A0A087XSH8_POEFO Loading...

Neuroligin 2a

AlphaFold DB , UniProt , Accession A0A087XSH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 862 aa.

						>A0A087XSH8_POEFO|A0A087XSH8
MVFPPHRRTELTEQTRSRWLSPLTPAMNNLPLPLSKRSRRGLLPRTRPFSFVTDCCLMTVLSLVLFFSLASCQRMDPSKHPIVSTNYGKLRGVKKDLNNEILGPVEQYLGVPYATAPIGDRRFQPPEAPGSWQEIRNATQFAPVCPQNVHGVLPEIMLPVWFTDNLDVAAGYIQNQSEDCLYLNIYVPTEDGPLTKKTDESSMNKPRDEDIRDRRKKPVMLFIHGGSYMEGTGNMFDASVLAAYGNVIVVTMNYRLGVLGFLSTGDQSAKGNYGLLDQIQALRWLNENIGHFGGDPERITIFGSGAGASCVNLLILSHHSEGLFHRAIAQSGTAISSWSVNYQPLKYTKNLARKVGCTYSETADLVDCLRRKTFRELVDQDIQPARYHIAFGPVVDGDVVPDDPEILMQQGEFLNYDILIGVNQGEGLKFVDDSEDNDGISAAAFDYTISNFVDNLYGYPEGKDILRETIKFMYTDWADRDNGDMRRKTLLALFTDHQWVAPAVATAKLHAEFQSPVYFYTFYHHCQTETRPEWADAAHGDEIPYVFGVPMIGATDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNLPVPQDTKFIHTKPNRFEEVIWTKFNPKDKQYLHIGLKPRVRDNYRANKVAFWLELVPHLHTINGIFPTTTRSPSGPGPGPDTYRPRPRTPGPRTTPHPYSTFTSDPETEGSDRPIQDLFPGDTRDYSTELSVTVAVGASLLFLNILAFAALYYKRDKRHEMRRHRLSPQRGVPANDLAHSQEEEIMSLQMKHSEHDAHHDLEPLRPHDILRPACPPDYTLALRRAPDDVPLMTPNTITMIPSTITSMQPLHAFNTFPSTGHNNTLPHPHSTTRV
					

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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	33.7	Very low	33.7	Very low	249 Å²	249	170.4 Å²	170.4	100%	1.227	84%	0.841	S	S	*	*				0	179.5	0	-72.7	-179.2	177.3	0	0	109.2
2	V	28.1	Very low	33.3	Very low	129 Å²	129	165.2 Å²	165.2	78%	0.782	83%	0.826	S	S	*	*			trans	-121.3	111.3	-157.1	170.5	0	0	0	0	112.3
3	F	26.5	Very low	33	Very low	193 Å²	193	165.2 Å²	165.2	85%	0.846	82%	0.822	S	S	*	*			trans	51.5	-175	155.5	-78.8	-88	0	0	0	118.1
4	P	44.7	Very low	32.6	Very low	118 Å²	118	163.5 Å²	163.5	77%	0.766	81%	0.811	S	S	*	*			cis	-123.5	177.8	-24.8	18.8	5	0	0	0	114.1
5	P	62.8	Low	32.3	Very low	109 Å²	109	161.3 Å²	161.3	71%	0.708	81%	0.81	S	S	*	*			trans	-107.7	154.6	176.7	39.1	-32.8	0	0	0	115.4
6	H	29.2	Very low	32.1	Very low	177 Å²	177	165.3 Å²	165.3	82%	0.819	81%	0.812	S	S	*	*			trans	-159.6	167.1	172.2	-99.8	26.7	0	0	0	109.6
7	R	29.3	Very low	31.9	Very low	224 Å²	224	161.2 Å²	161.2	85%	0.845	80%	0.804	S	S	*	*			cis	-170.9	162.7	-40.3	-125.7	-174.2	-176.3	-157.3	3.6	106
8	R	32.1	Very low	31.7	Very low	220 Å²	220	163.6 Å²	163.6	83%	0.83	80%	0.802	S	S	*	*			trans	-74.1	152.7	176.5	-66.5	-176	-176.7	177.9	0.7	113.2
9	T	29	Very low	31.5	Very low	144 Å²	144	166.6 Å²	166.6	88%	0.883	80%	0.804	S	S	*	*			trans	-142.5	160.9	148	26.5	0	0	0	0	109.6
10	E	27.1	Very low	31.4	Very low	152 Å²	152	166.9 Å²	166.9	71%	0.71	81%	0.809	S	S	*	*			trans	-125.3	-169.2	-171.1	-61.7	177.9	140.2	0	0	111.6
11	L	28.3	Very low	31.3	Very low	159 Å²	159	164.1 Å²	164.1	83%	0.832	81%	0.806	S	S	*	*			trans	81.4	137.6	174.6	-49.9	134.5	0	0	0	114.8
12	T	29.1	Very low	31.7	Very low	108 Å²	108	158.1 Å²	158.1	66%	0.663	79%	0.786	S	S	*	*			cis	-163.3	144.6	-4	10	0	0	0	0	111.5
13	E	28.5	Very low	31.7	Very low	165 Å²	165	160 Å²	160	77%	0.771	79%	0.791	S	S	*	*			trans	53.4	160.1	151	-64.3	-163.2	100.6	0	0	120.1
14	Q	27.4	Very low	31.9	Very low	142 Å²	142	157.3 Å²	157.3	66%	0.664	79%	0.79	S	S	*	*			cis	-157.1	142.1	14.9	-147.7	171.5	54.5	0	0	112.8
15	T	29.4	Very low	32.2	Very low	130 Å²	130	158 Å²	158	80%	0.798	80%	0.795	S	S	*	*			trans	60.8	157.2	170.1	60.1	0	0	0	0	117.8
16	R	28.8	Very low	30.6	Very low	225 Å²	225	157.8 Å²	157.8	85%	0.849	80%	0.803	S	S	*	*			cis	-151.5	150.1	15.5	-145.3	176.8	-166.5	179.7	4.8	110.8
17	S	27.8	Very low	30.6	Very low	97 Å²	97	157.3 Å²	157.3	68%	0.678	80%	0.803	S	S	*	*			trans	-1.4	145.1	159.9	63.9	0	0	0	0	119.8
18	R	29.2	Very low	30.7	Very low	204 Å²	204	152.8 Å²	152.8	77%	0.77	80%	0.795	S	S	*	*			cis	-178.1	157.1	42.2	-145.2	172.4	-176	-171	2.3	112
19	W	28.4	Very low	30.6	Very low	221 Å²	221	148.3 Å²	148.3	84%	0.837	79%	0.788	S	S	*	*			trans	69.8	136	165.9	-61.2	116.8	0	0	0	119.5
20	L	28.5	Very low	30.5	Very low	172 Å²	172	148.6 Å²	148.6	90%	0.901	78%	0.783	S	S	*	*			trans	-138.1	149.4	177.6	-95.6	165.6	0	0	0	109.9
21	S	28.7	Very low	31.5	Very low	108 Å²	108	146.7 Å²	146.7	76%	0.755	78%	0.784	S	S	*	*			trans	-88.5	-167.9	167.9	-34.3	0	0	0	0	110.3
22	P	43.6	Very low	31.6	Very low	123 Å²	123	146.6 Å²	146.6	80%	0.799	78%	0.784	S	S	*	*			cis	-119.2	-168.1	-39.6	31.7	-13.3	0	0	0	110.5
23	L	28.4	Very low	32.4	Very low	170 Å²	170	146.6 Å²	146.6	89%	0.89	79%	0.785	S	S	*	*			trans	-135.1	146.6	172.7	-88.5	169.9	0	0	0	113.3
24	T	29.7	Very low	32.5	Very low	135 Å²	135	145.8 Å²	145.8	83%	0.828	79%	0.786	S	S	*	*			trans	-126.1	161.5	172.3	43.2	0	0	0	0	110.6
25	P	51.6	Low	32.5	Very low	132 Å²	132	144.8 Å²	144.8	86%	0.857	79%	0.794	S	S	*	*			trans	-100.5	164	-157.1	38	-36.5	0	0	0	116.5
26	A	28.3	Very low	32.5	Very low	106 Å²	106	147.1 Å²	147.1	88%	0.876	79%	0.793	S	S	*	*			trans	-147.3	174.8	170	0	0	0	0	0	111.8
27	M	28.9	Very low	32.6	Very low	167 Å²	167	148.2 Å²	148.2	82%	0.823	80%	0.797	S	S	*	*			trans	-113.7	167.6	-157	-48.5	169.5	92.2	0	0	116.7
28	N	31.8	Very low	32.6	Very low	128 Å²	128	148 Å²	148	68%	0.684	80%	0.796	S	S	*	*			trans	98.1	127.7	139.8	-71.6	-19.2	0	0	0	124.3
29	N	30.1	Very low	32.6	Very low	126 Å²	126	149.4 Å²	149.4	67%	0.674	80%	0.801	S	S	*	*			trans	81.9	105.7	134.9	-65.9	-14.1	0	0	0	125.2
30	L	27.7	Very low	32.6	Very low	151 Å²	151	151.1 Å²	151.1	79%	0.791	81%	0.807	S	S	*	*				64.1	164	121.2	-70.8	161.9	0	0	0	121.3
31	P	47.7	Very low	32.9	Very low	111 Å²	111	146.2 Å²	146.2	72%	0.721	80%	0.799	S	S	*	*			cis	-135.8	175.1	-17.5	34.4	-13.6	0	0	0	117.5
32	L	30.6	Very low	33	Very low	158 Å²	158	149.5 Å²	149.5	83%	0.827	81%	0.807	S	S	*	*			trans	-4.6	161.3	147.6	-74.7	164.6	0	0	0	121.6
33	P	46.5	Very low	32.5	Very low	107 Å²	107	151.1 Å²	151.1	70%	0.695	81%	0.808	S	S	*	*			cis	-157.9	176	43.8	45.5	-23.6	0	0	0	122.7
34	L	29.3	Very low	33.8	Very low	149 Å²	149	148.2 Å²	148.2	78%	0.78	80%	0.799	S	S	*	*			trans	68.8	118.9	142.4	-82.8	163.1	0	0	0	124.4
35	S	27.5	Very low	33.8	Very low	121 Å²	121	153.8 Å²	153.8	85%	0.846	81%	0.805	S	S	*	*				-161.3	171.3	120.4	-165.4	0	0	0	0	111.8
36	K	30.6	Very low	33.5	Very low	179 Å²	179	153.8 Å²	153.8	78%	0.778	80%	0.803	S	S	*	*			trans	-141.5	161.7	-172.4	-79.5	-178.2	176.2	175	0	113.8
37	R	28.9	Very low	33.9	Very low	247 Å²	247	160.2 Å²	160.2	93%	0.932	81%	0.805	S	S	*	*			trans	96.8	158.2	164.3	-63.8	177.1	164.2	177.8	-3.9	116.6
38	S	28	Very low	34.8	Very low	93 Å²	93	157.6 Å²	157.6	65%	0.65	80%	0.8	S	S	*	*			cis	-179.2	138.8	-32.4	-173.9	0	0	0	0	109.8
39	R	30.7	Very low	35.4	Very low	233 Å²	233	161 Å²	161	88%	0.879	81%	0.809	S	S	*	*			trans	38.5	117.7	157.7	-66.7	178.5	179.5	-168.2	-0.5	119.3
40	R	28.6	Very low	36.3	Very low	257 Å²	257	158.2 Å²	158.2	97%	0.97	80%	0.8	S	S	*	*				-170.3	154.1	105.1	-99	162.5	-176.6	-178.5	1.1	108.8
41	G	34.7	Very low	37.3	Very low	70 Å²	70	159.7 Å²	159.7	72%	0.722	80%	0.8	S	S	*	*			trans	-129	158.9	176.7	0	0	0	0	0	111
42	L	29.9	Very low	37.5	Very low	176 Å²	176	159.1 Å²	159.1	92%	0.921	79%	0.794	S	S	*	*			trans	-167.9	129.4	160	-107.5	158.3	0	0	0	109.6
43	L	33.3	Very low	38.6	Very low	158 Å²	158	155.9 Å²	155.9	83%	0.827	78%	0.781	S	S	*	*			trans	-81.6	168	159.1	-82	161.1	0	0	0	109
44	P	54.7	Low	39	Very low	108 Å²	108	155.3 Å²	155.3	70%	0.701	77%	0.772	S	S	*	*			cis	-128.2	173.8	-22.1	36.9	-22.5	0	0	0	112.5
45	R	31.2	Very low	40.2	Very low	252 Å²	252	151.8 Å²	151.8	95%	0.951	76%	0.759	S	S	*	*			trans	-150.2	122.1	145.4	-136.6	171.8	-172.7	169.1	2.8	111.6
46	T	44.4	Very low	41.9	Very low	133 Å²	133	149.4 Å²	149.4	82%	0.816	74%	0.742	S	S	*	*			trans	-88	135	-176.3	41	0	0	0	0	112.1
47	R	36.4	Very low	43.6	Very low	241 Å²	241	146.3 Å²	146.3	91%	0.909	73%	0.733	S	S	*	*			trans	-143.2	146.4	143.5	-77.9	-157.6	168.7	178.9	-3.8	109.1
48	P	49.3	Very low	45.6	Very low	112 Å²	112	140.7 Å²	140.7	73%	0.727	72%	0.719	S	S	*	*			trans	-88.8	150.3	-173.7	35.4	-35.2	0	0	0	112.4
49	F	44.3	Very low	47.7	Very low	200 Å²	200	140 Å²	140	88%	0.877	71%	0.711	S	S	*	*			trans	174.9	106	136.7	-102.8	-69.8	0	0	0	109.3
50	S	47.6	Very low	50.1	Low	67 Å²	67	133 Å²	133	47%	0.469	69%	0.694	S	S	.	*			trans	-150.3	-8.1	172.3	-162.2	0	0	0	0	114.4	V52 T53	S50-V52 VanDerWaalsContact C-N 3.31Å; S50-V52 PolarHBondContact O-N 2.99Å; S50-T53 PolarHBondContact O-OG1 3.3Å
51	F	48.3	Very low	52.5	Low	182 Å²	182	125.5 Å²	125.5	80%	0.798	67%	0.672	S	S	*	*	H	α-helix	trans	-69.7	-22.3	-173.9	-102.7	-87.4	0	0	0	114.8	C55	F51-C55 WeakPolarHBondContact O-CB 3.42Å; F51-C55 PolarHBondContact O-SG 3.06Å; F51-C55 VanDerWaalsContact O-SG 3.39Å
52	V	53.7	Low	54.4	Low	98 Å²	98	125.5 Å²	125.5	59%	0.594	66%	0.661	S	S	*	*	H	α-helix	trans	-80.7	-39.2	-177	-174.8	0	0	0	0	111.3	S50 C56	S50-V52 VanDerWaalsContact C-N 3.31Å; S50-V52 PolarHBondContact O-N 2.99Å; V52-C56 PolarHBondContact O-N 3.49Å; V52-C56 PolarHBondContact O-SG 3.47Å
53	T	53.2	Low	56.7	Low	91 Å²	91	121.7 Å²	121.7	56%	0.558	64%	0.641	S	S	*	*	H	α-helix	trans	-67.5	-44.4	-178.6	35.8	0	0	0	0	112.5	S50 C56 L57	S50-T53 PolarHBondContact O-OG1 3.3Å; T53-C56 PolarHBondContact O-N 3.16Å; T53-L57 PolarHBondContact O-N 3.39Å
54	D	54.3	Low	58.8	Low	95 Å²	95	118.4 Å²	118.4	51%	0.508	63%	0.628	S	S	.	*	H	α-helix	trans	-69.8	-36.8	-179.5	-62.1	-38.8	0	0	0	111.6	L57 M58	D54-L57 PolarHBondContact O-N 2.98Å; D54-M58 WeakPolarHBondContact O-CB 3.35Å; D54-M58 WeakPolarHBondContact O-CG 3.49Å; D54-M58 PolarHBondContact O-N 3.48Å
55	C	55.9	Low	59.7	Low	75 Å²	75	118.3 Å²	118.3	51%	0.507	62%	0.621	S	S	.	*	H	α-helix	trans	-62.2	-44.4	171.1	-78.3	0	0	0	0	112.3	F51 M58 T59	F51-C55 WeakPolarHBondContact O-CB 3.42Å; F51-C55 PolarHBondContact O-SG 3.06Å; F51-C55 VanDerWaalsContact O-SG 3.39Å; C55-M58 PolarHBondContact O-N 3.06Å; C55-T59 WeakPolarHBondContact O-CG2 3.39Å; C55-T59 PolarHBondContact O-N 2.94Å; C55-T59 PolarHBondContact O-OG1 2.81Å
56	C	62.4	Low	61.5	Low	71 Å²	71	113.7 Å²	113.7	48%	0.48	61%	0.608	S	S	.	*	H	α-helix	trans	-62.1	-43.9	174.7	-77.7	0	0	0	0	112.4	V52 T53 M58 T59 V60	V52-C56 PolarHBondContact O-N 3.49Å; V52-C56 PolarHBondContact O-SG 3.47Å; T53-C56 PolarHBondContact O-N 3.16Å; C56-M58 VanDerWaalsContact C-N 3.34Å; C56-M58 PolarHBondContact O-N 3.31Å; C56-T59 PolarHBondContact O-N 3.19Å; C56-T59 PolarHBondContact O-OG1 3.34Å; C56-T59 VanDerWaalsContact O-OG1 3.06Å; C56-V60 WeakPolarHBondContact O-CG2 3.38Å; C56-V60 PolarHBondContact O-N 2.91Å
57	L	66.7	Low	62.3	Low	114 Å²	114	114.5 Å²	114.5	60%	0.597	60%	0.6	S	S	*	*	H	α-helix	trans	-64.5	-41.5	-179.9	-158.3	77.8	0	0	0	111.3	T53 D54 V60 L61	T53-L57 PolarHBondContact O-N 3.39Å; D54-L57 PolarHBondContact O-N 2.98Å; L57-V60 PolarHBondContact O-N 3.49Å; L57-L61 HydrophobicContact CG-CD1 4.48Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 3.47Å
58	M	69.3	Low	63.4	Low	128 Å²	128	106 Å²	106	63%	0.631	58%	0.578	S	S	*	*	H	α-helix	trans	-65.7	-42	174.8	-74.8	-65.5	-163	0	0	112.6	D54 C55 C56 V60 L61 S62	D54-M58 WeakPolarHBondContact O-CB 3.35Å; D54-M58 WeakPolarHBondContact O-CG 3.49Å; D54-M58 PolarHBondContact O-N 3.48Å; C55-M58 PolarHBondContact O-N 3.06Å; C56-M58 VanDerWaalsContact C-N 3.34Å; C56-M58 PolarHBondContact O-N 3.31Å; M58-V60 PolarHBondContact O-N 2.95Å; M58-L61 PolarHBondContact O-N 3.4Å; M58-S62 WeakPolarHBondContact O-CB 3.34Å; M58-S62 PolarHBondContact O-N 2.84Å; M58-S62 PolarHBondContact O-OG 3.19Å
59	T	73.5	Confident	63.7	Low	80 Å²	80	106.2 Å²	106.2	49%	0.491	57%	0.572	S	S	.	*	H	α-helix	trans	-67.3	-35.3	177	53.7	0	0	0	0	112.3	C55 C56 L63	C55-T59 WeakPolarHBondContact O-CG2 3.39Å; C55-T59 PolarHBondContact O-N 2.94Å; C55-T59 PolarHBondContact O-OG1 2.81Å; C56-T59 PolarHBondContact O-N 3.19Å; C56-T59 PolarHBondContact O-OG1 3.34Å; C56-T59 VanDerWaalsContact O-OG1 3.06Å; T59-L63 VanDerWaalsContact O-CB 3.26Å; T59-L63 WeakPolarHBondContact O-CB 3.32Å; T59-L63 WeakPolarHBondContact O-CG 3.26Å; T59-L63 PolarHBondContact O-N 3.35Å
60	V	80.1	Confident	63.9	Low	86 Å²	86	100 Å²	100	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-43.9	172.7	174.1	0	0	0	0	111.2	C56 L57 M58 L63 V64	C56-V60 WeakPolarHBondContact O-CG2 3.38Å; C56-V60 PolarHBondContact O-N 2.91Å; L57-V60 PolarHBondContact O-N 3.49Å; M58-V60 PolarHBondContact O-N 2.95Å; V60-L63 PolarHBondContact O-N 3.47Å; V60-V64 HydrophobicContact CG1-CG2 4.46Å; V60-V64 WeakPolarHBondContact O-CG2 3.34Å; V60-V64 PolarHBondContact O-N 2.84Å
61	L	78.8	Confident	63.7	Low	98 Å²	98	101.3 Å²	101.3	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-62.2	-43.8	174.9	-88.6	160.3	0	0	0	112.2	L57 M58 V64 L65	L57-L61 HydrophobicContact CG-CD1 4.48Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 3.47Å; M58-L61 PolarHBondContact O-N 3.4Å; L61-V64 PolarHBondContact O-N 3.38Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 PolarHBondContact O-N 2.81Å
62	S	74.3	Confident	63.5	Low	70 Å²	70	97.1 Å²	97.1	49%	0.49	56%	0.559	S	S	.	*	H	α-helix	trans	-65.8	-35.6	174.5	-67.2	0	0	0	0	112.8	M58 L65 F66	M58-S62 WeakPolarHBondContact O-CB 3.34Å; M58-S62 PolarHBondContact O-N 2.84Å; M58-S62 PolarHBondContact O-OG 3.19Å; S62-L65 PolarHBondContact O-N 2.93Å; S62-F66 WeakPolarHBondContact O-CB 3.25Å; S62-F66 PolarHBondContact O-N 2.79Å
63	L	79.2	Confident	63.2	Low	96 Å²	96	100.2 Å²	100.2	50%	0.503	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-43	173.1	-84.3	163.4	0	0	0	111.6	T59 V60 L65 F66 F67	T59-L63 VanDerWaalsContact O-CB 3.26Å; T59-L63 WeakPolarHBondContact O-CB 3.32Å; T59-L63 WeakPolarHBondContact O-CG 3.26Å; T59-L63 PolarHBondContact O-N 3.35Å; V60-L63 PolarHBondContact O-N 3.47Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 PolarHBondContact O-N 3.28Å; L63-F66 PolarHBondContact O-N 2.82Å; L63-F67 HydrophobicContact CD2-CE2 4.23Å; L63-F67 WeakPolarHBondContact O-CB 3.45Å; L63-F67 VanDerWaalsContact O-CD2 3.25Å; L63-F67 WeakPolarHBondContact O-CD2 3.21Å; L63-F67 PolarHBondContact O-N 3.45Å
64	V	78.3	Confident	62.9	Low	90 Å²	90	107.7 Å²	107.7	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-63.3	-38.3	174.4	170.4	0	0	0	0	110.9	V60 L61 S68	V60-V64 HydrophobicContact CG1-CG2 4.46Å; V60-V64 WeakPolarHBondContact O-CG2 3.34Å; V60-V64 PolarHBondContact O-N 2.84Å; L61-V64 PolarHBondContact O-N 3.38Å; V64-S68 WeakPolarHBondContact O-CB 3.39Å; V64-S68 PolarHBondContact O-N 2.83Å; V64-S68 PolarHBondContact O-OG 2.89Å
65	L	73.3	Confident	62.9	Low	105 Å²	105	108.2 Å²	108.2	55%	0.55	59%	0.586	S	S	.	*	H	α-helix	trans	-65.7	-41.2	171.4	-123.7	77.2	0	0	0	112.3	L61 S62 L63 S68 L69	L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 PolarHBondContact O-N 2.81Å; S62-L65 PolarHBondContact O-N 2.93Å; L63-L65 VanDerWaalsContact C-N 3.31Å; L63-L65 PolarHBondContact O-N 3.28Å; L65-S68 PolarHBondContact O-N 3.25Å; L65-S68 PolarHBondContact O-OG 2.9Å; L65-S68 VanDerWaalsContact O-OG 3.06Å; L65-L69 VanDerWaalsContact O-CB 3.25Å; L65-L69 WeakPolarHBondContact O-CB 3.12Å; L65-L69 WeakPolarHBondContact O-CD1 3.25Å; L65-L69 WeakPolarHBondContact O-CG 3.41Å; L65-L69 PolarHBondContact O-N 3.06Å
66	F	67.4	Low	63.2	Low	155 Å²	155	108.1 Å²	108.1	68%	0.68	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-39.8	176.5	-113.1	-91.5	0	0	0	111.9	S62 L63 A70	S62-F66 WeakPolarHBondContact O-CB 3.25Å; S62-F66 PolarHBondContact O-N 2.79Å; L63-F66 PolarHBondContact O-N 2.82Å; F66-A70 WeakPolarHBondContact O-CB 3.13Å; F66-A70 PolarHBondContact O-N 2.89Å
67	F	62.5	Low	63.2	Low	151 Å²	151	110 Å²	110	66%	0.662	59%	0.592	S	S	*	*	H	α-helix	trans	-71.5	-34.5	175.7	-83.8	-67.2	0	0	0	112.3	L63 S71	L63-F67 HydrophobicContact CD2-CE2 4.23Å; L63-F67 WeakPolarHBondContact O-CB 3.45Å; L63-F67 VanDerWaalsContact O-CD2 3.25Å; L63-F67 WeakPolarHBondContact O-CD2 3.21Å; L63-F67 PolarHBondContact O-N 3.45Å; F67-S71 WeakPolarHBondContact O-CB 3.43Å; F67-S71 PolarHBondContact O-N 3.44Å
68	S	58.6	Low	63.3	Low	63 Å²	63	108.1 Å²	108.1	44%	0.441	59%	0.588	S	S	.	*	H	α-helix	trans	-70.8	-40	173.1	67.3	0	0	0	0	112.1	V64 L65 S71 C72	V64-S68 WeakPolarHBondContact O-CB 3.39Å; V64-S68 PolarHBondContact O-N 2.83Å; V64-S68 PolarHBondContact O-OG 2.89Å; L65-S68 PolarHBondContact O-N 3.25Å; L65-S68 PolarHBondContact O-OG 2.9Å; L65-S68 VanDerWaalsContact O-OG 3.06Å; S68-S71 PolarHBondContact O-N 3.16Å; S68-C72 PolarHBondContact O-N 3.28Å; S68-C72 VanDerWaalsContact O-N 3.16Å
69	L	55.3	Low	64	Low	115 Å²	115	107.8 Å²	107.8	60%	0.602	58%	0.583	S	S	*	*	H	α-helix	trans	-68.8	-31.9	173.7	-71.3	166.4	0	0	0	113	L65 C72	L65-L69 VanDerWaalsContact O-CB 3.25Å; L65-L69 WeakPolarHBondContact O-CB 3.12Å; L65-L69 WeakPolarHBondContact O-CD1 3.25Å; L65-L69 WeakPolarHBondContact O-CG 3.41Å; L65-L69 PolarHBondContact O-N 3.06Å; L69-C72 WeakPolarHBondContact O-CB 3.45Å
70	A	50.1	Low	64.8	Low	70 Å²	70	106.2 Å²	106.2	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-78.3	-26.7	171.8	0	0	0	0	0	112.7	F66 C72	F66-A70 WeakPolarHBondContact O-CB 3.13Å; F66-A70 PolarHBondContact O-N 2.89Å; A70-C72 PolarHBondContact O-N 3.46Å
71	S	42.7	Very low	65.5	Low	94 Å²	94	102.9 Å²	102.9	66%	0.657	55%	0.55	S	S	*	*	H	α-helix	trans	-74.8	-10.6	171.6	-164.6	0	0	0	0	112.8	F67 S68 Q73	F67-S71 WeakPolarHBondContact O-CB 3.43Å; F67-S71 PolarHBondContact O-N 3.44Å; S68-S71 PolarHBondContact O-N 3.16Å; S71-Q73 PolarHBondContact O-N 3.14Å
72	C	43	Very low	66.3	Low	95 Å²	95	102.2 Å²	102.2	64%	0.642	55%	0.546	S	S	*	.	S	Bend	trans	-67.9	67.7	152.8	-66.8	0	0	0	0	110.2	S68 L69 A70 R74	S68-C72 PolarHBondContact O-N 3.28Å; S68-C72 VanDerWaalsContact O-N 3.16Å; L69-C72 WeakPolarHBondContact O-CB 3.45Å; A70-C72 PolarHBondContact O-N 3.46Å; C72-R74 PolarHBondContact O-N 2.8Å; C72-R74 VanDerWaalsContact O-N 3.14Å
73	Q	48	Very low	67.4	Low	163 Å²	163	99.8 Å²	99.8	76%	0.762	53%	0.528	S	S	*	.			trans	-50.2	122.7	161.5	-68.5	-175.5	-8.2	0	0	107.6	S71 M75	S71-Q73 PolarHBondContact O-N 3.14Å; Q73-M75 VanDerWaalsContact C-N 3.27Å; Q73-M75 PolarHBondContact O-N 3.22Å
74	R	46.8	Very low	68.3	Low	248 Å²	248	98.2 Å²	98.2	94%	0.936	53%	0.525	S	S	*	.			trans	-64.7	96.6	164.9	-75.3	-178.5	174.8	170.8	-1.8	106.6	C72 D76	C72-R74 PolarHBondContact O-N 2.8Å; C72-R74 VanDerWaalsContact O-N 3.14Å; R74-D76 PolarHBondContact O-N 2.85Å
75	M	54.6	Low	69.2	Low	106 Å²	106	94.5 Å²	94.5	52%	0.522	50%	0.503	S	S	.	.			trans	-52.1	126.4	176.9	-62.3	-174.5	82.7	0	0	108.4	Q73 P77	Q73-M75 VanDerWaalsContact C-N 3.27Å; Q73-M75 PolarHBondContact O-N 3.22Å; M75-P77 VanDerWaalsContact O-CD 3.23Å; M75-P77 WeakPolarHBondContact O-CD 3.34Å; M75-P77 VanDerWaalsContact O-N 3.15Å
76	D	62.3	Low	70.3	Confident	73 Å²	73	93.6 Å²	93.6	39%	0.39	50%	0.499	S	S	.	.			trans	-59.2	115	-174.4	-175.6	-15.5	0	0	0	110.1	R74 S78 K79 H80	R74-D76 PolarHBondContact O-N 2.85Å; D76-S78 PolarHBondContact O-N 3.14Å; D76-S78 VanDerWaalsContact O-N 3.11Å; D76-S78 WeakPolarHBondContact OD1-CB 3.23Å; D76-S78 PolarHBondContact OD1-N 2.97Å; D76-S78 PolarHBondContact OD1-OG 3.11Å; D76-S78 PolarHBondContact OD2-OG 3.2Å; D76-K79 HydrophobicContact CB-CB 4.3Å; D76-K79 HydrophobicContact CB-CD 4.33Å; D76-K79 HydrophobicContact CB-CG 4.11Å; D76-K79 PolarHBondContact O-N 2.93Å; D76-H80 PolarHBondContact O-N 2.65Å
77	P	61.7	Low	71.7	Confident	110 Å²	110	87.5 Å²	87.5	71%	0.714	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.6	-179.1	-23.8	35.2	0	0	0	113.3	M75 K79	M75-P77 VanDerWaalsContact O-CD 3.23Å; M75-P77 WeakPolarHBondContact O-CD 3.34Å; M75-P77 VanDerWaalsContact O-N 3.15Å; P77-K79 VanDerWaalsContact C-N 3.3Å
78	S	69.1	Low	73.4	Confident	74 Å²	74	81 Å²	81	52%	0.517	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.4	175.8	73.6	0	0	0	0	113.8	D76 K94	D76-S78 PolarHBondContact O-N 3.14Å; D76-S78 VanDerWaalsContact O-N 3.11Å; D76-S78 WeakPolarHBondContact OD1-CB 3.23Å; D76-S78 PolarHBondContact OD1-N 2.97Å; D76-S78 PolarHBondContact OD1-OG 3.11Å; D76-S78 PolarHBondContact OD2-OG 3.2Å; S78-K94 WeakPolarHBondContact O-CD 3.47Å
79	K	84	Confident	75.3	Confident	122 Å²	122	82.6 Å²	82.6	53%	0.53	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-22.6	179.6	-60.7	-168.3	179.7	-164.5	0	113.6	D76 P77 P81 V93 K94	D76-K79 HydrophobicContact CB-CB 4.3Å; D76-K79 HydrophobicContact CB-CD 4.33Å; D76-K79 HydrophobicContact CB-CG 4.11Å; D76-K79 PolarHBondContact O-N 2.93Å; P77-K79 VanDerWaalsContact C-N 3.3Å; K79-P81 WeakPolarHBondContact O-CD 3.44Å; K79-V93 CarbonylContact O-C 3.54Å; K79-V93 WeakPolarHBondContact O-CA 3.22Å; K79-K94 PolarHBondContact O-N 2.83Å
80	H	91.3	Very high	77.3	Confident	46 Å²	46	77.1 Å²	77.1	21%	0.213	42%	0.417	C	S	.	.	S	Bend	trans	-125.1	74.9	-178.6	-70.4	-65.2	0	0	0	111	D76 R91 G92	D76-H80 PolarHBondContact O-N 2.65Å; H80-R91 HydrophobicContact CB-CG 3.96Å; H80-G92 PolarHBondContact ND1-O 3.21Å
81	P	94	Very high	79.6	Confident	16 Å²	16	76.3 Å²	76.3	10%	0.104	40%	0.399	C	S	.	.			trans	-64	150.3	-179.8	31.1	-38.1	0	0	0	110.9	K79 R91 G92 E106 Y108	K79-P81 WeakPolarHBondContact O-CD 3.44Å; P81-R91 WeakPolarHBondContact O-CA 3.25Å; P81-G92 PolarHBondContact O-N 2.76Å; P81-E106 HydrophobicContact CB-CG 4.43Å; P81-E106 WeakPolarHBondContact CB-OE1 3.42Å; P81-E106 WeakPolarHBondContact CB-OE2 3.48Å; P81-E106 HydrophobicContact CG-CB 4.06Å; P81-E106 VanDerWaalsContact CG-CD 3.47Å; P81-E106 HydrophobicContact CG-CG 3.88Å; P81-E106 WeakPolarHBondContact CG-OE2 3.47Å; P81-Y108 WeakPolarHBondContact CB-OH 3.25Å; P81-Y108 WeakPolarHBondContact CG-OH 3.04Å
82	I	96.6	Very high	82.2	Confident	85 Å²	85	71.8 Å²	71.8	44%	0.436	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.3	-175.7	-63.8	165.9	0	0	0	109.6	L90 R91 I135	I82-L90 VanDerWaalsContact CA-O 3.27Å; I82-L90 WeakPolarHBondContact CA-O 3.48Å; I82-R91 HydrophobicContact CG1-CB 4.21Å; I82-R91 HydrophobicContact CG1-CG 4.32Å; I82-I135 HydrophobicContact CD1-CD1 4.24Å
83	V	96.6	Very high	84.8	Confident	18 Å²	18	69 Å²	69	11%	0.109	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.2	174.6	172.2	0	0	0	0	109.2	T85 K89 L90 Y108 H291 F292	V83-T85 HydrophobicContact CG1-CG2 4.47Å; V83-K89 WeakPolarHBondContact O-CA 3.44Å; V83-L90 PolarHBondContact N-O 3.3Å; V83-L90 PolarHBondContact O-N 3.21Å; V83-Y108 HydrophobicContact CB-CE1 4.26Å; V83-Y108 HydrophobicContact CG2-CE1 4Å; V83-Y108 WeakPolarHBondContact CG2-OH 3.32Å; V83-H291 HydrophobicContact CG1-CB 3.72Å; V83-F292 HydrophobicContact CB-CD1 4.24Å; V83-F292 HydrophobicContact CB-CE1 3.9Å; V83-F292 HydrophobicContact CB-CZ 4.25Å; V83-F292 HydrophobicContact CG1-CD1 4.03Å; V83-F292 HydrophobicContact CG1-CD2 4.16Å; V83-F292 HydrophobicContact CG1-CE1 3.81Å; V83-F292 HydrophobicContact CG1-CE2 3.95Å; V83-F292 HydrophobicContact CG1-CG 4.2Å; V83-F292 HydrophobicContact CG1-CZ 3.77Å; V83-F292 HydrophobicContact CG2-CD1 3.9Å; V83-F292 HydrophobicContact CG2-CE1 4.02Å
84	S	97.4	Very high	87	Confident	63 Å²	63	64 Å²	64	44%	0.441	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.7	171.1	-55.6	0	0	0	0	108.3	H291	S84-H291 WeakPolarHBondContact O-CB 3.33Å
85	T	97.5	Very high	89.2	Confident	13 Å²	13	55.8 Å²	55.8	8%	0.08	29%	0.294	C	S	.	.			trans	-98.5	176.7	174.1	72.7	0	0	0	0	110.2	V83 Y87 G88 L90 W284 N288 F292	V83-T85 HydrophobicContact CG1-CG2 4.47Å; T85-Y87 PolarHBondContact O-N 2.93Å; T85-Y87 PolarHBondContact OG1-N 3.47Å; T85-G88 PolarHBondContact N-O 2.96Å; T85-G88 PolarHBondContact O-N 3.4Å; T85-G88 PolarHBondContact OG1-N 2.76Å; T85-G88 PolarHBondContact OG1-O 2.75Å; T85-G88 VanDerWaalsContact OG1-O 3.1Å; T85-L90 HydrophobicContact CG2-CD1 3.61Å; T85-L90 HydrophobicContact CG2-CG 4.39Å; T85-W284 HydrophobicContact CG2-CH2 4.38Å; T85-W284 HydrophobicContact CG2-CZ2 4.18Å; T85-N288 WeakPolarHBondContact CB-OD1 3.41Å; T85-F292 HydrophobicContact CG2-CE2 3.96Å; T85-F292 HydrophobicContact CG2-CZ 4Å
86	N	97.2	Very high	91	Very high	86 Å²	86	56.6 Å²	56.6	46%	0.46	30%	0.301	S	S	.	.	S	Bend	trans	-63.7	-20.1	174.4	-56.2	-15.4	0	0	0	112	E287 N288 H291	N86-E287 PolarHBondContact ND2-O 3.14Å; N86-N288 WeakPolarHBondContact CB-OD1 3.4Å; N86-N288 VanDerWaalsContact CG-OD1 3.24Å; N86-N288 PolarHBondContact N-OD1 3.04Å; N86-N288 PolarHBondContact ND2-OD1 3.34Å; N86-H291 PolarHBondContact OD1-NE2 3.12Å
87	Y	97.4	Very high	92.3	Very high	27 Å²	27	54.5 Å²	54.5	11%	0.106	29%	0.289	C	S	.	.	S	Bend	trans	-98.3	-25.8	-178.4	-59.5	-78.4	0	0	0	113.8	T85 P129 S131 W132 W284 E287	T85-Y87 PolarHBondContact O-N 2.93Å; T85-Y87 PolarHBondContact OG1-N 3.47Å; Y87-P129 HydrophobicContact CD1-CG 3.84Å; Y87-P129 WeakPolarHBondContact CD1-O 3.34Å; Y87-P129 HydrophobicContact CD2-CG 4.07Å; Y87-P129 HydrophobicContact CE1-CG 3.79Å; Y87-P129 VanDerWaalsContact CE1-O 3.25Å; Y87-P129 WeakPolarHBondContact CE1-O 3.22Å; Y87-P129 HydrophobicContact CE2-CG 3.99Å; Y87-P129 HydrophobicContact CG-CG 3.98Å; Y87-S131 CarbonylContact O-C 3.54Å; Y87-S131 WeakPolarHBondContact O-CA 3.37Å; Y87-S131 VanDerWaalsContact O-CB 3.27Å; Y87-S131 WeakPolarHBondContact O-CB 3.43Å; Y87-W132 PolarHBondContact O-N 3.09Å; Y87-W284 AromaticContact CD2-CD1 3.94Å; Y87-W284 AromaticContact CD2-NE1 3.47Å; Y87-W284 AromaticContact CE2-CD1 3.42Å; Y87-W284 VanDerWaalsContact CE2-CD1 3.42Å; Y87-W284 HydrophobicContact CE2-CG 4.47Å; Y87-W284 AromaticContact CE2-NE1 3.47Å; Y87-E287 PolarHBondContact OH-OE2 3.01Å
88	G	97	Very high	93.3	Very high	13 Å²	13	55.7 Å²	55.7	13%	0.134	29%	0.29	C	S	.	.			trans	160.7	-168	178.8	0	0	0	0	0	113.5	T85 W132	T85-G88 PolarHBondContact N-O 2.96Å; T85-G88 PolarHBondContact O-N 3.4Å; T85-G88 PolarHBondContact OG1-N 2.76Å; T85-G88 PolarHBondContact OG1-O 2.75Å; T85-G88 VanDerWaalsContact OG1-O 3.1Å; G88-W132 WeakPolarHBondContact CA-O 3.38Å
89	K	98.3	Very high	93.9	Very high	98 Å²	98	53.8 Å²	53.8	43%	0.426	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138	179.9	-72	171.6	-176.2	168.2	0	111.7	V83 W132 I135 R136	V83-K89 WeakPolarHBondContact O-CA 3.44Å; K89-W132 PolarHBondContact O-NE1 3.44Å; K89-I135 HydrophobicContact CB-CB 4.4Å; K89-I135 HydrophobicContact CB-CG1 3.99Å; K89-I135 HydrophobicContact CB-CG2 4.45Å; K89-I135 HydrophobicContact CD-CG1 4.22Å; K89-R136 PolarHBondContact O-N 2.9Å
90	L	98.2	Very high	93.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.8	176.3	-67.6	168	0	0	0	109.7	I82 V83 T85 Y108 V111 W132 R136 A138 F292	I82-L90 VanDerWaalsContact CA-O 3.27Å; I82-L90 WeakPolarHBondContact CA-O 3.48Å; V83-L90 PolarHBondContact N-O 3.3Å; V83-L90 PolarHBondContact O-N 3.21Å; T85-L90 HydrophobicContact CG2-CD1 3.61Å; T85-L90 HydrophobicContact CG2-CG 4.39Å; L90-Y108 HydrophobicContact CB-CD1 4.38Å; L90-V111 HydrophobicContact CD1-CB 4.49Å; L90-V111 HydrophobicContact CD1-CG1 3.63Å; L90-V111 HydrophobicContact CD1-CG2 4.03Å; L90-V111 HydrophobicContact CD2-CG1 4.47Å; L90-W132 HydrophobicContact CD2-CH2 4.47Å; L90-W132 HydrophobicContact CD2-CZ2 3.68Å; L90-W132 HydrophobicContact CG-CZ2 3.99Å; L90-R136 CarbonylContact C-O 3.48Å; L90-R136 WeakPolarHBondContact CA-O 3.38Å; L90-R136 HydrophobicContact CD2-CB 4.16Å; L90-R136 HydrophobicContact CD2-CG 4.27Å; L90-A138 HydrophobicContact CD2-CB 4.17Å; L90-F292 HydrophobicContact CD1-CZ 4.04Å
91	R	98	Very high	93.3	Very high	52 Å²	52	57.5 Å²	57.5	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.9	170	177	-174	-69	116.5	-3.6	109.6	H80 P81 I82 I135 R136 N137 A138 T139	H80-R91 HydrophobicContact CB-CG 3.96Å; P81-R91 WeakPolarHBondContact O-CA 3.25Å; I82-R91 HydrophobicContact CG1-CB 4.21Å; I82-R91 HydrophobicContact CG1-CG 4.32Å; R91-I135 HydrophobicContact CB-CG2 3.74Å; R91-R136 PolarHBondContact N-O 2.78Å; R91-N137 PolarHBondContact NH1-OD1 2.74Å; R91-A138 CarbonylContact O-C 3.6Å; R91-A138 WeakPolarHBondContact O-CA 3.48Å; R91-A138 PolarHBondContact O-N 2.89Å; R91-T139 WeakPolarHBondContact O-CG2 3.5Å
92	G	97.6	Very high	93	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.			trans	-91.5	-164.7	173.6	0	0	0	0	0	113.1	H80 P81 Q107 T139	H80-G92 PolarHBondContact ND1-O 3.21Å; P81-G92 PolarHBondContact O-N 2.76Å; G92-Q107 CarbonylContact C-O 3.56Å; G92-Q107 WeakPolarHBondContact CA-O 3.34Å; G92-T139 WeakPolarHBondContact O-CG2 3.31Å
93	V	96.7	Very high	92.6	Very high	36 Å²	36	53.5 Å²	53.5	22%	0.218	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.3	173.4	60.8	0	0	0	0	110.3	K79 Q107 T139	K79-V93 CarbonylContact O-C 3.54Å; K79-V93 WeakPolarHBondContact O-CA 3.22Å; V93-Q107 HydrophobicContact CG1-CB 4.09Å; V93-Q107 PolarHBondContact N-O 2.83Å; V93-Q107 PolarHBondContact O-N 2.72Å; V93-T139 HydrophobicContact CB-CG2 4.26Å
94	K	95.1	Very high	92.4	Very high	58 Å²	58	53.4 Å²	53.4	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.6	171.6	-169.4	170.6	-178.7	167.5	0	109.4	S78 K79 P104 V105 D191	S78-K94 WeakPolarHBondContact O-CD 3.47Å; K79-K94 PolarHBondContact O-N 2.83Å; K94-P104 VanDerWaalsContact CE-CG 3.42Å; K94-P104 HydrophobicContact CG-CB 4.25Å; K94-V105 CarbonylContact C-O 3.55Å; K94-V105 WeakPolarHBondContact CA-O 3.33Å; K94-D191 IonicContact NZ-OD2 2.84Å; K94-D191 PolarHBondContact NZ-OD2 3.41Å
95	K	93.3	Very high	92.3	Very high	75 Å²	75	50.4 Å²	50.4	33%	0.326	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.9	-179.5	-178.4	-179.1	-179.5	176.3	0	109.8	P104 V105 Q107 D237	K95-P104 WeakPolarHBondContact O-CA 3.43Å; K95-P104 WeakPolarHBondContact O-CB 3.27Å; K95-V105 HydrophobicContact CB-CG2 4.18Å; K95-V105 PolarHBondContact N-O 2.82Å; K95-V105 PolarHBondContact O-N 2.87Å; K95-Q107 HydrophobicContact CB-CG 4.33Å; K95-Q107 VanDerWaalsContact CD-NE2 3.29Å; K95-D237 IonicContact NZ-OD2 3.89Å; K95-D237 PolarHBondContact NZ-OD2 2.98Å
96	D	91.3	Very high	92.3	Very high	124 Å²	124	52.2 Å²	52.2	66%	0.663	26%	0.261	S	S	*	.			trans	-75.6	148.3	167.5	-55.3	-63.9	0	0	0	110.3	P104	D96-P104 WeakPolarHBondContact OD1-CB 3.42Å
97	L	89.4	Confident	92.4	Very high	29 Å²	29	48.9 Å²	48.9	15%	0.152	24%	0.242	C	C	.	.			trans	-102.5	150.4	-178.2	-68.1	174.7	0	0	0	111.7	N99 L102 V240 A243	L97-N99 PolarHBondContact O-N 2.88Å; L97-L102 HydrophobicContact CB-CB 4.34Å; L97-L102 HydrophobicContact CD1-CB 3.91Å; L97-L102 HydrophobicContact CD1-CD1 4.04Å; L97-V240 HydrophobicContact CD2-CG2 4.49Å; L97-A243 HydrophobicContact CD1-CB 3.69Å
98	N	83.3	Confident	92.4	Very high	135 Å²	135	47.7 Å²	47.7	72%	0.722	24%	0.237	S	C	*	.	S	Bend	trans	-76.8	45.9	179	-167	40.5	0	0	0	112.4	I552	N98-I552 HydrophobicContact CB-CG2 4.48Å
99	N	82.1	Confident	92.5	Very high	33 Å²	33	47.5 Å²	47.5	18%	0.176	23%	0.234	C	C	.	.	S	Bend	trans	-158.9	114.3	-177.9	-171.4	-56.8	0	0	0	109.6	L97 I101 L102 M551	L97-N99 PolarHBondContact O-N 2.88Å; N99-I101 PolarHBondContact O-N 2.93Å; N99-I101 WeakPolarHBondContact OD1-CB 3.44Å; N99-I101 PolarHBondContact OD1-N 2.82Å; N99-I101 VanDerWaalsContact OD1-N 3.13Å; N99-L102 HydrophobicContact CB-CB 4.37Å; N99-L102 HydrophobicContact CB-CD1 3.93Å; N99-L102 HydrophobicContact CB-CG 4.04Å; N99-L102 PolarHBondContact O-N 2.8Å; N99-L102 VanDerWaalsContact O-N 3.1Å; N99-M551 PolarHBondContact ND2-O 3.38Å
100	E	79.4	Confident	92.5	Very high	194 Å²	194	43.1 Å²	43.1	91%	0.907	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.7	-173.2	-59.4	-179.4	166.9	0	0	114.8
101	I	83	Confident	92.6	Very high	52 Å²	52	43.1 Å²	43.1	27%	0.267	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-23.4	-177.9	-55.5	170.3	0	0	0	111.3	N99 L194 F596 I597	N99-I101 PolarHBondContact O-N 2.93Å; N99-I101 WeakPolarHBondContact OD1-CB 3.44Å; N99-I101 PolarHBondContact OD1-N 2.82Å; N99-I101 VanDerWaalsContact OD1-N 3.13Å; I101-L194 HydrophobicContact CG2-CD1 4.01Å; I101-L194 HydrophobicContact CG2-CD2 4.32Å; I101-L194 HydrophobicContact CG2-CG 3.97Å; I101-F596 HydrophobicContact CD1-CB 4.17Å; I101-I597 HydrophobicContact CB-CD1 4.07Å; I101-I597 HydrophobicContact CD1-CB 4.38Å; I101-I597 HydrophobicContact CD1-CD1 4.26Å; I101-I597 HydrophobicContact CG2-CB 4.27Å; I101-I597 HydrophobicContact CG2-CD1 4.16Å
102	L	87.9	Confident	92.6	Very high	11 Å²	11	41 Å²	41	6%	0.058	21%	0.209	C	C	.	.	S	Bend	trans	-88.2	134.8	-178.2	-60.6	-180	0	0	0	111	L97 N99 L194 V240 A243 Y244 I597	L97-L102 HydrophobicContact CB-CB 4.34Å; L97-L102 HydrophobicContact CD1-CB 3.91Å; L97-L102 HydrophobicContact CD1-CD1 4.04Å; N99-L102 HydrophobicContact CB-CB 4.37Å; N99-L102 HydrophobicContact CB-CD1 3.93Å; N99-L102 HydrophobicContact CB-CG 4.04Å; N99-L102 PolarHBondContact O-N 2.8Å; N99-L102 VanDerWaalsContact O-N 3.1Å; L102-L194 HydrophobicContact CD2-CD1 4.06Å; L102-V240 HydrophobicContact CD1-CB 4.45Å; L102-V240 HydrophobicContact CD1-CG1 3.81Å; L102-V240 HydrophobicContact CD1-CG2 4.26Å; L102-A243 HydrophobicContact CB-CB 4.41Å; L102-Y244 HydrophobicContact CD2-CD2 4.34Å; L102-I597 HydrophobicContact CD2-CD1 4.13Å; L102-I597 HydrophobicContact CG-CD1 4.38Å
103	G	87.6	Confident	92.6	Very high	6 Å²	6	41 Å²	41	6%	0.062	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-72.1	154.6	172.3	0	0	0	0	0	112.3	A243	G103-A243 WeakPolarHBondContact O-CB 3.38Å
104	P	92.6	Very high	92.7	Very high	17 Å²	17	39.4 Å²	39.4	11%	0.11	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-64.7	158.9	173.7	23.3	-28.8	0	0	0	112.1	K94 K95 D96 T189 D191	K94-P104 VanDerWaalsContact CE-CG 3.42Å; K94-P104 HydrophobicContact CG-CB 4.25Å; K95-P104 WeakPolarHBondContact O-CA 3.43Å; K95-P104 WeakPolarHBondContact O-CB 3.27Å; D96-P104 WeakPolarHBondContact OD1-CB 3.42Å; P104-T189 WeakPolarHBondContact CG-OG1 3.18Å; P104-T189 WeakPolarHBondContact O-CB 3.26Å; P104-T189 WeakPolarHBondContact O-CG2 3.43Å; P104-T189 PolarHBondContact O-N 3.15Å; P104-T189 VanDerWaalsContact O-N 3.14Å; P104-T189 PolarHBondContact O-OG1 3.18Å; P104-D191 HydrophobicContact CG-CB 4.45Å
105	V	95.7	Very high	92.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.8	176.6	-60	0	0	0	0	111.4	K94 K95 Q107 V187 S239 A242 A243	K94-V105 CarbonylContact C-O 3.55Å; K94-V105 WeakPolarHBondContact CA-O 3.33Å; K95-V105 HydrophobicContact CB-CG2 4.18Å; K95-V105 PolarHBondContact N-O 2.82Å; K95-V105 PolarHBondContact O-N 2.87Å; V105-Q107 HydrophobicContact CG2-CG 3.97Å; V105-V187 CarbonylContact C-O 3.49Å; V105-V187 VanDerWaalsContact CA-O 3.29Å; V105-V187 WeakPolarHBondContact CA-O 3.49Å; V105-V187 WeakPolarHBondContact CB-O 3.35Å; V105-S239 WeakPolarHBondContact CG1-O 3.33Å; V105-A242 HydrophobicContact CG1-CB 4.43Å; V105-A243 HydrophobicContact CG1-CB 3.98Å
106	E	97.4	Very high	93.1	Very high	51 Å²	51	35.6 Å²	35.6	24%	0.238	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129	160.9	-51.8	-171.3	168.4	0	0	109.2	P81 Y108 V187 T189	P81-E106 HydrophobicContact CB-CG 4.43Å; P81-E106 WeakPolarHBondContact CB-OE1 3.42Å; P81-E106 WeakPolarHBondContact CB-OE2 3.48Å; P81-E106 HydrophobicContact CG-CB 4.06Å; P81-E106 VanDerWaalsContact CG-CD 3.47Å; P81-E106 HydrophobicContact CG-CG 3.88Å; P81-E106 WeakPolarHBondContact CG-OE2 3.47Å; E106-Y108 HydrophobicContact CB-CD2 4.47Å; E106-Y108 HydrophobicContact CB-CE2 3.69Å; E106-Y108 WeakPolarHBondContact OE2-CE2 3.48Å; E106-Y108 PolarHBondContact OE2-OH 3.1Å; E106-V187 HydrophobicContact CB-CB 4.28Å; E106-V187 PolarHBondContact N-O 2.86Å; E106-V187 PolarHBondContact O-N 2.87Å; E106-T189 HydrophobicContact CG-CG2 3.93Å
107	Q	98.5	Very high	93.4	Very high	16 Å²	16	30 Å²	30	8%	0.075	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.5	175.5	-62.1	-169.3	-30.6	0	0	110.1	G92 V93 K95 V105 L109 I185 Y186 S239	G92-Q107 CarbonylContact C-O 3.56Å; G92-Q107 WeakPolarHBondContact CA-O 3.34Å; V93-Q107 HydrophobicContact CG1-CB 4.09Å; V93-Q107 PolarHBondContact N-O 2.83Å; V93-Q107 PolarHBondContact O-N 2.72Å; K95-Q107 HydrophobicContact CB-CG 4.33Å; K95-Q107 VanDerWaalsContact CD-NE2 3.29Å; V105-Q107 HydrophobicContact CG2-CG 3.97Å; Q107-L109 HydrophobicContact CB-CD2 4.04Å; Q107-L109 HydrophobicContact CB-CG 4.16Å; Q107-I185 WeakPolarHBondContact CA-O 3.42Å; Q107-Y186 HydrophobicContact CG-CD1 4.05Å; Q107-Y186 HydrophobicContact CG-CE1 4.34Å; Q107-S239 PolarHBondContact NE2-OG 3.06Å
108	Y	98.8	Very high	93.8	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	90.8	170.7	-58.7	-96.7	0	0	0	107.6	P81 V83 L90 E106 A138 N184 I185 V187 F292	P81-Y108 WeakPolarHBondContact CB-OH 3.25Å; P81-Y108 WeakPolarHBondContact CG-OH 3.04Å; V83-Y108 HydrophobicContact CB-CE1 4.26Å; V83-Y108 HydrophobicContact CG2-CE1 4Å; V83-Y108 WeakPolarHBondContact CG2-OH 3.32Å; L90-Y108 HydrophobicContact CB-CD1 4.38Å; E106-Y108 HydrophobicContact CB-CD2 4.47Å; E106-Y108 HydrophobicContact CB-CE2 3.69Å; E106-Y108 WeakPolarHBondContact OE2-CE2 3.48Å; E106-Y108 PolarHBondContact OE2-OH 3.1Å; Y108-A138 CarbonylContact C-O 3.54Å; Y108-A138 WeakPolarHBondContact CA-O 3.27Å; Y108-N184 CarbonylContact O-C 3.14Å; Y108-N184 VanDerWaalsContact O-CA 3.31Å; Y108-N184 WeakPolarHBondContact O-CA 3.46Å; Y108-I185 PolarHBondContact N-O 3.43Å; Y108-I185 PolarHBondContact O-N 3.34Å; Y108-V187 HydrophobicContact CD2-CG2 4.36Å; Y108-V187 HydrophobicContact CE2-CG2 4.22Å; Y108-F292 AromaticContact CD1-CE1 3.89Å; Y108-F292 HydrophobicContact CD1-CE1 3.89Å; Y108-F292 AromaticContact CD2-CD1 3.91Å; Y108-F292 HydrophobicContact CD2-CD1 3.91Å; Y108-F292 AromaticContact CD2-CE1 3.79Å; Y108-F292 HydrophobicContact CD2-CE1 3.79Å; Y108-F292 HydrophobicContact CE1-CE1 4.14Å; Y108-F292 AromaticContact CE2-CD1 3.92Å; Y108-F292 HydrophobicContact CE2-CD1 3.92Å; Y108-F292 HydrophobicContact CE2-CE1 4.06Å; Y108-F292 HydrophobicContact CG-CD1 4.32Å; Y108-F292 AromaticContact CG-CE1 3.72Å; Y108-F292 HydrophobicContact CG-CE1 3.72Å
109	L	98.8	Very high	94.4	Very high	10 Å²	10	28 Å²	28	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.8	-173.8	-49.5	-178	0	0	0	110.6	Q107 A138 Q140 F141 N184 Y186	Q107-L109 HydrophobicContact CB-CD2 4.04Å; Q107-L109 HydrophobicContact CB-CG 4.16Å; L109-A138 PolarHBondContact N-O 3.18Å; L109-A138 CarbonylContact O-C 3.54Å; L109-A138 WeakPolarHBondContact O-CA 3.38Å; L109-A138 VanDerWaalsContact O-CB 3.32Å; L109-A138 WeakPolarHBondContact O-CB 3Å; L109-Q140 CarbonylContact C-O 3.52Å; L109-Q140 WeakPolarHBondContact CB-O 3.4Å; L109-F141 HydrophobicContact CB-CD1 4.21Å; L109-F141 HydrophobicContact CD1-CD1 4.29Å; L109-F141 HydrophobicContact CD1-CE1 4.15Å; L109-F141 HydrophobicContact CD1-CE2 4.46Å; L109-F141 HydrophobicContact CD1-CZ 4.24Å; L109-F141 HydrophobicContact CD2-CD1 4.35Å; L109-F141 HydrophobicContact CD2-CE1 3.84Å; L109-F141 HydrophobicContact CD2-CZ 4.39Å; L109-F141 HydrophobicContact CG-CE1 4.4Å; L109-N184 WeakPolarHBondContact CA-OD1 3.05Å; L109-N184 HydrophobicContact CD2-CB 3.87Å; L109-Y186 HydrophobicContact CD2-CE1 4.46Å
110	G	98.5	Very high	95.1	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69	37.8	177.6	0	0	0	0	0	114.4	Y182 L183 N184	G110-Y182 VanDerWaalsContact O-CD1 3.3Å; G110-Y182 WeakPolarHBondContact O-CD1 3.37Å; G110-L183 PolarHBondContact N-O 3.43Å; G110-N184 PolarHBondContact N-OD1 2.83Å
111	V	98.8	Very high	96	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.9	176.8	-179	0	0	0	0	109.9	L90 Y113 A138 Y182 L183 W284	L90-V111 HydrophobicContact CD1-CB 4.49Å; L90-V111 HydrophobicContact CD1-CG1 3.63Å; L90-V111 HydrophobicContact CD1-CG2 4.03Å; L90-V111 HydrophobicContact CD2-CG1 4.47Å; V111-Y113 PolarHBondContact O-N 3.21Å; V111-A138 HydrophobicContact CG2-CB 3.96Å; V111-Y182 WeakPolarHBondContact O-CA 3.14Å; V111-L183 HydrophobicContact CB-CD1 4.01Å; V111-L183 WeakPolarHBondContact CB-O 3.27Å; V111-L183 HydrophobicContact CG1-CD1 4.34Å; V111-L183 PolarHBondContact N-O 3.23Å; V111-L183 PolarHBondContact O-N 2.87Å; V111-W284 HydrophobicContact CG1-CH2 3.71Å; V111-W284 HydrophobicContact CG1-CZ2 3.54Å
112	P	98.6	Very high	96.8	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.045	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.8	178.7	27.3	-32.7	0	0	0	110.5	P129 W132 Y182 W284	P112-P129 HydrophobicContact CB-CB 4.49Å; P112-W132 HydrophobicContact CG-CH2 3.83Å; P112-W132 HydrophobicContact CG-CZ3 3.75Å; P112-Y182 HydrophobicContact CB-CD1 3.99Å; P112-Y182 HydrophobicContact CB-CE1 3.63Å; P112-Y182 HydrophobicContact CG-CE1 4.24Å; P112-W284 PolarHBondContact O-NE1 2.91Å
113	Y	98.8	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.			trans	-107.2	-7.8	176.1	73.7	-100	0	0	0	113.3	V111 P129 L181 L183 M252 N253 D277 Q280 A281	V111-Y113 PolarHBondContact O-N 3.21Å; Y113-P129 WeakPolarHBondContact O-CD 3.09Å; Y113-L181 WeakPolarHBondContact CD1-O 3.34Å; Y113-L181 HydrophobicContact CE1-CB 4.12Å; Y113-L181 HydrophobicContact CE2-CB 4.39Å; Y113-L181 PolarHBondContact N-O 2.82Å; Y113-L183 HydrophobicContact CD1-CB 4.09Å; Y113-L183 HydrophobicContact CD1-CD2 3.93Å; Y113-L183 HydrophobicContact CD1-CG 4.02Å; Y113-L183 HydrophobicContact CG-CD2 4.02Å; Y113-L183 HydrophobicContact CG-CG 4.47Å; Y113-M252 HydrophobicContact CE1-CE 4.03Å; Y113-M252 VanDerWaalsContact OH-CE 3.29Å; Y113-M252 WeakPolarHBondContact OH-CE 3.21Å; Y113-N253 WeakPolarHBondContact CE1-O 3.33Å; Y113-N253 PolarHBondContact OH-O 3.32Å; Y113-D277 WeakPolarHBondContact CE2-O 3.45Å; Y113-D277 WeakPolarHBondContact OH-CB 3.3Å; Y113-D277 PolarHBondContact OH-O 2.99Å; Y113-Q280 HydrophobicContact CD2-CB 4.45Å; Y113-Q280 HydrophobicContact CD2-CG 4.13Å; Y113-Q280 HydrophobicContact CE2-CB 4.3Å; Y113-Q280 HydrophobicContact CE2-CG 4.33Å; Y113-Q280 PolarHBondContact O-NE2 2.81Å; Y113-A281 HydrophobicContact CD1-CB 4.24Å; Y113-A281 VanDerWaalsContact CD2-CA 3.45Å; Y113-A281 HydrophobicContact CD2-CB 3.7Å; Y113-A281 HydrophobicContact CE1-CB 4.24Å; Y113-A281 HydrophobicContact CE2-CB 3.75Å; Y113-A281 HydrophobicContact CG-CB 3.97Å
114	A	98.8	Very high	97.8	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.033	16%	0.158	C	C	.	.	S	Bend	trans	-148.8	168	177.2	0	0	0	0	0	110.8	P126 E127 L181 Q280	A114-P126 HydrophobicContact CB-CB 4.06Å; A114-E127 CarbonylContact C-O 3.44Å; A114-E127 WeakPolarHBondContact CA-O 3.47Å; A114-E127 VanDerWaalsContact CB-O 3.3Å; A114-E127 WeakPolarHBondContact CB-O 3.37Å; A114-L181 HydrophobicContact CB-CB 3.93Å; A114-L181 HydrophobicContact CB-CD1 3.63Å; A114-L181 HydrophobicContact CB-CG 4.44Å; A114-Q280 HydrophobicContact CB-CG 3.94Å
115	T	98.3	Very high	98.1	Very high	35 Å²	35	31.1 Å²	31.1	22%	0.215	17%	0.174	C	C	.	.			trans	-82.3	140.4	172.6	-72.4	0	0	0	0	111	E127 A128 P129	T115-E127 PolarHBondContact N-O 3.32Å; T115-A128 PolarHBondContact OG1-O 3.47Å; T115-P129 WeakPolarHBondContact OG1-CA 3.36Å
116	A	98.3	Very high	98.2	Very high	18 Å²	18	32 Å²	32	15%	0.149	18%	0.18	C	C	.	.			trans	-48	120.9	-177.5	0	0	0	0	0	113.3	I118 R121 D179	A116-I118 HydrophobicContact CB-CD1 4.37Å; A116-I118 HydrophobicContact CB-CG1 4.15Å; A116-I118 PolarHBondContact O-N 2.91Å; A116-R121 PolarHBondContact O-NE 2.99Å; A116-R121 PolarHBondContact O-NH2 3.33Å; A116-D179 HydrophobicContact CB-CB 3.85Å; A116-D179 WeakPolarHBondContact CB-OD1 3.48Å
117	P	98.1	Very high	98.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.032	19%	0.191	C	C	.	.			trans	-80.8	41.8	-173.1	34.6	-38.5	0	0	0	113.3	R121 R122 E178 L181 R255	P117-R121 CarbonylContact O-C 3.5Å; P117-R122 WeakPolarHBondContact O-CA 3.44Å; P117-R122 PolarHBondContact O-N 3.45Å; P117-E178 VanDerWaalsContact CD-O 3.31Å; P117-E178 WeakPolarHBondContact CD-O 3.38Å; P117-E178 WeakPolarHBondContact CG-O 3.29Å; P117-L181 HydrophobicContact CB-CD1 4.27Å; P117-L181 HydrophobicContact CG-CD1 3.86Å; P117-L181 HydrophobicContact CG-CD2 4.48Å; P117-L181 HydrophobicContact CG-CG 3.98Å; P117-R255 HydrophobicContact CG-CG 4.19Å
