; S664-L671 WeakPolarHBondContact O-CD1 3.27Å; S664-R672 PolarHBondContact N-O 3Å; S664-R672 PolarHBondContact O-N 3.46Å; S664-R672 PolarHBondContact OG-O 3.49Å; S664-W674 VanDerWaalsContact OG-CD1 3.26Å; S664-W674 PolarHBondContact OG-NE1 3.32Å
665	G	97.8	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137	174.5	0	0	0	0	0	111.3	V649 T650 A651	V649-G665 CarbonylContact C-O 3.6Å; V649-G665 WeakPolarHBondContact CG1-O 3.33Å; T650-G665 PolarHBondContact N-O 3.47Å; T650-G665 PolarHBondContact OG1-O 3.21Å; A651-G665 PolarHBondContact O-N 2.87Å
666	S	96.9	Very high	95.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	158.4	-175.7	173.6	0	0	0	0	112.8	D647 F648 D668 G669 I694	D647-S666 PolarHBondContact O-OG 3.46Å; F648-S666 CarbonylContact O-C 3.56Å; F648-S666 VanDerWaalsContact O-CA 3.24Å; F648-S666 WeakPolarHBondContact O-CA 3.24Å; F648-S666 WeakPolarHBondContact O-CB 3.44Å; F648-S666 PolarHBondContact O-OG 2.89Å; S666-D668 VanDerWaalsContact CB-OD1 3.31Å; S666-D668 WeakPolarHBondContact CB-OD1 3.29Å; S666-D668 PolarHBondContact O-N 2.8Å; S666-D668 PolarHBondContact OG-N 2.79Å; S666-D668 PolarHBondContact OG-OD1 3.03Å; S666-G669 PolarHBondContact O-N 2.86Å; S666-G669 VanDerWaalsContact O-N 3.09Å; S666-I694 PolarHBondContact O-N 3.4Å
667	L	95.7	Very high	95.1	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.3	172.6	-64.8	-170.9	0	0	0	114	L382 I386 R389 F648 T650 G669 L693 T695	L382-L667 HydrophobicContact CD1-CD1 3.9Å; I386-L667 HydrophobicContact CD1-CD1 4.46Å; I386-L667 HydrophobicContact CD1-CD2 4.04Å; I386-L667 HydrophobicContact CG1-CD1 3.96Å; I386-L667 HydrophobicContact CG1-CD2 4.1Å; R389-L667 PolarHBondContact NH1-O 2.8Å; F648-L667 HydrophobicContact CB-CD1 4Å; F648-L667 HydrophobicContact CB-CG 4.18Å; F648-L667 HydrophobicContact CD2-CD1 3.93Å; F648-L667 HydrophobicContact CG-CD1 4.26Å; F648-L667 PolarHBondContact O-N 3.26Å; T650-L667 HydrophobicContact CG2-CD2 3.68Å; T650-L667 HydrophobicContact CG2-CG 3.74Å; L667-G669 PolarHBondContact O-N 2.91Å; L667-L693 HydrophobicContact CB-CD2 4.24Å; L667-L693 HydrophobicContact CD2-CB 4.15Å; L667-L693 HydrophobicContact CD2-CD2 4.2Å; L667-L693 WeakPolarHBondContact O-CD2 3.36Å; L667-T695 HydrophobicContact CD2-CG2 4.43Å
668	D	94.6	Very high	95.1	Very high	27 Å²	27	20.9 Å²	20.9	14%	0.144	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.3	165.3	72.9	-3.5	0	0	0	113.4	I646 D647 S666 K670 R672	I646-D668 HydrophobicContact CB-CB 4.32Å; D647-D668 HydrophobicContact CB-CB 3.8Å; S666-D668 VanDerWaalsContact CB-OD1 3.31Å; S666-D668 WeakPolarHBondContact CB-OD1 3.29Å; S666-D668 PolarHBondContact O-N 2.8Å; S666-D668 PolarHBondContact OG-N 2.79Å; S666-D668 PolarHBondContact OG-OD1 3.03Å; D668-K670 VanDerWaalsContact C-N 3.31Å; D668-K670 WeakPolarHBondContact OD1-CB 3.04Å; D668-K670 PolarHBondContact OD1-N 3.43Å; D668-R672 IonicContact OD1-NH1 3.67Å; D668-R672 PolarHBondContact OD1-NH1 3.07Å; D668-R672 IonicContact OD2-CZ 3.49Å; D668-R672 VanDerWaalsContact OD2-CZ 3.23Å; D668-R672 IonicContact OD2-NH1 3.44Å; D668-R672 PolarHBondContact OD2-NH1 2.8Å; D668-R672 IonicContact OD2-NH2 2.71Å; D668-R672 PolarHBondContact OD2-NH2 2.88Å
669	G	94.9	Very high	95.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	80	9	179.1	0	0	0	0	0	114.4	S666 L667 E686 V687 R692	S666-G669 PolarHBondContact O-N 2.86Å; S666-G669 VanDerWaalsContact O-N 3.09Å; L667-G669 PolarHBondContact O-N 2.91Å; G669-E686 WeakPolarHBondContact O-CA 3.49Å; G669-V687 WeakPolarHBondContact O-CG2 3.41Å; G669-V687 PolarHBondContact O-N 3.33Å; G669-R692 WeakPolarHBondContact CA-O 3.35Å; G669-R692 PolarHBondContact N-O 3.31Å
670	K	96.7	Very high	95.4	Very high	46 Å²	46	26.2 Å²	26.2	20%	0.2	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.1	-178.7	-64.9	179	177.3	-165.6	0	112.4	D668 R672 W684 N685 E686 I694	D668-K670 VanDerWaalsContact C-N 3.31Å; D668-K670 WeakPolarHBondContact OD1-CB 3.04Å; D668-K670 PolarHBondContact OD1-N 3.43Å; K670-R672 PolarHBondContact O-NH1 3.02Å; K670-W684 HydrophobicContact CD-CE3 3.79Å; K670-W684 HydrophobicContact CD-CZ3 3.87Å; K670-W684 HydrophobicContact CG-CE3 4.16Å; K670-W684 HydrophobicContact CG-CZ3 4.34Å; K670-N685 CarbonylContact C-O 3.48Å; K670-N685 VanDerWaalsContact CA-O 3.3Å; K670-N685 WeakPolarHBondContact CA-O 3.49Å; K670-E686 WeakPolarHBondContact CE-OE2 3.25Å; K670-E686 HydrophobicContact CG-CB 4.18Å; K670-E686 HydrophobicContact CG-CG 3.88Å; K670-E686 IonicContact NZ-OE2 2.72Å; K670-I694 VanDerWaalsContact C-CD1 3.49Å
671	L	97.8	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.1	166.9	-175	58.8	0	0	0	108.3	L663 S664 W684 N685 I694 A706 I708 Y718 L723	L663-L671 HydrophobicContact CD1-CD1 3.53Å; L663-L671 HydrophobicContact CD1-CD2 4.29Å; L663-L671 HydrophobicContact CD1-CG 3.89Å; L663-L671 HydrophobicContact CD2-CD1 4.1Å; L663-L671 HydrophobicContact CG-CD1 3.69Å; S664-L671 WeakPolarHBondContact O-CD1 3.27Å; L671-W684 CarbonylContact O-C 3.56Å; L671-W684 WeakPolarHBondContact O-CA 3.47Å; L671-W684 WeakPolarHBondContact O-CB 2.96Å; L671-N685 PolarHBondContact N-O 3.33Å; L671-N685 PolarHBondContact O-N 3.08Å; L671-I694 HydrophobicContact CB-CD1 4.13Å; L671-A706 HydrophobicContact CD2-CB 4.27Å; L671-I708 HydrophobicContact CB-CG2 4.4Å; L671-I708 HydrophobicContact CD1-CG2 3.4Å; L671-I708 VanDerWaalsContact CD1-CG2 3.4Å; L671-I708 HydrophobicContact CD2-CG2 3.73Å; L671-I708 HydrophobicContact CG-CG2 4.03Å; L671-Y718 HydrophobicContact CD2-CD2 3.66Å; L671-Y718 HydrophobicContact CD2-CE2 4.06Å; L671-Y718 HydrophobicContact CD2-CG 4.09Å; L671-L723 HydrophobicContact CB-CD2 4.5Å; L671-L723 HydrophobicContact CD2-CD1 3.83Å; L671-L723 HydrophobicContact CD2-CD2 4.45Å; L671-L723 HydrophobicContact CD2-CG 4.26Å; L671-L723 HydrophobicContact CG-CD1 4.24Å; L671-L723 HydrophobicContact CG-CD2 4.17Å
672	R	98	Very high	95.6	Very high	21 Å²	21	23.1 Å²	23.1	8%	0.079	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.4	178.4	-63.9	171.1	177.4	80.6	-8.8	110.9	H645 L663 S664 D668 K670 V681 W684	H645-R672 PolarHBondContact ND1-NH1 3.27Å; L663-R672 CarbonylContact C-O 3.41Å; L663-R672 WeakPolarHBondContact CA-O 3.39Å; S664-R672 PolarHBondContact N-O 3Å; S664-R672 PolarHBondContact O-N 3.46Å; S664-R672 PolarHBondContact OG-O 3.49Å; D668-R672 IonicContact OD1-NH1 3.67Å; D668-R672 PolarHBondContact OD1-NH1 3.07Å; D668-R672 IonicContact OD2-CZ 3.49Å; D668-R672 VanDerWaalsContact OD2-CZ 3.23Å; D668-R672 IonicContact OD2-NH1 3.44Å; D668-R672 PolarHBondContact OD2-NH1 2.8Å; D668-R672 IonicContact OD2-NH2 2.71Å; D668-R672 PolarHBondContact OD2-NH2 2.88Å; K670-R672 PolarHBondContact O-NH1 3.02Å; R672-V681 HydrophobicContact CB-CG1 4.21Å; R672-V681 HydrophobicContact CG-CG1 4.18Å; R672-V681 HydrophobicContact CG-CG2 4.5Å; R672-W684 HydrophobicContact CG-CB 3.95Å
673	L	97.9	Very high	95.6	Very high	13 Å²	13	26 Å²	26	7%	0.068	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.4	162.9	-173.3	73	0	0	0	107.5	Y661 F662 A682 L683 F699 T720	Y661-L673 HydrophobicContact CD1-CG 4.43Å; F662-L673 WeakPolarHBondContact O-CA 3.42Å; L673-A682 PolarHBondContact O-N 3.35Å; L673-L683 HydrophobicContact CB-CB 4.27Å; L673-L683 HydrophobicContact CD2-CD1 4.26Å; L673-L683 PolarHBondContact N-O 3.41Å; L673-L683 PolarHBondContact O-N 3.47Å; L673-L683 VanDerWaalsContact O-N 3.15Å; L673-F699 HydrophobicContact CD1-CZ 3.94Å; L673-T720 HydrophobicContact CD2-CG2 4.44Å
674	W	97.6	Very high	95.5	Very high	15 Å²	15	32.9 Å²	32.9	6%	0.057	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.9	-180	-65.9	90.2	0	0	0	110.7	F643 H645 Y661 F662 S664 K680 V681	F643-W674 HydrophobicContact CB-CD2 4.25Å; F643-W674 HydrophobicContact CB-CE3 4.2Å; F643-W674 HydrophobicContact CB-CH2 3.97Å; F643-W674 HydrophobicContact CB-CZ2 4.01Å; F643-W674 HydrophobicContact CB-CZ3 4.06Å; F643-W674 HydrophobicContact CD1-CD2 4Å; F643-W674 AromaticContact CD1-CE3 3.52Å; F643-W674 HydrophobicContact CD1-CE3 3.52Å; F643-W674 AromaticContact CD1-CZ3 3.88Å; F643-W674 HydrophobicContact CD1-CZ3 3.88Å; F643-W674 HydrophobicContact CE1-CE3 4.34Å; F643-W674 HydrophobicContact CG-CD2 4.4Å; F643-W674 HydrophobicContact CG-CE3 4.25Å; F643-W674 HydrophobicContact CG-CZ3 4.46Å; H645-W674 AromaticContact CD2-CZ2 3.78Å; H645-W674 AromaticContact CE1-NE1 3.86Å; H645-W674 AromaticContact NE2-CE2 3.73Å; H645-W674 AromaticContact NE2-CZ2 3.53Å; H645-W674 AromaticContact NE2-NE1 3.36Å; H645-W674 PolarHBondContact NE2-NE1 3.32Å; Y661-W674 WeakPolarHBondContact CA-O 3.34Å; Y661-W674 WeakPolarHBondContact CD1-O 3.42Å; F662-W674 HydrophobicContact CD1-CB 3.7Å; F662-W674 HydrophobicContact CD1-CG 4.35Å; F662-W674 HydrophobicContact CE1-CB 3.33Å; F662-W674 AromaticContact CE1-CD1 3.91Å; F662-W674 HydrophobicContact CE1-CD2 4.49Å; F662-W674 AromaticContact CE1-CG 3.68Å; F662-W674 HydrophobicContact CE1-CG 3.68Å; F662-W674 HydrophobicContact CE2-CB 4.39Å; F662-W674 AromaticContact CE2-CD1 3.43Å; F662-W674 VanDerWaalsContact CE2-CD1 3.43Å; F662-W674 HydrophobicContact CE2-CG 4.05Å; F662-W674 AromaticContact CE2-NE1 3.96Å; F662-W674 HydrophobicContact CG-CB 4.38Å; F662-W674 HydrophobicContact CZ-CB 3.72Å; F662-W674 AromaticContact CZ-CD1 3.33Å; F662-W674 HydrophobicContact CZ-CD2 4.14Å; F662-W674 AromaticContact CZ-CG 3.49Å; F662-W674 HydrophobicContact CZ-CG 3.49Å; F662-W674 VanDerWaalsContact CZ-CG 3.49Å; F662-W674 AromaticContact CZ-NE1 3.88Å; F662-W674 PolarHBondContact N-O 3.05Å; F662-W674 PolarHBondContact O-N 3.04Å; S664-W674 VanDerWaalsContact OG-CD1 3.26Å; S664-W674 PolarHBondContact OG-NE1 3.32Å; W674-K680 WeakPolarHBondContact CA-O 3.33Å; W674-K680 VanDerWaalsContact CE3-C 3.47Å; W674-V681 HydrophobicContact CD2-CG2 3.81Å; W674-V681 HydrophobicContact CE3-CB 4.41Å; W674-V681 HydrophobicContact CE3-CG2 3.62Å; W674-V681 HydrophobicContact CH2-CG2 3.51Å; W674-V681 HydrophobicContact CZ2-CG2 3.69Å; W674-V681 HydrophobicContact CZ3-CG2 3.47Å; W674-V681 VanDerWaalsContact CZ3-CG2 3.47Å
675	N	95.3	Very high	95.5	Very high	14 Å²	14	35.3 Å²	35.3	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.3	162.4	-164.3	1.4	0	0	0	108.3	R660 Y661 P677 D678 K679 K680 A682	R660-N675 PolarHBondContact O-OD1 3.19Å; Y661-N675 HydrophobicContact CD1-CB 4.16Å; Y661-N675 HydrophobicContact CE1-CB 3.71Å; N675-P677 WeakPolarHBondContact OD1-CD 3.25Å; N675-D678 HydrophobicContact CB-CB 4.11Å; N675-D678 PolarHBondContact ND2-OD1 3.19Å; N675-D678 PolarHBondContact ND2-OD2 2.68Å; N675-K679 PolarHBondContact O-N 2.89Å; N675-K680 PolarHBondContact N-O 3.19Å; N675-K680 PolarHBondContact O-N 3.41Å; N675-A682 HydrophobicContact CB-CB 4.35Å
676	I	93.6	Very high	95.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-52.5	-170.7	-71.3	174	0	0	0	112.3	I67 L631 F643 F654 R660 F662 K679	I67-I676 HydrophobicContact CD1-CG2 3.57Å; I67-I676 HydrophobicContact CG1-CG2 4.11Å; L631-I676 HydrophobicContact CD2-CG2 3.51Å; F643-I676 HydrophobicContact CZ-CB 4.35Å; F643-I676 HydrophobicContact CZ-CG1 3.99Å; F643-I676 HydrophobicContact CZ-CG2 4.3Å; F654-I676 HydrophobicContact CD1-CD1 4.39Å; F654-I676 HydrophobicContact CE1-CD1 3.61Å; F654-I676 HydrophobicContact CZ-CD1 4.35Å; R660-I676 VanDerWaalsContact O-CB 3.29Å; R660-I676 WeakPolarHBondContact O-CB 3.32Å; R660-I676 WeakPolarHBondContact O-CG1 3.3Å; R660-I676 PolarHBondContact O-N 3.09Å; F662-I676 HydrophobicContact CD1-CD1 3.8Å; F662-I676 HydrophobicContact CD1-CG1 3.61Å; F662-I676 HydrophobicContact CE1-CD1 4.5Å; F662-I676 HydrophobicContact CE1-CG1 3.98Å; I676-K679 PolarHBondContact O-N 2.89Å; I676-K679 VanDerWaalsContact O-N 3.12Å
677	P	91.1	Very high	95.1	Very high	12 Å²	12	37.9 Å²	37.9	8%	0.078	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-56.2	172.1	-30.3	35.9	0	0	0	112.7	N675 K679	N675-P677 WeakPolarHBondContact OD1-CD 3.25Å; P677-K679 WeakPolarHBondContact O-CG 3.44Å; P677-K679 PolarHBondContact O-N 3.37Å
678	D	89.5	Confident	94.6	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.3	-178.8	-50.1	13.8	0	0	0	113.8	E70 N675 K680	E70-D678 WeakPolarHBondContact OE1-CA 3.17Å; E70-D678 WeakPolarHBondContact OE2-CA 3.34Å; N675-D678 HydrophobicContact CB-CB 4.11Å; N675-D678 PolarHBondContact ND2-OD1 3.19Å; N675-D678 PolarHBondContact ND2-OD2 2.68Å; D678-K680 HydrophobicContact CB-CB 4.13Å; D678-K680 HydrophobicContact CB-CD 4.27Å; D678-K680 VanDerWaalsContact O-CD 3.28Å; D678-K680 WeakPolarHBondContact O-CD 3.23Å; D678-K680 VanDerWaalsContact O-CE 3.3Å; D678-K680 WeakPolarHBondContact O-CE 3.38Å; D678-K680 WeakPolarHBondContact O-CG 3.42Å; D678-K680 PolarHBondContact O-N 2.99Å; D678-K680 VanDerWaalsContact O-N 3.12Å; D678-K680 PolarHBondContact O-NZ 3.03Å
679	K	91.1	Very high	93.7	Very high	53 Å²	53	44.7 Å²	44.7	23%	0.23	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	26.1	-170.8	-46.9	-162.2	-176.3	-159.9	0	114.5	I67 S71 L640 C641 N675 I676 P677	I67-K679 PolarHBondContact O-NZ 3.14Å; S71-K679 PolarHBondContact OG-NZ 3.18Å; L640-K679 PolarHBondContact O-NZ 3.33Å; C641-K679 WeakPolarHBondContact SG-CE 3.45Å; C641-K679 PolarHBondContact SG-NZ 3.43Å; N675-K679 PolarHBondContact O-N 2.89Å; I676-K679 PolarHBondContact O-N 2.89Å; I676-K679 VanDerWaalsContact O-N 3.12Å; P677-K679 WeakPolarHBondContact O-CG 3.44Å; P677-K679 PolarHBondContact O-N 3.37Å
680	K	93.3	Very high	92.7	Very high	114 Å²	114	54.2 Å²	54.2	50%	0.496	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.3	-166.6	-73.8	161	-156.7	101.6	0	113.3	E70 W674 N675 D678 A682	E70-K680 IonicContact OE1-NZ 3.98Å; E70-K680 PolarHBondContact OE1-NZ 2.73Å; W674-K680 WeakPolarHBondContact CA-O 3.33Å; W674-K680 VanDerWaalsContact CE3-C 3.47Å; N675-K680 PolarHBondContact N-O 3.19Å; N675-K680 PolarHBondContact O-N 3.41Å; D678-K680 HydrophobicContact CB-CB 4.13Å; D678-K680 HydrophobicContact CB-CD 4.27Å; D678-K680 VanDerWaalsContact O-CD 3.28Å; D678-K680 WeakPolarHBondContact O-CD 3.23Å; D678-K680 VanDerWaalsContact O-CE 3.3Å; D678-K680 WeakPolarHBondContact O-CE 3.38Å; D678-K680 WeakPolarHBondContact O-CG 3.42Å; D678-K680 PolarHBondContact O-N 2.99Å; D678-K680 VanDerWaalsContact O-N 3.12Å; D678-K680 PolarHBondContact O-NZ 3.03Å; K680-A682 PolarHBondContact O-N 2.9Å
681	V	96.8	Very high	91.7	Very high	52 Å²	52	54.1 Å²	54.1	32%	0.315	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	109.6	171.1	-179.3	0	0	0	0	108.7	R672 W674 L683 W684	R672-V681 HydrophobicContact CB-CG1 4.21Å; R672-V681 HydrophobicContact CG-CG1 4.18Å; R672-V681 HydrophobicContact CG-CG2 4.5Å; W674-V681 HydrophobicContact CD2-CG2 3.81Å; W674-V681 HydrophobicContact CE3-CB 4.41Å; W674-V681 HydrophobicContact CE3-CG2 3.62Å; W674-V681 HydrophobicContact CH2-CG2 3.51Å; W674-V681 HydrophobicContact CZ2-CG2 3.69Å; W674-V681 HydrophobicContact CZ3-CG2 3.47Å; W674-V681 VanDerWaalsContact CZ3-CG2 3.47Å; V681-L683 WeakPolarHBondContact CG1-O 3.19Å; V681-W684 HydrophobicContact CG1-CB 3.96Å; V681-W684 HydrophobicContact CG1-CG 4.47Å
682	A	95.6	Very high	91.2	Very high	51 Å²	51	59.8 Å²	59.8	42%	0.421	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-43	177.3	0	0	0	0	0	111.5	Y661 L673 N675 K680	Y661-A682 HydrophobicContact CE1-CB 4.37Å; L673-A682 PolarHBondContact O-N 3.35Å; N675-A682 HydrophobicContact CB-CB 4.35Å; K680-A682 PolarHBondContact O-N 2.9Å
683	L	97	Very high	91	Very high	60 Å²	60	59.5 Å²	59.5	31%	0.314	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.4	177.6	-64.9	171.1	0	0	0	110.4	L673 V681 L723	L673-L683 HydrophobicContact CB-CB 4.27Å; L673-L683 HydrophobicContact CD2-CD1 4.26Å; L673-L683 PolarHBondContact N-O 3.41Å; L673-L683 PolarHBondContact O-N 3.47Å; L673-L683 VanDerWaalsContact O-N 3.15Å; V681-L683 WeakPolarHBondContact CG1-O 3.19Å; L683-L723 HydrophobicContact CB-CB 3.94Å; L683-L723 HydrophobicContact CB-CD2 4.28Å; L683-L723 HydrophobicContact CD1-CB 4.3Å
684	W	97	Very high	90.9	Very high	144 Å²	144	58.9 Å²	58.9	55%	0.545	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.8	170.2	68.4	-85	0	0	0	111.6	K670 L671 R672 V681 E686	K670-W684 HydrophobicContact CD-CE3 3.79Å; K670-W684 HydrophobicContact CD-CZ3 3.87Å; K670-W684 HydrophobicContact CG-CE3 4.16Å; K670-W684 HydrophobicContact CG-CZ3 4.34Å; L671-W684 CarbonylContact O-C 3.56Å; L671-W684 WeakPolarHBondContact O-CA 3.47Å; L671-W684 WeakPolarHBondContact O-CB 2.96Å; R672-W684 HydrophobicContact CG-CB 3.95Å; V681-W684 HydrophobicContact CG1-CB 3.96Å; V681-W684 HydrophobicContact CG1-CG 4.47Å; W684-E686 HydrophobicContact CZ3-CB 4.36Å
685	N	96.7	Very high	90.9	Very high	51 Å²	51	58.2 Å²	58.2	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.5	173.1	-153	-24.9	0	0	0	110	K670 L671 Y718 L723	K670-N685 CarbonylContact C-O 3.48Å; K670-N685 VanDerWaalsContact CA-O 3.3Å; K670-N685 WeakPolarHBondContact CA-O 3.49Å; L671-N685 PolarHBondContact N-O 3.33Å; L671-N685 PolarHBondContact O-N 3.08Å; N685-Y718 HydrophobicContact CB-CD1 4.25Å; N685-Y718 HydrophobicContact CB-CE1 3.95Å; N685-Y718 WeakPolarHBondContact ND2-CE1 3.48Å; N685-L723 HydrophobicContact CB-CD2 4.31Å; N685-L723 HydrophobicContact CB-CG 4.29Å; N685-L723 PolarHBondContact ND2-O 2.7Å
686	E	94.7	Very high	91	Very high	53 Å²	53	57.7 Å²	57.7	25%	0.248	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	154.4	-177.4	-159.8	170.8	138.7	0	0	111.5	G669 K670 W684 R692 Y718	G669-E686 WeakPolarHBondContact O-CA 3.49Å; K670-E686 WeakPolarHBondContact CE-OE2 3.25Å; K670-E686 HydrophobicContact CG-CB 4.18Å; K670-E686 HydrophobicContact CG-CG 3.88Å; K670-E686 IonicContact NZ-OE2 2.72Å; W684-E686 HydrophobicContact CZ3-CB 4.36Å; E686-R692 WeakPolarHBondContact OE1-CD 3.46Å; E686-R692 IonicContact OE1-CZ 2.75Å; E686-R692 IonicContact OE1-NE 3.38Å; E686-R692 IonicContact OE1-NH1 2.95Å; E686-R692 PolarHBondContact OE1-NH1 2.89Å; E686-Y718 PolarHBondContact O-OH 3.19Å
687	V	93	Very high	91.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.006	30%	0.295	C	S	.	.			trans	-90.4	113.9	179.1	177.6	0	0	0	0	111.1	G669 R692 I694 I708 T710 I716	G669-V687 WeakPolarHBondContact O-CG2 3.41Å; G669-V687 PolarHBondContact O-N 3.33Å; V687-R692 WeakPolarHBondContact O-CD 3.48Å; V687-R692 VanDerWaalsContact O-CG 3.28Å; V687-R692 WeakPolarHBondContact O-CG 3.38Å; V687-I694 HydrophobicContact CG2-CD1 3.96Å; V687-I694 HydrophobicContact CG2-CG1 3.75Å; V687-I708 HydrophobicContact CG2-CD1 3.28Å; V687-T710 HydrophobicContact CG1-CG2 3.98Å; V687-I716 HydrophobicContact CG1-CD1 4.01Å
688	D	84.8	Confident	91.5	Very high	135 Å²	135	59.1 Å²	59.1	72%	0.722	30%	0.301	S	S	*	.			trans	-64.8	135	171.7	-77.7	-48	0	0	0	112.5	R714	D688-R714 PolarHBondContact O-NH1 3.39Å; D688-R714 PolarHBondContact O-NH2 3.19Å
689	G	75.4	Confident	91.8	Very high	38 Å²	38	56.4 Å²	56.4	39%	0.392	29%	0.286	S	S	.	.	S	Bend	trans	146	-174.8	174.4	0	0	0	0	0	113.7	R692	G689-R692 PolarHBondContact O-NE 3.09Å
690	Q	73.1	Confident	92	Very high	201 Å²	201	54 Å²	54	94%	0.939	28%	0.276	S	S	*	.	S	Bend	trans	-80.3	-39.7	173.8	-68.1	178.2	-32.9	0	0	111.6
691	T	77.3	Confident	91.9	Very high	43 Å²	43	51.3 Å²	51.3	26%	0.264	27%	0.265	S	S	.	.			trans	-106.1	79.6	-179.6	38	0	0	0	0	110.6	L693	T691-L693 PolarHBondContact O-N 2.9Å
692	R	86.5	Confident	91.5	Very high	120 Å²	120	53.2 Å²	53.2	45%	0.453	27%	0.273	S	S	.	.			trans	-75.7	59.5	-179.5	-50	-168.2	-172.4	169.4	1.2	112.2	G669 E686 V687 G689	G669-R692 WeakPolarHBondContact CA-O 3.35Å; G669-R692 PolarHBondContact N-O 3.31Å; E686-R692 WeakPolarHBondContact OE1-CD 3.46Å; E686-R692 IonicContact OE1-CZ 2.75Å; E686-R692 IonicContact OE1-NE 3.38Å; E686-R692 IonicContact OE1-NH1 2.95Å; E686-R692 PolarHBondContact OE1-NH1 2.89Å; V687-R692 WeakPolarHBondContact O-CD 3.48Å; V687-R692 VanDerWaalsContact O-CG 3.28Å; V687-R692 WeakPolarHBondContact O-CG 3.38Å; G689-R692 PolarHBondContact O-NE 3.09Å
693	L	93.3	Very high	91.3	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	26%	0.255	C	S	.	.			trans	-119.3	114.6	-178.4	-57.3	-178.8	0	0	0	110	I386 T390 L667 T691 T710 Y711	I386-L693 HydrophobicContact CG2-CD1 3.95Å; T390-L693 HydrophobicContact CG2-CD1 3.76Å; L667-L693 HydrophobicContact CB-CD2 4.24Å; L667-L693 HydrophobicContact CD2-CB 4.15Å; L667-L693 HydrophobicContact CD2-CD2 4.2Å; L667-L693 WeakPolarHBondContact O-CD2 3.36Å; T691-L693 PolarHBondContact O-N 2.9Å; L693-T710 WeakPolarHBondContact O-CA 3.39Å; L693-Y711 HydrophobicContact CD1-CG 4.36Å; L693-Y711 PolarHBondContact O-N 3.05Å; L693-Y711 VanDerWaalsContact O-N 3.08Å
694	I	96.8	Very high	91.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.6	170	-57	170.9	0	0	0	108.2	T650 S666 K670 L671 V687 A696 I708	T650-I694 PolarHBondContact OG1-O 3.01Å; S666-I694 PolarHBondContact O-N 3.4Å; K670-I694 VanDerWaalsContact C-CD1 3.49Å; L671-I694 HydrophobicContact CB-CD1 4.13Å; V687-I694 HydrophobicContact CG2-CD1 3.96Å; V687-I694 HydrophobicContact CG2-CG1 3.75Å; I694-A696 WeakPolarHBondContact CG2-O 3.21Å; I694-I708 HydrophobicContact CD1-CD1 4.26Å; I694-I708 HydrophobicContact CD1-CG2 4.42Å; I694-I708 HydrophobicContact CG1-CD1 4.15Å; I694-I708 HydrophobicContact CG2-CB 4.09Å; I694-I708 HydrophobicContact CG2-CG2 4.04Å
695	T	96.4	Very high	91	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	-5.1	-176.3	59.9	0	0	0	0	113.7	I386 L667 G709 K743 I744 Q788	I386-T695 HydrophobicContact CD1-CG2 4.08Å; L667-T695 HydrophobicContact CD2-CG2 4.43Å; T695-G709 PolarHBondContact N-O 3.44Å; T695-G709 PolarHBondContact OG1-O 3.45Å; T695-K743 HydrophobicContact CG2-CD 4.23Å; T695-K743 HydrophobicContact CG2-CG 4.02Å; T695-I744 CarbonylContact C-O 3.56Å; T695-I744 WeakPolarHBondContact CB-O 3.35Å; T695-I744 PolarHBondContact OG1-O 2.94Å; T695-Q788 PolarHBondContact O-NE2 3.34Å
696	A	97.3	Very high	91.1	Very high	3 Å²	3	45 Å²	45	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.2	166.4	0	0	0	0	0	109.7	I694 I708 G709 I744 I747	I694-A696 WeakPolarHBondContact CG2-O 3.21Å; A696-I708 CarbonylContact O-C 3.53Å; A696-I708 WeakPolarHBondContact O-CA 3.44Å; A696-G709 PolarHBondContact N-O 2.87Å; A696-G709 PolarHBondContact O-N 3.31Å; A696-I744 HydrophobicContact CB-CG2 3.97Å; A696-I747 HydrophobicContact CB-CD1 4.31Å; A696-I747 HydrophobicContact CB-CG1 4.12Å
697	A	97.9	Very high	91.2	Very high	7 Å²	7	42.5 Å²	42.5	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	142.7	173.6	0	0	0	0	0	109.8	A651 L663 V707 I708	A651-A697 HydrophobicContact CB-CB 3.8Å; L663-A697 HydrophobicContact CD2-CB 4.31Å; A697-V707 CarbonylContact C-O 3.53Å; A697-V707 VanDerWaalsContact CA-O 3.32Å; A697-V707 WeakPolarHBondContact CA-O 3.27Å; A697-I708 HydrophobicContact CB-CG2 4.08Å
698	N	97.6	Very high	91.5	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	167.4	173.7	-150.9	-25.3	0	0	0	110.6	V707 I747 P749	N698-V707 PolarHBondContact N-O 3.36Å; N698-V707 PolarHBondContact O-N 2.82Å; N698-V707 VanDerWaalsContact O-O 3.11Å; N698-I747 HydrophobicContact CB-CB 4.46Å; N698-I747 HydrophobicContact CB-CG2 4.41Å; N698-I747 WeakPolarHBondContact CB-O 3.47Å; N698-I747 PolarHBondContact ND2-O 3.36Å; N698-P749 VanDerWaalsContact ND2-CD 3.27Å; N698-P749 WeakPolarHBondContact ND2-CD 3.26Å
699	F	96.3	Very high	92	Very high	6 Å²	6	36 Å²	36	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	158	165.6	-70.5	-77.3	0	0	0	111.2	A653 F654 H655 P656 L663 L673 Y705 A706 T720 P749	A653-F699 HydrophobicContact CB-CD2 4.08Å; A653-F699 HydrophobicContact CB-CE2 4.38Å; F654-F699 WeakPolarHBondContact O-CD2 3.41Å; H655-F699 VanDerWaalsContact CA-CE2 3.45Å; H655-F699 HydrophobicContact CB-CE2 3.89Å; H655-F699 HydrophobicContact CB-CZ 3.96Å; H655-F699 AromaticContact CD2-CE1 3.79Å; H655-F699 AromaticContact CD2-CZ 3.82Å; P656-F699 HydrophobicContact CG-CB 4.29Å; L663-F699 HydrophobicContact CB-CD2 4.42Å; L663-F699 HydrophobicContact CB-CE1 4.46Å; L663-F699 HydrophobicContact CB-CE2 3.61Å; L663-F699 HydrophobicContact CB-CZ 3.65Å; L663-F699 HydrophobicContact CD1-CZ 4.43Å; L663-F699 HydrophobicContact CD2-CE2 4.49Å; L663-F699 HydrophobicContact CD2-CZ 4.43Å; L663-F699 HydrophobicContact CG-CZ 4.4Å; L673-F699 HydrophobicContact CD1-CZ 3.94Å; F699-Y705 CarbonylContact C-O 3.59Å; F699-Y705 WeakPolarHBondContact CA-O 3.45Å; F699-A706 HydrophobicContact CD1-CB 4.39Å; F699-A706 HydrophobicContact CE1-CB 4.31Å; F699-T720 HydrophobicContact CE1-CG2 3.82Å; F699-P749 VanDerWaalsContact O-CG 3.32Å; F699-P749 WeakPolarHBondContact O-CG 3.47Å
700	C	94.9	Very high	93	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.02	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	170.4	165.1	76.7	0	0	0	0	111.5	N702 G703 K704 Y705 V707 P749 I756 L770	C700-N702 VanDerWaalsContact C-N 3.27Å; C700-N702 PolarHBondContact O-N 3.16Å; C700-G703 PolarHBondContact O-N 3.44Å; C700-K704 PolarHBondContact O-N 2.89Å; C700-Y705 PolarHBondContact N-O 2.98Å; C700-Y705 PolarHBondContact O-N 3.21Å; C700-V707 HydrophobicContact CB-CG2 3.94Å; C700-V707 WeakPolarHBondContact SG-CG2 3.49Å; C700-P749 HydrophobicContact CB-CB 4.19Å; C700-I756 HydrophobicContact CB-CG2 4.01Å; C700-L770 HydrophobicContact CB-CD1 4.07Å
701	Q	91.5	Very high	93.9	Very high	57 Å²	57	25.8 Å²	25.8	27%	0.266	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	46.4	-175.1	-57.8	-168.9	4.4	0	0	112.5	G703 K704 Y705 N754 L770	Q701-G703 PolarHBondContact O-N 2.95Å; Q701-K704 HydrophobicContact CB-CB 4.19Å; Q701-K704 WeakPolarHBondContact O-CB 3.45Å; Q701-K704 PolarHBondContact O-N 2.99Å; Q701-Y705 HydrophobicContact CB-CD2 4.35Å; Q701-Y705 HydrophobicContact CG-CD2 4.31Å; Q701-Y705 VanDerWaalsContact OE1-CE2 3.31Å; Q701-N754 VanDerWaalsContact CD-OD1 3.32Å; Q701-N754 WeakPolarHBondContact CG-OD1 3.44Å; Q701-N754 PolarHBondContact NE2-OD1 2.92Å; Q701-L770 HydrophobicContact CG-CD1 3.91Å
702	N	88.3	Confident	94.5	Very high	91 Å²	91	26 Å²	26	49%	0.487	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	49.5	176.1	-164.8	-8.4	0	0	0	112.9	R657 C700	R657-N702 WeakPolarHBondContact CG-OD1 2.97Å; R657-N702 VanDerWaalsContact CZ-O 3.29Å; R657-N702 VanDerWaalsContact NE-CG 3.26Å; R657-N702 PolarHBondContact NE-O 3.26Å; R657-N702 PolarHBondContact NE-OD1 3.29Å; R657-N702 VanDerWaalsContact NH2-CG 3.29Å; R657-N702 PolarHBondContact NH2-ND2 3.44Å; R657-N702 VanDerWaalsContact NH2-ND2 3.12Å; C700-N702 VanDerWaalsContact C-N 3.27Å; C700-N702 PolarHBondContact O-N 3.16Å
703	G	90.9	Very high	94.8	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.031	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-20.6	174.8	0	0	0	0	0	115.2	C700 Q701 Y705 T720	C700-G703 PolarHBondContact O-N 3.44Å; Q701-G703 PolarHBondContact O-N 2.95Å; G703-Y705 VanDerWaalsContact C-N 3.31Å; G703-Y705 PolarHBondContact O-N 3.16Å; G703-T720 VanDerWaalsContact O-CB 3.28Å; G703-T720 WeakPolarHBondContact O-CB 3.06Å; G703-T720 PolarHBondContact O-OG1 3.29Å
704	K	93.4	Very high	94.9	Very high	109 Å²	109	21 Å²	21	47%	0.474	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.1	-173.1	-171	-173	179.3	-156.4	0	114.4	C700 Q701 T720	C700-K704 PolarHBondContact O-N 2.89Å; Q701-K704 HydrophobicContact CB-CB 4.19Å; Q701-K704 WeakPolarHBondContact O-CB 3.45Å; Q701-K704 PolarHBondContact O-N 2.99Å; K704-T720 PolarHBondContact O-N 2.93Å; K704-T720 VanDerWaalsContact O-N 3.1Å; K704-T720 PolarHBondContact O-OG1 2.64Å
705	Y	95.8	Very high	94.9	Very high	23 Å²	23	21 Å²	21	9%	0.09	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.1	178.4	-60.3	-70.6	0	0	0	111.3	F699 C700 Q701 G703 Y718 D719 H726	F699-Y705 CarbonylContact C-O 3.59Å; F699-Y705 WeakPolarHBondContact CA-O 3.45Å; C700-Y705 PolarHBondContact N-O 2.98Å; C700-Y705 PolarHBondContact O-N 3.21Å; Q701-Y705 HydrophobicContact CB-CD2 4.35Å; Q701-Y705 HydrophobicContact CG-CD2 4.31Å; Q701-Y705 VanDerWaalsContact OE1-CE2 3.31Å; G703-Y705 VanDerWaalsContact C-N 3.31Å; G703-Y705 PolarHBondContact O-N 3.16Å; Y705-Y718 CarbonylContact C-O 3.55Å; Y705-Y718 VanDerWaalsContact CA-O 3.27Å; Y705-Y718 WeakPolarHBondContact CA-O 3.2Å; Y705-D719 HydrophobicContact CD1-CB 4.45Å; Y705-D719 HydrophobicContact CE1-CB 4.39Å; Y705-H726 HydrophobicContact CD1-CB 4.28Å; Y705-H726 AromaticContact CD1-CD2 3.83Å; Y705-H726 HydrophobicContact CE1-CB 4.1Å; Y705-H726 AromaticContact CE1-CD2 3.3Å; Y705-H726 WeakPolarHBondContact CE1-CD2 3.19Å; Y705-H726 AromaticContact CE1-CG 3.54Å; Y705-H726 AromaticContact CE1-NE2 3.7Å; Y705-H726 AromaticContact CZ-CD2 3.57Å; Y705-H726 AromaticContact CZ-NE2 3.5Å; Y705-H726 PolarHBondContact OH-NE2 3.13Å
706	A	97.4	Very high	94.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.7	162.3	0	0	0	0	0	109.2	L663 L671 F699 F717 Y718 T720 L723	L663-A706 HydrophobicContact CD1-CB 3.78Å; L663-A706 HydrophobicContact CD2-CB 3.71Å; L663-A706 HydrophobicContact CG-CB 4.42Å; L671-A706 HydrophobicContact CD2-CB 4.27Å; F699-A706 HydrophobicContact CD1-CB 4.39Å; F699-A706 HydrophobicContact CE1-CB 4.31Å; A706-F717 CarbonylContact O-C 3.38Å; A706-F717 WeakPolarHBondContact O-CA 3.47Å; A706-Y718 PolarHBondContact N-O 3.17Å; A706-Y718 PolarHBondContact O-N 2.77Å; A706-T720 PolarHBondContact N-OG1 3.21Å; A706-L723 HydrophobicContact CB-CD1 4.01Å
707	V	97.8	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.2	179.8	-162.7	0	0	0	0	109.2	A697 N698 C700 C715 I716 F717 I747	A697-V707 CarbonylContact C-O 3.53Å; A697-V707 VanDerWaalsContact CA-O 3.32Å; A697-V707 WeakPolarHBondContact CA-O 3.27Å; N698-V707 PolarHBondContact N-O 3.36Å; N698-V707 PolarHBondContact O-N 2.82Å; N698-V707 VanDerWaalsContact O-O 3.11Å; C700-V707 HydrophobicContact CB-CG2 3.94Å; C700-V707 WeakPolarHBondContact SG-CG2 3.49Å; V707-C715 HydrophobicContact CG1-CB 4.4Å; V707-I716 WeakPolarHBondContact CA-O 3.49Å; V707-F717 HydrophobicContact CB-CD1 4.33Å; V707-F717 HydrophobicContact CB-CE1 4.36Å; V707-F717 HydrophobicContact CG1-CD1 3.97Å; V707-F717 HydrophobicContact CG1-CD2 4.22Å; V707-F717 HydrophobicContact CG1-CE1 3.79Å; V707-F717 HydrophobicContact CG1-CE2 4.04Å; V707-F717 HydrophobicContact CG1-CG 4.18Å; V707-F717 HydrophobicContact CG1-CZ 3.83Å; V707-F717 HydrophobicContact CG2-CD1 3.51Å; V707-F717 HydrophobicContact CG2-CE1 3.58Å; V707-F717 HydrophobicContact CG2-CG 4.33Å; V707-F717 HydrophobicContact CG2-CZ 4.44Å; V707-I747 HydrophobicContact CG1-CD1 4.08Å; V707-I747 HydrophobicContact CG1-CG2 4.48Å
708	I	97.9	Very high	94.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151.9	173	55.6	165.2	0	0	0	111.2	L671 V687 I694 A696 A697 C715 I716 Y718 I747	L671-I708 HydrophobicContact CB-CG2 4.4Å; L671-I708 HydrophobicContact CD1-CG2 3.4Å; L671-I708 VanDerWaalsContact CD1-CG2 3.4Å; L671-I708 HydrophobicContact CD2-CG2 3.73Å; L671-I708 HydrophobicContact CG-CG2 4.03Å; V687-I708 HydrophobicContact CG2-CD1 3.28Å; I694-I708 HydrophobicContact CD1-CD1 4.26Å; I694-I708 HydrophobicContact CD1-CG2 4.42Å; I694-I708 HydrophobicContact CG1-CD1 4.15Å; I694-I708 HydrophobicContact CG2-CB 4.09Å; I694-I708 HydrophobicContact CG2-CG2 4.04Å; A696-I708 CarbonylContact O-C 3.53Å; A696-I708 WeakPolarHBondContact O-CA 3.44Å; A697-I708 HydrophobicContact CB-CG2 4.08Å; I708-C715 CarbonylContact O-C 3.59Å; I708-C715 WeakPolarHBondContact O-CA 3.38Å; I708-I716 HydrophobicContact CD1-CB 4.15Å; I708-I716 HydrophobicContact CD1-CD1 4.43Å; I708-I716 HydrophobicContact CG1-CB 3.85Å; I708-I716 WeakPolarHBondContact CG1-O 3.47Å; I708-I716 PolarHBondContact N-O 2.68Å; I708-I716 PolarHBondContact O-N 3.12Å; I708-Y718 HydrophobicContact CD1-CE2 3.73Å; I708-Y718 HydrophobicContact CG1-CD2 4.48Å; I708-Y718 HydrophobicContact CG1-CE2 3.89Å; I708-I747 VanDerWaalsContact C-CD1 3.46Å
709	G	97.2	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134	168.4	0	0	0	0	0	110.1	T695 A696 R714	T695-G709 PolarHBondContact N-O 3.44Å; T695-G709 PolarHBondContact OG1-O 3.45Å; A696-G709 PolarHBondContact N-O 2.87Å; A696-G709 PolarHBondContact O-N 3.31Å; G709-R714 WeakPolarHBondContact CA-O 3.49Å
710	T	95.7	Very high	94.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	164.7	-178	62.2	0	0	0	0	112.5	V687 L693 D712 G713 R714 I716 I744	V687-T710 HydrophobicContact CG1-CG2 3.98Å; L693-T710 WeakPolarHBondContact O-CA 3.39Å; T710-D712 VanDerWaalsContact C-N 3.29Å; T710-D712 WeakPolarHBondContact CB-OD1 3.34Å; T710-D712 PolarHBondContact O-N 3.46Å; T710-D712 PolarHBondContact OG1-OD1 2.78Å; T710-G713 PolarHBondContact O-N 2.85Å; T710-G713 PolarHBondContact OG1-N 2.85Å; T710-R714 HydrophobicContact CG2-CB 4.34Å; T710-R714 PolarHBondContact N-O 2.87Å; T710-R714 WeakPolarHBondContact OG1-CB 3.43Å; T710-R714 PolarHBondContact OG1-N 2.81Å; T710-R714 PolarHBondContact OG1-O 2.91Å; T710-I716 HydrophobicContact CG2-CD1 4.13Å; T710-I744 PolarHBondContact O-N 2.79Å
711	Y	92.1	Very high	94.6	Very high	23 Å²	23	29.3 Å²	29.3	9%	0.09	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.6	170.2	-175.6	-104.7	0	0	0	113.6	I386 T390 E392 L693 G713 R742 K743	I386-Y711 HydrophobicContact CG2-CD2 3.44Å; I386-Y711 VanDerWaalsContact CG2-CD2 3.44Å; I386-Y711 HydrophobicContact CG2-CE1 4.41Å; I386-Y711 HydrophobicContact CG2-CE2 3.21Å; I386-Y711 HydrophobicContact CG2-CG 4.11Å; T390-Y711 HydrophobicContact CG2-CD1 3.8Å; T390-Y711 HydrophobicContact CG2-CE1 3.48Å; T390-Y711 VanDerWaalsContact CG2-CE1 3.48Å; T390-Y711 PolarHBondContact OG1-OH 3.38Å; E392-Y711 WeakPolarHBondContact OE1-CE1 3.46Å; E392-Y711 PolarHBondContact OE1-OH 3.26Å; E392-Y711 PolarHBondContact OE2-OH 2.96Å; L693-Y711 HydrophobicContact CD1-CG 4.36Å; L693-Y711 PolarHBondContact O-N 3.05Å; L693-Y711 VanDerWaalsContact O-N 3.08Å; Y711-G713 PolarHBondContact O-N 3.23Å; Y711-R742 CarbonylContact O-C 3.55Å; Y711-K743 HydrophobicContact CD2-CB 3.75Å; Y711-K743 HydrophobicContact CD2-CD 4.26Å; Y711-K743 HydrophobicContact CD2-CG 4.03Å; Y711-K743 HydrophobicContact CE2-CB 4.12Å; Y711-K743 WeakPolarHBondContact O-CA 3.46Å; Y711-K743 PolarHBondContact O-N 3.35Å
712	D	90.1	Very high	94.6	Very high	49 Å²	49	35.1 Å²	35.1	26%	0.262	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	7.7	-179.3	69.6	0.8	0	0	0	114.8	T710 R714 G741	T710-D712 VanDerWaalsContact C-N 3.29Å; T710-D712 WeakPolarHBondContact CB-OD1 3.34Å; T710-D712 PolarHBondContact O-N 3.46Å; T710-D712 PolarHBondContact OG1-OD1 2.78Å; D712-R714 VanDerWaalsContact CG-NE 3.33Å; D712-R714 IonicContact OD1-CZ 2.67Å; D712-R714 IonicContact OD1-NE 3.93Å; D712-R714 PolarHBondContact OD1-NE 3.13Å; D712-R714 IonicContact OD1-NH2 2.87Å; D712-R714 IonicContact OD2-CZ 3.91Å; D712-R714 VanDerWaalsContact OD2-CZ 3.27Å; D712-R714 IonicContact OD2-NE 3.8Å; D712-R714 PolarHBondContact OD2-NE 3.26Å; D712-R714 IonicContact OD2-NH2 3.23Å; D712-R714 PolarHBondContact OD2-NH2 2.61Å; D712-G741 VanDerWaalsContact O-CA 3.31Å; D712-G741 WeakPolarHBondContact O-CA 3.44Å
713	G	92.9	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	76.3	36.9	175.5	0	0	0	0	0	114.3	T710 Y711 V731 R742	T710-G713 PolarHBondContact O-N 2.85Å; T710-G713 PolarHBondContact OG1-N 2.85Å; Y711-G713 PolarHBondContact O-N 3.23Å; G713-V731 WeakPolarHBondContact O-CA 3.46Å; G713-V731 WeakPolarHBondContact O-CB 3.4Å; G713-V731 PolarHBondContact O-N 3.5Å; G713-R742 WeakPolarHBondContact CA-O 3.25Å; G713-R742 PolarHBondContact N-O 3.5Å
714	R	94.8	Very high	95.2	Very high	28 Å²	28	37.3 Å²	37.3	11%	0.106	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.6	165.3	-65.9	179.1	-77.6	153.2	-6.3	109.5	D688 G709 T710 D712 I716 I729	D688-R714 PolarHBondContact O-NH1 3.39Å; D688-R714 PolarHBondContact O-NH2 3.19Å; G709-R714 WeakPolarHBondContact CA-O 3.49Å; T710-R714 HydrophobicContact CG2-CB 4.34Å; T710-R714 PolarHBondContact N-O 2.87Å; T710-R714 WeakPolarHBondContact OG1-CB 3.43Å; T710-R714 PolarHBondContact OG1-N 2.81Å; T710-R714 PolarHBondContact OG1-O 2.91Å; D712-R714 VanDerWaalsContact CG-NE 3.33Å; D712-R714 IonicContact OD1-CZ 2.67Å; D712-R714 IonicContact OD1-NE 3.93Å; D712-R714 PolarHBondContact OD1-NE 3.13Å; D712-R714 IonicContact OD1-NH2 2.87Å; D712-R714 IonicContact OD2-CZ 3.91Å; D712-R714 VanDerWaalsContact OD2-CZ 3.27Å; D712-R714 IonicContact OD2-NE 3.8Å; D712-R714 PolarHBondContact OD2-NE 3.26Å; D712-R714 IonicContact OD2-NH2 3.23Å; D712-R714 PolarHBondContact OD2-NH2 2.61Å; R714-I716 HydrophobicContact CB-CG1 4.14Å; R714-I729 WeakPolarHBondContact CA-O 3.36Å
715	C	97.1	Very high	95.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	121.7	158.5	-74	0	0	0	0	108.2	V707 I708 F717 Q728 I729 V731	V707-C715 HydrophobicContact CG1-CB 4.4Å; I708-C715 CarbonylContact O-C 3.59Å; I708-C715 WeakPolarHBondContact O-CA 3.38Å; C715-F717 HydrophobicContact CB-CE2 4.3Å; C715-Q728 CarbonylContact O-C 3.56Å; C715-Q728 WeakPolarHBondContact O-CA 3.27Å; C715-Q728 WeakPolarHBondContact O-CB 3.35Å; C715-I729 HydrophobicContact CB-CB 4.35Å; C715-I729 PolarHBondContact N-O 3.33Å; C715-I729 PolarHBondContact O-N 3.17Å; C715-V731 HydrophobicContact CB-CG2 4.18Å
716	I	97	Very high	95.3	Very high	4 Å²	4	41 Å²	41	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.2	-176.7	-51.9	175.1	0	0	0	108.6	V687 V707 I708 T710 R714 Y718 Y725 Q728	V687-I716 HydrophobicContact CG1-CD1 4.01Å; V707-I716 WeakPolarHBondContact CA-O 3.49Å; I708-I716 HydrophobicContact CD1-CB 4.15Å; I708-I716 HydrophobicContact CD1-CD1 4.43Å; I708-I716 HydrophobicContact CG1-CB 3.85Å; I708-I716 WeakPolarHBondContact CG1-O 3.47Å; I708-I716 PolarHBondContact N-O 2.68Å; I708-I716 PolarHBondContact O-N 3.12Å; T710-I716 HydrophobicContact CG2-CD1 4.13Å; R714-I716 HydrophobicContact CB-CG1 4.14Å; I716-Y718 HydrophobicContact CB-CE2 3.98Å; I716-Y718 HydrophobicContact CG2-CD2 4.18Å; I716-Y718 HydrophobicContact CG2-CE2 3.46Å; I716-Y718 VanDerWaalsContact CG2-CE2 3.46Å; I716-Y725 HydrophobicContact CG2-CD2 3.68Å; I716-Y725 HydrophobicContact CG2-CE2 3.76Å; I716-Q728 HydrophobicContact CG1-CB 4.17Å
717	F	97.4	Very high	95.2	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.4	-175.2	-64.2	-108	0	0	0	109.3	A706 V707 C715 H726 T727 I729 I756 L770	A706-F717 CarbonylContact O-C 3.38Å; A706-F717 WeakPolarHBondContact O-CA 3.47Å; V707-F717 HydrophobicContact CB-CD1 4.33Å; V707-F717 HydrophobicContact CB-CE1 4.36Å; V707-F717 HydrophobicContact CG1-CD1 3.97Å; V707-F717 HydrophobicContact CG1-CD2 4.22Å; V707-F717 HydrophobicContact CG1-CE1 3.79Å; V707-F717 HydrophobicContact CG1-CE2 4.04Å; V707-F717 HydrophobicContact CG1-CG 4.18Å; V707-F717 HydrophobicContact CG1-CZ 3.83Å; V707-F717 HydrophobicContact CG2-CD1 3.51Å; V707-F717 HydrophobicContact CG2-CE1 3.58Å; V707-F717 HydrophobicContact CG2-CG 4.33Å; V707-F717 HydrophobicContact CG2-CZ 4.44Å; C715-F717 HydrophobicContact CB-CE2 4.3Å; F717-H726 HydrophobicContact CB-CB 4.4Å; F717-H726 PolarHBondContact O-N 2.78Å; F717-T727 HydrophobicContact CB-CG2 3.87Å; F717-T727 HydrophobicContact CD2-CG2 3.79Å; F717-T727 HydrophobicContact CG-CG2 3.86Å; F717-T727 PolarHBondContact N-O 3.01Å; F717-T727 PolarHBondContact O-N 2.79Å; F717-I729 HydrophobicContact CE2-CB 4.45Å; F717-I729 HydrophobicContact CE2-CD1 3.77Å; F717-I729 HydrophobicContact CE2-CG1 3.84Å; F717-I729 HydrophobicContact CZ-CD1 3.81Å; F717-I729 HydrophobicContact CZ-CG1 4.39Å; F717-I756 HydrophobicContact CE1-CD1 4.31Å; F717-I756 HydrophobicContact CZ-CD1 3.69Å; F717-L770 HydrophobicContact CE1-CD1 4.45Å; F717-L770 HydrophobicContact CE1-CD2 3.51Å; F717-L770 HydrophobicContact CZ-CD2 3.6Å