118	I	97.7	Very high	98.2	Very high	80 Å²	80	36 Å²	36	41%	0.41	21%	0.207	S	C	.	.			trans	-93	156.1	-175.6	57.6	173.1	0	0	0	112.8	A116 D120 R121 E178	A116-I118 HydrophobicContact CB-CD1 4.37Å; A116-I118 HydrophobicContact CB-CG1 4.15Å; A116-I118 PolarHBondContact O-N 2.91Å; I118-D120 PolarHBondContact O-N 3Å; I118-R121 PolarHBondContact O-N 3.47Å; I118-E178 HydrophobicContact CG2-CB 3.58Å
119	G	96	Very high	98.1	Very high	42 Å²	42	36.3 Å²	36.3	43%	0.433	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	63.1	-125.8	177.4	0	0	0	0	0	111.5	R121 R122	G119-R121 PolarHBondContact O-N 3.13Å; G119-R122 VanDerWaalsContact O-CB 3.27Å; G119-R122 WeakPolarHBondContact O-CB 3.5Å; G119-R122 PolarHBondContact O-N 3.48Å
120	D	96.8	Very high	97.8	Very high	142 Å²	142	38.3 Å²	38.3	76%	0.759	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-65.9	-19	-178.3	-52.4	-46.5	0	0	0	113.3	I118 R122 Q124	I118-D120 PolarHBondContact O-N 3Å; D120-R122 VanDerWaalsContact C-N 3.31Å; D120-Q124 VanDerWaalsContact O-CG 3.3Å; D120-Q124 WeakPolarHBondContact O-CG 3.46Å
121	R	98.2	Very high	97.7	Very high	74 Å²	74	42.3 Å²	42.3	28%	0.279	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-80.6	-4.9	170.8	-69	-171.7	-62	-91.8	-10.2	114.1	A116 P117 I118 G119 F123 Q124 E127	A116-R121 PolarHBondContact O-NE 2.99Å; A116-R121 PolarHBondContact O-NH2 3.33Å; P117-R121 CarbonylContact O-C 3.5Å; I118-R121 PolarHBondContact O-N 3.47Å; G119-R121 PolarHBondContact O-N 3.13Å; R121-F123 PolarHBondContact O-N 3.37Å; R121-Q124 PolarHBondContact O-N 3.34Å; R121-E127 VanDerWaalsContact CD-CD 3.46Å; R121-E127 VanDerWaalsContact CD-OE2 3.28Å; R121-E127 WeakPolarHBondContact CD-OE2 3.48Å; R121-E127 IonicContact NE-OE2 2.76Å; R121-E127 IonicContact NH1-OE2 3.91Å
122	R	98.6	Very high	97.6	Very high	13 Å²	13	44.3 Å²	44.3	5%	0.049	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	133.7	169.1	-165.8	-165.6	-70.5	158.1	0.6	108.6	P117 G119 D120 Q124 E178 L259 L369 R370 K372	P117-R122 WeakPolarHBondContact O-CA 3.44Å; P117-R122 PolarHBondContact O-N 3.45Å; G119-R122 VanDerWaalsContact O-CB 3.27Å; G119-R122 WeakPolarHBondContact O-CB 3.5Å; G119-R122 PolarHBondContact O-N 3.48Å; D120-R122 VanDerWaalsContact C-N 3.31Å; R122-Q124 VanDerWaalsContact C-N 3.31Å; R122-E178 IonicContact CZ-OE1 3.44Å; R122-E178 IonicContact CZ-OE2 3.5Å; R122-E178 VanDerWaalsContact CZ-OE2 3.26Å; R122-E178 IonicContact NE-OE1 3.41Å; R122-E178 IonicContact NE-OE2 2.69Å; R122-E178 PolarHBondContact NE-OE2 2.63Å; R122-E178 IonicContact NH2-OE1 3.22Å; R122-E178 PolarHBondContact NH2-OE1 2.51Å; R122-E178 IonicContact NH2-OE2 2.73Å; R122-E178 PolarHBondContact NH2-OE2 2.87Å; R122-L259 HydrophobicContact CG-CD2 3.97Å; R122-L369 PolarHBondContact NH1-O 3.22Å; R122-R370 PolarHBondContact NH1-O 3.39Å; R122-R370 PolarHBondContact O-NE 3.11Å; R122-K372 PolarHBondContact NH1-O 2.92Å; R122-K372 PolarHBondContact NH2-O 3.28Å
123	F	98.5	Very high	97.4	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	42.8	-171	-37.5	-60.3	0	0	0	112.4	R121 V258 L259 L262 Y273 V366 L369 R370 L377	R121-F123 PolarHBondContact O-N 3.37Å; F123-V258 HydrophobicContact CE1-CG1 4.22Å; F123-V258 WeakPolarHBondContact CE1-O 3.43Å; F123-V258 HydrophobicContact CZ-CG1 4.41Å; F123-L259 HydrophobicContact CE1-CD2 4.34Å; F123-L262 HydrophobicContact CD1-CB 4.05Å; F123-L262 HydrophobicContact CD1-CD2 4.16Å; F123-L262 HydrophobicContact CE1-CB 3.9Å; F123-L262 HydrophobicContact CE1-CD1 4.3Å; F123-L262 HydrophobicContact CE1-CD2 4.31Å; F123-L262 HydrophobicContact CE1-CG 4.39Å; F123-L262 HydrophobicContact CG-CD2 4.34Å; F123-L262 HydrophobicContact CZ-CD1 4.36Å; F123-Y273 VanDerWaalsContact CA-CZ 3.5Å; F123-Y273 HydrophobicContact CB-CE2 3.79Å; F123-Y273 HydrophobicContact CD1-CE2 4.26Å; F123-Y273 WeakPolarHBondContact O-CE1 3.29Å; F123-Y273 PolarHBondContact O-OH 2.88Å; F123-V366 HydrophobicContact CB-CG1 4.41Å; F123-V366 HydrophobicContact CD2-CG1 3.9Å; F123-L369 HydrophobicContact CE2-CB 3.82Å; F123-L369 HydrophobicContact CZ-CB 4.29Å; F123-R370 HydrophobicContact CD2-CG 3.84Å; F123-R370 HydrophobicContact CE2-CG 4.22Å; F123-R370 PolarHBondContact O-NH2 3.07Å; F123-L377 HydrophobicContact CZ-CD1 4.11Å
124	Q	98.6	Very high	97.2	Very high	81 Å²	81	59.9 Å²	59.9	38%	0.379	34%	0.339	S	S	.	.	S	Bend	trans	-133.6	159	169.2	-63.7	-63.7	-3.1	0	0	111	D120 R121 R122 R255 Y273	D120-Q124 VanDerWaalsContact O-CG 3.3Å; D120-Q124 WeakPolarHBondContact O-CG 3.46Å; R121-Q124 PolarHBondContact O-N 3.34Å; R122-Q124 VanDerWaalsContact C-N 3.31Å; Q124-R255 PolarHBondContact O-NH1 2.84Å; Q124-R255 PolarHBondContact O-NH2 3.05Å; Q124-R255 VanDerWaalsContact O-NH2 3.14Å; Q124-Y273 VanDerWaalsContact C-CD1 3.43Å; Q124-Y273 WeakPolarHBondContact O-CD1 3.43Å
125	P	98.7	Very high	97.2	Very high	68 Å²	68	62.6 Å²	62.6	44%	0.442	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-51.9	149.6	167.1	-25.2	35.1	0	0	0	112.1	L276	P125-L276 HydrophobicContact CB-CD1 4.08Å; P125-L276 HydrophobicContact CG-CD1 4.07Å
126	P	98.6	Very high	97.1	Very high	20 Å²	20	65.3 Å²	65.3	13%	0.13	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-70.5	146.6	174.4	32	-34.4	0	0	0	111.3	A114 L181 L276 D277 Q280	A114-P126 HydrophobicContact CB-CB 4.06Å; P126-L181 HydrophobicContact CB-CD1 4.08Å; P126-L276 HydrophobicContact CG-CB 4.28Å; P126-L276 WeakPolarHBondContact CG-O 3.26Å; P126-D277 WeakPolarHBondContact CB-OD1 3.4Å; P126-Q280 HydrophobicContact CB-CB 4.27Å; P126-Q280 HydrophobicContact CB-CG 4.22Å; P126-Q280 HydrophobicContact CG-CB 3.64Å; P126-Q280 HydrophobicContact CG-CG 4.09Å
127	E	98.1	Very high	97.1	Very high	99 Å²	99	69 Å²	69	46%	0.463	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-100.2	153.8	171.4	-67.4	169.3	-179.7	0	0	109.8	A114 T115 R121	A114-E127 CarbonylContact C-O 3.44Å; A114-E127 WeakPolarHBondContact CA-O 3.47Å; A114-E127 VanDerWaalsContact CB-O 3.3Å; A114-E127 WeakPolarHBondContact CB-O 3.37Å; T115-E127 PolarHBondContact N-O 3.32Å; R121-E127 VanDerWaalsContact CD-CD 3.46Å; R121-E127 VanDerWaalsContact CD-OE2 3.28Å; R121-E127 WeakPolarHBondContact CD-OE2 3.48Å; R121-E127 IonicContact NE-OE2 2.76Å; R121-E127 IonicContact NH1-OE2 3.91Å
128	A	96.8	Very high	97.1	Very high	50 Å²	50	68.8 Å²	68.8	41%	0.413	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-57	152.4	171.5	0	0	0	0	0	111.8	T115	T115-A128 PolarHBondContact OG1-O 3.47Å
129	P	96.1	Very high	97.1	Very high	8 Å²	8	67.1 Å²	67.1	5%	0.052	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-74.2	142.3	-177.6	29.7	-30.7	0	0	0	111	Y87 P112 Y113 T115	Y87-P129 HydrophobicContact CD1-CG 3.84Å; Y87-P129 WeakPolarHBondContact CD1-O 3.34Å; Y87-P129 HydrophobicContact CD2-CG 4.07Å; Y87-P129 HydrophobicContact CE1-CG 3.79Å; Y87-P129 VanDerWaalsContact CE1-O 3.25Å; Y87-P129 WeakPolarHBondContact CE1-O 3.22Å; Y87-P129 HydrophobicContact CE2-CG 3.99Å; Y87-P129 HydrophobicContact CG-CG 3.98Å; P112-P129 HydrophobicContact CB-CB 4.49Å; Y113-P129 WeakPolarHBondContact O-CD 3.09Å; T115-P129 WeakPolarHBondContact OG1-CA 3.36Å
130	G	94.3	Very high	97.2	Very high	53 Å²	53	72.3 Å²	72.3	55%	0.546	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-67.4	134.4	173.3	0	0	0	0	0	112.4
131	S	96.1	Very high	97.3	Very high	88 Å²	88	69.4 Å²	69.4	62%	0.615	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-64.6	151.3	179.8	-49.5	0	0	0	0	113.6	Y87	Y87-S131 CarbonylContact O-C 3.54Å; Y87-S131 WeakPolarHBondContact O-CA 3.37Å; Y87-S131 VanDerWaalsContact O-CB 3.27Å; Y87-S131 WeakPolarHBondContact O-CB 3.43Å
132	W	96.2	Very high	97.3	Very high	42 Å²	42	66.6 Å²	66.6	16%	0.159	36%	0.355	C	S	.	.			trans	-132.5	140.4	-179.5	60.3	84.4	0	0	0	112.5	Y87 G88 K89 L90 P112 E134	Y87-W132 PolarHBondContact O-N 3.09Å; G88-W132 WeakPolarHBondContact CA-O 3.38Å; K89-W132 PolarHBondContact O-NE1 3.44Å; L90-W132 HydrophobicContact CD2-CH2 4.47Å; L90-W132 HydrophobicContact CD2-CZ2 3.68Å; L90-W132 HydrophobicContact CG-CZ2 3.99Å; P112-W132 HydrophobicContact CG-CH2 3.83Å; P112-W132 HydrophobicContact CG-CZ3 3.75Å; W132-E134 VanDerWaalsContact CD1-O 3.25Å
133	Q	94.6	Very high	97.3	Very high	179 Å²	179	67.5 Å²	67.5	84%	0.836	36%	0.363	S	S	*	.	S	Bend	trans	-85	-37.5	-176	-65.3	-65.2	-34.8	0	0	113.4
134	E	95.1	Very high	97.3	Very high	155 Å²	155	67.6 Å²	67.6	72%	0.724	36%	0.363	S	S	*	.	S	Bend	trans	-76.9	172.1	-177.3	-69.2	-58.1	150.9	0	0	112.9	W132 R136	W132-E134 VanDerWaalsContact CD1-O 3.25Å; E134-R136 PolarHBondContact O-N 2.78Å
135	I	97.1	Very high	97.3	Very high	62 Å²	62	63.8 Å²	63.8	32%	0.318	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	103.7	173.2	-56.5	168.7	0	0	0	109	I82 K89 R91	I82-I135 HydrophobicContact CD1-CD1 4.24Å; K89-I135 HydrophobicContact CB-CB 4.4Å; K89-I135 HydrophobicContact CB-CG1 3.99Å; K89-I135 HydrophobicContact CB-CG2 4.45Å; K89-I135 HydrophobicContact CD-CG1 4.22Å; R91-I135 HydrophobicContact CB-CG2 3.74Å
136	R	97.6	Very high	97.3	Very high	92 Å²	92	60.7 Å²	60.7	35%	0.347	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.2	173.5	179.4	172.7	-178.5	132.8	2.7	109.7	K89 L90 R91 E134 Y182	K89-R136 PolarHBondContact O-N 2.9Å; L90-R136 CarbonylContact C-O 3.48Å; L90-R136 WeakPolarHBondContact CA-O 3.38Å; L90-R136 HydrophobicContact CD2-CB 4.16Å; L90-R136 HydrophobicContact CD2-CG 4.27Å; R91-R136 PolarHBondContact N-O 2.78Å; E134-R136 PolarHBondContact O-N 2.78Å; R136-Y182 VanDerWaalsContact NH2-CE1 3.34Å; R136-Y182 PolarHBondContact NH2-OH 3.32Å
137	N	97.8	Very high	97.2	Very high	94 Å²	94	59.9 Å²	59.9	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.9	171.2	-70.8	-19.7	0	0	0	109.9	R91	R91-N137 PolarHBondContact NH1-OD1 2.74Å
138	A	98.2	Very high	96.9	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.017	31%	0.31	C	S	.	.			trans	-128.8	54	174.3	0	0	0	0	0	108.9	L90 R91 Y108 L109 V111	L90-A138 HydrophobicContact CD2-CB 4.17Å; R91-A138 CarbonylContact O-C 3.6Å; R91-A138 WeakPolarHBondContact O-CA 3.48Å; R91-A138 PolarHBondContact O-N 2.89Å; Y108-A138 CarbonylContact C-O 3.54Å; Y108-A138 WeakPolarHBondContact CA-O 3.27Å; L109-A138 PolarHBondContact N-O 3.18Å; L109-A138 CarbonylContact O-C 3.54Å; L109-A138 WeakPolarHBondContact O-CA 3.38Å; L109-A138 VanDerWaalsContact O-CB 3.32Å; L109-A138 WeakPolarHBondContact O-CB 3Å; V111-A138 HydrophobicContact CG2-CB 3.96Å
139	T	97.6	Very high	96.3	Very high	44 Å²	44	55.3 Å²	55.3	27%	0.27	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-114.7	1.7	-170	58.3	0	0	0	0	113.4	R91 G92 V93	R91-T139 WeakPolarHBondContact O-CG2 3.5Å; G92-T139 WeakPolarHBondContact O-CG2 3.31Å; V93-T139 HydrophobicContact CB-CG2 4.26Å
140	Q	97.6	Very high	95.6	Very high	152 Å²	152	62.4 Å²	62.4	71%	0.71	32%	0.324	S	S	*	.	S	Bend	trans	-148.4	151	-177.7	-68.4	-179.5	-15.9	0	0	108.4	L109	L109-Q140 CarbonylContact C-O 3.52Å; L109-Q140 WeakPolarHBondContact CB-O 3.4Å
141	F	98.6	Very high	94.7	Very high	80 Å²	80	61.7 Å²	61.7	35%	0.351	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-62.3	139.4	174.7	-65.6	-61.8	0	0	0	111.5	L109 N184 N234	L109-F141 HydrophobicContact CB-CD1 4.21Å; L109-F141 HydrophobicContact CD1-CD1 4.29Å; L109-F141 HydrophobicContact CD1-CE1 4.15Å; L109-F141 HydrophobicContact CD1-CE2 4.46Å; L109-F141 HydrophobicContact CD1-CZ 4.24Å; L109-F141 HydrophobicContact CD2-CD1 4.35Å; L109-F141 HydrophobicContact CD2-CE1 3.84Å; L109-F141 HydrophobicContact CD2-CZ 4.39Å; L109-F141 HydrophobicContact CG-CE1 4.4Å; F141-N184 WeakPolarHBondContact CD1-OD1 3.38Å; F141-N184 HydrophobicContact CE1-CB 4.39Å; F141-N234 HydrophobicContact CB-CB 4.49Å; F141-N234 HydrophobicContact CD1-CB 3.85Å; F141-N234 VanDerWaalsContact CD1-CG 3.49Å; F141-N234 VanDerWaalsContact CD1-OD1 3.26Å; F141-N234 WeakPolarHBondContact CD1-OD1 3.47Å; F141-N234 HydrophobicContact CD2-CB 4.28Å; F141-N234 HydrophobicContact CE1-CB 4.06Å; F141-N234 HydrophobicContact CE2-CB 4.46Å; F141-N234 HydrophobicContact CG-CB 3.97Å; F141-N234 HydrophobicContact CZ-CB 4.36Å
142	A	98.4	Very high	93.9	Very high	15 Å²	15	62.9 Å²	62.9	12%	0.124	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-75.5	163.9	167.7	0	0	0	0	0	111	Y182 N234	A142-Y182 HydrophobicContact CB-CD1 3.76Å; A142-Y182 HydrophobicContact CB-CD2 3.34Å; A142-Y182 HydrophobicContact CB-CE1 4.22Å; A142-Y182 HydrophobicContact CB-CE2 3.87Å; A142-Y182 HydrophobicContact CB-CG 3.31Å; A142-N234 PolarHBondContact O-ND2 3.44Å
143	P	98.6	Very high	93.2	Very high	33 Å²	33	62.1 Å²	62.1	21%	0.214	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-54	146.9	174.2	-24.3	34.4	0	0	0	112.6	N175	P143-N175 CarbonylContact C-O 3.41Å; P143-N175 VanDerWaalsContact CA-O 3.26Å; P143-N175 WeakPolarHBondContact CA-O 3.37Å; P143-N175 WeakPolarHBondContact CB-O 3.39Å
144	V	98.7	Very high	92.8	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-82.6	161.8	176.7	-53.9	0	0	0	0	111	I173 N175 Q176 S177 T232 N234	V144-I173 HydrophobicContact CG1-CG2 4.31Å; V144-I173 HydrophobicContact CG2-CB 3.88Å; V144-I173 HydrophobicContact CG2-CG2 4.01Å; V144-N175 PolarHBondContact N-O 2.79Å; V144-Q176 HydrophobicContact CG2-CB 4.4Å; V144-Q176 HydrophobicContact CG2-CG 3.83Å; V144-Q176 WeakPolarHBondContact O-CA 3.46Å; V144-S177 PolarHBondContact O-N 2.83Å; V144-T232 HydrophobicContact CG1-CG2 3.95Å; V144-T232 WeakPolarHBondContact CG1-OG1 3.47Å; V144-N234 WeakPolarHBondContact CG1-ND2 3.49Å
145	C	98.8	Very high	92.5	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-68.5	148.3	174.4	-61.4	0	0	0	0	111.5	Q147 C180 Y254 L256	C145-Q147 PolarHBondContact O-N 2.93Å; C145-Q147 PolarHBondContact O-NE2 2.9Å; C145-C180 VanDerWaalsContact CA-CB 3.48Å; C145-C180 WeakPolarHBondContact CA-SG 3.42Å; C145-C180 HydrophobicContact CB-CB 3.82Å; C145-C180 WeakPolarHBondContact CB-SG 3.39Å; C145-C180 WeakPolarHBondContact SG-CB 3.36Å; C145-C180 CovalentContact SG-SG 2.03Å; C145-C180 PolarHBondContact SG-SG 3.19Å; C145-Y254 VanDerWaalsContact SG-C 3.52Å; C145-Y254 PolarHBondContact SG-O 2.98Å; C145-L256 HydrophobicContact CB-CD1 4.43Å; C145-L256 HydrophobicContact CB-CG 4.22Å
146	P	98.5	Very high	92.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.013	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-69	131.8	-169.9	-20.2	35	0	0	0	112.9	S177 E178 L259 F374 V378	P146-S177 VanDerWaalsContact CD-O 3.27Å; P146-S177 WeakPolarHBondContact CD-O 3.37Å; P146-S177 WeakPolarHBondContact CG-O 3.4Å; P146-E178 HydrophobicContact CG-CG 4.11Å; P146-L259 HydrophobicContact CB-CD1 4.01Å; P146-L259 HydrophobicContact CG-CD1 3.69Å; P146-F374 HydrophobicContact CB-CB 4.39Å; P146-F374 HydrophobicContact CB-CD2 3.45Å; P146-F374 VanDerWaalsContact CB-CD2 3.45Å; P146-F374 HydrophobicContact CB-CE2 3.89Å; P146-F374 HydrophobicContact CB-CG 4.1Å; P146-F374 HydrophobicContact CG-CB 4.29Å; P146-F374 HydrophobicContact CG-CD2 3.79Å; P146-F374 HydrophobicContact CG-CE2 4.2Å; P146-F374 HydrophobicContact CG-CG 3.99Å; P146-V378 HydrophobicContact CB-CG2 4.32Å
147	Q	96.6	Very high	91.8	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.019	26%	0.259	C	S	.	.			trans	-158.3	151.3	-169.9	60.6	-168.4	-88.7	0	0	111	C145 I173 Q176 M229 E230 G231	C145-Q147 PolarHBondContact O-N 2.93Å; C145-Q147 PolarHBondContact O-NE2 2.9Å; Q147-I173 HydrophobicContact CG-CB 4.42Å; Q147-I173 HydrophobicContact CG-CD1 4.12Å; Q147-Q176 PolarHBondContact O-NE2 2.97Å; Q147-Q176 PolarHBondContact O-OE1 3.1Å; Q147-M229 WeakPolarHBondContact CB-O 3.36Å; Q147-E230 HydrophobicContact CB-CB 4.29Å; Q147-G231 PolarHBondContact NE2-O 2.75Å; Q147-G231 PolarHBondContact OE1-O 2.84Å
148	N	91.7	Very high	91.6	Very high	46 Å²	46	43.4 Å²	43.4	25%	0.246	24%	0.236	C	C	.	.			trans	-125.9	98.6	-178.3	179	20.2	0	0	0	112.2	H150 V378	N148-H150 VanDerWaalsContact C-N 3.35Å; N148-H150 PolarHBondContact OD1-N 2.9Å; N148-V378 HydrophobicContact CB-CG1 4.15Å
149	V	85.3	Confident	91.4	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.042	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.9	175.4	-61.6	0	0	0	0	114.5	G151 L153 F162 L166 A170 I173 E230	V149-G151 VanDerWaalsContact C-N 3.33Å; V149-L153 HydrophobicContact CB-CD1 4.37Å; V149-F162 HydrophobicContact CG1-CE1 4.39Å; V149-F162 HydrophobicContact CG1-CZ 4.11Å; V149-L166 HydrophobicContact CB-CD1 4.21Å; V149-A170 HydrophobicContact CG2-CB 4.17Å; V149-I173 HydrophobicContact CB-CD1 4.15Å; V149-I173 HydrophobicContact CG1-CD1 3.4Å; V149-I173 VanDerWaalsContact CG1-CD1 3.4Å; V149-I173 HydrophobicContact CG2-CD1 3.64Å; V149-E230 HydrophobicContact CG1-CB 4.03Å; V149-E230 HydrophobicContact CG1-CG 4.36Å
150	H	79.6	Confident	91.2	Very high	156 Å²	156	42 Å²	42	72%	0.722	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	8	175.1	-52.3	-56.1	0	0	0	112.4	N148	N148-H150 VanDerWaalsContact C-N 3.35Å; N148-H150 PolarHBondContact OD1-N 2.9Å
151	G	75.8	Confident	90.9	Very high	39 Å²	39	35.8 Å²	35.8	40%	0.402	20%	0.197	S	C	.	.	S	Bend	trans	-92.6	-165.2	171.4	0	0	0	0	0	112.7	V149 L153	V149-G151 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 2.89Å
152	V	78.8	Confident	90.6	Very high	113 Å²	113	32.1 Å²	32.1	69%	0.685	18%	0.181	S	C	*	.			trans	-77.1	110.2	171.3	178.9	0	0	0	0	108.7
153	L	83	Confident	90.3	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.131	18%	0.181	C	C	.	.			trans	-87.3	145.6	178.3	-73	174.6	0	0	0	111.9	V149 G151 E155 L158 L166 E230	V149-L153 HydrophobicContact CB-CD1 4.37Å; G151-L153 PolarHBondContact O-N 2.89Å; L153-E155 VanDerWaalsContact C-N 3.26Å; L153-E155 PolarHBondContact O-N 3.04Å; L153-L158 HydrophobicContact CB-CD1 3.86Å; L153-L158 HydrophobicContact CD1-CD1 4.24Å; L153-L158 HydrophobicContact CD2-CD1 4.18Å; L153-L158 HydrophobicContact CG-CD1 4.33Å; L153-L166 HydrophobicContact CD1-CD1 3.83Å; L153-L166 HydrophobicContact CD1-CD2 3.91Å; L153-E230 HydrophobicContact CD2-CG 4.4Å; L153-E230 WeakPolarHBondContact CD2-OE2 3.27Å
154	P	86.3	Confident	89.8	Confident	41 Å²	41	33 Å²	33	27%	0.266	18%	0.182	S	C	.	.			trans	-81.9	69.7	173.8	34.6	-34.7	0	0	0	110.3	I156 M157 L158 S227	P154-I156 PolarHBondContact O-N 2.76Å; P154-M157 HydrophobicContact CB-CB 4.49Å; P154-M157 HydrophobicContact CB-CG 4.31Å; P154-M157 HydrophobicContact CB-SD 4.25Å; P154-M157 PolarHBondContact O-N 2.99Å; P154-L158 PolarHBondContact O-N 2.73Å; P154-S227 WeakPolarHBondContact CG-OG 3.06Å
155	E	87.6	Confident	89.4	Confident	98 Å²	98	34.3 Å²	34.3	46%	0.458	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-52.4	-33.2	-173.3	-63.6	-171.6	-146.1	0	0	114.1	L153 M157 L158 T163	L153-E155 VanDerWaalsContact C-N 3.26Å; L153-E155 PolarHBondContact O-N 3.04Å; E155-M157 PolarHBondContact O-N 2.83Å; E155-M157 VanDerWaalsContact O-N 3.14Å; E155-L158 PolarHBondContact O-N 3.16Å; E155-L158 VanDerWaalsContact O-N 3.13Å; E155-T163 HydrophobicContact CB-CG2 4.21Å; E155-T163 HydrophobicContact CG-CG2 3.9Å
156	I	89.8	Confident	89	Confident	32 Å²	32	36.8 Å²	36.8	16%	0.164	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-65.4	-9.2	175.9	66.2	-179.2	0	0	0	115.3	P154 Y387 K429 F494	P154-I156 PolarHBondContact O-N 2.76Å; I156-Y387 HydrophobicContact CD1-CD1 3.55Å; I156-Y387 HydrophobicContact CD1-CE1 3.68Å; I156-K429 HydrophobicContact CG2-CB 4.29Å; I156-K429 WeakPolarHBondContact CG2-O 3.36Å; I156-F494 HydrophobicContact CB-CE1 4.28Å; I156-F494 HydrophobicContact CB-CZ 4.41Å; I156-F494 HydrophobicContact CD1-CZ 4.27Å
157	M	91.3	Very high	88.7	Confident	17 Å²	17	43.8 Å²	43.8	8%	0.084	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-112.8	-13.3	174.3	-55.1	-175.3	-169.2	0	0	112.6	P154 E155 W338 I389	P154-M157 HydrophobicContact CB-CB 4.49Å; P154-M157 HydrophobicContact CB-CG 4.31Å; P154-M157 HydrophobicContact CB-SD 4.25Å; P154-M157 PolarHBondContact O-N 2.99Å; E155-M157 PolarHBondContact O-N 2.83Å; E155-M157 VanDerWaalsContact O-N 3.14Å; M157-W338 HydrophobicContact CE-CB 3.81Å; M157-W338 HydrophobicContact CE-CD2 4.45Å; M157-W338 HydrophobicContact CE-CE3 3.93Å; M157-W338 HydrophobicContact CE-CG 4.48Å; M157-W338 HydrophobicContact CG-CD2 4.13Å; M157-W338 HydrophobicContact CG-CE3 3.75Å; M157-W338 HydrophobicContact CG-CZ3 4.01Å; M157-W338 HydrophobicContact SD-CB 3.8Å; M157-W338 HydrophobicContact SD-CD2 4.24Å; M157-W338 HydrophobicContact SD-CE3 4.12Å; M157-W338 HydrophobicContact SD-CG 4.16Å; M157-I389 HydrophobicContact SD-CG2 4.4Å
158	L	93.8	Very high	88.5	Confident	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-90.6	149.3	-173.1	-73.4	169.3	0	0	0	111.4	L153 P154 E155 V160 F162 T163 E230	L153-L158 HydrophobicContact CB-CD1 3.86Å; L153-L158 HydrophobicContact CD1-CD1 4.24Å; L153-L158 HydrophobicContact CD2-CD1 4.18Å; L153-L158 HydrophobicContact CG-CD1 4.33Å; P154-L158 PolarHBondContact O-N 2.73Å; E155-L158 PolarHBondContact O-N 3.16Å; E155-L158 VanDerWaalsContact O-N 3.13Å; L158-V160 PolarHBondContact O-N 3.26Å; L158-F162 HydrophobicContact CD1-CD1 4.32Å; L158-F162 HydrophobicContact CD1-CE1 4.41Å; L158-F162 HydrophobicContact CD2-CD1 4.29Å; L158-F162 HydrophobicContact CD2-CE1 4.38Å; L158-T163 HydrophobicContact CB-CG2 3.74Å; L158-T163 HydrophobicContact CD1-CG2 3.79Å; L158-T163 HydrophobicContact CG-CG2 4.43Å; L158-E230 HydrophobicContact CD2-CG 4.23Å
159	P	93.8	Very high	88.5	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.058	24%	0.241	C	C	.	.			trans	-58.8	137.8	171.2	-24.3	34.9	0	0	0	111.6	W161 F162 T163 H539	P159-W161 VanDerWaalsContact C-N 3.26Å; P159-W161 HydrophobicContact CB-CD2 4.09Å; P159-W161 HydrophobicContact CB-CG 4.24Å; P159-W161 HydrophobicContact CB-CZ2 3.9Å; P159-W161 HydrophobicContact CG-CZ2 4.02Å; P159-W161 PolarHBondContact O-N 3.2Å; P159-F162 HydrophobicContact CB-CB 4.24Å; P159-F162 VanDerWaalsContact O-CB 3.32Å; P159-F162 WeakPolarHBondContact O-CB 3.11Å; P159-F162 PolarHBondContact O-N 3.38Å; P159-T163 PolarHBondContact O-N 2.87Å; P159-T163 PolarHBondContact O-OG1 3.06Å; P159-H539 VanDerWaalsContact CA-O 3.32Å; P159-H539 WeakPolarHBondContact CA-O 3.36Å
160	V	92.7	Very high	88.9	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-37.5	-176.5	178.1	0	0	0	0	111.4	L158 F162 T163 D164 L428 A538 H539	L158-V160 PolarHBondContact O-N 3.26Å; V160-F162 PolarHBondContact O-N 3.08Å; V160-T163 PolarHBondContact O-N 3.17Å; V160-T163 PolarHBondContact O-OG1 3.24Å; V160-D164 VanDerWaalsContact O-CB 3.29Å; V160-D164 WeakPolarHBondContact O-CB 3.49Å; V160-D164 PolarHBondContact O-N 3.07Å; V160-L428 HydrophobicContact CG1-CD2 4.46Å; V160-L428 HydrophobicContact CG2-CD2 4.3Å; V160-A538 HydrophobicContact CG2-CB 3.86Å; V160-H539 PolarHBondContact N-O 3.28Å
161	W	91.8	Very high	89.6	Confident	22 Å²	22	38.3 Å²	38.3	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-23.4	175.2	60.6	-103.5	0	0	0	113.8	P159 N165 F236 G540 I543 L557 F558	P159-W161 VanDerWaalsContact C-N 3.26Å; P159-W161 HydrophobicContact CB-CD2 4.09Å; P159-W161 HydrophobicContact CB-CG 4.24Å; P159-W161 HydrophobicContact CB-CZ2 3.9Å; P159-W161 HydrophobicContact CG-CZ2 4.02Å; P159-W161 PolarHBondContact O-N 3.2Å; W161-N165 WeakPolarHBondContact O-CB 3.17Å; W161-N165 PolarHBondContact O-ND2 2.88Å; W161-F236 AromaticContact CH2-CE1 4Å; W161-F236 HydrophobicContact CH2-CE1 4Å; W161-F236 AromaticContact CH2-CZ 3.69Å; W161-F236 HydrophobicContact CH2-CZ 3.69Å; W161-F236 AromaticContact CZ2-CE1 3.93Å; W161-F236 HydrophobicContact CZ2-CE1 3.93Å; W161-F236 AromaticContact CZ2-CZ 3.93Å; W161-F236 HydrophobicContact CZ2-CZ 3.93Å; W161-G540 VanDerWaalsContact CD1-O 3.3Å; W161-G540 PolarHBondContact NE1-O 2.83Å; W161-I543 HydrophobicContact CZ2-CG2 4.41Å; W161-L557 HydrophobicContact CE3-CD1 4.14Å; W161-L557 HydrophobicContact CE3-CD2 4.5Å; W161-L557 HydrophobicContact CE3-CG 4.19Å; W161-L557 HydrophobicContact CZ3-CD1 4.09Å; W161-L557 HydrophobicContact CZ3-CD2 4.08Å; W161-L557 HydrophobicContact CZ3-CG 4.21Å; W161-F558 HydrophobicContact CB-CD1 4.14Å; W161-F558 HydrophobicContact CB-CE1 4.03Å; W161-F558 AromaticContact CD1-CE1 3.98Å; W161-F558 HydrophobicContact CD2-CD1 4.47Å; W161-F558 AromaticContact CD2-CE1 3.54Å; W161-F558 HydrophobicContact CD2-CE1 3.54Å; W161-F558 HydrophobicContact CD2-CZ 4.16Å; W161-F558 AromaticContact CE2-CE1 3.99Å; W161-F558 AromaticContact CE3-CE1 3.88Å; W161-F558 HydrophobicContact CE3-CE1 3.88Å; W161-F558 HydrophobicContact CE3-CZ 4.23Å; W161-F558 HydrophobicContact CG-CD1 4.21Å; W161-F558 AromaticContact CG-CE1 3.59Å; W161-F558 HydrophobicContact CG-CE1 3.59Å
162	F	92.9	Very high	90.4	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-81.2	-42.1	179.3	-176.8	-79.8	0	0	0	111.2	V149 L158 P159 V160 L166 A169 E230 M235	V149-F162 HydrophobicContact CG1-CE1 4.39Å; V149-F162 HydrophobicContact CG1-CZ 4.11Å; L158-F162 HydrophobicContact CD1-CD1 4.32Å; L158-F162 HydrophobicContact CD1-CE1 4.41Å; L158-F162 HydrophobicContact CD2-CD1 4.29Å; L158-F162 HydrophobicContact CD2-CE1 4.38Å; P159-F162 HydrophobicContact CB-CB 4.24Å; P159-F162 VanDerWaalsContact O-CB 3.32Å; P159-F162 WeakPolarHBondContact O-CB 3.11Å; P159-F162 PolarHBondContact O-N 3.38Å; V160-F162 PolarHBondContact O-N 3.08Å; F162-L166 HydrophobicContact CD1-CD1 4.21Å; F162-L166 HydrophobicContact CE1-CD1 3.85Å; F162-L166 WeakPolarHBondContact O-CA 3.46Å; F162-L166 PolarHBondContact O-N 3.36Å; F162-A169 HydrophobicContact CD2-CB 4.17Å; F162-A169 HydrophobicContact CE2-CB 4.15Å; F162-A169 HydrophobicContact CZ-CB 4.47Å; F162-E230 HydrophobicContact CE1-CG 4.21Å; F162-E230 HydrophobicContact CZ-CB 4.46Å; F162-E230 HydrophobicContact CZ-CG 3.91Å; F162-M235 HydrophobicContact CD2-CE 4.43Å; F162-M235 HydrophobicContact CD2-SD 4.33Å; F162-M235 HydrophobicContact CE2-CE 3.81Å; F162-M235 HydrophobicContact CE2-SD 4.06Å
163	T	90.3	Very high	91.2	Very high	20 Å²	20	35.4 Å²	35.4	12%	0.123	19%	0.193	C	C	.	.	H	α-helix	trans	-76.6	-43.7	179.8	43.6	0	0	0	0	112	E155 L158 P159 V160 N165 L166	E155-T163 HydrophobicContact CB-CG2 4.21Å; E155-T163 HydrophobicContact CG-CG2 3.9Å; L158-T163 HydrophobicContact CB-CG2 3.74Å; L158-T163 HydrophobicContact CD1-CG2 3.79Å; L158-T163 HydrophobicContact CG-CG2 4.43Å; P159-T163 PolarHBondContact O-N 2.87Å; P159-T163 PolarHBondContact O-OG1 3.06Å; V160-T163 PolarHBondContact O-N 3.17Å; V160-T163 PolarHBondContact O-OG1 3.24Å; T163-N165 VanDerWaalsContact C-N 3.25Å; T163-N165 PolarHBondContact O-N 2.93Å; T163-L166 PolarHBondContact O-N 3.49Å
164	D	89.1	Confident	91.7	Very high	45 Å²	45	41.9 Å²	41.9	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-24.4	177.7	-78.6	26	0	0	0	113.1	V160 K429 T530	V160-D164 VanDerWaalsContact O-CB 3.29Å; V160-D164 WeakPolarHBondContact O-CB 3.49Å; V160-D164 PolarHBondContact O-N 3.07Å; D164-K429 IonicContact OD1-NZ 2.75Å; D164-K429 PolarHBondContact OD1-NZ 2.85Å; D164-T530 VanDerWaalsContact OD2-CB 3.31Å; D164-T530 WeakPolarHBondContact OD2-CB 3.35Å; D164-T530 PolarHBondContact OD2-OG1 3.21Å
165	N	89.8	Confident	92.2	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.16	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	35	-178.5	-53.7	-81.3	0	0	0	112.8	W161 T163 D167 V168 A169 P559	W161-N165 WeakPolarHBondContact O-CB 3.17Å; W161-N165 PolarHBondContact O-ND2 2.88Å; T163-N165 VanDerWaalsContact C-N 3.25Å; T163-N165 PolarHBondContact O-N 2.93Å; N165-D167 VanDerWaalsContact C-N 3.28Å; N165-D167 PolarHBondContact O-N 3.2Å; N165-D167 VanDerWaalsContact O-N 3.15Å; N165-V168 PolarHBondContact O-N 3.42Å; N165-A169 PolarHBondContact O-N 2.82Å; N165-P559 WeakPolarHBondContact OD1-CG 3.39Å
166	L	91.1	Very high	92.7	Very high	54 Å²	54	43 Å²	43	28%	0.283	23%	0.227	S	C	.	.	H	α-helix	trans	-57.3	-33.9	-168.4	-167.8	62.9	0	0	0	114.5	V149 L153 F162 T163 V168 A169 A170	V149-L166 HydrophobicContact CB-CD1 4.21Å; L153-L166 HydrophobicContact CD1-CD1 3.83Å; L153-L166 HydrophobicContact CD1-CD2 3.91Å; F162-L166 HydrophobicContact CD1-CD1 4.21Å; F162-L166 HydrophobicContact CE1-CD1 3.85Å; F162-L166 WeakPolarHBondContact O-CA 3.46Å; F162-L166 PolarHBondContact O-N 3.36Å; T163-L166 PolarHBondContact O-N 3.49Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-V168 PolarHBondContact O-N 3.2Å; L166-A169 PolarHBondContact O-N 3.49Å; L166-A170 WeakPolarHBondContact O-CB 3.01Å; L166-A170 PolarHBondContact O-N 3.49Å
167	D	91.3	Very high	93.1	Very high	150 Å²	150	43.1 Å²	43.1	80%	0.802	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-38.4	176.5	-79	-31.6	0	0	0	112.6	N165 G171	N165-D167 VanDerWaalsContact C-N 3.28Å; N165-D167 PolarHBondContact O-N 3.2Å; N165-D167 VanDerWaalsContact O-N 3.15Å; D167-G171 PolarHBondContact O-N 3.48Å
168	V	92.8	Very high	93.5	Very high	47 Å²	47	43.7 Å²	43.7	29%	0.285	23%	0.234	S	C	.	.	H	α-helix	trans	-74.7	-42.9	176.4	-178.9	0	0	0	0	110.1	N165 L166 A170 G171 Y172 D556 L557	N165-V168 PolarHBondContact O-N 3.42Å; L166-V168 VanDerWaalsContact C-N 3.35Å; L166-V168 PolarHBondContact O-N 3.2Å; V168-A170 VanDerWaalsContact C-N 3.29Å; V168-A170 PolarHBondContact O-N 3.4Å; V168-G171 WeakPolarHBondContact O-CA 3.04Å; V168-G171 PolarHBondContact O-N 3.06Å; V168-Y172 HydrophobicContact CG1-CE2 4.25Å; V168-Y172 WeakPolarHBondContact O-CD2 3.04Å; V168-Y172 PolarHBondContact O-N 2.95Å; V168-D556 HydrophobicContact CG1-CB 3.77Å; V168-D556 HydrophobicContact CG2-CB 4.39Å; V168-L557 HydrophobicContact CG1-CB 4.3Å; V168-L557 HydrophobicContact CG1-CD1 4.39Å
169	A	92.3	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-42.9	174.6	0	0	0	0	0	111.4	F162 N165 L166 G171 Y172 M235 L557	F162-A169 HydrophobicContact CD2-CB 4.17Å; F162-A169 HydrophobicContact CE2-CB 4.15Å; F162-A169 HydrophobicContact CZ-CB 4.47Å; N165-A169 PolarHBondContact O-N 2.82Å; L166-A169 PolarHBondContact O-N 3.49Å; A169-G171 PolarHBondContact O-N 2.04Å; A169-Y172 PolarHBondContact O-N 3.27Å; A169-Y172 VanDerWaalsContact O-N 3.13Å; A169-M235 HydrophobicContact CB-CE 3.97Å; A169-M235 VanDerWaalsContact O-CE 3.24Å; A169-M235 WeakPolarHBondContact O-CE 3.48Å; A169-L557 HydrophobicContact CB-CD1 4.28Å
170	A	92.4	Very high	94	Very high	12 Å²	12	45.5 Å²	45.5	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-35.8	173.1	0	0	0	0	0	112.3	V149 L166 V168 Y172 I173 Q174	V149-A170 HydrophobicContact CG2-CB 4.17Å; L166-A170 WeakPolarHBondContact O-CB 3.01Å; L166-A170 PolarHBondContact O-N 3.49Å; V168-A170 VanDerWaalsContact C-N 3.29Å; V168-A170 PolarHBondContact O-N 3.4Å; A170-Y172 VanDerWaalsContact C-N 3.32Å; A170-Y172 PolarHBondContact O-N 2.8Å; A170-I173 CarbonylContact O-C 3.54Å; A170-I173 WeakPolarHBondContact O-CG1 3.41Å; A170-I173 PolarHBondContact O-N 3.08Å; A170-I173 VanDerWaalsContact O-N 3.07Å; A170-Q174 VanDerWaalsContact O-CG 3.22Å; A170-Q174 WeakPolarHBondContact O-CG 3.45Å; A170-Q174 PolarHBondContact O-N 3Å
171	G	94.3	Very high	94.3	Very high	38 Å²	38	45.2 Å²	45.2	39%	0.392	24%	0.242	S	C	.	.	H	α-helix	trans	-53	-42.2	172.3	0	0	0	0	0	114.2	D167 V168 A169 I173	D167-G171 PolarHBondContact O-N 3.48Å; V168-G171 WeakPolarHBondContact O-CA 3.04Å; V168-G171 PolarHBondContact O-N 3.06Å; A169-G171 PolarHBondContact O-N 2.04Å; G171-I173 VanDerWaalsContact C-N 3.25Å; G171-I173 PolarHBondContact O-N 3.33Å
172	Y	94.4	Very high	94.6	Very high	88 Å²	88	45 Å²	45	35%	0.345	24%	0.241	S	C	.	.	H	α-helix	trans	-70.9	-17.5	178.3	-77.4	-95.6	0	0	0	113.9	V168 A169 A170 N234 M235 L557	V168-Y172 HydrophobicContact CG1-CE2 4.25Å; V168-Y172 WeakPolarHBondContact O-CD2 3.04Å; V168-Y172 PolarHBondContact O-N 2.95Å; A169-Y172 PolarHBondContact O-N 3.27Å; A169-Y172 VanDerWaalsContact O-N 3.13Å; A170-Y172 VanDerWaalsContact C-N 3.32Å; A170-Y172 PolarHBondContact O-N 2.8Å; Y172-N234 WeakPolarHBondContact CD1-O 3.49Å; Y172-N234 WeakPolarHBondContact CE1-O 3.49Å; Y172-M235 HydrophobicContact CD1-CG 4.03Å; Y172-M235 HydrophobicContact CD2-CG 4.21Å; Y172-M235 HydrophobicContact CG-CG 3.76Å; Y172-L557 HydrophobicContact CE2-CB 4.44Å; Y172-L557 HydrophobicContact CE2-CD2 4.39Å
173	I	94.7	Very high	94.9	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	16.7	-172.1	62	173.8	0	0	0	113.7	V144 Q147 V149 A170 G171 Q176 T232 M235	V144-I173 HydrophobicContact CG1-CG2 4.31Å; V144-I173 HydrophobicContact CG2-CB 3.88Å; V144-I173 HydrophobicContact CG2-CG2 4.01Å; Q147-I173 HydrophobicContact CG-CB 4.42Å; Q147-I173 HydrophobicContact CG-CD1 4.12Å; V149-I173 HydrophobicContact CB-CD1 4.15Å; V149-I173 HydrophobicContact CG1-CD1 3.4Å; V149-I173 VanDerWaalsContact CG1-CD1 3.4Å; V149-I173 HydrophobicContact CG2-CD1 3.64Å; A170-I173 CarbonylContact O-C 3.54Å; A170-I173 WeakPolarHBondContact O-CG1 3.41Å; A170-I173 PolarHBondContact O-N 3.08Å; A170-I173 VanDerWaalsContact O-N 3.07Å; G171-I173 VanDerWaalsContact C-N 3.25Å; G171-I173 PolarHBondContact O-N 3.33Å; I173-Q176 WeakPolarHBondContact O-CG 3.4Å; I173-Q176 PolarHBondContact O-NE2 2.65Å; I173-T232 HydrophobicContact CG2-CG2 3.73Å; I173-M235 HydrophobicContact CG2-CE 3.93Å
174	Q	93.7	Very high	95.3	Very high	161 Å²	161	43.8 Å²	43.8	75%	0.752	23%	0.234	S	C	*	.	S	Bend	trans	-66.7	-36.2	174.2	-58.8	-173.6	-2.3	0	0	112.4	A170 Q176	A170-Q174 VanDerWaalsContact O-CG 3.22Å; A170-Q174 WeakPolarHBondContact O-CG 3.45Å; A170-Q174 PolarHBondContact O-N 3Å; Q174-Q176 PolarHBondContact O-N 2.85Å
175	N	96.9	Very high	95.7	Very high	101 Å²	101	41.7 Å²	41.7	54%	0.54	22%	0.222	S	C	.	.	S	Bend	trans	-93.2	89.7	-177.6	-176.7	22	0	0	0	110.6	P143 V144	P143-N175 CarbonylContact C-O 3.41Å; P143-N175 VanDerWaalsContact CA-O 3.26Å; P143-N175 WeakPolarHBondContact CA-O 3.37Å; P143-N175 WeakPolarHBondContact CB-O 3.39Å; V144-N175 PolarHBondContact N-O 2.79Å
176	Q	98.3	Very high	96.2	Very high	60 Å²	60	40.2 Å²	40.2	28%	0.28	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-107	144.9	-175.4	-50.6	-169	1.9	0	0	112.8	V144 Q147 I173 Q174	V144-Q176 HydrophobicContact CG2-CB 4.4Å; V144-Q176 HydrophobicContact CG2-CG 3.83Å; V144-Q176 WeakPolarHBondContact O-CA 3.46Å; Q147-Q176 PolarHBondContact O-NE2 2.97Å; Q147-Q176 PolarHBondContact O-OE1 3.1Å; I173-Q176 WeakPolarHBondContact O-CG 3.4Å; I173-Q176 PolarHBondContact O-NE2 2.65Å; Q174-Q176 PolarHBondContact O-N 2.85Å
177	S	98.6	Very high	96.5	Very high	36 Å²	36	38.2 Å²	38.2	25%	0.252	21%	0.205	S	C	.	.			trans	-152.2	153.1	173.9	-175.5	0	0	0	0	110.8	V144 P146 D179 C180	V144-S177 PolarHBondContact O-N 2.83Å; P146-S177 VanDerWaalsContact CD-O 3.27Å; P146-S177 WeakPolarHBondContact CD-O 3.37Å; P146-S177 WeakPolarHBondContact CG-O 3.4Å; S177-D179 VanDerWaalsContact C-N 3.25Å; S177-D179 WeakPolarHBondContact CB-O 3.43Å; S177-D179 PolarHBondContact OG-N 2.6Å; S177-D179 PolarHBondContact OG-O 2.86Å; S177-C180 WeakPolarHBondContact O-CB 3.47Å
178	E	98.6	Very high	96.7	Very high	28 Å²	28	31.3 Å²	31.3	13%	0.131	17%	0.168	C	C	.	.	S	Bend	trans	-70	-25.3	164.4	-72	-177.9	-105.9	0	0	111.9	P117 I118 R122 P146 C180 L259 F374	P117-E178 VanDerWaalsContact CD-O 3.31Å; P117-E178 WeakPolarHBondContact CD-O 3.38Å; P117-E178 WeakPolarHBondContact CG-O 3.29Å; I118-E178 HydrophobicContact CG2-CB 3.58Å; R122-E178 IonicContact CZ-OE1 3.44Å; R122-E178 IonicContact CZ-OE2 3.5Å; R122-E178 VanDerWaalsContact CZ-OE2 3.26Å; R122-E178 IonicContact NE-OE1 3.41Å; R122-E178 IonicContact NE-OE2 2.69Å; R122-E178 PolarHBondContact NE-OE2 2.63Å; R122-E178 IonicContact NH2-OE1 3.22Å; R122-E178 PolarHBondContact NH2-OE1 2.51Å; R122-E178 IonicContact NH2-OE2 2.73Å; R122-E178 PolarHBondContact NH2-OE2 2.87Å; P146-E178 HydrophobicContact CG-CG 4.11Å; E178-C180 VanDerWaalsContact C-N 3.33Å; E178-C180 PolarHBondContact O-N 2.89Å; E178-C180 VanDerWaalsContact O-N 3.1Å; E178-L259 HydrophobicContact CG-CD1 4.17Å; E178-F374 HydrophobicContact CG-CB 3.76Å; E178-F374 HydrophobicContact CG-CD1 3.79Å; E178-F374 HydrophobicContact CG-CG 4.04Å; E178-F374 WeakPolarHBondContact OE1-CD1 3.03Å
179	D	98.6	Very high	96.4	Very high	50 Å²	50	30 Å²	30	27%	0.267	16%	0.16	S	C	.	.			trans	-77.7	86	163	-179	32.4	0	0	0	109.2	A116 S177 Y182	A116-D179 HydrophobicContact CB-CB 3.85Å; A116-D179 WeakPolarHBondContact CB-OD1 3.48Å; S177-D179 VanDerWaalsContact C-N 3.25Å; S177-D179 WeakPolarHBondContact CB-O 3.43Å; S177-D179 PolarHBondContact OG-N 2.6Å; S177-D179 PolarHBondContact OG-O 2.86Å; D179-Y182 WeakPolarHBondContact OD1-CE2 3.36Å; D179-Y182 PolarHBondContact OD1-OH 3.08Å; D179-Y182 PolarHBondContact OD2-OH 3.28Å
180	C	98.8	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.			trans	-132.8	4.3	-175.4	66	0	0	0	0	114.8	C145 S177 E178 Y182 N253	C145-C180 VanDerWaalsContact CA-CB 3.48Å; C145-C180 WeakPolarHBondContact CA-SG 3.42Å; C145-C180 HydrophobicContact CB-CB 3.82Å; C145-C180 WeakPolarHBondContact CB-SG 3.39Å; C145-C180 WeakPolarHBondContact SG-CB 3.36Å; C145-C180 CovalentContact SG-SG 2.03Å; C145-C180 PolarHBondContact SG-SG 3.19Å; S177-C180 WeakPolarHBondContact O-CB 3.47Å; E178-C180 VanDerWaalsContact C-N 3.33Å; E178-C180 PolarHBondContact O-N 2.89Å; E178-C180 VanDerWaalsContact O-N 3.1Å; C180-Y182 VanDerWaalsContact C-CD2 3.43Å; C180-Y182 PolarHBondContact O-N 3.42Å; C180-N253 WeakPolarHBondContact O-CB 3.26Å
181	L	98.9	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.			trans	-79.2	69.5	-175.3	-57.4	-171.5	0	0	0	112	Y113 A114 P117 P126 R255 D277	Y113-L181 WeakPolarHBondContact CD1-O 3.34Å; Y113-L181 HydrophobicContact CE1-CB 4.12Å; Y113-L181 HydrophobicContact CE2-CB 4.39Å; Y113-L181 PolarHBondContact N-O 2.82Å; A114-L181 HydrophobicContact CB-CB 3.93Å; A114-L181 HydrophobicContact CB-CD1 3.63Å; A114-L181 HydrophobicContact CB-CG 4.44Å; P117-L181 HydrophobicContact CB-CD1 4.27Å; P117-L181 HydrophobicContact CG-CD1 3.86Å; P117-L181 HydrophobicContact CG-CD2 4.48Å; P117-L181 HydrophobicContact CG-CG 3.98Å; P126-L181 HydrophobicContact CB-CD1 4.08Å; L181-R255 HydrophobicContact CD2-CG 4.13Å; L181-D277 HydrophobicContact CD2-CB 4.33Å; L181-D277 WeakPolarHBondContact CD2-OD2 3.42Å
182	Y	98.9	Very high	91.4	Very high	16 Å²	16	38.3 Å²	38.3	6%	0.063	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.3	-173.4	-66.4	-80	0	0	0	111.4	G110 V111 P112 R136 A142 D179 C180 N253	G110-Y182 VanDerWaalsContact O-CD1 3.3Å; G110-Y182 WeakPolarHBondContact O-CD1 3.37Å; V111-Y182 WeakPolarHBondContact O-CA 3.14Å; P112-Y182 HydrophobicContact CB-CD1 3.99Å; P112-Y182 HydrophobicContact CB-CE1 3.63Å; P112-Y182 HydrophobicContact CG-CE1 4.24Å; R136-Y182 VanDerWaalsContact NH2-CE1 3.34Å; R136-Y182 PolarHBondContact NH2-OH 3.32Å; A142-Y182 HydrophobicContact CB-CD1 3.76Å; A142-Y182 HydrophobicContact CB-CD2 3.34Å; A142-Y182 HydrophobicContact CB-CE1 4.22Å; A142-Y182 HydrophobicContact CB-CE2 3.87Å; A142-Y182 HydrophobicContact CB-CG 3.31Å; D179-Y182 WeakPolarHBondContact OD1-CE2 3.36Å; D179-Y182 PolarHBondContact OD1-OH 3.08Å; D179-Y182 PolarHBondContact OD2-OH 3.28Å; C180-Y182 VanDerWaalsContact C-CD2 3.43Å; C180-Y182 PolarHBondContact O-N 3.42Å; Y182-N253 PolarHBondContact O-N 3.24Å
183	L	98.8	Very high	89.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	161	171.2	61.4	78	0	0	0	111.5	G110 V111 Y113 I185 V250 T251 M252 A281 W284 L285	G110-L183 PolarHBondContact N-O 3.43Å; V111-L183 HydrophobicContact CB-CD1 4.01Å; V111-L183 WeakPolarHBondContact CB-O 3.27Å; V111-L183 HydrophobicContact CG1-CD1 4.34Å; V111-L183 PolarHBondContact N-O 3.23Å; V111-L183 PolarHBondContact O-N 2.87Å; Y113-L183 HydrophobicContact CD1-CB 4.09Å; Y113-L183 HydrophobicContact CD1-CD2 3.93Å; Y113-L183 HydrophobicContact CD1-CG 4.02Å; Y113-L183 HydrophobicContact CG-CD2 4.02Å; Y113-L183 HydrophobicContact CG-CG 4.47Å; L183-I185 HydrophobicContact CD1-CD1 3.85Å; L183-I185 HydrophobicContact CD1-CG1 3.53Å; L183-V250 HydrophobicContact CB-CG1 4.1Å; L183-V250 HydrophobicContact CD1-CG1 4.04Å; L183-V250 HydrophobicContact CD2-CG1 4.34Å; L183-V250 HydrophobicContact CG-CG1 4.4Å; L183-T251 CarbonylContact C-O 3.59Å; L183-T251 WeakPolarHBondContact CA-O 3.31Å; L183-T251 WeakPolarHBondContact CB-O 3.47Å; L183-M252 HydrophobicContact CB-CB 3.94Å; L183-A281 HydrophobicContact CD2-CB 4.29Å; L183-W284 HydrophobicContact CD1-CE3 4.42Å; L183-W284 HydrophobicContact CD1-CZ3 4.07Å; L183-W284 HydrophobicContact CD2-CE3 4Å; L183-W284 HydrophobicContact CD2-CZ3 4.45Å; L183-L285 HydrophobicContact CD2-CD2 4.41Å; L183-L285 HydrophobicContact CD2-CG 4.37Å
184	N	98.9	Very high	87.2	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.3	-177.9	-50.9	-57	0	0	0	108.7	Y108 L109 G110 F141 Y186 N234 V250 T251	Y108-N184 CarbonylContact O-C 3.14Å; Y108-N184 VanDerWaalsContact O-CA 3.31Å; Y108-N184 WeakPolarHBondContact O-CA 3.46Å; L109-N184 WeakPolarHBondContact CA-OD1 3.05Å; L109-N184 HydrophobicContact CD2-CB 3.87Å; G110-N184 PolarHBondContact N-OD1 2.83Å; F141-N184 WeakPolarHBondContact CD1-OD1 3.38Å; F141-N184 HydrophobicContact CE1-CB 4.39Å; N184-Y186 HydrophobicContact CB-CE2 3.98Å; N184-N234 PolarHBondContact ND2-OD1 3.37Å; N184-V250 CarbonylContact O-C 3.55Å; N184-V250 VanDerWaalsContact O-CA 3.26Å; N184-V250 WeakPolarHBondContact O-CA 3.42Å; N184-T251 PolarHBondContact N-O 2.88Å; N184-T251 PolarHBondContact ND2-OG1 3.04Å; N184-T251 PolarHBondContact O-N 3.21Å
185	I	98.9	Very high	85.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.8	-176.5	-48.8	172.9	0	0	0	109.4	Q107 Y108 L183 V187 I248 V250 W284 I289 F292	Q107-I185 WeakPolarHBondContact CA-O 3.42Å; Y108-I185 PolarHBondContact N-O 3.43Å; Y108-I185 PolarHBondContact O-N 3.34Å; L183-I185 HydrophobicContact CD1-CD1 3.85Å; L183-I185 HydrophobicContact CD1-CG1 3.53Å; I185-V187 HydrophobicContact CG2-CG2 3.83Å; I185-I248 HydrophobicContact CG2-CG2 3.63Å; I185-V250 HydrophobicContact CG1-CG2 4.37Å; I185-V250 HydrophobicContact CG2-CG2 4.31Å; I185-W284 HydrophobicContact CD1-CH2 3.92Å; I185-W284 HydrophobicContact CD1-CZ3 3.85Å; I185-I289 HydrophobicContact CD1-CD1 4.29Å; I185-I289 HydrophobicContact CG2-CD1 4.09Å; I185-F292 HydrophobicContact CD1-CD1 4.19Å; I185-F292 HydrophobicContact CD1-CD2 4.14Å; I185-F292 HydrophobicContact CD1-CE1 3.8Å; I185-F292 HydrophobicContact CD1-CE2 3.74Å; I185-F292 HydrophobicContact CD1-CG 4.35Å; I185-F292 HydrophobicContact CD1-CZ 3.56Å; I185-F292 HydrophobicContact CG2-CD1 4.37Å
186	Y	98.8	Very high	82.6	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.7	179.2	-58.7	-100.1	0	0	0	108.9	Q107 L109 N184 F236 D237 A238 S239 I248 V249 T251	Q107-Y186 HydrophobicContact CG-CD1 4.05Å; Q107-Y186 HydrophobicContact CG-CE1 4.34Å; L109-Y186 HydrophobicContact CD2-CE1 4.46Å; N184-Y186 HydrophobicContact CB-CE2 3.98Å; Y186-F236 PolarHBondContact OH-O 3.03Å; Y186-D237 WeakPolarHBondContact CE1-OD1 3.37Å; Y186-A238 HydrophobicContact CD1-CB 4.42Å; Y186-A238 HydrophobicContact CD2-CB 3.74Å; Y186-A238 HydrophobicContact CE2-CB 3.95Å; Y186-A238 HydrophobicContact CG-CB 3.99Å; Y186-S239 WeakPolarHBondContact CD1-OG 3.28Å; Y186-I248 WeakPolarHBondContact O-CA 3.33Å; Y186-V249 PolarHBondContact N-O 3.41Å; Y186-V249 PolarHBondContact O-N 2.95Å; Y186-V249 VanDerWaalsContact O-N 3.09Å; Y186-T251 HydrophobicContact CE2-CG2 4.03Å
187	V	97.9	Very high	80.1	Confident	12 Å²	12	42.6 Å²	42.6	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.5	-175	-172.2	0	0	0	0	109.9	V105 E106 Y108 I185 I248 F292	V105-V187 CarbonylContact C-O 3.49Å; V105-V187 VanDerWaalsContact CA-O 3.29Å; V105-V187 WeakPolarHBondContact CA-O 3.49Å; V105-V187 WeakPolarHBondContact CB-O 3.35Å; E106-V187 HydrophobicContact CB-CB 4.28Å; E106-V187 PolarHBondContact N-O 2.86Å; E106-V187 PolarHBondContact O-N 2.87Å; Y108-V187 HydrophobicContact CD2-CG2 4.36Å; Y108-V187 HydrophobicContact CE2-CG2 4.22Å; I185-V187 HydrophobicContact CG2-CG2 3.83Å; V187-I248 HydrophobicContact CG1-CD1 4.11Å; V187-I248 HydrophobicContact CG1-CG1 4.16Å; V187-I248 HydrophobicContact CG2-CD1 4.21Å; V187-I248 HydrophobicContact CG2-CG1 4.41Å; V187-I248 HydrophobicContact CG2-CG2 4.41Å; V187-F292 HydrophobicContact CG2-CB 4.14Å; V187-F292 HydrophobicContact CG2-CD1 4.32Å
188	P	94.7	Very high	77.1	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.7	179.1	31.2	-33.3	0	0	0	111.4	K217 A242 V247	P188-K217 HydrophobicContact CG-CD 3.72Å; P188-K217 WeakPolarHBondContact O-CE 3.37Å; P188-A242 WeakPolarHBondContact CB-O 3.5Å; P188-V247 VanDerWaalsContact CD-O 3.24Å; P188-V247 WeakPolarHBondContact CD-O 3.31Å; P188-V247 WeakPolarHBondContact CG-O 3.49Å
189	T	87.4	Confident	74.4	Confident	18 Å²	18	51 Å²	51	11%	0.11	27%	0.266	C	S	.	.			trans	-83.4	159.2	176.3	69.8	0	0	0	0	111.8	P104 E106 D191	P104-T189 WeakPolarHBondContact CG-OG1 3.18Å; P104-T189 WeakPolarHBondContact O-CB 3.26Å; P104-T189 WeakPolarHBondContact O-CG2 3.43Å; P104-T189 PolarHBondContact O-N 3.15Å; P104-T189 VanDerWaalsContact O-N 3.14Å; P104-T189 PolarHBondContact O-OG1 3.18Å; E106-T189 HydrophobicContact CG-CG2 3.93Å; T189-D191 VanDerWaalsContact C-N 3.27Å; T189-D191 PolarHBondContact O-N 2.91Å
190	E	67.4	Low	71.6	Confident	138 Å²	138	58.3 Å²	58.3	65%	0.645	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	2.2	-177.3	-57.1	-172.9	157.2	0	0	113.1	G192 T195 K217	E190-G192 VanDerWaalsContact C-N 3.29Å; E190-G192 PolarHBondContact O-N 2.78Å; E190-T195 PolarHBondContact O-OG1 2.89Å; E190-K217 IonicContact OE1-NZ 3.68Å
191	D	57.3	Low	68.9	Low	86 Å²	86	63.7 Å²	63.7	46%	0.46	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.6	-175.5	-66.1	-40.6	0	0	0	114.3	K94 P104 T189 K196	K94-D191 IonicContact NZ-OD2 2.84Å; K94-D191 PolarHBondContact NZ-OD2 3.41Å; P104-D191 HydrophobicContact CG-CB 4.45Å; T189-D191 VanDerWaalsContact C-N 3.27Å; T189-D191 PolarHBondContact O-N 2.91Å; D191-K196 VanDerWaalsContact O-CE 3.28Å; D191-K196 WeakPolarHBondContact O-CE 3.34Å; D191-K196 PolarHBondContact O-NZ 2.9Å
192	G	49.9	Very low	66.1	Low	2 Å²	2	68 Å²	68	2%	0.021	37%	0.366	C	S	.	.	S	Bend	trans	-70.2	151.7	-170	0	0	0	0	0	115.6	E190 L194 T195 K196	E190-G192 VanDerWaalsContact C-N 3.29Å; E190-G192 PolarHBondContact O-N 2.78Å; G192-L194 PolarHBondContact O-N 3.39Å; G192-T195 WeakPolarHBondContact CA-OG1 3.34Å; G192-T195 PolarHBondContact N-OG1 3.28Å; G192-T195 PolarHBondContact O-N 3.15Å; G192-T195 VanDerWaalsContact O-N 3.1Å; G192-T195 PolarHBondContact O-OG1 3.47Å; G192-T195 VanDerWaalsContact O-OG1 3.07Å; G192-K196 PolarHBondContact O-N 3.04Å
193	P	47.1	Very low	63.4	Low	86 Å²	86	75.9 Å²	75.9	56%	0.558	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.8	172.6	-25.8	34.7	0	0	0	114.1
194	L	52.1	Low	60.8	Low	83 Å²	83	83.4 Å²	83.4	44%	0.435	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.8	178	-72	168	0	0	0	114.3	I101 L102 G192	I101-L194 HydrophobicContact CG2-CD1 4.01Å; I101-L194 HydrophobicContact CG2-CD2 4.32Å; I101-L194 HydrophobicContact CG2-CG 3.97Å; L102-L194 HydrophobicContact CD2-CD1 4.06Å; G192-L194 PolarHBondContact O-N 3.39Å
195	T	49.5	Very low	57.9	Low	37 Å²	37	93.1 Å²	93.1	23%	0.227	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-17.8	-175.4	40.9	0	0	0	0	113.7	E190 G192 K197	E190-T195 PolarHBondContact O-OG1 2.89Å; G192-T195 WeakPolarHBondContact CA-OG1 3.34Å; G192-T195 PolarHBondContact N-OG1 3.28Å; G192-T195 PolarHBondContact O-N 3.15Å; G192-T195 VanDerWaalsContact O-N 3.1Å; G192-T195 PolarHBondContact O-OG1 3.47Å; G192-T195 VanDerWaalsContact O-OG1 3.07Å; T195-K197 PolarHBondContact O-N 2.63Å
196	K	46.3	Very low	55.1	Low	141 Å²	141	98.7 Å²	98.7	61%	0.613	52%	0.524	S	S	*	.	S	Bend	trans	-70.5	109.2	171.7	-72.1	176.9	-177.5	170.3	0	111.1	D191 G192	D191-K196 VanDerWaalsContact O-CE 3.28Å; D191-K196 WeakPolarHBondContact O-CE 3.34Å; D191-K196 PolarHBondContact O-NZ 2.9Å; G192-K196 PolarHBondContact O-N 3.04Å
197	K	43.8	Very low	52.4	Low	157 Å²	157	110.2 Å²	110.2	68%	0.683	57%	0.568	S	S	*	*			trans	-60.4	134.3	170.8	-69.4	-175.7	174.4	-175.6	0	111.1	T195 D199	T195-K197 PolarHBondContact O-N 2.63Å; K197-D199 HydrophobicContact CB-CB 4.34Å; K197-D199 VanDerWaalsContact CD-OD2 3.3Å; K197-D199 WeakPolarHBondContact CD-OD2 3.25Å; K197-D199 PolarHBondContact O-N 2.82Å
198	T	36.8	Very low	49.6	Very low	134 Å²	134	117 Å²	117	82%	0.822	60%	0.603	S	S	*	*			trans	-79.6	42.6	176.8	-32.1	0	0	0	0	112.9	E200	T198-E200 PolarHBondContact O-N 2.99Å
199	D	42.2	Very low	46.8	Very low	106 Å²	106	125.6 Å²	125.6	57%	0.567	64%	0.643	S	S	*	*			trans	-90.9	36.3	-169.6	-80.8	-17.3	0	0	0	114	K197	K197-D199 HydrophobicContact CB-CB 4.34Å; K197-D199 VanDerWaalsContact CD-OD2 3.3Å; K197-D199 WeakPolarHBondContact CD-OD2 3.25Å; K197-D199 PolarHBondContact O-N 2.82Å
200	E	40.3	Very low	44.5	Very low	204 Å²	204	132.3 Å²	132.3	95%	0.953	68%	0.678	S	S	*	*	S	Bend	trans	-91.5	1.2	177.1	-73.9	-159.2	145.6	0	0	115	T198	T198-E200 PolarHBondContact O-N 2.99Å
201	S	41.9	Very low	43.1	Very low	113 Å²	113	132.3 Å²	132.3	79%	0.79	68%	0.681	S	S	*	*	S	Bend	trans	-122	-2.8	-171.2	64.2	0	0	0	0	116.9
202	S	38.9	Very low	42.3	Very low	90 Å²	90	137.2 Å²	137.2	63%	0.629	69%	0.693	S	S	*	*			trans	-108.4	58.6	-177.1	65	0	0	0	0	113.9	N204	S202-N204 VanDerWaalsContact C-N 3.27Å; S202-N204 PolarHBondContact O-N 2.82Å
203	M	43.4	Very low	41.9	Very low	182 Å²	182	141.9 Å²	141.9	90%	0.897	72%	0.718	S	S	*	*			trans	-71.6	74.5	177.8	-169.6	169.2	72	0	0	112.8
204	N	43.4	Very low	42	Very low	157 Å²	157	147.4 Å²	147.4	84%	0.84	73%	0.728	S	S	*	*			trans	179.4	101.9	151.1	-94.6	-31.7	0	0	0	112	S202	S202-N204 VanDerWaalsContact C-N 3.27Å; S202-N204 PolarHBondContact O-N 2.82Å
205	K	37.1	Very low	42.9	Very low	205 Å²	205	152.3 Å²	152.3	89%	0.891	74%	0.74	S	S	*	*			trans	-140.8	154.2	153	-93.8	-171.8	178	176.8	0	110.4
206	P	40.2	Very low	44.9	Very low	117 Å²	117	154.9 Å²	154.9	76%	0.76	75%	0.748	S	S	*	*			trans	-68.5	154.8	-173.5	-18.5	32.9	0	0	0	113.1	D208	P206-D208 PolarHBondContact O-N 3.29Å
207	R	43.8	Very low	47.2	Very low	242 Å²	242	149.3 Å²	149.3	91%	0.913	72%	0.724	S	S	*	*			trans	-83.4	101.9	167.2	-72.2	177	173.4	168.9	-3.1	109.7
208	D	37.2	Very low	49.8	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	69%	0.694	S	S	*	*	S	Bend	trans	-142.2	132.3	152.5	-83.6	-52.7	0	0	0	108.3	P206 D210	P206-D208 PolarHBondContact O-N 3.29Å; D208-D210 PolarHBondContact O-N 3.5Å
209	E	36.4	Very low	52.7	Low	185 Å²	185	135.8 Å²	135.8	86%	0.864	66%	0.655	S	S	*	*			trans	48.1	50.5	175.7	-54.7	-153.3	142.5	0	0	119	I211	E209-I211 VanDerWaalsContact C-N 3.34Å; E209-I211 PolarHBondContact O-N 3.41Å
210	D	40.1	Very low	55.4	Low	159 Å²	159	130.7 Å²	130.7	85%	0.85	63%	0.628	S	S	*	*			trans	-76.5	80.9	162.2	-174	8.7	0	0	0	111.6	D208	D208-D210 PolarHBondContact O-N 3.5Å
211	I	38.4	Very low	58.2	Low	139 Å²	139	121 Å²	121	71%	0.713	58%	0.582	S	S	*	*	S	Bend	trans	-131.1	83	171.1	-51.3	-178.2	0	0	0	110.4	E209	E209-I211 VanDerWaalsContact C-N 3.34Å; E209-I211 PolarHBondContact O-N 3.41Å
212	R	39.2	Very low	60.9	Low	188 Å²	188	115.7 Å²	115.7	71%	0.709	55%	0.545	S	S	*	.			trans	61.8	89.4	165.8	-52.7	172.6	179.6	173.5	0.3	115	R214	R212-R214 HydrophobicContact CB-CG 4.23Å; R212-R214 PolarHBondContact O-N 3.44Å
213	D	42	Very low	63.8	Low	101 Å²	101	111.4 Å²	111.4	54%	0.54	52%	0.515	S	S	.	.			trans	-72.7	48.1	164	-159.9	12.8	0	0	0	112.7	R215	D213-R215 PolarHBondContact O-N 2.88Å; D213-R215 WeakPolarHBondContact OD1-CG 3.12Å; D213-R215 IonicContact OD1-CZ 3.2Å; D213-R215 IonicContact OD1-NE 3.18Å; D213-R215 PolarHBondContact OD1-NE 2.94Å; D213-R215 IonicContact OD1-NH2 2.74Å; D213-R215 PolarHBondContact OD1-NH2 3.46Å; D213-R215 IonicContact OD2-CZ 3.96Å; D213-R215 IonicContact OD2-NE 2.61Å; D213-R215 PolarHBondContact OD2-NE 2.03Å; D213-R215 IonicContact OD2-NH2 3.65Å; D213-R215 PolarHBondContact OD2-NH2 3.16Å
214	R	49.6	Very low	66.4	Low	202 Å²	202	102.8 Å²	102.8	76%	0.762	47%	0.472	S	S	*	.			trans	-75.1	67	171.9	-77.2	-177.8	170.7	-163.6	-4.7	109.4	R212 K216	R212-R214 HydrophobicContact CB-CG 4.23Å; R212-R214 PolarHBondContact O-N 3.44Å; R214-K216 PolarHBondContact O-N 2.81Å; R214-K216 VanDerWaalsContact O-N 3.16Å
215	R	71.5	Confident	68.9	Low	186 Å²	186	95.9 Å²	95.9	70%	0.702	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-62.2	121.6	175.4	-55.5	-167.5	-165.8	-166.8	4.5	108.8	D213 K217	D213-R215 PolarHBondContact O-N 2.88Å; D213-R215 WeakPolarHBondContact OD1-CG 3.12Å; D213-R215 IonicContact OD1-CZ 3.2Å; D213-R215 IonicContact OD1-NE 3.18Å; D213-R215 PolarHBondContact OD1-NE 2.94Å; D213-R215 IonicContact OD1-NH2 2.74Å; D213-R215 PolarHBondContact OD1-NH2 3.46Å; D213-R215 IonicContact OD2-CZ 3.96Å; D213-R215 IonicContact OD2-NE 2.61Å; D213-R215 PolarHBondContact OD2-NE 2.03Å; D213-R215 IonicContact OD2-NH2 3.65Å; D213-R215 PolarHBondContact OD2-NH2 3.16Å; R215-K217 PolarHBondContact O-N 3.27Å
216	K	89.8	Confident	71.3	Confident	90 Å²	90	86.3 Å²	86.3	39%	0.391	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-52.3	138.1	170.3	-64.3	176	179.3	176.6	0	109	R214 G293 D295 R298	R214-K216 PolarHBondContact O-N 2.81Å; R214-K216 VanDerWaalsContact O-N 3.16Å; K216-G293 CarbonylContact C-O 3.48Å; K216-G293 VanDerWaalsContact CA-O 3.3Å; K216-G293 WeakPolarHBondContact CA-O 3.25Å; K216-D295 HydrophobicContact CB-CB 3.54Å; K216-D295 HydrophobicContact CD-CB 4.16Å; K216-D295 WeakPolarHBondContact CD-OD1 3.4Å; K216-D295 IonicContact NZ-OD1 2.76Å; K216-R298 PolarHBondContact O-NH2 2.93Å
217	K	95.3	Very high	73.9	Confident	24 Å²	24	81.1 Å²	81.1	10%	0.104	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.7	-178.3	-57.9	-175	-167.3	-66	0	109.9	P188 E190 R215 N246 I248 G293 G294 D295	P188-K217 HydrophobicContact CG-CD 3.72Å; P188-K217 WeakPolarHBondContact O-CE 3.37Å; E190-K217 IonicContact OE1-NZ 3.68Å; R215-K217 PolarHBondContact O-N 3.27Å; K217-N246 PolarHBondContact NZ-OD1 3.33Å; K217-I248 HydrophobicContact CB-CG1 4.17Å; K217-I248 HydrophobicContact CD-CG1 4.36Å; K217-G293 PolarHBondContact N-O 3.45Å; K217-G294 CarbonylContact O-C 3.56Å; K217-G294 WeakPolarHBondContact O-CA 3.26Å; K217-D295 WeakPolarHBondContact O-CB 3.24Å; K217-D295 PolarHBondContact O-N 3.49Å
218	P	97.9	Very high	76.5	Confident	7 Å²	7	69.7 Å²	69.7	5%	0.045	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	152.7	168.7	-15.3	25.8	0	0	0	110.8	V247 I248 R298 K582	P218-V247 HydrophobicContact CB-CG1 4.04Å; P218-V247 HydrophobicContact CG-CG1 4.03Å; P218-I248 PolarHBondContact O-N 3.46Å; P218-R298 HydrophobicContact CB-CB 4.45Å; P218-K582 HydrophobicContact CG-CB 4.25Å; P218-K582 HydrophobicContact CG-CG 3.62Å
219	V	98.8	Very high	79.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.7	-176.8	-175.9	0	0	0	0	108.9	I248 V250 I289 R298 I299 T300	V219-I248 CarbonylContact C-O 3.51Å; V219-I248 WeakPolarHBondContact CA-O 3.33Å; V219-V250 HydrophobicContact CG1-CG2 4.15Å; V219-I289 HydrophobicContact CG1-CG1 4.05Å; V219-I289 HydrophobicContact CG2-CG1 3.73Å; V219-I289 HydrophobicContact CG2-CG2 3.98Å; V219-R298 PolarHBondContact N-O 3.07Å; V219-I299 HydrophobicContact CB-CG1 3.99Å; V219-I299 HydrophobicContact CG1-CG1 4.33Å; V219-I299 HydrophobicContact CG2-CG1 4.45Å; V219-I299 CarbonylContact O-C 3.6Å; V219-I299 WeakPolarHBondContact O-CA 3.41Å; V219-T300 PolarHBondContact O-N 3.23Å
220	M	98.9	Very high	82.1	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.1	175.5	-63.2	-174.7	70.1	0	0	109.6	V247 I248 V249 V250 T300 F302 I328 W577 T578 A581	M220-V247 HydrophobicContact CG-CG2 4.45Å; M220-V247 HydrophobicContact SD-CG2 4.03Å; M220-I248 PolarHBondContact N-O 3.1Å; M220-V249 HydrophobicContact CB-CG1 4.43Å; M220-V249 CarbonylContact O-C 3.41Å; M220-V249 WeakPolarHBondContact O-CA 3.21Å; M220-V249 WeakPolarHBondContact O-CG1 3.16Å; M220-V250 PolarHBondContact O-N 3.39Å; M220-T300 CarbonylContact C-O 3.53Å; M220-T300 WeakPolarHBondContact CA-O 3.4Å; M220-F302 HydrophobicContact CB-CD1 4.06Å; M220-F302 HydrophobicContact CB-CE1 3.68Å; M220-F302 HydrophobicContact CE-CD1 4.21Å; M220-F302 HydrophobicContact CE-CE1 4.26Å; M220-F302 HydrophobicContact CE-CG 4.39Å; M220-F302 HydrophobicContact CE-CZ 4.46Å; M220-I328 HydrophobicContact CE-CD1 4Å; M220-W577 HydrophobicContact CE-CB 4.42Å; M220-T578 HydrophobicContact SD-CG2 4.04Å; M220-A581 HydrophobicContact CE-CB 4.21Å; M220-A581 HydrophobicContact CG-CB 3.65Å; M220-A581 HydrophobicContact SD-CB 3.66Å
221	L	98.9	Very high	84.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	115.6	175.9	172.5	62.1	0	0	0	110.1	V250 M252 L282 L285 T300 I301 F302	L221-V250 HydrophobicContact CD1-CB 3.93Å; L221-V250 HydrophobicContact CD1-CG1 3.76Å; L221-M252 HydrophobicContact CD1-CB 4.26Å; L221-M252 HydrophobicContact CD1-CG 4.02Å; L221-M252 HydrophobicContact CD1-SD 4.3Å; L221-M252 HydrophobicContact CD2-SD 4.37Å; L221-L282 HydrophobicContact CD2-CD2 3.69Å; L221-L282 HydrophobicContact CD2-CG 3.83Å; L221-L285 HydrophobicContact CB-CD1 4.28Å; L221-L285 HydrophobicContact CD1-CD1 4.09Å; L221-L285 HydrophobicContact CD2-CD1 3.97Å; L221-L285 HydrophobicContact CG-CD1 4.33Å; L221-T300 PolarHBondContact N-O 3.26Å; L221-I301 HydrophobicContact CB-CG2 4.4Å; L221-I301 HydrophobicContact CD2-CG2 4.32Å; L221-I301 WeakPolarHBondContact O-CA 3.42Å; L221-F302 VanDerWaalsContact O-CD1 3.28Å; L221-F302 WeakPolarHBondContact O-CD1 3.34Å; L221-F302 PolarHBondContact O-N 2.94Å
222	F	98.9	Very high	87.7	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	125	173.5	-170.4	-115	0	0	0	112.1	H224 F236 V250 T251 F302 I543 F547	F222-H224 HydrophobicContact CD1-CB 4.44Å; F222-H224 HydrophobicContact CE1-CB 3.92Å; F222-F236 HydrophobicContact CD1-CB 4.39Å; F222-F236 HydrophobicContact CD1-CD1 4.37Å; F222-F236 HydrophobicContact CD1-CD2 4.11Å; F222-F236 HydrophobicContact CD1-CG 4.03Å; F222-F236 HydrophobicContact CE1-CB 4.42Å; F222-F236 AromaticContact CE1-CD1 3.61Å; F222-F236 HydrophobicContact CE1-CD1 3.61Å; F222-F236 AromaticContact CE1-CD2 3.65Å; F222-F236 HydrophobicContact CE1-CD2 3.65Å; F222-F236 AromaticContact CE1-CE1 3.64Å; F222-F236 HydrophobicContact CE1-CE1 3.64Å; F222-F236 AromaticContact CE1-CE2 3.7Å; F222-F236 HydrophobicContact CE1-CE2 3.7Å; F222-F236 AromaticContact CE1-CG 3.62Å; F222-F236 HydrophobicContact CE1-CG 3.62Å; F222-F236 AromaticContact CE1-CZ 3.7Å; F222-F236 HydrophobicContact CE1-CZ 3.7Å; F222-F236 HydrophobicContact CZ-CD1 4.06Å; F222-F236 AromaticContact CZ-CE1 3.87Å; F222-F236 HydrophobicContact CZ-CE1 3.87Å; F222-F236 HydrophobicContact CZ-CZ 4.16Å; F222-V250 PolarHBondContact N-O 3.06Å; F222-T251 HydrophobicContact CB-CG2 4.23Å; F222-F302 CarbonylContact C-O 3.38Å; F222-F302 VanDerWaalsContact CA-O 3.3Å; F222-F302 WeakPolarHBondContact CA-O 3.35Å; F222-F302 HydrophobicContact CB-CD1 4.17Å; F222-F302 HydrophobicContact CB-CE1 3.61Å; F222-F302 HydrophobicContact CB-CE2 4.37Å; F222-F302 HydrophobicContact CB-CZ 3.73Å; F222-F302 HydrophobicContact CD2-CD1 4.24Å; F222-F302 AromaticContact CD2-CD2 3.61Å; F222-F302 HydrophobicContact CD2-CD2 3.61Å; F222-F302 HydrophobicContact CD2-CE1 4.12Å; F222-F302 AromaticContact CD2-CE2 3.5Å; F222-F302 HydrophobicContact CD2-CE2 3.5Å; F222-F302 VanDerWaalsContact CD2-CE2 3.5Å; F222-F302 AromaticContact CD2-CG 3.98Å; F222-F302 HydrophobicContact CD2-CG 3.98Å; F222-F302 AromaticContact CD2-CZ 3.77Å; F222-F302 HydrophobicContact CD2-CZ 3.77Å; F222-F302 WeakPolarHBondContact CD2-O 3.3Å; F222-F302 HydrophobicContact CE2-CD2 4.18Å; F222-F302 HydrophobicContact CE2-CE2 4.17Å; F222-F302 HydrophobicContact CG-CE1 4.35Å; F222-F302 HydrophobicContact CG-CE2 4.28Å; F222-F302 HydrophobicContact CG-CZ 4.11Å; F222-I543 HydrophobicContact CE2-CD1 4.17Å; F222-I543 HydrophobicContact CZ-CD1 3.94Å; F222-F547 HydrophobicContact CB-CZ 4.25Å; F222-F547 HydrophobicContact CD1-CE2 4.49Å; F222-F547 AromaticContact CD1-CZ 3.81Å; F222-F547 HydrophobicContact CD1-CZ 3.81Å; F222-F547 HydrophobicContact CD2-CE2 4.11Å; F222-F547 AromaticContact CD2-CZ 3.75Å; F222-F547 HydrophobicContact CD2-CZ 3.75Å; F222-F547 HydrophobicContact CE1-CE2 4.27Å; F222-F547 HydrophobicContact CE1-CZ 4.02Å; F222-F547 AromaticContact CE2-CE2 3.86Å; F222-F547 HydrophobicContact CE2-CE2 3.86Å; F222-F547 AromaticContact CE2-CZ 3.95Å; F222-F547 HydrophobicContact CE2-CZ 3.95Å; F222-F547 HydrophobicContact CG-CE2 4.41Å; F222-F547 AromaticContact CG-CZ 3.66Å; F222-F547 HydrophobicContact CG-CZ 3.66Å; F222-F547 AromaticContact CZ-CE2 3.95Å; F222-F547 HydrophobicContact CZ-CE2 3.95Å; F222-F547 HydrophobicContact CZ-CZ 4.09Å
223	I	98.9	Very high	90.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.9	170.4	-54.3	178.2	0	0	0	107	Y254 Q278 F302 G303 C310 V311 L314	I223-Y254 HydrophobicContact CG2-CD1 4.46Å; I223-Y254 HydrophobicContact CG2-CE1 3.9Å; I223-Q278 HydrophobicContact CD1-CB 4.5Å; I223-Q278 HydrophobicContact CD1-CG 4.41Å; I223-Q278 HydrophobicContact CG2-CG 4.4Å; I223-F302 PolarHBondContact N-O 3.22Å; I223-G303 WeakPolarHBondContact O-CA 3.17Å; I223-C310 HydrophobicContact CG2-CB 3.91Å; I223-V311 HydrophobicContact CD1-CG2 4.16Å; I223-L314 HydrophobicContact CD1-CD1 3.47Å; I223-L314 VanDerWaalsContact CD1-CD1 3.47Å
224	H	98.6	Very high	93.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	13%	0.129	C	C	.	.			trans	-72.1	156.3	-175.1	67	81.9	0	0	0	112.8	F222 T232 G233 F236 M252 Y254 G307	F222-H224 HydrophobicContact CD1-CB 4.44Å; F222-H224 HydrophobicContact CE1-CB 3.92Å; H224-T232 VanDerWaalsContact CD2-C 3.42Å; H224-G233 PolarHBondContact CD2-N 2.66Å; H224-F236 HydrophobicContact CB-CD2 4.46Å; H224-F236 HydrophobicContact CB-CE2 3.74Å; H224-F236 HydrophobicContact CB-CZ 4.31Å; H224-M252 PolarHBondContact CD2-O 3.04Å; H224-Y254 AromaticContact CD2-CE1 3.85Å; H224-Y254 AromaticContact CE1-CE1 3.72Å; H224-Y254 AromaticContact CE1-CZ 3.97Å; H224-Y254 AromaticContact NE2-CD1 3.95Å; H224-Y254 AromaticContact NE2-CE1 3.55Å; H224-Y254 PolarHBondContact O-OH 3.32Å; H224-Y254 VanDerWaalsContact O-OH 3.14Å; H224-G307 VanDerWaalsContact O-CA 3.28Å; H224-G307 WeakPolarHBondContact O-CA 3.48Å
225	G	95	Very high	95.4	Very high	12 Å²	12	20.4 Å²	20.4	12%	0.124	9%	0.094	C	C	.	.			trans	-86.8	-154.1	169.1	0	0	0	0	0	112.9	S304	G225-S304 VanDerWaalsContact CA-O 3.31Å; G225-S304 WeakPolarHBondContact CA-O 3.47Å
226	G	88.4	Confident	96.6	Very high	5 Å²	5	12 Å²	12	5%	0.052	6%	0.063	C	C	.	.	S	Bend	trans	127.5	-142.4	-161.3	0	0	0	0	0	107.1
227	S	94	Very high	96.9	Very high	7 Å²	7	10.6 Å²	10.6	5%	0.049	6%	0.059	C	C	.	.	S	Bend	trans	-124.9	28.8	168.1	66.1	0	0	0	0	111.8	P154 M229 E230	P154-S227 WeakPolarHBondContact CG-OG 3.06Å; S227-M229 PolarHBondContact O-N 2.81Å; S227-M229 WeakPolarHBondContact OG-CB 3.36Å; S227-E230 WeakPolarHBondContact CB-OE1 3.28Å; S227-E230 PolarHBondContact N-OE1 3.1Å; S227-E230 PolarHBondContact OG-OE1 3.05Å; S227-E230 PolarHBondContact OG-OE2 3.43Å
228	Y	98	Very high	97.1	Very high	3 Å²	3	9.5 Å²	9.5	1%	0.012	5%	0.054	C	C	.	.	S	Bend	trans	64.3	-9	-158.4	-44.9	-71.4	0	0	0	115.2	L256 G257 F261 A306 S309 S339 I389 P393	Y228-L256 CarbonylContact O-C 3.45Å; Y228-L256 WeakPolarHBondContact O-CA 2.98Å; Y228-L256 WeakPolarHBondContact O-CB 3.4Å; Y228-G257 PolarHBondContact O-N 3.17Å; Y228-F261 HydrophobicContact CD1-CZ 4.31Å; Y228-A306 HydrophobicContact CD1-CB 3.99Å; Y228-A306 HydrophobicContact CE1-CB 3.9Å; Y228-A306 WeakPolarHBondContact CE1-O 3.37Å; Y228-A306 HydrophobicContact CG-CB 4.36Å; Y228-S309 WeakPolarHBondContact OH-CB 3.33Å; Y228-S339 PolarHBondContact OH-O 2.89Å; Y228-I389 HydrophobicContact CD2-CD1 4.01Å; Y228-I389 HydrophobicContact CD2-CG2 4.34Å; Y228-I389 HydrophobicContact CE2-CD1 3.88Å; Y228-P393 HydrophobicContact CD1-CG 4.44Å; Y228-P393 HydrophobicContact CE1-CG 3.87Å; Y228-P393 HydrophobicContact CE2-CG 4.21Å
229	M	96.6	Very high	97.1	Very high	66 Å²	66	9.1 Å²	9.1	33%	0.325	5%	0.052	S	C	.	.	S	Bend	trans	-90.9	-30.6	-177	-62.5	-71	-64.2	0	0	113.8	Q147 S227 G257 F391	Q147-M229 WeakPolarHBondContact CB-O 3.36Å; S227-M229 PolarHBondContact O-N 2.81Å; S227-M229 WeakPolarHBondContact OG-CB 3.36Å; M229-G257 WeakPolarHBondContact SD-CA 3.48Å; M229-F391 HydrophobicContact SD-CB 4.02Å; M229-F391 HydrophobicContact SD-CD2 4.33Å
230	E	95.6	Very high	97	Very high	7 Å²	7	9.4 Å²	9.4	3%	0.033	5%	0.054	C	C	.	.	S	Bend	trans	-140.1	172.9	-175.3	61.7	-70.1	101.7	0	0	112.4	Q147 V149 L153 L158 F162 S227	Q147-E230 HydrophobicContact CB-CB 4.29Å; V149-E230 HydrophobicContact CG1-CB 4.03Å; V149-E230 HydrophobicContact CG1-CG 4.36Å; L153-E230 HydrophobicContact CD2-CG 4.4Å; L153-E230 WeakPolarHBondContact CD2-OE2 3.27Å; L158-E230 HydrophobicContact CD2-CG 4.23Å; F162-E230 HydrophobicContact CE1-CG 4.21Å; F162-E230 HydrophobicContact CZ-CB 4.46Å; F162-E230 HydrophobicContact CZ-CG 3.91Å; S227-E230 WeakPolarHBondContact CB-OE1 3.28Å; S227-E230 PolarHBondContact N-OE1 3.1Å; S227-E230 PolarHBondContact OG-OE1 3.05Å; S227-E230 PolarHBondContact OG-OE2 3.43Å
231	G	96.6	Very high	97	Very high	5 Å²	5	9.4 Å²	9.4	5%	0.052	5%	0.054	C	C	.	.			trans	114.3	171.5	-177.9	0	0	0	0	0	113.7	Q147 L256	Q147-G231 PolarHBondContact NE2-O 2.75Å; Q147-G231 PolarHBondContact OE1-O 2.84Å; G231-L256 WeakPolarHBondContact O-CD1 3.45Å
232	T	98.5	Very high	96.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.			trans	-162	145.4	172.1	172	0	0	0	0	110.8	V144 I173 H224 N234 M235 F236 N253	V144-T232 HydrophobicContact CG1-CG2 3.95Å; V144-T232 WeakPolarHBondContact CG1-OG1 3.47Å; I173-T232 HydrophobicContact CG2-CG2 3.73Å; H224-T232 VanDerWaalsContact CD2-C 3.42Å; T232-N234 HydrophobicContact CG2-CB 4Å; T232-N234 PolarHBondContact O-N 2.97Å; T232-N234 VanDerWaalsContact O-N 3.15Å; T232-N234 VanDerWaalsContact OG1-CB 3.31Å; T232-N234 WeakPolarHBondContact OG1-CB 3.36Å; T232-N234 VanDerWaalsContact OG1-CG 3.24Å; T232-N234 PolarHBondContact OG1-N 3.2Å; T232-N234 PolarHBondContact OG1-ND2 3.1Å; T232-M235 HydrophobicContact CG2-CB 4.49Å; T232-M235 HydrophobicContact CG2-CE 4.04Å; T232-M235 HydrophobicContact CG2-CG 3.76Å; T232-M235 HydrophobicContact CG2-SD 3.88Å; T232-M235 PolarHBondContact O-N 2.9Å; T232-F236 WeakPolarHBondContact O-CD2 3.31Å; T232-F236 VanDerWaalsContact O-CE2 3.31Å; T232-F236 WeakPolarHBondContact O-CE2 3.27Å; T232-N253 WeakPolarHBondContact CA-OD1 3.43Å; T232-N253 WeakPolarHBondContact CB-OD1 3.3Å; T232-N253 PolarHBondContact OG1-OD1 3.2Å
233	G	98.2	Very high	96.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-62.2	-15	168.9	0	0	0	0	0	113.8	H224 M235 F236 T251 M252 N253	H224-G233 PolarHBondContact CD2-N 2.66Å; G233-M235 VanDerWaalsContact C-N 3.29Å; G233-M235 PolarHBondContact O-N 2.98Å; G233-F236 PolarHBondContact O-N 3.17Å; G233-T251 VanDerWaalsContact O-CB 3.27Å; G233-T251 WeakPolarHBondContact O-CB 3.49Å; G233-T251 PolarHBondContact O-OG1 3.2Å; G233-M252 WeakPolarHBondContact CA-O 3.43Å; G233-M252 PolarHBondContact N-O 2.98Å; G233-N253 PolarHBondContact N-OD1 3.03Å
234	N	98	Very high	96.6	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.043	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-71.6	-19.3	179.3	-59.6	-12.4	0	0	0	113.3	F141 A142 V144 Y172 N184 T232 F236	F141-N234 HydrophobicContact CB-CB 4.49Å; F141-N234 HydrophobicContact CD1-CB 3.85Å; F141-N234 VanDerWaalsContact CD1-CG 3.49Å; F141-N234 VanDerWaalsContact CD1-OD1 3.26Å; F141-N234 WeakPolarHBondContact CD1-OD1 3.47Å; F141-N234 HydrophobicContact CD2-CB 4.28Å; F141-N234 HydrophobicContact CE1-CB 4.06Å; F141-N234 HydrophobicContact CE2-CB 4.46Å; F141-N234 HydrophobicContact CG-CB 3.97Å; F141-N234 HydrophobicContact CZ-CB 4.36Å; A142-N234 PolarHBondContact O-ND2 3.44Å; V144-N234 WeakPolarHBondContact CG1-ND2 3.49Å; Y172-N234 WeakPolarHBondContact CD1-O 3.49Å; Y172-N234 WeakPolarHBondContact CE1-O 3.49Å; N184-N234 PolarHBondContact ND2-OD1 3.37Å; T232-N234 HydrophobicContact CG2-CB 4Å; T232-N234 PolarHBondContact O-N 2.97Å; T232-N234 VanDerWaalsContact O-N 3.15Å; T232-N234 VanDerWaalsContact OG1-CB 3.31Å; T232-N234 WeakPolarHBondContact OG1-CB 3.36Å; T232-N234 VanDerWaalsContact OG1-CG 3.24Å; T232-N234 PolarHBondContact OG1-N 3.2Å; T232-N234 PolarHBondContact OG1-ND2 3.1Å; N234-F236 PolarHBondContact O-N 2.87Å
235	M	96.9	Very high	96.5	Very high	7 Å²	7	11.4 Å²	11.4	3%	0.034	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-70.7	-17.9	176.8	-78.4	162.1	175.6	0	0	113.5	F162 A169 Y172 I173 T232 G233 L557	F162-M235 HydrophobicContact CD2-CE 4.43Å; F162-M235 HydrophobicContact CD2-SD 4.33Å; F162-M235 HydrophobicContact CE2-CE 3.81Å; F162-M235 HydrophobicContact CE2-SD 4.06Å; A169-M235 HydrophobicContact CB-CE 3.97Å; A169-M235 VanDerWaalsContact O-CE 3.24Å; A169-M235 WeakPolarHBondContact O-CE 3.48Å; Y172-M235 HydrophobicContact CD1-CG 4.03Å; Y172-M235 HydrophobicContact CD2-CG 4.21Å; Y172-M235 HydrophobicContact CG-CG 3.76Å; I173-M235 HydrophobicContact CG2-CE 3.93Å; T232-M235 HydrophobicContact CG2-CB 4.49Å; T232-M235 HydrophobicContact CG2-CE 4.04Å; T232-M235 HydrophobicContact CG2-CG 3.76Å; T232-M235 HydrophobicContact CG2-SD 3.88Å; T232-M235 PolarHBondContact O-N 2.9Å; G233-M235 VanDerWaalsContact C-N 3.29Å; G233-M235 PolarHBondContact O-N 2.98Å; M235-L557 HydrophobicContact CB-CD2 3.88Å; M235-L557 HydrophobicContact CG-CD2 4.15Å
236	F	96.9	Very high	96.5	Very high	10 Å²	10	14 Å²	14	4%	0.044	8%	0.075	C	C	.	.			trans	-111.5	92.2	-167.2	-55.1	-92.9	0	0	0	110.3	W161 Y186 F222 H224 T232 G233 N234 A238 T251 I543 F547	W161-F236 AromaticContact CH2-CE1 4Å; W161-F236 HydrophobicContact CH2-CE1 4Å; W161-F236 AromaticContact CH2-CZ 3.69Å; W161-F236 HydrophobicContact CH2-CZ 3.69Å; W161-F236 AromaticContact CZ2-CE1 3.93Å; W161-F236 HydrophobicContact CZ2-CE1 3.93Å; W161-F236 AromaticContact CZ2-CZ 3.93Å; W161-F236 HydrophobicContact CZ2-CZ 3.93Å; Y186-F236 PolarHBondContact OH-O 3.03Å; F222-F236 HydrophobicContact CD1-CB 4.39Å; F222-F236 HydrophobicContact CD1-CD1 4.37Å; F222-F236 HydrophobicContact CD1-CD2 4.11Å; F222-F236 HydrophobicContact CD1-CG 4.03Å; F222-F236 HydrophobicContact CE1-CB 4.42Å; F222-F236 AromaticContact CE1-CD1 3.61Å; F222-F236 HydrophobicContact CE1-CD1 3.61Å; F222-F236 AromaticContact CE1-CD2 3.65Å; F222-F236 HydrophobicContact CE1-CD2 3.65Å; F222-F236 AromaticContact CE1-CE1 3.64Å; F222-F236 HydrophobicContact CE1-CE1 3.64Å; F222-F236 AromaticContact CE1-CE2 3.7Å; F222-F236 HydrophobicContact CE1-CE2 3.7Å; F222-F236 AromaticContact CE1-CG 3.62Å; F222-F236 HydrophobicContact CE1-CG 3.62Å; F222-F236 AromaticContact CE1-CZ 3.7Å; F222-F236 HydrophobicContact CE1-CZ 3.7Å; F222-F236 HydrophobicContact CZ-CD1 4.06Å; F222-F236 AromaticContact CZ-CE1 3.87Å; F222-F236 HydrophobicContact CZ-CE1 3.87Å; F222-F236 HydrophobicContact CZ-CZ 4.16Å; H224-F236 HydrophobicContact CB-CD2 4.46Å; H224-F236 HydrophobicContact CB-CE2 3.74Å; H224-F236 HydrophobicContact CB-CZ 4.31Å; T232-F236 WeakPolarHBondContact O-CD2 3.31Å; T232-F236 VanDerWaalsContact O-CE2 3.31Å; T232-F236 WeakPolarHBondContact O-CE2 3.27Å; G233-F236 PolarHBondContact O-N 3.17Å; N234-F236 PolarHBondContact O-N 2.87Å; F236-A238 PolarHBondContact O-N 2.91Å; F236-T251 HydrophobicContact CB-CG2 4.23Å; F236-I543 HydrophobicContact CD1-CG2 4.16Å; F236-I543 HydrophobicContact CE1-CD1 4.42Å; F236-I543 HydrophobicContact CE1-CG2 3.88Å; F236-F547 HydrophobicContact CB-CD1 4.18Å; F236-F547 HydrophobicContact CB-CE1 3.73Å; F236-F547 HydrophobicContact CB-CZ 3.91Å; F236-F547 HydrophobicContact CD1-CD2 4.21Å; F236-F547 AromaticContact CD1-CE2 3.83Å; F236-F547 HydrophobicContact CD1-CE2 3.83Å; F236-F547 HydrophobicContact CD1-CZ 4.02Å; F236-F547 HydrophobicContact CG-CZ 4.26Å
237	D	96.7	Very high	96.9	Very high	60 Å²	60	13.7 Å²	13.7	32%	0.321	7%	0.072	S	C	.	.			trans	-73	94.7	174.3	-170.8	-15.7	0	0	0	110.2	K95 Y186 S239	K95-D237 IonicContact NZ-OD2 3.89Å; K95-D237 PolarHBondContact NZ-OD2 2.98Å; Y186-D237 WeakPolarHBondContact CE1-OD1 3.37Å; D237-S239 PolarHBondContact O-N 3.2Å; D237-S239 WeakPolarHBondContact OD1-CB 3.42Å; D237-S239 PolarHBondContact OD1-N 3.13Å; D237-S239 PolarHBondContact OD1-OG 3.41Å
238	A	97.9	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	7.8	-177.3	0	0	0	0	0	114.7	Y186 F236 V240 L241 A242 V249 T251 F547	Y186-A238 HydrophobicContact CD1-CB 4.42Å; Y186-A238 HydrophobicContact CD2-CB 3.74Å; Y186-A238 HydrophobicContact CE2-CB 3.95Å; Y186-A238 HydrophobicContact CG-CB 3.99Å; F236-A238 PolarHBondContact O-N 2.91Å; A238-V240 VanDerWaalsContact C-N 3.31Å; A238-V240 PolarHBondContact O-N 3.17Å; A238-L241 PolarHBondContact O-N 3.32Å; A238-A242 WeakPolarHBondContact O-CB 3.44Å; A238-A242 PolarHBondContact O-N 3.48Å; A238-V249 HydrophobicContact CB-CB 3.64Å; A238-V249 HydrophobicContact CB-CG1 3.47Å; A238-V249 VanDerWaalsContact CB-CG1 3.47Å; A238-V249 HydrophobicContact CB-CG2 4.3Å; A238-T251 HydrophobicContact CB-CG2 4.39Å; A238-F547 HydrophobicContact CB-CD1 4.21Å; A238-F547 HydrophobicContact CB-CE1 3.99Å
239	S	97.9	Very high	97.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60	-38.3	-176.1	-55.1	0	0	0	0	113.3	V105 Q107 Y186 D237 A243	V105-S239 WeakPolarHBondContact CG1-O 3.33Å; Q107-S239 PolarHBondContact NE2-OG 3.06Å; Y186-S239 WeakPolarHBondContact CD1-OG 3.28Å; D237-S239 PolarHBondContact O-N 3.2Å; D237-S239 WeakPolarHBondContact OD1-CB 3.42Å; D237-S239 PolarHBondContact OD1-N 3.13Å; D237-S239 PolarHBondContact OD1-OG 3.41Å; S239-A243 VanDerWaalsContact O-CB 3.29Å; S239-A243 WeakPolarHBondContact O-CB 3.45Å; S239-A243 PolarHBondContact O-N 3.13Å
240	V	97.8	Very high	97.3	Very high	5 Å²	5	10.1 Å²	10.1	3%	0.03	5%	0.054	C	C	.	.	H	α-helix	trans	-69.1	-47.5	178.6	177.7	0	0	0	0	110.7	L97 L102 A238 A242 A243 Y244 M551 I552 M574	L97-V240 HydrophobicContact CD2-CG2 4.49Å; L102-V240 HydrophobicContact CD1-CB 4.45Å; L102-V240 HydrophobicContact CD1-CG1 3.81Å; L102-V240 HydrophobicContact CD1-CG2 4.26Å; A238-V240 VanDerWaalsContact C-N 3.31Å; A238-V240 PolarHBondContact O-N 3.17Å; V240-A242 VanDerWaalsContact C-N 3.3Å; V240-A242 PolarHBondContact O-N 3.35Å; V240-A243 PolarHBondContact O-N 3.1Å; V240-Y244 WeakPolarHBondContact O-CB 3.29Å; V240-Y244 PolarHBondContact O-N 3.03Å; V240-M551 HydrophobicContact CG1-CB 4.17Å; V240-M551 HydrophobicContact CG1-CG 4.41Å; V240-M551 HydrophobicContact CG1-SD 4.01Å; V240-I552 HydrophobicContact CG2-CG2 3.77Å; V240-M574 HydrophobicContact CG1-CE 4.07Å; V240-M574 HydrophobicContact CG1-SD 4.3Å
241	L	98.4	Very high	97.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.7	-41	176	177.6	60	0	0	0	112	A238 G245 V249 F302 M574 T578	A238-L241 PolarHBondContact O-N 3.32Å; L241-G245 WeakPolarHBondContact O-CA 3.43Å; L241-G245 PolarHBondContact O-N 2.65Å; L241-V249 HydrophobicContact CB-CG2 4.26Å; L241-V249 HydrophobicContact CD2-CG1 4.31Å; L241-V249 HydrophobicContact CD2-CG2 3.99Å; L241-V249 HydrophobicContact CG-CG2 3.84Å; L241-F302 HydrophobicContact CD2-CE2 4.28Å; L241-F302 HydrophobicContact CD2-CZ 3.9Å; L241-M574 HydrophobicContact CB-SD 4.18Å; L241-M574 HydrophobicContact CD1-CB 4.13Å; L241-M574 HydrophobicContact CD1-CG 3.84Å; L241-M574 HydrophobicContact CD1-SD 3.98Å; L241-T578 HydrophobicContact CD1-CG2 3.52Å
242	A	97.9	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.8	-53.1	175	0	0	0	0	0	111.9	V105 P188 A238 V240 N246 V247 V249	V105-A242 HydrophobicContact CG1-CB 4.43Å; P188-A242 WeakPolarHBondContact CB-O 3.5Å; A238-A242 WeakPolarHBondContact O-CB 3.44Å; A238-A242 PolarHBondContact O-N 3.48Å; V240-A242 VanDerWaalsContact C-N 3.3Å; V240-A242 PolarHBondContact O-N 3.35Å; A242-N246 WeakPolarHBondContact O-CA 3.48Å; A242-N246 PolarHBondContact O-N 2.89Å; A242-V247 WeakPolarHBondContact CA-O 3.46Å; A242-V247 WeakPolarHBondContact CB-O 3.46Å; A242-V247 PolarHBondContact O-N 3.14Å; A242-V249 HydrophobicContact CB-CG2 3.98Å
243	A	96	Very high	97.6	Very high	8 Å²	8	9.7 Å²	9.7	7%	0.066	5%	0.05	C	C	.	.	H	α-helix	trans	-65.8	-44.1	-177.2	0	0	0	0	0	113.2	L97 L102 G103 V105 S239 V240	L97-A243 HydrophobicContact CD1-CB 3.69Å; L102-A243 HydrophobicContact CB-CB 4.41Å; G103-A243 WeakPolarHBondContact O-CB 3.38Å; V105-A243 HydrophobicContact CG1-CB 3.98Å; S239-A243 VanDerWaalsContact O-CB 3.29Å; S239-A243 WeakPolarHBondContact O-CB 3.45Å; S239-A243 PolarHBondContact O-N 3.13Å; V240-A243 PolarHBondContact O-N 3.1Å
244	Y	95.4	Very high	97.6	Very high	35 Å²	35	9.7 Å²	9.7	14%	0.137	5%	0.05	C	C	.	.	H	α-helix	trans	-69	-45.5	176.9	-178.2	-85.8	0	0	0	111.4	L102 V240 M551 A571 M574 T575 I597	L102-Y244 HydrophobicContact CD2-CD2 4.34Å; V240-Y244 WeakPolarHBondContact O-CB 3.29Å; V240-Y244 PolarHBondContact O-N 3.03Å; Y244-M551 HydrophobicContact CD2-CE 3.77Å; Y244-M551 HydrophobicContact CD2-SD 3.9Å; Y244-M551 HydrophobicContact CE2-CE 3.71Å; Y244-M551 HydrophobicContact CE2-SD 4.4Å; Y244-A571 HydrophobicContact CE2-CB 4.12Å; Y244-A571 PolarHBondContact OH-O 3.23Å; Y244-A571 VanDerWaalsContact OH-O 3.04Å; Y244-M574 HydrophobicContact CD1-CB 3.62Å; Y244-M574 HydrophobicContact CD1-CE 3.95Å; Y244-M574 HydrophobicContact CD1-SD 4.38Å; Y244-M574 HydrophobicContact CD2-CE 4.11Å; Y244-M574 HydrophobicContact CE1-CB 3.79Å; Y244-M574 HydrophobicContact CE1-CE 4.49Å; Y244-M574 HydrophobicContact CG-CE 3.76Å; Y244-M574 HydrophobicContact CG-SD 4.47Å; Y244-T575 PolarHBondContact OH-OG1 3.45Å; Y244-I597 HydrophobicContact CD2-CG1 4.08Å; Y244-I597 HydrophobicContact CE2-CG1 3.9Å; Y244-I597 HydrophobicContact CE2-CG2 3.93Å
245	G	95.4	Very high	97.7	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-73.1	-25	-176.5	0	0	0	0	0	114.7	L241 V247 K582	L241-G245 WeakPolarHBondContact O-CA 3.43Å; L241-G245 PolarHBondContact O-N 2.65Å; G245-V247 VanDerWaalsContact C-N 3.25Å; G245-K582 WeakPolarHBondContact O-CE 3.31Å; G245-K582 PolarHBondContact O-NZ 2.97Å
246	N	95.1	Very high	97.7	Very high	65 Å²	65	9.4 Å²	9.4	35%	0.348	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	45.1	-162.6	-167.4	11.6	0	0	0	111.7	K217 A242	K217-N246 PolarHBondContact NZ-OD1 3.33Å; A242-N246 WeakPolarHBondContact O-CA 3.48Å; A242-N246 PolarHBondContact O-N 2.89Å
247	V	97.4	Very high	97.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-124.5	152.9	176.6	-62.7	0	0	0	0	108.9	P188 P218 M220 A242 G245 V249 T578	P188-V247 VanDerWaalsContact CD-O 3.24Å; P188-V247 WeakPolarHBondContact CD-O 3.31Å; P188-V247 WeakPolarHBondContact CG-O 3.49Å; P218-V247 HydrophobicContact CB-CG1 4.04Å; P218-V247 HydrophobicContact CG-CG1 4.03Å; M220-V247 HydrophobicContact CG-CG2 4.45Å; M220-V247 HydrophobicContact SD-CG2 4.03Å; A242-V247 WeakPolarHBondContact CA-O 3.46Å; A242-V247 WeakPolarHBondContact CB-O 3.46Å; A242-V247 PolarHBondContact O-N 3.14Å; G245-V247 VanDerWaalsContact C-N 3.25Å; V247-V249 HydrophobicContact CG2-CG2 3.95Å; V247-T578 HydrophobicContact CG1-CG2 4.44Å; V247-T578 HydrophobicContact CG2-CG2 4.02Å
248	I	98.7	Very high	97.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129.5	166.3	-63.3	-177.7	0	0	0	107.4	I185 Y186 V187 K217 P218 V219 M220 V250 I289 F292	I185-I248 HydrophobicContact CG2-CG2 3.63Å; Y186-I248 WeakPolarHBondContact O-CA 3.33Å; V187-I248 HydrophobicContact CG1-CD1 4.11Å; V187-I248 HydrophobicContact CG1-CG1 4.16Å; V187-I248 HydrophobicContact CG2-CD1 4.21Å; V187-I248 HydrophobicContact CG2-CG1 4.41Å; V187-I248 HydrophobicContact CG2-CG2 4.41Å; K217-I248 HydrophobicContact CB-CG1 4.17Å; K217-I248 HydrophobicContact CD-CG1 4.36Å; P218-I248 PolarHBondContact O-N 3.46Å; V219-I248 CarbonylContact C-O 3.51Å; V219-I248 WeakPolarHBondContact CA-O 3.33Å; M220-I248 PolarHBondContact N-O 3.1Å; I248-V250 HydrophobicContact CG2-CG2 4.3Å; I248-I289 HydrophobicContact CG2-CD1 4.15Å; I248-F292 HydrophobicContact CD1-CB 4.13Å; I248-F292 WeakPolarHBondContact CD1-O 3.43Å
249	V	98.9	Very high	97.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.2	171.6	-166.7	0	0	0	0	109	Y186 M220 A238 L241 A242 V247 F302	Y186-V249 PolarHBondContact N-O 3.41Å; Y186-V249 PolarHBondContact O-N 2.95Å; Y186-V249 VanDerWaalsContact O-N 3.09Å; M220-V249 HydrophobicContact CB-CG1 4.43Å; M220-V249 CarbonylContact O-C 3.41Å; M220-V249 WeakPolarHBondContact O-CA 3.21Å; M220-V249 WeakPolarHBondContact O-CG1 3.16Å; A238-V249 HydrophobicContact CB-CB 3.64Å; A238-V249 HydrophobicContact CB-CG1 3.47Å; A238-V249 VanDerWaalsContact CB-CG1 3.47Å; A238-V249 HydrophobicContact CB-CG2 4.3Å; L241-V249 HydrophobicContact CB-CG2 4.26Å; L241-V249 HydrophobicContact CD2-CG1 4.31Å; L241-V249 HydrophobicContact CD2-CG2 3.99Å; L241-V249 HydrophobicContact CG-CG2 3.84Å; A242-V249 HydrophobicContact CB-CG2 3.98Å; V247-V249 HydrophobicContact CG2-CG2 3.95Å; V249-F302 HydrophobicContact CG1-CE1 4.18Å; V249-F302 HydrophobicContact CG1-CZ 4.14Å
250	V	98.9	Very high	98	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.2	176.8	-175.8	0	0	0	0	108.2	L183 N184 I185 V219 M220 L221 F222 I248 L285 I289	L183-V250 HydrophobicContact CB-CG1 4.1Å; L183-V250 HydrophobicContact CD1-CG1 4.04Å; L183-V250 HydrophobicContact CD2-CG1 4.34Å; L183-V250 HydrophobicContact CG-CG1 4.4Å; N184-V250 CarbonylContact O-C 3.55Å; N184-V250 VanDerWaalsContact O-CA 3.26Å; N184-V250 WeakPolarHBondContact O-CA 3.42Å; I185-V250 HydrophobicContact CG1-CG2 4.37Å; I185-V250 HydrophobicContact CG2-CG2 4.31Å; V219-V250 HydrophobicContact CG1-CG2 4.15Å; M220-V250 PolarHBondContact O-N 3.39Å; L221-V250 HydrophobicContact CD1-CB 3.93Å; L221-V250 HydrophobicContact CD1-CG1 3.76Å; F222-V250 PolarHBondContact N-O 3.06Å; I248-V250 HydrophobicContact CG2-CG2 4.3Å; V250-L285 HydrophobicContact CB-CD1 4.48Å; V250-L285 HydrophobicContact CG1-CD1 4.27Å; V250-L285 HydrophobicContact CG1-CD2 4.25Å; V250-L285 HydrophobicContact CG2-CD1 4.42Å; V250-L285 HydrophobicContact CG2-CD2 3.87Å; V250-I289 HydrophobicContact CG2-CD1 4.39Å
251	T	98.9	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.9	166.3	71.5	0	0	0	0	108.9	L183 N184 Y186 F222 G233 F236 A238	L183-T251 CarbonylContact C-O 3.59Å; L183-T251 WeakPolarHBondContact CA-O 3.31Å; L183-T251 WeakPolarHBondContact CB-O 3.47Å; N184-T251 PolarHBondContact N-O 2.88Å; N184-T251 PolarHBondContact ND2-OG1 3.04Å; N184-T251 PolarHBondContact O-N 3.21Å; Y186-T251 HydrophobicContact CE2-CG2 4.03Å; F222-T251 HydrophobicContact CB-CG2 4.23Å; G233-T251 VanDerWaalsContact O-CB 3.27Å; G233-T251 WeakPolarHBondContact O-CB 3.49Å; G233-T251 PolarHBondContact O-OG1 3.2Å; F236-T251 HydrophobicContact CB-CG2 4.23Å; A238-T251 HydrophobicContact CB-CG2 4.39Å
252	M	98.8	Very high	98	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.3	-178.6	67.7	165.3	-63.4	0	0	113.1	Y113 L183 L221 H224 G233 Y254 Q278 A281	Y113-M252 HydrophobicContact CE1-CE 4.03Å; Y113-M252 VanDerWaalsContact OH-CE 3.29Å; Y113-M252 WeakPolarHBondContact OH-CE 3.21Å; L183-M252 HydrophobicContact CB-CB 3.94Å; L221-M252 HydrophobicContact CD1-CB 4.26Å; L221-M252 HydrophobicContact CD1-CG 4.02Å; L221-M252 HydrophobicContact CD1-SD 4.3Å; L221-M252 HydrophobicContact CD2-SD 4.37Å; H224-M252 PolarHBondContact CD2-O 3.04Å; G233-M252 WeakPolarHBondContact CA-O 3.43Å; G233-M252 PolarHBondContact N-O 2.98Å; M252-Y254 HydrophobicContact CE-CD1 4.47Å; M252-Q278 HydrophobicContact CE-CB 4.41Å; M252-Q278 HydrophobicContact CE-CG 3.96Å; M252-Q278 HydrophobicContact SD-CB 4.21Å; M252-Q278 HydrophobicContact SD-CG 3.91Å; M252-A281 HydrophobicContact CE-CB 3.66Å; M252-A281 HydrophobicContact SD-CB 3.66Å
253	N	98.9	Very high	98.1	Very high	3 Å²	3	6.6 Å²	6.6	2%	0.016	4%	0.035	C	C	.	.			trans	-107.2	139.1	163.4	-64.6	-38	0	0	0	108.9	Y113 C180 Y182 T232 G233	Y113-N253 WeakPolarHBondContact CE1-O 3.33Å; Y113-N253 PolarHBondContact OH-O 3.32Å; C180-N253 WeakPolarHBondContact O-CB 3.26Å; Y182-N253 PolarHBondContact O-N 3.24Å; T232-N253 WeakPolarHBondContact CA-OD1 3.43Å; T232-N253 WeakPolarHBondContact CB-OD1 3.3Å; T232-N253 PolarHBondContact OG1-OD1 3.2Å; G233-N253 PolarHBondContact N-OD1 3.03Å
254	Y	98.9	Very high	98.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.			trans	-128.5	159.3	171.8	57.1	-83.6	0	0	0	109.2	C145 I223 H224 M252 L256 F261 Q278	C145-Y254 VanDerWaalsContact SG-C 3.52Å; C145-Y254 PolarHBondContact SG-O 2.98Å; I223-Y254 HydrophobicContact CG2-CD1 4.46Å; I223-Y254 HydrophobicContact CG2-CE1 3.9Å; H224-Y254 AromaticContact CD2-CE1 3.85Å; H224-Y254 AromaticContact CE1-CE1 3.72Å; H224-Y254 AromaticContact CE1-CZ 3.97Å; H224-Y254 AromaticContact NE2-CD1 3.95Å; H224-Y254 AromaticContact NE2-CE1 3.55Å; H224-Y254 PolarHBondContact O-OH 3.32Å; H224-Y254 VanDerWaalsContact O-OH 3.14Å; M252-Y254 HydrophobicContact CE-CD1 4.47Å; Y254-L256 HydrophobicContact CD2-CD2 3.89Å; Y254-L256 HydrophobicContact CE2-CD2 3.48Å; Y254-L256 VanDerWaalsContact CE2-CD2 3.48Å; Y254-L256 WeakPolarHBondContact O-CG 3.27Å; Y254-L256 PolarHBondContact O-N 2.93Å; Y254-F261 HydrophobicContact CD2-CZ 4.35Å; Y254-F261 HydrophobicContact CE2-CE2 4.24Å; Y254-F261 HydrophobicContact CE2-CZ 4.1Å; Y254-Q278 HydrophobicContact CD1-CG 4.09Å; Y254-Q278 HydrophobicContact CG-CG 4.04Å
255	R	98.9	Very high	98.2	Very high	8 Å²	8	7.6 Å²	7.6	3%	0.03	6%	0.056	C	C	.	.			trans	-60.3	136.8	179.6	-77.7	170.5	-78.6	179.5	-1.9	111.4	P117 Q124 L181 G260 F261 D277	P117-R255 HydrophobicContact CG-CG 4.19Å; Q124-R255 PolarHBondContact O-NH1 2.84Å; Q124-R255 PolarHBondContact O-NH2 3.05Å; Q124-R255 VanDerWaalsContact O-NH2 3.14Å; L181-R255 HydrophobicContact CD2-CG 4.13Å; R255-G260 VanDerWaalsContact CB-CA 3.48Å; R255-G260 WeakPolarHBondContact O-CA 3.31Å; R255-F261 WeakPolarHBondContact O-CE2 3.25Å; R255-D277 WeakPolarHBondContact CB-OD2 3.27Å; R255-D277 VanDerWaalsContact CG-OD2 3.29Å; R255-D277 WeakPolarHBondContact CG-OD2 3.37Å; R255-D277 IonicContact CZ-OD1 2.65Å; R255-D277 IonicContact CZ-OD2 3.71Å; R255-D277 PolarHBondContact N-OD2 3.09Å; R255-D277 IonicContact NE-OD1 2.78Å; R255-D277 PolarHBondContact NE-OD1 3.29Å; R255-D277 IonicContact NE-OD2 3.2Å; R255-D277 PolarHBondContact NE-OD2 3.39Å; R255-D277 IonicContact NH2-OD1 3.88Å; R255-D277 PolarHBondContact NH2-OD1 3.47Å; R255-D277 IonicContact NH2-OD2 3.71Å