718	Y	97.4	Very high	95.1	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.4	176.1	-62.4	-100.8	0	0	0	109.1	L671 N685 E686 Y705 A706 I708 I716 T720 L723 K724	L671-Y718 HydrophobicContact CD2-CD2 3.66Å; L671-Y718 HydrophobicContact CD2-CE2 4.06Å; L671-Y718 HydrophobicContact CD2-CG 4.09Å; N685-Y718 HydrophobicContact CB-CD1 4.25Å; N685-Y718 HydrophobicContact CB-CE1 3.95Å; N685-Y718 WeakPolarHBondContact ND2-CE1 3.48Å; E686-Y718 PolarHBondContact O-OH 3.19Å; Y705-Y718 CarbonylContact C-O 3.55Å; Y705-Y718 VanDerWaalsContact CA-O 3.27Å; Y705-Y718 WeakPolarHBondContact CA-O 3.2Å; A706-Y718 PolarHBondContact N-O 3.17Å; A706-Y718 PolarHBondContact O-N 2.77Å; I708-Y718 HydrophobicContact CD1-CE2 3.73Å; I708-Y718 HydrophobicContact CG1-CD2 4.48Å; I708-Y718 HydrophobicContact CG1-CE2 3.89Å; I716-Y718 HydrophobicContact CB-CE2 3.98Å; I716-Y718 HydrophobicContact CG2-CD2 4.18Å; I716-Y718 HydrophobicContact CG2-CE2 3.46Å; I716-Y718 VanDerWaalsContact CG2-CE2 3.46Å; Y718-T720 PolarHBondContact O-N 2.94Å; Y718-L723 WeakPolarHBondContact CD1-O 3.48Å; Y718-K724 CarbonylContact C-O 3.57Å; Y718-K724 WeakPolarHBondContact CA-O 3.31Å
719	D	96.2	Very high	95	Very high	48 Å²	48	46.1 Å²	46.1	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.4	170.3	176.1	13.9	0	0	0	109.8	Y705 E721 R722 L723 K724	Y705-D719 HydrophobicContact CD1-CB 4.45Å; Y705-D719 HydrophobicContact CE1-CB 4.39Å; D719-E721 VanDerWaalsContact C-N 3.34Å; D719-E721 PolarHBondContact O-N 2.96Å; D719-R722 PolarHBondContact O-N 2.91Å; D719-L723 CarbonylContact O-C 3.53Å; D719-L723 WeakPolarHBondContact O-CA 3.41Å; D719-L723 PolarHBondContact O-N 3.44Å; D719-K724 PolarHBondContact N-O 2.97Å; D719-K724 PolarHBondContact O-N 2.66Å
720	T	94.3	Very high	94.9	Very high	15 Å²	15	50.3 Å²	50.3	9%	0.092	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.9	-36.9	-169.1	-61.6	0	0	0	0	112.6	L673 F699 G703 K704 A706 Y718 R722 L723	L673-T720 HydrophobicContact CD2-CG2 4.44Å; F699-T720 HydrophobicContact CE1-CG2 3.82Å; G703-T720 VanDerWaalsContact O-CB 3.28Å; G703-T720 WeakPolarHBondContact O-CB 3.06Å; G703-T720 PolarHBondContact O-OG1 3.29Å; K704-T720 PolarHBondContact O-N 2.93Å; K704-T720 VanDerWaalsContact O-N 3.1Å; K704-T720 PolarHBondContact O-OG1 2.64Å; A706-T720 PolarHBondContact N-OG1 3.21Å; Y718-T720 PolarHBondContact O-N 2.94Å; T720-R722 PolarHBondContact O-N 2.94Å; T720-R722 VanDerWaalsContact O-N 3.09Å; T720-L723 PolarHBondContact O-N 3.45Å
721	E	91.4	Very high	94.8	Very high	153 Å²	153	50.3 Å²	50.3	72%	0.715	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-58.4	-28.3	-175.5	-67.8	-175	-169.5	0	0	113.9	D719	D719-E721 VanDerWaalsContact C-N 3.34Å; D719-E721 PolarHBondContact O-N 2.96Å
722	R	92.3	Very high	94.8	Very high	179 Å²	179	55 Å²	55	68%	0.675	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-136.3	9.2	-174.1	-58.6	-176.1	-176.6	-82.9	-6.3	112.8	D719 T720 K724	D719-R722 PolarHBondContact O-N 2.91Å; T720-R722 PolarHBondContact O-N 2.94Å; T720-R722 VanDerWaalsContact O-N 3.09Å; R722-K724 HydrophobicContact CB-CB 4.3Å; R722-K724 PolarHBondContact O-N 3.29Å
723	L	95.4	Very high	94.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	39.4	41.1	-169.3	-154.1	63.7	0	0	0	113.2	L663 L671 L683 N685 A706 Y718 D719 T720	L663-L723 HydrophobicContact CD1-CD1 4.25Å; L671-L723 HydrophobicContact CB-CD2 4.5Å; L671-L723 HydrophobicContact CD2-CD1 3.83Å; L671-L723 HydrophobicContact CD2-CD2 4.45Å; L671-L723 HydrophobicContact CD2-CG 4.26Å; L671-L723 HydrophobicContact CG-CD1 4.24Å; L671-L723 HydrophobicContact CG-CD2 4.17Å; L683-L723 HydrophobicContact CB-CB 3.94Å; L683-L723 HydrophobicContact CB-CD2 4.28Å; L683-L723 HydrophobicContact CD1-CB 4.3Å; N685-L723 HydrophobicContact CB-CD2 4.31Å; N685-L723 HydrophobicContact CB-CG 4.29Å; N685-L723 PolarHBondContact ND2-O 2.7Å; A706-L723 HydrophobicContact CB-CD1 4.01Å; Y718-L723 WeakPolarHBondContact CD1-O 3.48Å; D719-L723 CarbonylContact O-C 3.53Å; D719-L723 WeakPolarHBondContact O-CA 3.41Å; D719-L723 PolarHBondContact O-N 3.44Å; T720-L723 PolarHBondContact O-N 3.45Å
724	K	94.8	Very high	94	Very high	139 Å²	139	61.3 Å²	61.3	60%	0.604	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.5	-170.8	-175.7	-177.9	177.6	-176.6	0	111	Y718 D719 R722 H726	Y718-K724 CarbonylContact C-O 3.57Å; Y718-K724 WeakPolarHBondContact CA-O 3.31Å; D719-K724 PolarHBondContact N-O 2.97Å; D719-K724 PolarHBondContact O-N 2.66Å; R722-K724 HydrophobicContact CB-CB 4.3Å; R722-K724 PolarHBondContact O-N 3.29Å; K724-H726 PolarHBondContact O-N 2.99Å
725	Y	95.9	Very high	93.2	Very high	114 Å²	114	69.8 Å²	69.8	45%	0.447	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	129.4	176.9	174.6	-83.1	0	0	0	111.8	I716 Q728	I716-Y725 HydrophobicContact CG2-CD2 3.68Å; I716-Y725 HydrophobicContact CG2-CE2 3.76Å; Y725-Q728 HydrophobicContact CE2-CB 4.33Å; Y725-Q728 PolarHBondContact OH-N 3.05Å
726	H	95.5	Very high	92.3	Very high	94 Å²	94	72.3 Å²	72.3	44%	0.435	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-55.4	178.5	-179.8	53.1	0	0	0	111.8	Y705 F717 K724	Y705-H726 HydrophobicContact CD1-CB 4.28Å; Y705-H726 AromaticContact CD1-CD2 3.83Å; Y705-H726 HydrophobicContact CE1-CB 4.1Å; Y705-H726 AromaticContact CE1-CD2 3.3Å; Y705-H726 WeakPolarHBondContact CE1-CD2 3.19Å; Y705-H726 AromaticContact CE1-CG 3.54Å; Y705-H726 AromaticContact CE1-NE2 3.7Å; Y705-H726 AromaticContact CZ-CD2 3.57Å; Y705-H726 AromaticContact CZ-NE2 3.5Å; Y705-H726 PolarHBondContact OH-NE2 3.13Å; F717-H726 HydrophobicContact CB-CB 4.4Å; F717-H726 PolarHBondContact O-N 2.78Å; K724-H726 PolarHBondContact O-N 2.99Å
727	T	96.3	Very high	91.3	Very high	34 Å²	34	82.9 Å²	82.9	21%	0.209	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	177.2	179.8	-167	0	0	0	0	112	F717 L773	F717-T727 HydrophobicContact CB-CG2 3.87Å; F717-T727 HydrophobicContact CD2-CG2 3.79Å; F717-T727 HydrophobicContact CG-CG2 3.86Å; F717-T727 PolarHBondContact N-O 3.01Å; F717-T727 PolarHBondContact O-N 2.79Å; T727-L773 HydrophobicContact CG2-CD1 4.04Å; T727-L773 HydrophobicContact CG2-CD2 4.24Å; T727-L773 WeakPolarHBondContact OG1-CD1 3.36Å
728	Q	95.5	Very high	90.4	Very high	65 Å²	65	83.6 Å²	83.6	30%	0.304	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	146.7	173.1	67.6	-178.2	-24.2	0	0	113.4	C715 I716 Y725	C715-Q728 CarbonylContact O-C 3.56Å; C715-Q728 WeakPolarHBondContact O-CA 3.27Å; C715-Q728 WeakPolarHBondContact O-CB 3.35Å; I716-Q728 HydrophobicContact CG1-CB 4.17Å; Y725-Q728 HydrophobicContact CE2-CB 4.33Å; Y725-Q728 PolarHBondContact OH-N 3.05Å
729	I	95.8	Very high	89.7	Confident	9 Å²	9	89.7 Å²	89.7	5%	0.046	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.1	172.1	-63.3	175.2	0	0	0	108.7	R714 C715 F717 V731 Y768 L773	R714-I729 WeakPolarHBondContact CA-O 3.36Å; C715-I729 HydrophobicContact CB-CB 4.35Å; C715-I729 PolarHBondContact N-O 3.33Å; C715-I729 PolarHBondContact O-N 3.17Å; F717-I729 HydrophobicContact CE2-CB 4.45Å; F717-I729 HydrophobicContact CE2-CD1 3.77Å; F717-I729 HydrophobicContact CE2-CG1 3.84Å; F717-I729 HydrophobicContact CZ-CD1 3.81Å; F717-I729 HydrophobicContact CZ-CG1 4.39Å; I729-V731 HydrophobicContact CG2-CG2 4.19Å; I729-Y768 HydrophobicContact CD1-CD1 4.08Å; I729-Y768 HydrophobicContact CD1-CG 4.11Å; I729-Y768 HydrophobicContact CG2-CD1 3.89Å; I729-Y768 HydrophobicContact CG2-CE1 3.45Å; I729-Y768 VanDerWaalsContact CG2-CE1 3.45Å; I729-Y768 HydrophobicContact CG2-CE2 4.16Å; I729-Y768 HydrophobicContact CG2-CG 4.42Å; I729-L773 HydrophobicContact CD1-CB 4.33Å; I729-L773 HydrophobicContact CD1-CD2 4.03Å; I729-L773 HydrophobicContact CG1-CB 4.17Å; I729-L773 HydrophobicContact CG1-CD2 4.17Å
730	H	94.4	Very high	89.1	Confident	88 Å²	88	91.9 Å²	91.9	41%	0.407	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.1	171.9	-73	82.1	0	0	0	110.4	R732	H730-R732 HydrophobicContact CB-CG 4.38Å; H730-R732 PolarHBondContact O-N 2.96Å; H730-R732 VanDerWaalsContact O-N 3.07Å
731	V	94.8	Very high	88.6	Confident	1 Å²	1	91.6 Å²	91.6	1%	0.006	43%	0.429	C	S	.	.			trans	-87.8	76.6	-172.1	-169.5	0	0	0	0	109.9	G713 C715 I729 I744 V758 Y768	G713-V731 WeakPolarHBondContact O-CA 3.46Å; G713-V731 WeakPolarHBondContact O-CB 3.4Å; G713-V731 PolarHBondContact O-N 3.5Å; C715-V731 HydrophobicContact CB-CG2 4.18Å; I729-V731 HydrophobicContact CG2-CG2 4.19Å; V731-I744 HydrophobicContact CB-CD1 3.73Å; V731-I744 HydrophobicContact CG1-CD1 3.83Å; V731-I744 HydrophobicContact CG2-CD1 3.96Å; V731-V758 HydrophobicContact CG1-CG1 3.9Å; V731-V758 HydrophobicContact CG2-CG1 4.18Å; V731-Y768 HydrophobicContact CG1-CE2 4.37Å; V731-Y768 HydrophobicContact CG2-CE2 4.43Å
732	R	91.9	Very high	88.6	Confident	121 Å²	121	89.8 Å²	89.8	46%	0.457	42%	0.415	S	S	.	.	S	Bend	trans	-148	168.7	-175.8	61.4	-164	-179.1	138	-16.1	112.2	H730 K739	H730-R732 HydrophobicContact CB-CG 4.38Å; H730-R732 PolarHBondContact O-N 2.96Å; H730-R732 VanDerWaalsContact O-N 3.07Å; R732-K739 WeakPolarHBondContact CD-O 3.5Å; R732-K739 PolarHBondContact NH1-O 3.41Å
733	S	84.7	Confident	88.7	Confident	42 Å²	42	81.5 Å²	81.5	29%	0.294	38%	0.384	S	S	.	.			trans	-77.2	145	166.6	-173.6	0	0	0	0	110	R735 N738 K739	S733-R735 WeakPolarHBondContact CB-O 3.33Å; S733-R735 PolarHBondContact O-N 2.91Å; S733-R735 PolarHBondContact OG-N 3.41Å; S733-R735 PolarHBondContact OG-O 2.85Å; S733-N738 WeakPolarHBondContact CA-O 3.49Å; S733-N738 VanDerWaalsContact CB-O 3.25Å; S733-N738 WeakPolarHBondContact CB-O 3.41Å; S733-N738 PolarHBondContact N-O 2.87Å; S733-K739 WeakPolarHBondContact O-CA 3.25Å
734	T	82.3	Confident	88.8	Confident	139 Å²	139	81.5 Å²	81.5	85%	0.853	38%	0.384	S	S	*	.	S	Bend	trans	-71.4	-17.9	173.4	54.2	0	0	0	0	113
735	R	77.6	Confident	88.8	Confident	206 Å²	206	74.9 Å²	74.9	78%	0.777	36%	0.355	S	S	*	.	S	Bend	trans	-150.2	162	-178.7	-59.1	-174.5	-174.6	174.3	2.4	112	S733	S733-R735 WeakPolarHBondContact CB-O 3.33Å; S733-R735 PolarHBondContact O-N 2.91Å; S733-R735 PolarHBondContact OG-N 3.41Å; S733-R735 PolarHBondContact OG-O 2.85Å
736	G	78.2	Confident	88.9	Confident	54 Å²	54	69.7 Å²	69.7	56%	0.557	34%	0.336	S	S	*	.	S	Bend	trans	84.1	-164.7	174.6	0	0	0	0	0	114.1	N738 K739	G736-N738 PolarHBondContact O-N 2.8Å; G736-K739 VanDerWaalsContact O-CB 3.29Å; G736-K739 WeakPolarHBondContact O-CB 3.4Å; G736-K739 WeakPolarHBondContact O-CG 3.25Å; G736-K739 PolarHBondContact O-N 3.08Å; G736-K739 VanDerWaalsContact O-N 3.14Å
737	R	74.7	Confident	89	Confident	226 Å²	226	65.7 Å²	65.7	85%	0.853	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-61.3	-29.8	-172.8	80.6	-169.5	-170.9	-172.1	4.5	113.7	K739	R737-K739 VanDerWaalsContact C-N 3.28Å; R737-K739 PolarHBondContact O-N 2.86Å
738	N	79.8	Confident	89	Confident	21 Å²	21	65.8 Å²	65.8	11%	0.112	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-89.4	30.2	177.4	-53.4	15.7	0	0	0	112.8	S733 G736 V740 D762 R764	S733-N738 WeakPolarHBondContact CA-O 3.49Å; S733-N738 VanDerWaalsContact CB-O 3.25Å; S733-N738 WeakPolarHBondContact CB-O 3.41Å; S733-N738 PolarHBondContact N-O 2.87Å; G736-N738 PolarHBondContact O-N 2.8Å; N738-V740 VanDerWaalsContact C-N 3.32Å; N738-V740 CarbonylContact C-O 3.53Å; N738-D762 HydrophobicContact CB-CB 4.33Å; N738-D762 WeakPolarHBondContact CB-OD2 3.41Å; N738-D762 WeakPolarHBondContact ND2-CB 3.37Å; N738-D762 VanDerWaalsContact ND2-CG 3.27Å; N738-D762 PolarHBondContact ND2-O 2.78Å; N738-D762 PolarHBondContact ND2-OD2 2.85Å; N738-R764 PolarHBondContact ND2-NE 2.79Å
739	K	82.1	Confident	89	Confident	135 Å²	135	64.2 Å²	64.2	59%	0.587	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-73.3	-23.7	177.9	67.5	177.5	-175.3	176.5	0	113.8	R732 S733 G736 R737	R732-K739 WeakPolarHBondContact CD-O 3.5Å; R732-K739 PolarHBondContact NH1-O 3.41Å; S733-K739 WeakPolarHBondContact O-CA 3.25Å; G736-K739 VanDerWaalsContact O-CB 3.29Å; G736-K739 WeakPolarHBondContact O-CB 3.4Å; G736-K739 WeakPolarHBondContact O-CG 3.25Å; G736-K739 PolarHBondContact O-N 3.08Å; G736-K739 VanDerWaalsContact O-N 3.14Å; R737-K739 VanDerWaalsContact C-N 3.28Å; R737-K739 PolarHBondContact O-N 2.86Å
740	V	83.6	Confident	88.8	Confident	93 Å²	93	64.6 Å²	64.6	56%	0.564	31%	0.314	S	S	*	.	S	Bend	trans	-87.4	143.1	167.8	-168.5	0	0	0	0	106.3	N738	N738-V740 VanDerWaalsContact C-N 3.32Å; N738-V740 CarbonylContact C-O 3.53Å
741	G	84.9	Confident	88.4	Confident	9 Å²	9	63.6 Å²	63.6	9%	0.093	32%	0.315	C	S	.	.			trans	-66.4	164.9	170.4	0	0	0	0	0	111.1	D712	D712-G741 VanDerWaalsContact O-CA 3.31Å; D712-G741 WeakPolarHBondContact O-CA 3.44Å
742	R	91	Very high	87.9	Confident	116 Å²	116	68 Å²	68	44%	0.438	36%	0.361	S	S	.	.			trans	-135.3	160.8	176.1	-69.8	-61	-163	171.6	6.5	108.8	E392 Y711 G713 I744 N761 D762	E392-R742 IonicContact OE2-NH1 3.78Å; E392-R742 PolarHBondContact OE2-NH1 3.35Å; Y711-R742 CarbonylContact O-C 3.55Å; G713-R742 WeakPolarHBondContact CA-O 3.25Å; G713-R742 PolarHBondContact N-O 3.5Å; R742-I744 PolarHBondContact O-N 2.8Å; R742-N761 HydrophobicContact CB-CB 4.06Å; R742-D762 HydrophobicContact CB-CB 4.19Å; R742-D762 HydrophobicContact CG-CB 3.99Å
743	K	93.7	Very high	87.7	Confident	5 Å²	5	66.5 Å²	66.5	2%	0.022	36%	0.359	C	S	.	.			trans	-41.5	125.6	-179.7	-178.1	-178.7	64.2	158.9	0	111.3	T383 I386 T695 Y711 S760 N761 S786 S787	T383-K743 PolarHBondContact OG1-NZ 3.26Å; I386-K743 HydrophobicContact CD1-CD 4.48Å; T695-K743 HydrophobicContact CG2-CD 4.23Å; T695-K743 HydrophobicContact CG2-CG 4.02Å; Y711-K743 HydrophobicContact CD2-CB 3.75Å; Y711-K743 HydrophobicContact CD2-CD 4.26Å; Y711-K743 HydrophobicContact CD2-CG 4.03Å; Y711-K743 HydrophobicContact CE2-CB 4.12Å; Y711-K743 WeakPolarHBondContact O-CA 3.46Å; Y711-K743 PolarHBondContact O-N 3.35Å; K743-S760 VanDerWaalsContact O-CA 3.27Å; K743-S760 WeakPolarHBondContact O-CA 3.08Å; K743-N761 HydrophobicContact CB-CB 4.21Å; K743-N761 VanDerWaalsContact CE-CG 3.44Å; K743-N761 VanDerWaalsContact CE-ND2 3.31Å; K743-N761 WeakPolarHBondContact CE-ND2 3.44Å; K743-N761 WeakPolarHBondContact CE-OD1 3.32Å; K743-N761 PolarHBondContact O-N 2.84Å; K743-N761 PolarHBondContact O-OD1 2.72Å; K743-S786 PolarHBondContact NZ-O 3.12Å; K743-S787 PolarHBondContact NZ-O 3.46Å
744	I	96.9	Very high	88	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.5	166.7	-51.7	-53.5	0	0	0	107.6	T695 A696 T710 V731 R742 I747 V758	T695-I744 CarbonylContact C-O 3.56Å; T695-I744 WeakPolarHBondContact CB-O 3.35Å; T695-I744 PolarHBondContact OG1-O 2.94Å; A696-I744 HydrophobicContact CB-CG2 3.97Å; T710-I744 PolarHBondContact O-N 2.79Å; V731-I744 HydrophobicContact CB-CD1 3.73Å; V731-I744 HydrophobicContact CG1-CD1 3.83Å; V731-I744 HydrophobicContact CG2-CD1 3.96Å; R742-I744 PolarHBondContact O-N 2.8Å; I744-I747 HydrophobicContact CG2-CD1 4.22Å; I744-I747 HydrophobicContact CG2-CG1 3.81Å; I744-V758 HydrophobicContact CD1-CG1 3.98Å; I744-V758 HydrophobicContact CG2-CG1 3.83Å
745	T	96.1	Very high	88.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-33.8	179.7	53	0	0	0	0	112.5	T759 N761 S787 Q788 I789 K790	T745-T759 PolarHBondContact N-O 2.81Å; T745-T759 WeakPolarHBondContact OG1-CB 3.22Å; T745-T759 VanDerWaalsContact OG1-CG2 3.3Å; T745-T759 WeakPolarHBondContact OG1-CG2 3.4Å; T745-T759 PolarHBondContact OG1-O 3.28Å; T745-N761 WeakPolarHBondContact CG2-OD1 3.46Å; T745-S787 WeakPolarHBondContact CG2-O 3.26Å; T745-Q788 PolarHBondContact O-NE2 3.23Å; T745-I789 WeakPolarHBondContact CB-O 3.24Å; T745-I789 PolarHBondContact OG1-O 2.84Å; T745-K790 VanDerWaalsContact O-CE 3.25Å; T745-K790 WeakPolarHBondContact O-CE 3.29Å; T745-K790 WeakPolarHBondContact O-CG 3.41Å
746	G	96.6	Very high	89.5	Confident	5 Å²	5	53.3 Å²	53.3	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.7	-176.9	0	0	0	0	0	112.1	T759	G746-T759 PolarHBondContact O-N 3.01Å
747	I	98	Very high	90.5	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.8	169.7	-61.1	175.6	0	0	0	106	A696 N698 V707 I708 I744 I756 L757	A696-I747 HydrophobicContact CB-CD1 4.31Å; A696-I747 HydrophobicContact CB-CG1 4.12Å; N698-I747 HydrophobicContact CB-CB 4.46Å; N698-I747 HydrophobicContact CB-CG2 4.41Å; N698-I747 WeakPolarHBondContact CB-O 3.47Å; N698-I747 PolarHBondContact ND2-O 3.36Å; V707-I747 HydrophobicContact CG1-CD1 4.08Å; V707-I747 HydrophobicContact CG1-CG2 4.48Å; I708-I747 VanDerWaalsContact C-CD1 3.46Å; I744-I747 HydrophobicContact CG2-CD1 4.22Å; I744-I747 HydrophobicContact CG2-CG1 3.81Å; I747-I756 HydrophobicContact CG2-CD1 4.37Å; I747-L757 WeakPolarHBondContact CA-O 3.26Å
748	E	96.6	Very high	91.6	Very high	36 Å²	36	40 Å²	40	17%	0.168	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.8	177.4	-164.2	158.8	102.3	0	0	109.4	K516 L757 S792 F793	K516-E748 IonicContact NZ-OE2 3.98Å; K516-E748 PolarHBondContact NZ-OE2 2.94Å; E748-L757 HydrophobicContact CB-CB 4.4Å; E748-L757 PolarHBondContact N-O 2.98Å; E748-L757 PolarHBondContact O-N 2.8Å; E748-S792 WeakPolarHBondContact OE1-CA 3.34Å; E748-S792 WeakPolarHBondContact OE1-CB 3.38Å; E748-F793 HydrophobicContact CG-CD2 4.34Å; E748-F793 PolarHBondContact OE1-N 2.98Å
749	P	95.1	Very high	92.4	Very high	32 Å²	32	39.1 Å²	39.1	21%	0.208	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.3	173.9	32.8	-37.1	0	0	0	109.7	N698 F699 C700 P751	N698-P749 VanDerWaalsContact ND2-CD 3.27Å; N698-P749 WeakPolarHBondContact ND2-CD 3.26Å; F699-P749 VanDerWaalsContact O-CG 3.32Å; F699-P749 WeakPolarHBondContact O-CG 3.47Å; C700-P749 HydrophobicContact CB-CB 4.19Å; P749-P751 WeakPolarHBondContact O-CD 2.97Å
750	L	92.3	Very high	93.1	Very high	16 Å²	16	32.7 Å²	32.7	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.4	167.9	-178.5	56.1	0	0	0	108.2	E753 K755 F793 Y797	L750-E753 HydrophobicContact CB-CB 4.45Å; L750-E753 HydrophobicContact CD2-CB 4.01Å; L750-E753 HydrophobicContact CD2-CG 4.11Å; L750-E753 WeakPolarHBondContact CD2-OE2 3.15Å; L750-E753 HydrophobicContact CG-CB 4.07Å; L750-E753 HydrophobicContact CG-CG 4.39Å; L750-E753 PolarHBondContact O-N 2.94Å; L750-E753 VanDerWaalsContact O-O 3.08Å; L750-K755 HydrophobicContact CB-CB 4.16Å; L750-K755 HydrophobicContact CD2-CB 4.25Å; L750-K755 HydrophobicContact CD2-CD 4.23Å; L750-K755 PolarHBondContact N-O 2.97Å; L750-F793 HydrophobicContact CB-CE2 4.08Å; L750-F793 HydrophobicContact CB-CZ 4.06Å; L750-F793 HydrophobicContact CD1-CD1 4.28Å; L750-F793 HydrophobicContact CD1-CD2 4.32Å; L750-F793 HydrophobicContact CD1-CE1 4.07Å; L750-F793 HydrophobicContact CD1-CE2 4.1Å; L750-F793 HydrophobicContact CD1-CG 4.39Å; L750-F793 HydrophobicContact CD1-CZ 3.97Å; L750-F793 HydrophobicContact CD2-CZ 4.47Å; L750-F793 HydrophobicContact CG-CZ 4.4Å; L750-Y797 HydrophobicContact CD1-CD1 3.59Å; L750-Y797 HydrophobicContact CD1-CD2 4.11Å; L750-Y797 HydrophobicContact CD1-CE1 4.35Å; L750-Y797 HydrophobicContact CD1-CG 3.45Å; L750-Y797 VanDerWaalsContact CD1-CG 3.45Å
751	P	86.1	Confident	93.5	Very high	67 Å²	67	29.1 Å²	29.1	44%	0.435	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	148.6	-180	-24.6	37.3	0	0	0	112.2	P749 E753 Y797	P749-P751 WeakPolarHBondContact O-CD 2.97Å; P751-E753 PolarHBondContact O-N 3.14Å; P751-Y797 HydrophobicContact CB-CE1 4.48Å; P751-Y797 VanDerWaalsContact CD-CE1 3.46Å; P751-Y797 HydrophobicContact CG-CE1 3.8Å; P751-Y797 WeakPolarHBondContact CG-OH 3.08Å
752	G	83.4	Confident	93.8	Very high	94 Å²	94	29.2 Å²	29.2	97%	0.969	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	-33.4	-176.2	0	0	0	0	0	115
753	E	88	Confident	93.9	Very high	90 Å²	90	25 Å²	25	42%	0.421	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	158.4	-179.4	-68.6	-158.1	164.8	0	0	114.7	L750 P751 K755	L750-E753 HydrophobicContact CB-CB 4.45Å; L750-E753 HydrophobicContact CD2-CB 4.01Å; L750-E753 HydrophobicContact CD2-CG 4.11Å; L750-E753 WeakPolarHBondContact CD2-OE2 3.15Å; L750-E753 HydrophobicContact CG-CB 4.07Å; L750-E753 HydrophobicContact CG-CG 4.39Å; L750-E753 PolarHBondContact O-N 2.94Å; L750-E753 VanDerWaalsContact O-O 3.08Å; P751-E753 PolarHBondContact O-N 3.14Å; E753-K755 HydrophobicContact CB-CG 4.42Å; E753-K755 PolarHBondContact O-N 2.55Å; E753-K755 VanDerWaalsContact O-N 3.13Å; E753-K755 IonicContact OE1-NZ 2.78Å; E753-K755 PolarHBondContact OE1-NZ 3.45Å; E753-K755 WeakPolarHBondContact OE2-CD 3.45Å; E753-K755 WeakPolarHBondContact OE2-CE 3.27Å; E753-K755 WeakPolarHBondContact OE2-CG 3.32Å; E753-K755 IonicContact OE2-NZ 2.94Å; E753-K755 PolarHBondContact OE2-NZ 2.84Å