256	L	98.8	Very high	98.3	Very high	2 Å²	2	10 Å²	10	1%	0.01	7%	0.069	C	C	.	.			trans	-111.1	159.3	-174.4	-56.9	179.3	0	0	0	112.4	C145 Y228 G231 Y254 V258 L259 G260	C145-L256 HydrophobicContact CB-CD1 4.43Å; C145-L256 HydrophobicContact CB-CG 4.22Å; Y228-L256 CarbonylContact O-C 3.45Å; Y228-L256 WeakPolarHBondContact O-CA 2.98Å; Y228-L256 WeakPolarHBondContact O-CB 3.4Å; G231-L256 WeakPolarHBondContact O-CD1 3.45Å; Y254-L256 HydrophobicContact CD2-CD2 3.89Å; Y254-L256 HydrophobicContact CE2-CD2 3.48Å; Y254-L256 VanDerWaalsContact CE2-CD2 3.48Å; Y254-L256 WeakPolarHBondContact O-CG 3.27Å; Y254-L256 PolarHBondContact O-N 2.93Å; L256-V258 PolarHBondContact O-N 3.31Å; L256-L259 PolarHBondContact O-N 3.04Å; L256-G260 PolarHBondContact O-N 3.28Å
257	G	98	Very high	98.4	Very high	3 Å²	3	14.2 Å²	14.2	3%	0.031	9%	0.086	C	C	.	.	H	α-helix	trans	44.8	-126.3	174.6	0	0	0	0	0	113.5	Y228 M229 L259 G260 F261	Y228-G257 PolarHBondContact O-N 3.17Å; M229-G257 WeakPolarHBondContact SD-CA 3.48Å; G257-L259 VanDerWaalsContact C-N 3.27Å; G257-L259 PolarHBondContact O-N 2.83Å; G257-G260 PolarHBondContact O-N 2.9Å; G257-F261 WeakPolarHBondContact O-CB 3.43Å; G257-F261 PolarHBondContact O-N 2.94Å
258	V	98.3	Very high	98.4	Very high	6 Å²	6	15.7 Å²	15.7	4%	0.036	10%	0.097	C	C	.	.	H	α-helix	trans	-51.7	-44.8	178.5	178.5	0	0	0	0	112.3	F123 L256 L262 L351 L377 F391	F123-V258 HydrophobicContact CE1-CG1 4.22Å; F123-V258 WeakPolarHBondContact CE1-O 3.43Å; F123-V258 HydrophobicContact CZ-CG1 4.41Å; L256-V258 PolarHBondContact O-N 3.31Å; V258-L262 HydrophobicContact CG1-CB 4.27Å; V258-L262 HydrophobicContact CG1-CD1 3.93Å; V258-L262 WeakPolarHBondContact O-CB 3.27Å; V258-L262 PolarHBondContact O-N 3.42Å; V258-L351 HydrophobicContact CB-CD2 4.36Å; V258-L351 HydrophobicContact CG1-CD2 3.5Å; V258-L351 VanDerWaalsContact CG1-CD2 3.5Å; V258-L351 HydrophobicContact CG2-CD2 3.86Å; V258-L377 HydrophobicContact CG1-CB 4.21Å; V258-L377 HydrophobicContact CG1-CD1 4.48Å; V258-F391 HydrophobicContact CG2-CD2 3.83Å; V258-F391 HydrophobicContact CG2-CE1 4.49Å; V258-F391 HydrophobicContact CG2-CE2 3.74Å; V258-F391 HydrophobicContact CG2-CG 4.27Å; V258-F391 HydrophobicContact CG2-CZ 4.09Å
259	L	98.8	Very high	98.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-75	-29.1	-173.1	-60.8	173	0	0	0	112.6	R122 F123 P146 E178 L256 G257 F374 L377 V378	R122-L259 HydrophobicContact CG-CD2 3.97Å; F123-L259 HydrophobicContact CE1-CD2 4.34Å; P146-L259 HydrophobicContact CB-CD1 4.01Å; P146-L259 HydrophobicContact CG-CD1 3.69Å; E178-L259 HydrophobicContact CG-CD1 4.17Å; L256-L259 PolarHBondContact O-N 3.04Å; G257-L259 VanDerWaalsContact C-N 3.27Å; G257-L259 PolarHBondContact O-N 2.83Å; L259-F374 HydrophobicContact CD1-CB 4.1Å; L259-L377 HydrophobicContact CD2-CD1 4.23Å; L259-V378 HydrophobicContact CD1-CG2 4.32Å; L259-V378 HydrophobicContact CG-CG2 4.48Å
260	G	98.8	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-87.5	-27.1	176.6	0	0	0	0	0	114.5	R255 L256 G257 Y273 G274	R255-G260 VanDerWaalsContact CB-CA 3.48Å; R255-G260 WeakPolarHBondContact O-CA 3.31Å; L256-G260 PolarHBondContact O-N 3.28Å; G257-G260 PolarHBondContact O-N 2.9Å; G260-Y273 CarbonylContact O-C 3.53Å; G260-Y273 WeakPolarHBondContact O-CA 3.45Å; G260-Y273 VanDerWaalsContact O-CB 3.27Å; G260-Y273 WeakPolarHBondContact O-CB 3.48Å; G260-Y273 PolarHBondContact O-N 3Å; G260-G274 PolarHBondContact O-N 3.36Å
261	F	98.9	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-144.9	11.4	-159.5	-56.9	-79.6	0	0	0	115.4	Y228 Y254 R255 G257 S263 L275 F391 G392 P393	Y228-F261 HydrophobicContact CD1-CZ 4.31Å; Y254-F261 HydrophobicContact CD2-CZ 4.35Å; Y254-F261 HydrophobicContact CE2-CE2 4.24Å; Y254-F261 HydrophobicContact CE2-CZ 4.1Å; R255-F261 WeakPolarHBondContact O-CE2 3.25Å; G257-F261 WeakPolarHBondContact O-CB 3.43Å; G257-F261 PolarHBondContact O-N 2.94Å; F261-S263 PolarHBondContact O-N 2.84Å; F261-L275 HydrophobicContact CE1-CG 4.37Å; F261-F391 HydrophobicContact CB-CB 4.25Å; F261-G392 VanDerWaalsContact CB-CA 3.48Å; F261-G392 WeakPolarHBondContact CB-O 3.43Å; F261-G392 VanDerWaalsContact CG-CA 3.42Å; F261-P393 HydrophobicContact CD1-CG 4.47Å; F261-P393 HydrophobicContact CE1-CG 4.05Å
262	L	98.8	Very high	98.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.			trans	-61.5	127.9	167.6	178.9	140.7	0	0	0	110.5	F123 V258 A269 G271 Y273 T348 L351 V366 L369 F391	F123-L262 HydrophobicContact CD1-CB 4.05Å; F123-L262 HydrophobicContact CD1-CD2 4.16Å; F123-L262 HydrophobicContact CE1-CB 3.9Å; F123-L262 HydrophobicContact CE1-CD1 4.3Å; F123-L262 HydrophobicContact CE1-CD2 4.31Å; F123-L262 HydrophobicContact CE1-CG 4.39Å; F123-L262 HydrophobicContact CG-CD2 4.34Å; F123-L262 HydrophobicContact CZ-CD1 4.36Å; V258-L262 HydrophobicContact CG1-CB 4.27Å; V258-L262 HydrophobicContact CG1-CD1 3.93Å; V258-L262 WeakPolarHBondContact O-CB 3.27Å; V258-L262 PolarHBondContact O-N 3.42Å; L262-A269 HydrophobicContact CD2-CB 3.82Å; L262-G271 WeakPolarHBondContact O-CA 3.29Å; L262-Y273 WeakPolarHBondContact O-CE2 3.43Å; L262-T348 HydrophobicContact CD1-CG2 4.07Å; L262-T348 HydrophobicContact CD2-CG2 4.2Å; L262-T348 HydrophobicContact CG-CG2 4.05Å; L262-L351 HydrophobicContact CD1-CD2 3.82Å; L262-V366 HydrophobicContact CD2-CG2 4.48Å; L262-L369 HydrophobicContact CD1-CD1 3.6Å; L262-F391 HydrophobicContact CB-CD1 4.46Å; L262-F391 HydrophobicContact CB-CE1 4.49Å
263	S	98.8	Very high	98.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	11%	0.113	C	C	.	.			trans	-137.5	143.2	176.3	171.3	0	0	0	0	111.3	F261 G265 A269 K270 P344 T348	F261-S263 PolarHBondContact O-N 2.84Å; S263-G265 PolarHBondContact OG-N 3.22Å; S263-A269 CarbonylContact C-O 3.55Å; S263-A269 VanDerWaalsContact CA-O 3.25Å; S263-A269 WeakPolarHBondContact CA-O 3.31Å; S263-A269 PolarHBondContact OG-O 2.8Å; S263-K270 WeakPolarHBondContact CB-O 3.29Å; S263-K270 PolarHBondContact OG-O 2.69Å; S263-P344 CarbonylContact O-C 3.52Å; S263-T348 WeakPolarHBondContact O-CB 3.09Å; S263-T348 PolarHBondContact O-OG1 2.69Å
264	T	98.4	Very high	98.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	11%	0.112	C	C	.	.			trans	-93	-5.3	171.5	44.7	0	0	0	0	112.7	D266 A269 L345 T348 T362 V366	T264-D266 VanDerWaalsContact CB-OD1 3.32Å; T264-D266 WeakPolarHBondContact CB-OD1 3.49Å; T264-D266 PolarHBondContact O-N 2.86Å; T264-D266 PolarHBondContact OG1-OD1 2.98Å; T264-A269 HydrophobicContact CG2-CB 4.36Å; T264-A269 PolarHBondContact N-O 3.29Å; T264-A269 PolarHBondContact OG1-N 3.46Å; T264-A269 PolarHBondContact OG1-O 2.85Å; T264-L345 WeakPolarHBondContact O-CB 3.49Å; T264-L345 WeakPolarHBondContact O-CD1 3.48Å; T264-T348 HydrophobicContact CG2-CG2 4.03Å; T264-T362 HydrophobicContact CG2-CG2 4.02Å; T264-V366 HydrophobicContact CG2-CG2 3.71Å
265	G	96.8	Very high	98.3	Very high	62 Å²	62	19.3 Å²	19.3	64%	0.639	11%	0.113	S	C	*	.	S	Bend	trans	66.5	18.8	-169.9	0	0	0	0	0	113.2	S263	S263-G265 PolarHBondContact OG-N 3.22Å
266	D	97	Very high	98.3	Very high	54 Å²	54	20 Å²	20	29%	0.289	12%	0.117	S	C	.	.	S	Bend	trans	-146.6	-173.8	176.5	67.3	29.3	0	0	0	110.2	T264 S268 A269 T362	T264-D266 VanDerWaalsContact CB-OD1 3.32Å; T264-D266 WeakPolarHBondContact CB-OD1 3.49Å; T264-D266 PolarHBondContact O-N 2.86Å; T264-D266 PolarHBondContact OG1-OD1 2.98Å; D266-S268 PolarHBondContact O-N 2.99Å; D266-S268 WeakPolarHBondContact OD1-CB 3.35Å; D266-S268 PolarHBondContact OD1-N 3.49Å; D266-S268 PolarHBondContact OD1-OG 2.85Å; D266-A269 CarbonylContact O-C 3.38Å; D266-T362 PolarHBondContact OD1-OG1 2.77Å; D266-T362 VanDerWaalsContact OD2-CB 3.26Å; D266-T362 WeakPolarHBondContact OD2-CB 3.25Å; D266-T362 VanDerWaalsContact OD2-CG2 3.25Å; D266-T362 WeakPolarHBondContact OD2-CG2 3.38Å; D266-T362 PolarHBondContact OD2-OG1 2.98Å
267	Q	96.9	Very high	98.3	Very high	153 Å²	153	19.9 Å²	19.9	72%	0.715	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-8.8	-175.2	-56.8	-58.2	-56.2	0	0	114.5
268	S	97.5	Very high	98.4	Very high	31 Å²	31	19.7 Å²	19.7	22%	0.217	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-36.5	-179.1	-58.3	0	0	0	0	112.4	D266 T362 A363	D266-S268 PolarHBondContact O-N 2.99Å; D266-S268 WeakPolarHBondContact OD1-CB 3.35Å; D266-S268 PolarHBondContact OD1-N 3.49Å; D266-S268 PolarHBondContact OD1-OG 2.85Å; S268-T362 PolarHBondContact OG-OG1 3.09Å; S268-A363 PolarHBondContact OG-N 3.04Å
269	A	98.2	Very high	98.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.113	C	C	.	.			trans	-152	102.8	166.4	0	0	0	0	0	109.1	L262 S263 T264 D266 G271 Y273 V366	L262-A269 HydrophobicContact CD2-CB 3.82Å; S263-A269 CarbonylContact C-O 3.55Å; S263-A269 VanDerWaalsContact CA-O 3.25Å; S263-A269 WeakPolarHBondContact CA-O 3.31Å; S263-A269 PolarHBondContact OG-O 2.8Å; T264-A269 HydrophobicContact CG2-CB 4.36Å; T264-A269 PolarHBondContact N-O 3.29Å; T264-A269 PolarHBondContact OG1-N 3.46Å; T264-A269 PolarHBondContact OG1-O 2.85Å; D266-A269 CarbonylContact O-C 3.38Å; A269-G271 PolarHBondContact O-N 3.39Å; A269-Y273 VanDerWaalsContact CA-OH 3.28Å; A269-Y273 WeakPolarHBondContact CA-OH 3.41Å; A269-Y273 WeakPolarHBondContact CB-OH 3.41Å; A269-V366 HydrophobicContact CB-CG1 4.23Å; A269-V366 HydrophobicContact CB-CG2 3.78Å
270	K	98.2	Very high	98.4	Very high	67 Å²	67	20.2 Å²	20.2	29%	0.291	12%	0.116	S	C	.	.			trans	-61.3	-41.9	-179.8	-70	-168.1	178.8	-163.6	0	112.7	S263 Y273 V394 D398	S263-K270 WeakPolarHBondContact CB-O 3.29Å; S263-K270 PolarHBondContact OG-O 2.69Å; K270-Y273 PolarHBondContact N-OH 3.39Å; K270-V394 WeakPolarHBondContact O-CG2 3.32Å; K270-D398 IonicContact NZ-OD2 2.92Å; K270-D398 PolarHBondContact NZ-OD2 2.72Å
271	G	98.5	Very high	98.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.01	12%	0.116	C	C	.	.			trans	106.4	-157	-168.5	0	0	0	0	0	112.2	L262 A269 Y273	L262-G271 WeakPolarHBondContact O-CA 3.29Å; A269-G271 PolarHBondContact O-N 3.39Å; G271-Y273 WeakPolarHBondContact O-CD1 3.22Å; G271-Y273 WeakPolarHBondContact O-CE1 3.42Å; G271-Y273 PolarHBondContact O-N 3.42Å
272	N	98.8	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.			trans	53.9	15	172.3	-65.2	-23.6	0	0	0	117.2	G274 L275 L276 P393 V394 D396 V399	N272-G274 VanDerWaalsContact C-N 3.25Å; N272-G274 PolarHBondContact O-N 3.22Å; N272-L275 HydrophobicContact CB-CD1 4.37Å; N272-L275 WeakPolarHBondContact O-CB 3.4Å; N272-L275 PolarHBondContact O-N 3Å; N272-L276 PolarHBondContact O-N 3.3Å; N272-P393 WeakPolarHBondContact OD1-CA 3.47Å; N272-V394 PolarHBondContact ND2-O 2.83Å; N272-V394 PolarHBondContact OD1-N 2.8Å; N272-V394 PolarHBondContact OD1-O 2.83Å; N272-D396 PolarHBondContact ND2-OD1 3.12Å; N272-D396 PolarHBondContact ND2-OD2 3.08Å; N272-V399 HydrophobicContact CB-CB 4Å; N272-V399 HydrophobicContact CB-CG1 4.16Å; N272-V399 HydrophobicContact CB-CG2 4.19Å
273	Y	98.9	Very high	98.4	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-35.8	179.4	-46	-65.4	0	0	0	112.7	F123 Q124 G260 L262 A269 K270 G271 L276 D277	F123-Y273 VanDerWaalsContact CA-CZ 3.5Å; F123-Y273 HydrophobicContact CB-CE2 3.79Å; F123-Y273 HydrophobicContact CD1-CE2 4.26Å; F123-Y273 WeakPolarHBondContact O-CE1 3.29Å; F123-Y273 PolarHBondContact O-OH 2.88Å; Q124-Y273 VanDerWaalsContact C-CD1 3.43Å; Q124-Y273 WeakPolarHBondContact O-CD1 3.43Å; G260-Y273 CarbonylContact O-C 3.53Å; G260-Y273 WeakPolarHBondContact O-CA 3.45Å; G260-Y273 VanDerWaalsContact O-CB 3.27Å; G260-Y273 WeakPolarHBondContact O-CB 3.48Å; G260-Y273 PolarHBondContact O-N 3Å; L262-Y273 WeakPolarHBondContact O-CE2 3.43Å; A269-Y273 VanDerWaalsContact CA-OH 3.28Å; A269-Y273 WeakPolarHBondContact CA-OH 3.41Å; A269-Y273 WeakPolarHBondContact CB-OH 3.41Å; K270-Y273 PolarHBondContact N-OH 3.39Å; G271-Y273 WeakPolarHBondContact O-CD1 3.22Å; G271-Y273 WeakPolarHBondContact O-CE1 3.42Å; G271-Y273 PolarHBondContact O-N 3.42Å; Y273-L276 PolarHBondContact O-N 3.27Å; Y273-D277 WeakPolarHBondContact O-CB 3.42Å; Y273-D277 PolarHBondContact O-N 3.47Å
274	G	98.9	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.7	-27.6	174.2	0	0	0	0	0	114.5	G260 N272 Q278	G260-G274 PolarHBondContact O-N 3.36Å; N272-G274 VanDerWaalsContact C-N 3.25Å; N272-G274 PolarHBondContact O-N 3.22Å; G274-Q278 WeakPolarHBondContact O-CG 3.42Å; G274-Q278 PolarHBondContact O-N 2.95Å
275	L	98.9	Very high	98.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-77.3	-42.1	170.4	-64.1	179	0	0	0	110.7	F261 N272 D277 Q278 I279 C310 L313 P393 V399 V400	F261-L275 HydrophobicContact CE1-CG 4.37Å; N272-L275 HydrophobicContact CB-CD1 4.37Å; N272-L275 WeakPolarHBondContact O-CB 3.4Å; N272-L275 PolarHBondContact O-N 3Å; L275-D277 PolarHBondContact O-N 3.21Å; L275-Q278 WeakPolarHBondContact O-CA 3.36Å; L275-Q278 WeakPolarHBondContact O-CB 3.43Å; L275-Q278 PolarHBondContact O-N 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.47Å; L275-I279 PolarHBondContact O-N 3.23Å; L275-C310 HydrophobicContact CD2-CB 4.27Å; L275-L313 HydrophobicContact CD1-CB 4.34Å; L275-L313 HydrophobicContact CD1-CD1 4.47Å; L275-P393 HydrophobicContact CD1-CB 4.16Å; L275-P393 HydrophobicContact CD1-CG 4.3Å; L275-V399 HydrophobicContact CB-CG1 4.06Å; L275-V399 HydrophobicContact CD1-CG1 4.21Å; L275-V400 HydrophobicContact CD1-CG2 4.01Å
276	L	98.9	Very high	98.4	Very high	22 Å²	22	24.1 Å²	24.1	12%	0.115	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-33.3	174.4	-70.4	167.1	0	0	0	112.1	P125 P126 N272 Y273 I279 Q280 V399	P125-L276 HydrophobicContact CB-CD1 4.08Å; P125-L276 HydrophobicContact CG-CD1 4.07Å; P126-L276 HydrophobicContact CG-CB 4.28Å; P126-L276 WeakPolarHBondContact CG-O 3.26Å; N272-L276 PolarHBondContact O-N 3.3Å; Y273-L276 PolarHBondContact O-N 3.27Å; L276-I279 HydrophobicContact CD2-CD1 4.29Å; L276-I279 PolarHBondContact O-N 2.92Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 2.86Å; L276-V399 HydrophobicContact CD1-CG2 4.11Å; L276-V399 HydrophobicContact CD2-CG2 3.68Å; L276-V399 HydrophobicContact CG-CG2 3.87Å
277	D	98.9	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-40.7	170.4	-74.7	-15.3	0	0	0	112.3	Y113 P126 L181 R255 Y273 L275 Q280 A281	Y113-D277 WeakPolarHBondContact CE2-O 3.45Å; Y113-D277 WeakPolarHBondContact OH-CB 3.3Å; Y113-D277 PolarHBondContact OH-O 2.99Å; P126-D277 WeakPolarHBondContact CB-OD1 3.4Å; L181-D277 HydrophobicContact CD2-CB 4.33Å; L181-D277 WeakPolarHBondContact CD2-OD2 3.42Å; R255-D277 WeakPolarHBondContact CB-OD2 3.27Å; R255-D277 VanDerWaalsContact CG-OD2 3.29Å; R255-D277 WeakPolarHBondContact CG-OD2 3.37Å; R255-D277 IonicContact CZ-OD1 2.65Å; R255-D277 IonicContact CZ-OD2 3.71Å; R255-D277 PolarHBondContact N-OD2 3.09Å; R255-D277 IonicContact NE-OD1 2.78Å; R255-D277 PolarHBondContact NE-OD1 3.29Å; R255-D277 IonicContact NE-OD2 3.2Å; R255-D277 PolarHBondContact NE-OD2 3.39Å; R255-D277 IonicContact NH2-OD1 3.88Å; R255-D277 PolarHBondContact NH2-OD1 3.47Å; R255-D277 IonicContact NH2-OD2 3.71Å; Y273-D277 WeakPolarHBondContact O-CB 3.42Å; Y273-D277 PolarHBondContact O-N 3.47Å; L275-D277 PolarHBondContact O-N 3.21Å; D277-Q280 PolarHBondContact O-N 2.95Å; D277-A281 PolarHBondContact O-N 2.7Å
278	Q	98.9	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.9	-40.2	176.1	-63.8	162.3	9.3	0	0	111.4	I223 M252 Y254 G274 L275 Q280 A281 L282 C310 L314	I223-Q278 HydrophobicContact CD1-CB 4.5Å; I223-Q278 HydrophobicContact CD1-CG 4.41Å; I223-Q278 HydrophobicContact CG2-CG 4.4Å; M252-Q278 HydrophobicContact CE-CB 4.41Å; M252-Q278 HydrophobicContact CE-CG 3.96Å; M252-Q278 HydrophobicContact SD-CB 4.21Å; M252-Q278 HydrophobicContact SD-CG 3.91Å; Y254-Q278 HydrophobicContact CD1-CG 4.09Å; Y254-Q278 HydrophobicContact CG-CG 4.04Å; G274-Q278 WeakPolarHBondContact O-CG 3.42Å; G274-Q278 PolarHBondContact O-N 2.95Å; L275-Q278 WeakPolarHBondContact O-CA 3.36Å; L275-Q278 WeakPolarHBondContact O-CB 3.43Å; L275-Q278 PolarHBondContact O-N 3.3Å; Q278-Q280 PolarHBondContact O-N 3.44Å; Q278-A281 PolarHBondContact O-N 3.24Å; Q278-L282 WeakPolarHBondContact O-CB 3.07Å; Q278-L282 WeakPolarHBondContact O-CG 3.42Å; Q278-L282 PolarHBondContact O-N 2.87Å; Q278-C310 PolarHBondContact NE2-SG 3.09Å; Q278-L314 HydrophobicContact CB-CD1 4.11Å; Q278-L314 HydrophobicContact CB-CD2 4.41Å
279	I	98.9	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-42.3	173.1	-67.4	159.3	0	0	0	110.9	L275 L276 L282 R283 L314 H319 L323 V399	L275-I279 WeakPolarHBondContact O-CG1 3.47Å; L275-I279 PolarHBondContact O-N 3.23Å; L276-I279 HydrophobicContact CD2-CD1 4.29Å; L276-I279 PolarHBondContact O-N 2.92Å; I279-L282 WeakPolarHBondContact O-CB 3.4Å; I279-L282 PolarHBondContact O-N 3.44Å; I279-R283 VanDerWaalsContact CG2-CZ 3.5Å; I279-R283 WeakPolarHBondContact O-CG 3.34Å; I279-R283 PolarHBondContact O-N 2.65Å; I279-L314 HydrophobicContact CD1-CD2 4.03Å; I279-L314 HydrophobicContact CG1-CD2 3.55Å; I279-H319 HydrophobicContact CD1-CB 3.79Å; I279-H319 HydrophobicContact CG2-CB 4.33Å; I279-H319 WeakPolarHBondContact CG2-O 3.36Å; I279-L323 HydrophobicContact CG2-CD1 4.1Å; I279-V399 HydrophobicContact CD1-CG1 4.11Å
280	Q	98.9	Very high	98.4	Very high	20 Å²	20	19.1 Å²	19.1	9%	0.093	10%	0.098	C	C	.	.	H	α-helix	trans	-69.9	-33.8	177.5	179.8	51.5	38.7	0	0	112.4	Y113 A114 P126 L276 D277 Q278 W284	Y113-Q280 HydrophobicContact CD2-CB 4.45Å; Y113-Q280 HydrophobicContact CD2-CG 4.13Å; Y113-Q280 HydrophobicContact CE2-CB 4.3Å; Y113-Q280 HydrophobicContact CE2-CG 4.33Å; Y113-Q280 PolarHBondContact O-NE2 2.81Å; A114-Q280 HydrophobicContact CB-CG 3.94Å; P126-Q280 HydrophobicContact CB-CB 4.27Å; P126-Q280 HydrophobicContact CB-CG 4.22Å; P126-Q280 HydrophobicContact CG-CB 3.64Å; P126-Q280 HydrophobicContact CG-CG 4.09Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 2.86Å; D277-Q280 PolarHBondContact O-N 2.95Å; Q278-Q280 PolarHBondContact O-N 3.44Å; Q280-W284 WeakPolarHBondContact O-CB 3.47Å; Q280-W284 PolarHBondContact O-N 2.7Å
281	A	98.9	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-41.5	169.8	0	0	0	0	0	111.7	Y113 L183 M252 D277 Q278 W284 L285	Y113-A281 HydrophobicContact CD1-CB 4.24Å; Y113-A281 VanDerWaalsContact CD2-CA 3.45Å; Y113-A281 HydrophobicContact CD2-CB 3.7Å; Y113-A281 HydrophobicContact CE1-CB 4.24Å; Y113-A281 HydrophobicContact CE2-CB 3.75Å; Y113-A281 HydrophobicContact CG-CB 3.97Å; L183-A281 HydrophobicContact CD2-CB 4.29Å; M252-A281 HydrophobicContact CE-CB 3.66Å; M252-A281 HydrophobicContact SD-CB 3.66Å; D277-A281 PolarHBondContact O-N 2.7Å; Q278-A281 PolarHBondContact O-N 3.24Å; A281-W284 PolarHBondContact O-N 3.32Å; A281-L285 VanDerWaalsContact O-CG 3.31Å; A281-L285 WeakPolarHBondContact O-CG 3.4Å; A281-L285 PolarHBondContact O-N 2.8Å
282	L	98.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-44.2	174.7	-82	168.7	0	0	0	112.7	L221 Q278 I279 L285 N286 I299 I301 L314 L323 F324	L221-L282 HydrophobicContact CD2-CD2 3.69Å; L221-L282 HydrophobicContact CD2-CG 3.83Å; Q278-L282 WeakPolarHBondContact O-CB 3.07Å; Q278-L282 WeakPolarHBondContact O-CG 3.42Å; Q278-L282 PolarHBondContact O-N 2.87Å; I279-L282 WeakPolarHBondContact O-CB 3.4Å; I279-L282 PolarHBondContact O-N 3.44Å; L282-L285 PolarHBondContact O-N 3.38Å; L282-N286 PolarHBondContact O-N 3.05Å; L282-I299 HydrophobicContact CD2-CG2 3.94Å; L282-I301 HydrophobicContact CD1-CG2 4.29Å; L282-I301 HydrophobicContact CD2-CG2 3.78Å; L282-L314 HydrophobicContact CD1-CD1 4.31Å; L282-L323 HydrophobicContact CB-CB 4.01Å; L282-L323 HydrophobicContact CB-CD1 3.89Å; L282-F324 HydrophobicContact CD1-CD1 4.03Å; L282-F324 HydrophobicContact CD2-CB 4.26Å
283	R	98.6	Very high	98.1	Very high	87 Å²	87	22.5 Å²	22.5	33%	0.328	12%	0.123	S	C	.	.	H	α-helix	trans	-58.9	-48.3	173.1	-70.5	172.8	-172.8	170.9	4.2	111.2	I279 L285 N286 E287 H319 L323	I279-R283 VanDerWaalsContact CG2-CZ 3.5Å; I279-R283 WeakPolarHBondContact O-CG 3.34Å; I279-R283 PolarHBondContact O-N 2.65Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-L285 PolarHBondContact O-N 3.03Å; R283-N286 PolarHBondContact O-N 2.92Å; R283-E287 WeakPolarHBondContact O-CG 3.28Å; R283-E287 PolarHBondContact O-N 2.92Å; R283-E287 VanDerWaalsContact O-N 3.08Å; R283-H319 PolarHBondContact NH2-O 3.36Å; R283-L323 HydrophobicContact CG-CD1 3.66Å; R283-L323 HydrophobicContact CG-CD2 3.88Å; R283-L323 HydrophobicContact CG-CG 4.46Å
284	W	98.8	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-42	176.1	-171.9	99.7	0	0	0	112.2	T85 Y87 V111 P112 L183 I185 Q280 A281 E287 N288 F292	T85-W284 HydrophobicContact CG2-CH2 4.38Å; T85-W284 HydrophobicContact CG2-CZ2 4.18Å; Y87-W284 AromaticContact CD2-CD1 3.94Å; Y87-W284 AromaticContact CD2-NE1 3.47Å; Y87-W284 AromaticContact CE2-CD1 3.42Å; Y87-W284 VanDerWaalsContact CE2-CD1 3.42Å; Y87-W284 HydrophobicContact CE2-CG 4.47Å; Y87-W284 AromaticContact CE2-NE1 3.47Å; V111-W284 HydrophobicContact CG1-CH2 3.71Å; V111-W284 HydrophobicContact CG1-CZ2 3.54Å; P112-W284 PolarHBondContact O-NE1 2.91Å; L183-W284 HydrophobicContact CD1-CE3 4.42Å; L183-W284 HydrophobicContact CD1-CZ3 4.07Å; L183-W284 HydrophobicContact CD2-CE3 4Å; L183-W284 HydrophobicContact CD2-CZ3 4.45Å; I185-W284 HydrophobicContact CD1-CH2 3.92Å; I185-W284 HydrophobicContact CD1-CZ3 3.85Å; Q280-W284 WeakPolarHBondContact O-CB 3.47Å; Q280-W284 PolarHBondContact O-N 2.7Å; A281-W284 PolarHBondContact O-N 3.32Å; W284-E287 PolarHBondContact O-N 3.19Å; W284-N288 HydrophobicContact CD2-CB 4.2Å; W284-N288 HydrophobicContact CE3-CB 4.11Å; W284-N288 HydrophobicContact CH2-CB 3.99Å; W284-N288 HydrophobicContact CZ2-CB 4.1Å; W284-N288 HydrophobicContact CZ3-CB 3.99Å; W284-N288 VanDerWaalsContact O-CB 3.25Å; W284-N288 WeakPolarHBondContact O-CB 3.46Å; W284-N288 PolarHBondContact O-N 3.05Å; W284-N288 PolarHBondContact O-ND2 3.02Å; W284-F292 AromaticContact CH2-CE2 3.91Å; W284-F292 HydrophobicContact CH2-CE2 3.91Å; W284-F292 HydrophobicContact CH2-CZ 4.23Å; W284-F292 HydrophobicContact CZ3-CE2 4.44Å
285	L	98.6	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.2	-45.8	177.6	-73.5	170.9	0	0	0	112.1	L183 L221 V250 A281 L282 R283 E287 N288 I289 I299	L183-L285 HydrophobicContact CD2-CD2 4.41Å; L183-L285 HydrophobicContact CD2-CG 4.37Å; L221-L285 HydrophobicContact CB-CD1 4.28Å; L221-L285 HydrophobicContact CD1-CD1 4.09Å; L221-L285 HydrophobicContact CD2-CD1 3.97Å; L221-L285 HydrophobicContact CG-CD1 4.33Å; V250-L285 HydrophobicContact CB-CD1 4.48Å; V250-L285 HydrophobicContact CG1-CD1 4.27Å; V250-L285 HydrophobicContact CG1-CD2 4.25Å; V250-L285 HydrophobicContact CG2-CD1 4.42Å; V250-L285 HydrophobicContact CG2-CD2 3.87Å; A281-L285 VanDerWaalsContact O-CG 3.31Å; A281-L285 WeakPolarHBondContact O-CG 3.4Å; A281-L285 PolarHBondContact O-N 2.8Å; L282-L285 PolarHBondContact O-N 3.38Å; R283-L285 VanDerWaalsContact C-N 3.31Å; R283-L285 PolarHBondContact O-N 3.03Å; L285-E287 VanDerWaalsContact C-N 3.26Å; L285-E287 PolarHBondContact O-N 3.26Å; L285-N288 PolarHBondContact O-N 2.87Å; L285-I289 HydrophobicContact CD2-CB 4.31Å; L285-I289 HydrophobicContact CD2-CD1 3.76Å; L285-I289 HydrophobicContact CD2-CG1 4.21Å; L285-I289 WeakPolarHBondContact O-CB 3.28Å; L285-I289 WeakPolarHBondContact O-CG2 3.5Å; L285-I289 PolarHBondContact O-N 2.66Å; L285-I299 HydrophobicContact CB-CD1 4.28Å
286	N	96.1	Very high	97.8	Very high	61 Å²	61	23.8 Å²	23.8	33%	0.326	13%	0.131	S	C	.	.	H	α-helix	trans	-55.3	-45	177.1	-165.6	-68.5	0	0	0	111	L282 R283 I299 G322	L282-N286 PolarHBondContact O-N 3.05Å; R283-N286 PolarHBondContact O-N 2.92Å; N286-I299 HydrophobicContact CB-CD1 4.48Å; N286-G322 PolarHBondContact ND2-O 3.24Å
287	E	97.3	Very high	97.6	Very high	96 Å²	96	29.1 Å²	29.1	45%	0.449	16%	0.155	S	C	.	.	H	α-helix	trans	-70.5	-31.7	178	-75.1	-179.8	-160.2	0	0	115.7	N86 Y87 R283 W284 L285	N86-E287 PolarHBondContact ND2-O 3.14Å; Y87-E287 PolarHBondContact OH-OE2 3.01Å; R283-E287 WeakPolarHBondContact O-CG 3.28Å; R283-E287 PolarHBondContact O-N 2.92Å; R283-E287 VanDerWaalsContact O-N 3.08Å; W284-E287 PolarHBondContact O-N 3.19Å; L285-E287 VanDerWaalsContact C-N 3.26Å; L285-E287 PolarHBondContact O-N 3.26Å
288	N	98.3	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-123.2	-20	-163.9	-64.5	-89.2	0	0	0	115.5	T85 N86 W284 L285 G290 H291	T85-N288 WeakPolarHBondContact CB-OD1 3.41Å; N86-N288 WeakPolarHBondContact CB-OD1 3.4Å; N86-N288 VanDerWaalsContact CG-OD1 3.24Å; N86-N288 PolarHBondContact N-OD1 3.04Å; N86-N288 PolarHBondContact ND2-OD1 3.34Å; W284-N288 HydrophobicContact CD2-CB 4.2Å; W284-N288 HydrophobicContact CE3-CB 4.11Å; W284-N288 HydrophobicContact CH2-CB 3.99Å; W284-N288 HydrophobicContact CZ2-CB 4.1Å; W284-N288 HydrophobicContact CZ3-CB 3.99Å; W284-N288 VanDerWaalsContact O-CB 3.25Å; W284-N288 WeakPolarHBondContact O-CB 3.46Å; W284-N288 PolarHBondContact O-N 3.05Å; W284-N288 PolarHBondContact O-ND2 3.02Å; L285-N288 PolarHBondContact O-N 2.87Å; N288-G290 PolarHBondContact O-N 3.42Å; N288-H291 WeakPolarHBondContact O-CB 3.48Å; N288-H291 PolarHBondContact O-CD2 2.89Å; N288-H291 VanDerWaalsContact O-CD2 3.31Å; N288-H291 PolarHBondContact O-N 3.04Å
289	I	98.2	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.5	-171.8	-154.3	57.7	0	0	0	112.9	I185 V219 I248 V250 L285 H291 F292 G293 G294	I185-I289 HydrophobicContact CD1-CD1 4.29Å; I185-I289 HydrophobicContact CG2-CD1 4.09Å; V219-I289 HydrophobicContact CG1-CG1 4.05Å; V219-I289 HydrophobicContact CG2-CG1 3.73Å; V219-I289 HydrophobicContact CG2-CG2 3.98Å; I248-I289 HydrophobicContact CG2-CD1 4.15Å; V250-I289 HydrophobicContact CG2-CD1 4.39Å; L285-I289 HydrophobicContact CD2-CB 4.31Å; L285-I289 HydrophobicContact CD2-CD1 3.76Å; L285-I289 HydrophobicContact CD2-CG1 4.21Å; L285-I289 WeakPolarHBondContact O-CB 3.28Å; L285-I289 WeakPolarHBondContact O-CG2 3.5Å; L285-I289 PolarHBondContact O-N 2.66Å; I289-H291 PolarHBondContact O-N 3.28Å; I289-F292 HydrophobicContact CD1-CB 4.29Å; I289-F292 HydrophobicContact CD1-CD2 4.13Å; I289-F292 HydrophobicContact CD1-CG 4.4Å; I289-F292 PolarHBondContact O-N 3.03Å; I289-G293 PolarHBondContact O-N 3.46Å; I289-G294 WeakPolarHBondContact O-CA 3.21Å; I289-G294 PolarHBondContact O-N 2.96Å
290	G	96.8	Very high	97.4	Very high	39 Å²	39	32.2 Å²	32.2	40%	0.402	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-57.6	-30.9	171	0	0	0	0	0	114.1	N288 F292 G293 G294	N288-G290 PolarHBondContact O-N 3.42Å; G290-F292 PolarHBondContact O-N 3.17Å; G290-G293 PolarHBondContact O-N 3.47Å; G290-G293 VanDerWaalsContact O-N 3.1Å; G290-G294 WeakPolarHBondContact CA-O 3.33Å
291	H	96.3	Very high	97.4	Very high	91 Å²	91	31.3 Å²	31.3	42%	0.421	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-70.8	-22	177.1	-57.8	-57.1	0	0	0	113	V83 S84 N86 N288 I289 G293	V83-H291 HydrophobicContact CG1-CB 3.72Å; S84-H291 WeakPolarHBondContact O-CB 3.33Å; N86-H291 PolarHBondContact OD1-NE2 3.12Å; N288-H291 WeakPolarHBondContact O-CB 3.48Å; N288-H291 PolarHBondContact O-CD2 2.89Å; N288-H291 VanDerWaalsContact O-CD2 3.31Å; N288-H291 PolarHBondContact O-N 3.04Å; I289-H291 PolarHBondContact O-N 3.28Å; H291-G293 VanDerWaalsContact C-N 3.34Å
292	F	96.6	Very high	97.4	Very high	15 Å²	15	31.3 Å²	31.3	7%	0.066	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-92.4	4.7	173.6	-58.6	-95	0	0	0	112.2	V83 T85 L90 Y108 I185 V187 I248 W284 I289 G290	V83-F292 HydrophobicContact CB-CD1 4.24Å; V83-F292 HydrophobicContact CB-CE1 3.9Å; V83-F292 HydrophobicContact CB-CZ 4.25Å; V83-F292 HydrophobicContact CG1-CD1 4.03Å; V83-F292 HydrophobicContact CG1-CD2 4.16Å; V83-F292 HydrophobicContact CG1-CE1 3.81Å; V83-F292 HydrophobicContact CG1-CE2 3.95Å; V83-F292 HydrophobicContact CG1-CG 4.2Å; V83-F292 HydrophobicContact CG1-CZ 3.77Å; V83-F292 HydrophobicContact CG2-CD1 3.9Å; V83-F292 HydrophobicContact CG2-CE1 4.02Å; T85-F292 HydrophobicContact CG2-CE2 3.96Å; T85-F292 HydrophobicContact CG2-CZ 4Å; L90-F292 HydrophobicContact CD1-CZ 4.04Å; Y108-F292 AromaticContact CD1-CE1 3.89Å; Y108-F292 HydrophobicContact CD1-CE1 3.89Å; Y108-F292 AromaticContact CD2-CD1 3.91Å; Y108-F292 HydrophobicContact CD2-CD1 3.91Å; Y108-F292 AromaticContact CD2-CE1 3.79Å; Y108-F292 HydrophobicContact CD2-CE1 3.79Å; Y108-F292 HydrophobicContact CE1-CE1 4.14Å; Y108-F292 AromaticContact CE2-CD1 3.92Å; Y108-F292 HydrophobicContact CE2-CD1 3.92Å; Y108-F292 HydrophobicContact CE2-CE1 4.06Å; Y108-F292 HydrophobicContact CG-CD1 4.32Å; Y108-F292 AromaticContact CG-CE1 3.72Å; Y108-F292 HydrophobicContact CG-CE1 3.72Å; I185-F292 HydrophobicContact CD1-CD1 4.19Å; I185-F292 HydrophobicContact CD1-CD2 4.14Å; I185-F292 HydrophobicContact CD1-CE1 3.8Å; I185-F292 HydrophobicContact CD1-CE2 3.74Å; I185-F292 HydrophobicContact CD1-CG 4.35Å; I185-F292 HydrophobicContact CD1-CZ 3.56Å; I185-F292 HydrophobicContact CG2-CD1 4.37Å; V187-F292 HydrophobicContact CG2-CB 4.14Å; V187-F292 HydrophobicContact CG2-CD1 4.32Å; I248-F292 HydrophobicContact CD1-CB 4.13Å; I248-F292 WeakPolarHBondContact CD1-O 3.43Å; W284-F292 AromaticContact CH2-CE2 3.91Å; W284-F292 HydrophobicContact CH2-CE2 3.91Å; W284-F292 HydrophobicContact CH2-CZ 4.23Å; W284-F292 HydrophobicContact CZ3-CE2 4.44Å; I289-F292 HydrophobicContact CD1-CB 4.29Å; I289-F292 HydrophobicContact CD1-CD2 4.13Å; I289-F292 HydrophobicContact CD1-CG 4.4Å; I289-F292 PolarHBondContact O-N 3.03Å; G290-F292 PolarHBondContact O-N 3.17Å
293	G	95.4	Very high	97.4	Very high	33 Å²	33	31.3 Å²	31.3	34%	0.34	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	13.4	-174.6	0	0	0	0	0	114.5	K216 K217 I289 G290 H291	K216-G293 CarbonylContact C-O 3.48Å; K216-G293 VanDerWaalsContact CA-O 3.3Å; K216-G293 WeakPolarHBondContact CA-O 3.25Å; K217-G293 PolarHBondContact N-O 3.45Å; I289-G293 PolarHBondContact O-N 3.46Å; G290-G293 PolarHBondContact O-N 3.47Å; G290-G293 VanDerWaalsContact O-N 3.1Å; H291-G293 VanDerWaalsContact C-N 3.34Å
294	G	97	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	166.4	175.2	0	0	0	0	0	113.7	K217 I289 G290	K217-G294 CarbonylContact O-C 3.56Å; K217-G294 WeakPolarHBondContact O-CA 3.26Å; I289-G294 WeakPolarHBondContact O-CA 3.21Å; I289-G294 PolarHBondContact O-N 2.96Å; G290-G294 WeakPolarHBondContact CA-O 3.33Å
295	D	96.4	Very high	97.4	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.08	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110.1	-177.8	-153.5	4.3	0	0	0	112.7	K216 K217 E297 R298	K216-D295 HydrophobicContact CB-CB 3.54Å; K216-D295 HydrophobicContact CD-CB 4.16Å; K216-D295 WeakPolarHBondContact CD-OD1 3.4Å; K216-D295 IonicContact NZ-OD1 2.76Å; K217-D295 WeakPolarHBondContact O-CB 3.24Å; K217-D295 PolarHBondContact O-N 3.49Å; D295-E297 PolarHBondContact O-N 2.9Å; D295-R298 HydrophobicContact CB-CB 4.29Å; D295-R298 CarbonylContact O-C 2.96Å; D295-R298 PolarHBondContact O-N 3.19Å; D295-R298 VanDerWaalsContact O-N 3.08Å; D295-R298 IonicContact OD2-CZ 2.63Å; D295-R298 IonicContact OD2-NE 2.72Å; D295-R298 PolarHBondContact OD2-NE 2.92Å; D295-R298 IonicContact OD2-NH2 2.76Å; D295-R298 PolarHBondContact OD2-NH2 2.8Å
296	P	96.3	Very high	97.4	Very high	20 Å²	20	28.1 Å²	28.1	13%	0.13	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-29.2	177.8	27.6	-34.6	0	0	0	112.2	R298 I299 H325	P296-R298 PolarHBondContact O-N 3.26Å; P296-I299 HydrophobicContact CB-CD1 4.41Å; P296-H325 PolarHBondContact O-CE1 2.59Å
297	E	95.5	Very high	97.5	Very high	134 Å²	134	25.2 Å²	25.2	63%	0.626	14%	0.139	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	-3.5	175.9	-66.8	169.8	-152.1	0	0	113	D295 H325	D295-E297 PolarHBondContact O-N 2.9Å; E297-H325 PolarHBondContact O-CD2 3.46Å; E297-H325 PolarHBondContact O-NE2 3.36Å
298	R	96.2	Very high	97.6	Very high	66 Å²	66	20.6 Å²	20.6	25%	0.249	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	45.7	175.9	-67.2	-179.6	-70.7	142.7	6.2	112	K216 P218 V219 D295 P296	K216-R298 PolarHBondContact O-NH2 2.93Å; P218-R298 HydrophobicContact CB-CB 4.45Å; V219-R298 PolarHBondContact N-O 3.07Å; D295-R298 HydrophobicContact CB-CB 4.29Å; D295-R298 CarbonylContact O-C 2.96Å; D295-R298 PolarHBondContact O-N 3.19Å; D295-R298 VanDerWaalsContact O-N 3.08Å; D295-R298 IonicContact OD2-CZ 2.63Å; D295-R298 IonicContact OD2-NE 2.72Å; D295-R298 PolarHBondContact OD2-NE 2.92Å; D295-R298 IonicContact OD2-NH2 2.76Å; D295-R298 PolarHBondContact OD2-NH2 2.8Å; P296-R298 PolarHBondContact O-N 3.26Å
299	I	98.4	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.8	163.8	-64.6	166.3	0	0	0	109.5	V219 L282 L285 N286 P296 L323 F324 H325	V219-I299 HydrophobicContact CB-CG1 3.99Å; V219-I299 HydrophobicContact CG1-CG1 4.33Å; V219-I299 HydrophobicContact CG2-CG1 4.45Å; V219-I299 CarbonylContact O-C 3.6Å; V219-I299 WeakPolarHBondContact O-CA 3.41Å; L282-I299 HydrophobicContact CD2-CG2 3.94Å; L285-I299 HydrophobicContact CB-CD1 4.28Å; N286-I299 HydrophobicContact CB-CD1 4.48Å; P296-I299 HydrophobicContact CB-CD1 4.41Å; I299-L323 WeakPolarHBondContact CD1-O 3.19Å; I299-F324 HydrophobicContact CB-CB 4.27Å; I299-F324 HydrophobicContact CG2-CB 3.8Å; I299-H325 PolarHBondContact O-N 3.1Å
300	T	98.9	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.8	171.4	-58.3	0	0	0	0	108.4	V219 M220 L221 R326 I328 A581	V219-T300 PolarHBondContact O-N 3.23Å; M220-T300 CarbonylContact C-O 3.53Å; M220-T300 WeakPolarHBondContact CA-O 3.4Å; L221-T300 PolarHBondContact N-O 3.26Å; T300-R326 CarbonylContact C-O 3.53Å; T300-R326 WeakPolarHBondContact CA-O 3.4Å; T300-R326 HydrophobicContact CG2-CB 3.9Å; T300-I328 HydrophobicContact CG2-CD1 4.27Å; T300-I328 HydrophobicContact CG2-CG1 4.09Å; T300-A581 HydrophobicContact CG2-CB 4.27Å; T300-A581 WeakPolarHBondContact OG1-CA 3.23Å
301	I	98.9	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.3	170.8	59.9	174.9	0	0	0	110	L221 L282 V311 L314 F324 R326 A327 I328	L221-I301 HydrophobicContact CB-CG2 4.4Å; L221-I301 HydrophobicContact CD2-CG2 4.32Å; L221-I301 WeakPolarHBondContact O-CA 3.42Å; L282-I301 HydrophobicContact CD1-CG2 4.29Å; L282-I301 HydrophobicContact CD2-CG2 3.78Å; I301-V311 HydrophobicContact CB-CG2 4.29Å; I301-V311 HydrophobicContact CD1-CB 4.22Å; I301-V311 HydrophobicContact CD1-CG1 3.91Å; I301-V311 HydrophobicContact CD1-CG2 4.1Å; I301-V311 HydrophobicContact CG1-CG1 3.99Å; I301-V311 HydrophobicContact CG1-CG2 4.13Å; I301-L314 HydrophobicContact CD1-CB 4.15Å; I301-L314 HydrophobicContact CD1-CD1 4.2Å; I301-F324 HydrophobicContact CD1-CD1 4.1Å; I301-F324 HydrophobicContact CD1-CD2 3.89Å; I301-F324 HydrophobicContact CD1-CE1 3.79Å; I301-F324 HydrophobicContact CD1-CE2 3.58Å; I301-F324 HydrophobicContact CD1-CG 4.15Å; I301-F324 HydrophobicContact CD1-CZ 3.52Å; I301-F324 HydrophobicContact CG1-CD2 3.8Å; I301-F324 HydrophobicContact CG1-CE2 3.88Å; I301-F324 HydrophobicContact CG1-CG 4.2Å; I301-F324 HydrophobicContact CG1-CZ 4.33Å; I301-F324 HydrophobicContact CG2-CB 4.06Å; I301-F324 HydrophobicContact CG2-CD1 4.3Å; I301-F324 HydrophobicContact CG2-CD2 4.45Å; I301-F324 HydrophobicContact CG2-CG 4.02Å; I301-R326 PolarHBondContact N-O 3.07Å; I301-A327 HydrophobicContact CG1-CB 4.18Å; I301-A327 CarbonylContact O-C 3.54Å; I301-A327 WeakPolarHBondContact O-CA 3.35Å; I301-I328 PolarHBondContact O-N 3.23Å
302	F	98.9	Very high	97.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.6	173.2	73.9	-62.3	0	0	0	112.4	M220 L221 F222 I223 L241 V249 I328 V546 F547	M220-F302 HydrophobicContact CB-CD1 4.06Å; M220-F302 HydrophobicContact CB-CE1 3.68Å; M220-F302 HydrophobicContact CE-CD1 4.21Å; M220-F302 HydrophobicContact CE-CE1 4.26Å; M220-F302 HydrophobicContact CE-CG 4.39Å; M220-F302 HydrophobicContact CE-CZ 4.46Å; L221-F302 VanDerWaalsContact O-CD1 3.28Å; L221-F302 WeakPolarHBondContact O-CD1 3.34Å; L221-F302 PolarHBondContact O-N 2.94Å; F222-F302 CarbonylContact C-O 3.38Å; F222-F302 VanDerWaalsContact CA-O 3.3Å; F222-F302 WeakPolarHBondContact CA-O 3.35Å; F222-F302 HydrophobicContact CB-CD1 4.17Å; F222-F302 HydrophobicContact CB-CE1 3.61Å; F222-F302 HydrophobicContact CB-CE2 4.37Å; F222-F302 HydrophobicContact CB-CZ 3.73Å; F222-F302 HydrophobicContact CD2-CD1 4.24Å; F222-F302 AromaticContact CD2-CD2 3.61Å; F222-F302 HydrophobicContact CD2-CD2 3.61Å; F222-F302 HydrophobicContact CD2-CE1 4.12Å; F222-F302 AromaticContact CD2-CE2 3.5Å; F222-F302 HydrophobicContact CD2-CE2 3.5Å; F222-F302 VanDerWaalsContact CD2-CE2 3.5Å; F222-F302 AromaticContact CD2-CG 3.98Å; F222-F302 HydrophobicContact CD2-CG 3.98Å; F222-F302 AromaticContact CD2-CZ 3.77Å; F222-F302 HydrophobicContact CD2-CZ 3.77Å; F222-F302 WeakPolarHBondContact CD2-O 3.3Å; F222-F302 HydrophobicContact CE2-CD2 4.18Å; F222-F302 HydrophobicContact CE2-CE2 4.17Å; F222-F302 HydrophobicContact CG-CE1 4.35Å; F222-F302 HydrophobicContact CG-CE2 4.28Å; F222-F302 HydrophobicContact CG-CZ 4.11Å; I223-F302 PolarHBondContact N-O 3.22Å; L241-F302 HydrophobicContact CD2-CE2 4.28Å; L241-F302 HydrophobicContact CD2-CZ 3.9Å; V249-F302 HydrophobicContact CG1-CE1 4.18Å; V249-F302 HydrophobicContact CG1-CZ 4.14Å; F302-I328 VanDerWaalsContact CA-O 3.29Å; F302-I328 WeakPolarHBondContact CA-O 3.24Å; F302-I328 HydrophobicContact CB-CB 3.66Å; F302-I328 HydrophobicContact CB-CD1 4.35Å; F302-I328 HydrophobicContact CB-CG1 4.25Å; F302-I328 HydrophobicContact CB-CG2 4.49Å; F302-V546 HydrophobicContact CD2-CG1 4.42Å; F302-V546 HydrophobicContact CE2-CG1 3.93Å; F302-F547 HydrophobicContact CE2-CE2 4.2Å; F302-F547 AromaticContact CE2-CZ 3.96Å; F302-F547 HydrophobicContact CE2-CZ 3.96Å; F302-F547 HydrophobicContact CZ-CE1 4.46Å; F302-F547 HydrophobicContact CZ-CZ 4Å
303	G	98.8	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	168.4	179.8	0	0	0	0	0	111.8	I223 I328 Q330	I223-G303 WeakPolarHBondContact O-CA 3.17Å; G303-I328 PolarHBondContact N-O 2.85Å; G303-Q330 WeakPolarHBondContact O-CB 3.47Å; G303-Q330 PolarHBondContact O-N 2.89Å
304	S	98.4	Very high	98.1	Very high	6 Å²	6	12.3 Å²	12.3	4%	0.042	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.6	175.3	-172.3	0	0	0	0	111.9	G225 A306 G307 Q330 E542	G225-S304 VanDerWaalsContact CA-O 3.31Å; G225-S304 WeakPolarHBondContact CA-O 3.47Å; S304-A306 PolarHBondContact O-N 2.97Å; S304-G307 WeakPolarHBondContact O-CA 3.36Å; S304-G307 PolarHBondContact O-N 3.41Å; S304-Q330 VanDerWaalsContact CA-O 3.25Å; S304-Q330 WeakPolarHBondContact CA-O 3.48Å; S304-E542 WeakPolarHBondContact CB-OE1 3.5Å; S304-E542 PolarHBondContact OG-OE1 2.92Å
305	G	98.1	Very high	98.1	Very high	4 Å²	4	12.5 Å²	12.5	4%	0.041	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-127.4	-176.4	0	0	0	0	0	111.8	G307 A308 S309 Q330 S331 H539	G305-G307 PolarHBondContact O-N 2.94Å; G305-G307 VanDerWaalsContact O-N 3.11Å; G305-A308 WeakPolarHBondContact O-CA 3.2Å; G305-A308 WeakPolarHBondContact O-CB 3.49Å; G305-A308 PolarHBondContact O-N 2.82Å; G305-S309 PolarHBondContact O-N 3.3Å; G305-Q330 PolarHBondContact N-O 3.27Å; G305-S331 WeakPolarHBondContact CA-O 3.3Å; G305-H539 WeakPolarHBondContact CA-NE2 3.49Å
306	A	98.4	Very high	98.1	Very high	10 Å²	10	12.1 Å²	12.1	8%	0.083	6%	0.059	C	C	.	.	H	α-helix	trans	-55	-26.9	173.2	0	0	0	0	0	113.7	Y228 S304 S309 C310	Y228-A306 HydrophobicContact CD1-CB 3.99Å; Y228-A306 HydrophobicContact CE1-CB 3.9Å; Y228-A306 WeakPolarHBondContact CE1-O 3.37Å; Y228-A306 HydrophobicContact CG-CB 4.36Å; S304-A306 PolarHBondContact O-N 2.97Å; A306-S309 WeakPolarHBondContact O-CB 3.36Å; A306-S309 PolarHBondContact O-N 2.83Å; A306-C310 PolarHBondContact O-N 3.38Å
307	G	98.8	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-71.1	-33.4	173.8	0	0	0	0	0	112.8	H224 S304 G305 C310 V311	H224-G307 VanDerWaalsContact O-CA 3.28Å; H224-G307 WeakPolarHBondContact O-CA 3.48Å; S304-G307 WeakPolarHBondContact O-CA 3.36Å; S304-G307 PolarHBondContact O-N 3.41Å; G305-G307 PolarHBondContact O-N 2.94Å; G305-G307 VanDerWaalsContact O-N 3.11Å; G307-C310 WeakPolarHBondContact O-CB 3.5Å; G307-C310 PolarHBondContact O-N 2.84Å; G307-V311 WeakPolarHBondContact O-CG2 3.46Å; G307-V311 PolarHBondContact O-N 3.31Å
308	A	98.8	Very high	98	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-72.2	-35	170.2	0	0	0	0	0	111.6	G305 V311 N312 A329 Q330	G305-A308 WeakPolarHBondContact O-CA 3.2Å; G305-A308 WeakPolarHBondContact O-CB 3.49Å; G305-A308 PolarHBondContact O-N 2.82Å; A308-V311 WeakPolarHBondContact O-CB 3.41Å; A308-V311 PolarHBondContact O-N 3.2Å; A308-N312 PolarHBondContact O-N 2.93Å; A308-N312 PolarHBondContact O-ND2 3.32Å; A308-A329 HydrophobicContact CB-CB 4.16Å; A308-Q330 WeakPolarHBondContact CB-O 3.43Å
309	S	98.8	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.8	-44.6	169.2	-56	0	0	0	0	111.5	Y228 G305 A306 N312 L313 T333 S339	Y228-S309 WeakPolarHBondContact OH-CB 3.33Å; G305-S309 PolarHBondContact O-N 3.3Å; A306-S309 WeakPolarHBondContact O-CB 3.36Å; A306-S309 PolarHBondContact O-N 2.83Å; S309-N312 PolarHBondContact O-N 3.22Å; S309-L313 WeakPolarHBondContact O-CG 3.34Å; S309-L313 PolarHBondContact O-N 2.88Å; S309-T333 WeakPolarHBondContact CA-O 3.34Å; S309-T333 VanDerWaalsContact CB-O 3.28Å; S309-T333 WeakPolarHBondContact CB-O 3.33Å; S309-T333 PolarHBondContact OG-O 3.06Å; S309-S339 PolarHBondContact OG-OG 2.93Å
310	C	98.9	Very high	97.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.7	-47.5	170.2	-81.7	0	0	0	0	112.6	I223 L275 Q278 A306 G307 N312 L313 L314	I223-C310 HydrophobicContact CG2-CB 3.91Å; L275-C310 HydrophobicContact CD2-CB 4.27Å; Q278-C310 PolarHBondContact NE2-SG 3.09Å; A306-C310 PolarHBondContact O-N 3.38Å; G307-C310 WeakPolarHBondContact O-CB 3.5Å; G307-C310 PolarHBondContact O-N 2.84Å; C310-N312 VanDerWaalsContact C-N 3.3Å; C310-N312 PolarHBondContact O-N 2.85Å; C310-L313 PolarHBondContact O-N 2.9Å; C310-L313 VanDerWaalsContact O-N 3.11Å; C310-L314 WeakPolarHBondContact O-CG 3.22Å; C310-L314 PolarHBondContact O-N 2.94Å
311	V	98.8	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-54.7	-44.5	176.2	162.7	0	0	0	0	112	I223 I301 G307 A308 L314 I315 A327	I223-V311 HydrophobicContact CD1-CG2 4.16Å; I301-V311 HydrophobicContact CB-CG2 4.29Å; I301-V311 HydrophobicContact CD1-CB 4.22Å; I301-V311 HydrophobicContact CD1-CG1 3.91Å; I301-V311 HydrophobicContact CD1-CG2 4.1Å; I301-V311 HydrophobicContact CG1-CG1 3.99Å; I301-V311 HydrophobicContact CG1-CG2 4.13Å; G307-V311 WeakPolarHBondContact O-CG2 3.46Å; G307-V311 PolarHBondContact O-N 3.31Å; A308-V311 WeakPolarHBondContact O-CB 3.41Å; A308-V311 PolarHBondContact O-N 3.2Å; V311-L314 PolarHBondContact O-N 2.96Å; V311-I315 HydrophobicContact CG1-CD1 4.28Å; V311-I315 WeakPolarHBondContact O-CG1 3.38Å; V311-I315 PolarHBondContact O-N 3.17Å; V311-I315 VanDerWaalsContact O-N 3.16Å; V311-A327 HydrophobicContact CG1-CB 3.71Å
312	N	98.5	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-35.6	177.4	-76.6	-100.3	0	0	0	112.7	A308 S309 C310 I315 L316 A329 G332 A334 M408 T506	A308-N312 PolarHBondContact O-N 2.93Å; A308-N312 PolarHBondContact O-ND2 3.32Å; S309-N312 PolarHBondContact O-N 3.22Å; C310-N312 VanDerWaalsContact C-N 3.3Å; C310-N312 PolarHBondContact O-N 2.85Å; N312-I315 WeakPolarHBondContact O-CB 3.45Å; N312-I315 PolarHBondContact O-N 3.08Å; N312-L316 WeakPolarHBondContact O-CG 3.38Å; N312-L316 PolarHBondContact O-N 2.83Å; N312-A329 WeakPolarHBondContact ND2-CB 3.19Å; N312-G332 PolarHBondContact ND2-O 3.5Å; N312-A334 HydrophobicContact CB-CB 3.78Å; N312-M408 HydrophobicContact CB-CE 4.49Å; N312-T506 WeakPolarHBondContact OD1-CG2 3.43Å