754	N	92.1	Very high	93.9	Very high	68 Å²	68	27.7 Å²	27.7	36%	0.364	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	55.7	168.5	-75.2	-48.2	0	0	0	111.1	Q701 L770 R771	Q701-N754 VanDerWaalsContact CD-OD1 3.32Å; Q701-N754 WeakPolarHBondContact CG-OD1 3.44Å; Q701-N754 PolarHBondContact NE2-OD1 2.92Å; N754-L770 HydrophobicContact CB-CB 4.32Å; N754-L770 WeakPolarHBondContact O-CB 3.2Å; N754-L770 PolarHBondContact O-N 2.97Å; N754-R771 HydrophobicContact CB-CG 3.92Å
755	K	94.4	Very high	93.9	Very high	42 Å²	42	27.7 Å²	27.7	18%	0.183	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.1	176.8	-60.3	-172.7	-168.9	136.1	0	112.6	L750 E753 L767 Y768	L750-K755 HydrophobicContact CB-CB 4.16Å; L750-K755 HydrophobicContact CD2-CB 4.25Å; L750-K755 HydrophobicContact CD2-CD 4.23Å; L750-K755 PolarHBondContact N-O 2.97Å; E753-K755 HydrophobicContact CB-CG 4.42Å; E753-K755 PolarHBondContact O-N 2.55Å; E753-K755 VanDerWaalsContact O-N 3.13Å; E753-K755 IonicContact OE1-NZ 2.78Å; E753-K755 PolarHBondContact OE1-NZ 3.45Å; E753-K755 WeakPolarHBondContact OE2-CD 3.45Å; E753-K755 WeakPolarHBondContact OE2-CE 3.27Å; E753-K755 WeakPolarHBondContact OE2-CG 3.32Å; E753-K755 IonicContact OE2-NZ 2.94Å; E753-K755 PolarHBondContact OE2-NZ 2.84Å; K755-L767 HydrophobicContact CB-CD1 3.97Å; K755-L767 HydrophobicContact CD-CD1 4.21Å; K755-L767 HydrophobicContact CD-CD2 3.96Å; K755-L767 HydrophobicContact CD-CG 4.08Å; K755-Y768 CarbonylContact C-O 3.51Å; K755-Y768 WeakPolarHBondContact CA-O 3.16Å; K755-Y768 WeakPolarHBondContact CB-O 3.44Å
756	I	96.9	Very high	93.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.7	168.5	62.3	170.2	0	0	0	111.6	C700 F717 I747 V758 L767 Y768 L770	C700-I756 HydrophobicContact CB-CG2 4.01Å; F717-I756 HydrophobicContact CE1-CD1 4.31Å; F717-I756 HydrophobicContact CZ-CD1 3.69Å; I747-I756 HydrophobicContact CG2-CD1 4.37Å; I756-V758 HydrophobicContact CD1-CG2 3.73Å; I756-V758 HydrophobicContact CG1-CG2 3.98Å; I756-L767 WeakPolarHBondContact O-CA 3.18Å; I756-Y768 PolarHBondContact N-O 3.47Å; I756-Y768 PolarHBondContact O-N 3.46Å; I756-L770 HydrophobicContact CD1-CD2 4.16Å; I756-L770 HydrophobicContact CG1-CD2 3.95Å; I756-L770 HydrophobicContact CG2-CD1 4.03Å; I756-L770 HydrophobicContact CG2-CD2 4.13Å; I756-L770 HydrophobicContact CG2-CG 4.31Å
757	L	97.6	Very high	93.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.9	167.6	-163	71.7	0	0	0	108.9	I747 E748 I765 R766 L767 Y779 A791 F793 I800	I747-L757 WeakPolarHBondContact CA-O 3.26Å; E748-L757 HydrophobicContact CB-CB 4.4Å; E748-L757 PolarHBondContact N-O 2.98Å; E748-L757 PolarHBondContact O-N 2.8Å; L757-I765 HydrophobicContact CD1-CG2 3.47Å; L757-I765 VanDerWaalsContact CD1-CG2 3.47Å; L757-I765 HydrophobicContact CD2-CG2 4.03Å; L757-I765 HydrophobicContact CG-CG2 3.55Å; L757-R766 CarbonylContact C-O 3.57Å; L757-R766 WeakPolarHBondContact CA-O 3.32Å; L757-L767 HydrophobicContact CD1-CB 4.36Å; L757-L767 HydrophobicContact CD1-CD1 4.26Å; L757-Y779 HydrophobicContact CD1-CE2 4.32Å; L757-A791 HydrophobicContact CD2-CB 4.2Å; L757-F793 HydrophobicContact CB-CE2 3.73Å; L757-F793 HydrophobicContact CB-CZ 3.78Å; L757-F793 HydrophobicContact CD1-CE1 4.5Å; L757-F793 HydrophobicContact CD1-CZ 4.16Å; L757-F793 HydrophobicContact CD2-CD2 4.41Å; L757-F793 HydrophobicContact CD2-CE1 4.48Å; L757-F793 HydrophobicContact CD2-CE2 4.09Å; L757-F793 HydrophobicContact CD2-CZ 4.13Å; L757-F793 HydrophobicContact CG-CE2 4.42Å; L757-F793 HydrophobicContact CG-CZ 4.25Å; L757-I800 HydrophobicContact CD1-CD1 3.67Å; L757-I800 HydrophobicContact CD1-CG1 4.34Å; L757-I800 HydrophobicContact CD2-CD1 4.36Å; L757-I800 HydrophobicContact CD2-CG1 4.12Å; L757-I800 HydrophobicContact CD2-CG2 3.93Å
758	V	98.1	Very high	93.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.8	-178.6	-174.1	0	0	0	0	110	V731 I744 I756 I765 R766 Y768	V731-V758 HydrophobicContact CG1-CG1 3.9Å; V731-V758 HydrophobicContact CG2-CG1 4.18Å; I744-V758 HydrophobicContact CD1-CG1 3.98Å; I744-V758 HydrophobicContact CG2-CG1 3.83Å; I756-V758 HydrophobicContact CD1-CG2 3.73Å; I756-V758 HydrophobicContact CG1-CG2 3.98Å; V758-I765 CarbonylContact O-C 3.49Å; V758-I765 WeakPolarHBondContact O-CA 3.17Å; V758-R766 PolarHBondContact N-O 3.3Å; V758-R766 PolarHBondContact O-N 2.87Å; V758-Y768 HydrophobicContact CB-CD2 4.5Å; V758-Y768 HydrophobicContact CB-CE2 4.47Å; V758-Y768 HydrophobicContact CG2-CD2 4Å; V758-Y768 HydrophobicContact CG2-CE2 4.34Å
759	T	97.7	Very high	93.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.6	178.4	-49.1	0	0	0	0	109.9	T745 G746 I765 Y782 I789 A791	T745-T759 PolarHBondContact N-O 2.81Å; T745-T759 WeakPolarHBondContact OG1-CB 3.22Å; T745-T759 VanDerWaalsContact OG1-CG2 3.3Å; T745-T759 WeakPolarHBondContact OG1-CG2 3.4Å; T745-T759 PolarHBondContact OG1-O 3.28Å; G746-T759 PolarHBondContact O-N 3.01Å; T759-I765 HydrophobicContact CG2-CG1 4.13Å; T759-Y782 HydrophobicContact CG2-CE2 4.48Å; T759-I789 WeakPolarHBondContact CG2-O 3.12Å; T759-A791 HydrophobicContact CG2-CB 4.42Å; T759-A791 WeakPolarHBondContact OG1-CB 3.37Å; T759-A791 PolarHBondContact OG1-N 2.76Å; T759-A791 VanDerWaalsContact OG1-N 3.14Å
760	S	95.6	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	152.2	-174.2	57.5	0	0	0	0	114.1	K743 D762 S763 R764 R766	K743-S760 VanDerWaalsContact O-CA 3.27Å; K743-S760 WeakPolarHBondContact O-CA 3.08Å; S760-D762 PolarHBondContact O-N 3.19Å; S760-D762 PolarHBondContact OG-OD1 2.94Å; S760-D762 VanDerWaalsContact OG-OD1 3.1Å; S760-S763 PolarHBondContact O-N 3.15Å; S760-R764 PolarHBondContact N-O 2.95Å; S760-R764 PolarHBondContact OG-O 2.9Å; S760-R766 PolarHBondContact OG-NH1 3.09Å
761	N	93.2	Very high	93.6	Very high	18 Å²	18	34.9 Å²	34.9	10%	0.096	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	11.7	178	-74.1	62.5	0	0	0	115.4	R742 K743 T745 S763 N784 S785 S786	R742-N761 HydrophobicContact CB-CB 4.06Å; K743-N761 HydrophobicContact CB-CB 4.21Å; K743-N761 VanDerWaalsContact CE-CG 3.44Å; K743-N761 VanDerWaalsContact CE-ND2 3.31Å; K743-N761 WeakPolarHBondContact CE-ND2 3.44Å; K743-N761 WeakPolarHBondContact CE-OD1 3.32Å; K743-N761 PolarHBondContact O-N 2.84Å; K743-N761 PolarHBondContact O-OD1 2.72Å; T745-N761 WeakPolarHBondContact CG2-OD1 3.46Å; N761-S763 VanDerWaalsContact C-N 3.28Å; N761-N784 CarbonylContact C-O 3.58Å; N761-S785 WeakPolarHBondContact CB-O 3.2Å; N761-S785 PolarHBondContact ND2-O 3.33Å; N761-S786 WeakPolarHBondContact ND2-CA 3.23Å; N761-S786 PolarHBondContact ND2-N 3.36Å; N761-S786 PolarHBondContact ND2-O 3.43Å
762	D	91.1	Very high	93.9	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	17.6	166.9	98.6	-42.9	0	0	0	112.2	N738 R742 S760 R764 R766	N738-D762 HydrophobicContact CB-CB 4.33Å; N738-D762 WeakPolarHBondContact CB-OD2 3.41Å; N738-D762 WeakPolarHBondContact ND2-CB 3.37Å; N738-D762 VanDerWaalsContact ND2-CG 3.27Å; N738-D762 PolarHBondContact ND2-O 2.78Å; N738-D762 PolarHBondContact ND2-OD2 2.85Å; R742-D762 HydrophobicContact CB-CB 4.19Å; R742-D762 HydrophobicContact CG-CB 3.99Å; S760-D762 PolarHBondContact O-N 3.19Å; S760-D762 PolarHBondContact OG-OD1 2.94Å; S760-D762 VanDerWaalsContact OG-OD1 3.1Å; D762-R764 VanDerWaalsContact C-N 3.34Å; D762-R764 WeakPolarHBondContact O-CD 3.45Å; D762-R764 PolarHBondContact O-N 3.48Å; D762-R764 PolarHBondContact O-NH1 3.21Å; D762-R764 WeakPolarHBondContact OD1-CD 3.49Å; D762-R764 VanDerWaalsContact OD2-CD 3.22Å; D762-R764 WeakPolarHBondContact OD2-CD 3.21Å; D762-R764 IonicContact OD2-NE 2.83Å; D762-R766 IonicContact OD1-CZ 2.79Å; D762-R766 VanDerWaalsContact OD1-CZ 3.3Å; D762-R766 IonicContact OD1-NH1 2.91Å; D762-R766 PolarHBondContact OD1-NH1 3.06Å; D762-R766 IonicContact OD1-NH2 2.7Å; D762-R766 PolarHBondContact OD1-NH2 2.86Å; D762-R766 IonicContact OD2-CZ 2.87Å; D762-R766 IonicContact OD2-NH1 2.66Å; D762-R766 IonicContact OD2-NH2 2.78Å; D762-R766 PolarHBondContact OD2-NH2 3.23Å
763	S	93.3	Very high	94.4	Very high	28 Å²	28	35.1 Å²	35.1	20%	0.196	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	49	-178.6	-34.6	0	0	0	0	112.6	S760 N761 N784	S760-S763 PolarHBondContact O-N 3.15Å; N761-S763 VanDerWaalsContact C-N 3.28Å; S763-N784 WeakPolarHBondContact CA-O 3.41Å; S763-N784 PolarHBondContact N-O 2.77Å; S763-N784 VanDerWaalsContact N-O 3.17Å; S763-N784 PolarHBondContact OG-N 2.95Å; S763-N784 PolarHBondContact OG-O 3.5Å
764	R	93.2	Very high	94.6	Very high	62 Å²	62	32.9 Å²	32.9	23%	0.234	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	141	172.6	-72.7	127.2	-178.7	72.8	2.1	109.7	N738 S760 D762 K778 K780 Y782	N738-R764 PolarHBondContact ND2-NE 2.79Å; S760-R764 PolarHBondContact N-O 2.95Å; S760-R764 PolarHBondContact OG-O 2.9Å; D762-R764 VanDerWaalsContact C-N 3.34Å; D762-R764 WeakPolarHBondContact O-CD 3.45Å; D762-R764 PolarHBondContact O-N 3.48Å; D762-R764 PolarHBondContact O-NH1 3.21Å; D762-R764 WeakPolarHBondContact OD1-CD 3.49Å; D762-R764 VanDerWaalsContact OD2-CD 3.22Å; D762-R764 WeakPolarHBondContact OD2-CD 3.21Å; D762-R764 IonicContact OD2-NE 2.83Å; R764-K778 HydrophobicContact CB-CG 4.5Å; R764-K778 HydrophobicContact CG-CG 4.35Å; R764-K780 HydrophobicContact CG-CG 4.39Å; R764-Y782 PolarHBondContact N-OH 2.93Å; R764-Y782 PolarHBondContact O-OH 3.12Å
765	I	96.4	Very high	94.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	142	164.2	-53.7	150	0	0	0	107.5	L757 V758 T759 K778 Y779 Y782 A791 I800 W812	L757-I765 HydrophobicContact CD1-CG2 3.47Å; L757-I765 VanDerWaalsContact CD1-CG2 3.47Å; L757-I765 HydrophobicContact CD2-CG2 4.03Å; L757-I765 HydrophobicContact CG-CG2 3.55Å; V758-I765 CarbonylContact O-C 3.49Å; V758-I765 WeakPolarHBondContact O-CA 3.17Å; T759-I765 HydrophobicContact CG2-CG1 4.13Å; I765-K778 CarbonylContact O-C 3.58Å; I765-K778 WeakPolarHBondContact O-CA 3.4Å; I765-Y779 HydrophobicContact CB-CD2 4.35Å; I765-Y779 HydrophobicContact CG2-CD2 4.36Å; I765-Y779 PolarHBondContact N-O 2.78Å; I765-Y779 PolarHBondContact O-N 3.16Å; I765-Y782 HydrophobicContact CD1-CD1 4.44Å; I765-Y782 HydrophobicContact CD1-CE1 4.05Å; I765-Y782 HydrophobicContact CG1-CE1 3.9Å; I765-A791 HydrophobicContact CD1-CB 3.5Å; I765-A791 VanDerWaalsContact CD1-CB 3.5Å; I765-A791 HydrophobicContact CG1-CB 3.79Å; I765-A791 HydrophobicContact CG2-CB 4.14Å; I765-I800 HydrophobicContact CD1-CG2 4.4Å; I765-W812 HydrophobicContact CD1-CE3 4.15Å; I765-W812 HydrophobicContact CD1-CH2 3.47Å; I765-W812 VanDerWaalsContact CD1-CH2 3.47Å; I765-W812 HydrophobicContact CD1-CZ2 4.22Å; I765-W812 HydrophobicContact CD1-CZ3 3.44Å; I765-W812 VanDerWaalsContact CD1-CZ3 3.44Å
766	R	95.9	Very high	94.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.4	-175	-71.2	173.2	-177.3	76.8	-3.5	110.7	L757 V758 S760 D762 Y768 L775 M777 K778	L757-R766 CarbonylContact C-O 3.57Å; L757-R766 WeakPolarHBondContact CA-O 3.32Å; V758-R766 PolarHBondContact N-O 3.3Å; V758-R766 PolarHBondContact O-N 2.87Å; S760-R766 PolarHBondContact OG-NH1 3.09Å; D762-R766 IonicContact OD1-CZ 2.79Å; D762-R766 VanDerWaalsContact OD1-CZ 3.3Å; D762-R766 IonicContact OD1-NH1 2.91Å; D762-R766 PolarHBondContact OD1-NH1 3.06Å; D762-R766 IonicContact OD1-NH2 2.7Å; D762-R766 PolarHBondContact OD1-NH2 2.86Å; D762-R766 IonicContact OD2-CZ 2.87Å; D762-R766 IonicContact OD2-NH1 2.66Å; D762-R766 IonicContact OD2-NH2 2.78Å; D762-R766 PolarHBondContact OD2-NH2 3.23Å; R766-Y768 HydrophobicContact CB-CD2 4.07Å; R766-Y768 HydrophobicContact CB-CE2 3.58Å; R766-Y768 WeakPolarHBondContact CD-OH 3.4Å; R766-Y768 HydrophobicContact CG-CE2 4.36Å; R766-L775 HydrophobicContact CB-CD1 3.63Å; R766-L775 HydrophobicContact CG-CD1 3.87Å; R766-M777 WeakPolarHBondContact CA-O 3.37Å; R766-K778 HydrophobicContact CG-CG 4.27Å
767	L	95.8	Very high	94.1	Very high	11 Å²	11	33 Å²	33	6%	0.058	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.9	171.4	-174.3	66.6	0	0	0	108.7	K755 I756 L757 S776 M777 Y779 F793	K755-L767 HydrophobicContact CB-CD1 3.97Å; K755-L767 HydrophobicContact CD-CD1 4.21Å; K755-L767 HydrophobicContact CD-CD2 3.96Å; K755-L767 HydrophobicContact CD-CG 4.08Å; I756-L767 WeakPolarHBondContact O-CA 3.18Å; L757-L767 HydrophobicContact CD1-CB 4.36Å; L757-L767 HydrophobicContact CD1-CD1 4.26Å; L767-S776 WeakPolarHBondContact O-CB 3.48Å; L767-S776 PolarHBondContact O-N 2.66Å; L767-M777 HydrophobicContact CB-CB 4.1Å; L767-M777 HydrophobicContact CD2-CB 4.45Å; L767-M777 PolarHBondContact N-O 2.66Å; L767-M777 PolarHBondContact O-N 2.85Å; L767-Y779 HydrophobicContact CB-CE2 4.3Å; L767-F793 HydrophobicContact CD1-CZ 4.07Å
768	Y	95.8	Very high	93.9	Very high	13 Å²	13	34 Å²	34	5%	0.051	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.6	176.6	-73	-89	0	0	0	110.9	I729 V731 K755 I756 V758 R766 S774 L775	I729-Y768 HydrophobicContact CD1-CD1 4.08Å; I729-Y768 HydrophobicContact CD1-CG 4.11Å; I729-Y768 HydrophobicContact CG2-CD1 3.89Å; I729-Y768 HydrophobicContact CG2-CE1 3.45Å; I729-Y768 VanDerWaalsContact CG2-CE1 3.45Å; I729-Y768 HydrophobicContact CG2-CE2 4.16Å; I729-Y768 HydrophobicContact CG2-CG 4.42Å; V731-Y768 HydrophobicContact CG1-CE2 4.37Å; V731-Y768 HydrophobicContact CG2-CE2 4.43Å; K755-Y768 CarbonylContact C-O 3.51Å; K755-Y768 WeakPolarHBondContact CA-O 3.16Å; K755-Y768 WeakPolarHBondContact CB-O 3.44Å; I756-Y768 PolarHBondContact N-O 3.47Å; I756-Y768 PolarHBondContact O-N 3.46Å; V758-Y768 HydrophobicContact CB-CD2 4.5Å; V758-Y768 HydrophobicContact CB-CE2 4.47Å; V758-Y768 HydrophobicContact CG2-CD2 4Å; V758-Y768 HydrophobicContact CG2-CE2 4.34Å; R766-Y768 HydrophobicContact CB-CD2 4.07Å; R766-Y768 HydrophobicContact CB-CE2 3.58Å; R766-Y768 WeakPolarHBondContact CD-OH 3.4Å; R766-Y768 HydrophobicContact CG-CE2 4.36Å; Y768-S774 CarbonylContact C-O 3.58Å; Y768-S774 VanDerWaalsContact CA-O 3.27Å; Y768-S774 WeakPolarHBondContact CA-O 3.21Å; Y768-S774 WeakPolarHBondContact CD1-O 3.29Å; Y768-L775 HydrophobicContact CD1-CB 4.28Å; Y768-L775 HydrophobicContact CD1-CD1 4.22Å; Y768-L775 HydrophobicContact CD2-CD1 4.3Å; Y768-L775 HydrophobicContact CE1-CB 4.04Å; Y768-L775 HydrophobicContact CE1-CD1 3.95Å; Y768-L775 HydrophobicContact CE2-CD1 4.05Å; Y768-L775 HydrophobicContact CG-CD1 4.4Å
769	D	94.1	Very high	93.6	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.7	167	-163.7	-51	0	0	0	109.1	R771 L773 S774	D769-R771 VanDerWaalsContact C-N 3.33Å; D769-R771 WeakPolarHBondContact OD1-CB 3.3Å; D769-R771 VanDerWaalsContact OD1-CG 3.26Å; D769-R771 WeakPolarHBondContact OD1-CG 3.45Å; D769-R771 IonicContact OD1-CZ 2.75Å; D769-R771 PolarHBondContact OD1-N 3.24Å; D769-R771 IonicContact OD1-NE 3.79Å; D769-R771 PolarHBondContact OD1-NE 3.03Å; D769-R771 IonicContact OD1-NH2 3.75Å; D769-R771 IonicContact OD2-CZ 2.7Å; D769-R771 IonicContact OD2-NE 3.57Å; D769-R771 PolarHBondContact OD2-NE 3.4Å; D769-R771 IonicContact OD2-NH2 3.21Å; D769-R771 PolarHBondContact OD2-NH2 2.9Å; D769-L773 CarbonylContact O-C 3.58Å; D769-L773 WeakPolarHBondContact O-CA 3.44Å; D769-L773 PolarHBondContact O-N 3.36Å; D769-S774 PolarHBondContact N-O 3.36Å; D769-S774 PolarHBondContact O-N 2.96Å
770	L	94.4	Very high	93.3	Very high	19 Å²	19	36.5 Å²	36.5	10%	0.099	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.1	-177.4	-62.3	-175.1	0	0	0	113.3	C700 Q701 F717 N754 I756	C700-L770 HydrophobicContact CB-CD1 4.07Å; Q701-L770 HydrophobicContact CG-CD1 3.91Å; F717-L770 HydrophobicContact CE1-CD1 4.45Å; F717-L770 HydrophobicContact CE1-CD2 3.51Å; F717-L770 HydrophobicContact CZ-CD2 3.6Å; N754-L770 HydrophobicContact CB-CB 4.32Å; N754-L770 WeakPolarHBondContact O-CB 3.2Å; N754-L770 PolarHBondContact O-N 2.97Å; I756-L770 HydrophobicContact CD1-CD2 4.16Å; I756-L770 HydrophobicContact CG1-CD2 3.95Å; I756-L770 HydrophobicContact CG2-CD1 4.03Å; I756-L770 HydrophobicContact CG2-CD2 4.13Å; I756-L770 HydrophobicContact CG2-CG 4.31Å
771	R	92.2	Very high	93	Very high	190 Å²	190	37.8 Å²	37.8	72%	0.717	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-35.9	-179.5	-62.3	175.6	-70.9	175.8	-0.3	112.1	N754 D769	N754-R771 HydrophobicContact CB-CG 3.92Å; D769-R771 VanDerWaalsContact C-N 3.33Å; D769-R771 WeakPolarHBondContact OD1-CB 3.3Å; D769-R771 VanDerWaalsContact OD1-CG 3.26Å; D769-R771 WeakPolarHBondContact OD1-CG 3.45Å; D769-R771 IonicContact OD1-CZ 2.75Å; D769-R771 PolarHBondContact OD1-N 3.24Å; D769-R771 IonicContact OD1-NE 3.79Å; D769-R771 PolarHBondContact OD1-NE 3.03Å; D769-R771 IonicContact OD1-NH2 3.75Å; D769-R771 IonicContact OD2-CZ 2.7Å; D769-R771 IonicContact OD2-NE 3.57Å; D769-R771 PolarHBondContact OD2-NE 3.4Å; D769-R771 IonicContact OD2-NH2 3.21Å; D769-R771 PolarHBondContact OD2-NH2 2.9Å
772	D	92.7	Very high	93	Very high	107 Å²	107	37.1 Å²	37.1	57%	0.572	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129	1.2	-179.4	70.9	-14.1	0	0	0	113.6	S774	D772-S774 VanDerWaalsContact CG-CB 3.46Å; D772-S774 VanDerWaalsContact CG-OG 3.25Å; D772-S774 PolarHBondContact O-N 3.5Å; D772-S774 WeakPolarHBondContact OD1-CB 3.34Å; D772-S774 PolarHBondContact OD1-N 2.79Å; D772-S774 PolarHBondContact OD1-OG 2.87Å; D772-S774 VanDerWaalsContact OD2-CB 3.27Å; D772-S774 WeakPolarHBondContact OD2-CB 3.46Å; D772-S774 PolarHBondContact OD2-OG 3.09Å; D772-S774 VanDerWaalsContact OD2-OG 3.12Å
773	L	93.8	Very high	93.1	Very high	59 Å²	59	39.1 Å²	39.1	31%	0.309	20%	0.202	S	C	.	.			trans	62.2	19.6	-175.6	-48.7	176.7	0	0	0	113.4	T727 I729 D769	T727-L773 HydrophobicContact CG2-CD1 4.04Å; T727-L773 HydrophobicContact CG2-CD2 4.24Å; T727-L773 WeakPolarHBondContact OG1-CD1 3.36Å; I729-L773 HydrophobicContact CD1-CB 4.33Å; I729-L773 HydrophobicContact CD1-CD2 4.03Å; I729-L773 HydrophobicContact CG1-CB 4.17Å; I729-L773 HydrophobicContact CG1-CD2 4.17Å; D769-L773 CarbonylContact O-C 3.58Å; D769-L773 WeakPolarHBondContact O-CA 3.44Å; D769-L773 PolarHBondContact O-N 3.36Å
774	S	92.4	Very high	93	Very high	44 Å²	44	37.8 Å²	37.8	31%	0.308	19%	0.192	S	C	.	.			trans	-75.6	156.4	179.5	70.5	0	0	0	0	112.8	Y768 D769 D772 S776	Y768-S774 CarbonylContact C-O 3.58Å; Y768-S774 VanDerWaalsContact CA-O 3.27Å; Y768-S774 WeakPolarHBondContact CA-O 3.21Å; Y768-S774 WeakPolarHBondContact CD1-O 3.29Å; D769-S774 PolarHBondContact N-O 3.36Å; D769-S774 PolarHBondContact O-N 2.96Å; D772-S774 VanDerWaalsContact CG-CB 3.46Å; D772-S774 VanDerWaalsContact CG-OG 3.25Å; D772-S774 PolarHBondContact O-N 3.5Å; D772-S774 WeakPolarHBondContact OD1-CB 3.34Å; D772-S774 PolarHBondContact OD1-N 2.79Å; D772-S774 PolarHBondContact OD1-OG 2.87Å; D772-S774 VanDerWaalsContact OD2-CB 3.27Å; D772-S774 WeakPolarHBondContact OD2-CB 3.46Å; D772-S774 PolarHBondContact OD2-OG 3.09Å; D772-S774 VanDerWaalsContact OD2-OG 3.12Å; S774-S776 PolarHBondContact O-N 2.94Å
775	L	92.3	Very high	92.8	Very high	51 Å²	51	37.9 Å²	37.9	27%	0.267	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.2	173.3	-178.8	67.1	0	0	0	109.4	R766 Y768 M777	R766-L775 HydrophobicContact CB-CD1 3.63Å; R766-L775 HydrophobicContact CG-CD1 3.87Å; Y768-L775 HydrophobicContact CD1-CB 4.28Å; Y768-L775 HydrophobicContact CD1-CD1 4.22Å; Y768-L775 HydrophobicContact CD2-CD1 4.3Å; Y768-L775 HydrophobicContact CE1-CB 4.04Å; Y768-L775 HydrophobicContact CE1-CD1 3.95Å; Y768-L775 HydrophobicContact CE2-CD1 4.05Å; Y768-L775 HydrophobicContact CG-CD1 4.4Å; L775-M777 WeakPolarHBondContact CD1-O 3.47Å
776	S	90.4	Very high	92.2	Very high	50 Å²	50	39.2 Å²	39.2	35%	0.35	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-51.8	178.1	173.8	0	0	0	0	111.8	L767 S774	L767-S776 WeakPolarHBondContact O-CB 3.48Å; L767-S776 PolarHBondContact O-N 2.66Å; S774-S776 PolarHBondContact O-N 2.94Å
777	M	91.1	Very high	91.7	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.054	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.4	-176.2	-166.7	49.7	68	0	0	112.5	R766 L767 L775 Y779 H816 R826 R828 N829	R766-M777 WeakPolarHBondContact CA-O 3.37Å; L767-M777 HydrophobicContact CB-CB 4.1Å; L767-M777 HydrophobicContact CD2-CB 4.45Å; L767-M777 PolarHBondContact N-O 2.66Å; L767-M777 PolarHBondContact O-N 2.85Å; L775-M777 WeakPolarHBondContact CD1-O 3.47Å; M777-Y779 HydrophobicContact CB-CE2 4.03Å; M777-Y779 HydrophobicContact CG-CD1 4.45Å; M777-Y779 HydrophobicContact CG-CD2 4.43Å; M777-Y779 HydrophobicContact CG-CE1 3.8Å; M777-Y779 HydrophobicContact CG-CE2 3.78Å; M777-Y779 VanDerWaalsContact CG-CZ 3.42Å; M777-H816 HydrophobicContact CE-CB 4.44Å; M777-R826 WeakPolarHBondContact CE-O 3.44Å; M777-R828 PolarHBondContact SD-N 3.5Å; M777-R828 VanDerWaalsContact SD-N 3.44Å; M777-N829 HydrophobicContact CG-CB 4.46Å; M777-N829 HydrophobicContact SD-CB 4.08Å; M777-N829 PolarHBondContact SD-N 2.86Å
778	K	92.1	Very high	91.4	Very high	23 Å²	23	39.6 Å²	39.6	10%	0.1	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	110.4	-178.6	-177.1	-162	-54.2	66.7	0	110.7	R764 I765 R766 D827 R828 N829	R764-K778 HydrophobicContact CB-CG 4.5Å; R764-K778 HydrophobicContact CG-CG 4.35Å; I765-K778 CarbonylContact O-C 3.58Å; I765-K778 WeakPolarHBondContact O-CA 3.4Å; R766-K778 HydrophobicContact CG-CG 4.27Å; K778-D827 VanDerWaalsContact CB-O 3.26Å; K778-D827 WeakPolarHBondContact CB-O 3.42Å; K778-D827 PolarHBondContact N-O 3.22Å; K778-D827 PolarHBondContact NZ-O 3.1Å; K778-D827 IonicContact NZ-OD2 3.58Å; K778-D827 PolarHBondContact NZ-OD2 3.2Å; K778-R828 WeakPolarHBondContact O-CA 3.47Å; K778-N829 PolarHBondContact O-N 2.68Å
779	Y	93.2	Very high	91.3	Very high	1 Å²	1	39 Å²	39	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	145.7	-176.2	-52.8	-87	0	0	0	110.3	L757 I765 L767 M777 I800 W812 H816 N829	L757-Y779 HydrophobicContact CD1-CE2 4.32Å; I765-Y779 HydrophobicContact CB-CD2 4.35Å; I765-Y779 HydrophobicContact CG2-CD2 4.36Å; I765-Y779 PolarHBondContact N-O 2.78Å; I765-Y779 PolarHBondContact O-N 3.16Å; L767-Y779 HydrophobicContact CB-CE2 4.3Å; M777-Y779 HydrophobicContact CB-CE2 4.03Å; M777-Y779 HydrophobicContact CG-CD1 4.45Å; M777-Y779 HydrophobicContact CG-CD2 4.43Å; M777-Y779 HydrophobicContact CG-CE1 3.8Å; M777-Y779 HydrophobicContact CG-CE2 3.78Å; M777-Y779 VanDerWaalsContact CG-CZ 3.42Å; Y779-I800 HydrophobicContact CD2-CD1 3.98Å; Y779-I800 HydrophobicContact CE1-CD1 4.05Å; Y779-I800 HydrophobicContact CE2-CD1 3.36Å; Y779-I800 VanDerWaalsContact CZ-CD1 3.41Å; Y779-W812 HydrophobicContact CD1-CB 3.58Å; Y779-W812 AromaticContact CD1-CD1 3.75Å; Y779-W812 HydrophobicContact CD1-CD2 4.36Å; Y779-W812 AromaticContact CD1-CG 3.62Å; Y779-W812 HydrophobicContact CD1-CG 3.62Å; Y779-W812 HydrophobicContact CE1-CB 4Å; Y779-W812 HydrophobicContact CG-CB 4.46Å; Y779-W812 HydrophobicContact CG-CD2 4.48Å; Y779-W812 HydrophobicContact CG-CG 4.18Å; Y779-H816 AromaticContact CE1-CE1 3.85Å; Y779-H816 AromaticContact CE1-NE2 3.78Å; Y779-H816 AromaticContact CZ-NE2 4Å; Y779-H816 PolarHBondContact OH-NE2 3.25Å; Y779-N829 WeakPolarHBondContact CA-O 3.45Å; Y779-N829 HydrophobicContact CD1-CB 3.7Å; Y779-N829 HydrophobicContact CE1-CB 3.94Å
780	K	91.1	Very high	91.4	Very high	51 Å²	51	40.5 Å²	40.5	22%	0.222	22%	0.218	C	C	.	.			trans	-142.3	159.7	177.9	-52.6	-177	-135.3	130.7	0	110	R764 W812 N829 D830	R764-K780 HydrophobicContact CG-CG 4.39Å; K780-W812 PolarHBondContact O-NE1 3.2Å; K780-N829 PolarHBondContact N-O 3.4Å; K780-N829 VanDerWaalsContact N-O 3.13Å; K780-D830 IonicContact NZ-OD2 2.96Å; K780-D830 PolarHBondContact NZ-OD2 3.44Å
781	G	88.2	Confident	91.5	Very high	27 Å²	27	39.8 Å²	39.8	28%	0.278	22%	0.215	S	C	.	.	S	Bend	trans	146.7	-62	174.2	0	0	0	0	0	109	Y810	G781-Y810 PolarHBondContact O-OH 2.86Å
782	Y	93.3	Very high	91.7	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.02	18%	0.184	C	C	.	.	S	Bend	trans	-59.7	162.2	176.1	88.6	-54.1	0	0	0	115.2	T759 R764 I765 N784 G803 Y810 W812	T759-Y782 HydrophobicContact CG2-CE2 4.48Å; R764-Y782 PolarHBondContact N-OH 2.93Å; R764-Y782 PolarHBondContact O-OH 3.12Å; I765-Y782 HydrophobicContact CD1-CD1 4.44Å; I765-Y782 HydrophobicContact CD1-CE1 4.05Å; I765-Y782 HydrophobicContact CG1-CE1 3.9Å; Y782-N784 HydrophobicContact CD2-CB 4.07Å; Y782-N784 HydrophobicContact CE2-CB 3.43Å; Y782-N784 VanDerWaalsContact CE2-CB 3.43Å; Y782-G803 WeakPolarHBondContact CD2-O 3.29Å; Y782-Y810 VanDerWaalsContact CB-CD2 3.45Å; Y782-W812 AromaticContact CD1-CH2 3.82Å; Y782-W812 HydrophobicContact CD1-CH2 3.82Å; Y782-W812 AromaticContact CD1-CZ2 3.89Å; Y782-W812 HydrophobicContact CD1-CZ2 3.89Å; Y782-W812 AromaticContact CG-CH2 3.89Å; Y782-W812 HydrophobicContact CG-CH2 3.89Å; Y782-W812 HydrophobicContact CG-CZ2 4.29Å
783	V	93.3	Very high	91.9	Very high	52 Å²	52	26.7 Å²	26.7	32%	0.315	16%	0.159	S	C	.	.			trans	-112.5	122.7	176.1	-171.5	0	0	0	0	109.1	S804 E805 D806	V783-S804 PolarHBondContact N-OG 3.49Å; V783-S804 WeakPolarHBondContact O-CA 3.25Å; V783-S804 PolarHBondContact O-OG 3.23Å; V783-E805 HydrophobicContact CB-CB 4.2Å; V783-E805 HydrophobicContact CG1-CB 4.03Å; V783-E805 PolarHBondContact O-N 3.49Å; V783-D806 HydrophobicContact CB-CB 4.45Å; V783-D806 HydrophobicContact CG2-CB 4.04Å
784	N	92.3	Very high	91.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.			trans	-148.5	114.1	168.4	176.5	-7.2	0	0	0	107.1	N761 S763 Y782 S787 I789 E805	N761-N784 CarbonylContact C-O 3.58Å; S763-N784 WeakPolarHBondContact CA-O 3.41Å; S763-N784 PolarHBondContact N-O 2.77Å; S763-N784 VanDerWaalsContact N-O 3.17Å; S763-N784 PolarHBondContact OG-N 2.95Å; S763-N784 PolarHBondContact OG-O 3.5Å; Y782-N784 HydrophobicContact CD2-CB 4.07Å; Y782-N784 HydrophobicContact CE2-CB 3.43Å; Y782-N784 VanDerWaalsContact CE2-CB 3.43Å; N784-S787 PolarHBondContact OD1-O 2.92Å; N784-I789 PolarHBondContact ND2-O 3Å; N784-I789 VanDerWaalsContact ND2-O 3.15Å; N784-E805 WeakPolarHBondContact CA-OE2 3.35Å
785	S	89	Confident	91.8	Very high	64 Å²	64	25.1 Å²	25.1	45%	0.448	15%	0.146	S	C	.	.	S	Bend	trans	-128.8	-40.8	-166.1	-37.1	0	0	0	0	110.6	N761 E805	N761-S785 WeakPolarHBondContact CB-O 3.2Å; N761-S785 PolarHBondContact ND2-O 3.33Å; S785-E805 WeakPolarHBondContact CB-OE2 3.38Å; S785-E805 PolarHBondContact N-OE1 3.35Å; S785-E805 PolarHBondContact N-OE2 2.91Å; S785-E805 PolarHBondContact OG-OE2 3.36Å
786	S	83.6	Confident	91.7	Very high	29 Å²	29	26.2 Å²	26.2	20%	0.203	15%	0.152	C	C	.	.	S	Bend	trans	-125.3	-39.4	-179.6	49.1	0	0	0	0	111.7	T383 K743 N761 E805	T383-S786 WeakPolarHBondContact CG2-O 3.3Å; T383-S786 PolarHBondContact OG1-O 2.91Å; K743-S786 PolarHBondContact NZ-O 3.12Å; N761-S786 WeakPolarHBondContact ND2-CA 3.23Å; N761-S786 PolarHBondContact ND2-N 3.36Å; N761-S786 PolarHBondContact ND2-O 3.43Å; S786-E805 PolarHBondContact N-OE1 2.85Å; S786-E805 PolarHBondContact OG-OE1 2.95Å
787	S	85.4	Confident	91.7	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.049	15%	0.152	C	C	.	.	S	Bend	trans	-60.6	171.9	-169.5	-60.3	0	0	0	0	115.4	K743 T745 N784 E805	K743-S787 PolarHBondContact NZ-O 3.46Å; T745-S787 WeakPolarHBondContact CG2-O 3.26Å; N784-S787 PolarHBondContact OD1-O 2.92Å; S787-E805 VanDerWaalsContact CB-OE1 3.27Å; S787-E805 WeakPolarHBondContact CB-OE1 3.4Å; S787-E805 PolarHBondContact N-OE1 2.92Å; S787-E805 WeakPolarHBondContact OG-CG 3.49Å; S787-E805 PolarHBondContact OG-OE1 2.83Å
788	Q	88.8	Confident	91.7	Very high	15 Å²	15	29.1 Å²	29.1	7%	0.07	16%	0.16	C	C	.	.			trans	-99.3	20.8	179	-162.6	57.3	18.9	0	0	112.7	L382 T695 T745 K790	L382-Q788 HydrophobicContact CD2-CG 4.29Å; T695-Q788 PolarHBondContact O-NE2 3.34Å; T745-Q788 PolarHBondContact O-NE2 3.23Å; Q788-K790 PolarHBondContact O-N 2.79Å
789	I	94.2	Very high	91.8	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.16	C	C	.	.			trans	-62.4	129	-174.1	-58.9	159.5	0	0	0	110.8	T745 T759 N784 E805 V841 V842	T745-I789 WeakPolarHBondContact CB-O 3.24Å; T745-I789 PolarHBondContact OG1-O 2.84Å; T759-I789 WeakPolarHBondContact CG2-O 3.12Å; N784-I789 PolarHBondContact ND2-O 3Å; N784-I789 VanDerWaalsContact ND2-O 3.15Å; I789-E805 HydrophobicContact CD1-CG 4.16Å; I789-V841 HydrophobicContact CD1-CG1 4.45Å; I789-V842 WeakPolarHBondContact CD1-O 3.38Å
790	K	95.2	Very high	92	Very high	45 Å²	45	29 Å²	29	20%	0.196	16%	0.16	C	C	.	.			trans	-105.5	141.2	175.8	-55.4	179	-172.7	169.5	0	108.8	D611 T745 Q788	D611-K790 IonicContact OD1-NZ 3.95Å; D611-K790 PolarHBondContact OD1-NZ 3.14Å; D611-K790 IonicContact OD2-NZ 3.88Å; D611-K790 PolarHBondContact OD2-NZ 3.38Å; T745-K790 VanDerWaalsContact O-CE 3.25Å; T745-K790 WeakPolarHBondContact O-CE 3.29Å; T745-K790 WeakPolarHBondContact O-CG 3.41Å; Q788-K790 PolarHBondContact O-N 2.79Å
791	A	97.2	Very high	92.3	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146.6	165.7	0	0	0	0	0	110.1	L757 T759 I765 I800 V801	L757-A791 HydrophobicContact CD2-CB 4.2Å; T759-A791 HydrophobicContact CG2-CB 4.42Å; T759-A791 WeakPolarHBondContact OG1-CB 3.37Å; T759-A791 PolarHBondContact OG1-N 2.76Å; T759-A791 VanDerWaalsContact OG1-N 3.14Å; I765-A791 HydrophobicContact CD1-CB 3.5Å; I765-A791 VanDerWaalsContact CD1-CB 3.5Å; I765-A791 HydrophobicContact CG1-CB 3.79Å; I765-A791 HydrophobicContact CG2-CB 4.14Å; A791-I800 HydrophobicContact CB-CG2 4.14Å; A791-V801 CarbonylContact C-O 3.6Å; A791-V801 WeakPolarHBondContact CA-O 3.49Å; A791-V801 WeakPolarHBondContact CB-O 3.41Å
792	S	96.6	Very high	92.7	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163.6	177.5	65.3	0	0	0	0	112.2	E748 I800 V801 A845	E748-S792 WeakPolarHBondContact OE1-CA 3.34Å; E748-S792 WeakPolarHBondContact OE1-CB 3.38Å; S792-I800 CarbonylContact O-C 3.54Å; S792-I800 WeakPolarHBondContact O-CA 3.4Å; S792-V801 PolarHBondContact N-O 3.27Å; S792-V801 PolarHBondContact O-N 3.01Å; S792-A845 PolarHBondContact OG-O 3.1Å
793	F	95.9	Very high	92.8	Very high	14 Å²	14	25.1 Å²	25.1	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	164.8	173.7	-66.5	-80.9	0	0	0	113.2	E748 L750 L757 L767 Y797 F799 I800 T814	E748-F793 HydrophobicContact CG-CD2 4.34Å; E748-F793 PolarHBondContact OE1-N 2.98Å; L750-F793 HydrophobicContact CB-CE2 4.08Å; L750-F793 HydrophobicContact CB-CZ 4.06Å; L750-F793 HydrophobicContact CD1-CD1 4.28Å; L750-F793 HydrophobicContact CD1-CD2 4.32Å; L750-F793 HydrophobicContact CD1-CE1 4.07Å; L750-F793 HydrophobicContact CD1-CE2 4.1Å; L750-F793 HydrophobicContact CD1-CG 4.39Å; L750-F793 HydrophobicContact CD1-CZ 3.97Å; L750-F793 HydrophobicContact CD2-CZ 4.47Å; L750-F793 HydrophobicContact CG-CZ 4.4Å; L757-F793 HydrophobicContact CB-CE2 3.73Å; L757-F793 HydrophobicContact CB-CZ 3.78Å; L757-F793 HydrophobicContact CD1-CE1 4.5Å; L757-F793 HydrophobicContact CD1-CZ 4.16Å; L757-F793 HydrophobicContact CD2-CD2 4.41Å; L757-F793 HydrophobicContact CD2-CE1 4.48Å; L757-F793 HydrophobicContact CD2-CE2 4.09Å; L757-F793 HydrophobicContact CD2-CZ 4.13Å; L757-F793 HydrophobicContact CG-CE2 4.42Å; L757-F793 HydrophobicContact CG-CZ 4.25Å; L767-F793 HydrophobicContact CD1-CZ 4.07Å; F793-Y797 HydrophobicContact CB-CD1 3.84Å; F793-Y797 HydrophobicContact CG-CD1 4.21Å; F793-F799 CarbonylContact C-O 3.56Å; F793-F799 WeakPolarHBondContact CA-O 3.44Å; F793-I800 HydrophobicContact CD1-CD1 4.38Å; F793-I800 HydrophobicContact CD1-CG1 3.62Å; F793-I800 HydrophobicContact CE1-CD1 4Å; F793-I800 HydrophobicContact CE1-CG1 3.75Å; F793-I800 HydrophobicContact CG-CG1 4.5Å; F793-T814 HydrophobicContact CD1-CG2 4.21Å; F793-T814 HydrophobicContact CE1-CG2 4.23Å
794	S	94.4	Very high	92.9	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	12%	0.12	C	C	.	.			trans	-72.2	168.7	157.4	59.1	0	0	0	0	111.6	D796 Y797 S798 F799 F847	S794-D796 VanDerWaalsContact C-N 3.31Å; S794-D796 WeakPolarHBondContact CB-OD1 3.33Å; S794-D796 PolarHBondContact O-N 3.48Å; S794-D796 PolarHBondContact OG-OD1 2.67Å; S794-Y797 WeakPolarHBondContact O-CD1 3.48Å; S794-Y797 PolarHBondContact O-N 3.2Å; S794-Y797 VanDerWaalsContact O-N 3.08Å; S794-Y797 WeakPolarHBondContact OG-CA 3.34Å; S794-Y797 PolarHBondContact OG-N 3.37Å; S794-S798 PolarHBondContact OG-N 2.99Å; S794-S798 VanDerWaalsContact OG-N 3.08Å; S794-F799 PolarHBondContact N-O 3.28Å; S794-F799 PolarHBondContact OG-N 2.8Å; S794-F799 PolarHBondContact OG-O 2.91Å; S794-F847 VanDerWaalsContact CA-CD2 3.45Å
795	H	89.9	Confident	92.9	Very high	65 Å²	65	24.3 Å²	24.3	30%	0.301	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32.1	-175.8	68.2	-83.2	0	0	0	114.2	P849 E890	H795-P849 WeakPolarHBondContact CB-O 3.48Å; H795-E890 IonicContact CE1-OE1 3.27Å; H795-E890 PolarHBondContact CE1-OE1 3.28Å; H795-E890 IonicContact CE1-OE2 3.64Å; H795-E890 IonicContact ND1-OE1 2.77Å; H795-E890 IonicContact ND1-OE2 2.94Å; H795-E890 PolarHBondContact ND1-OE2 3.06Å
796	D	89.8	Confident	93.1	Very high	74 Å²	74	23.5 Å²	23.5	40%	0.396	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.5	174.6	71.1	-23.1	0	0	0	113.1	S794 S798	S794-D796 VanDerWaalsContact C-N 3.31Å; S794-D796 WeakPolarHBondContact CB-OD1 3.33Å; S794-D796 PolarHBondContact O-N 3.48Å; S794-D796 PolarHBondContact OG-OD1 2.67Å; D796-S798 PolarHBondContact O-N 3.49Å; D796-S798 PolarHBondContact OD1-N 3.36Å; D796-S798 PolarHBondContact OD1-OG 2.92Å; D796-S798 WeakPolarHBondContact OD2-CB 3.24Å; D796-S798 PolarHBondContact OD2-OG 2.92Å
797	Y	91.8	Very high	93.5	Very high	92 Å²	92	26.5 Å²	26.5	36%	0.361	13%	0.128	S	C	.	.	S	Bend	trans	61.2	15	-173.2	-33.5	-70.5	0	0	0	116.2	L750 P751 F793 S794 F799 T814	L750-Y797 HydrophobicContact CD1-CD1 3.59Å; L750-Y797 HydrophobicContact CD1-CD2 4.11Å; L750-Y797 HydrophobicContact CD1-CE1 4.35Å; L750-Y797 HydrophobicContact CD1-CG 3.45Å; L750-Y797 VanDerWaalsContact CD1-CG 3.45Å; P751-Y797 HydrophobicContact CB-CE1 4.48Å; P751-Y797 VanDerWaalsContact CD-CE1 3.46Å; P751-Y797 HydrophobicContact CG-CE1 3.8Å; P751-Y797 WeakPolarHBondContact CG-OH 3.08Å; F793-Y797 HydrophobicContact CB-CD1 3.84Å; F793-Y797 HydrophobicContact CG-CD1 4.21Å; S794-Y797 WeakPolarHBondContact O-CD1 3.48Å; S794-Y797 PolarHBondContact O-N 3.2Å; S794-Y797 VanDerWaalsContact O-N 3.08Å; S794-Y797 WeakPolarHBondContact OG-CA 3.34Å; S794-Y797 PolarHBondContact OG-N 3.37Å; Y797-F799 VanDerWaalsContact C-N 3.29Å; Y797-F799 PolarHBondContact O-N 2.85Å; Y797-T814 WeakPolarHBondContact O-CB 3.45Å; Y797-T814 WeakPolarHBondContact O-CG2 3.01Å; Y797-T814 PolarHBondContact O-OG1 3.21Å
798	S	90.8	Very high	93.9	Very high	31 Å²	31	28.9 Å²	28.9	22%	0.217	14%	0.136	C	C	.	.	S	Bend	trans	-73.4	-17.4	175.4	67.9	0	0	0	0	114.1	S794 D796 S813 T814	S794-S798 PolarHBondContact OG-N 2.99Å; S794-S798 VanDerWaalsContact OG-N 3.08Å; D796-S798 PolarHBondContact O-N 3.49Å; D796-S798 PolarHBondContact OD1-N 3.36Å; D796-S798 PolarHBondContact OD1-OG 2.92Å; D796-S798 WeakPolarHBondContact OD2-CB 3.24Å; D796-S798 PolarHBondContact OD2-OG 2.92Å; S798-S813 CarbonylContact O-C 3.53Å; S798-S813 WeakPolarHBondContact O-CA 3.45Å; S798-S813 PolarHBondContact O-OG 2.99Å; S798-S813 VanDerWaalsContact O-OG 3.13Å; S798-T814 VanDerWaalsContact C-OG1 3.3Å; S798-T814 WeakPolarHBondContact CA-OG1 3.31Å; S798-T814 PolarHBondContact O-N 3.46Å; S798-T814 PolarHBondContact O-OG1 2.85Å
799	F	94	Very high	94.3	Very high	22 Å²	22	28.2 Å²	28.2	10%	0.096	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.2	176.5	-58.1	-76.3	0	0	0	112.9	D494 F495 F793 S794 Y797 I811 W812 F847	D494-F799 HydrophobicContact CB-CE1 4.04Å; D494-F799 HydrophobicContact CB-CZ 3.96Å; D494-F799 WeakPolarHBondContact OD2-CE1 3.31Å; F495-F799 AromaticContact CE2-CD1 3.82Å; F495-F799 HydrophobicContact CE2-CD1 3.82Å; F495-F799 HydrophobicContact CE2-CD2 4.25Å; F495-F799 AromaticContact CE2-CE1 3.67Å; F495-F799 HydrophobicContact CE2-CE1 3.67Å; F495-F799 HydrophobicContact CE2-CE2 4.1Å; F495-F799 HydrophobicContact CE2-CG 4.12Å; F495-F799 AromaticContact CE2-CZ 3.82Å; F495-F799 HydrophobicContact CE2-CZ 3.82Å; F495-F799 HydrophobicContact CZ-CD1 4.28Å; F495-F799 AromaticContact CZ-CD2 3.93Å; F495-F799 HydrophobicContact CZ-CD2 3.93Å; F495-F799 HydrophobicContact CZ-CE1 4.3Å; F495-F799 AromaticContact CZ-CE2 3.94Å; F495-F799 HydrophobicContact CZ-CE2 3.94Å; F495-F799 HydrophobicContact CZ-CG 4.12Å; F495-F799 HydrophobicContact CZ-CZ 4.13Å; F793-F799 CarbonylContact C-O 3.56Å; F793-F799 WeakPolarHBondContact CA-O 3.44Å; S794-F799 PolarHBondContact N-O 3.28Å; S794-F799 PolarHBondContact OG-N 2.8Å; S794-F799 PolarHBondContact OG-O 2.91Å; Y797-F799 VanDerWaalsContact C-N 3.29Å; Y797-F799 PolarHBondContact O-N 2.85Å; F799-I811 HydrophobicContact CB-CG2 4.01Å; F799-I811 HydrophobicContact CD1-CG2 3.96Å; F799-I811 HydrophobicContact CG-CG2 4.21Å; F799-W812 CarbonylContact C-O 3.57Å; F799-W812 VanDerWaalsContact CA-O 3.3Å; F799-W812 WeakPolarHBondContact CA-O 3.5Å; F799-F847 HydrophobicContact CB-CE2 3.97Å; F799-F847 HydrophobicContact CB-CZ 4.05Å
800	I	96.5	Very high	94.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138	165.6	-70	155	0	0	0	107.4	L757 I765 Y779 A791 S792 F793 I811 W812 T814	L757-I800 HydrophobicContact CD1-CD1 3.67Å; L757-I800 HydrophobicContact CD1-CG1 4.34Å; L757-I800 HydrophobicContact CD2-CD1 4.36Å; L757-I800 HydrophobicContact CD2-CG1 4.12Å; L757-I800 HydrophobicContact CD2-CG2 3.93Å; I765-I800 HydrophobicContact CD1-CG2 4.4Å; Y779-I800 HydrophobicContact CD2-CD1 3.98Å; Y779-I800 HydrophobicContact CE1-CD1 4.05Å; Y779-I800 HydrophobicContact CE2-CD1 3.36Å; Y779-I800 VanDerWaalsContact CZ-CD1 3.41Å; A791-I800 HydrophobicContact CB-CG2 4.14Å; S792-I800 CarbonylContact O-C 3.54Å; S792-I800 WeakPolarHBondContact O-CA 3.4Å; F793-I800 HydrophobicContact CD1-CD1 4.38Å; F793-I800 HydrophobicContact CD1-CG1 3.62Å; F793-I800 HydrophobicContact CE1-CD1 4Å; F793-I800 HydrophobicContact CE1-CG1 3.75Å; F793-I800 HydrophobicContact CG-CG1 4.5Å; I800-I811 CarbonylContact O-C 3.49Å; I800-I811 VanDerWaalsContact O-CA 3.32Å; I800-I811 WeakPolarHBondContact O-CA 3.4Å; I800-W812 HydrophobicContact CB-CE3 4.42Å; I800-W812 HydrophobicContact CG2-CE3 4.02Å; I800-W812 HydrophobicContact CG2-CZ3 4.42Å; I800-W812 PolarHBondContact N-O 2.87Å; I800-W812 PolarHBondContact O-N 3.29Å; I800-T814 HydrophobicContact CD1-CG2 3.75Å; I800-T814 HydrophobicContact CG1-CG2 3.74Å
801	V	97.3	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.3	174.7	64.9	0	0	0	0	111.6	A791 S792 V809 Y810 I811 A845 F847 L892	A791-V801 CarbonylContact C-O 3.6Å; A791-V801 WeakPolarHBondContact CA-O 3.49Å; A791-V801 WeakPolarHBondContact CB-O 3.41Å; S792-V801 PolarHBondContact N-O 3.27Å; S792-V801 PolarHBondContact O-N 3.01Å; V801-V809 HydrophobicContact CG2-CG1 3.31Å; V801-Y810 CarbonylContact C-O 3.48Å; V801-Y810 WeakPolarHBondContact CA-O 3.48Å; V801-I811 HydrophobicContact CB-CG1 4.5Å; V801-I811 HydrophobicContact CG2-CG1 4.12Å; V801-A845 HydrophobicContact CG2-CB 3.87Å; V801-F847 HydrophobicContact CB-CD2 4.05Å; V801-F847 HydrophobicContact CB-CE2 3.63Å; V801-F847 HydrophobicContact CB-CZ 4.41Å; V801-F847 HydrophobicContact CG1-CD2 3.57Å; V801-F847 HydrophobicContact CG1-CE2 3.72Å; V801-L892 HydrophobicContact CG1-CD1 4.48Å; V801-L892 HydrophobicContact CG2-CD1 3.81Å
802	S	97.4	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	143.9	171	-177.2	0	0	0	0	111.1	Y810	S802-Y810 PolarHBondContact N-O 2.94Å; S802-Y810 PolarHBondContact O-N 3.35Å
803	G	96.2	Very high	94	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.			trans	-66.2	177.2	159.5	0	0	0	0	0	112.1	Y782 V842	Y782-G803 WeakPolarHBondContact CD2-O 3.29Å; G803-V842 CarbonylContact C-O 3.58Å; G803-V842 WeakPolarHBondContact CA-O 3.13Å