313	L	98.6	Very high	97.1	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-72.2	-32.6	176.9	-70.5	164.8	0	0	0	112.3	L275 S309 C310 L316 S317 A334 V340 P393 V400 P404	L275-L313 HydrophobicContact CD1-CB 4.34Å; L275-L313 HydrophobicContact CD1-CD1 4.47Å; S309-L313 WeakPolarHBondContact O-CG 3.34Å; S309-L313 PolarHBondContact O-N 2.88Å; C310-L313 PolarHBondContact O-N 2.9Å; C310-L313 VanDerWaalsContact O-N 3.11Å; L313-L316 PolarHBondContact O-N 3.28Å; L313-S317 WeakPolarHBondContact O-CB 3.16Å; L313-S317 PolarHBondContact O-N 2.02Å; L313-A334 HydrophobicContact CD2-CB 3.83Å; L313-A334 HydrophobicContact CG-CB 3.97Å; L313-V340 HydrophobicContact CD2-CG2 4.33Å; L313-P393 HydrophobicContact CD1-CB 3.55Å; L313-P393 HydrophobicContact CD1-CG 3.51Å; L313-V400 HydrophobicContact CD2-CG1 4.34Å; L313-V400 HydrophobicContact CD2-CG2 4.21Å; L313-P404 HydrophobicContact CD2-CG 3.82Å
314	L	98.4	Very high	97.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-68.3	-36.3	173.3	-69.2	173.3	0	0	0	112.2	I223 Q278 I279 L282 I301 C310 V311 L316 S317 S320 F324	I223-L314 HydrophobicContact CD1-CD1 3.47Å; I223-L314 VanDerWaalsContact CD1-CD1 3.47Å; Q278-L314 HydrophobicContact CB-CD1 4.11Å; Q278-L314 HydrophobicContact CB-CD2 4.41Å; I279-L314 HydrophobicContact CD1-CD2 4.03Å; I279-L314 HydrophobicContact CG1-CD2 3.55Å; L282-L314 HydrophobicContact CD1-CD1 4.31Å; I301-L314 HydrophobicContact CD1-CB 4.15Å; I301-L314 HydrophobicContact CD1-CD1 4.2Å; C310-L314 WeakPolarHBondContact O-CG 3.22Å; C310-L314 PolarHBondContact O-N 2.94Å; V311-L314 PolarHBondContact O-N 2.96Å; L314-L316 VanDerWaalsContact C-N 3.29Å; L314-L316 PolarHBondContact O-N 2.93Å; L314-S317 PolarHBondContact O-N 2.78Å; L314-S320 VanDerWaalsContact O-CB 3.3Å; L314-S320 WeakPolarHBondContact O-CB 2.99Å; L314-S320 PolarHBondContact O-OG 3.28Å; L314-F324 HydrophobicContact CB-CE1 4.33Å
315	I	96.9	Very high	96.9	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-57.4	-42	170.9	-77.3	160.4	0	0	0	111.7	V311 N312 S317 F324 A327 F413 Y416 I418	V311-I315 HydrophobicContact CG1-CD1 4.28Å; V311-I315 WeakPolarHBondContact O-CG1 3.38Å; V311-I315 PolarHBondContact O-N 3.17Å; V311-I315 VanDerWaalsContact O-N 3.16Å; N312-I315 WeakPolarHBondContact O-CB 3.45Å; N312-I315 PolarHBondContact O-N 3.08Å; I315-S317 VanDerWaalsContact C-N 3.28Å; I315-S317 PolarHBondContact O-N 2.86Å; I315-F324 HydrophobicContact CG1-CE2 4.05Å; I315-F324 HydrophobicContact CG1-CZ 3.91Å; I315-A327 HydrophobicContact CD1-CB 3.48Å; I315-A327 VanDerWaalsContact CD1-CB 3.48Å; I315-A327 HydrophobicContact CG1-CB 4.16Å; I315-F413 HydrophobicContact CG2-CB 3.35Å; I315-Y416 HydrophobicContact CB-CD2 4.37Å; I315-Y416 HydrophobicContact CG1-CD2 4.15Å; I315-Y416 HydrophobicContact CG2-CD2 3.9Å; I315-Y416 HydrophobicContact CG2-CE2 4.28Å; I315-I418 HydrophobicContact CD1-CD1 4.21Å
316	L	96.3	Very high	96.9	Very high	7 Å²	7	23 Å²	23	4%	0.037	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	8.3	-178.4	-62.2	169.7	0	0	0	113.7	N312 L313 L314 A334 P404 L407 M408 F413	N312-L316 WeakPolarHBondContact O-CG 3.38Å; N312-L316 PolarHBondContact O-N 2.83Å; L313-L316 PolarHBondContact O-N 3.28Å; L314-L316 VanDerWaalsContact C-N 3.29Å; L314-L316 PolarHBondContact O-N 2.93Å; L316-A334 HydrophobicContact CD1-CB 4.11Å; L316-P404 HydrophobicContact CD1-CB 3.8Å; L316-L407 HydrophobicContact CB-CD1 4.17Å; L316-L407 HydrophobicContact CD1-CB 4.47Å; L316-L407 HydrophobicContact CD2-CB 3.9Å; L316-M408 HydrophobicContact CD1-CE 4.01Å; L316-M408 HydrophobicContact CD1-CG 4.18Å; L316-M408 HydrophobicContact CD2-CG 3.93Å; L316-F413 HydrophobicContact CD2-CB 3.96Å; L316-F413 HydrophobicContact CD2-CD1 4.11Å
317	S	96.4	Very high	96.9	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	12%	0.119	C	C	.	.			trans	-114.8	113.7	-173	-170.6	0	0	0	0	111.6	L313 L314 I315 H319 S320 V399	L313-S317 WeakPolarHBondContact O-CB 3.16Å; L313-S317 PolarHBondContact O-N 2.02Å; L314-S317 PolarHBondContact O-N 2.78Å; I315-S317 VanDerWaalsContact C-N 3.28Å; I315-S317 PolarHBondContact O-N 2.86Å; S317-H319 PolarHBondContact O-N 2.91Å; S317-S320 WeakPolarHBondContact O-CB 3.4Å; S317-S320 PolarHBondContact O-N 3.26Å; S317-S320 PolarHBondContact O-OG 3.37Å; S317-V399 WeakPolarHBondContact CB-O 3.18Å; S317-V399 PolarHBondContact OG-O 2.87Å
318	H	94.3	Very high	96.9	Very high	95 Å²	95	22.6 Å²	22.6	44%	0.44	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-55	-25.6	178.5	77.8	-89.7	0	0	0	113.6	S320 E321 D398	H318-S320 PolarHBondContact O-N 2.92Å; H318-E321 WeakPolarHBondContact CA-OE1 3.45Å; H318-E321 WeakPolarHBondContact CB-OE1 3.35Å; H318-E321 PolarHBondContact O-N 2.99Å; H318-D398 PolarHBondContact CE1-O 3.34Å; H318-D398 IonicContact CE1-OD1 3.23Å; H318-D398 PolarHBondContact ND1-O 3.06Å
319	H	95.6	Very high	96.9	Very high	47 Å²	47	22.6 Å²	22.6	22%	0.218	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-65.1	-14.9	174.4	-76.9	-86.5	0	0	0	114.6	I279 R283 S317 D398	I279-H319 HydrophobicContact CD1-CB 3.79Å; I279-H319 HydrophobicContact CG2-CB 4.33Å; I279-H319 WeakPolarHBondContact CG2-O 3.36Å; R283-H319 PolarHBondContact NH2-O 3.36Å; S317-H319 PolarHBondContact O-N 2.91Å; H319-D398 IonicContact CD2-OD1 2.73Å; H319-D398 IonicContact CE1-OD1 3.39Å; H319-D398 IonicContact NE2-OD1 2.72Å; H319-D398 PolarHBondContact NE2-OD1 3.39Å
320	S	95.4	Very high	96.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-103.3	-6.6	-176	-42.6	0	0	0	0	114.2	L314 S317 H318 G322 L323	L314-S320 VanDerWaalsContact O-CB 3.3Å; L314-S320 WeakPolarHBondContact O-CB 2.99Å; L314-S320 PolarHBondContact O-OG 3.28Å; S317-S320 WeakPolarHBondContact O-CB 3.4Å; S317-S320 PolarHBondContact O-N 3.26Å; S317-S320 PolarHBondContact O-OG 3.37Å; H318-S320 PolarHBondContact O-N 2.92Å; S320-G322 PolarHBondContact O-N 2.89Å; S320-L323 WeakPolarHBondContact O-CB 3.5Å; S320-L323 WeakPolarHBondContact O-CG 3.3Å; S320-L323 PolarHBondContact O-N 2.88Å; S320-L323 VanDerWaalsContact O-N 3.12Å
321	E	92.9	Very high	96.9	Very high	135 Å²	135	22.6 Å²	22.6	63%	0.631	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	133.3	-176.8	-74.3	176.6	-140.2	0	0	112.5	H318 L323	H318-E321 WeakPolarHBondContact CA-OE1 3.45Å; H318-E321 WeakPolarHBondContact CB-OE1 3.35Å; H318-E321 PolarHBondContact O-N 2.99Å; E321-L323 PolarHBondContact O-N 3.25Å; E321-L323 VanDerWaalsContact O-N 3.09Å
322	G	92.5	Very high	96.8	Very high	51 Å²	51	22.7 Å²	22.7	53%	0.526	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-1.6	179.5	0	0	0	0	0	115.7	N286 S320	N286-G322 PolarHBondContact ND2-O 3.24Å; S320-G322 PolarHBondContact O-N 2.89Å
323	L	96.6	Very high	96.8	Very high	22 Å²	22	22.8 Å²	22.8	12%	0.115	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-26.4	178.2	-55.2	-175.5	0	0	0	113.2	I279 L282 R283 I299 S320 E321	I279-L323 HydrophobicContact CG2-CD1 4.1Å; L282-L323 HydrophobicContact CB-CB 4.01Å; L282-L323 HydrophobicContact CB-CD1 3.89Å; R283-L323 HydrophobicContact CG-CD1 3.66Å; R283-L323 HydrophobicContact CG-CD2 3.88Å; R283-L323 HydrophobicContact CG-CG 4.46Å; I299-L323 WeakPolarHBondContact CD1-O 3.19Å; S320-L323 WeakPolarHBondContact O-CB 3.5Å; S320-L323 WeakPolarHBondContact O-CG 3.3Å; S320-L323 PolarHBondContact O-N 2.88Å; S320-L323 VanDerWaalsContact O-N 3.12Å; E321-L323 PolarHBondContact O-N 3.25Å; E321-L323 VanDerWaalsContact O-N 3.09Å
324	F	97.1	Very high	96.8	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.013	12%	0.12	C	C	.	.			trans	-141	169.3	173.7	69.4	-86.8	0	0	0	110.4	L282 I299 I301 L314 I315 R326 Y416	L282-F324 HydrophobicContact CD1-CD1 4.03Å; L282-F324 HydrophobicContact CD2-CB 4.26Å; I299-F324 HydrophobicContact CB-CB 4.27Å; I299-F324 HydrophobicContact CG2-CB 3.8Å; I301-F324 HydrophobicContact CD1-CD1 4.1Å; I301-F324 HydrophobicContact CD1-CD2 3.89Å; I301-F324 HydrophobicContact CD1-CE1 3.79Å; I301-F324 HydrophobicContact CD1-CE2 3.58Å; I301-F324 HydrophobicContact CD1-CG 4.15Å; I301-F324 HydrophobicContact CD1-CZ 3.52Å; I301-F324 HydrophobicContact CG1-CD2 3.8Å; I301-F324 HydrophobicContact CG1-CE2 3.88Å; I301-F324 HydrophobicContact CG1-CG 4.2Å; I301-F324 HydrophobicContact CG1-CZ 4.33Å; I301-F324 HydrophobicContact CG2-CB 4.06Å; I301-F324 HydrophobicContact CG2-CD1 4.3Å; I301-F324 HydrophobicContact CG2-CD2 4.45Å; I301-F324 HydrophobicContact CG2-CG 4.02Å; L314-F324 HydrophobicContact CB-CE1 4.33Å; I315-F324 HydrophobicContact CG1-CE2 4.05Å; I315-F324 HydrophobicContact CG1-CZ 3.91Å; F324-R326 WeakPolarHBondContact CD2-O 3.5Å; F324-Y416 AromaticContact CD2-CD1 3.92Å; F324-Y416 HydrophobicContact CD2-CD1 3.92Å; F324-Y416 AromaticContact CD2-CE1 3.88Å; F324-Y416 HydrophobicContact CD2-CE1 3.88Å; F324-Y416 HydrophobicContact CE1-CE1 4.36Å; F324-Y416 AromaticContact CE2-CD1 3.49Å; F324-Y416 HydrophobicContact CE2-CD1 3.49Å; F324-Y416 VanDerWaalsContact CE2-CD1 3.49Å; F324-Y416 HydrophobicContact CE2-CD2 4.5Å; F324-Y416 AromaticContact CE2-CE1 3.5Å; F324-Y416 HydrophobicContact CE2-CE1 3.5Å; F324-Y416 VanDerWaalsContact CE2-CE1 3.5Å; F324-Y416 HydrophobicContact CE2-CG 4.03Å; F324-Y416 HydrophobicContact CG-CE1 4.46Å; F324-Y416 HydrophobicContact CZ-CD1 4.16Å; F324-Y416 AromaticContact CZ-CE1 3.76Å; F324-Y416 HydrophobicContact CZ-CE1 3.76Å; F324-Y416 HydrophobicContact CZ-CE2 4.29Å; F324-Y416 AromaticContact CZ-CZ 3.84Å; F324-Y416 WeakPolarHBondContact O-CE1 3.43Å
325	H	94.8	Very high	96.7	Very high	69 Å²	69	24.6 Å²	24.6	32%	0.319	13%	0.13	S	C	.	.	S	Bend	trans	-124.8	-21.3	-171.8	-62.8	67.8	0	0	0	113	P296 E297 I299	P296-H325 PolarHBondContact O-CE1 2.59Å; E297-H325 PolarHBondContact O-CD2 3.46Å; E297-H325 PolarHBondContact O-NE2 3.36Å; I299-H325 PolarHBondContact O-N 3.1Å
326	R	97.6	Very high	96.7	Very high	34 Å²	34	24.7 Å²	24.7	13%	0.128	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.5	-176	-52	-169.4	170.4	90.9	17.5	111.8	T300 I301 F324 D417 F580 A581 T583 G584	T300-R326 CarbonylContact C-O 3.53Å; T300-R326 WeakPolarHBondContact CA-O 3.4Å; T300-R326 HydrophobicContact CG2-CB 3.9Å; I301-R326 PolarHBondContact N-O 3.07Å; F324-R326 WeakPolarHBondContact CD2-O 3.5Å; R326-D417 WeakPolarHBondContact CA-O 3.28Å; R326-D417 HydrophobicContact CB-CB 4.34Å; R326-D417 WeakPolarHBondContact CD-OD2 3.31Å; R326-D417 HydrophobicContact CG-CB 3.94Å; R326-D417 IonicContact CZ-OD2 3.6Å; R326-D417 IonicContact NE-OD2 3.63Å; R326-D417 PolarHBondContact NE-OD2 2.78Å; R326-D417 IonicContact NH2-OD2 3.41Å; R326-D417 PolarHBondContact NH2-OD2 3.11Å; R326-F580 HydrophobicContact CB-CE1 3.92Å; R326-F580 HydrophobicContact CB-CZ 4.28Å; R326-F580 WeakPolarHBondContact CD-O 3.45Å; R326-A581 PolarHBondContact NH1-O 3.41Å; R326-A581 VanDerWaalsContact NH1-O 3.11Å; R326-T583 PolarHBondContact NH2-O 2.85Å; R326-G584 VanDerWaalsContact CZ-N 3.34Å
327	A	98.6	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143.1	178.9	0	0	0	0	0	112.4	I301 V311 I315 D417 I418 L419 F580	I301-A327 HydrophobicContact CG1-CB 4.18Å; I301-A327 CarbonylContact O-C 3.54Å; I301-A327 WeakPolarHBondContact O-CA 3.35Å; V311-A327 HydrophobicContact CG1-CB 3.71Å; I315-A327 HydrophobicContact CD1-CB 3.48Å; I315-A327 VanDerWaalsContact CD1-CB 3.48Å; I315-A327 HydrophobicContact CG1-CB 4.16Å; A327-D417 PolarHBondContact N-O 2.9Å; A327-I418 HydrophobicContact CB-CG1 4.32Å; A327-I418 WeakPolarHBondContact O-CA 3.46Å; A327-L419 PolarHBondContact O-N 2.91Å; A327-F580 WeakPolarHBondContact O-CE1 3.12Å
328	I	98.9	Very high	96.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	114.4	166.8	-48.1	178.6	0	0	0	109.7	M220 T300 I301 F302 G303 Q330 L419 W577 F580	M220-I328 HydrophobicContact CE-CD1 4Å; T300-I328 HydrophobicContact CG2-CD1 4.27Å; T300-I328 HydrophobicContact CG2-CG1 4.09Å; I301-I328 PolarHBondContact O-N 3.23Å; F302-I328 VanDerWaalsContact CA-O 3.29Å; F302-I328 WeakPolarHBondContact CA-O 3.24Å; F302-I328 HydrophobicContact CB-CB 3.66Å; F302-I328 HydrophobicContact CB-CD1 4.35Å; F302-I328 HydrophobicContact CB-CG1 4.25Å; F302-I328 HydrophobicContact CB-CG2 4.49Å; G303-I328 PolarHBondContact N-O 2.85Å; I328-Q330 HydrophobicContact CG2-CG 4.19Å; I328-L419 CarbonylContact C-O 3.56Å; I328-L419 VanDerWaalsContact CA-O 3.25Å; I328-L419 WeakPolarHBondContact CA-O 3.49Å; I328-L419 HydrophobicContact CG1-CB 4.17Å; I328-L419 HydrophobicContact CG2-CB 4.2Å; I328-L419 HydrophobicContact CG2-CD2 3.63Å; I328-L419 HydrophobicContact CG2-CG 4.46Å; I328-W577 HydrophobicContact CD1-CB 4.44Å; I328-W577 HydrophobicContact CD1-CG 4.06Å; I328-F580 HydrophobicContact CD1-CD1 3.89Å; I328-F580 HydrophobicContact CD1-CE1 4.46Å; I328-F580 HydrophobicContact CG1-CD1 3.72Å; I328-F580 HydrophobicContact CG1-CE1 3.79Å
329	A	98.8	Very high	96.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101	-178.1	0	0	0	0	0	110.5	A308 N312 L419 I420 G421	A308-A329 HydrophobicContact CB-CB 4.16Å; N312-A329 WeakPolarHBondContact ND2-CB 3.19Å; A329-L419 PolarHBondContact N-O 3.03Å; A329-I420 HydrophobicContact CB-CB 4.43Å; A329-I420 HydrophobicContact CB-CD1 4.32Å; A329-I420 HydrophobicContact CB-CG1 4.12Å; A329-I420 WeakPolarHBondContact O-CA 3.41Å; A329-G421 PolarHBondContact O-N 3.18Å
330	Q	98.8	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.4	178.7	-57.4	166.8	-156.4	0	0	109.6	G303 S304 G305 A308 I328 G332 Y520 E542 W577	G303-Q330 WeakPolarHBondContact O-CB 3.47Å; G303-Q330 PolarHBondContact O-N 2.89Å; S304-Q330 VanDerWaalsContact CA-O 3.25Å; S304-Q330 WeakPolarHBondContact CA-O 3.48Å; G305-Q330 PolarHBondContact N-O 3.27Å; A308-Q330 WeakPolarHBondContact CB-O 3.43Å; I328-Q330 HydrophobicContact CG2-CG 4.19Å; Q330-G332 VanDerWaalsContact C-N 3.27Å; Q330-G332 PolarHBondContact O-N 3.49Å; Q330-G332 VanDerWaalsContact O-N 3.09Å; Q330-Y520 WeakPolarHBondContact CA-OH 3.31Å; Q330-Y520 WeakPolarHBondContact CB-OH 3.29Å; Q330-Y520 WeakPolarHBondContact CG-OH 3.48Å; Q330-E542 HydrophobicContact CB-CG 4.36Å; Q330-E542 WeakPolarHBondContact CB-OE1 3.3Å; Q330-E542 HydrophobicContact CG-CG 4.43Å; Q330-E542 VanDerWaalsContact NE2-CG 3.35Å; Q330-E542 PolarHBondContact NE2-OE1 2.86Å; Q330-W577 HydrophobicContact CG-CZ2 4.28Å
331	S	98.4	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	53	39.2	169.1	-59.7	0	0	0	0	114.8	G305 G421 E426 W499 H539	G305-S331 WeakPolarHBondContact CA-O 3.3Å; S331-G421 PolarHBondContact N-O 2.91Å; S331-E426 WeakPolarHBondContact CB-OE1 3.36Å; S331-E426 PolarHBondContact OG-OE1 3.44Å; S331-E426 PolarHBondContact OG-OE2 2.91Å; S331-W499 PolarHBondContact O-NE1 3.12Å; S331-W499 VanDerWaalsContact O-NE1 3.11Å; S331-H539 PolarHBondContact O-CE1 3.1Å
332	G	98.1	Very high	97.4	Very high	3 Å²	3	19.4 Å²	19.4	3%	0.031	10%	0.104	C	C	.	.			trans	-172.8	152.3	176.7	0	0	0	0	0	113.2	N312 Q330	N312-G332 PolarHBondContact ND2-O 3.5Å; Q330-G332 VanDerWaalsContact C-N 3.27Å; Q330-G332 PolarHBondContact O-N 3.49Å; Q330-G332 VanDerWaalsContact O-N 3.09Å
333	T	98.5	Very high	97.6	Very high	1 Å²	1	22 Å²	22	1%	0.006	10%	0.102	C	C	.	.			trans	-144.1	171.4	-175.3	73.1	0	0	0	0	110.9	S309 I335 S336 S339 I420 P502 A503	S309-T333 WeakPolarHBondContact CA-O 3.34Å; S309-T333 VanDerWaalsContact CB-O 3.28Å; S309-T333 WeakPolarHBondContact CB-O 3.33Å; S309-T333 PolarHBondContact OG-O 3.06Å; T333-I335 VanDerWaalsContact C-N 3.29Å; T333-I335 PolarHBondContact O-N 3.3Å; T333-I335 PolarHBondContact OG1-N 2.98Å; T333-I335 VanDerWaalsContact OG1-N 3.17Å; T333-S336 PolarHBondContact OG1-N 3.14Å; T333-S336 PolarHBondContact OG1-OG 3.45Å; T333-S339 WeakPolarHBondContact O-CB 3.28Å; T333-S339 PolarHBondContact O-OG 2.78Å; T333-I420 HydrophobicContact CG2-CD1 4.48Å; T333-P502 HydrophobicContact CG2-CB 3.9Å; T333-P502 WeakPolarHBondContact OG1-CB 3.46Å; T333-A503 HydrophobicContact CG2-CB 4.23Å
334	A	97.9	Very high	97.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	10%	0.103	C	C	.	.	S	Bend	trans	-76.3	-11.9	171.7	0	0	0	0	0	114.4	N312 L313 L316 S339 P404 M408	N312-A334 HydrophobicContact CB-CB 3.78Å; L313-A334 HydrophobicContact CD2-CB 3.83Å; L313-A334 HydrophobicContact CG-CB 3.97Å; L316-A334 HydrophobicContact CD1-CB 4.11Å; A334-S339 VanDerWaalsContact O-CB 3.27Å; A334-S339 WeakPolarHBondContact O-CB 3.34Å; A334-P404 HydrophobicContact CB-CB 3.58Å; A334-P404 HydrophobicContact CB-CG 4.13Å; A334-M408 HydrophobicContact CB-CE 4.24Å
335	I	97.3	Very high	97.7	Very high	40 Å²	40	24.5 Å²	24.5	21%	0.205	12%	0.117	C	C	.	.	S	Bend	trans	-114.2	7.6	-168.7	62.2	178.1	0	0	0	114.8	T333 P404 E405 M408 P502 A505	T333-I335 VanDerWaalsContact C-N 3.29Å; T333-I335 PolarHBondContact O-N 3.3Å; T333-I335 PolarHBondContact OG1-N 2.98Å; T333-I335 VanDerWaalsContact OG1-N 3.17Å; I335-P404 HydrophobicContact CG2-CB 4.01Å; I335-E405 HydrophobicContact CG2-CB 3.98Å; I335-E405 HydrophobicContact CG2-CG 4.45Å; I335-M408 HydrophobicContact CG2-SD 4.42Å; I335-P502 HydrophobicContact CG1-CB 4.03Å; I335-A505 HydrophobicContact CD1-CB 3.97Å
336	S	96.9	Very high	97.8	Very high	7 Å²	7	25.3 Å²	25.3	5%	0.049	12%	0.119	C	C	.	.	S	Bend	trans	-72.9	151.1	167.3	-56.3	0	0	0	0	110.6	T333 W338 S339 Q498	T333-S336 PolarHBondContact OG1-N 3.14Å; T333-S336 PolarHBondContact OG1-OG 3.45Å; S336-W338 PolarHBondContact O-N 2.94Å; S336-S339 VanDerWaalsContact O-CB 3.3Å; S336-S339 WeakPolarHBondContact O-CB 3.4Å; S336-S339 PolarHBondContact O-N 3.39Å; S336-S339 PolarHBondContact O-OG 3.02Å; S336-Q498 WeakPolarHBondContact CB-O 3.39Å; S336-Q498 PolarHBondContact OG-O 3.02Å
337	S	96.2	Very high	97.9	Very high	24 Å²	24	24 Å²	24	17%	0.168	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-16.4	-173.5	65.4	0	0	0	0	116.1	Y387 H388 Q498	S337-Y387 CarbonylContact C-O 3.46Å; S337-Y387 PolarHBondContact OG-O 3.27Å; S337-H388 PolarHBondContact O-CD2 3Å; S337-Q498 PolarHBondContact OG-NE2 3.28Å
338	W	96.5	Very high	97.9	Very high	16 Å²	16	24 Å²	24	6%	0.061	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.3	176.6	50.3	56.1	0	0	0	113.8	M157 S336 I389 F494 Q498 W499	M157-W338 HydrophobicContact CE-CB 3.81Å; M157-W338 HydrophobicContact CE-CD2 4.45Å; M157-W338 HydrophobicContact CE-CE3 3.93Å; M157-W338 HydrophobicContact CE-CG 4.48Å; M157-W338 HydrophobicContact CG-CD2 4.13Å; M157-W338 HydrophobicContact CG-CE3 3.75Å; M157-W338 HydrophobicContact CG-CZ3 4.01Å; M157-W338 HydrophobicContact SD-CB 3.8Å; M157-W338 HydrophobicContact SD-CD2 4.24Å; M157-W338 HydrophobicContact SD-CE3 4.12Å; M157-W338 HydrophobicContact SD-CG 4.16Å; S336-W338 PolarHBondContact O-N 2.94Å; W338-I389 HydrophobicContact CB-CG2 4.11Å; W338-I389 WeakPolarHBondContact O-CD1 3.31Å; W338-I389 WeakPolarHBondContact O-CG1 3.32Å; W338-I389 VanDerWaalsContact O-CG2 3.3Å; W338-I389 WeakPolarHBondContact O-CG2 3.34Å; W338-F494 HydrophobicContact CH2-CE1 4.34Å; W338-F494 HydrophobicContact CH2-CZ 4.41Å; W338-F494 HydrophobicContact CZ3-CE1 4.27Å; W338-F494 AromaticContact CZ3-CZ 3.93Å; W338-F494 HydrophobicContact CZ3-CZ 3.93Å; W338-Q498 HydrophobicContact CH2-CB 3.43Å; W338-Q498 VanDerWaalsContact CH2-CB 3.43Å; W338-Q498 HydrophobicContact CH2-CG 3.68Å; W338-Q498 HydrophobicContact CZ2-CB 3.8Å; W338-Q498 HydrophobicContact CZ2-CG 4.44Å; W338-Q498 HydrophobicContact CZ3-CB 4.01Å; W338-Q498 HydrophobicContact CZ3-CG 3.74Å; W338-W499 HydrophobicContact CH2-CD2 4.33Å; W338-W499 AromaticContact CH2-CE2 3.95Å; W338-W499 HydrophobicContact CH2-CE3 4.28Å; W338-W499 AromaticContact CH2-CH2 3.59Å; W338-W499 HydrophobicContact CH2-CH2 3.59Å; W338-W499 AromaticContact CH2-CZ2 3.58Å; W338-W499 HydrophobicContact CH2-CZ2 3.58Å; W338-W499 AromaticContact CH2-CZ3 3.93Å; W338-W499 HydrophobicContact CH2-CZ3 3.93Å; W338-W499 HydrophobicContact CZ2-CD2 4.14Å; W338-W499 AromaticContact CZ2-CE2 3.66Å; W338-W499 HydrophobicContact CZ2-CH2 4.16Å; W338-W499 AromaticContact CZ2-CZ2 3.68Å; W338-W499 HydrophobicContact CZ2-CZ2 3.68Å; W338-W499 AromaticContact CZ2-NE1 3.99Å
339	S	97.7	Very high	97.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.2	-173.8	-64.2	0	0	0	0	113	Y228 S309 T333 A334 S336	Y228-S339 PolarHBondContact OH-O 2.89Å; S309-S339 PolarHBondContact OG-OG 2.93Å; T333-S339 WeakPolarHBondContact O-CB 3.28Å; T333-S339 PolarHBondContact O-OG 2.78Å; A334-S339 VanDerWaalsContact O-CB 3.27Å; A334-S339 WeakPolarHBondContact O-CB 3.34Å; S336-S339 VanDerWaalsContact O-CB 3.3Å; S336-S339 WeakPolarHBondContact O-CB 3.4Å; S336-S339 PolarHBondContact O-N 3.39Å; S336-S339 PolarHBondContact O-OG 3.02Å
340	V	98.3	Very high	97.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.018	15%	0.145	C	C	.	.	S	Bend	trans	-132.5	142.5	-177.5	176.6	0	0	0	0	110.9	L313 Y342 P393 V395 P404	L313-V340 HydrophobicContact CD2-CG2 4.33Å; V340-Y342 HydrophobicContact CB-CE1 4.49Å; V340-Y342 HydrophobicContact CB-CE2 3.87Å; V340-Y342 HydrophobicContact CG1-CD1 4.29Å; V340-Y342 HydrophobicContact CG1-CD2 4.39Å; V340-Y342 HydrophobicContact CG1-CE1 3.88Å; V340-Y342 HydrophobicContact CG1-CE2 4Å; V340-P393 CarbonylContact C-O 3.51Å; V340-P393 WeakPolarHBondContact CA-O 3.39Å; V340-V395 HydrophobicContact CG1-CG2 4.22Å; V340-P404 HydrophobicContact CG2-CG 3.86Å
341	N	98.2	Very high	97.7	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	15%	0.145	C	C	.	.			trans	-97.1	99.3	176.9	178.5	8.2	0	0	0	110.6	Q343 P344 I389 A390 P393 V394	N341-Q343 PolarHBondContact O-N 3.41Å; N341-Q343 PolarHBondContact OD1-N 2.85Å; N341-P344 WeakPolarHBondContact O-CD 3.3Å; N341-I389 HydrophobicContact CB-CD1 3.89Å; N341-I389 HydrophobicContact CB-CG1 4.09Å; N341-A390 PolarHBondContact ND2-O 3.22Å; N341-P393 PolarHBondContact N-O 3.13Å; N341-V394 HydrophobicContact CB-CG1 4.1Å
342	Y	97.2	Very high	97.7	Very high	127 Å²	127	30.6 Å²	30.6	50%	0.498	15%	0.146	S	C	.	.	S	Bend	trans	-79.7	3.9	177.2	-58.6	-82.5	0	0	0	114.2	V340 V395 D403	V340-Y342 HydrophobicContact CB-CE1 4.49Å; V340-Y342 HydrophobicContact CB-CE2 3.87Å; V340-Y342 HydrophobicContact CG1-CD1 4.29Å; V340-Y342 HydrophobicContact CG1-CD2 4.39Å; V340-Y342 HydrophobicContact CG1-CE1 3.88Å; V340-Y342 HydrophobicContact CG1-CE2 4Å; Y342-V395 HydrophobicContact CE1-CG2 4.42Å; Y342-D403 VanDerWaalsContact CE1-OD2 3.32Å; Y342-D403 WeakPolarHBondContact CE1-OD2 3.29Å; Y342-D403 PolarHBondContact OH-OD2 3.14Å
343	Q	97.5	Very high	97.7	Very high	104 Å²	104	37.5 Å²	37.5	49%	0.486	17%	0.171	S	C	.	.			trans	-135.4	47.5	-178.9	-60.4	-172.2	-9.7	0	0	113.6	N341 L345 K346 Y347	N341-Q343 PolarHBondContact O-N 3.41Å; N341-Q343 PolarHBondContact OD1-N 2.85Å; Q343-L345 PolarHBondContact O-N 2.97Å; Q343-K346 HydrophobicContact CB-CB 4.29Å; Q343-K346 HydrophobicContact CB-CD 3.97Å; Q343-K346 WeakPolarHBondContact O-CB 3.18Å; Q343-K346 PolarHBondContact O-N 2.91Å; Q343-Y347 HydrophobicContact CB-CE2 4.06Å; Q343-Y347 VanDerWaalsContact O-CD2 3.25Å; Q343-Y347 WeakPolarHBondContact O-CD2 3.11Å
344	P	98	Very high	97.6	Very high	20 Å²	20	42.3 Å²	42.3	13%	0.13	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-46.3	-170.3	24.1	-32.6	0	0	0	113.3	S263 N341 K346 Y347 T348 V394	S263-P344 CarbonylContact O-C 3.52Å; N341-P344 WeakPolarHBondContact O-CD 3.3Å; P344-K346 PolarHBondContact O-N 3.04Å; P344-K346 VanDerWaalsContact O-N 3.12Å; P344-Y347 PolarHBondContact O-N 3.31Å; P344-Y347 VanDerWaalsContact O-N 3.08Å; P344-T348 WeakPolarHBondContact O-CB 3.31Å; P344-T348 PolarHBondContact O-N 3.46Å; P344-T348 PolarHBondContact O-OG1 2.88Å; P344-V394 HydrophobicContact CB-CG1 3.87Å; P344-V394 HydrophobicContact CG-CG1 4Å
345	L	97.6	Very high	97.6	Very high	58 Å²	58	42.9 Å²	42.9	30%	0.304	20%	0.195	S	C	.	.	H	α-helix	trans	-59	-29	-179	-177	55.7	0	0	0	113.4	T264 Q343 K349 T362	T264-L345 WeakPolarHBondContact O-CB 3.49Å; T264-L345 WeakPolarHBondContact O-CD1 3.48Å; Q343-L345 PolarHBondContact O-N 2.97Å; L345-K349 HydrophobicContact CD1-CD 3.86Å; L345-K349 HydrophobicContact CD1-CG 4.01Å; L345-K349 HydrophobicContact CG-CD 4.11Å; L345-K349 VanDerWaalsContact O-CB 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.3Å; L345-K349 WeakPolarHBondContact O-CG 3.45Å; L345-K349 PolarHBondContact O-N 3.19Å; L345-T362 HydrophobicContact CD1-CG2 4.33Å
346	K	97.8	Very high	97.6	Very high	87 Å²	87	43.5 Å²	43.5	38%	0.378	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-49.9	175.2	167.1	-161	176.7	-163.9	0	110.7	Q343 P344 N350	Q343-K346 HydrophobicContact CB-CB 4.29Å; Q343-K346 HydrophobicContact CB-CD 3.97Å; Q343-K346 WeakPolarHBondContact O-CB 3.18Å; Q343-K346 PolarHBondContact O-N 2.91Å; P344-K346 PolarHBondContact O-N 3.04Å; P344-K346 VanDerWaalsContact O-N 3.12Å; K346-N350 WeakPolarHBondContact O-CB 3.34Å; K346-N350 VanDerWaalsContact O-CG 3.27Å; K346-N350 PolarHBondContact O-N 2.88Å; K346-N350 PolarHBondContact O-ND2 3.23Å
347	Y	98.2	Very high	97.7	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-71.9	-40.1	-179.3	-59	-61.5	0	0	0	111.5	Q343 P344 K349 N350 L351 I382 P384 A385 A390	Q343-Y347 HydrophobicContact CB-CE2 4.06Å; Q343-Y347 VanDerWaalsContact O-CD2 3.25Å; Q343-Y347 WeakPolarHBondContact O-CD2 3.11Å; P344-Y347 PolarHBondContact O-N 3.31Å; P344-Y347 VanDerWaalsContact O-N 3.08Å; Y347-K349 PolarHBondContact O-N 3.33Å; Y347-N350 WeakPolarHBondContact O-CB 3.38Å; Y347-N350 PolarHBondContact O-N 3.32Å; Y347-N350 VanDerWaalsContact O-N 3.12Å; Y347-L351 PolarHBondContact O-N 3.08Å; Y347-I382 HydrophobicContact CD1-CG2 4.05Å; Y347-P384 HydrophobicContact CE1-CB 4.41Å; Y347-A385 PolarHBondContact OH-N 3Å; Y347-A390 WeakPolarHBondContact CB-O 3.33Å; Y347-A390 HydrophobicContact CD1-CB 4.05Å; Y347-A390 HydrophobicContact CD2-CB 4.38Å; Y347-A390 WeakPolarHBondContact CD2-O 3.45Å; Y347-A390 HydrophobicContact CE1-CB 4.46Å; Y347-A390 HydrophobicContact CG-CB 4.02Å
348	T	98.4	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.7	-45.9	171.5	-64.4	0	0	0	0	112.4	L262 S263 T264 P344 N350 L351 A352 L365	L262-T348 HydrophobicContact CD1-CG2 4.07Å; L262-T348 HydrophobicContact CD2-CG2 4.2Å; L262-T348 HydrophobicContact CG-CG2 4.05Å; S263-T348 WeakPolarHBondContact O-CB 3.09Å; S263-T348 PolarHBondContact O-OG1 2.69Å; T264-T348 HydrophobicContact CG2-CG2 4.03Å; P344-T348 WeakPolarHBondContact O-CB 3.31Å; P344-T348 PolarHBondContact O-N 3.46Å; P344-T348 PolarHBondContact O-OG1 2.88Å; T348-N350 VanDerWaalsContact C-N 3.34Å; T348-N350 PolarHBondContact O-N 3.07Å; T348-L351 PolarHBondContact O-N 3.24Å; T348-A352 VanDerWaalsContact O-CB 3.27Å; T348-A352 WeakPolarHBondContact O-CB 3.25Å; T348-A352 PolarHBondContact O-N 3.4Å; T348-L365 HydrophobicContact CG2-CD2 3.95Å
349	K	97.5	Very high	97.2	Very high	86 Å²	86	52 Å²	52	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-69	-28.1	174.9	-79.5	176.5	169.7	167.3	0	113.3	L345 Y347 R353 L365	L345-K349 HydrophobicContact CD1-CD 3.86Å; L345-K349 HydrophobicContact CD1-CG 4.01Å; L345-K349 HydrophobicContact CG-CD 4.11Å; L345-K349 VanDerWaalsContact O-CB 3.27Å; L345-K349 WeakPolarHBondContact O-CB 3.3Å; L345-K349 WeakPolarHBondContact O-CG 3.45Å; L345-K349 PolarHBondContact O-N 3.19Å; Y347-K349 PolarHBondContact O-N 3.33Å; K349-R353 WeakPolarHBondContact O-CB 3.35Å; K349-R353 PolarHBondContact O-N 3.27Å; K349-R353 VanDerWaalsContact O-N 3.13Å; K349-L365 HydrophobicContact CG-CD1 4.24Å
350	N	97.5	Very high	96.9	Very high	49 Å²	49	57.2 Å²	57.2	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-71.2	-44.2	173.4	-76.2	-18.3	0	0	0	112.2	K346 Y347 T348 R353 K354 I382	K346-N350 WeakPolarHBondContact O-CB 3.34Å; K346-N350 VanDerWaalsContact O-CG 3.27Å; K346-N350 PolarHBondContact O-N 2.88Å; K346-N350 PolarHBondContact O-ND2 3.23Å; Y347-N350 WeakPolarHBondContact O-CB 3.38Å; Y347-N350 PolarHBondContact O-N 3.32Å; Y347-N350 VanDerWaalsContact O-N 3.12Å; T348-N350 VanDerWaalsContact C-N 3.34Å; T348-N350 PolarHBondContact O-N 3.07Å; N350-R353 PolarHBondContact O-N 2.58Å; N350-R353 PolarHBondContact OD1-NH1 2.96Å; N350-R353 PolarHBondContact OD1-NH2 3.03Å; N350-K354 PolarHBondContact O-N 3.4Å; N350-K354 VanDerWaalsContact O-N 3.1Å; N350-I382 HydrophobicContact CB-CD1 4.33Å
351	L	98.1	Very high	96.7	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-51.9	172.5	175.7	69.8	0	0	0	111.1	V258 L262 Y347 T348 R353 K354 V355 L377 Q380 I382 F391	V258-L351 HydrophobicContact CB-CD2 4.36Å; V258-L351 HydrophobicContact CG1-CD2 3.5Å; V258-L351 VanDerWaalsContact CG1-CD2 3.5Å; V258-L351 HydrophobicContact CG2-CD2 3.86Å; L262-L351 HydrophobicContact CD1-CD2 3.82Å; Y347-L351 PolarHBondContact O-N 3.08Å; T348-L351 PolarHBondContact O-N 3.24Å; L351-R353 PolarHBondContact O-N 3.4Å; L351-K354 PolarHBondContact O-N 3.12Å; L351-V355 HydrophobicContact CD1-CG1 4.21Å; L351-V355 PolarHBondContact O-N 3.44Å; L351-L377 WeakPolarHBondContact CD1-O 3.27Å; L351-L377 HydrophobicContact CD2-CD2 4.44Å; L351-Q380 HydrophobicContact CD1-CB 3.68Å; L351-Q380 HydrophobicContact CD1-CG 3.71Å; L351-I382 HydrophobicContact CB-CD1 4.16Å; L351-I382 HydrophobicContact CB-CG1 4.36Å; L351-I382 HydrophobicContact CD1-CG1 4.31Å; L351-F391 HydrophobicContact CB-CZ 4.09Å; L351-F391 HydrophobicContact CD2-CZ 4.06Å
352	A	98.1	Very high	96.7	Very high	2 Å²	2	63.6 Å²	63.6	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-55.1	-38.2	179.1	0	0	0	0	0	112	T348 G356 C357 L365	T348-A352 VanDerWaalsContact O-CB 3.27Å; T348-A352 WeakPolarHBondContact O-CB 3.25Å; T348-A352 PolarHBondContact O-N 3.4Å; A352-G356 PolarHBondContact O-N 3.22Å; A352-G356 VanDerWaalsContact O-N 3.08Å; A352-C357 HydrophobicContact CB-CB 4.18Å; A352-C357 PolarHBondContact O-N 3.41Å; A352-L365 HydrophobicContact CB-CD1 3.85Å; A352-L365 HydrophobicContact CB-CD2 4.03Å; A352-L365 HydrophobicContact CB-CG 3.89Å
353	R	97.6	Very high	96.7	Very high	148 Å²	148	60.1 Å²	60.1	56%	0.558	32%	0.316	S	S	*	.	H	α-helix	trans	-66.2	-43.3	173.4	-162.4	-170.7	-48.9	103.7	7	112.9	K349 N350 L351 V355 T358	K349-R353 WeakPolarHBondContact O-CB 3.35Å; K349-R353 PolarHBondContact O-N 3.27Å; K349-R353 VanDerWaalsContact O-N 3.13Å; N350-R353 PolarHBondContact O-N 2.58Å; N350-R353 PolarHBondContact OD1-NH1 2.96Å; N350-R353 PolarHBondContact OD1-NH2 3.03Å; L351-R353 PolarHBondContact O-N 3.4Å; R353-V355 VanDerWaalsContact C-N 3.33Å; R353-V355 PolarHBondContact O-N 2.78Å; R353-T358 HydrophobicContact CG-CG2 4.27Å
354	K	97.6	Very high	96.7	Very high	103 Å²	103	59.2 Å²	59.2	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-35.8	177.6	-78.8	-160	174.9	-171.4	0	112.4	N350 L351 D381 I382	N350-K354 PolarHBondContact O-N 3.4Å; N350-K354 VanDerWaalsContact O-N 3.1Å; L351-K354 PolarHBondContact O-N 3.12Å; K354-D381 VanDerWaalsContact CE-O 3.31Å; K354-D381 WeakPolarHBondContact CE-O 3.15Å; K354-D381 PolarHBondContact NZ-O 3.29Å; K354-D381 IonicContact NZ-OD2 3.66Å; K354-D381 PolarHBondContact NZ-OD2 3.09Å; K354-I382 HydrophobicContact CD-CD1 4.06Å; K354-I382 HydrophobicContact CG-CD1 4.49Å
355	V	98	Very high	96.7	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.079	31%	0.309	C	S	.	.	H	α-helix	trans	-94.1	-1.8	-178.1	-50.8	0	0	0	0	115.1	L351 R353 C357 L369 K372 E376 L377 Q380	L351-V355 HydrophobicContact CD1-CG1 4.21Å; L351-V355 PolarHBondContact O-N 3.44Å; R353-V355 VanDerWaalsContact C-N 3.33Å; R353-V355 PolarHBondContact O-N 2.78Å; V355-C357 HydrophobicContact CG2-CB 4.31Å; V355-L369 HydrophobicContact CG2-CD2 3.48Å; V355-L369 VanDerWaalsContact CG2-CD2 3.48Å; V355-K372 HydrophobicContact CB-CD 4.32Å; V355-K372 HydrophobicContact CG2-CG 4.39Å; V355-K372 WeakPolarHBondContact O-CE 3.48Å; V355-K372 PolarHBondContact O-NZ 3.34Å; V355-E376 WeakPolarHBondContact CG1-O 3.17Å; V355-L377 HydrophobicContact CG1-CD2 4.34Å; V355-L377 HydrophobicContact CG2-CD2 4.31Å; V355-Q380 HydrophobicContact CG1-CG 3.81Å
356	G	97.7	Very high	96.7	Very high	53 Å²	53	55.7 Å²	55.7	55%	0.546	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	14.3	176.4	0	0	0	0	0	116.1	A352 T358	A352-G356 PolarHBondContact O-N 3.22Å; A352-G356 VanDerWaalsContact O-N 3.08Å; G356-T358 VanDerWaalsContact C-N 3.32Å; G356-T358 PolarHBondContact O-N 2.73Å
357	C	97.6	Very high	96.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.			trans	-90.5	53.1	176.8	-68	0	0	0	0	112.4	A352 V355 Y359 C368 L369	A352-C357 HydrophobicContact CB-CB 4.18Å; A352-C357 PolarHBondContact O-N 3.41Å; V355-C357 HydrophobicContact CG2-CB 4.31Å; C357-Y359 PolarHBondContact O-N 2.95Å; C357-C368 WeakPolarHBondContact CA-SG 3.12Å; C357-C368 HydrophobicContact CB-CB 3.61Å; C357-C368 WeakPolarHBondContact CB-SG 3.46Å; C357-C368 WeakPolarHBondContact SG-CB 3.42Å; C357-C368 CovalentContact SG-SG 2.04Å; C357-C368 PolarHBondContact SG-SG 2.69Å; C357-L369 HydrophobicContact CB-CD2 4.05Å; C357-L369 HydrophobicContact CB-CG 4.36Å
358	T	91.3	Very high	96.7	Very high	105 Å²	105	55.5 Å²	55.5	64%	0.644	30%	0.3	S	S	*	.			trans	-84.4	75.7	-175.6	55.4	0	0	0	0	112.6	R353 G356	R353-T358 HydrophobicContact CG-CG2 4.27Å; G356-T358 VanDerWaalsContact C-N 3.32Å; G356-T358 PolarHBondContact O-N 2.73Å
359	Y	91.9	Very high	96.7	Very high	120 Å²	120	55.5 Å²	55.5	47%	0.471	30%	0.3	S	S	.	.			trans	-104.5	153.2	174.5	-65.3	-94.4	0	0	0	111.5	C357 D364 C368	C357-Y359 PolarHBondContact O-N 2.95Å; Y359-D364 HydrophobicContact CD1-CB 3.59Å; Y359-D364 HydrophobicContact CE1-CB 4.28Å; Y359-D364 HydrophobicContact CG-CB 3.75Å; Y359-C368 HydrophobicContact CD2-CB 4.12Å; Y359-C368 HydrophobicContact CE2-CB 3.67Å
360	S	90.1	Very high	96.7	Very high	109 Å²	109	53 Å²	53	76%	0.762	29%	0.288	S	S	*	.	S	Bend	trans	-76.4	-48	174.7	-59.3	0	0	0	0	111.5
361	E	95.6	Very high	96.8	Very high	126 Å²	126	60.6 Å²	60.6	59%	0.589	31%	0.313	S	S	*	.	S	Bend	trans	-77	139	178.5	-56.6	-49.2	130.3	0	0	110.8	L365	E361-L365 WeakPolarHBondContact O-CB 3.4Å; E361-L365 PolarHBondContact O-N 2.84Å
362	T	96.6	Very high	96.8	Very high	19 Å²	19	62.8 Å²	62.8	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-73.3	-28.2	-176.7	46.8	0	0	0	0	112.8	T264 D266 S268 L345 L365 V366	T264-T362 HydrophobicContact CG2-CG2 4.02Å; D266-T362 PolarHBondContact OD1-OG1 2.77Å; D266-T362 VanDerWaalsContact OD2-CB 3.26Å; D266-T362 WeakPolarHBondContact OD2-CB 3.25Å; D266-T362 VanDerWaalsContact OD2-CG2 3.25Å; D266-T362 WeakPolarHBondContact OD2-CG2 3.38Å; D266-T362 PolarHBondContact OD2-OG1 2.98Å; S268-T362 PolarHBondContact OG-OG1 3.09Å; L345-T362 HydrophobicContact CD1-CG2 4.33Å; T362-L365 PolarHBondContact O-N 2.92Å; T362-V366 VanDerWaalsContact O-CG2 3.28Å; T362-V366 WeakPolarHBondContact O-CG2 3.5Å; T362-V366 PolarHBondContact O-N 2.87Å
363	A	97.1	Very high	96.8	Very high	53 Å²	53	66.3 Å²	66.3	44%	0.438	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-54	174.4	0	0	0	0	0	111.8	S268 L365 V366 D367	S268-A363 PolarHBondContact OG-N 3.04Å; A363-L365 VanDerWaalsContact C-N 3.26Å; A363-L365 PolarHBondContact O-N 3.16Å; A363-V366 PolarHBondContact O-N 3.43Å; A363-D367 PolarHBondContact O-N 3.04Å
364	D	97.8	Very high	96.8	Very high	85 Å²	85	62 Å²	62	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-37.7	176.8	-70.3	-29.7	0	0	0	112.1	Y359 C368	Y359-D364 HydrophobicContact CD1-CB 3.59Å; Y359-D364 HydrophobicContact CE1-CB 4.28Å; Y359-D364 HydrophobicContact CG-CB 3.75Å; D364-C368 WeakPolarHBondContact O-CB 3.32Å; D364-C368 PolarHBondContact O-N 2.88Å
365	L	98	Very high	96.7	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-60.7	-50.7	175.2	-176.1	155.8	0	0	0	111	T348 K349 A352 E361 T362 A363 C368 L369	T348-L365 HydrophobicContact CG2-CD2 3.95Å; K349-L365 HydrophobicContact CG-CD1 4.24Å; A352-L365 HydrophobicContact CB-CD1 3.85Å; A352-L365 HydrophobicContact CB-CD2 4.03Å; A352-L365 HydrophobicContact CB-CG 3.89Å; E361-L365 WeakPolarHBondContact O-CB 3.4Å; E361-L365 PolarHBondContact O-N 2.84Å; T362-L365 PolarHBondContact O-N 2.92Å; A363-L365 VanDerWaalsContact C-N 3.26Å; A363-L365 PolarHBondContact O-N 3.16Å; L365-C368 WeakPolarHBondContact O-CB 3.3Å; L365-C368 PolarHBondContact O-N 2.75Å; L365-L369 HydrophobicContact CD2-CD1 3.68Å; L365-L369 HydrophobicContact CD2-CG 4.35Å; L365-L369 WeakPolarHBondContact O-CG 3.29Å; L365-L369 PolarHBondContact O-N 3.44Å
366	V	98.1	Very high	96.7	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-39.2	-179.5	176.5	0	0	0	0	111	F123 L262 T264 A269 T362 A363 C368 L369 R370	F123-V366 HydrophobicContact CB-CG1 4.41Å; F123-V366 HydrophobicContact CD2-CG1 3.9Å; L262-V366 HydrophobicContact CD2-CG2 4.48Å; T264-V366 HydrophobicContact CG2-CG2 3.71Å; A269-V366 HydrophobicContact CB-CG1 4.23Å; A269-V366 HydrophobicContact CB-CG2 3.78Å; T362-V366 VanDerWaalsContact O-CG2 3.28Å; T362-V366 WeakPolarHBondContact O-CG2 3.5Å; T362-V366 PolarHBondContact O-N 2.87Å; A363-V366 PolarHBondContact O-N 3.43Å; V366-C368 VanDerWaalsContact C-N 3.32Å; V366-C368 PolarHBondContact O-N 3.39Å; V366-L369 CarbonylContact O-C 3.58Å; V366-L369 WeakPolarHBondContact O-CA 3.47Å; V366-L369 WeakPolarHBondContact O-CB 3.36Å; V366-L369 PolarHBondContact O-N 2.96Å; V366-R370 WeakPolarHBondContact O-CG 3.27Å; V366-R370 PolarHBondContact O-N 3.48Å
367	D	98	Very high	96.7	Very high	66 Å²	66	64.8 Å²	64.8	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-31.4	175.9	-88.8	7.9	0	0	0	113.2	A363 R370 R371	A363-D367 PolarHBondContact O-N 3.04Å; D367-R370 IonicContact OD1-CZ 2.72Å; D367-R370 IonicContact OD1-NH1 3.95Å; D367-R370 PolarHBondContact OD1-NH1 3.43Å; D367-R371 WeakPolarHBondContact O-CG 3.35Å; D367-R371 PolarHBondContact O-N 2.89Å; D367-R371 PolarHBondContact O-NE 2.82Å
368	C	98.4	Very high	96.7	Very high	24 Å²	24	65.8 Å²	65.8	16%	0.162	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-42.3	167.6	179.9	0	0	0	0	111.6	C357 Y359 D364 L365 V366 R370 R371 K372	C357-C368 WeakPolarHBondContact CA-SG 3.12Å; C357-C368 HydrophobicContact CB-CB 3.61Å; C357-C368 WeakPolarHBondContact CB-SG 3.46Å; C357-C368 WeakPolarHBondContact SG-CB 3.42Å; C357-C368 CovalentContact SG-SG 2.04Å; C357-C368 PolarHBondContact SG-SG 2.69Å; Y359-C368 HydrophobicContact CD2-CB 4.12Å; Y359-C368 HydrophobicContact CE2-CB 3.67Å; D364-C368 WeakPolarHBondContact O-CB 3.32Å; D364-C368 PolarHBondContact O-N 2.88Å; L365-C368 WeakPolarHBondContact O-CB 3.3Å; L365-C368 PolarHBondContact O-N 2.75Å; V366-C368 VanDerWaalsContact C-N 3.32Å; V366-C368 PolarHBondContact O-N 3.39Å; C368-R370 PolarHBondContact O-N 2.56Å; C368-R371 PolarHBondContact O-N 3.38Å; C368-K372 PolarHBondContact O-N 2.76Å
369	L	98.4	Very high	96.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-31.1	176.5	-64.1	177.3	0	0	0	113.1	R122 F123 L262 V355 C357 L365 V366 R371 K372 L377	R122-L369 PolarHBondContact NH1-O 3.22Å; F123-L369 HydrophobicContact CE2-CB 3.82Å; F123-L369 HydrophobicContact CZ-CB 4.29Å; L262-L369 HydrophobicContact CD1-CD1 3.6Å; V355-L369 HydrophobicContact CG2-CD2 3.48Å; V355-L369 VanDerWaalsContact CG2-CD2 3.48Å; C357-L369 HydrophobicContact CB-CD2 4.05Å; C357-L369 HydrophobicContact CB-CG 4.36Å; L365-L369 HydrophobicContact CD2-CD1 3.68Å; L365-L369 HydrophobicContact CD2-CG 4.35Å; L365-L369 WeakPolarHBondContact O-CG 3.29Å; L365-L369 PolarHBondContact O-N 3.44Å; V366-L369 CarbonylContact O-C 3.58Å; V366-L369 WeakPolarHBondContact O-CA 3.47Å; V366-L369 WeakPolarHBondContact O-CB 3.36Å; V366-L369 PolarHBondContact O-N 2.96Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 3.06Å; L369-K372 PolarHBondContact O-N 2.85Å; L369-L377 HydrophobicContact CD2-CD2 3.71Å
370	R	98.3	Very high	97	Very high	34 Å²	34	60.9 Å²	60.9	13%	0.128	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-32.7	171.5	-73	-178.6	178.5	113.5	7.3	112.3	R122 F123 V366 D367 C368 K372	R122-R370 PolarHBondContact NH1-O 3.39Å; R122-R370 PolarHBondContact O-NE 3.11Å; F123-R370 HydrophobicContact CD2-CG 3.84Å; F123-R370 HydrophobicContact CE2-CG 4.22Å; F123-R370 PolarHBondContact O-NH2 3.07Å; V366-R370 WeakPolarHBondContact O-CG 3.27Å; V366-R370 PolarHBondContact O-N 3.48Å; D367-R370 IonicContact OD1-CZ 2.72Å; D367-R370 IonicContact OD1-NH1 3.95Å; D367-R370 PolarHBondContact OD1-NH1 3.43Å; C368-R370 PolarHBondContact O-N 2.56Å; R370-K372 VanDerWaalsContact C-N 3.35Å
371	R	97.7	Very high	97.1	Very high	209 Å²	209	59.7 Å²	59.7	79%	0.789	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-9.8	-179.7	-65.1	169.5	-162.2	-151.9	3.7	114.4	D367 C368 L369	D367-R371 WeakPolarHBondContact O-CG 3.35Å; D367-R371 PolarHBondContact O-N 2.89Å; D367-R371 PolarHBondContact O-NE 2.82Å; C368-R371 PolarHBondContact O-N 3.38Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 3.06Å
372	K	98.3	Very high	97.1	Very high	45 Å²	45	54.8 Å²	54.8	20%	0.196	27%	0.268	C	S	.	.	S	Bend	trans	-72.9	153.4	175.4	-70.7	-73.7	174.8	179.4	0	111.7	R122 V355 C368 L369 R370 E376 L377	R122-K372 PolarHBondContact NH1-O 2.92Å; R122-K372 PolarHBondContact NH2-O 3.28Å; V355-K372 HydrophobicContact CB-CD 4.32Å; V355-K372 HydrophobicContact CG2-CG 4.39Å; V355-K372 WeakPolarHBondContact O-CE 3.48Å; V355-K372 PolarHBondContact O-NZ 3.34Å; C368-K372 PolarHBondContact O-N 2.76Å; L369-K372 PolarHBondContact O-N 2.85Å; R370-K372 VanDerWaalsContact C-N 3.35Å; K372-E376 HydrophobicContact CB-CB 4.42Å; K372-E376 HydrophobicContact CD-CB 4.11Å; K372-E376 VanDerWaalsContact CD-CD 3.44Å; K372-E376 HydrophobicContact CD-CG 4.4Å; K372-E376 WeakPolarHBondContact CD-OE1 3.3Å; K372-E376 WeakPolarHBondContact CE-OE1 3.42Å; K372-E376 IonicContact NZ-OE1 2.78Å; K372-E376 PolarHBondContact NZ-OE1 2.73Å; K372-L377 HydrophobicContact CB-CD1 4.26Å; K372-L377 HydrophobicContact CB-CD2 3.83Å; K372-L377 HydrophobicContact CB-CG 3.9Å; K372-L377 HydrophobicContact CG-CD2 4.05Å
373	T	98.2	Very high	96.8	Very high	77 Å²	77	58.8 Å²	58.8	47%	0.472	29%	0.285	S	S	.	.			trans	-65.8	148.5	161.6	60.4	0	0	0	0	109.3	R375 E376	T373-R375 PolarHBondContact O-N 2.94Å; T373-E376 PolarHBondContact N-OE2 3.49Å; T373-E376 PolarHBondContact O-N 3.06Å; T373-E376 WeakPolarHBondContact OG1-CB 3.36Å; T373-E376 VanDerWaalsContact OG1-CG 3.25Å; T373-E376 WeakPolarHBondContact OG1-CG 3.43Å; T373-E376 PolarHBondContact OG1-N 3.33Å; T373-E376 PolarHBondContact OG1-OE2 3.02Å
374	F	97.5	Very high	96.5	Very high	58 Å²	58	58.5 Å²	58.5	25%	0.254	28%	0.279	S	S	.	.	H	α-helix	trans	-56.2	-34.1	174.9	64.3	-98.3	0	0	0	112	P146 E178 L259 L377 V378	P146-F374 HydrophobicContact CB-CB 4.39Å; P146-F374 HydrophobicContact CB-CD2 3.45Å; P146-F374 VanDerWaalsContact CB-CD2 3.45Å; P146-F374 HydrophobicContact CB-CE2 3.89Å; P146-F374 HydrophobicContact CB-CG 4.1Å; P146-F374 HydrophobicContact CG-CB 4.29Å; P146-F374 HydrophobicContact CG-CD2 3.79Å; P146-F374 HydrophobicContact CG-CE2 4.2Å; P146-F374 HydrophobicContact CG-CG 3.99Å; E178-F374 HydrophobicContact CG-CB 3.76Å; E178-F374 HydrophobicContact CG-CD1 3.79Å; E178-F374 HydrophobicContact CG-CG 4.04Å; E178-F374 WeakPolarHBondContact OE1-CD1 3.03Å; L259-F374 HydrophobicContact CD1-CB 4.1Å; F374-L377 WeakPolarHBondContact O-CB 3.46Å; F374-L377 PolarHBondContact O-N 2.9Å; F374-V378 WeakPolarHBondContact O-CB 3.5Å; F374-V378 WeakPolarHBondContact O-CG2 3.37Å; F374-V378 PolarHBondContact O-N 2.82Å