804	S	95.5	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.			trans	-158	147	-176	-174.1	0	0	0	0	112.5	V783 D806 K807 Y808 V842	V783-S804 PolarHBondContact N-OG 3.49Å; V783-S804 WeakPolarHBondContact O-CA 3.25Å; V783-S804 PolarHBondContact O-OG 3.23Å; S804-D806 WeakPolarHBondContact CB-OD1 3.49Å; S804-D806 PolarHBondContact O-N 3.25Å; S804-D806 PolarHBondContact OG-N 3.05Å; S804-D806 PolarHBondContact OG-OD1 3Å; S804-K807 PolarHBondContact O-N 3.37Å; S804-Y808 WeakPolarHBondContact CB-O 3.39Å; S804-Y808 PolarHBondContact N-O 2.81Å; S804-V842 PolarHBondContact N-O 3.12Å; S804-V842 VanDerWaalsContact N-O 3.11Å; S804-V842 PolarHBondContact O-N 2.83Å; S804-V842 VanDerWaalsContact O-N 3.1Å
805	E	92.3	Very high	92.7	Very high	36 Å²	36	37.7 Å²	37.7	17%	0.168	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.1	172.3	-68.7	168.4	174.2	0	0	112.8	V783 N784 S785 S786 S787 I789 K807 V841	V783-E805 HydrophobicContact CB-CB 4.2Å; V783-E805 HydrophobicContact CG1-CB 4.03Å; V783-E805 PolarHBondContact O-N 3.49Å; N784-E805 WeakPolarHBondContact CA-OE2 3.35Å; S785-E805 WeakPolarHBondContact CB-OE2 3.38Å; S785-E805 PolarHBondContact N-OE1 3.35Å; S785-E805 PolarHBondContact N-OE2 2.91Å; S785-E805 PolarHBondContact OG-OE2 3.36Å; S786-E805 PolarHBondContact N-OE1 2.85Å; S786-E805 PolarHBondContact OG-OE1 2.95Å; S787-E805 VanDerWaalsContact CB-OE1 3.27Å; S787-E805 WeakPolarHBondContact CB-OE1 3.4Å; S787-E805 PolarHBondContact N-OE1 2.92Å; S787-E805 WeakPolarHBondContact OG-CG 3.49Å; S787-E805 PolarHBondContact OG-OE1 2.83Å; I789-E805 HydrophobicContact CD1-CG 4.16Å; E805-K807 VanDerWaalsContact C-N 3.3Å; E805-K807 PolarHBondContact O-N 3.41Å; E805-V841 HydrophobicContact CG-CG1 4.4Å
806	D	91.3	Very high	91.6	Very high	46 Å²	46	36.3 Å²	36.3	25%	0.246	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	8.5	176.1	84.4	-32.1	0	0	0	114.6	K484 V783 S804 Y808 Y810	K484-D806 IonicContact NZ-OD2 3.64Å; K484-D806 PolarHBondContact NZ-OD2 2.96Å; V783-D806 HydrophobicContact CB-CB 4.45Å; V783-D806 HydrophobicContact CG2-CB 4.04Å; S804-D806 WeakPolarHBondContact CB-OD1 3.49Å; S804-D806 PolarHBondContact O-N 3.25Å; S804-D806 PolarHBondContact OG-N 3.05Å; S804-D806 PolarHBondContact OG-OD1 3Å; D806-Y808 VanDerWaalsContact O-CD2 3.29Å; D806-Y808 WeakPolarHBondContact O-CD2 3.44Å; D806-Y808 PolarHBondContact OD1-N 3.14Å; D806-Y808 WeakPolarHBondContact OD2-CD2 3.36Å; D806-Y810 WeakPolarHBondContact OD1-CE2 3.39Å; D806-Y810 PolarHBondContact OD2-OH 3.37Å
807	K	92.5	Very high	90.3	Very high	93 Å²	93	35.5 Å²	35.5	40%	0.404	17%	0.165	S	C	.	.	S	Bend	trans	77	11.6	179.2	-42.9	177.4	170.7	-160.9	0	116.1	S804 E805 N839 A840	S804-K807 PolarHBondContact O-N 3.37Å; E805-K807 VanDerWaalsContact C-N 3.3Å; E805-K807 PolarHBondContact O-N 3.41Å; K807-N839 VanDerWaalsContact CD-O 3.25Å; K807-N839 WeakPolarHBondContact CD-O 3.4Å; K807-N839 VanDerWaalsContact CE-O 3.24Å; K807-N839 WeakPolarHBondContact CE-O 3.5Å; K807-N839 PolarHBondContact NZ-O 3.49Å; K807-A840 WeakPolarHBondContact CA-O 3.29Å; K807-A840 WeakPolarHBondContact CB-O 3.41Å; K807-A840 WeakPolarHBondContact CG-O 3.26Å
808	Y	94.6	Very high	88.9	Confident	56 Å²	56	35.5 Å²	35.5	22%	0.22	17%	0.171	C	C	.	.			trans	-108.4	152.1	175.5	-68.7	-105.4	0	0	0	112.6	K484 S804 D806 I835 K836	K484-Y808 HydrophobicContact CD-CD1 3.72Å; K484-Y808 HydrophobicContact CD-CE1 3.47Å; K484-Y808 VanDerWaalsContact CD-CE1 3.47Å; K484-Y808 HydrophobicContact CD-CE2 4.33Å; K484-Y808 HydrophobicContact CD-CG 4.25Å; K484-Y808 VanDerWaalsContact CE-CG 3.4Å; K484-Y808 HydrophobicContact CG-CD1 3.84Å; K484-Y808 HydrophobicContact CG-CE1 3.64Å; K484-Y808 VanDerWaalsContact NZ-CE2 3.31Å; S804-Y808 WeakPolarHBondContact CB-O 3.39Å; S804-Y808 PolarHBondContact N-O 2.81Å; D806-Y808 VanDerWaalsContact O-CD2 3.29Å; D806-Y808 WeakPolarHBondContact O-CD2 3.44Å; D806-Y808 PolarHBondContact OD1-N 3.14Å; D806-Y808 WeakPolarHBondContact OD2-CD2 3.36Å; Y808-I835 WeakPolarHBondContact CA-O 3.43Å; Y808-K836 HydrophobicContact CD1-CB 3.87Å; Y808-K836 HydrophobicContact CD1-CG 4.42Å; Y808-K836 HydrophobicContact CE1-CB 3.56Å; Y808-K836 HydrophobicContact CE1-CG 4.1Å; Y808-K836 HydrophobicContact CE2-CG 4.43Å
809	V	96.6	Very high	87.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.5	155.7	-179.9	0	0	0	0	107.6	V801 G834 I835 A837 V842 A845 L892	V801-V809 HydrophobicContact CG2-CG1 3.31Å; V809-G834 CarbonylContact O-C 3.58Å; V809-G834 VanDerWaalsContact O-CA 3.27Å; V809-G834 WeakPolarHBondContact O-CA 3.28Å; V809-I835 PolarHBondContact N-O 3.44Å; V809-I835 PolarHBondContact O-N 2.71Å; V809-A837 HydrophobicContact CG2-CB 3.88Å; V809-V842 HydrophobicContact CG2-CG1 3.94Å; V809-A845 HydrophobicContact CG1-CB 4Å; V809-A845 HydrophobicContact CG2-CB 4.22Å; V809-L892 HydrophobicContact CG1-CD2 4.14Å
810	Y	96.4	Very high	85.9	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.7	173.4	-79.1	-102.8	0	0	0	110.9	K484 G781 Y782 V801 S802 D806 W812 W832 E833	K484-Y810 WeakPolarHBondContact CE-OH 3.33Å; K484-Y810 PolarHBondContact NZ-OH 2.9Å; G781-Y810 PolarHBondContact O-OH 2.86Å; Y782-Y810 VanDerWaalsContact CB-CD2 3.45Å; V801-Y810 CarbonylContact C-O 3.48Å; V801-Y810 WeakPolarHBondContact CA-O 3.48Å; S802-Y810 PolarHBondContact N-O 2.94Å; S802-Y810 PolarHBondContact O-N 3.35Å; D806-Y810 WeakPolarHBondContact OD1-CE2 3.39Å; D806-Y810 PolarHBondContact OD2-OH 3.37Å; Y810-W812 VanDerWaalsContact CB-CH2 3.42Å; Y810-W812 HydrophobicContact CD1-CZ2 4.38Å; Y810-W812 HydrophobicContact CG-CH2 4.29Å; Y810-W812 HydrophobicContact CG-CZ2 4.39Å; Y810-W812 WeakPolarHBondContact O-CZ3 3.38Å; Y810-W832 HydrophobicContact CD1-CB 4.35Å; Y810-W832 AromaticContact CD1-CD2 3.71Å; Y810-W832 HydrophobicContact CD1-CD2 3.71Å; Y810-W832 AromaticContact CD1-CE3 3.6Å; Y810-W832 HydrophobicContact CD1-CE3 3.6Å; Y810-W832 HydrophobicContact CD1-CG 4.04Å; Y810-W832 HydrophobicContact CD1-CZ3 4.24Å; Y810-W832 AromaticContact CE1-CD2 3.56Å; Y810-W832 HydrophobicContact CE1-CD2 3.56Å; Y810-W832 AromaticContact CE1-CE2 3.85Å; Y810-W832 AromaticContact CE1-CE3 3.41Å; Y810-W832 HydrophobicContact CE1-CE3 3.41Å; Y810-W832 VanDerWaalsContact CE1-CE3 3.41Å; Y810-W832 HydrophobicContact CE1-CG 4.28Å; Y810-W832 AromaticContact CE1-CH2 3.93Å; Y810-W832 HydrophobicContact CE1-CH2 3.93Å; Y810-W832 HydrophobicContact CE1-CZ2 4.03Å; Y810-W832 AromaticContact CE1-CZ3 3.62Å; Y810-W832 HydrophobicContact CE1-CZ3 3.62Å; Y810-E833 WeakPolarHBondContact CA-O 3.31Å
811	I	95.9	Very high	84.1	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	139.3	176.1	-51.6	175.6	0	0	0	109.4	F495 F799 I800 V801 W832 E833 I835 F847 L892	F495-I811 HydrophobicContact CB-CD1 4.38Å; F495-I811 HydrophobicContact CD1-CD1 3.71Å; F495-I811 HydrophobicContact CD2-CD1 3.81Å; F495-I811 HydrophobicContact CD2-CG2 4.16Å; F495-I811 HydrophobicContact CE1-CD1 3.87Å; F495-I811 HydrophobicContact CE2-CB 4.48Å; F495-I811 HydrophobicContact CE2-CD1 3.98Å; F495-I811 HydrophobicContact CE2-CG2 3.68Å; F495-I811 HydrophobicContact CG-CD1 3.69Å; F495-I811 HydrophobicContact CZ-CD1 4.01Å; F495-I811 HydrophobicContact CZ-CG2 4.15Å; F799-I811 HydrophobicContact CB-CG2 4.01Å; F799-I811 HydrophobicContact CD1-CG2 3.96Å; F799-I811 HydrophobicContact CG-CG2 4.21Å; I800-I811 CarbonylContact O-C 3.49Å; I800-I811 VanDerWaalsContact O-CA 3.32Å; I800-I811 WeakPolarHBondContact O-CA 3.4Å; V801-I811 HydrophobicContact CB-CG1 4.5Å; V801-I811 HydrophobicContact CG2-CG1 4.12Å; I811-W832 WeakPolarHBondContact O-CA 3.37Å; I811-W832 WeakPolarHBondContact O-CB 3.38Å; I811-E833 PolarHBondContact N-O 3.35Å; I811-E833 PolarHBondContact O-N 3.42Å; I811-I835 HydrophobicContact CD1-CD1 3.57Å; I811-I835 HydrophobicContact CG1-CD1 4.35Å; I811-F847 HydrophobicContact CD1-CZ 4.31Å; I811-F847 HydrophobicContact CG2-CZ 4.29Å; I811-L892 HydrophobicContact CD1-CD2 4.07Å
812	W	94.1	Very high	82	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.4	172.4	-57.3	-96.9	0	0	0	109.2	I765 Y779 K780 Y782 F799 I800 Y810 W832	I765-W812 HydrophobicContact CD1-CE3 4.15Å; I765-W812 HydrophobicContact CD1-CH2 3.47Å; I765-W812 VanDerWaalsContact CD1-CH2 3.47Å; I765-W812 HydrophobicContact CD1-CZ2 4.22Å; I765-W812 HydrophobicContact CD1-CZ3 3.44Å; I765-W812 VanDerWaalsContact CD1-CZ3 3.44Å; Y779-W812 HydrophobicContact CD1-CB 3.58Å; Y779-W812 AromaticContact CD1-CD1 3.75Å; Y779-W812 HydrophobicContact CD1-CD2 4.36Å; Y779-W812 AromaticContact CD1-CG 3.62Å; Y779-W812 HydrophobicContact CD1-CG 3.62Å; Y779-W812 HydrophobicContact CE1-CB 4Å; Y779-W812 HydrophobicContact CG-CB 4.46Å; Y779-W812 HydrophobicContact CG-CD2 4.48Å; Y779-W812 HydrophobicContact CG-CG 4.18Å; K780-W812 PolarHBondContact O-NE1 3.2Å; Y782-W812 AromaticContact CD1-CH2 3.82Å; Y782-W812 HydrophobicContact CD1-CH2 3.82Å; Y782-W812 AromaticContact CD1-CZ2 3.89Å; Y782-W812 HydrophobicContact CD1-CZ2 3.89Å; Y782-W812 AromaticContact CG-CH2 3.89Å; Y782-W812 HydrophobicContact CG-CH2 3.89Å; Y782-W812 HydrophobicContact CG-CZ2 4.29Å; F799-W812 CarbonylContact C-O 3.57Å; F799-W812 VanDerWaalsContact CA-O 3.3Å; F799-W812 WeakPolarHBondContact CA-O 3.5Å; I800-W812 HydrophobicContact CB-CE3 4.42Å; I800-W812 HydrophobicContact CG2-CE3 4.02Å; I800-W812 HydrophobicContact CG2-CZ3 4.42Å; I800-W812 PolarHBondContact N-O 2.87Å; I800-W812 PolarHBondContact O-N 3.29Å; Y810-W812 VanDerWaalsContact CB-CH2 3.42Å; Y810-W812 HydrophobicContact CD1-CZ2 4.38Å; Y810-W812 HydrophobicContact CG-CH2 4.29Å; Y810-W812 HydrophobicContact CG-CZ2 4.39Å; Y810-W812 WeakPolarHBondContact O-CZ3 3.38Å; W812-W832 HydrophobicContact CG-CB 4.29Å
813	S	89.9	Confident	79.9	Confident	34 Å²	34	54.3 Å²	54.3	24%	0.238	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	146.3	164.4	-171.9	0	0	0	0	111.1	S798 Y815 H816	S798-S813 CarbonylContact O-C 3.53Å; S798-S813 WeakPolarHBondContact O-CA 3.45Å; S798-S813 PolarHBondContact O-OG 2.99Å; S798-S813 VanDerWaalsContact O-OG 3.13Å; S813-Y815 PolarHBondContact OG-N 2.92Å; S813-Y815 VanDerWaalsContact OG-N 3.15Å; S813-H816 PolarHBondContact O-CE1 2.99Å; S813-H816 PolarHBondContact O-NE2 3.48Å
814	T	86.9	Confident	78.1	Confident	40 Å²	40	61.9 Å²	61.9	25%	0.245	33%	0.325	C	S	.	.	S	Bend	trans	-88.1	-15.5	169.5	66.7	0	0	0	0	112.3	F793 Y797 S798 I800 H816	F793-T814 HydrophobicContact CD1-CG2 4.21Å; F793-T814 HydrophobicContact CE1-CG2 4.23Å; Y797-T814 WeakPolarHBondContact O-CB 3.45Å; Y797-T814 WeakPolarHBondContact O-CG2 3.01Å; Y797-T814 PolarHBondContact O-OG1 3.21Å; S798-T814 VanDerWaalsContact C-OG1 3.3Å; S798-T814 WeakPolarHBondContact CA-OG1 3.31Å; S798-T814 PolarHBondContact O-N 3.46Å; S798-T814 PolarHBondContact O-OG1 2.85Å; I800-T814 HydrophobicContact CD1-CG2 3.75Å; I800-T814 HydrophobicContact CG1-CG2 3.74Å; T814-H816 PolarHBondContact O-CD2 3.36Å; T814-H816 PolarHBondContact O-NE2 3.46Å
815	Y	76.6	Confident	76.5	Confident	187 Å²	187	68.9 Å²	68.9	73%	0.733	35%	0.352	S	S	*	.			trans	-84.8	125.4	172.3	-173.9	-91	0	0	0	110.2	S813	S813-Y815 PolarHBondContact OG-N 2.92Å; S813-Y815 VanDerWaalsContact OG-N 3.15Å
816	H	66.9	Low	75.5	Confident	36 Å²	36	74.8 Å²	74.8	17%	0.167	37%	0.372	C	S	.	.			trans	-120.9	102	-173.5	-65.3	-69.9	0	0	0	111.2	M777 Y779 S813 T814 L818 F821	M777-H816 HydrophobicContact CE-CB 4.44Å; Y779-H816 AromaticContact CE1-CE1 3.85Å; Y779-H816 AromaticContact CE1-NE2 3.78Å; Y779-H816 AromaticContact CZ-NE2 4Å; Y779-H816 PolarHBondContact OH-NE2 3.25Å; S813-H816 PolarHBondContact O-CE1 2.99Å; S813-H816 PolarHBondContact O-NE2 3.48Å; T814-H816 PolarHBondContact O-CD2 3.36Å; T814-H816 PolarHBondContact O-NE2 3.46Å; H816-L818 HydrophobicContact CB-CD2 4.36Å; H816-L818 PolarHBondContact O-N 2.88Å; H816-F821 HydrophobicContact CB-CE2 4.2Å; H816-F821 AromaticContact ND1-CZ 3.86Å
817	D	62	Low	74.8	Confident	57 Å²	57	74.7 Å²	74.7	31%	0.305	37%	0.372	S	S	.	.			trans	-66.3	102.6	164.4	177.3	-3.9	0	0	0	109.4	S819 K820 F821	D817-S819 VanDerWaalsContact CG-OG 3.24Å; D817-S819 PolarHBondContact O-N 2.67Å; D817-S819 VanDerWaalsContact O-N 3.08Å; D817-S819 VanDerWaalsContact OD1-CB 3.24Å; D817-S819 WeakPolarHBondContact OD1-CB 3.39Å; D817-S819 PolarHBondContact OD1-N 2.87Å; D817-S819 PolarHBondContact OD1-OG 3.34Å; D817-S819 PolarHBondContact OD2-OG 3.06Å; D817-K820 HydrophobicContact CB-CD 4.01Å; D817-K820 HydrophobicContact CB-CG 4.24Å; D817-K820 PolarHBondContact O-N 3.49Å; D817-K820 VanDerWaalsContact O-N 3.16Å; D817-K820 WeakPolarHBondContact OD2-CE 3.41Å; D817-K820 IonicContact OD2-NZ 3.19Å; D817-F821 WeakPolarHBondContact O-CD2 3.35Å
818	L	63	Low	74.3	Confident	91 Å²	91	73.9 Å²	73.9	48%	0.476	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.7	-176.6	-59	-179.1	0	0	0	114	H816 R826	H816-L818 HydrophobicContact CB-CD2 4.36Å; H816-L818 PolarHBondContact O-N 2.88Å; L818-R826 HydrophobicContact CD2-CB 4.32Å; L818-R826 HydrophobicContact CD2-CG 4.45Å
819	S	62.3	Low	73.9	Confident	96 Å²	96	71.4 Å²	71.4	67%	0.671	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-31.1	174.5	77.3	0	0	0	0	112.9	D817 F821	D817-S819 VanDerWaalsContact CG-OG 3.24Å; D817-S819 PolarHBondContact O-N 2.67Å; D817-S819 VanDerWaalsContact O-N 3.08Å; D817-S819 VanDerWaalsContact OD1-CB 3.24Å; D817-S819 WeakPolarHBondContact OD1-CB 3.39Å; D817-S819 PolarHBondContact OD1-N 2.87Å; D817-S819 PolarHBondContact OD1-OG 3.34Å; D817-S819 PolarHBondContact OD2-OG 3.06Å; S819-F821 PolarHBondContact O-N 3.2Å
820	K	59.3	Low	73.3	Confident	130 Å²	130	74.2 Å²	74.2	57%	0.565	37%	0.372	S	S	*	.	S	Bend	trans	-71.9	-15	-177.1	-67.2	176.6	-177.6	164.8	0	113.4	D817 T822 F831	D817-K820 HydrophobicContact CB-CD 4.01Å; D817-K820 HydrophobicContact CB-CG 4.24Å; D817-K820 PolarHBondContact O-N 3.49Å; D817-K820 VanDerWaalsContact O-N 3.16Å; D817-K820 WeakPolarHBondContact OD2-CE 3.41Å; D817-K820 IonicContact OD2-NZ 3.19Å; K820-T822 PolarHBondContact O-N 3.48Å; K820-F831 HydrophobicContact CB-CE2 4.4Å; K820-F831 HydrophobicContact CB-CZ 4.41Å
821	F	59.5	Low	72.8	Confident	25 Å²	25	75.7 Å²	75.7	11%	0.11	38%	0.378	C	S	.	.			trans	-85.7	108.6	179.5	-68.3	-82.2	0	0	0	112.4	H816 D817 S819 S823 R828 F831	H816-F821 HydrophobicContact CB-CE2 4.2Å; H816-F821 AromaticContact ND1-CZ 3.86Å; D817-F821 WeakPolarHBondContact O-CD2 3.35Å; S819-F821 PolarHBondContact O-N 3.2Å; F821-S823 PolarHBondContact O-N 3.45Å; F821-R828 WeakPolarHBondContact CE1-O 3.27Å; F821-F831 HydrophobicContact CD1-CD2 4.35Å; F821-F831 AromaticContact CD1-CE2 3.69Å; F821-F831 HydrophobicContact CD1-CE2 3.69Å; F821-F831 HydrophobicContact CD2-CE2 4.46Å; F821-F831 AromaticContact CE1-CD2 3.61Å; F821-F831 HydrophobicContact CE1-CD2 3.61Å; F821-F831 AromaticContact CE1-CE2 3.41Å; F821-F831 HydrophobicContact CE1-CE2 3.41Å; F821-F831 VanDerWaalsContact CE1-CE2 3.41Å; F821-F831 HydrophobicContact CE2-CE2 4.24Å; F821-F831 HydrophobicContact CG-CE2 4.22Å; F821-F831 AromaticContact CZ-CD2 3.72Å; F821-F831 HydrophobicContact CZ-CD2 3.72Å; F821-F831 AromaticContact CZ-CE2 3.73Å; F821-F831 HydrophobicContact CZ-CE2 3.73Å
822	T	53	Low	72.6	Confident	153 Å²	153	77.5 Å²	77.5	94%	0.939	39%	0.385	S	S	*	.			trans	-65.9	6	168.6	57.2	0	0	0	0	114.2	K820	K820-T822 PolarHBondContact O-N 3.48Å
823	S	54	Low	72.6	Confident	44 Å²	44	77.8 Å²	77.8	31%	0.308	39%	0.386	S	S	.	.	S	Bend	trans	-102.3	126.8	-170.5	172	0	0	0	0	111.9	F821 R825	F821-S823 PolarHBondContact O-N 3.45Å; S823-R825 WeakPolarHBondContact CB-O 3.31Å; S823-R825 PolarHBondContact O-N 2.99Å; S823-R825 PolarHBondContact OG-N 3.15Å; S823-R825 PolarHBondContact OG-O 3.25Å
824	V	56.4	Low	72.7	Confident	159 Å²	159	76.1 Å²	76.1	96%	0.964	38%	0.375	S	S	*	.	S	Bend	trans	-55.6	-14.4	167.4	-177.1	0	0	0	0	112.5
825	R	62	Low	73.1	Confident	147 Å²	147	74.3 Å²	74.3	56%	0.555	36%	0.364	S	S	*	.			trans	-114	114.6	170.6	-61.2	-172.7	-179.7	92.2	2.8	111.4	S823 D827	S823-R825 WeakPolarHBondContact CB-O 3.31Å; S823-R825 PolarHBondContact O-N 2.99Å; S823-R825 PolarHBondContact OG-N 3.15Å; S823-R825 PolarHBondContact OG-O 3.25Å; R825-D827 VanDerWaalsContact CB-OD1 3.28Å; R825-D827 WeakPolarHBondContact CB-OD1 3.32Å; R825-D827 PolarHBondContact O-N 3.02Å
826	R	72.2	Confident	73.7	Confident	160 Å²	160	68.6 Å²	68.6	60%	0.604	34%	0.343	S	S	*	.			trans	-82.6	8.4	174.4	-64	171.9	175.6	130.5	-0.4	113.5	M777 L818 R828	M777-R826 WeakPolarHBondContact CE-O 3.44Å; L818-R826 HydrophobicContact CD2-CB 4.32Å; L818-R826 HydrophobicContact CD2-CG 4.45Å; R826-R828 VanDerWaalsContact C-N 3.27Å; R826-R828 PolarHBondContact O-N 3.31Å
827	D	76.3	Confident	74.5	Confident	44 Å²	44	67.1 Å²	67.1	24%	0.235	34%	0.337	C	S	.	.	S	Bend	trans	-86.2	19.5	-176.9	83.4	-50.4	0	0	0	114.4	K778 R825	K778-D827 VanDerWaalsContact CB-O 3.26Å; K778-D827 WeakPolarHBondContact CB-O 3.42Å; K778-D827 PolarHBondContact N-O 3.22Å; K778-D827 PolarHBondContact NZ-O 3.1Å; K778-D827 IonicContact NZ-OD2 3.58Å; K778-D827 PolarHBondContact NZ-OD2 3.2Å; R825-D827 VanDerWaalsContact CB-OD1 3.28Å; R825-D827 WeakPolarHBondContact CB-OD1 3.32Å; R825-D827 PolarHBondContact O-N 3.02Å
828	R	82.6	Confident	75.9	Confident	77 Å²	77	64.6 Å²	64.6	29%	0.291	32%	0.323	S	S	.	.			trans	-148.4	124.5	-163.6	-69.8	153.8	-163.5	-126.5	-11.7	110.5	M777 K778 F821 R826	M777-R828 PolarHBondContact SD-N 3.5Å; M777-R828 VanDerWaalsContact SD-N 3.44Å; K778-R828 WeakPolarHBondContact O-CA 3.47Å; F821-R828 WeakPolarHBondContact CE1-O 3.27Å; R826-R828 VanDerWaalsContact C-N 3.27Å; R826-R828 PolarHBondContact O-N 3.31Å
829	N	85.3	Confident	77.1	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.021	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-108	123.7	160.4	-173.2	21	0	0	0	109.7	M777 K778 Y779 K780 F831	M777-N829 HydrophobicContact CG-CB 4.46Å; M777-N829 HydrophobicContact SD-CB 4.08Å; M777-N829 PolarHBondContact SD-N 2.86Å; K778-N829 PolarHBondContact O-N 2.68Å; Y779-N829 WeakPolarHBondContact CA-O 3.45Å; Y779-N829 HydrophobicContact CD1-CB 3.7Å; Y779-N829 HydrophobicContact CE1-CB 3.94Å; K780-N829 PolarHBondContact N-O 3.4Å; K780-N829 VanDerWaalsContact N-O 3.13Å; N829-F831 PolarHBondContact ND2-O 3.22Å; N829-F831 WeakPolarHBondContact OD1-CA 3.43Å; N829-F831 WeakPolarHBondContact OD1-CB 3.43Å; N829-F831 WeakPolarHBondContact OD1-CD2 3.44Å; N829-F831 PolarHBondContact OD1-N 3.28Å; N829-F831 PolarHBondContact OD1-O 2.81Å
830	D	83.6	Confident	78.4	Confident	59 Å²	59	62.1 Å²	62.1	32%	0.316	31%	0.305	S	S	.	.			trans	-124.6	12.3	166.2	35.2	36.9	0	0	0	112.9	A486 K780 W832	A486-D830 WeakPolarHBondContact CB-O 3.45Å; K780-D830 IonicContact NZ-OD2 2.96Å; K780-D830 PolarHBondContact NZ-OD2 3.44Å; D830-W832 PolarHBondContact O-NE1 2.81Å
831	F	87.3	Confident	80	Confident	40 Å²	40	57.1 Å²	57.1	18%	0.175	29%	0.285	C	S	.	.			trans	-81.2	122	158.5	-52.9	-71.6	0	0	0	109	F489 K820 F821 N829	F489-F831 HydrophobicContact CB-CB 4.46Å; F489-F831 HydrophobicContact CB-CD1 3.86Å; F489-F831 HydrophobicContact CD2-CB 4.32Å; F489-F831 HydrophobicContact CD2-CD1 4.02Å; F489-F831 HydrophobicContact CD2-CG 4.43Å; F489-F831 HydrophobicContact CG-CB 4.33Å; F489-F831 HydrophobicContact CG-CD1 4.24Å; K820-F831 HydrophobicContact CB-CE2 4.4Å; K820-F831 HydrophobicContact CB-CZ 4.41Å; F821-F831 HydrophobicContact CD1-CD2 4.35Å; F821-F831 AromaticContact CD1-CE2 3.69Å; F821-F831 HydrophobicContact CD1-CE2 3.69Å; F821-F831 HydrophobicContact CD2-CE2 4.46Å; F821-F831 AromaticContact CE1-CD2 3.61Å; F821-F831 HydrophobicContact CE1-CD2 3.61Å; F821-F831 AromaticContact CE1-CE2 3.41Å; F821-F831 HydrophobicContact CE1-CE2 3.41Å; F821-F831 VanDerWaalsContact CE1-CE2 3.41Å; F821-F831 HydrophobicContact CE2-CE2 4.24Å; F821-F831 HydrophobicContact CG-CE2 4.22Å; F821-F831 AromaticContact CZ-CD2 3.72Å; F821-F831 HydrophobicContact CZ-CD2 3.72Å; F821-F831 AromaticContact CZ-CE2 3.73Å; F821-F831 HydrophobicContact CZ-CE2 3.73Å; N829-F831 PolarHBondContact ND2-O 3.22Å; N829-F831 WeakPolarHBondContact OD1-CA 3.43Å; N829-F831 WeakPolarHBondContact OD1-CB 3.43Å; N829-F831 WeakPolarHBondContact OD1-CD2 3.44Å; N829-F831 PolarHBondContact OD1-N 3.28Å; N829-F831 PolarHBondContact OD1-O 2.81Å
832	W	91.7	Very high	81.7	Confident	42 Å²	42	55.9 Å²	55.9	16%	0.159	28%	0.28	C	S	.	.			trans	-151.6	157.9	-179.5	50.7	-96.7	0	0	0	110.4	K484 A485 A486 Y810 I811 W812 D830	K484-W832 HydrophobicContact CD-CH2 4.21Å; K484-W832 HydrophobicContact CD-CZ3 4.04Å; K484-W832 HydrophobicContact CG-CZ3 3.97Å; A485-W832 WeakPolarHBondContact CA-O 3.42Å; A486-W832 HydrophobicContact CB-CD2 3.98Å; A486-W832 HydrophobicContact CB-CG 4.09Å; A486-W832 HydrophobicContact CB-CZ2 4.2Å; A486-W832 PolarHBondContact N-O 2.85Å; Y810-W832 HydrophobicContact CD1-CB 4.35Å; Y810-W832 AromaticContact CD1-CD2 3.71Å; Y810-W832 HydrophobicContact CD1-CD2 3.71Å; Y810-W832 AromaticContact CD1-CE3 3.6Å; Y810-W832 HydrophobicContact CD1-CE3 3.6Å; Y810-W832 HydrophobicContact CD1-CG 4.04Å; Y810-W832 HydrophobicContact CD1-CZ3 4.24Å; Y810-W832 AromaticContact CE1-CD2 3.56Å; Y810-W832 HydrophobicContact CE1-CD2 3.56Å; Y810-W832 AromaticContact CE1-CE2 3.85Å; Y810-W832 AromaticContact CE1-CE3 3.41Å; Y810-W832 HydrophobicContact CE1-CE3 3.41Å; Y810-W832 VanDerWaalsContact CE1-CE3 3.41Å; Y810-W832 HydrophobicContact CE1-CG 4.28Å; Y810-W832 AromaticContact CE1-CH2 3.93Å; Y810-W832 HydrophobicContact CE1-CH2 3.93Å; Y810-W832 HydrophobicContact CE1-CZ2 4.03Å; Y810-W832 AromaticContact CE1-CZ3 3.62Å; Y810-W832 HydrophobicContact CE1-CZ3 3.62Å; I811-W832 WeakPolarHBondContact O-CA 3.37Å; I811-W832 WeakPolarHBondContact O-CB 3.38Å; W812-W832 HydrophobicContact CG-CB 4.29Å; D830-W832 PolarHBondContact O-NE1 2.81Å
833	E	93.5	Very high	83.8	Confident	8 Å²	8	49 Å²	49	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.3	169.3	-65.9	179.5	-142.9	0	0	108.5	F483 F489 F493 D494 F495 Y810 I811	F483-E833 HydrophobicContact CE2-CB 3.94Å; F483-E833 HydrophobicContact CE2-CG 4.03Å; F483-E833 WeakPolarHBondContact CE2-OE2 3.14Å; F483-E833 HydrophobicContact CZ-CB 4.21Å; F483-E833 HydrophobicContact CZ-CG 3.86Å; F489-E833 HydrophobicContact CD1-CG 4.26Å; F489-E833 HydrophobicContact CE1-CG 3.93Å; F489-E833 WeakPolarHBondContact CE1-OE1 3.1Å; F493-E833 WeakPolarHBondContact CA-OE1 3.14Å; F493-E833 HydrophobicContact CD1-CG 4.38Å; D494-E833 PolarHBondContact N-OE1 3.09Å; D494-E833 PolarHBondContact N-OE2 2.64Å; F495-E833 WeakPolarHBondContact CA-OE2 3.44Å; F495-E833 WeakPolarHBondContact CB-OE2 3.4Å; F495-E833 PolarHBondContact N-OE2 2.93Å; Y810-E833 WeakPolarHBondContact CA-O 3.31Å; I811-E833 PolarHBondContact N-O 3.35Å; I811-E833 PolarHBondContact O-N 3.42Å
834	G	93.3	Very high	85.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.5	-169.6	0	0	0	0	0	111	F483 K484 V809	F483-G834 CarbonylContact C-O 3.51Å; K484-G834 VanDerWaalsContact CG-O 3.29Å; K484-G834 WeakPolarHBondContact CG-O 3.37Å; K484-G834 PolarHBondContact N-O 3.47Å; K484-G834 WeakPolarHBondContact O-CA 3.43Å; K484-G834 PolarHBondContact O-N 3.44Å; V809-G834 CarbonylContact O-C 3.58Å; V809-G834 VanDerWaalsContact O-CA 3.27Å; V809-G834 WeakPolarHBondContact O-CA 3.28Å
835	I	93.4	Very high	87.7	Confident	1 Å²	1	40 Å²	40	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.3	-169.8	-60.2	150.3	0	0	0	108.4	A481 F495 I498 Y808 V809 I811 A837 L892 F904	A481-I835 HydrophobicContact CB-CG2 3.62Å; F495-I835 HydrophobicContact CB-CD1 4.23Å; I498-I835 HydrophobicContact CD1-CD1 3.79Å; I498-I835 HydrophobicContact CG2-CD1 4.05Å; I498-I835 HydrophobicContact CG2-CG1 4.03Å; I498-I835 HydrophobicContact CG2-CG2 4.05Å; Y808-I835 WeakPolarHBondContact CA-O 3.43Å; V809-I835 PolarHBondContact N-O 3.44Å; V809-I835 PolarHBondContact O-N 2.71Å; I811-I835 HydrophobicContact CD1-CD1 3.57Å; I811-I835 HydrophobicContact CG1-CD1 4.35Å; I835-A837 VanDerWaalsContact C-N 3.28Å; I835-A837 PolarHBondContact O-N 3.36Å; I835-L892 HydrophobicContact CD1-CD2 4.26Å; I835-F904 HydrophobicContact CG2-CE1 4.44Å
836	K	91	Very high	89.4	Confident	68 Å²	68	33.6 Å²	33.6	30%	0.296	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	79	176.1	-159.1	-163	171.6	-158.9	0	110.5	K482 Y808 H838 N839	K482-K836 HydrophobicContact CB-CB 3.99Å; K482-K836 PolarHBondContact O-N 2.82Å; Y808-K836 HydrophobicContact CD1-CB 3.87Å; Y808-K836 HydrophobicContact CD1-CG 4.42Å; Y808-K836 HydrophobicContact CE1-CB 3.56Å; Y808-K836 HydrophobicContact CE1-CG 4.1Å; Y808-K836 HydrophobicContact CE2-CG 4.43Å; K836-H838 VanDerWaalsContact CE-O 3.29Å; K836-H838 WeakPolarHBondContact CE-O 3.49Å; K836-N839 PolarHBondContact NZ-OD1 2.83Å
837	A	83.6	Confident	90.5	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	13%	0.133	C	C	.	.			trans	-66	-36.7	177.9	0	0	0	0	0	113.2	V809 I835 S894 K902 F904	V809-A837 HydrophobicContact CG2-CB 3.88Å; I835-A837 VanDerWaalsContact C-N 3.28Å; I835-A837 PolarHBondContact O-N 3.36Å; A837-S894 WeakPolarHBondContact CB-OG 3.29Å; A837-K902 WeakPolarHBondContact O-CD 3.46Å; A837-K902 PolarHBondContact O-NZ 2.8Å; A837-F904 HydrophobicContact CB-CE1 4.21Å; A837-F904 HydrophobicContact CB-CE2 3.97Å; A837-F904 HydrophobicContact CB-CZ 3.41Å; A837-F904 VanDerWaalsContact CB-CZ 3.41Å
838	H	89.8	Confident	91.4	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	12%	0.122	C	C	.	.			trans	-138.4	167.8	-162.3	-68.4	-63.1	0	0	0	113.3	K836 V842 S894 D896	K836-H838 VanDerWaalsContact CE-O 3.29Å; K836-H838 WeakPolarHBondContact CE-O 3.49Å; H838-V842 HydrophobicContact CB-CG2 4.18Å; H838-S894 PolarHBondContact NE2-O 2.72Å; H838-S894 PolarHBondContact NE2-OG 2.92Å; H838-D896 HydrophobicContact CB-CB 3.81Å; H838-D896 IonicContact CG-OD2 2.71Å; H838-D896 IonicContact ND1-OD2 3.76Å
839	N	88.8	Confident	91.9	Very high	117 Å²	117	22.7 Å²	22.7	63%	0.626	12%	0.12	S	C	*	.	S	Bend	trans	-103.3	-7	176.6	-78.4	-32.6	0	0	0	113.3	K807 K836	K807-N839 VanDerWaalsContact CD-O 3.25Å; K807-N839 WeakPolarHBondContact CD-O 3.4Å; K807-N839 VanDerWaalsContact CE-O 3.24Å; K807-N839 WeakPolarHBondContact CE-O 3.5Å; K807-N839 PolarHBondContact NZ-O 3.49Å; K836-N839 PolarHBondContact NZ-OD1 2.83Å
840	A	90.9	Very high	92.1	Very high	17 Å²	17	26.3 Å²	26.3	14%	0.14	14%	0.137	C	C	.	.	S	Bend	trans	-116.4	-174.7	167.3	0	0	0	0	0	112.1	K807 V842 D896 F897 T898	K807-A840 WeakPolarHBondContact CA-O 3.29Å; K807-A840 WeakPolarHBondContact CB-O 3.41Å; K807-A840 WeakPolarHBondContact CG-O 3.26Å; A840-V842 PolarHBondContact O-N 2.91Å; A840-D896 WeakPolarHBondContact CB-OD2 3.49Å; A840-D896 PolarHBondContact N-OD2 2.85Å; A840-F897 HydrophobicContact CB-CB 4.18Å; A840-T898 HydrophobicContact CB-CG2 3.77Å
841	V	92.3	Very high	92.4	Very high	25 Å²	25	23.8 Å²	23.8	15%	0.152	12%	0.123	C	C	.	.			trans	-59.4	127.9	177.8	168	0	0	0	0	110	I789 E805 T843 D896 F897	I789-V841 HydrophobicContact CD1-CG1 4.45Å; E805-V841 HydrophobicContact CG-CG1 4.4Å; V841-T843 HydrophobicContact CG1-CG2 4.45Å; V841-T843 PolarHBondContact O-N 2.89Å; V841-D896 CarbonylContact O-C 3.59Å; V841-D896 VanDerWaalsContact O-CA 3.28Å; V841-D896 WeakPolarHBondContact O-CA 3.47Å; V841-D896 WeakPolarHBondContact O-CB 3.21Å; V841-F897 HydrophobicContact CB-CB 4.19Å; V841-F897 PolarHBondContact O-N 2.93Å
842	V	95.7	Very high	92.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.6	176.2	-173.3	0	0	0	0	108.4	I789 G803 S804 V809 H838 A840 A895	I789-V842 WeakPolarHBondContact CD1-O 3.38Å; G803-V842 CarbonylContact C-O 3.58Å; G803-V842 WeakPolarHBondContact CA-O 3.13Å; S804-V842 PolarHBondContact N-O 3.12Å; S804-V842 VanDerWaalsContact N-O 3.11Å; S804-V842 PolarHBondContact O-N 2.83Å; S804-V842 VanDerWaalsContact O-N 3.1Å; V809-V842 HydrophobicContact CG2-CG1 3.94Å; H838-V842 HydrophobicContact CB-CG2 4.18Å; A840-V842 PolarHBondContact O-N 2.91Å; V842-A895 WeakPolarHBondContact CG1-O 3.3Å
843	T	95.3	Very high	92.2	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.043	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-34	-173.6	45	0	0	0	0	112.4	V512 W513 V841 A895 F897	V512-T843 WeakPolarHBondContact O-CB 3.44Å; V512-T843 PolarHBondContact O-OG1 3.28Å; W513-T843 HydrophobicContact CE3-CG2 3.91Å; W513-T843 HydrophobicContact CZ3-CG2 3.76Å; V841-T843 HydrophobicContact CG1-CG2 4.45Å; V841-T843 PolarHBondContact O-N 2.89Å; T843-A895 PolarHBondContact N-O 3.38Å; T843-A895 PolarHBondContact OG1-O 3.26Å; T843-F897 HydrophobicContact CG2-CB 4.28Å; T843-F897 HydrophobicContact CG2-CD2 4.33Å
844	S	96.3	Very high	91.8	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.7	-178.8	-165.1	0	0	0	0	111.7	S894 A895	S844-S894 CarbonylContact O-C 3.52Å; S844-S894 WeakPolarHBondContact O-CA 3.2Å; S844-A895 PolarHBondContact N-O 3.07Å; S844-A895 PolarHBondContact O-N 2.91Å
845	A	97.4	Very high	91.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.9	172.5	0	0	0	0	0	109.3	S792 V801 V809 L893	S792-A845 PolarHBondContact OG-O 3.1Å; V801-A845 HydrophobicContact CG2-CB 3.87Å; V809-A845 HydrophobicContact CG1-CB 4Å; V809-A845 HydrophobicContact CG2-CB 4.22Å; A845-L893 CarbonylContact C-O 3.6Å; A845-L893 VanDerWaalsContact CA-O 3.31Å; A845-L893 WeakPolarHBondContact CA-O 3.3Å
846	V	97.1	Very high	89.5	Confident	13 Å²	13	33.3 Å²	33.3	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	140.7	-175.7	-65.4	0	0	0	0	110.7	M515 F517 L893	M515-V846 HydrophobicContact CB-CG2 4.29Å; M515-V846 HydrophobicContact CE-CG2 4.18Å; F517-V846 HydrophobicContact CD2-CG2 4.14Å; F517-V846 HydrophobicContact CE2-CG2 4.05Å; V846-L893 HydrophobicContact CG2-CB 4.33Å; V846-L893 PolarHBondContact N-O 2.63Å; V846-L893 PolarHBondContact O-N 2.86Å
847	F	96.4	Very high	87.6	Confident	12 Å²	12	38.2 Å²	38.2	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	154.2	165.3	-73.9	-80.5	0	0	0	110.6	F495 F517 S794 F799 V801 I811 E890 V891 L892	F495-F847 AromaticContact CE1-CE1 3.96Å; F495-F847 HydrophobicContact CE1-CE1 3.96Å; F495-F847 HydrophobicContact CE1-CZ 4.2Å; F495-F847 HydrophobicContact CZ-CE1 4.08Å; F495-F847 AromaticContact CZ-CZ 3.96Å; F495-F847 HydrophobicContact CZ-CZ 3.96Å; F517-F847 WeakPolarHBondContact CD2-O 3.27Å; S794-F847 VanDerWaalsContact CA-CD2 3.45Å; F799-F847 HydrophobicContact CB-CE2 3.97Å; F799-F847 HydrophobicContact CB-CZ 4.05Å; V801-F847 HydrophobicContact CB-CD2 4.05Å; V801-F847 HydrophobicContact CB-CE2 3.63Å; V801-F847 HydrophobicContact CB-CZ 4.41Å; V801-F847 HydrophobicContact CG1-CD2 3.57Å; V801-F847 HydrophobicContact CG1-CE2 3.72Å; I811-F847 HydrophobicContact CD1-CZ 4.31Å; I811-F847 HydrophobicContact CG2-CZ 4.29Å; F847-E890 WeakPolarHBondContact CD1-OE2 3.36Å; F847-E890 HydrophobicContact CE1-CB 4.24Å; F847-E890 HydrophobicContact CE1-CG 4.4Å; F847-V891 CarbonylContact C-O 3.48Å; F847-V891 WeakPolarHBondContact CA-O 3.37Å; F847-L892 HydrophobicContact CD1-CB 4.32Å; F847-L892 HydrophobicContact CE1-CB 4.35Å
848	A	95	Very high	85.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.228	C	C	.	.			trans	-73.9	139.6	166.6	0	0	0	0	0	110.4	F517 H850 I854 V891	F517-A848 HydrophobicContact CE1-CB 4.3Å; F517-A848 HydrophobicContact CE2-CB 3.98Å; F517-A848 HydrophobicContact CZ-CB 3.76Å; A848-H850 VanDerWaalsContact C-N 3.26Å; A848-H850 PolarHBondContact O-N 3.15Å; A848-I854 HydrophobicContact CB-CD1 3.49Å; A848-I854 VanDerWaalsContact CB-CD1 3.49Å; A848-V891 HydrophobicContact CB-CB 3.94Å; A848-V891 HydrophobicContact CB-CG1 3.96Å; A848-V891 PolarHBondContact N-O 2.79Å
849	P	92.4	Very high	83.3	Confident	39 Å²	39	48.9 Å²	48.9	25%	0.253	27%	0.266	S	S	.	.	S	Bend	trans	-72.7	-18.7	-179.6	30.4	-36.4	0	0	0	113.3	F517 G521 H795	F517-P849 HydrophobicContact CB-CG 3.96Å; F517-P849 VanDerWaalsContact CG-CD 3.46Å; F517-P849 HydrophobicContact CG-CG 4.25Å; G521-P849 VanDerWaalsContact CA-CG 3.5Å; H795-P849 WeakPolarHBondContact CB-O 3.48Å
850	H	90.4	Very high	80.8	Confident	81 Å²	81	50.8 Å²	50.8	38%	0.375	28%	0.275	S	S	.	.			trans	-141.6	88.2	178.6	-58.3	-44.8	0	0	0	108.9	A848 D852 L853	A848-H850 VanDerWaalsContact C-N 3.26Å; A848-H850 PolarHBondContact O-N 3.15Å; H850-D852 VanDerWaalsContact C-N 3.25Å; H850-D852 PolarHBondContact O-N 2.96Å; H850-L853 HydrophobicContact CB-CD1 3.77Å; H850-L853 HydrophobicContact CB-CG 3.9Å; H850-L853 PolarHBondContact O-N 3.12Å
851	P	89.5	Confident	77.9	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.032	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-61.3	-34.9	-178.4	24.5	-33.5	0	0	0	112.3	L853 I854 V855 T889 V891	P851-L853 PolarHBondContact O-N 3.33Å; P851-I854 WeakPolarHBondContact O-CB 3.22Å; P851-I854 PolarHBondContact O-N 3.3Å; P851-V855 WeakPolarHBondContact O-CG2 3.45Å; P851-V855 PolarHBondContact O-N 3.46Å; P851-V855 VanDerWaalsContact O-N 3.11Å; P851-T889 WeakPolarHBondContact CB-O 3.33Å; P851-T889 WeakPolarHBondContact CG-O 3.35Å; P851-V891 HydrophobicContact CB-CB 4.21Å; P851-V891 HydrophobicContact CB-CG2 3.69Å
852	D	87.9	Confident	75.1	Confident	139 Å²	139	61.8 Å²	61.8	74%	0.743	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-58.9	-20.7	-179.6	-47	-37	0	0	0	114.4	H850 I854	H850-D852 VanDerWaalsContact C-N 3.25Å; H850-D852 PolarHBondContact O-N 2.96Å; D852-I854 VanDerWaalsContact C-N 3.33Å
853	L	85.9	Confident	71.9	Confident	58 Å²	58	70.9 Å²	70.9	30%	0.304	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-82.2	-13.4	176.1	-61.8	-177.9	0	0	0	113.3	C520 R522 L538 H850 P851	C520-L853 WeakPolarHBondContact O-CD1 3.28Å; R522-L853 HydrophobicContact CG-CD1 3.92Å; L538-L853 HydrophobicContact CD1-CB 4.07Å; H850-L853 HydrophobicContact CB-CD1 3.77Å; H850-L853 HydrophobicContact CB-CG 3.9Å; H850-L853 PolarHBondContact O-N 3.12Å; P851-L853 PolarHBondContact O-N 3.33Å
854	I	85	Confident	69.1	Low	7 Å²	7	76.5 Å²	76.5	4%	0.036	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-33.6	-170.6	-55	-173.7	0	0	0	110.7	F517 L538 P593 F594 A848 P851 D852 P856 V891	F517-I854 HydrophobicContact CE1-CD1 4.32Å; F517-I854 HydrophobicContact CZ-CD1 4.39Å; L538-I854 HydrophobicContact CD1-CG1 3.83Å; L538-I854 HydrophobicContact CD2-CD1 4.23Å; L538-I854 HydrophobicContact CD2-CG1 3.84Å; L538-I854 HydrophobicContact CD2-CG2 4.42Å; P593-I854 HydrophobicContact CB-CB 4.49Å; P593-I854 HydrophobicContact CB-CG2 3.45Å; P593-I854 VanDerWaalsContact CB-CG2 3.45Å; P593-I854 WeakPolarHBondContact CB-O 3.08Å; P593-I854 HydrophobicContact CG-CG2 3.58Å; F594-I854 HydrophobicContact CZ-CD1 4.45Å; A848-I854 HydrophobicContact CB-CD1 3.49Å; A848-I854 VanDerWaalsContact CB-CD1 3.49Å; P851-I854 WeakPolarHBondContact O-CB 3.22Å; P851-I854 PolarHBondContact O-N 3.3Å; D852-I854 VanDerWaalsContact C-N 3.33Å; I854-P856 WeakPolarHBondContact O-CD 3.31Å; I854-V891 HydrophobicContact CB-CG1 4.44Å; I854-V891 HydrophobicContact CB-CG2 4.29Å; I854-V891 HydrophobicContact CD1-CG1 3.95Å; I854-V891 HydrophobicContact CG2-CG1 4Å; I854-V891 HydrophobicContact CG2-CG2 4.4Å
855	V	79.5	Confident	66.2	Low	35 Å²	35	85 Å²	85	21%	0.212	45%	0.45	C	S	.	.	S	Bend	trans	-78.7	122.9	179.5	-177.2	0	0	0	0	110	P851 Q857 T889 V891 I905	P851-V855 WeakPolarHBondContact O-CG2 3.45Å; P851-V855 PolarHBondContact O-N 3.46Å; P851-V855 VanDerWaalsContact O-N 3.11Å; V855-Q857 PolarHBondContact O-N 2.97Å; V855-T889 HydrophobicContact CB-CG2 4.46Å; V855-T889 HydrophobicContact CG1-CG2 4.24Å; V855-T889 HydrophobicContact CG2-CG2 3.4Å; V855-T889 VanDerWaalsContact CG2-CG2 3.4Å; V855-V891 HydrophobicContact CG2-CG2 3.88Å; V855-I905 HydrophobicContact CG2-CD1 4.31Å; V855-I905 HydrophobicContact CG2-CG2 4.32Å
856	P	59.7	Low	63.4	Low	52 Å²	52	89.3 Å²	89.3	34%	0.338	49%	0.485	S	S	.	.			trans	-63.6	126.1	174.7	-22.5	34.4	0	0	0	111.6	I854 E858	I854-P856 WeakPolarHBondContact O-CD 3.31Å; P856-E858 PolarHBondContact O-N 3.29Å
857	Q	51	Low	60.2	Low	171 Å²	171	96 Å²	96	80%	0.799	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-72.7	3.6	-175.2	-155	174.6	11.5	0	0	114.1	V855 T859	V855-Q857 PolarHBondContact O-N 2.97Å; Q857-T859 VanDerWaalsContact C-N 3.29Å; Q857-T859 PolarHBondContact O-N 3.45Å
858	E	43.8	Very low	57.1	Low	103 Å²	103	106.8 Å²	106.8	48%	0.481	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-72.4	-14.7	-168.9	-55.4	-165.5	114	0	0	114.2	R590 P856 L860 A861	R590-E858 IonicContact CZ-OE1 3.43Å; R590-E858 IonicContact CZ-OE2 3.98Å; R590-E858 IonicContact NE-OE2 3.36Å; R590-E858 IonicContact NH2-OE1 3.17Å; R590-E858 PolarHBondContact NH2-OE1 2.65Å; R590-E858 IonicContact NH2-OE2 2.77Å; R590-E858 PolarHBondContact NH2-OE2 3.12Å; P856-E858 PolarHBondContact O-N 3.29Å; E858-L860 PolarHBondContact O-N 2.83Å; E858-A861 PolarHBondContact O-N 2.71Å; E858-A861 VanDerWaalsContact O-N 3.13Å
859	T	38.2	Very low	54.1	Low	131 Å²	131	116.2 Å²	116.2	80%	0.804	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-65.8	-6.1	178.7	44.4	0	0	0	0	115	Q857	Q857-T859 VanDerWaalsContact C-N 3.29Å; Q857-T859 PolarHBondContact O-N 3.45Å
860	L	36.4	Very low	51.3	Low	156 Å²	156	119.8 Å²	119.8	82%	0.817	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-100.6	-6.2	176.1	-97.1	156.2	0	0	0	114.3	E858	E858-L860 PolarHBondContact O-N 2.83Å
861	A	31.5	Very low	48.5	Very low	83 Å²	83	124.1 Å²	124.1	69%	0.686	65%	0.653	S	S	*	*	S	Bend	trans	-100.7	-14.7	-165.9	0	0	0	0	0	115.8	E858 K863	E858-A861 PolarHBondContact O-N 2.71Å; E858-A861 VanDerWaalsContact O-N 3.13Å; A861-K863 PolarHBondContact O-N 3.39Å
862	E	32.4	Very low	45.7	Very low	190 Å²	190	131.3 Å²	131.3	89%	0.888	69%	0.691	S	S	*	*			trans	-95.9	96.9	-178.8	-69.8	-157.9	154.3	0	0	113.5
863	K	28.6	Very low	43	Very low	191 Å²	191	129.8 Å²	129.8	83%	0.83	69%	0.692	S	S	*	*			trans	-143.9	108.5	155.8	-157.1	175.7	-171.8	-179.7	0	109.4	A861	A861-K863 PolarHBondContact O-N 3.39Å
864	P	36.5	Very low	40.3	Very low	125 Å²	125	133 Å²	133	81%	0.812	71%	0.714	S	S	*	*			trans	-69.1	137.7	-174.8	27.2	-34.1	0	0	0	111.5	A866	P864-A866 PolarHBondContact O-N 2.94Å
865	E	36.5	Very low	37.7	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	75%	0.749	S	S	*	*			trans	-71.6	118.9	172.2	-68	-164	119.9	0	0	110.8
866	A	36.6	Very low	35.4	Very low	90 Å²	90	142.7 Å²	142.7	74%	0.744	77%	0.772	S	S	*	*			trans	-148.3	148.5	166.5	0	0	0	0	0	111	P864	P864-A866 PolarHBondContact O-N 2.94Å
867	D	31	Very low	34.1	Very low	153 Å²	153	149.9 Å²	149.9	82%	0.818	80%	0.801	S	S	*	*			trans	51.1	74.9	170.6	-73.6	-14.8	0	0	0	118.6	K869	D867-K869 PolarHBondContact O-N 3.24Å
868	R	30.8	Very low	33.2	Very low	240 Å²	240	148.3 Å²	148.3	91%	0.906	80%	0.803	S	S	*	*			trans	-69.7	110.7	143.7	-72.3	-176.2	-179.1	179.8	2	110.1
869	K	31.7	Very low	32.8	Very low	198 Å²	198	151 Å²	151	86%	0.861	82%	0.82	S	S	*	*			trans	-132.5	135.3	150.9	-78.3	-173.6	179.3	164.3	0	110.9	D867	D867-K869 PolarHBondContact O-N 3.24Å
870	S	34	Very low	32.6	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	82%	0.82	S	S	*	*			trans	-86.6	150	-171.6	51.8	0	0	0	0	113.5
871	L	32.1	Very low	32.7	Very low	173 Å²	173	149.6 Å²	149.6	91%	0.906	83%	0.825	S	S	*	*			trans	-165.5	146.8	136.7	-104.1	160.6	0	0	0	109.8
872	D	30	Very low	32.7	Very low	155 Å²	155	149.3 Å²	149.3	83%	0.829	83%	0.83	S	S	*	*			trans	-81.7	150.9	-173.2	-65.2	-68.1	0	0	0	114.6
873	S	31.4	Very low	32.6	Very low	108 Å²	108	144.6 Å²	144.6	76%	0.755	82%	0.824	S	S	*	*				-175.6	113.7	127.7	32.7	0	0	0	0	114.3
874	T	30.1	Very low	32.8	Very low	125 Å²	125	143.4 Å²	143.4	77%	0.767	83%	0.826	S	S	*	*			trans	41.6	105.6	143.5	56.8	0	0	0	0	121.3
875	D	30.8	Very low	32.8	Very low	145 Å²	145	144.9 Å²	144.9	78%	0.775	82%	0.819	S	S	*	*				57	105.1	126.2	-71.8	-60.7	0	0	0	123.5
876	S	30.9	Very low	32.9	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	80%	0.804	S	S	*	*				66.1	99.3	111.6	-55.1	0	0	0	0	121.2
877	E	31.1	Very low	33.8	Very low	203 Å²	203	139.6 Å²	139.6	95%	0.949	79%	0.788	S	S	*	*				-126.2	147.6	126.9	-83	-155.3	142.4	0	0	110.2
878	T	33.7	Very low	35.8	Very low	138 Å²	138	137.5 Å²	137.5	85%	0.847	77%	0.773	S	S	*	*			trans	-98.6	129.7	-170.5	42.1	0	0	0	0	113.1