375	R	96.5	Very high	96.2	Very high	152 Å²	152	56.4 Å²	56.4	57%	0.574	27%	0.273	S	S	*	.	H	α-helix	trans	-68.4	-38.2	-178.2	-164.3	167.9	-171.3	124.4	24.2	112.9	T373 L377 D379	T373-R375 PolarHBondContact O-N 2.94Å; R375-L377 PolarHBondContact O-N 3Å; R375-D379 VanDerWaalsContact CG-OD2 3.25Å; R375-D379 WeakPolarHBondContact CG-OD2 3.37Å; R375-D379 IonicContact CZ-OD2 3.92Å; R375-D379 IonicContact NE-OD1 3.09Å; R375-D379 IonicContact NE-OD2 2.78Å; R375-D379 PolarHBondContact NE-OD2 3.35Å; R375-D379 IonicContact NH2-OD1 3.37Å; R375-D379 IonicContact NH2-OD2 2.91Å; R375-D379 PolarHBondContact NH2-OD2 2.71Å; R375-D379 VanDerWaalsContact NH2-OD2 3.09Å; R375-D379 WeakPolarHBondContact O-CB 3.31Å; R375-D379 PolarHBondContact O-N 3.08Å; R375-D379 VanDerWaalsContact O-N 3.08Å
376	E	97.4	Very high	95.9	Very high	74 Å²	74	61.2 Å²	61.2	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-25	170.1	-80.7	169	97.9	0	0	113.2	V355 K372 T373 Q380	V355-E376 WeakPolarHBondContact CG1-O 3.17Å; K372-E376 HydrophobicContact CB-CB 4.42Å; K372-E376 HydrophobicContact CD-CB 4.11Å; K372-E376 VanDerWaalsContact CD-CD 3.44Å; K372-E376 HydrophobicContact CD-CG 4.4Å; K372-E376 WeakPolarHBondContact CD-OE1 3.3Å; K372-E376 WeakPolarHBondContact CE-OE1 3.42Å; K372-E376 IonicContact NZ-OE1 2.78Å; K372-E376 PolarHBondContact NZ-OE1 2.73Å; T373-E376 PolarHBondContact N-OE2 3.49Å; T373-E376 PolarHBondContact O-N 3.06Å; T373-E376 WeakPolarHBondContact OG1-CB 3.36Å; T373-E376 VanDerWaalsContact OG1-CG 3.25Å; T373-E376 WeakPolarHBondContact OG1-CG 3.43Å; T373-E376 PolarHBondContact OG1-N 3.33Å; T373-E376 PolarHBondContact OG1-OE2 3.02Å; E376-Q380 WeakPolarHBondContact O-CG 3.44Å; E376-Q380 PolarHBondContact O-NE2 3.43Å
377	L	98.1	Very high	95.7	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-91.2	-44	-179.6	-59.3	176.4	0	0	0	112.7	F123 V258 L259 L351 V355 L369 K372 F374 R375 Q380	F123-L377 HydrophobicContact CZ-CD1 4.11Å; V258-L377 HydrophobicContact CG1-CB 4.21Å; V258-L377 HydrophobicContact CG1-CD1 4.48Å; L259-L377 HydrophobicContact CD2-CD1 4.23Å; L351-L377 WeakPolarHBondContact CD1-O 3.27Å; L351-L377 HydrophobicContact CD2-CD2 4.44Å; V355-L377 HydrophobicContact CG1-CD2 4.34Å; V355-L377 HydrophobicContact CG2-CD2 4.31Å; L369-L377 HydrophobicContact CD2-CD2 3.71Å; K372-L377 HydrophobicContact CB-CD1 4.26Å; K372-L377 HydrophobicContact CB-CD2 3.83Å; K372-L377 HydrophobicContact CB-CG 3.9Å; K372-L377 HydrophobicContact CG-CD2 4.05Å; F374-L377 WeakPolarHBondContact O-CB 3.46Å; F374-L377 PolarHBondContact O-N 2.9Å; R375-L377 PolarHBondContact O-N 3Å; L377-Q380 WeakPolarHBondContact O-CB 3.36Å; L377-Q380 WeakPolarHBondContact O-CG 3.35Å
378	V	96.8	Very high	95.5	Very high	21 Å²	21	60.7 Å²	60.7	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-83.3	-32	-171.7	171.6	0	0	0	0	112.7	P146 N148 L259 F374 Q380	P146-V378 HydrophobicContact CB-CG2 4.32Å; N148-V378 HydrophobicContact CB-CG1 4.15Å; L259-V378 HydrophobicContact CD1-CG2 4.32Å; L259-V378 HydrophobicContact CG-CG2 4.48Å; F374-V378 WeakPolarHBondContact O-CB 3.5Å; F374-V378 WeakPolarHBondContact O-CG2 3.37Å; F374-V378 PolarHBondContact O-N 2.82Å; V378-Q380 PolarHBondContact O-N 2.84Å; V378-Q380 VanDerWaalsContact O-N 3.07Å
379	D	95.4	Very high	95.4	Very high	64 Å²	64	60 Å²	60	34%	0.342	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	9	176.4	-66.2	11.8	0	0	0	112.1	R375	R375-D379 VanDerWaalsContact CG-OD2 3.25Å; R375-D379 WeakPolarHBondContact CG-OD2 3.37Å; R375-D379 IonicContact CZ-OD2 3.92Å; R375-D379 IonicContact NE-OD1 3.09Å; R375-D379 IonicContact NE-OD2 2.78Å; R375-D379 PolarHBondContact NE-OD2 3.35Å; R375-D379 IonicContact NH2-OD1 3.37Å; R375-D379 IonicContact NH2-OD2 2.91Å; R375-D379 PolarHBondContact NH2-OD2 2.71Å; R375-D379 VanDerWaalsContact NH2-OD2 3.09Å; R375-D379 WeakPolarHBondContact O-CB 3.31Å; R375-D379 PolarHBondContact O-N 3.08Å; R375-D379 VanDerWaalsContact O-N 3.08Å
380	Q	95.4	Very high	95.3	Very high	57 Å²	57	60.4 Å²	60.4	27%	0.266	28%	0.284	S	S	.	.			trans	-89.2	113.4	179.4	-59.1	-61.6	-27.7	0	0	112.2	L351 V355 E376 L377 V378 I382	L351-Q380 HydrophobicContact CD1-CB 3.68Å; L351-Q380 HydrophobicContact CD1-CG 3.71Å; V355-Q380 HydrophobicContact CG1-CG 3.81Å; E376-Q380 WeakPolarHBondContact O-CG 3.44Å; E376-Q380 PolarHBondContact O-NE2 3.43Å; L377-Q380 WeakPolarHBondContact O-CB 3.36Å; L377-Q380 WeakPolarHBondContact O-CG 3.35Å; V378-Q380 PolarHBondContact O-N 2.84Å; V378-Q380 VanDerWaalsContact O-N 3.07Å; Q380-I382 HydrophobicContact CB-CG1 4.26Å; Q380-I382 PolarHBondContact O-N 2.75Å; Q380-I382 VanDerWaalsContact O-N 3.1Å
381	D	92.6	Very high	95.3	Very high	85 Å²	85	58.9 Å²	58.9	46%	0.455	28%	0.278	S	S	.	.			trans	-55.4	110.1	164.7	157.1	62.4	0	0	0	111	K354 Q383	K354-D381 VanDerWaalsContact CE-O 3.31Å; K354-D381 WeakPolarHBondContact CE-O 3.15Å; K354-D381 PolarHBondContact NZ-O 3.29Å; K354-D381 IonicContact NZ-OD2 3.66Å; K354-D381 PolarHBondContact NZ-OD2 3.09Å; D381-Q383 WeakPolarHBondContact OD1-CG 3.29Å; D381-Q383 PolarHBondContact OD1-NE2 3.31Å
382	I	93.8	Very high	95.3	Very high	23 Å²	23	49 Å²	49	12%	0.118	24%	0.241	C	C	.	.			trans	-130.3	82.6	175.8	-58.3	-68.1	0	0	0	108.2	Y347 N350 L351 K354 Q380 A390 F391	Y347-I382 HydrophobicContact CD1-CG2 4.05Å; N350-I382 HydrophobicContact CB-CD1 4.33Å; L351-I382 HydrophobicContact CB-CD1 4.16Å; L351-I382 HydrophobicContact CB-CG1 4.36Å; L351-I382 HydrophobicContact CD1-CG1 4.31Å; K354-I382 HydrophobicContact CD-CD1 4.06Å; K354-I382 HydrophobicContact CG-CD1 4.49Å; Q380-I382 HydrophobicContact CB-CG1 4.26Å; Q380-I382 PolarHBondContact O-N 2.75Å; Q380-I382 VanDerWaalsContact O-N 3.1Å; I382-A390 HydrophobicContact CG2-CB 4.14Å; I382-A390 WeakPolarHBondContact O-CB 3.45Å; I382-F391 HydrophobicContact CB-CE2 4.07Å; I382-F391 HydrophobicContact CG1-CE2 4.24Å; I382-F391 HydrophobicContact CG2-CE2 3.92Å; I382-F391 HydrophobicContact CG2-CZ 4.36Å
383	Q	90.6	Very high	95.3	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.481	23%	0.231	S	C	.	.			trans	-64.8	128.2	-179.6	-63.3	-55.3	-44.6	0	0	112.2	D381	D381-Q383 WeakPolarHBondContact OD1-CG 3.29Å; D381-Q383 PolarHBondContact OD1-NE2 3.31Å
384	P	92.3	Very high	95.4	Very high	47 Å²	47	43.2 Å²	43.2	31%	0.305	21%	0.209	S	C	.	.			trans	-77.6	-177.7	168.7	33.2	-33.7	0	0	0	111.8	Y347 H388 A390	Y347-P384 HydrophobicContact CE1-CB 4.41Å; P384-H388 VanDerWaalsContact CB-O 3.31Å; P384-H388 WeakPolarHBondContact CB-O 3.26Å; P384-H388 WeakPolarHBondContact CG-O 3.5Å; P384-A390 HydrophobicContact CB-CB 4.09Å; P384-A390 HydrophobicContact CG-CB 4.49Å
385	A	91.2	Very high	95.4	Very high	40 Å²	40	43.1 Å²	43.1	33%	0.331	21%	0.213	S	C	.	.	S	Bend	trans	-65.8	149.6	156.9	0	0	0	0	0	109.5	Y347 Y387 H388	Y347-A385 PolarHBondContact OH-N 3Å; A385-Y387 PolarHBondContact O-N 3.49Å; A385-H388 HydrophobicContact CB-CB 4.35Å; A385-H388 WeakPolarHBondContact O-CB 3.48Å; A385-H388 PolarHBondContact O-N 3.21Å; A385-H388 VanDerWaalsContact O-N 3.12Å
386	R	90.2	Very high	95.5	Very high	105 Å²	105	37.4 Å²	37.4	40%	0.396	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	142.5	179.5	-160.1	178.5	178.4	172.1	-0.5	109.9	H388 N455	R386-H388 PolarHBondContact O-N 2.8Å; R386-H388 PolarHBondContact O-ND1 3.38Å; R386-N455 HydrophobicContact CB-CB 4.09Å; R386-N455 VanDerWaalsContact CB-OD1 3.27Å; R386-N455 WeakPolarHBondContact CB-OD1 3.31Å
387	Y	93.8	Very high	95.4	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.012	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	10.7	-175.8	-33.3	-62.9	0	0	0	115.9	I156 S337 A385 F430 F452 N455 L456 F494	I156-Y387 HydrophobicContact CD1-CD1 3.55Å; I156-Y387 HydrophobicContact CD1-CE1 3.68Å; S337-Y387 CarbonylContact C-O 3.46Å; S337-Y387 PolarHBondContact OG-O 3.27Å; A385-Y387 PolarHBondContact O-N 3.49Å; Y387-F430 HydrophobicContact CE1-CD2 4.45Å; Y387-F430 HydrophobicContact CE1-CE2 4.31Å; Y387-F452 HydrophobicContact CE2-CD2 4.41Å; Y387-N455 HydrophobicContact CD2-CB 3.8Å; Y387-N455 HydrophobicContact CE2-CB 3.64Å; Y387-L456 HydrophobicContact CD2-CD1 4.39Å; Y387-L456 HydrophobicContact CD2-CD2 4.06Å; Y387-L456 HydrophobicContact CD2-CG 3.79Å; Y387-L456 HydrophobicContact CE2-CG 4.48Å; Y387-L456 HydrophobicContact CG-CD2 4.32Å; Y387-L456 HydrophobicContact CG-CG 4.48Å; Y387-F494 AromaticContact CD1-CE2 3.44Å; Y387-F494 HydrophobicContact CD1-CE2 3.44Å; Y387-F494 VanDerWaalsContact CD1-CE2 3.44Å; Y387-F494 AromaticContact CD1-CZ 3.61Å; Y387-F494 HydrophobicContact CD1-CZ 3.61Å; Y387-F494 HydrophobicContact CE1-CD2 4.43Å; Y387-F494 AromaticContact CE1-CE2 3.39Å; Y387-F494 HydrophobicContact CE1-CE2 3.39Å; Y387-F494 AromaticContact CE1-CZ 3.79Å; Y387-F494 HydrophobicContact CE1-CZ 3.79Å; Y387-F494 HydrophobicContact CG-CE2 4.26Å
388	H	95.1	Very high	95.4	Very high	52 Å²	52	38.6 Å²	38.6	24%	0.241	22%	0.217	C	C	.	.	S	Bend	trans	-123.5	167.4	175.5	-59.8	82.2	0	0	0	110.2	S337 P384 A385 R386 N455	S337-H388 PolarHBondContact O-CD2 3Å; P384-H388 VanDerWaalsContact CB-O 3.31Å; P384-H388 WeakPolarHBondContact CB-O 3.26Å; P384-H388 WeakPolarHBondContact CG-O 3.5Å; A385-H388 HydrophobicContact CB-CB 4.35Å; A385-H388 WeakPolarHBondContact O-CB 3.48Å; A385-H388 PolarHBondContact O-N 3.21Å; A385-H388 VanDerWaalsContact O-N 3.12Å; R386-H388 PolarHBondContact O-N 2.8Å; R386-H388 PolarHBondContact O-ND1 3.38Å; H388-N455 PolarHBondContact CE1-O 3.22Å
389	I	95.9	Very high	95.4	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.051	21%	0.212	C	C	.	.			trans	-105.5	153	-179.8	48.1	159.7	0	0	0	112.8	M157 Y228 W338 N341	M157-I389 HydrophobicContact SD-CG2 4.4Å; Y228-I389 HydrophobicContact CD2-CD1 4.01Å; Y228-I389 HydrophobicContact CD2-CG2 4.34Å; Y228-I389 HydrophobicContact CE2-CD1 3.88Å; W338-I389 HydrophobicContact CB-CG2 4.11Å; W338-I389 WeakPolarHBondContact O-CD1 3.31Å; W338-I389 WeakPolarHBondContact O-CG1 3.32Å; W338-I389 VanDerWaalsContact O-CG2 3.3Å; W338-I389 WeakPolarHBondContact O-CG2 3.34Å; N341-I389 HydrophobicContact CB-CD1 3.89Å; N341-I389 HydrophobicContact CB-CG1 4.09Å
390	A	96.2	Very high	95.5	Very high	8 Å²	8	35 Å²	35	7%	0.066	20%	0.197	C	C	.	.	S	Bend	trans	-95.9	-38.3	176.5	0	0	0	0	0	112.7	N341 Y347 I382 P384	N341-A390 PolarHBondContact ND2-O 3.22Å; Y347-A390 WeakPolarHBondContact CB-O 3.33Å; Y347-A390 HydrophobicContact CD1-CB 4.05Å; Y347-A390 HydrophobicContact CD2-CB 4.38Å; Y347-A390 WeakPolarHBondContact CD2-O 3.45Å; Y347-A390 HydrophobicContact CE1-CB 4.46Å; Y347-A390 HydrophobicContact CG-CB 4.02Å; I382-A390 HydrophobicContact CG2-CB 4.14Å; I382-A390 WeakPolarHBondContact O-CB 3.45Å; P384-A390 HydrophobicContact CB-CB 4.09Å; P384-A390 HydrophobicContact CG-CB 4.49Å
391	F	98.2	Very high	95.5	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	20%	0.2	C	C	.	.	S	Bend	trans	-138.1	120.5	174	-58.7	-76.2	0	0	0	108.4	M229 V258 F261 L262 L351 I382	M229-F391 HydrophobicContact SD-CB 4.02Å; M229-F391 HydrophobicContact SD-CD2 4.33Å; V258-F391 HydrophobicContact CG2-CD2 3.83Å; V258-F391 HydrophobicContact CG2-CE1 4.49Å; V258-F391 HydrophobicContact CG2-CE2 3.74Å; V258-F391 HydrophobicContact CG2-CG 4.27Å; V258-F391 HydrophobicContact CG2-CZ 4.09Å; F261-F391 HydrophobicContact CB-CB 4.25Å; L262-F391 HydrophobicContact CB-CD1 4.46Å; L262-F391 HydrophobicContact CB-CE1 4.49Å; L351-F391 HydrophobicContact CB-CZ 4.09Å; L351-F391 HydrophobicContact CD2-CZ 4.06Å; I382-F391 HydrophobicContact CB-CE2 4.07Å; I382-F391 HydrophobicContact CG1-CE2 4.24Å; I382-F391 HydrophobicContact CG2-CE2 3.92Å; I382-F391 HydrophobicContact CG2-CZ 4.36Å
392	G	98.2	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	178.5	-171.6	-178.9	0	0	0	0	0	108.2	F261	F261-G392 VanDerWaalsContact CB-CA 3.48Å; F261-G392 WeakPolarHBondContact CB-O 3.43Å; F261-G392 VanDerWaalsContact CG-CA 3.42Å
393	P	98.8	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.			trans	-49.6	144.7	-177.1	-30	37.4	0	0	0	114.1	Y228 F261 N272 L275 L313 V340 N341	Y228-P393 HydrophobicContact CD1-CG 4.44Å; Y228-P393 HydrophobicContact CE1-CG 3.87Å; Y228-P393 HydrophobicContact CE2-CG 4.21Å; F261-P393 HydrophobicContact CD1-CG 4.47Å; F261-P393 HydrophobicContact CE1-CG 4.05Å; N272-P393 WeakPolarHBondContact OD1-CA 3.47Å; L275-P393 HydrophobicContact CD1-CB 4.16Å; L275-P393 HydrophobicContact CD1-CG 4.3Å; L313-P393 HydrophobicContact CD1-CB 3.55Å; L313-P393 HydrophobicContact CD1-CG 3.51Å; V340-P393 CarbonylContact C-O 3.51Å; V340-P393 WeakPolarHBondContact CA-O 3.39Å; N341-P393 PolarHBondContact N-O 3.13Å
394	V	98.8	Very high	96.3	Very high	2 Å²	2	30 Å²	30	1%	0.012	18%	0.178	C	C	.	.			trans	-130.3	148.4	179.1	-66.5	0	0	0	0	109.8	K270 N272 N341 P344 D396 V400	K270-V394 WeakPolarHBondContact O-CG2 3.32Å; N272-V394 PolarHBondContact ND2-O 2.83Å; N272-V394 PolarHBondContact OD1-N 2.8Å; N272-V394 PolarHBondContact OD1-O 2.83Å; N341-V394 HydrophobicContact CB-CG1 4.1Å; P344-V394 HydrophobicContact CB-CG1 3.87Å; P344-V394 HydrophobicContact CG-CG1 4Å; V394-D396 HydrophobicContact CG2-CB 4.3Å; V394-D396 PolarHBondContact O-N 2.94Å; V394-V400 WeakPolarHBondContact O-CB 3.1Å
395	V	98.5	Very high	96.3	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.339	19%	0.185	S	C	.	.			trans	-71.4	109	163.9	-176.7	0	0	0	0	107.2	V340 Y342 V400	V340-V395 HydrophobicContact CG1-CG2 4.22Å; Y342-V395 HydrophobicContact CE1-CG2 4.42Å; V395-V400 HydrophobicContact CG2-CG1 4.2Å
396	D	97.6	Very high	96.5	Very high	31 Å²	31	33.5 Å²	33.5	17%	0.166	19%	0.185	C	C	.	.			trans	-111.3	-4.9	-176.3	64	-3.9	0	0	0	113.6	N272 V394 D398 V399 V400	N272-D396 PolarHBondContact ND2-OD1 3.12Å; N272-D396 PolarHBondContact ND2-OD2 3.08Å; V394-D396 HydrophobicContact CG2-CB 4.3Å; V394-D396 PolarHBondContact O-N 2.94Å; D396-D398 VanDerWaalsContact C-N 3.29Å; D396-D398 PolarHBondContact OD1-N 3.17Å; D396-V399 PolarHBondContact OD1-N 2.65Å; D396-V399 WeakPolarHBondContact OD2-CB 3.36Å; D396-V399 PolarHBondContact OD2-N 3.32Å; D396-V400 PolarHBondContact N-O 3.09Å; D396-V400 PolarHBondContact OD1-N 2.76Å
397	G	97	Very high	96.8	Very high	58 Å²	58	28.9 Å²	28.9	60%	0.598	17%	0.168	S	C	*	.	S	Bend	trans	74	18.3	-175.6	0	0	0	0	0	113.6	V400 P401	G397-V400 PolarHBondContact N-O 3.24Å; G397-P401 WeakPolarHBondContact CA-O 3.36Å
398	D	96.3	Very high	96.7	Very high	43 Å²	43	28.7 Å²	28.7	23%	0.23	17%	0.168	C	C	.	.	S	Bend	trans	-145.8	-75.8	-171.6	-169.5	-8.2	0	0	0	111	K270 H318 H319 D396	K270-D398 IonicContact NZ-OD2 2.92Å; K270-D398 PolarHBondContact NZ-OD2 2.72Å; H318-D398 PolarHBondContact CE1-O 3.34Å; H318-D398 IonicContact CE1-OD1 3.23Å; H318-D398 PolarHBondContact ND1-O 3.06Å; H319-D398 IonicContact CD2-OD1 2.73Å; H319-D398 IonicContact CE1-OD1 3.39Å; H319-D398 IonicContact NE2-OD1 2.72Å; H319-D398 PolarHBondContact NE2-OD1 3.39Å; D396-D398 VanDerWaalsContact C-N 3.29Å; D396-D398 PolarHBondContact OD1-N 3.17Å
399	V	97.1	Very high	96.6	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	18%	0.181	C	C	.	.	S	Bend	trans	-75.9	-35.7	176.4	-173.6	0	0	0	0	110.8	N272 L275 L276 I279 S317 D396	N272-V399 HydrophobicContact CB-CB 4Å; N272-V399 HydrophobicContact CB-CG1 4.16Å; N272-V399 HydrophobicContact CB-CG2 4.19Å; L275-V399 HydrophobicContact CB-CG1 4.06Å; L275-V399 HydrophobicContact CD1-CG1 4.21Å; L276-V399 HydrophobicContact CD1-CG2 4.11Å; L276-V399 HydrophobicContact CD2-CG2 3.68Å; L276-V399 HydrophobicContact CG-CG2 3.87Å; I279-V399 HydrophobicContact CD1-CG1 4.11Å; S317-V399 WeakPolarHBondContact CB-O 3.18Å; S317-V399 PolarHBondContact OG-O 2.87Å; D396-V399 PolarHBondContact OD1-N 2.65Å; D396-V399 WeakPolarHBondContact OD2-CB 3.36Å; D396-V399 PolarHBondContact OD2-N 3.32Å
400	V	97.8	Very high	96.4	Very high	4 Å²	4	36 Å²	36	2%	0.024	20%	0.202	C	C	.	.	S	Bend	trans	-124.3	95.9	170.5	-177.9	0	0	0	0	106.4	L275 L313 V394 V395 D396 G397 D402 P404	L275-V400 HydrophobicContact CD1-CG2 4.01Å; L313-V400 HydrophobicContact CD2-CG1 4.34Å; L313-V400 HydrophobicContact CD2-CG2 4.21Å; V394-V400 WeakPolarHBondContact O-CB 3.1Å; V395-V400 HydrophobicContact CG2-CG1 4.2Å; D396-V400 PolarHBondContact N-O 3.09Å; D396-V400 PolarHBondContact OD1-N 2.76Å; G397-V400 PolarHBondContact N-O 3.24Å; V400-D402 WeakPolarHBondContact CG1-O 3.09Å; V400-D402 PolarHBondContact O-N 3.22Å; V400-P404 HydrophobicContact CG1-CG 4.47Å
401	P	96.6	Very high	96	Very high	53 Å²	53	35.9 Å²	35.9	34%	0.344	20%	0.201	S	C	.	.			trans	-65.9	-36.5	-166.4	-26.6	35.7	0	0	0	115.7	G397 L407	G397-P401 WeakPolarHBondContact CA-O 3.36Å; P401-L407 HydrophobicContact CB-CD2 4.37Å
402	D	97.6	Very high	95.3	Very high	69 Å²	69	41.2 Å²	41.2	37%	0.369	23%	0.226	S	C	.	.	S	Bend	trans	-147.5	-175.1	178	-154.8	-16.3	0	0	0	108.9	V400 L407	V400-D402 WeakPolarHBondContact CG1-O 3.09Å; V400-D402 PolarHBondContact O-N 3.22Å; D402-L407 HydrophobicContact CB-CD2 3.91Å; D402-L407 HydrophobicContact CB-CG 4.16Å; D402-L407 WeakPolarHBondContact O-CD1 3.18Å
403	D	97.4	Very high	94.2	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.219	23%	0.226	C	C	.	.			trans	-55.4	132.3	173.2	-170.4	-72.3	0	0	0	111.6	Y342 E405 I406 L407	Y342-D403 VanDerWaalsContact CE1-OD2 3.32Å; Y342-D403 WeakPolarHBondContact CE1-OD2 3.29Å; Y342-D403 PolarHBondContact OH-OD2 3.14Å; D403-E405 PolarHBondContact O-N 2.66Å; D403-E405 VanDerWaalsContact O-N 3.16Å; D403-E405 WeakPolarHBondContact OD1-CB 3.34Å; D403-E405 PolarHBondContact OD1-N 3.09Å; D403-I406 HydrophobicContact CB-CB 4.23Å; D403-I406 HydrophobicContact CB-CD1 3.91Å; D403-I406 HydrophobicContact CB-CG1 4Å; D403-I406 WeakPolarHBondContact O-CA 3.44Å; D403-I406 WeakPolarHBondContact O-CB 3.43Å; D403-I406 PolarHBondContact O-N 2.84Å; D403-L407 WeakPolarHBondContact O-CG 3.41Å; D403-L407 PolarHBondContact O-N 3.06Å
404	P	97.1	Very high	92.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-28.2	-178.2	-26.3	35.4	0	0	0	115.3	L313 L316 A334 I335 V340 V400 M408	L313-P404 HydrophobicContact CD2-CG 3.82Å; L316-P404 HydrophobicContact CD1-CB 3.8Å; A334-P404 HydrophobicContact CB-CB 3.58Å; A334-P404 HydrophobicContact CB-CG 4.13Å; I335-P404 HydrophobicContact CG2-CB 4.01Å; V340-P404 HydrophobicContact CG2-CG 3.86Å; V400-P404 HydrophobicContact CG1-CG 4.47Å; P404-M408 WeakPolarHBondContact O-CB 3.35Å; P404-M408 VanDerWaalsContact O-CG 3.28Å; P404-M408 WeakPolarHBondContact O-CG 3.45Å; P404-M408 PolarHBondContact O-N 2.85Å
405	E	93.8	Very high	91.6	Very high	98 Å²	98	52.8 Å²	52.8	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-39.9	174	-158	-168.5	150.3	0	0	110.7	I335 D403 M408 Q409	I335-E405 HydrophobicContact CG2-CB 3.98Å; I335-E405 HydrophobicContact CG2-CG 4.45Å; D403-E405 PolarHBondContact O-N 2.66Å; D403-E405 VanDerWaalsContact O-N 3.16Å; D403-E405 WeakPolarHBondContact OD1-CB 3.34Å; D403-E405 PolarHBondContact OD1-N 3.09Å; E405-M408 PolarHBondContact O-N 3.05Å; E405-Q409 WeakPolarHBondContact O-CB 3.33Å; E405-Q409 VanDerWaalsContact O-CG 3.25Å; E405-Q409 WeakPolarHBondContact O-CG 3.16Å; E405-Q409 PolarHBondContact O-N 3.45Å; E405-Q409 PolarHBondContact OE1-NE2 3.19Å
406	I	95.3	Very high	91.3	Very high	64 Å²	64	51 Å²	51	33%	0.328	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-46.5	175.7	-65	177.8	0	0	0	110.4	D403 M408 Q409 Q410	D403-I406 HydrophobicContact CB-CB 4.23Å; D403-I406 HydrophobicContact CB-CD1 3.91Å; D403-I406 HydrophobicContact CB-CG1 4Å; D403-I406 WeakPolarHBondContact O-CA 3.44Å; D403-I406 WeakPolarHBondContact O-CB 3.43Å; D403-I406 PolarHBondContact O-N 2.84Å; I406-M408 VanDerWaalsContact C-N 3.33Å; I406-M408 PolarHBondContact O-N 2.99Å; I406-Q409 PolarHBondContact O-N 3.2Å; I406-Q409 VanDerWaalsContact O-N 3.16Å; I406-Q410 HydrophobicContact CG2-CG 4.47Å; I406-Q410 WeakPolarHBondContact O-CG 3.25Å; I406-Q410 PolarHBondContact O-N 2.89Å
407	L	95	Very high	91.2	Very high	7 Å²	7	51 Å²	51	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-40.1	177	-62.6	174.9	0	0	0	111.8	L316 P401 D402 D403 Q410 G411 E412	L316-L407 HydrophobicContact CB-CD1 4.17Å; L316-L407 HydrophobicContact CD1-CB 4.47Å; L316-L407 HydrophobicContact CD2-CB 3.9Å; P401-L407 HydrophobicContact CB-CD2 4.37Å; D402-L407 HydrophobicContact CB-CD2 3.91Å; D402-L407 HydrophobicContact CB-CG 4.16Å; D402-L407 WeakPolarHBondContact O-CD1 3.18Å; D403-L407 WeakPolarHBondContact O-CG 3.41Å; D403-L407 PolarHBondContact O-N 3.06Å; L407-Q410 PolarHBondContact O-N 2.93Å; L407-G411 PolarHBondContact O-N 3.45Å; L407-E412 HydrophobicContact CB-CB 4.4Å; L407-E412 HydrophobicContact CD2-CB 4.38Å; L407-E412 HydrophobicContact CD2-CG 4.27Å; L407-E412 PolarHBondContact O-N 2.93Å
408	M	93.4	Very high	91.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-32.3	174.2	-71.7	-174.2	179.8	0	0	113.3	N312 L316 A334 I335 P404 E405 I406 F413 T506 L509	N312-M408 HydrophobicContact CB-CE 4.49Å; L316-M408 HydrophobicContact CD1-CE 4.01Å; L316-M408 HydrophobicContact CD1-CG 4.18Å; L316-M408 HydrophobicContact CD2-CG 3.93Å; A334-M408 HydrophobicContact CB-CE 4.24Å; I335-M408 HydrophobicContact CG2-SD 4.42Å; P404-M408 WeakPolarHBondContact O-CB 3.35Å; P404-M408 VanDerWaalsContact O-CG 3.28Å; P404-M408 WeakPolarHBondContact O-CG 3.45Å; P404-M408 PolarHBondContact O-N 2.85Å; E405-M408 PolarHBondContact O-N 3.05Å; I406-M408 VanDerWaalsContact C-N 3.33Å; I406-M408 PolarHBondContact O-N 2.99Å; M408-F413 HydrophobicContact CB-CD1 4.35Å; M408-F413 HydrophobicContact CB-CE1 4.1Å; M408-F413 HydrophobicContact CG-CD1 4.13Å; M408-F413 HydrophobicContact CG-CE1 4.27Å; M408-F413 WeakPolarHBondContact O-CE1 3.32Å; M408-T506 HydrophobicContact CE-CG2 3.75Å; M408-T506 HydrophobicContact SD-CG2 4.12Å; M408-L509 HydrophobicContact CB-CD1 3.67Å
409	Q	92.6	Very high	91.3	Very high	112 Å²	112	46.1 Å²	46.1	52%	0.523	23%	0.234	S	C	.	.	H	α-helix	trans	-73.2	-29.6	174.6	-73.1	176.7	22.8	0	0	112.6	E405 I406	E405-Q409 WeakPolarHBondContact O-CB 3.33Å; E405-Q409 VanDerWaalsContact O-CG 3.25Å; E405-Q409 WeakPolarHBondContact O-CG 3.16Å; E405-Q409 PolarHBondContact O-N 3.45Å; E405-Q409 PolarHBondContact OE1-NE2 3.19Å; I406-Q409 PolarHBondContact O-N 3.2Å; I406-Q409 VanDerWaalsContact O-N 3.16Å
410	Q	91.9	Very high	91.4	Very high	104 Å²	104	46 Å²	46	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-77.3	-28.8	173.1	-70.6	170.6	5.5	0	0	112.4	I406 L407 E412 F513	I406-Q410 HydrophobicContact CG2-CG 4.47Å; I406-Q410 WeakPolarHBondContact O-CG 3.25Å; I406-Q410 PolarHBondContact O-N 2.89Å; L407-Q410 PolarHBondContact O-N 2.93Å; Q410-E412 HydrophobicContact CB-CG 4.01Å; Q410-F513 WeakPolarHBondContact O-CE1 3.3Å; Q410-F513 WeakPolarHBondContact O-CZ 3.48Å
411	G	87.7	Confident	91.4	Very high	4 Å²	4	45.8 Å²	45.8	4%	0.041	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	20.4	179.2	0	0	0	0	0	114.2	L407 F413 L414	L407-G411 PolarHBondContact O-N 3.45Å; G411-F413 PolarHBondContact O-N 3.33Å; G411-L414 VanDerWaalsContact O-CD2 3.22Å; G411-L414 WeakPolarHBondContact O-CD2 3.43Å; G411-L414 VanDerWaalsContact O-CG 3.25Å; G411-L414 WeakPolarHBondContact O-CG 3.38Å; G411-L414 PolarHBondContact O-N 3.47Å
412	E	83.1	Confident	91.6	Very high	116 Å²	116	43.3 Å²	43.3	54%	0.542	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	32.9	-176	-59.6	-61.2	148.1	0	0	113.9	L407 Q410	L407-E412 HydrophobicContact CB-CB 4.4Å; L407-E412 HydrophobicContact CD2-CB 4.38Å; L407-E412 HydrophobicContact CD2-CG 4.27Å; L407-E412 PolarHBondContact O-N 2.93Å; Q410-E412 HydrophobicContact CB-CG 4.01Å
413	F	76.1	Confident	91.6	Very high	2 Å²	2	40 Å²	40	1%	0.009	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	11.6	178.4	55.8	-112.1	0	0	0	113	I315 L316 M408 G411 Y416 L509 H510 F513	I315-F413 HydrophobicContact CG2-CB 3.35Å; L316-F413 HydrophobicContact CD2-CB 3.96Å; L316-F413 HydrophobicContact CD2-CD1 4.11Å; M408-F413 HydrophobicContact CB-CD1 4.35Å; M408-F413 HydrophobicContact CB-CE1 4.1Å; M408-F413 HydrophobicContact CG-CD1 4.13Å; M408-F413 HydrophobicContact CG-CE1 4.27Å; M408-F413 WeakPolarHBondContact O-CE1 3.32Å; G411-F413 PolarHBondContact O-N 3.33Å; F413-Y416 VanDerWaalsContact O-CD2 3.28Å; F413-Y416 WeakPolarHBondContact O-CD2 3.48Å; F413-L509 HydrophobicContact CE1-CB 4.38Å; F413-L509 HydrophobicContact CZ-CB 4.42Å; F413-H510 AromaticContact CD2-CE1 3.48Å; F413-H510 VanDerWaalsContact CD2-CE1 3.48Å; F413-H510 WeakPolarHBondContact CD2-CE1 3.44Å; F413-H510 AromaticContact CD2-ND1 3.42Å; F413-H510 WeakPolarHBondContact CD2-ND1 3.35Å; F413-H510 HydrophobicContact CE2-CB 4.3Å; F413-H510 AromaticContact CE2-CG 3.89Å; F413-H510 AromaticContact CE2-ND1 3.64Å; F413-H510 AromaticContact CG-CE1 3.64Å; F413-F513 HydrophobicContact CE1-CD2 4.36Å; F413-F513 HydrophobicContact CE2-CB 3.64Å; F413-F513 HydrophobicContact CE2-CD2 4.4Å; F413-F513 HydrophobicContact CE2-CG 4.24Å; F413-F513 HydrophobicContact CZ-CB 3.75Å; F413-F513 AromaticContact CZ-CD2 3.63Å; F413-F513 HydrophobicContact CZ-CD2 3.63Å; F413-F513 HydrophobicContact CZ-CE2 4.49Å; F413-F513 AromaticContact CZ-CG 3.92Å; F413-F513 HydrophobicContact CZ-CG 3.92Å
414	L	65.9	Low	91.6	Very high	91 Å²	91	39.4 Å²	39.4	48%	0.476	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	146.1	-168.6	-57.9	-174.6	0	0	0	113	G411 F513	G411-L414 VanDerWaalsContact O-CD2 3.22Å; G411-L414 WeakPolarHBondContact O-CD2 3.43Å; G411-L414 VanDerWaalsContact O-CG 3.25Å; G411-L414 WeakPolarHBondContact O-CG 3.38Å; G411-L414 PolarHBondContact O-N 3.47Å; L414-F513 HydrophobicContact CD2-CB 4.25Å; L414-F513 HydrophobicContact CD2-CD1 4.15Å
415	N	75.6	Confident	91.5	Very high	151 Å²	151	39.4 Å²	39.4	81%	0.807	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	4.1	169.4	-41.4	-72.5	0	0	0	118.6
416	Y	92.1	Very high	91.7	Very high	19 Å²	19	35 Å²	35	8%	0.075	17%	0.174	C	C	.	.			trans	-97.7	130.4	175.9	-56.2	-67.4	0	0	0	113.5	I315 F324 F413	I315-Y416 HydrophobicContact CB-CD2 4.37Å; I315-Y416 HydrophobicContact CG1-CD2 4.15Å; I315-Y416 HydrophobicContact CG2-CD2 3.9Å; I315-Y416 HydrophobicContact CG2-CE2 4.28Å; F324-Y416 AromaticContact CD2-CD1 3.92Å; F324-Y416 HydrophobicContact CD2-CD1 3.92Å; F324-Y416 AromaticContact CD2-CE1 3.88Å; F324-Y416 HydrophobicContact CD2-CE1 3.88Å; F324-Y416 HydrophobicContact CE1-CE1 4.36Å; F324-Y416 AromaticContact CE2-CD1 3.49Å; F324-Y416 HydrophobicContact CE2-CD1 3.49Å; F324-Y416 VanDerWaalsContact CE2-CD1 3.49Å; F324-Y416 HydrophobicContact CE2-CD2 4.5Å; F324-Y416 AromaticContact CE2-CE1 3.5Å; F324-Y416 HydrophobicContact CE2-CE1 3.5Å; F324-Y416 VanDerWaalsContact CE2-CE1 3.5Å; F324-Y416 HydrophobicContact CE2-CG 4.03Å; F324-Y416 HydrophobicContact CG-CE1 4.46Å; F324-Y416 HydrophobicContact CZ-CD1 4.16Å; F324-Y416 AromaticContact CZ-CE1 3.76Å; F324-Y416 HydrophobicContact CZ-CE1 3.76Å; F324-Y416 HydrophobicContact CZ-CE2 4.29Å; F324-Y416 AromaticContact CZ-CZ 3.84Å; F324-Y416 WeakPolarHBondContact O-CE1 3.43Å; F413-Y416 VanDerWaalsContact O-CD2 3.28Å; F413-Y416 WeakPolarHBondContact O-CD2 3.48Å
417	D	95.5	Very high	91.7	Very high	30 Å²	30	32 Å²	32	16%	0.16	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.6	161	-58.5	-45.8	0	0	0	108.6	R326 A327 P516 F580 G584	R326-D417 WeakPolarHBondContact CA-O 3.28Å; R326-D417 HydrophobicContact CB-CB 4.34Å; R326-D417 WeakPolarHBondContact CD-OD2 3.31Å; R326-D417 HydrophobicContact CG-CB 3.94Å; R326-D417 IonicContact CZ-OD2 3.6Å; R326-D417 IonicContact NE-OD2 3.63Å; R326-D417 PolarHBondContact NE-OD2 2.78Å; R326-D417 IonicContact NH2-OD2 3.41Å; R326-D417 PolarHBondContact NH2-OD2 3.11Å; A327-D417 PolarHBondContact N-O 2.9Å; D417-P516 WeakPolarHBondContact OD1-CB 3.3Å; D417-P516 WeakPolarHBondContact OD1-CG 3.38Å; D417-F580 HydrophobicContact CB-CE2 3.85Å; D417-F580 HydrophobicContact CB-CZ 3.66Å; D417-G584 VanDerWaalsContact OD2-CA 3.3Å; D417-G584 WeakPolarHBondContact OD2-CA 3.24Å
418	I	97.6	Very high	91.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.2	177.4	-171.1	170.9	0	0	0	113.7	I315 A327 I420 H510 P516 V517 Y518	I315-I418 HydrophobicContact CD1-CD1 4.21Å; A327-I418 HydrophobicContact CB-CG1 4.32Å; A327-I418 WeakPolarHBondContact O-CA 3.46Å; I418-I420 HydrophobicContact CD1-CB 4.49Å; I418-I420 HydrophobicContact CG1-CB 4.36Å; I418-H510 HydrophobicContact CG2-CB 4.09Å; I418-P516 PolarHBondContact N-O 2.95Å; I418-V517 HydrophobicContact CG2-CB 4.31Å; I418-V517 HydrophobicContact CG2-CG1 4.25Å; I418-V517 HydrophobicContact CG2-CG2 3.8Å; I418-V517 CarbonylContact O-C 3.55Å; I418-V517 WeakPolarHBondContact O-CA 3.42Å; I418-Y518 PolarHBondContact O-N 3.38Å
419	L	98.8	Very high	91.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.6	165.8	-169.4	156.3	0	0	0	107.8	A327 I328 A329 Y518 Y520 W577 F580 P586 W609	A327-L419 PolarHBondContact O-N 2.91Å; I328-L419 CarbonylContact C-O 3.56Å; I328-L419 VanDerWaalsContact CA-O 3.25Å; I328-L419 WeakPolarHBondContact CA-O 3.49Å; I328-L419 HydrophobicContact CG1-CB 4.17Å; I328-L419 HydrophobicContact CG2-CB 4.2Å; I328-L419 HydrophobicContact CG2-CD2 3.63Å; I328-L419 HydrophobicContact CG2-CG 4.46Å; A329-L419 PolarHBondContact N-O 3.03Å; L419-Y518 WeakPolarHBondContact CA-O 3.44Å; L419-Y520 HydrophobicContact CD2-CD1 3.69Å; L419-Y520 HydrophobicContact CD2-CE1 3.85Å; L419-W577 HydrophobicContact CD2-CH2 4.09Å; L419-W577 HydrophobicContact CD2-CZ2 4.1Å; L419-W577 HydrophobicContact CD2-CZ3 4.38Å; L419-F580 HydrophobicContact CB-CD1 4.02Å; L419-F580 HydrophobicContact CB-CD2 4.35Å; L419-F580 HydrophobicContact CB-CE1 3.84Å; L419-F580 HydrophobicContact CB-CE2 4.19Å; L419-F580 HydrophobicContact CB-CG 4.26Å; L419-F580 HydrophobicContact CB-CZ 3.93Å; L419-F580 HydrophobicContact CD1-CB 4.11Å; L419-F580 HydrophobicContact CD1-CD1 4.33Å; L419-F580 HydrophobicContact CD1-CD2 4.33Å; L419-F580 HydrophobicContact CD1-CG 4Å; L419-P586 HydrophobicContact CD1-CB 4.39Å; L419-W609 HydrophobicContact CD1-CH2 3.65Å; L419-W609 HydrophobicContact CD1-CZ2 4.23Å; L419-W609 HydrophobicContact CD1-CZ3 4.02Å; L419-W609 HydrophobicContact CD2-CH2 3.87Å; L419-W609 HydrophobicContact CD2-CZ2 4.38Å; L419-W609 HydrophobicContact CG-CH2 3.84Å; L419-W609 HydrophobicContact CG-CZ2 4.1Å
420	I	98.8	Very high	91.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.5	-173	-175.5	166.6	0	0	0	110.4	A329 T333 I418 A503 T506 A507 V517 Y518 F519 Y520	A329-I420 HydrophobicContact CB-CB 4.43Å; A329-I420 HydrophobicContact CB-CD1 4.32Å; A329-I420 HydrophobicContact CB-CG1 4.12Å; A329-I420 WeakPolarHBondContact O-CA 3.41Å; T333-I420 HydrophobicContact CG2-CD1 4.48Å; I418-I420 HydrophobicContact CD1-CB 4.49Å; I418-I420 HydrophobicContact CG1-CB 4.36Å; I420-A503 HydrophobicContact CD1-CB 4.27Å; I420-A503 HydrophobicContact CG1-CB 4.38Å; I420-T506 HydrophobicContact CD1-CG2 3.85Å; I420-A507 HydrophobicContact CG2-CB 3.95Å; I420-V517 HydrophobicContact CG2-CG1 4.08Å; I420-Y518 PolarHBondContact N-O 3.18Å; I420-F519 HydrophobicContact CG2-CD2 3.82Å; I420-F519 HydrophobicContact CG2-CE2 4.25Å; I420-F519 CarbonylContact O-C 3.45Å; I420-F519 VanDerWaalsContact O-CA 3.24Å; I420-F519 WeakPolarHBondContact O-CA 3.33Å; I420-Y520 WeakPolarHBondContact O-CD1 3.46Å; I420-Y520 PolarHBondContact O-N 3.33Å
421	G	98.6	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-179.2	176.5	0	0	0	0	0	114.1	A329 S331 Y520	A329-G421 PolarHBondContact O-N 3.18Å; S331-G421 PolarHBondContact N-O 2.91Å; G421-Y520 VanDerWaalsContact CA-CE1 3.45Å; G421-Y520 WeakPolarHBondContact CA-O 3.39Å
422	V	98.8	Very high	90.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155.5	-170.7	-67.2	0	0	0	0	110.9	E426 W499 V500 A503 F519 Y520 T521 F522 Y632	V422-E426 WeakPolarHBondContact CA-OE1 3.47Å; V422-E426 WeakPolarHBondContact CB-OE1 3.45Å; V422-W499 HydrophobicContact CG1-CB 4.01Å; V422-V500 HydrophobicContact CG2-CG2 4.21Å; V422-A503 HydrophobicContact CG1-CB 3.74Å; V422-F519 HydrophobicContact CG2-CE1 4.4Å; V422-F519 HydrophobicContact CG2-CZ 4.44Å; V422-Y520 PolarHBondContact N-O 3.3Å; V422-T521 HydrophobicContact CG2-CG2 4.41Å; V422-T521 CarbonylContact O-C 3.59Å; V422-T521 VanDerWaalsContact O-CA 3.25Å; V422-T521 WeakPolarHBondContact O-CA 3.31Å; V422-F522 PolarHBondContact O-N 3.44Å; V422-Y632 HydrophobicContact CG2-CD1 4.45Å; V422-Y632 HydrophobicContact CG2-CE1 3.68Å
423	N	98.7	Very high	89.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	157.5	176.4	-57.7	-12.3	0	0	0	109.8	G425 E426 F522 A538 E542	N423-G425 PolarHBondContact O-N 2.92Å; N423-E426 HydrophobicContact CB-CG 4.38Å; N423-E426 PolarHBondContact N-OE1 3.24Å; N423-F522 HydrophobicContact CB-CB 4.31Å; N423-F522 WeakPolarHBondContact OD1-CB 3.13Å; N423-A538 PolarHBondContact ND2-O 3.48Å; N423-E542 PolarHBondContact ND2-OE2 3.28Å
424	Q	97.2	Very high	88.8	Confident	27 Å²	27	29 Å²	29	13%	0.126	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.7	-172.3	-179.2	-178.9	-17.3	0	0	114.2	F522 Y523 D536 A537	Q424-F522 WeakPolarHBondContact CB-O 3.5Å; Q424-F522 PolarHBondContact N-O 3.02Å; Q424-Y523 HydrophobicContact CB-CD1 4.3Å; Q424-Y523 HydrophobicContact CB-CD2 3.91Å; Q424-Y523 HydrophobicContact CB-CE1 4.33Å; Q424-Y523 HydrophobicContact CB-CE2 3.91Å; Q424-Y523 HydrophobicContact CB-CG 4.1Å; Q424-Y523 VanDerWaalsContact CD-CD1 3.41Å; Q424-Y523 VanDerWaalsContact CD-CE1 3.47Å; Q424-Y523 HydrophobicContact CG-CD1 3.91Å; Q424-Y523 HydrophobicContact CG-CD2 4.28Å; Q424-Y523 HydrophobicContact CG-CE1 3.64Å; Q424-Y523 HydrophobicContact CG-CE2 4Å; Q424-Y523 HydrophobicContact CG-CG 4.23Å; Q424-D536 HydrophobicContact CB-CB 4.3Å; Q424-D536 HydrophobicContact CG-CB 3.91Å; Q424-D536 PolarHBondContact NE2-OD1 3.03Å; Q424-D536 PolarHBondContact NE2-OD2 2.98Å; Q424-D536 VanDerWaalsContact NE2-OD2 3.16Å; Q424-A537 HydrophobicContact CB-CB 4.41Å; Q424-A537 PolarHBondContact N-O 2.83Å
425	G	95.9	Very high	88.1	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.01	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.9	44.5	-167.8	0	0	0	0	0	113.2	N423 G427 L428 L491 A537 A538	N423-G425 PolarHBondContact O-N 2.92Å; G425-G427 PolarHBondContact O-N 3.35Å; G425-L428 PolarHBondContact O-N 2.88Å; G425-L491 VanDerWaalsContact CA-CD2 3.5Å; G425-A537 CarbonylContact C-O 3.59Å; G425-A537 VanDerWaalsContact CA-O 3.32Å; G425-A537 WeakPolarHBondContact CA-O 3.45Å; G425-A537 PolarHBondContact N-O 3.38Å; G425-A538 WeakPolarHBondContact O-CA 3.35Å
426	E	97.6	Very high	87.3	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.019	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.3	-48.3	177.9	-56.8	-84	-169.8	0	0	113.1	S331 V422 N423 L428 T495 W499 H539	S331-E426 WeakPolarHBondContact CB-OE1 3.36Å; S331-E426 PolarHBondContact OG-OE1 3.44Å; S331-E426 PolarHBondContact OG-OE2 2.91Å; V422-E426 WeakPolarHBondContact CA-OE1 3.47Å; V422-E426 WeakPolarHBondContact CB-OE1 3.45Å; N423-E426 HydrophobicContact CB-CG 4.38Å; N423-E426 PolarHBondContact N-OE1 3.24Å; E426-L428 PolarHBondContact O-N 3.33Å; E426-T495 HydrophobicContact CB-CG2 3.99Å; E426-T495 HydrophobicContact CG-CG2 3.91Å; E426-T495 PolarHBondContact N-OG1 3.11Å; E426-W499 HydrophobicContact CB-CD2 3.42Å; E426-W499 VanDerWaalsContact CB-CD2 3.42Å; E426-W499 HydrophobicContact CB-CE3 3.37Å; E426-W499 HydrophobicContact CB-CG 4Å; E426-W499 HydrophobicContact CB-CH2 3.87Å; E426-W499 HydrophobicContact CB-CZ2 3.94Å; E426-W499 HydrophobicContact CB-CZ3 3.6Å; E426-W499 HydrophobicContact CG-CB 3.94Å; E426-W499 HydrophobicContact CG-CD2 3.72Å; E426-W499 HydrophobicContact CG-CE3 4.06Å; E426-W499 HydrophobicContact CG-CG 3.71Å; E426-H539 PolarHBondContact O-N 2.74Å; E426-H539 WeakPolarHBondContact OE2-CA 3.49Å; E426-H539 IonicContact OE2-CE1 3.98Å; E426-H539 IonicContact OE2-CG 2.99Å; E426-H539 IonicContact OE2-ND1 3.26Å; E426-H539 PolarHBondContact OE2-ND1 2.8Å
427	G	94.4	Very high	85.9	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.021	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	32	-174.1	0	0	0	0	0	116.5	G425 K429 F430 T495	G425-G427 PolarHBondContact O-N 3.35Å; G427-K429 PolarHBondContact O-N 3.38Å; G427-F430 VanDerWaalsContact O-CB 3.28Å; G427-F430 WeakPolarHBondContact O-CB 3.48Å; G427-F430 PolarHBondContact O-N 2.66Å; G427-F430 VanDerWaalsContact O-N 3.13Å; G427-T495 PolarHBondContact N-OG1 2.94Å
428	L	93.8	Very high	84.6	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-54.9	-51.5	178.8	178.8	59.4	0	0	0	112.2	V160 G425 E426 F430 V431 D432 L491 W534 A535 A538	V160-L428 HydrophobicContact CG1-CD2 4.46Å; V160-L428 HydrophobicContact CG2-CD2 4.3Å; G425-L428 PolarHBondContact O-N 2.88Å; E426-L428 PolarHBondContact O-N 3.33Å; L428-F430 PolarHBondContact O-N 3.48Å; L428-V431 WeakPolarHBondContact O-CG2 3.42Å; L428-V431 PolarHBondContact O-N 3.17Å; L428-D432 PolarHBondContact O-N 3.27Å; L428-L491 HydrophobicContact CD1-CD1 4.2Å; L428-W534 HydrophobicContact CD1-CH2 3.53Å; L428-W534 HydrophobicContact CD1-CZ2 4.41Å; L428-W534 HydrophobicContact CD1-CZ3 3.82Å; L428-A535 HydrophobicContact CD1-CB 3.75Å; L428-A535 HydrophobicContact CD2-CB 4.06Å; L428-A538 HydrophobicContact CB-CB 3.7Å; L428-A538 HydrophobicContact CD2-CB 3.9Å; L428-A538 HydrophobicContact CG-CB 4.46Å
429	K	91.7	Very high	83.9	Confident	31 Å²	31	44.6 Å²	44.6	14%	0.135	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.3	-4.1	179.5	-64.2	-69.9	175.4	-170.6	0	114.4	I156 D164 G427 D432	I156-K429 HydrophobicContact CG2-CB 4.29Å; I156-K429 WeakPolarHBondContact CG2-O 3.36Å; D164-K429 IonicContact OD1-NZ 2.75Å; D164-K429 PolarHBondContact OD1-NZ 2.85Å; G427-K429 PolarHBondContact O-N 3.38Å; K429-D432 HydrophobicContact CD-CB 4.29Å; K429-D432 VanDerWaalsContact CD-OD2 3.3Å; K429-D432 WeakPolarHBondContact CD-OD2 3.28Å; K429-D432 WeakPolarHBondContact CE-OD2 3.14Å; K429-D432 IonicContact NZ-OD2 2.77Å; K429-D432 PolarHBondContact NZ-OD2 2.99Å
430	F	90.9	Very high	83.4	Confident	15 Å²	15	45.2 Å²	45.2	7%	0.066	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-80.7	-16.5	170.1	-178.5	-109.1	0	0	0	113.4	Y387 G427 L428 T448 F452 L490 F494	Y387-F430 HydrophobicContact CE1-CD2 4.45Å; Y387-F430 HydrophobicContact CE1-CE2 4.31Å; G427-F430 VanDerWaalsContact O-CB 3.28Å; G427-F430 WeakPolarHBondContact O-CB 3.48Å; G427-F430 PolarHBondContact O-N 2.66Å; G427-F430 VanDerWaalsContact O-N 3.13Å; L428-F430 PolarHBondContact O-N 3.48Å; F430-T448 HydrophobicContact CE1-CG2 3.65Å; F430-T448 HydrophobicContact CE2-CG2 4.13Å; F430-T448 HydrophobicContact CZ-CG2 3.35Å; F430-F452 HydrophobicContact CE2-CD2 4.39Å; F430-F452 HydrophobicContact CZ-CB 4.39Å; F430-F452 HydrophobicContact CZ-CD2 4.23Å; F430-L490 HydrophobicContact CE1-CB 4.24Å; F430-L490 HydrophobicContact CE1-CD2 4.46Å; F430-F494 HydrophobicContact CB-CB 4.01Å; F430-F494 HydrophobicContact CB-CD1 3.56Å; F430-F494 HydrophobicContact CB-CD2 4.44Å; F430-F494 HydrophobicContact CB-CE1 4.13Å; F430-F494 HydrophobicContact CB-CG 3.75Å; F430-F494 HydrophobicContact CD1-CB 3.48Å; F430-F494 VanDerWaalsContact CD1-CB 3.48Å; F430-F494 HydrophobicContact CD1-CD2 4.29Å; F430-F494 AromaticContact CD1-CG 3.9Å; F430-F494 HydrophobicContact CD1-CG 3.9Å; F430-F494 HydrophobicContact CD2-CB 4.22Å; F430-F494 HydrophobicContact CD2-CD1 4.15Å; F430-F494 AromaticContact CD2-CD2 3.52Å; F430-F494 HydrophobicContact CD2-CD2 3.52Å; F430-F494 HydrophobicContact CD2-CE1 4.42Å; F430-F494 AromaticContact CD2-CE2 3.86Å; F430-F494 HydrophobicContact CD2-CE2 3.86Å; F430-F494 AromaticContact CD2-CG 3.7Å; F430-F494 HydrophobicContact CD2-CG 3.7Å; F430-F494 HydrophobicContact CD2-CZ 4.28Å; F430-F494 HydrophobicContact CE1-CB 3.89Å; F430-F494 HydrophobicContact CE1-CD2 4.41Å; F430-F494 HydrophobicContact CE1-CG 4.38Å; F430-F494 AromaticContact CE2-CD2 3.68Å; F430-F494 HydrophobicContact CE2-CD2 3.68Å; F430-F494 HydrophobicContact CE2-CE2 4.1Å; F430-F494 HydrophobicContact CE2-CG 4.22Å; F430-F494 HydrophobicContact CG-CB 3.65Å; F430-F494 AromaticContact CG-CD1 3.88Å; F430-F494 HydrophobicContact CG-CD1 3.88Å; F430-F494 AromaticContact CG-CD2 3.85Å; F430-F494 HydrophobicContact CG-CD2 3.85Å; F430-F494 HydrophobicContact CG-CE2 4.5Å; F430-F494 AromaticContact CG-CG 3.52Å; F430-F494 HydrophobicContact CG-CG 3.52Å; F430-F494 HydrophobicContact CZ-CB 4.42Å; F430-F494 HydrophobicContact CZ-CD2 4.12Å
431	V	86.9	Confident	83.1	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.024	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-1	-178.8	-63.9	0	0	0	0	114.2	L428 D433 S434 I440 R487 L490 L491 W534	L428-V431 WeakPolarHBondContact O-CG2 3.42Å; L428-V431 PolarHBondContact O-N 3.17Å; V431-D433 VanDerWaalsContact C-N 3.28Å; V431-D433 PolarHBondContact O-N 3.13Å; V431-S434 WeakPolarHBondContact O-CB 3.5Å; V431-S434 PolarHBondContact O-N 3.46Å; V431-S434 VanDerWaalsContact O-N 3.08Å; V431-S434 PolarHBondContact O-OG 2.98Å; V431-I440 HydrophobicContact CB-CD1 4.14Å; V431-I440 HydrophobicContact CG1-CD1 3.97Å; V431-R487 HydrophobicContact CB-CG 4.23Å; V431-R487 HydrophobicContact CG2-CG 4.22Å; V431-L490 HydrophobicContact CG1-CB 3.74Å; V431-L491 HydrophobicContact CG1-CB 4.37Å; V431-L491 HydrophobicContact CG2-CB 3.95Å; V431-L491 HydrophobicContact CG2-CD1 3.93Å; V431-L491 HydrophobicContact CG2-CG 4.35Å; V431-W534 HydrophobicContact CG2-CH2 3.89Å; V431-W534 HydrophobicContact CG2-CZ3 4.33Å
432	D	73.3	Confident	82.8	Confident	45 Å²	45	50.9 Å²	50.9	24%	0.241	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-36	-177.7	-124.3	18.4	0	0	0	112.5	L428 K429 S434	L428-D432 PolarHBondContact O-N 3.27Å; K429-D432 HydrophobicContact CD-CB 4.29Å; K429-D432 VanDerWaalsContact CD-OD2 3.3Å; K429-D432 WeakPolarHBondContact CD-OD2 3.28Å; K429-D432 WeakPolarHBondContact CE-OD2 3.14Å; K429-D432 IonicContact NZ-OD2 2.77Å; K429-D432 PolarHBondContact NZ-OD2 2.99Å; D432-S434 PolarHBondContact O-N 3.19Å
433	D	62.3	Low	82.5	Confident	152 Å²	152	54.4 Å²	54.4	81%	0.813	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-6.9	174.5	-66.1	-19.5	0	0	0	114.5	V431 E435	V431-D433 VanDerWaalsContact C-N 3.28Å; V431-D433 PolarHBondContact O-N 3.13Å; D433-E435 PolarHBondContact O-N 3.31Å
434	S	60.3	Low	82.2	Confident	31 Å²	31	56.2 Å²	56.2	22%	0.217	33%	0.325	C	S	.	.			trans	-89.3	67.8	177.1	63.1	0	0	0	0	112.6	V431 D432 D436 I440	V431-S434 WeakPolarHBondContact O-CB 3.5Å; V431-S434 PolarHBondContact O-N 3.46Å; V431-S434 VanDerWaalsContact O-N 3.08Å; V431-S434 PolarHBondContact O-OG 2.98Å; D432-S434 PolarHBondContact O-N 3.19Å; S434-D436 PolarHBondContact O-N 2.91Å; S434-I440 WeakPolarHBondContact OG-CG1 3.46Å
435	E	52.2	Low	82	Confident	185 Å²	185	55.1 Å²	55.1	86%	0.864	32%	0.319	S	S	*	.			trans	-60.3	-10.4	178.6	-63.5	-169.7	134.6	0	0	115	D433 N437	D433-E435 PolarHBondContact O-N 3.31Å; E435-N437 PolarHBondContact O-N 2.89Å