879	I	35	Very low	38.3	Very low	160 Å²	160	127.2 Å²	127.2	82%	0.821	74%	0.737	S	S	*	*			trans	-112	133.2	162.1	-60.2	179.7	0	0	0	107.8	S881	I879-S881 PolarHBondContact O-N 3.1Å
880	P	33.2	Very low	41.1	Very low	125 Å²	125	118.5 Å²	118.5	81%	0.812	70%	0.7	S	S	*	*			trans	-65.6	120.7	-175.5	-21.6	33.5	0	0	0	112.9	G882	P880-G882 PolarHBondContact O-N 3.15Å
881	S	38.3	Very low	44	Very low	133 Å²	133	113.1 Å²	113.1	93%	0.93	66%	0.662	S	S	*	*			trans	-75.4	113.8	168.7	-168	0	0	0	0	109.4	I879	I879-S881 PolarHBondContact O-N 3.1Å
882	G	31.9	Very low	46.9	Very low	76 Å²	76	105 Å²	105	78%	0.784	62%	0.619	S	S	*	*			trans	-157.1	13.4	-170.4	0	0	0	0	0	115.8	P880	P880-G882 PolarHBondContact O-N 3.15Å
883	A	31.3	Very low	50.1	Low	91 Å²	91	97.6 Å²	97.6	75%	0.752	58%	0.579	S	S	*	*			trans	-145.2	100.1	174.9	0	0	0	0	0	110.1	K885	A883-K885 PolarHBondContact O-N 3.49Å
884	L	32.1	Very low	53.3	Low	167 Å²	167	92.4 Å²	92.4	87%	0.874	54%	0.544	S	S	*	.			trans	-67.4	117.9	162.4	-74.3	168.9	0	0	0	107.4	T886	L884-T886 VanDerWaalsContact C-N 3.35Å; L884-T886 PolarHBondContact O-N 3.45Å
885	K	35.4	Very low	56.4	Low	156 Å²	156	86.5 Å²	86.5	68%	0.678	51%	0.507	S	S	*	.			trans	-69.4	93	170.5	-79.1	-170.6	159.8	-158.9	0	109.2	A883 Y910	A883-K885 PolarHBondContact O-N 3.49Å; K885-Y910 WeakPolarHBondContact CD-O 3.37Å; K885-Y910 WeakPolarHBondContact CE-O 3.46Å; K885-Y910 PolarHBondContact NZ-O 2.93Å; K885-Y910 PolarHBondContact NZ-OXT 3.34Å
886	T	40.3	Very low	59.5	Low	96 Å²	96	79.8 Å²	79.8	59%	0.589	47%	0.471	S	S	*	.			trans	-78.3	114.3	167.5	48.5	0	0	0	0	109	L884 H888	L884-T886 VanDerWaalsContact C-N 3.35Å; L884-T886 PolarHBondContact O-N 3.45Å; T886-H888 PolarHBondContact O-CD2 3.36Å; T886-H888 PolarHBondContact O-N 3.22Å
887	D	55.6	Low	62.4	Low	76 Å²	76	77.6 Å²	77.6	41%	0.406	45%	0.449	S	S	.	.			trans	-62.2	103.4	171	-83.5	-26.1	0	0	0	109	T889 V907 K909	D887-T889 PolarHBondContact O-N 3.4Å; D887-T889 VanDerWaalsContact O-N 3.09Å; D887-T889 PolarHBondContact O-OG1 3.46Å; D887-V907 HydrophobicContact CB-CG1 4.49Å; D887-K909 WeakPolarHBondContact OD1-CA 3.31Å
888	H	71.3	Confident	65.4	Low	109 Å²	109	72 Å²	72	51%	0.505	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	113.8	179.9	-79.8	-88.9	0	0	0	109.3	T886 K908 Y910	T886-H888 PolarHBondContact O-CD2 3.36Å; T886-H888 PolarHBondContact O-N 3.22Å; H888-K908 PolarHBondContact N-O 2.83Å; H888-K908 WeakPolarHBondContact O-CB 3.35Å; H888-K908 PolarHBondContact O-N 3.22Å; H888-Y910 HydrophobicContact CB-CE2 4.08Å; H888-Y910 AromaticContact CD2-CD2 3.96Å; H888-Y910 AromaticContact CD2-CE2 3.67Å
889	T	84.8	Confident	68.2	Low	23 Å²	23	65.5 Å²	65.5	14%	0.141	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.9	-177.7	-55.2	0	0	0	0	110.5	P851 V855 D887 I905 N906 V907	P851-T889 WeakPolarHBondContact CB-O 3.33Å; P851-T889 WeakPolarHBondContact CG-O 3.35Å; V855-T889 HydrophobicContact CB-CG2 4.46Å; V855-T889 HydrophobicContact CG1-CG2 4.24Å; V855-T889 HydrophobicContact CG2-CG2 3.4Å; V855-T889 VanDerWaalsContact CG2-CG2 3.4Å; D887-T889 PolarHBondContact O-N 3.4Å; D887-T889 VanDerWaalsContact O-N 3.09Å; D887-T889 PolarHBondContact O-OG1 3.46Å; T889-I905 HydrophobicContact CG2-CG2 3.47Å; T889-I905 VanDerWaalsContact CG2-CG2 3.47Å; T889-N906 WeakPolarHBondContact CA-O 3.31Å; T889-V907 HydrophobicContact CG2-CG2 3.78Å
890	E	90.3	Very high	71.1	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.075	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.6	174.1	-74	-60.2	155.5	0	0	111	F495 H795 F847 I905 N906	F495-E890 HydrophobicContact CE1-CB 3.85Å; F495-E890 HydrophobicContact CE1-CG 4.02Å; F495-E890 HydrophobicContact CZ-CB 4.47Å; F495-E890 HydrophobicContact CZ-CG 4.14Å; H795-E890 IonicContact CE1-OE1 3.27Å; H795-E890 PolarHBondContact CE1-OE1 3.28Å; H795-E890 IonicContact CE1-OE2 3.64Å; H795-E890 IonicContact ND1-OE1 2.77Å; H795-E890 IonicContact ND1-OE2 2.94Å; H795-E890 PolarHBondContact ND1-OE2 3.06Å; F847-E890 WeakPolarHBondContact CD1-OE2 3.36Å; F847-E890 HydrophobicContact CE1-CB 4.24Å; F847-E890 HydrophobicContact CE1-CG 4.4Å; E890-I905 WeakPolarHBondContact O-CA 3.28Å; E890-N906 HydrophobicContact CB-CB 4.35Å; E890-N906 PolarHBondContact N-O 3.4Å; E890-N906 PolarHBondContact O-N 3.02Å
891	V	93.6	Very high	74.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.9	175	179	0	0	0	0	109.2	F847 A848 P851 I854 V855 L893 V903 F904 I905	F847-V891 CarbonylContact C-O 3.48Å; F847-V891 WeakPolarHBondContact CA-O 3.37Å; A848-V891 HydrophobicContact CB-CB 3.94Å; A848-V891 HydrophobicContact CB-CG1 3.96Å; A848-V891 PolarHBondContact N-O 2.79Å; P851-V891 HydrophobicContact CB-CB 4.21Å; P851-V891 HydrophobicContact CB-CG2 3.69Å; I854-V891 HydrophobicContact CB-CG1 4.44Å; I854-V891 HydrophobicContact CB-CG2 4.29Å; I854-V891 HydrophobicContact CD1-CG1 3.95Å; I854-V891 HydrophobicContact CG2-CG1 4Å; I854-V891 HydrophobicContact CG2-CG2 4.4Å; V855-V891 HydrophobicContact CG2-CG2 3.88Å; V891-L893 HydrophobicContact CG1-CD1 3.9Å; V891-V903 HydrophobicContact CG1-CG1 4.42Å; V891-F904 WeakPolarHBondContact CA-O 3.48Å; V891-I905 HydrophobicContact CG2-CD1 4.47Å; V891-I905 HydrophobicContact CG2-CG1 4.18Å
892	L	94.8	Very high	76.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.7	-174.9	166.3	63.9	0	0	0	109.5	I498 V801 V809 I811 I835 F847 F904	I498-L892 HydrophobicContact CD1-CD2 3.92Å; V801-L892 HydrophobicContact CG1-CD1 4.48Å; V801-L892 HydrophobicContact CG2-CD1 3.81Å; V809-L892 HydrophobicContact CG1-CD2 4.14Å; I811-L892 HydrophobicContact CD1-CD2 4.07Å; I835-L892 HydrophobicContact CD1-CD2 4.26Å; F847-L892 HydrophobicContact CD1-CB 4.32Å; F847-L892 HydrophobicContact CE1-CB 4.35Å; L892-F904 HydrophobicContact CB-CB 4.25Å; L892-F904 PolarHBondContact N-O 3.1Å; L892-F904 WeakPolarHBondContact O-CA 3.43Å; L892-F904 WeakPolarHBondContact O-CB 3.24Å; L892-F904 WeakPolarHBondContact O-CD2 3.38Å; L892-F904 PolarHBondContact O-N 3.34Å
893	L	96.8	Very high	79.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.6	170.7	-76.2	72	0	0	0	109.5	M515 F517 L524 F594 A845 V846 V891 K902 V903	M515-L893 HydrophobicContact CE-CB 4.42Å; F517-L893 HydrophobicContact CE2-CD1 4.06Å; F517-L893 HydrophobicContact CE2-CD2 4.25Å; F517-L893 HydrophobicContact CZ-CD1 3.72Å; F517-L893 HydrophobicContact CZ-CD2 3.83Å; F517-L893 HydrophobicContact CZ-CG 4.37Å; L524-L893 HydrophobicContact CD1-CD2 4.26Å; L524-L893 HydrophobicContact CD2-CD2 3.47Å; L524-L893 VanDerWaalsContact CD2-CD2 3.47Å; L524-L893 HydrophobicContact CG-CD2 4.42Å; F594-L893 HydrophobicContact CE2-CD2 4.02Å; F594-L893 HydrophobicContact CZ-CD2 4Å; A845-L893 CarbonylContact C-O 3.6Å; A845-L893 VanDerWaalsContact CA-O 3.31Å; A845-L893 WeakPolarHBondContact CA-O 3.3Å; V846-L893 HydrophobicContact CG2-CB 4.33Å; V846-L893 PolarHBondContact N-O 2.63Å; V846-L893 PolarHBondContact O-N 2.86Å; V891-L893 HydrophobicContact CG1-CD1 3.9Å; L893-K902 WeakPolarHBondContact CA-O 3.4Å; L893-V903 HydrophobicContact CD1-CG1 4.01Å; L893-V903 HydrophobicContact CD2-CG2 4.29Å; L893-V903 HydrophobicContact CG-CB 4.45Å; L893-V903 HydrophobicContact CG-CG1 4.27Å; L893-V903 HydrophobicContact CG-CG2 4.17Å
894	S	97.3	Very high	82.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.6	172.4	62.9	0	0	0	0	112.2	A837 H838 S844 K902 F904	A837-S894 WeakPolarHBondContact CB-OG 3.29Å; H838-S894 PolarHBondContact NE2-O 2.72Å; H838-S894 PolarHBondContact NE2-OG 2.92Å; S844-S894 CarbonylContact O-C 3.52Å; S844-S894 WeakPolarHBondContact O-CA 3.2Å; S894-K902 PolarHBondContact N-O 3.17Å; S894-K902 VanDerWaalsContact N-O 3.08Å; S894-K902 PolarHBondContact O-N 2.85Å; S894-F904 WeakPolarHBondContact OG-CE2 3.08Å
895	A	97.2	Very high	85.5	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.4	-179	0	0	0	0	0	111.9	V512 M515 V842 T843 S844 A900 I901	V512-A895 HydrophobicContact CB-CB 3.84Å; V512-A895 HydrophobicContact CG1-CB 3.78Å; V512-A895 HydrophobicContact CG2-CB 4.47Å; M515-A895 HydrophobicContact CE-CB 3.82Å; M515-A895 HydrophobicContact CG-CB 4.35Å; M515-A895 HydrophobicContact SD-CB 3.65Å; V842-A895 WeakPolarHBondContact CG1-O 3.3Å; T843-A895 PolarHBondContact N-O 3.38Å; T843-A895 PolarHBondContact OG1-O 3.26Å; S844-A895 PolarHBondContact N-O 3.07Å; S844-A895 PolarHBondContact O-N 2.91Å; A895-A900 CarbonylContact C-O 3.54Å; A895-A900 WeakPolarHBondContact CA-O 3.39Å; A895-A900 WeakPolarHBondContact CB-O 3.36Å; A895-I901 HydrophobicContact CB-CG1 3.82Å
896	D	94.8	Very high	88.1	Confident	5 Å²	5	25.9 Å²	25.9	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	177.4	-172	94.9	-8.4	0	0	0	115	V512 H838 A840 V841 T898 G899 A900	V512-D896 PolarHBondContact N-O 3.25Å; H838-D896 HydrophobicContact CB-CB 3.81Å; H838-D896 IonicContact CG-OD2 2.71Å; H838-D896 IonicContact ND1-OD2 3.76Å; A840-D896 WeakPolarHBondContact CB-OD2 3.49Å; A840-D896 PolarHBondContact N-OD2 2.85Å; V841-D896 CarbonylContact O-C 3.59Å; V841-D896 VanDerWaalsContact O-CA 3.28Å; V841-D896 WeakPolarHBondContact O-CA 3.47Å; V841-D896 WeakPolarHBondContact O-CB 3.21Å; D896-T898 PolarHBondContact O-N 3.46Å; D896-T898 WeakPolarHBondContact OD1-CA 3.47Å; D896-T898 WeakPolarHBondContact OD1-CB 3.39Å; D896-T898 PolarHBondContact OD1-N 3.04Å; D896-T898 PolarHBondContact OD1-OG1 3.29Å; D896-T898 PolarHBondContact OD2-OG1 3.43Å; D896-G899 PolarHBondContact O-N 3.07Å; D896-G899 PolarHBondContact OD1-N 3.48Å; D896-A900 PolarHBondContact N-O 2.91Å; D896-A900 WeakPolarHBondContact OD1-CB 3.11Å; D896-A900 PolarHBondContact OD1-N 3.19Å
897	F	92.5	Very high	90.1	Very high	54 Å²	54	23.8 Å²	23.8	24%	0.237	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	-178.7	-163.7	-82.6	0	0	0	114.4	G378 G510 A511 W513 A840 V841 T843	G378-F897 VanDerWaalsContact CA-CZ 3.49Å; G378-F897 WeakPolarHBondContact O-CE2 3.46Å; G510-F897 CarbonylContact C-O 3.57Å; A511-F897 WeakPolarHBondContact CA-O 3.5Å; A511-F897 HydrophobicContact CB-CB 4.44Å; A511-F897 HydrophobicContact CB-CD1 4.49Å; A511-F897 HydrophobicContact CB-CD2 4.05Å; A511-F897 HydrophobicContact CB-CE2 4.4Å; A511-F897 HydrophobicContact CB-CG 4.08Å; A511-F897 WeakPolarHBondContact CB-O 3.39Å; A511-F897 PolarHBondContact N-O 3.29Å; A511-F897 VanDerWaalsContact N-O 3.12Å; W513-F897 AromaticContact CH2-CD2 3.92Å; W513-F897 HydrophobicContact CH2-CD2 3.92Å; W513-F897 AromaticContact CH2-CE2 3.52Å; W513-F897 HydrophobicContact CH2-CE2 3.52Å; W513-F897 HydrophobicContact CH2-CZ 4.26Å; W513-F897 HydrophobicContact CZ3-CD2 4.04Å; W513-F897 HydrophobicContact CZ3-CE2 4.05Å; A840-F897 HydrophobicContact CB-CB 4.18Å; V841-F897 HydrophobicContact CB-CB 4.19Å; V841-F897 PolarHBondContact O-N 2.93Å; T843-F897 HydrophobicContact CG2-CB 4.28Å; T843-F897 HydrophobicContact CG2-CD2 4.33Å
898	T	92.9	Very high	90.9	Very high	85 Å²	85	22.1 Å²	22.1	52%	0.521	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-17.9	178.1	66.8	0	0	0	0	113.4	G510 A840 D896	G510-T898 WeakPolarHBondContact CA-O 2.95Å; G510-T898 PolarHBondContact N-O 3.06Å; A840-T898 HydrophobicContact CB-CG2 3.77Å; D896-T898 PolarHBondContact O-N 3.46Å; D896-T898 WeakPolarHBondContact OD1-CA 3.47Å; D896-T898 WeakPolarHBondContact OD1-CB 3.39Å; D896-T898 PolarHBondContact OD1-N 3.04Å; D896-T898 PolarHBondContact OD1-OG1 3.29Å; D896-T898 PolarHBondContact OD2-OG1 3.43Å
899	G	93.1	Very high	90.1	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	12%	0.124	C	C	.	.	S	Bend	trans	107.4	2	-172.2	0	0	0	0	0	113.6	G510 D896	G510-G899 WeakPolarHBondContact O-CA 3.3Å; G510-G899 PolarHBondContact O-N 3.35Å; D896-G899 PolarHBondContact O-N 3.07Å; D896-G899 PolarHBondContact OD1-N 3.48Å
900	A	94.8	Very high	88.5	Confident	10 Å²	10	31.1 Å²	31.1	8%	0.083	15%	0.148	C	C	.	.			trans	-70	137.8	177.3	0	0	0	0	0	111.2	S505 A895 D896	S505-A900 WeakPolarHBondContact OG-CA 3.48Å; S505-A900 WeakPolarHBondContact OG-CB 3.28Å; A895-A900 CarbonylContact C-O 3.54Å; A895-A900 WeakPolarHBondContact CA-O 3.39Å; A895-A900 WeakPolarHBondContact CB-O 3.36Å; D896-A900 PolarHBondContact N-O 2.91Å; D896-A900 WeakPolarHBondContact OD1-CB 3.11Å; D896-A900 PolarHBondContact OD1-N 3.19Å
901	I	96.4	Very high	88.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.3	176	-62.1	167.9	0	0	0	107.3	L504 H508 V512 M515 T526 W536 A895	L504-I901 HydrophobicContact CB-CB 4.01Å; L504-I901 HydrophobicContact CB-CG2 4.13Å; L504-I901 HydrophobicContact CD1-CG2 4.25Å; L504-I901 PolarHBondContact N-O 3Å; H508-I901 VanDerWaalsContact CD2-CD1 3.47Å; H508-I901 WeakPolarHBondContact CD2-CD1 3.4Å; V512-I901 HydrophobicContact CG2-CD1 4.21Å; V512-I901 HydrophobicContact CG2-CG1 4.22Å; M515-I901 HydrophobicContact SD-CG2 4.34Å; T526-I901 HydrophobicContact CG2-CD1 4.12Å; W536-I901 HydrophobicContact CZ2-CD1 3.94Å; A895-I901 HydrophobicContact CB-CG1 3.82Å
902	K	94.9	Very high	88.2	Confident	40 Å²	40	33.6 Å²	33.6	17%	0.174	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.2	-179.4	-73.7	174	-171.3	167.8	0	112.2	D503 A837 L893 S894 F904	D503-K902 HydrophobicContact CB-CG 4.36Å; D503-K902 WeakPolarHBondContact OD2-CE 3.46Å; A837-K902 WeakPolarHBondContact O-CD 3.46Å; A837-K902 PolarHBondContact O-NZ 2.8Å; L893-K902 WeakPolarHBondContact CA-O 3.4Å; S894-K902 PolarHBondContact N-O 3.17Å; S894-K902 VanDerWaalsContact N-O 3.08Å; S894-K902 PolarHBondContact O-N 2.85Å; K902-F904 HydrophobicContact CB-CD2 4.26Å; K902-F904 HydrophobicContact CB-CE2 3.41Å; K902-F904 VanDerWaalsContact CB-CE2 3.41Å; K902-F904 HydrophobicContact CB-CZ 3.8Å; K902-F904 HydrophobicContact CD-CZ 4.21Å; K902-F904 WeakPolarHBondContact O-CD2 3.4Å
903	V	94.8	Very high	87.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.4	175.7	-169.3	0	0	0	0	108.7	V500 V501 Q502 L504 P593 F594 V891 L893	V500-V903 WeakPolarHBondContact CA-O 3.12Å; V501-V903 HydrophobicContact CG2-CB 4.01Å; V501-V903 HydrophobicContact CG2-CG1 3.77Å; V501-V903 PolarHBondContact N-O 3.36Å; Q502-V903 HydrophobicContact CB-CB 4.1Å; Q502-V903 HydrophobicContact CB-CG2 4.03Å; Q502-V903 PolarHBondContact O-N 3.38Å; L504-V903 HydrophobicContact CD1-CG2 4.15Å; P593-V903 HydrophobicContact CG-CG1 4.19Å; F594-V903 HydrophobicContact CD2-CG2 3.91Å; F594-V903 HydrophobicContact CE2-CG1 4.3Å; F594-V903 HydrophobicContact CE2-CG2 4Å; V891-V903 HydrophobicContact CG1-CG1 4.42Å; L893-V903 HydrophobicContact CD1-CG1 4.01Å; L893-V903 HydrophobicContact CD2-CG2 4.29Å; L893-V903 HydrophobicContact CG-CB 4.45Å; L893-V903 HydrophobicContact CG-CG1 4.27Å; L893-V903 HydrophobicContact CG-CG2 4.17Å
904	F	92.9	Very high	87.3	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.1	-179.4	-59.4	-103.3	0	0	0	110.2	A481 I498 K499 V500 I835 A837 V891 L892 S894 K902	A481-F904 HydrophobicContact CB-CE1 4.22Å; I498-F904 HydrophobicContact CD1-CB 3.65Å; I498-F904 HydrophobicContact CD1-CD1 4.21Å; I498-F904 HydrophobicContact CD1-CG 4.21Å; I498-F904 HydrophobicContact CG1-CB 3.85Å; I498-F904 HydrophobicContact CG1-CD1 4.28Å; K499-F904 CarbonylContact O-C 3.48Å; K499-F904 WeakPolarHBondContact O-CA 3.47Å; V500-F904 HydrophobicContact CG2-CD1 3.88Å; V500-F904 HydrophobicContact CG2-CE1 3.45Å; V500-F904 VanDerWaalsContact CG2-CE1 3.45Å; V500-F904 HydrophobicContact CG2-CZ 3.98Å; I835-F904 HydrophobicContact CG2-CE1 4.44Å; A837-F904 HydrophobicContact CB-CE1 4.21Å; A837-F904 HydrophobicContact CB-CE2 3.97Å; A837-F904 HydrophobicContact CB-CZ 3.41Å; A837-F904 VanDerWaalsContact CB-CZ 3.41Å; V891-F904 WeakPolarHBondContact CA-O 3.48Å; L892-F904 HydrophobicContact CB-CB 4.25Å; L892-F904 PolarHBondContact N-O 3.1Å; L892-F904 WeakPolarHBondContact O-CA 3.43Å; L892-F904 WeakPolarHBondContact O-CB 3.24Å; L892-F904 WeakPolarHBondContact O-CD2 3.38Å; L892-F904 PolarHBondContact O-N 3.34Å; S894-F904 WeakPolarHBondContact OG-CE2 3.08Å; K902-F904 HydrophobicContact CB-CD2 4.26Å; K902-F904 HydrophobicContact CB-CE2 3.41Å; K902-F904 VanDerWaalsContact CB-CE2 3.41Å; K902-F904 HydrophobicContact CB-CZ 3.8Å; K902-F904 HydrophobicContact CD-CZ 4.21Å; K902-F904 WeakPolarHBondContact O-CD2 3.4Å
905	I	91.5	Very high	86.7	Confident	19 Å²	19	39.8 Å²	39.8	10%	0.097	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.6	171.7	-56.5	-171.6	0	0	0	109	K499 V501 V855 T889 E890 V891 V907	K499-I905 PolarHBondContact N-O 3.29Å; K499-I905 PolarHBondContact O-N 3.18Å; V501-I905 HydrophobicContact CB-CD1 4.38Å; V501-I905 HydrophobicContact CB-CG1 4.36Å; V501-I905 HydrophobicContact CG1-CB 3.91Å; V501-I905 HydrophobicContact CG1-CD1 3.94Å; V501-I905 HydrophobicContact CG1-CG1 3.74Å; V501-I905 HydrophobicContact CG2-CD1 3.83Å; V501-I905 HydrophobicContact CG2-CG1 3.71Å; V855-I905 HydrophobicContact CG2-CD1 4.31Å; V855-I905 HydrophobicContact CG2-CG2 4.32Å; T889-I905 HydrophobicContact CG2-CG2 3.47Å; T889-I905 VanDerWaalsContact CG2-CG2 3.47Å; E890-I905 WeakPolarHBondContact O-CA 3.28Å; V891-I905 HydrophobicContact CG2-CD1 4.47Å; V891-I905 HydrophobicContact CG2-CG1 4.18Å; I905-V907 HydrophobicContact CG2-CG2 3.93Å
906	N	89.3	Confident	86	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105.8	175.9	-179	57.1	0	0	0	109	D494 F495 I498 T889 E890	D494-N906 PolarHBondContact O-ND2 3.28Å; F495-N906 HydrophobicContact CD1-CB 3.93Å; F495-N906 WeakPolarHBondContact CD1-ND2 3.22Å; F495-N906 HydrophobicContact CE1-CB 4.37Å; I498-N906 HydrophobicContact CB-CB 4.14Å; I498-N906 HydrophobicContact CD1-CB 4.48Å; I498-N906 HydrophobicContact CG1-CB 4.02Å; I498-N906 PolarHBondContact N-OD1 3.1Å; T889-N906 WeakPolarHBondContact CA-O 3.31Å; E890-N906 HydrophobicContact CB-CB 4.35Å; E890-N906 PolarHBondContact N-O 3.4Å; E890-N906 PolarHBondContact O-N 3.02Å
907	V	82.1	Confident	85.3	Confident	52 Å²	52	45.1 Å²	45.1	32%	0.315	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	109	-179.1	-177	0	0	0	0	109	D887 T889 I905 K909	D887-V907 HydrophobicContact CB-CG1 4.49Å; T889-V907 HydrophobicContact CG2-CG2 3.78Å; I905-V907 HydrophobicContact CG2-CG2 3.93Å; V907-K909 HydrophobicContact CG1-CG 4.47Å
908	K	72.3	Confident	84.8	Confident	41 Å²	41	44.4 Å²	44.4	18%	0.178	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	97.4	-177.6	-162.9	174	-177.6	-162.1	0	111.2	D494 H888 Y910	D494-K908 IonicContact OD1-NZ 2.7Å; D494-K908 PolarHBondContact OD1-NZ 3.47Å; H888-K908 PolarHBondContact N-O 2.83Å; H888-K908 WeakPolarHBondContact O-CB 3.35Å; H888-K908 PolarHBondContact O-N 3.22Å; K908-Y910 HydrophobicContact CB-CE2 4.3Å; K908-Y910 HydrophobicContact CD-CE2 3.94Å; K908-Y910 WeakPolarHBondContact CD-OH 3.48Å; K908-Y910 WeakPolarHBondContact CE-OH 3.45Å; K908-Y910 HydrophobicContact CG-CD2 4.46Å; K908-Y910 HydrophobicContact CG-CE2 3.95Å; K908-Y910 PolarHBondContact NZ-OH 3.16Å; K908-Y910 WeakPolarHBondContact O-CD2 3.36Å
909	K	56.1	Low	84.1	Confident	160 Å²	160	41 Å²	41	70%	0.696	19%	0.186	S	C	*	.			trans	-73.6	127.4	174.6	-59.9	-168.9	174.6	-169	0	110.6	D887 V907	D887-K909 WeakPolarHBondContact OD1-CA 3.31Å; V907-K909 HydrophobicContact CG1-CG 4.47Å
910	Y	51.3	Low	83.3	Confident	162 Å²	162	44.5 Å²	44.5	64%	0.635	20%	0.201	S	C	*	.			trans	-113.6	0	178.9	-76.4	-79.9	0	0	0	111.7	K885 H888 K908	K885-Y910 WeakPolarHBondContact CD-O 3.37Å; K885-Y910 WeakPolarHBondContact CE-O 3.46Å; K885-Y910 PolarHBondContact NZ-O 2.93Å; K885-Y910 PolarHBondContact NZ-OXT 3.34Å; H888-Y910 HydrophobicContact CB-CE2 4.08Å; H888-Y910 AromaticContact CD2-CD2 3.96Å; H888-Y910 AromaticContact CD2-CE2 3.67Å; K908-Y910 HydrophobicContact CB-CE2 4.3Å; K908-Y910 HydrophobicContact CD-CE2 3.94Å; K908-Y910 WeakPolarHBondContact CD-OH 3.48Å; K908-Y910 WeakPolarHBondContact CE-OH 3.45Å; K908-Y910 HydrophobicContact CG-CD2 4.46Å; K908-Y910 HydrophobicContact CG-CE2 3.95Å; K908-Y910 PolarHBondContact NZ-OH 3.16Å; K908-Y910 WeakPolarHBondContact O-CD2 3.36Å

Retrieved 910 of 910 residues in 631.8 ms (Link to these results)

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