436	D	58.7	Low	81.8	Confident	117 Å²	117	57.6 Å²	57.6	63%	0.626	33%	0.332	S	S	*	.			trans	-66.2	117.2	176.9	-81	-36.4	0	0	0	111.8	S434 D438 G439	S434-D436 PolarHBondContact O-N 2.91Å; D436-D438 PolarHBondContact O-N 2.82Å; D436-D438 VanDerWaalsContact O-N 3.08Å; D436-G439 PolarHBondContact O-N 2.83Å
437	N	61.8	Low	81.6	Confident	164 Å²	164	64.6 Å²	64.6	88%	0.877	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.4	172.7	-83.1	-53.4	0	0	0	113.8	E435 G439	E435-N437 PolarHBondContact O-N 2.89Å; N437-G439 PolarHBondContact O-N 3.4Å
438	D	67.5	Low	81.6	Confident	148 Å²	148	66.2 Å²	66.2	79%	0.791	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.6	176.2	-65.6	-33.5	0	0	0	113.2	D436	D436-D438 PolarHBondContact O-N 2.82Å; D436-D438 VanDerWaalsContact O-N 3.08Å
439	G	83.4	Confident	81.5	Confident	6 Å²	6	66.1 Å²	66.1	6%	0.062	37%	0.369	C	S	.	.			trans	74.7	-167.8	-179.1	0	0	0	0	0	114.3	D436 N437 S441 R487	D436-G439 PolarHBondContact O-N 2.83Å; N437-G439 PolarHBondContact O-N 3.4Å; G439-S441 PolarHBondContact O-N 2.77Å; G439-R487 VanDerWaalsContact CA-NH1 3.29Å
440	I	89.7	Confident	81.5	Confident	13 Å²	13	65.8 Å²	65.8	7%	0.067	37%	0.37	C	S	.	.			trans	-77.9	126	-166.8	-67.4	-173.2	0	0	0	111	V431 S434 A444 F445 G483 R486 R487 L490	V431-I440 HydrophobicContact CB-CD1 4.14Å; V431-I440 HydrophobicContact CG1-CD1 3.97Å; S434-I440 WeakPolarHBondContact OG-CG1 3.46Å; I440-A444 HydrophobicContact CG2-CB 3.93Å; I440-F445 HydrophobicContact CG2-CB 4.22Å; I440-G483 PolarHBondContact N-O 2.84Å; I440-G483 VanDerWaalsContact N-O 3.07Å; I440-R486 HydrophobicContact CB-CB 4.42Å; I440-R486 VanDerWaalsContact O-CZ 3.24Å; I440-R486 PolarHBondContact O-NE 3.08Å; I440-R486 PolarHBondContact O-NH2 2.9Å; I440-R487 HydrophobicContact CB-CB 4.47Å; I440-R487 HydrophobicContact CD1-CB 4.16Å; I440-R487 HydrophobicContact CD1-CG 4Å; I440-R487 HydrophobicContact CG1-CB 4Å; I440-R487 HydrophobicContact CG1-CG 4.13Å; I440-L490 HydrophobicContact CD1-CD1 3.68Å; I440-L490 HydrophobicContact CG2-CD1 3.95Å
441	S	92	Very high	81.5	Confident	64 Å²	64	66.8 Å²	66.8	45%	0.448	38%	0.376	S	S	.	.			trans	-67.8	154.1	175.4	76.8	0	0	0	0	112.2	G439 A443 A444 F445	G439-S441 PolarHBondContact O-N 2.77Å; S441-A443 PolarHBondContact O-N 2.65Å; S441-A444 PolarHBondContact O-N 2.88Å; S441-A444 WeakPolarHBondContact OG-CB 3.34Å; S441-A444 PolarHBondContact OG-N 2.78Å; S441-F445 WeakPolarHBondContact O-CB 3.33Å; S441-F445 PolarHBondContact O-N 3.08Å
442	A	92	Very high	81.8	Confident	56 Å²	56	66.6 Å²	66.6	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-30.9	179.4	0	0	0	0	0	113.1	D446	A442-D446 PolarHBondContact O-N 2.7Å; A442-D446 VanDerWaalsContact O-N 3.08Å
443	A	92.4	Very high	82.7	Confident	75 Å²	75	64.5 Å²	64.5	62%	0.62	36%	0.364	S	S	*	.	H	α-helix	trans	-71.7	-40.8	175.7	0	0	0	0	0	112.3	S441 F445 Y447	S441-A443 PolarHBondContact O-N 2.65Å; A443-F445 VanDerWaalsContact C-N 3.34Å; A443-Y447 VanDerWaalsContact O-CB 3.31Å; A443-Y447 WeakPolarHBondContact O-CB 3.4Å; A443-Y447 PolarHBondContact O-N 2.81Å
444	A	92.2	Very high	84	Confident	38 Å²	38	59.9 Å²	59.9	31%	0.314	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-37.5	173.5	0	0	0	0	0	111.6	I440 S441 Y447 T448	I440-A444 HydrophobicContact CG2-CB 3.93Å; S441-A444 PolarHBondContact O-N 2.88Å; S441-A444 WeakPolarHBondContact OG-CB 3.34Å; S441-A444 PolarHBondContact OG-N 2.78Å; A444-Y447 PolarHBondContact O-N 2.93Å; A444-T448 VanDerWaalsContact O-CB 3.31Å; A444-T448 WeakPolarHBondContact O-CB 3.28Å; A444-T448 PolarHBondContact O-N 2.83Å; A444-T448 PolarHBondContact O-OG1 3.23Å; A444-T448 VanDerWaalsContact O-OG1 3.11Å
445	F	93.1	Very high	85.4	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.018	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-54	173.9	-174.7	-94.8	0	0	0	112.3	I440 S441 A443 Y447 T448 I449 K471 Y474 R486 T489 L490	I440-F445 HydrophobicContact CG2-CB 4.22Å; S441-F445 WeakPolarHBondContact O-CB 3.33Å; S441-F445 PolarHBondContact O-N 3.08Å; A443-F445 VanDerWaalsContact C-N 3.34Å; F445-Y447 VanDerWaalsContact C-N 3.34Å; F445-Y447 PolarHBondContact O-N 3.48Å; F445-T448 PolarHBondContact O-N 3.49Å; F445-I449 HydrophobicContact CD1-CD1 4.05Å; F445-I449 HydrophobicContact CE1-CD1 3.51Å; F445-I449 HydrophobicContact CE2-CD1 4.24Å; F445-I449 HydrophobicContact CZ-CD1 3.61Å; F445-I449 WeakPolarHBondContact O-CG1 3.48Å; F445-I449 PolarHBondContact O-N 3.12Å; F445-K471 HydrophobicContact CE1-CG 4.23Å; F445-Y474 WeakPolarHBondContact CZ-O 3.46Å; F445-R486 HydrophobicContact CD2-CB 3.73Å; F445-R486 HydrophobicContact CD2-CG 3.91Å; F445-R486 HydrophobicContact CE2-CB 4.21Å; F445-R486 HydrophobicContact CE2-CG 4.23Å; F445-R486 HydrophobicContact CG-CB 4.43Å; F445-R486 HydrophobicContact CG-CG 4.3Å; F445-T489 WeakPolarHBondContact CE2-OG1 3.4Å; F445-L490 HydrophobicContact CD2-CD1 3.85Å; F445-L490 HydrophobicContact CD2-CD2 3.81Å; F445-L490 HydrophobicContact CD2-CG 3.53Å; F445-L490 HydrophobicContact CE2-CD2 3.85Å; F445-L490 HydrophobicContact CE2-CG 3.72Å
446	D	92.7	Very high	87.2	Confident	53 Å²	53	53.6 Å²	53.6	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-41	177.8	-81.8	15.8	0	0	0	112.2	A442 S450 K471	A442-D446 PolarHBondContact O-N 2.7Å; A442-D446 VanDerWaalsContact O-N 3.08Å; D446-S450 WeakPolarHBondContact O-CB 3.49Å; D446-S450 PolarHBondContact O-N 2.95Å; D446-S450 PolarHBondContact O-OG 3.22Å; D446-K471 VanDerWaalsContact OD1-CD 3.24Å; D446-K471 WeakPolarHBondContact OD1-CD 3.42Å; D446-K471 WeakPolarHBondContact OD1-CE 3.33Å; D446-K471 IonicContact OD1-NZ 3Å; D446-K471 PolarHBondContact OD1-NZ 3.19Å; D446-K471 WeakPolarHBondContact OD2-CE 3.36Å; D446-K471 IonicContact OD2-NZ 2.71Å; D446-K471 PolarHBondContact OD2-NZ 3.45Å
447	Y	92.8	Very high	88.5	Confident	151 Å²	151	50.6 Å²	50.6	59%	0.592	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-45.6	178	179.2	-116.4	0	0	0	112.5	A443 A444 F445 S450 N451	A443-Y447 VanDerWaalsContact O-CB 3.31Å; A443-Y447 WeakPolarHBondContact O-CB 3.4Å; A443-Y447 PolarHBondContact O-N 2.81Å; A444-Y447 PolarHBondContact O-N 2.93Å; F445-Y447 VanDerWaalsContact C-N 3.34Å; F445-Y447 PolarHBondContact O-N 3.48Å; Y447-S450 PolarHBondContact O-N 2.61Å; Y447-N451 WeakPolarHBondContact CE1-ND2 3.39Å; Y447-N451 WeakPolarHBondContact O-CB 3.45Å; Y447-N451 PolarHBondContact O-N 3.33Å; Y447-N451 PolarHBondContact OH-ND2 2.79Å
448	T	93.4	Very high	89.5	Confident	36 Å²	36	44.3 Å²	44.3	22%	0.221	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-40.1	179.7	-68.6	0	0	0	0	112.1	F430 A444 F445 F452 L490	F430-T448 HydrophobicContact CE1-CG2 3.65Å; F430-T448 HydrophobicContact CE2-CG2 4.13Å; F430-T448 HydrophobicContact CZ-CG2 3.35Å; A444-T448 VanDerWaalsContact O-CB 3.31Å; A444-T448 WeakPolarHBondContact O-CB 3.28Å; A444-T448 PolarHBondContact O-N 2.83Å; A444-T448 PolarHBondContact O-OG1 3.23Å; A444-T448 VanDerWaalsContact O-OG1 3.11Å; F445-T448 PolarHBondContact O-N 3.49Å; T448-F452 VanDerWaalsContact O-CB 3.29Å; T448-F452 WeakPolarHBondContact O-CB 3.27Å; T448-F452 PolarHBondContact O-N 2.87Å; T448-L490 HydrophobicContact CG2-CD1 4.08Å; T448-L490 HydrophobicContact CG2-CD2 4.05Å
449	I	93.3	Very high	89.5	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-42.1	173.2	-66.3	-174.1	0	0	0	111.2	F445 F452 V453 I470 K471 L490 L493	F445-I449 HydrophobicContact CD1-CD1 4.05Å; F445-I449 HydrophobicContact CE1-CD1 3.51Å; F445-I449 HydrophobicContact CE2-CD1 4.24Å; F445-I449 HydrophobicContact CZ-CD1 3.61Å; F445-I449 WeakPolarHBondContact O-CG1 3.48Å; F445-I449 PolarHBondContact O-N 3.12Å; I449-F452 PolarHBondContact O-N 2.8Å; I449-V453 HydrophobicContact CG2-CG2 4.46Å; I449-V453 WeakPolarHBondContact O-CG2 3.48Å; I449-V453 PolarHBondContact O-N 3.04Å; I449-I470 HydrophobicContact CG2-CB 4.26Å; I449-I470 HydrophobicContact CG2-CG2 3.79Å; I449-K471 HydrophobicContact CD1-CB 4.12Å; I449-K471 HydrophobicContact CG2-CB 4.4Å; I449-L490 HydrophobicContact CD1-CD2 4.14Å; I449-L490 HydrophobicContact CG1-CD2 3.65Å; I449-L493 HydrophobicContact CD1-CD1 3.79Å; I449-L493 HydrophobicContact CG1-CD1 3.71Å
450	S	90.9	Very high	88	Confident	23 Å²	23	48.4 Å²	48.4	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-51	178.5	-55	0	0	0	0	111.1	D446 Y447 F452 V453 D454 R467	D446-S450 WeakPolarHBondContact O-CB 3.49Å; D446-S450 PolarHBondContact O-N 2.95Å; D446-S450 PolarHBondContact O-OG 3.22Å; Y447-S450 PolarHBondContact O-N 2.61Å; S450-F452 VanDerWaalsContact C-N 3.32Å; S450-F452 PolarHBondContact O-N 3.42Å; S450-V453 PolarHBondContact O-N 2.55Å; S450-D454 PolarHBondContact O-N 2.87Å; S450-R467 WeakPolarHBondContact OG-CD 3Å; S450-R467 PolarHBondContact OG-NH1 2.99Å
451	N	91.6	Very high	86.1	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.193	31%	0.311	C	S	.	.	H	α-helix	trans	-56.1	-41.6	173.9	-82.4	-21.6	0	0	0	113.2	Y447 N455	Y447-N451 WeakPolarHBondContact CE1-ND2 3.39Å; Y447-N451 WeakPolarHBondContact O-CB 3.45Å; Y447-N451 PolarHBondContact O-N 3.33Å; Y447-N451 PolarHBondContact OH-ND2 2.79Å; N451-N455 WeakPolarHBondContact O-CB 3.15Å; N451-N455 PolarHBondContact O-N 3.27Å; N451-N455 VanDerWaalsContact O-N 3.15Å; N451-N455 PolarHBondContact O-ND2 3.1Å
452	F	93.1	Very high	84.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-48.6	178	170.6	-88.9	0	0	0	111.2	Y387 F430 T448 I449 S450 N455 L456 L493 F494 H497 W640	Y387-F452 HydrophobicContact CE2-CD2 4.41Å; F430-F452 HydrophobicContact CE2-CD2 4.39Å; F430-F452 HydrophobicContact CZ-CB 4.39Å; F430-F452 HydrophobicContact CZ-CD2 4.23Å; T448-F452 VanDerWaalsContact O-CB 3.29Å; T448-F452 WeakPolarHBondContact O-CB 3.27Å; T448-F452 PolarHBondContact O-N 2.87Å; I449-F452 PolarHBondContact O-N 2.8Å; S450-F452 VanDerWaalsContact C-N 3.32Å; S450-F452 PolarHBondContact O-N 3.42Å; F452-N455 PolarHBondContact O-N 3.11Å; F452-L456 HydrophobicContact CD1-CD1 4.18Å; F452-L456 HydrophobicContact CD2-CD1 3.79Å; F452-L456 HydrophobicContact CE1-CD1 3.71Å; F452-L456 HydrophobicContact CE2-CD1 3.28Å; F452-L456 HydrophobicContact CG-CD1 4.22Å; F452-L456 HydrophobicContact CZ-CD1 3.24Å; F452-L456 PolarHBondContact O-N 3.14Å; F452-L493 HydrophobicContact CD1-CD2 3.81Å; F452-L493 HydrophobicContact CD2-CD2 3.8Å; F452-L493 HydrophobicContact CE1-CD2 3.73Å; F452-L493 HydrophobicContact CE2-CD2 3.7Å; F452-L493 HydrophobicContact CG-CD2 3.85Å; F452-L493 HydrophobicContact CZ-CD2 3.66Å; F452-F494 AromaticContact CD2-CD2 3.9Å; F452-F494 HydrophobicContact CD2-CD2 3.9Å; F452-F494 HydrophobicContact CD2-CE2 4.32Å; F452-F494 AromaticContact CE2-CD2 3.72Å; F452-F494 HydrophobicContact CE2-CD2 3.72Å; F452-F494 HydrophobicContact CE2-CE2 4.2Å; F452-H497 HydrophobicContact CE2-CB 4.38Å; F452-H497 HydrophobicContact CZ-CB 3.7Å; F452-H497 AromaticContact CZ-CG 3.68Å; F452-H497 AromaticContact CZ-ND1 3.92Å; F452-W640 AromaticContact CE1-CH2 3.77Å; F452-W640 HydrophobicContact CE1-CH2 3.77Å; F452-W640 HydrophobicContact CE1-CZ2 4.41Å; F452-W640 HydrophobicContact CE1-CZ3 4.45Å; F452-W640 HydrophobicContact CZ-CH2 4.24Å
453	V	91.2	Very high	82.9	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-41.6	179.9	171.5	0	0	0	0	112.4	I449 S450 Y457 K463 L466 I470	I449-V453 HydrophobicContact CG2-CG2 4.46Å; I449-V453 WeakPolarHBondContact O-CG2 3.48Å; I449-V453 PolarHBondContact O-N 3.04Å; S450-V453 PolarHBondContact O-N 2.55Å; V453-Y457 HydrophobicContact CG1-CD2 4.31Å; V453-Y457 WeakPolarHBondContact O-CB 3.15Å; V453-Y457 PolarHBondContact O-N 2.74Å; V453-K463 HydrophobicContact CG1-CD 3.69Å; V453-L466 HydrophobicContact CG1-CD2 4.34Å; V453-I470 HydrophobicContact CG2-CD1 3.43Å; V453-I470 VanDerWaalsContact CG2-CD1 3.43Å
454	D	89.8	Confident	81.9	Confident	56 Å²	56	54.4 Å²	54.4	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-67.5	-38.3	-179.3	-70.8	-23.3	0	0	0	112.4	S450 G458	S450-D454 PolarHBondContact O-N 2.87Å; D454-G458 WeakPolarHBondContact O-CA 3.39Å; D454-G458 PolarHBondContact O-N 2.8Å
455	N	90.4	Very high	81.5	Confident	60 Å²	60	57 Å²	57	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-78.1	-34.6	-178	-80.4	-87.3	0	0	0	113.6	R386 Y387 H388 N451 F452	R386-N455 HydrophobicContact CB-CB 4.09Å; R386-N455 VanDerWaalsContact CB-OD1 3.27Å; R386-N455 WeakPolarHBondContact CB-OD1 3.31Å; Y387-N455 HydrophobicContact CD2-CB 3.8Å; Y387-N455 HydrophobicContact CE2-CB 3.64Å; H388-N455 PolarHBondContact CE1-O 3.22Å; N451-N455 WeakPolarHBondContact O-CB 3.15Å; N451-N455 PolarHBondContact O-N 3.27Å; N451-N455 VanDerWaalsContact O-N 3.15Å; N451-N455 PolarHBondContact O-ND2 3.1Å; F452-N455 PolarHBondContact O-N 3.11Å
456	L	89.7	Confident	81.2	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-83	-38.3	179.5	-75.6	167.6	0	0	0	113.1	Y387 F452	Y387-L456 HydrophobicContact CD2-CD1 4.39Å; Y387-L456 HydrophobicContact CD2-CD2 4.06Å; Y387-L456 HydrophobicContact CD2-CG 3.79Å; Y387-L456 HydrophobicContact CE2-CG 4.48Å; Y387-L456 HydrophobicContact CG-CD2 4.32Å; Y387-L456 HydrophobicContact CG-CG 4.48Å; F452-L456 HydrophobicContact CD1-CD1 4.18Å; F452-L456 HydrophobicContact CD2-CD1 3.79Å; F452-L456 HydrophobicContact CE1-CD1 3.71Å; F452-L456 HydrophobicContact CE2-CD1 3.28Å; F452-L456 HydrophobicContact CG-CD1 4.22Å; F452-L456 HydrophobicContact CZ-CD1 3.24Å; F452-L456 PolarHBondContact O-N 3.14Å
457	Y	86.4	Confident	81.1	Confident	53 Å²	53	56.6 Å²	56.6	21%	0.208	29%	0.287	C	S	.	.	H	α-helix	trans	-114.4	-8.1	-171.8	-53.9	-75.1	0	0	0	113.5	V453 K463 L466 H497 V644 H648	V453-Y457 HydrophobicContact CG1-CD2 4.31Å; V453-Y457 WeakPolarHBondContact O-CB 3.15Å; V453-Y457 PolarHBondContact O-N 2.74Å; Y457-K463 PolarHBondContact O-NZ 3.27Å; Y457-L466 HydrophobicContact CD2-CD2 3.99Å; Y457-L466 HydrophobicContact CE2-CD2 4.22Å; Y457-L466 HydrophobicContact CG-CD2 4.31Å; Y457-H497 AromaticContact CZ-NE2 3.8Å; Y457-H497 PolarHBondContact OH-CD2 2.69Å; Y457-H497 PolarHBondContact OH-NE2 2.97Å; Y457-V644 HydrophobicContact CE1-CG1 4.24Å; Y457-H648 AromaticContact CD1-ND1 3.99Å
458	G	81.1	Confident	81	Confident	32 Å²	32	52.8 Å²	52.8	33%	0.33	28%	0.275	S	S	.	.			trans	82	-166.4	-173.9	0	0	0	0	0	115.1	D454 K463	D454-G458 WeakPolarHBondContact O-CA 3.39Å; D454-G458 PolarHBondContact O-N 2.8Å; G458-K463 VanDerWaalsContact C-NZ 3.32Å; G458-K463 PolarHBondContact O-NZ 2.97Å
459	Y	67.6	Low	81	Confident	192 Å²	192	52.8 Å²	52.8	75%	0.753	28%	0.275	S	S	*	.			trans	-124.4	85.2	179	-168.4	-87.7	0	0	0	112.4
460	P	53.3	Low	81	Confident	48 Å²	48	52.7 Å²	52.7	31%	0.312	27%	0.274	S	S	.	.			trans	-88.3	149.5	169.5	34.5	-33	0	0	0	111.9	G462 K463	P460-G462 PolarHBondContact O-N 3.42Å; P460-G462 VanDerWaalsContact O-N 3.15Å; P460-K463 HydrophobicContact CG-CB 3.96Å; P460-K463 HydrophobicContact CG-CD 3.98Å; P460-K463 HydrophobicContact CG-CG 3.87Å; P460-K463 PolarHBondContact O-N 3.42Å
461	E	49.7	Very low	81.2	Confident	186 Å²	186	53.7 Å²	53.7	87%	0.869	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	113.1	172.3	-60.8	178.2	161.2	0	0	109.6
462	G	53.8	Low	81.4	Confident	40 Å²	40	57.1 Å²	57.1	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	117.6	-5.5	-176.3	0	0	0	0	0	115.7	P460 D464	P460-G462 PolarHBondContact O-N 3.42Å; P460-G462 VanDerWaalsContact O-N 3.15Å; G462-D464 VanDerWaalsContact C-N 3.26Å; G462-D464 PolarHBondContact O-N 3.02Å; G462-D464 VanDerWaalsContact O-N 3.12Å
463	K	61.6	Low	81.6	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.057	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-5.5	-170.9	-133.6	-167	-131.1	152.7	0	118	V453 Y457 G458 P460 I465 L466 R467	V453-K463 HydrophobicContact CG1-CD 3.69Å; Y457-K463 PolarHBondContact O-NZ 3.27Å; G458-K463 VanDerWaalsContact C-NZ 3.32Å; G458-K463 PolarHBondContact O-NZ 2.97Å; P460-K463 HydrophobicContact CG-CB 3.96Å; P460-K463 HydrophobicContact CG-CD 3.98Å; P460-K463 HydrophobicContact CG-CG 3.87Å; P460-K463 PolarHBondContact O-N 3.42Å; K463-I465 PolarHBondContact O-N 2.88Å; K463-I465 VanDerWaalsContact O-N 3.14Å; K463-L466 HydrophobicContact CD-CD2 4.18Å; K463-L466 HydrophobicContact CG-CB 4.12Å; K463-L466 HydrophobicContact CG-CD2 4.33Å; K463-L466 PolarHBondContact O-N 2.82Å; K463-R467 PolarHBondContact O-N 3.25Å; K463-R467 VanDerWaalsContact O-N 3.08Å
464	D	71.5	Confident	81.8	Confident	95 Å²	95	58.4 Å²	58.4	51%	0.508	30%	0.295	S	S	.	.	H	α-helix	trans	-55.4	-30.4	173.8	-80.3	-49.5	0	0	0	112.7	G462 L466 R467 E468	G462-D464 VanDerWaalsContact C-N 3.26Å; G462-D464 PolarHBondContact O-N 3.02Å; G462-D464 VanDerWaalsContact O-N 3.12Å; D464-L466 PolarHBondContact O-N 2.87Å; D464-R467 PolarHBondContact O-N 3.11Å; D464-R467 IonicContact OD1-CZ 2.84Å; D464-R467 VanDerWaalsContact OD1-CZ 3.23Å; D464-R467 IonicContact OD1-NE 2.99Å; D464-R467 PolarHBondContact OD1-NE 3.33Å; D464-R467 IonicContact OD1-NH2 3.63Å; D464-R467 PolarHBondContact OD1-NH2 3.49Å; D464-E468 WeakPolarHBondContact O-CB 3.39Å; D464-E468 PolarHBondContact O-N 3.46Å
465	I	84.6	Confident	82.1	Confident	93 Å²	93	56.6 Å²	56.6	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-47.9	175.5	-59.8	174.8	0	0	0	111	K463 T469 L647	K463-I465 PolarHBondContact O-N 2.88Å; K463-I465 VanDerWaalsContact O-N 3.14Å; I465-T469 WeakPolarHBondContact O-CB 3.16Å; I465-T469 PolarHBondContact O-N 2.98Å; I465-T469 PolarHBondContact O-OG1 3.47Å; I465-L647 HydrophobicContact CG2-CD2 4.11Å
466	L	87.5	Confident	82.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-43.1	178.1	179.8	60	0	0	0	111	V453 Y457 K463 D464 T469 I470 V644 L647	V453-L466 HydrophobicContact CG1-CD2 4.34Å; Y457-L466 HydrophobicContact CD2-CD2 3.99Å; Y457-L466 HydrophobicContact CE2-CD2 4.22Å; Y457-L466 HydrophobicContact CG-CD2 4.31Å; K463-L466 HydrophobicContact CD-CD2 4.18Å; K463-L466 HydrophobicContact CG-CB 4.12Å; K463-L466 HydrophobicContact CG-CD2 4.33Å; K463-L466 PolarHBondContact O-N 2.82Å; D464-L466 PolarHBondContact O-N 2.87Å; L466-T469 PolarHBondContact O-N 3.05Å; L466-I470 HydrophobicContact CD1-CD1 3.76Å; L466-I470 HydrophobicContact CD1-CG1 4.13Å; L466-I470 HydrophobicContact CG-CD1 3.82Å; L466-I470 VanDerWaalsContact O-CG1 3.31Å; L466-I470 WeakPolarHBondContact O-CG1 3.38Å; L466-I470 PolarHBondContact O-N 3.22Å; L466-V644 HydrophobicContact CD1-CB 4.28Å; L466-V644 HydrophobicContact CD1-CG1 3.84Å; L466-V644 HydrophobicContact CD1-CG2 3.81Å; L466-L647 HydrophobicContact CD1-CB 4.41Å; L466-L647 HydrophobicContact CD1-CD1 4.41Å
467	R	89.6	Confident	82.4	Confident	48 Å²	48	57.1 Å²	57.1	18%	0.181	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-50.3	-178.6	-161.6	-179.7	62.8	57.6	13	111.9	S450 K463 D464 K471	S450-R467 WeakPolarHBondContact OG-CD 3Å; S450-R467 PolarHBondContact OG-NH1 2.99Å; K463-R467 PolarHBondContact O-N 3.25Å; K463-R467 VanDerWaalsContact O-N 3.08Å; D464-R467 PolarHBondContact O-N 3.11Å; D464-R467 IonicContact OD1-CZ 2.84Å; D464-R467 VanDerWaalsContact OD1-CZ 3.23Å; D464-R467 IonicContact OD1-NE 2.99Å; D464-R467 PolarHBondContact OD1-NE 3.33Å; D464-R467 IonicContact OD1-NH2 3.63Å; D464-R467 PolarHBondContact OD1-NH2 3.49Å; R467-K471 WeakPolarHBondContact O-CB 3.38Å; R467-K471 PolarHBondContact O-N 3.5Å; R467-K471 VanDerWaalsContact O-N 3.09Å
468	E	91.2	Very high	82.7	Confident	72 Å²	72	57.6 Å²	57.6	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-73.5	-28.2	177.2	-64.6	-63.1	142	0	0	112.4	D464 K471 F472	D464-E468 WeakPolarHBondContact O-CB 3.39Å; D464-E468 PolarHBondContact O-N 3.46Å; E468-K471 IonicContact OE1-NZ 3.24Å; E468-K471 WeakPolarHBondContact OE2-CD 3.38Å; E468-K471 WeakPolarHBondContact OE2-CE 3.48Å; E468-K471 IonicContact OE2-NZ 2.7Å; E468-K471 PolarHBondContact OE2-NZ 2.89Å; E468-F472 VanDerWaalsContact O-CB 3.27Å; E468-F472 WeakPolarHBondContact O-CB 3.11Å; E468-F472 PolarHBondContact O-N 3.01Å
469	T	93.4	Very high	83.3	Confident	35 Å²	35	59 Å²	59	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-69.3	-43.1	173.2	-55.8	0	0	0	0	111.7	I465 L466 F472 M473 F639 L643 L647	I465-T469 WeakPolarHBondContact O-CB 3.16Å; I465-T469 PolarHBondContact O-N 2.98Å; I465-T469 PolarHBondContact O-OG1 3.47Å; L466-T469 PolarHBondContact O-N 3.05Å; T469-F472 PolarHBondContact O-N 2.92Å; T469-M473 HydrophobicContact CG2-CG 4.38Å; T469-M473 WeakPolarHBondContact O-CB 3.06Å; T469-M473 VanDerWaalsContact O-CG 3.31Å; T469-M473 WeakPolarHBondContact O-CG 3.43Å; T469-M473 PolarHBondContact O-N 3.48Å; T469-F639 HydrophobicContact CG2-CE2 3.83Å; T469-F639 HydrophobicContact CG2-CZ 4.39Å; T469-L643 HydrophobicContact CG2-CD2 4.47Å; T469-L647 HydrophobicContact CG2-CD1 3.97Å
470	I	94.1	Very high	84.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-48.6	174.3	-69.5	164.4	0	0	0	109.6	I449 V453 L466 F472 M473 Y474 L493 F639 W640	I449-I470 HydrophobicContact CG2-CB 4.26Å; I449-I470 HydrophobicContact CG2-CG2 3.79Å; V453-I470 HydrophobicContact CG2-CD1 3.43Å; V453-I470 VanDerWaalsContact CG2-CD1 3.43Å; L466-I470 HydrophobicContact CD1-CD1 3.76Å; L466-I470 HydrophobicContact CD1-CG1 4.13Å; L466-I470 HydrophobicContact CG-CD1 3.82Å; L466-I470 VanDerWaalsContact O-CG1 3.31Å; L466-I470 WeakPolarHBondContact O-CG1 3.38Å; L466-I470 PolarHBondContact O-N 3.22Å; I470-F472 VanDerWaalsContact C-N 3.32Å; I470-F472 PolarHBondContact O-N 3.35Å; I470-M473 PolarHBondContact O-N 3.11Å; I470-M473 VanDerWaalsContact O-N 3.12Å; I470-Y474 HydrophobicContact CG2-CD2 4.04Å; I470-Y474 HydrophobicContact CG2-CE2 4.47Å; I470-Y474 WeakPolarHBondContact O-CD2 3.36Å; I470-Y474 PolarHBondContact O-N 3.39Å; I470-L493 HydrophobicContact CG2-CD1 3.62Å; I470-L493 HydrophobicContact CG2-CG 4.36Å; I470-F639 HydrophobicContact CB-CZ 4.41Å; I470-F639 HydrophobicContact CG1-CE1 3.94Å; I470-F639 HydrophobicContact CG1-CZ 3.63Å; I470-W640 HydrophobicContact CD1-CH2 3.82Å; I470-W640 HydrophobicContact CD1-CZ3 3.78Å; I470-W640 HydrophobicContact CG1-CH2 3.85Å; I470-W640 HydrophobicContact CG1-CZ3 3.96Å; I470-W640 HydrophobicContact CG2-CH2 4.01Å
471	K	94.6	Very high	86.2	Confident	44 Å²	44	59.8 Å²	59.8	19%	0.191	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-42.8	174.4	172.8	176.2	158.6	-170.8	0	112.8	F445 D446 I449 R467 E468 Y474 T475	F445-K471 HydrophobicContact CE1-CG 4.23Å; D446-K471 VanDerWaalsContact OD1-CD 3.24Å; D446-K471 WeakPolarHBondContact OD1-CD 3.42Å; D446-K471 WeakPolarHBondContact OD1-CE 3.33Å; D446-K471 IonicContact OD1-NZ 3Å; D446-K471 PolarHBondContact OD1-NZ 3.19Å; D446-K471 WeakPolarHBondContact OD2-CE 3.36Å; D446-K471 IonicContact OD2-NZ 2.71Å; D446-K471 PolarHBondContact OD2-NZ 3.45Å; I449-K471 HydrophobicContact CD1-CB 4.12Å; I449-K471 HydrophobicContact CG2-CB 4.4Å; R467-K471 WeakPolarHBondContact O-CB 3.38Å; R467-K471 PolarHBondContact O-N 3.5Å; R467-K471 VanDerWaalsContact O-N 3.09Å; E468-K471 IonicContact OE1-NZ 3.24Å; E468-K471 WeakPolarHBondContact OE2-CD 3.38Å; E468-K471 WeakPolarHBondContact OE2-CE 3.48Å; E468-K471 IonicContact OE2-NZ 2.7Å; E468-K471 PolarHBondContact OE2-NZ 2.89Å; K471-Y474 PolarHBondContact O-N 2.93Å; K471-T475 WeakPolarHBondContact O-CB 3.05Å; K471-T475 PolarHBondContact O-N 3.11Å; K471-T475 PolarHBondContact O-OG1 2.76Å
472	F	95.5	Very high	88.1	Confident	107 Å²	107	53.5 Å²	53.5	47%	0.469	27%	0.274	S	S	.	.	H	α-helix	trans	-62.2	-44.2	174.6	173.8	-88.4	0	0	0	112.1	E468 T469 I470 Y474 T475 W477	E468-F472 VanDerWaalsContact O-CB 3.27Å; E468-F472 WeakPolarHBondContact O-CB 3.11Å; E468-F472 PolarHBondContact O-N 3.01Å; T469-F472 PolarHBondContact O-N 2.92Å; I470-F472 VanDerWaalsContact C-N 3.32Å; I470-F472 PolarHBondContact O-N 3.35Å; F472-Y474 VanDerWaalsContact C-N 3.33Å; F472-Y474 PolarHBondContact O-N 3.47Å; F472-T475 PolarHBondContact O-N 3.23Å; F472-W477 HydrophobicContact CB-CZ2 4.41Å; F472-W477 AromaticContact CD2-CE2 3.7Å; F472-W477 HydrophobicContact CD2-CH2 4.44Å; F472-W477 AromaticContact CD2-CZ2 3.45Å; F472-W477 HydrophobicContact CD2-CZ2 3.45Å; F472-W477 VanDerWaalsContact CD2-CZ2 3.45Å; F472-W477 AromaticContact CD2-NE1 3.68Å; F472-W477 AromaticContact CE2-CE2 3.89Å; F472-W477 HydrophobicContact CE2-CZ2 4.02Å; F472-W477 AromaticContact CE2-NE1 3.73Å; F472-W477 HydrophobicContact CG-CZ2 4.21Å; F472-W477 PolarHBondContact O-NE1 2.89Å
473	M	96.1	Very high	89.9	Confident	26 Å²	26	51.9 Å²	51.9	13%	0.128	26%	0.258	C	S	.	.	H	α-helix	trans	-72.2	-22.3	-178.1	-72.1	-63.7	-76.7	0	0	113.9	T469 I470 K636 F639 L819	T469-M473 HydrophobicContact CG2-CG 4.38Å; T469-M473 WeakPolarHBondContact O-CB 3.06Å; T469-M473 VanDerWaalsContact O-CG 3.31Å; T469-M473 WeakPolarHBondContact O-CG 3.43Å; T469-M473 PolarHBondContact O-N 3.48Å; I470-M473 PolarHBondContact O-N 3.11Å; I470-M473 VanDerWaalsContact O-N 3.12Å; M473-K636 PolarHBondContact O-NZ 2.86Å; M473-F639 HydrophobicContact CB-CE1 4.37Å; M473-F639 HydrophobicContact CB-CE2 4.4Å; M473-F639 HydrophobicContact CB-CZ 4.28Å; M473-F639 HydrophobicContact CE-CB 3.98Å; M473-F639 HydrophobicContact CE-CD2 3.98Å; M473-F639 HydrophobicContact CE-CG 4Å; M473-F639 HydrophobicContact CG-CD2 3.85Å; M473-F639 HydrophobicContact CG-CE2 3.74Å; M473-F639 HydrophobicContact CG-CG 4.32Å; M473-F639 HydrophobicContact CG-CZ 4.09Å; M473-L819 HydrophobicContact CE-CD1 4.03Å; M473-L819 HydrophobicContact CE-CD2 4.38Å; M473-L819 HydrophobicContact SD-CD2 4.12Å
474	Y	96.4	Very high	91.3	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-108.3	7.5	176.9	-70.2	-82	0	0	0	114.2	F445 I470 K471 F472 T489 L493 D496 K636 F639 W640	F445-Y474 WeakPolarHBondContact CZ-O 3.46Å; I470-Y474 HydrophobicContact CG2-CD2 4.04Å; I470-Y474 HydrophobicContact CG2-CE2 4.47Å; I470-Y474 WeakPolarHBondContact O-CD2 3.36Å; I470-Y474 PolarHBondContact O-N 3.39Å; K471-Y474 PolarHBondContact O-N 2.93Å; F472-Y474 VanDerWaalsContact C-N 3.33Å; F472-Y474 PolarHBondContact O-N 3.47Å; Y474-T489 WeakPolarHBondContact CD1-O 3.49Å; Y474-T489 WeakPolarHBondContact O-CB 3.17Å; Y474-T489 WeakPolarHBondContact O-CG2 3.13Å; Y474-T489 PolarHBondContact O-OG1 3.48Å; Y474-L493 HydrophobicContact CD1-CB 3.73Å; Y474-L493 HydrophobicContact CD1-CG 4.49Å; Y474-L493 HydrophobicContact CD2-CB 4.1Å; Y474-L493 HydrophobicContact CD2-CD1 3.81Å; Y474-L493 HydrophobicContact CD2-CG 3.96Å; Y474-L493 HydrophobicContact CE1-CB 3.92Å; Y474-L493 HydrophobicContact CE2-CB 4.28Å; Y474-L493 HydrophobicContact CE2-CD1 4.43Å; Y474-L493 HydrophobicContact CE2-CG 4.11Å; Y474-L493 HydrophobicContact CG-CB 3.85Å; Y474-L493 HydrophobicContact CG-CD1 3.98Å; Y474-L493 HydrophobicContact CG-CG 4.17Å; Y474-D496 WeakPolarHBondContact CE1-OD2 3.15Å; Y474-D496 WeakPolarHBondContact OH-CB 3.32Å; Y474-D496 PolarHBondContact OH-OD2 3.47Å; Y474-K636 HydrophobicContact CE1-CD 3.96Å; Y474-K636 HydrophobicContact CE1-CG 4.49Å; Y474-F639 HydrophobicContact CE2-CD1 4.26Å; Y474-F639 HydrophobicContact CE2-CE1 4.07Å; Y474-W640 HydrophobicContact CE2-CH2 4.4Å; Y474-W640 AromaticContact CE2-CZ2 3.63Å; Y474-W640 HydrophobicContact CE2-CZ2 3.63Å; Y474-W640 AromaticContact CZ-NE1 3.95Å; Y474-W640 PolarHBondContact OH-NE1 3.36Å
475	T	95.6	Very high	92.3	Very high	17 Å²	17	50.7 Å²	50.7	10%	0.104	25%	0.251	C	S	.	.	S	Bend	trans	-83.8	125.9	165	-62	0	0	0	0	109.3	K471 F472 W477 R480	K471-T475 WeakPolarHBondContact O-CB 3.05Å; K471-T475 PolarHBondContact O-N 3.11Å; K471-T475 PolarHBondContact O-OG1 2.76Å; F472-T475 PolarHBondContact O-N 3.23Å; T475-W477 HydrophobicContact CG2-CD2 3.79Å; T475-W477 HydrophobicContact CG2-CE3 4.06Å; T475-W477 HydrophobicContact CG2-CG 4.26Å; T475-W477 HydrophobicContact CG2-CH2 4.2Å; T475-W477 HydrophobicContact CG2-CZ2 3.92Å; T475-W477 HydrophobicContact CG2-CZ3 4.27Å; T475-W477 PolarHBondContact O-N 2.96Å; T475-W477 VanDerWaalsContact O-N 3.14Å; T475-R480 HydrophobicContact CG2-CB 4.26Å; T475-R480 HydrophobicContact CG2-CG 3.9Å
476	D	93.7	Very high	92.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.235	C	C	.	.			trans	-74.2	99.7	163.2	-175.9	-7.9	0	0	0	108.4	A478 D479 R480 M485 R812 V817	D476-A478 PolarHBondContact O-N 3.05Å; D476-A478 WeakPolarHBondContact OD1-CA 3.47Å; D476-A478 WeakPolarHBondContact OD1-CB 3.41Å; D476-A478 PolarHBondContact OD1-N 2.9Å; D476-D479 CarbonylContact O-C 3.51Å; D476-D479 PolarHBondContact O-N 3.36Å; D476-D479 VanDerWaalsContact O-N 3.15Å; D476-D479 PolarHBondContact OD1-N 3.45Å; D476-R480 WeakPolarHBondContact O-CA 3.38Å; D476-R480 PolarHBondContact O-N 2.85Å; D476-M485 HydrophobicContact CB-CG 3.55Å; D476-M485 HydrophobicContact CB-SD 4.36Å; D476-R812 IonicContact OD2-NH1 2.9Å; D476-V817 HydrophobicContact CB-CG1 3.83Å
477	W	93.3	Very high	93	Very high	91 Å²	91	48.4 Å²	48.4	35%	0.345	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.6	-179.7	-64.6	98.6	0	0	0	114.1	F472 T475 M820	F472-W477 HydrophobicContact CB-CZ2 4.41Å; F472-W477 AromaticContact CD2-CE2 3.7Å; F472-W477 HydrophobicContact CD2-CH2 4.44Å; F472-W477 AromaticContact CD2-CZ2 3.45Å; F472-W477 HydrophobicContact CD2-CZ2 3.45Å; F472-W477 VanDerWaalsContact CD2-CZ2 3.45Å; F472-W477 AromaticContact CD2-NE1 3.68Å; F472-W477 AromaticContact CE2-CE2 3.89Å; F472-W477 HydrophobicContact CE2-CZ2 4.02Å; F472-W477 AromaticContact CE2-NE1 3.73Å; F472-W477 HydrophobicContact CG-CZ2 4.21Å; F472-W477 PolarHBondContact O-NE1 2.89Å; T475-W477 HydrophobicContact CG2-CD2 3.79Å; T475-W477 HydrophobicContact CG2-CE3 4.06Å; T475-W477 HydrophobicContact CG2-CG 4.26Å; T475-W477 HydrophobicContact CG2-CH2 4.2Å; T475-W477 HydrophobicContact CG2-CZ2 3.92Å; T475-W477 HydrophobicContact CG2-CZ3 4.27Å; T475-W477 PolarHBondContact O-N 2.96Å; T475-W477 VanDerWaalsContact O-N 3.14Å; W477-M820 HydrophobicContact CB-CE 3.95Å
478	A	93.3	Very high	93.1	Very high	63 Å²	63	47.8 Å²	47.8	52%	0.521	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.2	172.9	0	0	0	0	0	113.5	D476	D476-A478 PolarHBondContact O-N 3.05Å; D476-A478 WeakPolarHBondContact OD1-CA 3.47Å; D476-A478 WeakPolarHBondContact OD1-CB 3.41Å; D476-A478 PolarHBondContact OD1-N 2.9Å
479	D	91.9	Very high	93.3	Very high	61 Å²	61	44.7 Å²	44.7	33%	0.326	22%	0.221	S	C	.	.	S	Bend	trans	-150.2	39.9	-179.9	-160.2	15.5	0	0	0	112.2	D476 D481 N482	D476-D479 CarbonylContact O-C 3.51Å; D476-D479 PolarHBondContact O-N 3.36Å; D476-D479 VanDerWaalsContact O-N 3.15Å; D476-D479 PolarHBondContact OD1-N 3.45Å; D479-D481 VanDerWaalsContact C-N 3.26Å; D479-D481 PolarHBondContact O-N 2.87Å; D479-D481 VanDerWaalsContact O-N 3.1Å; D479-N482 HydrophobicContact CB-CB 4.5Å; D479-N482 VanDerWaalsContact O-CB 3.28Å; D479-N482 WeakPolarHBondContact O-CB 3.4Å; D479-N482 PolarHBondContact O-N 2.96Å; D479-N482 VanDerWaalsContact O-N 3.14Å; D479-N482 WeakPolarHBondContact OD2-CB 3.46Å; D479-N482 PolarHBondContact OD2-ND2 2.93Å
480	R	91.1	Very high	93.4	Very high	137 Å²	137	43 Å²	43	52%	0.517	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.1	-165.9	172.6	177.4	171.5	-88.4	6.7	115	T475 D476 N482 R486	T475-R480 HydrophobicContact CG2-CB 4.26Å; T475-R480 HydrophobicContact CG2-CG 3.9Å; D476-R480 WeakPolarHBondContact O-CA 3.38Å; D476-R480 PolarHBondContact O-N 2.85Å; R480-N482 VanDerWaalsContact C-N 3.35Å; R480-R486 PolarHBondContact O-NH1 3.27Å
481	D	90.8	Very high	93.5	Very high	121 Å²	121	43.5 Å²	43.5	65%	0.647	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-7.9	-171	-58.5	-34.3	0	0	0	112.5	D479 R486	D479-D481 VanDerWaalsContact C-N 3.26Å; D479-D481 PolarHBondContact O-N 2.87Å; D479-D481 VanDerWaalsContact O-N 3.1Å; D481-R486 VanDerWaalsContact CA-NH1 3.32Å; D481-R486 PolarHBondContact O-NH1 3.16Å; D481-R486 PolarHBondContact O-NH2 3.45Å
482	N	91.6	Very high	93.6	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	21%	0.206	S	C	.	.			trans	-71.1	124.4	176.7	-176.3	-13.6	0	0	0	113.7	D479 R480 D484 M485 R486	D479-N482 HydrophobicContact CB-CB 4.5Å; D479-N482 VanDerWaalsContact O-CB 3.28Å; D479-N482 WeakPolarHBondContact O-CB 3.4Å; D479-N482 PolarHBondContact O-N 2.96Å; D479-N482 VanDerWaalsContact O-N 3.14Å; D479-N482 WeakPolarHBondContact OD2-CB 3.46Å; D479-N482 PolarHBondContact OD2-ND2 2.93Å; R480-N482 VanDerWaalsContact C-N 3.35Å; N482-D484 WeakPolarHBondContact OD1-CB 3.49Å; N482-D484 PolarHBondContact OD1-N 2.74Å; N482-M485 HydrophobicContact CB-CB 3.95Å; N482-M485 PolarHBondContact OD1-N 3.43Å; N482-R486 PolarHBondContact O-N 3.4Å
483	G	91.3	Very high	93.7	Very high	7 Å²	7	36.5 Å²	36.5	7%	0.072	18%	0.184	C	C	.	.	H	α-helix	trans	-73.7	-35.5	179.2	0	0	0	0	0	115.1	I440 M485 R486 R487	I440-G483 PolarHBondContact N-O 2.84Å; I440-G483 VanDerWaalsContact N-O 3.07Å; G483-M485 VanDerWaalsContact C-N 3.31Å; G483-M485 PolarHBondContact O-N 2.77Å; G483-R486 PolarHBondContact O-N 3.49Å; G483-R487 PolarHBondContact O-N 3.43Å
484	D	90.6	Very high	93.8	Very high	66 Å²	66	35.2 Å²	35.2	35%	0.353	18%	0.178	S	C	.	.	H	α-helix	trans	-62.8	-40.4	171.9	-85.8	-21.3	0	0	0	110.8	N482 R487 K488	N482-D484 WeakPolarHBondContact OD1-CB 3.49Å; N482-D484 PolarHBondContact OD1-N 2.74Å; D484-R487 PolarHBondContact O-N 3.32Å; D484-R487 IonicContact OD1-CZ 3.67Å; D484-R487 IonicContact OD1-NH1 3.92Å; D484-R487 PolarHBondContact OD1-NH1 2.91Å; D484-R487 IonicContact OD1-NH2 2.72Å; D484-R487 PolarHBondContact OD1-NH2 3.18Å; D484-K488 PolarHBondContact O-N 3.11Å
485	M	91.6	Very high	93.8	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-41.1	179.1	-167.6	57.8	76.4	0	0	111.3	D476 N482 G483 R487 K488 T489 R812 V817	D476-M485 HydrophobicContact CB-CG 3.55Å; D476-M485 HydrophobicContact CB-SD 4.36Å; N482-M485 HydrophobicContact CB-CB 3.95Å; N482-M485 PolarHBondContact OD1-N 3.43Å; G483-M485 VanDerWaalsContact C-N 3.31Å; G483-M485 PolarHBondContact O-N 2.77Å; M485-R487 VanDerWaalsContact C-N 3.33Å; M485-R487 PolarHBondContact O-N 2.87Å; M485-K488 WeakPolarHBondContact O-CB 3.35Å; M485-K488 PolarHBondContact O-N 3.42Å; M485-K488 HydrophobicContact SD-CB 4.47Å; M485-T489 HydrophobicContact CG-CG2 4.49Å; M485-T489 WeakPolarHBondContact O-CG2 3.46Å; M485-T489 PolarHBondContact O-N 3.01Å; M485-T489 PolarHBondContact O-OG1 2.58Å; M485-T489 HydrophobicContact SD-CG2 4.46Å; M485-R812 HydrophobicContact CE-CB 4.4Å; M485-V817 HydrophobicContact SD-CG2 4.33Å
486	R	93.6	Very high	94	Very high	34 Å²	34	34.3 Å²	34.3	13%	0.128	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-34.4	172.4	-72.8	-172.3	-56.9	-92.7	-7	113.1	I440 F445 R480 D481 N482 G483 L490	I440-R486 HydrophobicContact CB-CB 4.42Å; I440-R486 VanDerWaalsContact O-CZ 3.24Å; I440-R486 PolarHBondContact O-NE 3.08Å; I440-R486 PolarHBondContact O-NH2 2.9Å; F445-R486 HydrophobicContact CD2-CB 3.73Å; F445-R486 HydrophobicContact CD2-CG 3.91Å; F445-R486 HydrophobicContact CE2-CB 4.21Å; F445-R486 HydrophobicContact CE2-CG 4.23Å; F445-R486 HydrophobicContact CG-CB 4.43Å; F445-R486 HydrophobicContact CG-CG 4.3Å; R480-R486 PolarHBondContact O-NH1 3.27Å; D481-R486 VanDerWaalsContact CA-NH1 3.32Å; D481-R486 PolarHBondContact O-NH1 3.16Å; D481-R486 PolarHBondContact O-NH2 3.45Å; N482-R486 PolarHBondContact O-N 3.4Å; G483-R486 PolarHBondContact O-N 3.49Å; R486-L490 WeakPolarHBondContact O-CG 3.25Å; R486-L490 PolarHBondContact O-N 3.32Å; R486-L490 VanDerWaalsContact O-N 3.1Å
487	R	92.9	Very high	94.2	Very high	11 Å²	11	35.8 Å²	35.8	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-48.2	171.6	-167.3	171.2	68	-102.1	-9.4	111	V431 G439 I440 G483 D484 M485 T489 L490 L491 W534	V431-R487 HydrophobicContact CB-CG 4.23Å; V431-R487 HydrophobicContact CG2-CG 4.22Å; G439-R487 VanDerWaalsContact CA-NH1 3.29Å; I440-R487 HydrophobicContact CB-CB 4.47Å; I440-R487 HydrophobicContact CD1-CB 4.16Å; I440-R487 HydrophobicContact CD1-CG 4Å; I440-R487 HydrophobicContact CG1-CB 4Å; I440-R487 HydrophobicContact CG1-CG 4.13Å; G483-R487 PolarHBondContact O-N 3.43Å; D484-R487 PolarHBondContact O-N 3.32Å; D484-R487 IonicContact OD1-CZ 3.67Å; D484-R487 IonicContact OD1-NH1 3.92Å; D484-R487 PolarHBondContact OD1-NH1 2.91Å; D484-R487 IonicContact OD1-NH2 2.72Å; D484-R487 PolarHBondContact OD1-NH2 3.18Å; M485-R487 VanDerWaalsContact C-N 3.33Å; M485-R487 PolarHBondContact O-N 2.87Å; R487-T489 PolarHBondContact O-N 3.32Å; R487-L490 PolarHBondContact O-N 3.04Å; R487-L491 WeakPolarHBondContact O-CB 3.4Å; R487-L491 PolarHBondContact O-N 3.49Å; R487-L491 VanDerWaalsContact O-N 3.11Å; R487-W534 HydrophobicContact CG-CH2 4.28Å; R487-W534 HydrophobicContact CG-CZ3 4.36Å; R487-W534 VanDerWaalsContact NE-CD2 3.28Å
488	K	92.9	Very high	94.4	Very high	36 Å²	36	31.5 Å²	31.5	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-42.5	174.9	-76.6	-171	170.5	-134.5	0	113.3	D484 M485 A492 R812 P814	D484-K488 PolarHBondContact O-N 3.11Å; M485-K488 WeakPolarHBondContact O-CB 3.35Å; M485-K488 PolarHBondContact O-N 3.42Å; M485-K488 HydrophobicContact SD-CB 4.47Å; K488-A492 VanDerWaalsContact O-CB 3.24Å; K488-A492 WeakPolarHBondContact O-CB 3.45Å; K488-A492 PolarHBondContact O-N 2.8Å; K488-R812 PolarHBondContact NZ-O 3.25Å; K488-P814 HydrophobicContact CB-CG 4.5Å
489	T	95.4	Very high	94.7	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-78.6	-23.4	-176.5	61.1	0	0	0	0	114.1	F445 Y474 M485 R487 L493	F445-T489 WeakPolarHBondContact CE2-OG1 3.4Å; Y474-T489 WeakPolarHBondContact CD1-O 3.49Å; Y474-T489 WeakPolarHBondContact O-CB 3.17Å; Y474-T489 WeakPolarHBondContact O-CG2 3.13Å; Y474-T489 PolarHBondContact O-OG1 3.48Å; M485-T489 HydrophobicContact CG-CG2 4.49Å; M485-T489 WeakPolarHBondContact O-CG2 3.46Å; M485-T489 PolarHBondContact O-N 3.01Å; M485-T489 PolarHBondContact O-OG1 2.58Å; M485-T489 HydrophobicContact SD-CG2 4.46Å; R487-T489 PolarHBondContact O-N 3.32Å; T489-L493 VanDerWaalsContact O-CB 3.31Å; T489-L493 WeakPolarHBondContact O-CB 3.49Å; T489-L493 PolarHBondContact O-N 3.03Å
490	L	95.1	Very high	95	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-72.6	-44.4	167.2	-76.1	177.9	0	0	0	112.9	F430 V431 I440 F445 T448 I449 R486 R487 A492 L493 F494	F430-L490 HydrophobicContact CE1-CB 4.24Å; F430-L490 HydrophobicContact CE1-CD2 4.46Å; V431-L490 HydrophobicContact CG1-CB 3.74Å; I440-L490 HydrophobicContact CD1-CD1 3.68Å; I440-L490 HydrophobicContact CG2-CD1 3.95Å; F445-L490 HydrophobicContact CD2-CD1 3.85Å; F445-L490 HydrophobicContact CD2-CD2 3.81Å; F445-L490 HydrophobicContact CD2-CG 3.53Å; F445-L490 HydrophobicContact CE2-CD2 3.85Å; F445-L490 HydrophobicContact CE2-CG 3.72Å; T448-L490 HydrophobicContact CG2-CD1 4.08Å; T448-L490 HydrophobicContact CG2-CD2 4.05Å; I449-L490 HydrophobicContact CD1-CD2 4.14Å; I449-L490 HydrophobicContact CG1-CD2 3.65Å; R486-L490 WeakPolarHBondContact O-CG 3.25Å; R486-L490 PolarHBondContact O-N 3.32Å; R486-L490 VanDerWaalsContact O-N 3.1Å; R487-L490 PolarHBondContact O-N 3.04Å; L490-A492 VanDerWaalsContact C-N 3.26Å; L490-A492 PolarHBondContact O-N 3.47Å; L490-L493 HydrophobicContact CD2-CD1 4.41Å; L490-L493 WeakPolarHBondContact O-CB 3.37Å; L490-L493 PolarHBondContact O-N 2.72Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L490-F494 PolarHBondContact O-N 3.44Å; L490-F494 VanDerWaalsContact O-N 3.08Å
491	L	95.4	Very high	95.3	Very high	9 Å²	9	19.4 Å²	19.4	5%	0.047	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-43.7	173.3	-178.8	157.8	0	0	0	110.1	G425 L428 V431 R487 T495 W534	G425-L491 VanDerWaalsContact CA-CD2 3.5Å; L428-L491 HydrophobicContact CD1-CD1 4.2Å; V431-L491 HydrophobicContact CG1-CB 4.37Å; V431-L491 HydrophobicContact CG2-CB 3.95Å; V431-L491 HydrophobicContact CG2-CD1 3.93Å; V431-L491 HydrophobicContact CG2-CG 4.35Å; R487-L491 WeakPolarHBondContact O-CB 3.4Å; R487-L491 PolarHBondContact O-N 3.49Å; R487-L491 VanDerWaalsContact O-N 3.11Å; L491-T495 VanDerWaalsContact O-CB 3.23Å; L491-T495 WeakPolarHBondContact O-CB 3.41Å; L491-T495 PolarHBondContact O-N 3.28Å; L491-T495 PolarHBondContact O-OG1 3.31Å; L491-W534 HydrophobicContact CD1-CZ3 3.89Å
492	A	97.2	Very high	95.7	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.033	7%	0.072	C	C	.	.	H	α-helix	trans	-59.1	-47.8	171.6	0	0	0	0	0	112.9	K488 L490 F494 T495 D496 P814	K488-A492 VanDerWaalsContact O-CB 3.24Å; K488-A492 WeakPolarHBondContact O-CB 3.45Å; K488-A492 PolarHBondContact O-N 2.8Å; L490-A492 VanDerWaalsContact C-N 3.26Å; L490-A492 PolarHBondContact O-N 3.47Å; A492-F494 VanDerWaalsContact C-N 3.33Å; A492-F494 PolarHBondContact O-N 3.34Å; A492-T495 PolarHBondContact O-N 3.25Å; A492-D496 VanDerWaalsContact O-CB 3.23Å; A492-D496 WeakPolarHBondContact O-CB 3.49Å; A492-D496 PolarHBondContact O-N 3.46Å; A492-D496 VanDerWaalsContact O-OD2 3.11Å; A492-P814 HydrophobicContact CB-CB 4.12Å
493	L	97.8	Very high	96	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55	-47.2	179.3	177.3	163.2	0	0	0	112	I449 F452 I470 Y474 T489 L490 H497 W640	I449-L493 HydrophobicContact CD1-CD1 3.79Å; I449-L493 HydrophobicContact CG1-CD1 3.71Å; F452-L493 HydrophobicContact CD1-CD2 3.81Å; F452-L493 HydrophobicContact CD2-CD2 3.8Å; F452-L493 HydrophobicContact CE1-CD2 3.73Å; F452-L493 HydrophobicContact CE2-CD2 3.7Å; F452-L493 HydrophobicContact CG-CD2 3.85Å; F452-L493 HydrophobicContact CZ-CD2 3.66Å; I470-L493 HydrophobicContact CG2-CD1 3.62Å; I470-L493 HydrophobicContact CG2-CG 4.36Å; Y474-L493 HydrophobicContact CD1-CB 3.73Å; Y474-L493 HydrophobicContact CD1-CG 4.49Å; Y474-L493 HydrophobicContact CD2-CB 4.1Å; Y474-L493 HydrophobicContact CD2-CD1 3.81Å; Y474-L493 HydrophobicContact CD2-CG 3.96Å; Y474-L493 HydrophobicContact CE1-CB 3.92Å; Y474-L493 HydrophobicContact CE2-CB 4.28Å; Y474-L493 HydrophobicContact CE2-CD1 4.43Å; Y474-L493 HydrophobicContact CE2-CG 4.11Å; Y474-L493 HydrophobicContact CG-CB 3.85Å; Y474-L493 HydrophobicContact CG-CD1 3.98Å; Y474-L493 HydrophobicContact CG-CG 4.17Å; T489-L493 VanDerWaalsContact O-CB 3.31Å; T489-L493 WeakPolarHBondContact O-CB 3.49Å; T489-L493 PolarHBondContact O-N 3.03Å; L490-L493 HydrophobicContact CD2-CD1 4.41Å; L490-L493 WeakPolarHBondContact O-CB 3.37Å; L490-L493 PolarHBondContact O-N 2.72Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L493-H497 PolarHBondContact O-N 3.11Å; L493-H497 VanDerWaalsContact O-N 3.15Å; L493-W640 HydrophobicContact CG-CZ2 4.23Å
494	F	97.5	Very high	96.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-71.1	-42.5	179.9	-162.4	-111.2	0	0	0	111.8	I156 W338 Y387 F430 F452 L490 A492 D496 Q498 W499	I156-F494 HydrophobicContact CB-CE1 4.28Å; I156-F494 HydrophobicContact CB-CZ 4.41Å; I156-F494 HydrophobicContact CD1-CZ 4.27Å; W338-F494 HydrophobicContact CH2-CE1 4.34Å; W338-F494 HydrophobicContact CH2-CZ 4.41Å; W338-F494 HydrophobicContact CZ3-CE1 4.27Å; W338-F494 AromaticContact CZ3-CZ 3.93Å; W338-F494 HydrophobicContact CZ3-CZ 3.93Å; Y387-F494 AromaticContact CD1-CE2 3.44Å; Y387-F494 HydrophobicContact CD1-CE2 3.44Å; Y387-F494 VanDerWaalsContact CD1-CE2 3.44Å; Y387-F494 AromaticContact CD1-CZ 3.61Å; Y387-F494 HydrophobicContact CD1-CZ 3.61Å; Y387-F494 HydrophobicContact CE1-CD2 4.43Å; Y387-F494 AromaticContact CE1-CE2 3.39Å; Y387-F494 HydrophobicContact CE1-CE2 3.39Å; Y387-F494 AromaticContact CE1-CZ 3.79Å; Y387-F494 HydrophobicContact CE1-CZ 3.79Å; Y387-F494 HydrophobicContact CG-CE2 4.26Å; F430-F494 HydrophobicContact CB-CB 4.01Å; F430-F494 HydrophobicContact CB-CD1 3.56Å; F430-F494 HydrophobicContact CB-CD2 4.44Å; F430-F494 HydrophobicContact CB-CE1 4.13Å; F430-F494 HydrophobicContact CB-CG 3.75Å; F430-F494 HydrophobicContact CD1-CB 3.48Å; F430-F494 VanDerWaalsContact CD1-CB 3.48Å; F430-F494 HydrophobicContact CD1-CD2 4.29Å; F430-F494 AromaticContact CD1-CG 3.9Å; F430-F494 HydrophobicContact CD1-CG 3.9Å; F430-F494 HydrophobicContact CD2-CB 4.22Å; F430-F494 HydrophobicContact CD2-CD1 4.15Å; F430-F494 AromaticContact CD2-CD2 3.52Å; F430-F494 HydrophobicContact CD2-CD2 3.52Å; F430-F494 HydrophobicContact CD2-CE1 4.42Å; F430-F494 AromaticContact CD2-CE2 3.86Å; F430-F494 HydrophobicContact CD2-CE2 3.86Å; F430-F494 AromaticContact CD2-CG 3.7Å; F430-F494 HydrophobicContact CD2-CG 3.7Å; F430-F494 HydrophobicContact CD2-CZ 4.28Å; F430-F494 HydrophobicContact CE1-CB 3.89Å; F430-F494 HydrophobicContact CE1-CD2 4.41Å; F430-F494 HydrophobicContact CE1-CG 4.38Å; F430-F494 AromaticContact CE2-CD2 3.68Å; F430-F494 HydrophobicContact CE2-CD2 3.68Å; F430-F494 HydrophobicContact CE2-CE2 4.1Å; F430-F494 HydrophobicContact CE2-CG 4.22Å; F430-F494 HydrophobicContact CG-CB 3.65Å; F430-F494 AromaticContact CG-CD1 3.88Å; F430-F494 HydrophobicContact CG-CD1 3.88Å; F430-F494 AromaticContact CG-CD2 3.85Å; F430-F494 HydrophobicContact CG-CD2 3.85Å; F430-F494 HydrophobicContact CG-CE2 4.5Å; F430-F494 AromaticContact CG-CG 3.52Å; F430-F494 HydrophobicContact CG-CG 3.52Å; F430-F494 HydrophobicContact CZ-CB 4.42Å; F430-F494 HydrophobicContact CZ-CD2 4.12Å; F452-F494 AromaticContact CD2-CD2 3.9Å; F452-F494 HydrophobicContact CD2-CD2 3.9Å; F452-F494 HydrophobicContact CD2-CE2 4.32Å; F452-F494 AromaticContact CE2-CD2 3.72Å; F452-F494 HydrophobicContact CE2-CD2 3.72Å; F452-F494 HydrophobicContact CE2-CE2 4.2Å; L490-F494 PolarHBondContact O-N 3.44Å; L490-F494 VanDerWaalsContact O-N 3.08Å; A492-F494 VanDerWaalsContact C-N 3.33Å; A492-F494 PolarHBondContact O-N 3.34Å; F494-D496 VanDerWaalsContact C-N 3.34Å; F494-D496 PolarHBondContact O-N 2.76Å; F494-Q498 HydrophobicContact CD1-CG 4.36Å; F494-Q498 HydrophobicContact CD2-CG 3.98Å; F494-Q498 HydrophobicContact CE1-CG 4.11Å; F494-Q498 HydrophobicContact CE2-CG 3.69Å; F494-Q498 HydrophobicContact CG-CG 4.29Å; F494-Q498 HydrophobicContact CZ-CG 3.77Å; F494-Q498 WeakPolarHBondContact O-CB 3.38Å; F494-Q498 WeakPolarHBondContact O-CG 3.49Å; F494-Q498 PolarHBondContact O-N 2.97Å; F494-W499 HydrophobicContact CD1-CH2 4.21Å; F494-W499 AromaticContact CD1-CZ3 3.67Å; F494-W499 HydrophobicContact CD1-CZ3 3.67Å; F494-W499 AromaticContact CE1-CH2 3.98Å; F494-W499 HydrophobicContact CE1-CH2 3.98Å; F494-W499 AromaticContact CE1-CZ3 3.82Å; F494-W499 HydrophobicContact CE1-CZ3 3.82Å
495	T	98.4	Very high	96.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.6	-47	173.3	-59.2	0	0	0	0	111.3	E426 G427 L491 A492 W499 V500	E426-T495 HydrophobicContact CB-CG2 3.99Å; E426-T495 HydrophobicContact CG-CG2 3.91Å; E426-T495 PolarHBondContact N-OG1 3.11Å; G427-T495 PolarHBondContact N-OG1 2.94Å; L491-T495 VanDerWaalsContact O-CB 3.23Å; L491-T495 WeakPolarHBondContact O-CB 3.41Å; L491-T495 PolarHBondContact O-N 3.28Å; L491-T495 PolarHBondContact O-OG1 3.31Å; A492-T495 PolarHBondContact O-N 3.25Å; T495-W499 PolarHBondContact O-N 3.45Å; T495-W499 VanDerWaalsContact O-N 3.12Å; T495-V500 HydrophobicContact CG2-CG2 3.92Å; T495-V500 PolarHBondContact O-N 2.74Å
496	D	98.5	Very high	97	Very high	1 Å²	1	9 Å²	9	1%	0.005	5%	0.046	C	C	.	.	I	π-helix	trans	-66.2	-43.8	-176.4	-78.4	-39.1	0	0	0	112.7	Y474 A492 F494 A501 R633 K636	Y474-D496 WeakPolarHBondContact CE1-OD2 3.15Å; Y474-D496 WeakPolarHBondContact OH-CB 3.32Å; Y474-D496 PolarHBondContact OH-OD2 3.47Å; A492-D496 VanDerWaalsContact O-CB 3.23Å; A492-D496 WeakPolarHBondContact O-CB 3.49Å; A492-D496 PolarHBondContact O-N 3.46Å; A492-D496 VanDerWaalsContact O-OD2 3.11Å; F494-D496 VanDerWaalsContact C-N 3.34Å; F494-D496 PolarHBondContact O-N 2.76Å; D496-A501 VanDerWaalsContact O-CB 3.29Å; D496-A501 WeakPolarHBondContact O-CB 3.35Å; D496-A501 PolarHBondContact O-N 3.17Å; D496-R633 VanDerWaalsContact CG-NH2 3.32Å; D496-R633 IonicContact OD1-CZ 3.7Å; D496-R633 IonicContact OD1-NE 3.37Å; D496-R633 PolarHBondContact OD1-NE 3.26Å; D496-R633 IonicContact OD1-NH2 2.75Å; D496-R633 PolarHBondContact OD1-NH2 3.19Å; D496-R633 IonicContact OD2-CZ 3.67Å; D496-R633 IonicContact OD2-NE 2.81Å; D496-R633 IonicContact OD2-NH2 3.83Å; D496-R633 PolarHBondContact OD2-NH2 3.29Å; D496-K636 HydrophobicContact CB-CB 4.44Å
497	H	98.2	Very high	97.1	Very high	34 Å²	34	7.3 Å²	7.3	16%	0.157	4%	0.04	C	C	.	.	I	π-helix	trans	-76.9	-45.2	-178.8	-174.5	-91.7	0	0	0	112.7	F452 Y457 L493 P502 W640	F452-H497 HydrophobicContact CE2-CB 4.38Å; F452-H497 HydrophobicContact CZ-CB 3.7Å; F452-H497 AromaticContact CZ-CG 3.68Å; F452-H497 AromaticContact CZ-ND1 3.92Å; Y457-H497 AromaticContact CZ-NE2 3.8Å; Y457-H497 PolarHBondContact OH-CD2 2.69Å; Y457-H497 PolarHBondContact OH-NE2 2.97Å; L493-H497 PolarHBondContact O-N 3.11Å; L493-H497 VanDerWaalsContact O-N 3.15Å; H497-P502 WeakPolarHBondContact O-CD 3.45Å; H497-P502 WeakPolarHBondContact O-CG 3.12Å; H497-W640 HydrophobicContact CB-CD2 4.28Å; H497-W640 HydrophobicContact CB-CZ2 3.98Å; H497-W640 AromaticContact CD2-CD2 3.76Å; H497-W640 AromaticContact CD2-CE3 3.6Å; H497-W640 AromaticContact CD2-CZ3 3.87Å
498	Q	97.8	Very high	97.3	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.055	C	C	.	.	I	π-helix	trans	-82.6	-28.2	-170.8	-62.9	-56.8	118.3	0	0	113.7	S336 S337 W338 F494	S336-Q498 WeakPolarHBondContact CB-O 3.39Å; S336-Q498 PolarHBondContact OG-O 3.02Å; S337-Q498 PolarHBondContact OG-NE2 3.28Å; W338-Q498 HydrophobicContact CH2-CB 3.43Å; W338-Q498 VanDerWaalsContact CH2-CB 3.43Å; W338-Q498 HydrophobicContact CH2-CG 3.68Å; W338-Q498 HydrophobicContact CZ2-CB 3.8Å; W338-Q498 HydrophobicContact CZ2-CG 4.44Å; W338-Q498 HydrophobicContact CZ3-CB 4.01Å; W338-Q498 HydrophobicContact CZ3-CG 3.74Å; F494-Q498 HydrophobicContact CD1-CG 4.36Å; F494-Q498 HydrophobicContact CD2-CG 3.98Å; F494-Q498 HydrophobicContact CE1-CG 4.11Å; F494-Q498 HydrophobicContact CE2-CG 3.69Å; F494-Q498 HydrophobicContact CG-CG 4.29Å; F494-Q498 HydrophobicContact CZ-CG 3.77Å; F494-Q498 WeakPolarHBondContact O-CB 3.38Å; F494-Q498 WeakPolarHBondContact O-CG 3.49Å; F494-Q498 PolarHBondContact O-N 2.97Å
499	W	98.6	Very high	97.4	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.015	5%	0.053	C	C	.	.	I	π-helix	trans	-124	-55.2	-175.4	-67.7	-89.7	0	0	0	113.5	S331 W338 V422 E426 F494 T495 A503 H539	S331-W499 PolarHBondContact O-NE1 3.12Å; S331-W499 VanDerWaalsContact O-NE1 3.11Å; W338-W499 HydrophobicContact CH2-CD2 4.33Å; W338-W499 AromaticContact CH2-CE2 3.95Å; W338-W499 HydrophobicContact CH2-CE3 4.28Å; W338-W499 AromaticContact CH2-CH2 3.59Å; W338-W499 HydrophobicContact CH2-CH2 3.59Å; W338-W499 AromaticContact CH2-CZ2 3.58Å; W338-W499 HydrophobicContact CH2-CZ2 3.58Å; W338-W499 AromaticContact CH2-CZ3 3.93Å; W338-W499 HydrophobicContact CH2-CZ3 3.93Å; W338-W499 HydrophobicContact CZ2-CD2 4.14Å; W338-W499 AromaticContact CZ2-CE2 3.66Å; W338-W499 HydrophobicContact CZ2-CH2 4.16Å; W338-W499 AromaticContact CZ2-CZ2 3.68Å; W338-W499 HydrophobicContact CZ2-CZ2 3.68Å; W338-W499 AromaticContact CZ2-NE1 3.99Å; V422-W499 HydrophobicContact CG1-CB 4.01Å; E426-W499 HydrophobicContact CB-CD2 3.42Å; E426-W499 VanDerWaalsContact CB-CD2 3.42Å; E426-W499 HydrophobicContact CB-CE3 3.37Å; E426-W499 HydrophobicContact CB-CG 4Å; E426-W499 HydrophobicContact CB-CH2 3.87Å; E426-W499 HydrophobicContact CB-CZ2 3.94Å; E426-W499 HydrophobicContact CB-CZ3 3.6Å; E426-W499 HydrophobicContact CG-CB 3.94Å; E426-W499 HydrophobicContact CG-CD2 3.72Å; E426-W499 HydrophobicContact CG-CE3 4.06Å; E426-W499 HydrophobicContact CG-CG 3.71Å; F494-W499 HydrophobicContact CD1-CH2 4.21Å; F494-W499 AromaticContact CD1-CZ3 3.67Å; F494-W499 HydrophobicContact CD1-CZ3 3.67Å; F494-W499 AromaticContact CE1-CH2 3.98Å; F494-W499 HydrophobicContact CE1-CH2 3.98Å; F494-W499 AromaticContact CE1-CZ3 3.82Å; F494-W499 HydrophobicContact CE1-CZ3 3.82Å; T495-W499 PolarHBondContact O-N 3.45Å; T495-W499 VanDerWaalsContact O-N 3.12Å; W499-A503 WeakPolarHBondContact O-CB 3.37Å; W499-A503 PolarHBondContact O-N 3.02Å; W499-H539 AromaticContact CE2-ND1 3.88Å; W499-H539 HydrophobicContact CZ2-CB 4.3Å; W499-H539 AromaticContact CZ2-CG 3.93Å; W499-H539 AromaticContact CZ2-ND1 3.93Å; W499-H539 AromaticContact NE1-CE1 3.52Å; W499-H539 AromaticContact NE1-ND1 3.47Å; W499-H539 PolarHBondContact NE1-ND1 2.94Å
500	V	98.7	Very high	97.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-68.1	-52.2	-168.2	-172.6	0	0	0	0	112.5	V422 T495 A503 V504 Y632 V637	V422-V500 HydrophobicContact CG2-CG2 4.21Å; T495-V500 HydrophobicContact CG2-CG2 3.92Å; T495-V500 PolarHBondContact O-N 2.74Å; V500-A503 PolarHBondContact O-N 3.22Å; V500-V504 HydrophobicContact CG1-CG2 4.29Å; V500-V504 WeakPolarHBondContact O-CG2 3.41Å; V500-V504 PolarHBondContact O-N 3.31Å; V500-Y632 HydrophobicContact CB-CE1 4.46Å; V500-Y632 HydrophobicContact CG1-CD1 3.62Å; V500-Y632 HydrophobicContact CG1-CE1 3.51Å; V500-Y632 HydrophobicContact CG2-CE1 4.07Å; V500-V637 HydrophobicContact CG1-CG2 3.91Å
501	A	98.5	Very high	97.3	Very high	3 Å²	3	10.6 Å²	10.6	3%	0.025	6%	0.058	C	C	.	.	H	α-helix	trans	-63.4	-45.4	-179.4	0	0	0	0	0	112.1	D496 V504 A505 W640 L641	D496-A501 VanDerWaalsContact O-CB 3.29Å; D496-A501 WeakPolarHBondContact O-CB 3.35Å; D496-A501 PolarHBondContact O-N 3.17Å; A501-V504 PolarHBondContact O-N 2.97Å; A501-A505 WeakPolarHBondContact O-CB 3.34Å; A501-A505 PolarHBondContact O-N 3.4Å; A501-W640 HydrophobicContact CB-CB 3.84Å; A501-W640 HydrophobicContact CB-CG 4.35Å; A501-L641 HydrophobicContact CB-CD2 4.11Å; A501-L641 HydrophobicContact CB-CG 4.21Å
502	P	98.4	Very high	97.2	Very high	12 Å²	12	14.7 Å²	14.7	8%	0.078	8%	0.076	C	C	.	.	H	α-helix	trans	-52.8	-52.1	168.1	-31.9	38.6	0	0	0	113.8	T333 I335 H497 V504 A505 T506	T333-P502 HydrophobicContact CG2-CB 3.9Å; T333-P502 WeakPolarHBondContact OG1-CB 3.46Å; I335-P502 HydrophobicContact CG1-CB 4.03Å; H497-P502 WeakPolarHBondContact O-CD 3.45Å; H497-P502 WeakPolarHBondContact O-CG 3.12Å; P502-V504 VanDerWaalsContact C-N 3.35Å; P502-V504 PolarHBondContact O-N 2.59Å; P502-A505 PolarHBondContact O-N 3.33Å; P502-T506 PolarHBondContact O-N 3.49Å; P502-T506 PolarHBondContact O-OG1 3.04Å
503	A	98.6	Very high	97	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.017	9%	0.091	C	C	.	.	H	α-helix	trans	-63	-39.9	-177	0	0	0	0	0	112.3	T333 I420 V422 W499 V500 A507 F519	T333-A503 HydrophobicContact CG2-CB 4.23Å; I420-A503 HydrophobicContact CD1-CB 4.27Å; I420-A503 HydrophobicContact CG1-CB 4.38Å; V422-A503 HydrophobicContact CG1-CB 3.74Å; W499-A503 WeakPolarHBondContact O-CB 3.37Å; W499-A503 PolarHBondContact O-N 3.02Å; V500-A503 PolarHBondContact O-N 3.22Å; A503-A507 WeakPolarHBondContact O-CB 3.37Å; A503-A507 PolarHBondContact O-N 3.19Å; A503-F519 HydrophobicContact CB-CE2 4.09Å; A503-F519 HydrophobicContact CB-CZ 4.07Å
504	V	98.2	Very high	96.6	Very high	16 Å²	16	26.7 Å²	26.7	10%	0.097	13%	0.131	C	C	.	.	H	α-helix	trans	-72.4	-32.3	176.8	178	0	0	0	0	111.7	V500 A501 P502 K508 F519 V637	V500-V504 HydrophobicContact CG1-CG2 4.29Å; V500-V504 WeakPolarHBondContact O-CG2 3.41Å; V500-V504 PolarHBondContact O-N 3.31Å; A501-V504 PolarHBondContact O-N 2.97Å; P502-V504 VanDerWaalsContact C-N 3.35Å; P502-V504 PolarHBondContact O-N 2.59Å; V504-K508 WeakPolarHBondContact O-CB 3.4Å; V504-K508 PolarHBondContact O-N 3.07Å; V504-F519 HydrophobicContact CG2-CE2 3.96Å; V504-F519 HydrophobicContact CG2-CZ 3.74Å; V504-V637 HydrophobicContact CB-CG1 4.04Å; V504-V637 HydrophobicContact CG1-CG1 3.86Å; V504-V637 HydrophobicContact CG2-CG2 4.35Å
505	A	97.3	Very high	96.4	Very high	14 Å²	14	27.3 Å²	27.3	12%	0.116	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-49.7	172.8	0	0	0	0	0	111.6	I335 A501 P502 A507 K508 L509 L641	I335-A505 HydrophobicContact CD1-CB 3.97Å; A501-A505 WeakPolarHBondContact O-CB 3.34Å; A501-A505 PolarHBondContact O-N 3.4Å; P502-A505 PolarHBondContact O-N 3.33Å; A505-A507 PolarHBondContact O-N 2.79Å; A505-K508 WeakPolarHBondContact O-CB 3.2Å; A505-K508 PolarHBondContact O-N 3.41Å; A505-L509 WeakPolarHBondContact O-CG 3.44Å; A505-L509 PolarHBondContact O-N 2.9Å; A505-L641 HydrophobicContact CB-CD1 3.91Å; A505-L641 HydrophobicContact CB-CD2 4.05Å
506	T	97.4	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57	-49.3	173.2	-63.1	0	0	0	0	111.5	N312 M408 I420 P502 K508 L509 H510	N312-T506 WeakPolarHBondContact OD1-CG2 3.43Å; M408-T506 HydrophobicContact CE-CG2 3.75Å; M408-T506 HydrophobicContact SD-CG2 4.12Å; I420-T506 HydrophobicContact CD1-CG2 3.85Å; P502-T506 PolarHBondContact O-N 3.49Å; P502-T506 PolarHBondContact O-OG1 3.04Å; T506-K508 VanDerWaalsContact C-N 3.32Å; T506-K508 PolarHBondContact O-N 3.08Å; T506-L509 PolarHBondContact O-N 2.96Å; T506-H510 PolarHBondContact O-CD2 3.19Å; T506-H510 PolarHBondContact O-N 3.41Å
507	A	97.1	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-37.8	178.6	0	0	0	0	0	113.2	I420 A503 A505 A511 V517 F519 F612	I420-A507 HydrophobicContact CG2-CB 3.95Å; A503-A507 WeakPolarHBondContact O-CB 3.37Å; A503-A507 PolarHBondContact O-N 3.19Å; A505-A507 PolarHBondContact O-N 2.79Å; A507-A511 WeakPolarHBondContact O-CB 3.44Å; A507-A511 PolarHBondContact O-N 2.85Å; A507-V517 HydrophobicContact CB-CG1 3.99Å; A507-F519 HydrophobicContact CB-CD2 3.63Å; A507-F519 HydrophobicContact CB-CE2 3.94Å; A507-F612 HydrophobicContact CB-CD1 4.21Å; A507-F612 HydrophobicContact CB-CE1 3.95Å; A507-F612 HydrophobicContact CB-CE2 4.47Å; A507-F612 HydrophobicContact CB-CZ 4.08Å; A507-F612 VanDerWaalsContact O-CE1 3.31Å; A507-F612 WeakPolarHBondContact O-CE1 3.48Å
508	K	95.9	Very high	96.2	Very high	83 Å²	83	27.4 Å²	27.4	36%	0.361	14%	0.139	S	C	.	.	H	α-helix	trans	-62.3	-54.4	173.9	179.3	-168.9	165.7	-164.3	0	110.6	V504 A505 T506 H510 A511 E512 P614	V504-K508 WeakPolarHBondContact O-CB 3.4Å; V504-K508 PolarHBondContact O-N 3.07Å; A505-K508 WeakPolarHBondContact O-CB 3.2Å; A505-K508 PolarHBondContact O-N 3.41Å; T506-K508 VanDerWaalsContact C-N 3.32Å; T506-K508 PolarHBondContact O-N 3.08Å; K508-H510 PolarHBondContact O-N 3Å; K508-A511 PolarHBondContact O-N 3.22Å; K508-E512 WeakPolarHBondContact CE-OE1 3.23Å; K508-E512 VanDerWaalsContact CE-OE2 3.26Å; K508-E512 WeakPolarHBondContact CE-OE2 3.27Å; K508-E512 HydrophobicContact CG-CG 4.34Å; K508-E512 IonicContact NZ-OE1 3.86Å; K508-E512 WeakPolarHBondContact O-CG 3.43Å; K508-E512 PolarHBondContact O-N 3.26Å; K508-P614 HydrophobicContact CG-CB 4.48Å
509	L	94.8	Very high	96.3	Very high	24 Å²	24	27.4 Å²	27.4	13%	0.126	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-47.5	-177.1	-69.2	168.4	0	0	0	111.1	M408 F413 A505 T506 A511 E512 F513	M408-L509 HydrophobicContact CB-CD1 3.67Å; F413-L509 HydrophobicContact CE1-CB 4.38Å; F413-L509 HydrophobicContact CZ-CB 4.42Å; A505-L509 WeakPolarHBondContact O-CG 3.44Å; A505-L509 PolarHBondContact O-N 2.9Å; T506-L509 PolarHBondContact O-N 2.96Å; L509-A511 VanDerWaalsContact C-N 3.29Å; L509-A511 PolarHBondContact O-N 3.2Å; L509-E512 PolarHBondContact O-N 2.9Å; L509-E512 VanDerWaalsContact O-N 3.15Å; L509-F513 WeakPolarHBondContact O-CD2 3.36Å; L509-F513 PolarHBondContact O-N 3.11Å
510	H	94.8	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-54.5	-43.1	175.2	-88.3	-89	0	0	0	113.1	F413 I418 T506 K508 F513 Q514 S515 V517	F413-H510 AromaticContact CD2-CE1 3.48Å; F413-H510 VanDerWaalsContact CD2-CE1 3.48Å; F413-H510 WeakPolarHBondContact CD2-CE1 3.44Å; F413-H510 AromaticContact CD2-ND1 3.42Å; F413-H510 WeakPolarHBondContact CD2-ND1 3.35Å; F413-H510 HydrophobicContact CE2-CB 4.3Å; F413-H510 AromaticContact CE2-CG 3.89Å; F413-H510 AromaticContact CE2-ND1 3.64Å; F413-H510 AromaticContact CG-CE1 3.64Å; I418-H510 HydrophobicContact CG2-CB 4.09Å; T506-H510 PolarHBondContact O-CD2 3.19Å; T506-H510 PolarHBondContact O-N 3.41Å; K508-H510 PolarHBondContact O-N 3Å; H510-F513 CarbonylContact O-C 3.47Å; H510-Q514 PolarHBondContact O-N 3.47Å; H510-S515 VanDerWaalsContact O-CB 3.29Å; H510-S515 WeakPolarHBondContact O-CB 3.42Å; H510-S515 PolarHBondContact O-N 3.06Å; H510-V517 HydrophobicContact CB-CG2 3.56Å
511	A	94.4	Very high	96.3	Very high	16 Å²	16	27.2 Å²	27.2	13%	0.132	14%	0.138	C	C	.	.	H	α-helix	trans	-77.5	-25.4	-179.8	0	0	0	0	0	113.8	A507 K508 L509 Q514 V517 F612 P614	A507-A511 WeakPolarHBondContact O-CB 3.44Å; A507-A511 PolarHBondContact O-N 2.85Å; K508-A511 PolarHBondContact O-N 3.22Å; L509-A511 VanDerWaalsContact C-N 3.29Å; L509-A511 PolarHBondContact O-N 3.2Å; A511-Q514 PolarHBondContact O-N 3.42Å; A511-V517 HydrophobicContact CB-CB 4.4Å; A511-V517 HydrophobicContact CB-CG2 3.82Å; A511-F612 HydrophobicContact CB-CD1 4.03Å; A511-F612 HydrophobicContact CB-CE1 4.27Å; A511-P614 HydrophobicContact CB-CG 3.91Å
512	E	93.3	Very high	96.3	Very high	94 Å²	94	27.1 Å²	27.1	44%	0.439	14%	0.137	S	C	.	.	H	α-helix	trans	-69.5	-39.2	171.6	-74.4	177.5	160.2	0	0	111	K508 L509 Q514 P614	K508-E512 WeakPolarHBondContact CE-OE1 3.23Å; K508-E512 VanDerWaalsContact CE-OE2 3.26Å; K508-E512 WeakPolarHBondContact CE-OE2 3.27Å; K508-E512 HydrophobicContact CG-CG 4.34Å; K508-E512 IonicContact NZ-OE1 3.86Å; K508-E512 WeakPolarHBondContact O-CG 3.43Å; K508-E512 PolarHBondContact O-N 3.26Å; L509-E512 PolarHBondContact O-N 2.9Å; L509-E512 VanDerWaalsContact O-N 3.15Å; E512-Q514 PolarHBondContact O-N 2.88Å; E512-P614 HydrophobicContact CB-CG 4.4Å; E512-P614 HydrophobicContact CG-CB 3.8Å; E512-P614 HydrophobicContact CG-CG 3.41Å; E512-P614 VanDerWaalsContact CG-CG 3.41Å
513	F	92.1	Very high	96.2	Very high	76 Å²	76	28.1 Å²	28.1	33%	0.333	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	27.6	168.9	-72.9	-88.5	0	0	0	113.5	Q410 F413 L414 L509 H510 S515	Q410-F513 WeakPolarHBondContact O-CE1 3.3Å; Q410-F513 WeakPolarHBondContact O-CZ 3.48Å; F413-F513 HydrophobicContact CE1-CD2 4.36Å; F413-F513 HydrophobicContact CE2-CB 3.64Å; F413-F513 HydrophobicContact CE2-CD2 4.4Å; F413-F513 HydrophobicContact CE2-CG 4.24Å; F413-F513 HydrophobicContact CZ-CB 3.75Å; F413-F513 AromaticContact CZ-CD2 3.63Å; F413-F513 HydrophobicContact CZ-CD2 3.63Å; F413-F513 HydrophobicContact CZ-CE2 4.49Å; F413-F513 AromaticContact CZ-CG 3.92Å; F413-F513 HydrophobicContact CZ-CG 3.92Å; L414-F513 HydrophobicContact CD2-CB 4.25Å; L414-F513 HydrophobicContact CD2-CD1 4.15Å; L509-F513 WeakPolarHBondContact O-CD2 3.36Å; L509-F513 PolarHBondContact O-N 3.11Å; H510-F513 CarbonylContact O-C 3.47Å; F513-S515 PolarHBondContact O-N 2.95Å
514	Q	90.1	Very high	96.1	Very high	180 Å²	180	29.3 Å²	29.3	84%	0.841	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	9.9	170.7	-53.3	-173.4	3.5	0	0	117	H510 A511 E512	H510-Q514 PolarHBondContact O-N 3.47Å; A511-Q514 PolarHBondContact O-N 3.42Å; E512-Q514 PolarHBondContact O-N 2.88Å
515	S	92.5	Very high	95.9	Very high	13 Å²	13	30.1 Å²	30.1	9%	0.091	15%	0.147	C	C	.	.			trans	-71.9	141	176.4	-58.2	0	0	0	0	110.4	H510 F513 V517	H510-S515 VanDerWaalsContact O-CB 3.29Å; H510-S515 WeakPolarHBondContact O-CB 3.42Å; H510-S515 PolarHBondContact O-N 3.06Å; F513-S515 PolarHBondContact O-N 2.95Å; S515-V517 WeakPolarHBondContact O-CG2 3.48Å; S515-V517 PolarHBondContact O-N 3.38Å
516	P	95.6	Very high	95.5	Very high	35 Å²	35	30.3 Å²	30.3	23%	0.227	15%	0.148	C	C	.	.			trans	-67.3	115.4	177.5	-26.5	39.4	0	0	0	112.4	D417 I418	D417-P516 WeakPolarHBondContact OD1-CB 3.3Å; D417-P516 WeakPolarHBondContact OD1-CG 3.38Å; I418-P516 PolarHBondContact N-O 2.95Å
517	V	97.8	Very high	94.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.4	179.3	-173	0	0	0	0	111.2	I418 I420 A507 H510 A511 S515 K611 F612	I418-V517 HydrophobicContact CG2-CB 4.31Å; I418-V517 HydrophobicContact CG2-CG1 4.25Å; I418-V517 HydrophobicContact CG2-CG2 3.8Å; I418-V517 CarbonylContact O-C 3.55Å; I418-V517 WeakPolarHBondContact O-CA 3.42Å; I420-V517 HydrophobicContact CG2-CG1 4.08Å; A507-V517 HydrophobicContact CB-CG1 3.99Å; H510-V517 HydrophobicContact CB-CG2 3.56Å; A511-V517 HydrophobicContact CB-CB 4.4Å; A511-V517 HydrophobicContact CB-CG2 3.82Å; S515-V517 WeakPolarHBondContact O-CG2 3.48Å; S515-V517 PolarHBondContact O-N 3.38Å; V517-K611 WeakPolarHBondContact O-CA 3.25Å; V517-F612 HydrophobicContact CB-CB 4.07Å; V517-F612 HydrophobicContact CB-CD1 4.19Å; V517-F612 HydrophobicContact CG1-CB 3.87Å; V517-F612 HydrophobicContact CG1-CD1 3.96Å; V517-F612 HydrophobicContact CG1-CG 4.14Å; V517-F612 PolarHBondContact O-N 3.46Å
518	Y	98.7	Very high	93.8	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.1	167.5	-68	-92.5	0	0	0	110	I418 L419 I420 F580 G584 D585 P586 W609 K611	I418-Y518 PolarHBondContact O-N 3.38Å; L419-Y518 WeakPolarHBondContact CA-O 3.44Å; I420-Y518 PolarHBondContact N-O 3.18Å; Y518-F580 HydrophobicContact CD2-CD2 4.26Å; Y518-F580 HydrophobicContact CD2-CE2 4.04Å; Y518-F580 HydrophobicContact CE2-CE2 4.42Å; Y518-G584 VanDerWaalsContact CE2-O 3.3Å; Y518-G584 WeakPolarHBondContact CE2-O 3.38Å; Y518-D585 PolarHBondContact OH-OD1 3.48Å; Y518-D585 PolarHBondContact OH-OD2 2.98Å; Y518-P586 HydrophobicContact CD1-CG 3.52Å; Y518-P586 HydrophobicContact CD2-CG 4.41Å; Y518-P586 HydrophobicContact CE1-CG 3.69Å; Y518-P586 HydrophobicContact CG-CG 3.89Å; Y518-W609 AromaticContact CD1-CD1 3.88Å; Y518-W609 HydrophobicContact CD1-CG 4.16Å; Y518-K611 HydrophobicContact CD1-CG 4.33Å; Y518-K611 HydrophobicContact CE1-CB 4.49Å; Y518-K611 HydrophobicContact CE1-CG 3.62Å; Y518-K611 HydrophobicContact CE2-CG 3.96Å; Y518-K611 VanDerWaalsContact CZ-CG 3.41Å; Y518-K611 WeakPolarHBondContact OH-CE 3.44Å; Y518-K611 WeakPolarHBondContact OH-CG 3.49Å
519	F	98.8	Very high	92.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138.2	179.6	-155.6	-82.1	0	0	0	111.5	I420 V422 A503 V504 A507 T521 W609 F612 Y619 L620 Y632	I420-F519 HydrophobicContact CG2-CD2 3.82Å; I420-F519 HydrophobicContact CG2-CE2 4.25Å; I420-F519 CarbonylContact O-C 3.45Å; I420-F519 VanDerWaalsContact O-CA 3.24Å; I420-F519 WeakPolarHBondContact O-CA 3.33Å; V422-F519 HydrophobicContact CG2-CE1 4.4Å; V422-F519 HydrophobicContact CG2-CZ 4.44Å; A503-F519 HydrophobicContact CB-CE2 4.09Å; A503-F519 HydrophobicContact CB-CZ 4.07Å; V504-F519 HydrophobicContact CG2-CE2 3.96Å; V504-F519 HydrophobicContact CG2-CZ 3.74Å; A507-F519 HydrophobicContact CB-CD2 3.63Å; A507-F519 HydrophobicContact CB-CE2 3.94Å; F519-T521 HydrophobicContact CD1-CG2 4.43Å; F519-T521 HydrophobicContact CE1-CG2 4.05Å; F519-W609 PolarHBondContact O-NE1 2.85Å; F519-F612 HydrophobicContact CB-CB 4.06Å; F519-F612 HydrophobicContact CB-CD2 3.7Å; F519-F612 HydrophobicContact CB-CG 4.16Å; F519-F612 HydrophobicContact CD2-CD2 4.39Å; F519-F612 HydrophobicContact CG-CD2 4.25Å; F519-Y619 HydrophobicContact CD1-CG 4.49Å; F519-Y619 CarbonylContact O-C 3.38Å; F519-Y619 VanDerWaalsContact O-CA 3.24Å; F519-Y619 WeakPolarHBondContact O-CA 3.37Å; F519-Y619 WeakPolarHBondContact O-CB 3.36Å; F519-L620 PolarHBondContact O-N 3.08Å; F519-Y632 HydrophobicContact CE1-CD1 4.22Å
520	Y	98.8	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	160.3	169.2	75.6	-91.3	0	0	0	113.3	Q330 L419 I420 G421 V422 F522 W577 W609 L620 I622	Q330-Y520 WeakPolarHBondContact CA-OH 3.31Å; Q330-Y520 WeakPolarHBondContact CB-OH 3.29Å; Q330-Y520 WeakPolarHBondContact CG-OH 3.48Å; L419-Y520 HydrophobicContact CD2-CD1 3.69Å; L419-Y520 HydrophobicContact CD2-CE1 3.85Å; I420-Y520 WeakPolarHBondContact O-CD1 3.46Å; I420-Y520 PolarHBondContact O-N 3.33Å; G421-Y520 VanDerWaalsContact CA-CE1 3.45Å; G421-Y520 WeakPolarHBondContact CA-O 3.39Å; V422-Y520 PolarHBondContact N-O 3.3Å; Y520-F522 HydrophobicContact CD2-CB 4.38Å; Y520-F522 HydrophobicContact CE2-CB 4.14Å; Y520-F522 HydrophobicContact CE2-CD2 4.49Å; Y520-W577 AromaticContact CD1-CH2 3.88Å; Y520-W577 HydrophobicContact CD1-CH2 3.88Å; Y520-W577 HydrophobicContact CD1-CZ2 4.42Å; Y520-W577 AromaticContact CE1-CH2 3.77Å; Y520-W577 HydrophobicContact CE1-CH2 3.77Å; Y520-W577 AromaticContact CE1-CZ2 3.88Å; Y520-W577 HydrophobicContact CE1-CZ2 3.88Å; Y520-W577 HydrophobicContact CE2-CH2 4.48Å; Y520-W577 HydrophobicContact CG-CH2 4.27Å; Y520-W609 HydrophobicContact CD1-CH2 4.17Å; Y520-W609 HydrophobicContact CD1-CZ2 4.37Å; Y520-W609 HydrophobicContact CG-CH2 4.34Å; Y520-W609 HydrophobicContact CG-CZ2 4.47Å; Y520-L620 CarbonylContact C-O 3.53Å; Y520-L620 WeakPolarHBondContact CA-O 3.35Å; Y520-I622 HydrophobicContact CD2-CD1 3.99Å; Y520-I622 HydrophobicContact CG-CD1 3.92Å
521	T	98.6	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.8	160.7	67.1	0	0	0	0	110.6	V422 F519 Y523 Y619 L620 I622 Y632	V422-T521 HydrophobicContact CG2-CG2 4.41Å; V422-T521 CarbonylContact O-C 3.59Å; V422-T521 VanDerWaalsContact O-CA 3.25Å; V422-T521 WeakPolarHBondContact O-CA 3.31Å; F519-T521 HydrophobicContact CD1-CG2 4.43Å; F519-T521 HydrophobicContact CE1-CG2 4.05Å; T521-Y523 WeakPolarHBondContact OG1-CD2 3.46Å; T521-Y523 WeakPolarHBondContact OG1-CE2 3.47Å; T521-Y619 HydrophobicContact CG2-CD2 3.63Å; T521-Y619 HydrophobicContact CG2-CE2 3.79Å; T521-Y619 HydrophobicContact CG2-CG 4.42Å; T521-Y619 VanDerWaalsContact OG1-CE2 3.32Å; T521-Y619 WeakPolarHBondContact OG1-CE2 3.13Å; T521-L620 PolarHBondContact N-O 3.33Å; T521-I622 PolarHBondContact O-N 2.71Å; T521-Y632 HydrophobicContact CG2-CD1 3.63Å; T521-Y632 HydrophobicContact CG2-CD2 3.72Å; T521-Y632 HydrophobicContact CG2-CE1 3.53Å; T521-Y632 HydrophobicContact CG2-CE2 3.64Å; T521-Y632 HydrophobicContact CG2-CG 3.72Å
522	F	98.6	Very high	91.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.6	-177.6	-147	-105.4	0	0	0	110.4	V422 N423 Q424 Y520 H524 E542 Y545 L569 V573 I622	V422-F522 PolarHBondContact O-N 3.44Å; N423-F522 HydrophobicContact CB-CB 4.31Å; N423-F522 WeakPolarHBondContact OD1-CB 3.13Å; Q424-F522 WeakPolarHBondContact CB-O 3.5Å; Q424-F522 PolarHBondContact N-O 3.02Å; Y520-F522 HydrophobicContact CD2-CB 4.38Å; Y520-F522 HydrophobicContact CE2-CB 4.14Å; Y520-F522 HydrophobicContact CE2-CD2 4.49Å; F522-H524 WeakPolarHBondContact CD1-O 3.3Å; F522-H524 WeakPolarHBondContact CE1-O 3.42Å; F522-E542 HydrophobicContact CD1-CB 3.96Å; F522-E542 HydrophobicContact CD2-CB 4.02Å; F522-E542 HydrophobicContact CE1-CB 3.99Å; F522-E542 HydrophobicContact CE2-CB 4.06Å; F522-E542 HydrophobicContact CG-CB 3.98Å; F522-E542 HydrophobicContact CZ-CB 4.06Å; F522-Y545 AromaticContact CE1-CD2 3.82Å; F522-Y545 HydrophobicContact CE1-CD2 3.82Å; F522-Y545 HydrophobicContact CE1-CE2 4.1Å; F522-Y545 HydrophobicContact CE1-CG 4.46Å; F522-Y545 AromaticContact CZ-CD2 3.64Å; F522-Y545 HydrophobicContact CZ-CD2 3.64Å; F522-Y545 HydrophobicContact CZ-CE2 4.29Å; F522-Y545 AromaticContact CZ-CG 3.84Å; F522-Y545 HydrophobicContact CZ-CG 3.84Å; F522-L569 HydrophobicContact CZ-CD2 4.26Å; F522-V573 HydrophobicContact CE2-CG2 3.98Å; F522-I622 HydrophobicContact CD2-CB 3.94Å; F522-I622 HydrophobicContact CD2-CD1 4.46Å; F522-I622 HydrophobicContact CD2-CG2 3.68Å; F522-I622 HydrophobicContact CE2-CB 4.34Å; F522-I622 HydrophobicContact CE2-CG2 3.56Å
523	Y	97.4	Very high	90.8	Very high	33 Å²	33	51 Å²	51	13%	0.129	25%	0.253	C	S	.	.			trans	-118.4	43.4	-172.8	-89.6	-115.5	0	0	0	110	Q424 T521 H621 I622 Y632 D815	Q424-Y523 HydrophobicContact CB-CD1 4.3Å; Q424-Y523 HydrophobicContact CB-CD2 3.91Å; Q424-Y523 HydrophobicContact CB-CE1 4.33Å; Q424-Y523 HydrophobicContact CB-CE2 3.91Å; Q424-Y523 HydrophobicContact CB-CG 4.1Å; Q424-Y523 VanDerWaalsContact CD-CD1 3.41Å; Q424-Y523 VanDerWaalsContact CD-CE1 3.47Å; Q424-Y523 HydrophobicContact CG-CD1 3.91Å; Q424-Y523 HydrophobicContact CG-CD2 4.28Å; Q424-Y523 HydrophobicContact CG-CE1 3.64Å; Q424-Y523 HydrophobicContact CG-CE2 4Å; Q424-Y523 HydrophobicContact CG-CG 4.23Å; T521-Y523 WeakPolarHBondContact OG1-CD2 3.46Å; T521-Y523 WeakPolarHBondContact OG1-CE2 3.47Å; Y523-H621 WeakPolarHBondContact CB-CE1 3.37Å; Y523-H621 AromaticContact CD1-CD2 3.87Å; Y523-H621 AromaticContact CD1-NE2 3.41Å; Y523-H621 WeakPolarHBondContact CD1-NE2 3.27Å; Y523-H621 AromaticContact CG-CD2 3.77Å; Y523-H621 AromaticContact CG-CE1 3.88Å; Y523-H621 AromaticContact CG-NE2 3.48Å; Y523-I622 PolarHBondContact N-O 2.91Å; Y523-Y632 HydrophobicContact CE2-CE2 4.05Å; Y523-Y632 WeakPolarHBondContact OH-CE2 3.42Å; Y523-D815 PolarHBondContact OH-OD1 3.26Å; Y523-D815 PolarHBondContact OH-OD2 2.99Å
524	H	96.3	Very high	90.5	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.125	25%	0.249	C	C	.	.			trans	-159.2	147.4	179	-173.2	78.5	0	0	0	110.5	F522 A537 Y545 D566 L569 L624	F522-H524 WeakPolarHBondContact CD1-O 3.3Å; F522-H524 WeakPolarHBondContact CE1-O 3.42Å; H524-A537 WeakPolarHBondContact O-CB 3.26Å; H524-Y545 AromaticContact CD2-CE1 3.89Å; H524-Y545 AromaticContact CD2-CZ 3.63Å; H524-Y545 PolarHBondContact CD2-OH 3.39Å; H524-Y545 VanDerWaalsContact CD2-OH 3.31Å; H524-Y545 AromaticContact NE2-CZ 3.97Å; H524-Y545 PolarHBondContact NE2-OH 2.73Å; H524-D566 IonicContact CD2-OD1 2.74Å; H524-D566 IonicContact CE1-OD1 3.48Å; H524-D566 IonicContact NE2-OD1 3.57Å; H524-D566 PolarHBondContact NE2-OD1 2.87Å; H524-L569 HydrophobicContact CB-CD2 3.69Å; H524-L569 WeakPolarHBondContact CD2-CD2 3.12Å; H524-L624 WeakPolarHBondContact ND1-CG 3.26Å
525	H	94.1	Very high	90.6	Very high	34 Å²	34	42.1 Å²	42.1	16%	0.157	21%	0.21	C	C	.	.			trans	-152.6	170.7	168	62.9	91.7	0	0	0	108.1	Q527 R531 A535 A537 D541 Y545	H525-Q527 PolarHBondContact CE1-OE1 2.94Å; H525-R531 PolarHBondContact CE1-NE 3.47Å; H525-R531 VanDerWaalsContact CE1-NE 3.34Å; H525-R531 PolarHBondContact ND1-NE 3.15Å; H525-A535 PolarHBondContact NE2-O 2.83Å; H525-A535 VanDerWaalsContact NE2-O 3.17Å; H525-A537 HydrophobicContact CB-CB 4.27Å; H525-D541 HydrophobicContact CB-CB 4.09Å; H525-D541 WeakPolarHBondContact CB-OD2 3.27Å; H525-Y545 VanDerWaalsContact C-OH 3.3Å
526	C	88.8	Confident	90.6	Very high	18 Å²	18	43.3 Å²	43.3	12%	0.122	22%	0.216	C	C	.	.			trans	-90.8	152.9	167.9	62.1	0	0	0	0	109.8	Y545 C560 F562	C526-Y545 PolarHBondContact N-OH 3.25Å; C526-Y545 VanDerWaalsContact N-OH 3.09Å; C526-C560 HydrophobicContact CB-CB 3.79Å; C526-C560 WeakPolarHBondContact CB-SG 3.5Å; C526-C560 WeakPolarHBondContact SG-CB 3.17Å; C526-C560 CovalentContact SG-SG 2.02Å; C526-C560 PolarHBondContact SG-SG 2.92Å; C526-F562 HydrophobicContact CB-CD1 4.02Å; C526-F562 HydrophobicContact CB-CE1 3.96Å; C526-F562 VanDerWaalsContact SG-CE1 3.56Å
527	Q	78.3	Confident	90.6	Very high	93 Å²	93	41.7 Å²	41.7	44%	0.435	21%	0.205	S	C	.	.			trans	-89.9	131	175.7	-159	72.8	29.7	0	0	109.9	H525 R531 P532	H525-Q527 PolarHBondContact CE1-OE1 2.94Å; Q527-R531 PolarHBondContact NE2-O 2.84Å; Q527-P532 PolarHBondContact NE2-O 2.98Å
528	T	80.6	Confident	90.5	Very high	34 Å²	34	41.6 Å²	41.6	21%	0.209	21%	0.205	C	C	.	.			trans	-106	161.8	163.9	55.4	0	0	0	0	109.6	T530 R531 C560	T528-T530 PolarHBondContact O-N 2.9Å; T528-T530 PolarHBondContact OG1-OG1 2.8Å; T528-R531 PolarHBondContact O-N 3.09Å; T528-R531 VanDerWaalsContact OG1-CB 3.27Å; T528-R531 WeakPolarHBondContact OG1-CB 3.23Å; T528-R531 PolarHBondContact OG1-N 3.37Å; T528-C560 VanDerWaalsContact CG2-SG 3.54Å
529	E	76.3	Confident	90.5	Very high	209 Å²	209	41.9 Å²	41.9	98%	0.977	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-24	174.1	-62	-175.5	169.7	0	0	112.6	R531	E529-R531 VanDerWaalsContact C-N 3.32Å
530	T	77.8	Confident	90.4	Very high	84 Å²	84	41.8 Å²	41.8	52%	0.515	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.9	174.5	59.2	0	0	0	0	113.4	D164 T528	D164-T530 VanDerWaalsContact OD2-CB 3.31Å; D164-T530 WeakPolarHBondContact OD2-CB 3.35Å; D164-T530 PolarHBondContact OD2-OG1 3.21Å; T528-T530 PolarHBondContact O-N 2.9Å; T528-T530 PolarHBondContact OG1-OG1 2.8Å
531	R	83.9	Confident	90.3	Very high	17 Å²	17	42.4 Å²	42.4	6%	0.064	21%	0.209	C	C	.	.	S	Bend	trans	-91.9	128.9	-166	-173.5	-174.9	-164.9	118	1.7	111.7	H525 Q527 T528 E529 A535 D536 D541	H525-R531 PolarHBondContact CE1-NE 3.47Å; H525-R531 VanDerWaalsContact CE1-NE 3.34Å; H525-R531 PolarHBondContact ND1-NE 3.15Å; Q527-R531 PolarHBondContact NE2-O 2.84Å; T528-R531 PolarHBondContact O-N 3.09Å; T528-R531 VanDerWaalsContact OG1-CB 3.27Å; T528-R531 WeakPolarHBondContact OG1-CB 3.23Å; T528-R531 PolarHBondContact OG1-N 3.37Å; E529-R531 VanDerWaalsContact C-N 3.32Å; R531-A535 HydrophobicContact CG-CB 4.23Å; R531-D536 PolarHBondContact NH2-O 3.02Å; R531-D541 IonicContact CZ-OD1 3.8Å; R531-D541 IonicContact CZ-OD2 2.73Å; R531-D541 VanDerWaalsContact NH1-CG 3.29Å; R531-D541 IonicContact NH1-OD1 3.57Å; R531-D541 PolarHBondContact NH1-OD1 2.89Å; R531-D541 IonicContact NH1-OD2 3.75Å; R531-D541 PolarHBondContact NH1-OD2 2.93Å; R531-D541 IonicContact NH2-OD2 3.25Å; R531-D541 PolarHBondContact NH2-OD2 2.95Å
532	P	86.7	Confident	90.3	Very high	38 Å²	38	42.4 Å²	42.4	25%	0.247	21%	0.209	C	C	.	.			trans	-58.7	138.2	175.4	-23.5	32.8	0	0	0	113.3	Q527 W534 A535	Q527-P532 PolarHBondContact NE2-O 2.98Å; P532-W534 HydrophobicContact CB-CD2 4.17Å; P532-W534 HydrophobicContact CB-CG 4.24Å; P532-W534 HydrophobicContact CB-CZ2 4.03Å; P532-W534 VanDerWaalsContact CB-NE1 3.34Å; P532-W534 HydrophobicContact CG-CZ2 4.11Å; P532-W534 PolarHBondContact O-N 2.78Å; P532-A535 WeakPolarHBondContact O-CB 3.11Å; P532-A535 PolarHBondContact O-N 2.87Å; P532-A535 VanDerWaalsContact O-N 3.08Å
533	E	85.2	Confident	90.2	Very high	177 Å²	177	42.6 Å²	42.6	83%	0.827	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.7	179.2	-63.9	-168.5	159.1	0	0	114.6
534	W	86.4	Confident	90.2	Very high	64 Å²	64	41.3 Å²	41.3	24%	0.242	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.2	178.6	61.2	-103.6	0	0	0	113.5	L428 V431 R487 L491 P532 D536	L428-W534 HydrophobicContact CD1-CH2 3.53Å; L428-W534 HydrophobicContact CD1-CZ2 4.41Å; L428-W534 HydrophobicContact CD1-CZ3 3.82Å; V431-W534 HydrophobicContact CG2-CH2 3.89Å; V431-W534 HydrophobicContact CG2-CZ3 4.33Å; R487-W534 HydrophobicContact CG-CH2 4.28Å; R487-W534 HydrophobicContact CG-CZ3 4.36Å; R487-W534 VanDerWaalsContact NE-CD2 3.28Å; L491-W534 HydrophobicContact CD1-CZ3 3.89Å; P532-W534 HydrophobicContact CB-CD2 4.17Å; P532-W534 HydrophobicContact CB-CG 4.24Å; P532-W534 HydrophobicContact CB-CZ2 4.03Å; P532-W534 VanDerWaalsContact CB-NE1 3.34Å; P532-W534 HydrophobicContact CG-CZ2 4.11Å; P532-W534 PolarHBondContact O-N 2.78Å; W534-D536 PolarHBondContact O-N 3.12Å
535	A	90.3	Very high	90.3	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.033	20%	0.2	C	C	.	.			trans	-75	123	-175.4	0	0	0	0	0	111	L428 H525 R531 P532	L428-A535 HydrophobicContact CD1-CB 3.75Å; L428-A535 HydrophobicContact CD2-CB 4.06Å; H525-A535 PolarHBondContact NE2-O 2.83Å; H525-A535 VanDerWaalsContact NE2-O 3.17Å; R531-A535 HydrophobicContact CG-CB 4.23Å; P532-A535 WeakPolarHBondContact O-CB 3.11Å; P532-A535 PolarHBondContact O-N 2.87Å; P532-A535 VanDerWaalsContact O-N 3.08Å
536	D	93.3	Very high	90.6	Very high	39 Å²	39	38.5 Å²	38.5	21%	0.209	19%	0.193	C	C	.	.			trans	-72.9	179.5	167.5	-67.2	-56.2	0	0	0	110.6	Q424 R531 W534 A538	Q424-D536 HydrophobicContact CB-CB 4.3Å; Q424-D536 HydrophobicContact CG-CB 3.91Å; Q424-D536 PolarHBondContact NE2-OD1 3.03Å; Q424-D536 PolarHBondContact NE2-OD2 2.98Å; Q424-D536 VanDerWaalsContact NE2-OD2 3.16Å; R531-D536 PolarHBondContact NH2-O 3.02Å; W534-D536 PolarHBondContact O-N 3.12Å; D536-A538 PolarHBondContact O-N 3.02Å
537	A	96.1	Very high	91	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-62.2	123.7	179.2	0	0	0	0	0	112.2	Q424 G425 H524 H525	Q424-A537 HydrophobicContact CB-CB 4.41Å; Q424-A537 PolarHBondContact N-O 2.83Å; G425-A537 CarbonylContact C-O 3.59Å; G425-A537 VanDerWaalsContact CA-O 3.32Å; G425-A537 WeakPolarHBondContact CA-O 3.45Å; G425-A537 PolarHBondContact N-O 3.38Å; H524-A537 WeakPolarHBondContact O-CB 3.26Å; H525-A537 HydrophobicContact CB-CB 4.27Å
538	A	96.1	Very high	91.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.167	C	C	.	.			trans	-115.8	-174.2	-166	0	0	0	0	0	112	V160 N423 G425 L428 D536 G540 D541	V160-A538 HydrophobicContact CG2-CB 3.86Å; N423-A538 PolarHBondContact ND2-O 3.48Å; G425-A538 WeakPolarHBondContact O-CA 3.35Å; L428-A538 HydrophobicContact CB-CB 3.7Å; L428-A538 HydrophobicContact CD2-CB 3.9Å; L428-A538 HydrophobicContact CG-CB 4.46Å; D536-A538 PolarHBondContact O-N 3.02Å; A538-G540 PolarHBondContact O-N 3.27Å; A538-D541 PolarHBondContact N-OD2 2.95Å; A538-D541 PolarHBondContact O-N 2.92Å
539	H	97.7	Very high	92.7	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.028	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	123.2	-168.8	-164.2	49.5	0	0	0	113.4	P159 V160 G305 S331 E426 W499	P159-H539 VanDerWaalsContact CA-O 3.32Å; P159-H539 WeakPolarHBondContact CA-O 3.36Å; V160-H539 PolarHBondContact N-O 3.28Å; G305-H539 WeakPolarHBondContact CA-NE2 3.49Å; S331-H539 PolarHBondContact O-CE1 3.1Å; E426-H539 PolarHBondContact O-N 2.74Å; E426-H539 WeakPolarHBondContact OE2-CA 3.49Å; E426-H539 IonicContact OE2-CE1 3.98Å; E426-H539 IonicContact OE2-CG 2.99Å; E426-H539 IonicContact OE2-ND1 3.26Å; E426-H539 PolarHBondContact OE2-ND1 2.8Å; W499-H539 AromaticContact CE2-ND1 3.88Å; W499-H539 HydrophobicContact CZ2-CB 4.3Å; W499-H539 AromaticContact CZ2-CG 3.93Å; W499-H539 AromaticContact CZ2-ND1 3.93Å; W499-H539 AromaticContact NE1-CE1 3.52Å; W499-H539 AromaticContact NE1-ND1 3.47Å; W499-H539 PolarHBondContact NE1-ND1 2.94Å
540	G	96.3	Very high	93.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	5.6	178.9	0	0	0	0	0	116.5	W161 A538 E542 I543	W161-G540 VanDerWaalsContact CD1-O 3.3Å; W161-G540 PolarHBondContact NE1-O 2.83Å; A538-G540 PolarHBondContact O-N 3.27Å; G540-E542 WeakPolarHBondContact CA-OE2 3.3Å; G540-E542 PolarHBondContact O-N 2.96Å; G540-I543 WeakPolarHBondContact O-CB 3.21Å; G540-I543 PolarHBondContact O-N 3.16Å
541	D	97.2	Very high	94.4	Very high	14 Å²	14	19.2 Å²	19.2	8%	0.075	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.1	177.8	-82.1	-27.7	0	0	0	114.5	H525 R531 A538 I543 P544 Y545	H525-D541 HydrophobicContact CB-CB 4.09Å; H525-D541 WeakPolarHBondContact CB-OD2 3.27Å; R531-D541 IonicContact CZ-OD1 3.8Å; R531-D541 IonicContact CZ-OD2 2.73Å; R531-D541 VanDerWaalsContact NH1-CG 3.29Å; R531-D541 IonicContact NH1-OD1 3.57Å; R531-D541 PolarHBondContact NH1-OD1 2.89Å; R531-D541 IonicContact NH1-OD2 3.75Å; R531-D541 PolarHBondContact NH1-OD2 2.93Å; R531-D541 IonicContact NH2-OD2 3.25Å; R531-D541 PolarHBondContact NH2-OD2 2.95Å; A538-D541 PolarHBondContact N-OD2 2.95Å; A538-D541 PolarHBondContact O-N 2.92Å; D541-I543 VanDerWaalsContact C-N 3.33Å; D541-P544 WeakPolarHBondContact O-CD 3.41Å; D541-Y545 VanDerWaalsContact O-CD2 3.26Å; D541-Y545 WeakPolarHBondContact O-CD2 3.34Å; D541-Y545 WeakPolarHBondContact O-CE2 3.32Å
542	E	98.2	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.5	177.3	82.4	-63	161.7	0	0	112.3	S304 Q330 N423 F522 G540 Y545 V546	S304-E542 WeakPolarHBondContact CB-OE1 3.5Å; S304-E542 PolarHBondContact OG-OE1 2.92Å; Q330-E542 HydrophobicContact CB-CG 4.36Å; Q330-E542 WeakPolarHBondContact CB-OE1 3.3Å; Q330-E542 HydrophobicContact CG-CG 4.43Å; Q330-E542 VanDerWaalsContact NE2-CG 3.35Å; Q330-E542 PolarHBondContact NE2-OE1 2.86Å; N423-E542 PolarHBondContact ND2-OE2 3.28Å; F522-E542 HydrophobicContact CD1-CB 3.96Å; F522-E542 HydrophobicContact CD2-CB 4.02Å; F522-E542 HydrophobicContact CE1-CB 3.99Å; F522-E542 HydrophobicContact CE2-CB 4.06Å; F522-E542 HydrophobicContact CG-CB 3.98Å; F522-E542 HydrophobicContact CZ-CB 4.06Å; G540-E542 WeakPolarHBondContact CA-OE2 3.3Å; G540-E542 PolarHBondContact O-N 2.96Å; E542-Y545 WeakPolarHBondContact O-CB 3.37Å; E542-Y545 PolarHBondContact O-N 3.39Å; E542-Y545 VanDerWaalsContact O-N 3.09Å; E542-V546 HydrophobicContact CG-CG2 4.42Å; E542-V546 WeakPolarHBondContact O-CG2 3.39Å; E542-V546 PolarHBondContact O-N 2.94Å
543	I	97.9	Very high	95	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-54.3	-49.9	-175.8	-73.1	-68.2	0	0	0	113.6	W161 F222 F236 G540 D541 Y545 V546 F547 F558	W161-I543 HydrophobicContact CZ2-CG2 4.41Å; F222-I543 HydrophobicContact CE2-CD1 4.17Å; F222-I543 HydrophobicContact CZ-CD1 3.94Å; F236-I543 HydrophobicContact CD1-CG2 4.16Å; F236-I543 HydrophobicContact CE1-CD1 4.42Å; F236-I543 HydrophobicContact CE1-CG2 3.88Å; G540-I543 WeakPolarHBondContact O-CB 3.21Å; G540-I543 PolarHBondContact O-N 3.16Å; D541-I543 VanDerWaalsContact C-N 3.33Å; I543-Y545 PolarHBondContact O-N 3.36Å; I543-V546 PolarHBondContact O-N 3.32Å; I543-F547 HydrophobicContact CD1-CD2 4.37Å; I543-F547 HydrophobicContact CD1-CE2 4.05Å; I543-F547 HydrophobicContact CG2-CD2 4.03Å; I543-F547 WeakPolarHBondContact O-CD2 3.43Å; I543-F547 PolarHBondContact O-N 3.06Å; I543-F558 HydrophobicContact CG2-CE1 4.22Å; I543-F558 HydrophobicContact CG2-CZ 3.78Å
544	P	97.4	Very high	95.3	Very high	7 Å²	7	15 Å²	15	5%	0.045	9%	0.09	C	C	.	.	H	α-helix	trans	-58.1	-34.6	178.9	-24.9	34.7	0	0	0	113.1	D541 G548 V549 P550 F558 F562	D541-P544 WeakPolarHBondContact O-CD 3.41Å; P544-G548 PolarHBondContact O-N 2.65Å; P544-G548 VanDerWaalsContact O-N 3.17Å; P544-V549 HydrophobicContact CB-CB 4.18Å; P544-V549 HydrophobicContact CB-CG2 4.28Å; P544-V549 PolarHBondContact O-N 3.44Å; P544-P550 VanDerWaalsContact O-CD 3.22Å; P544-P550 WeakPolarHBondContact O-CD 3.25Å; P544-F558 HydrophobicContact CG-CD1 3.7Å; P544-F558 HydrophobicContact CG-CE1 3.86Å; P544-F558 HydrophobicContact CG-CG 4.27Å; P544-F562 HydrophobicContact CB-CE1 4.18Å; P544-F562 HydrophobicContact CB-CZ 3.94Å
545	Y	98.6	Very high	95.6	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-76.4	-38.5	-179.7	-57.9	-89.3	0	0	0	112	F522 H524 H525 C526 D541 E542 I543 P550 D566 L569 S570	F522-Y545 AromaticContact CE1-CD2 3.82Å; F522-Y545 HydrophobicContact CE1-CD2 3.82Å; F522-Y545 HydrophobicContact CE1-CE2 4.1Å; F522-Y545 HydrophobicContact CE1-CG 4.46Å; F522-Y545 AromaticContact CZ-CD2 3.64Å; F522-Y545 HydrophobicContact CZ-CD2 3.64Å; F522-Y545 HydrophobicContact CZ-CE2 4.29Å; F522-Y545 AromaticContact CZ-CG 3.84Å; F522-Y545 HydrophobicContact CZ-CG 3.84Å; H524-Y545 AromaticContact CD2-CE1 3.89Å; H524-Y545 AromaticContact CD2-CZ 3.63Å; H524-Y545 PolarHBondContact CD2-OH 3.39Å; H524-Y545 VanDerWaalsContact CD2-OH 3.31Å; H524-Y545 AromaticContact NE2-CZ 3.97Å; H524-Y545 PolarHBondContact NE2-OH 2.73Å; H525-Y545 VanDerWaalsContact C-OH 3.3Å; C526-Y545 PolarHBondContact N-OH 3.25Å; C526-Y545 VanDerWaalsContact N-OH 3.09Å; D541-Y545 VanDerWaalsContact O-CD2 3.26Å; D541-Y545 WeakPolarHBondContact O-CD2 3.34Å; D541-Y545 WeakPolarHBondContact O-CE2 3.32Å; E542-Y545 WeakPolarHBondContact O-CB 3.37Å; E542-Y545 PolarHBondContact O-N 3.39Å; E542-Y545 VanDerWaalsContact O-N 3.09Å; I543-Y545 PolarHBondContact O-N 3.36Å; Y545-P550 HydrophobicContact CD1-CG 4.3Å; Y545-P550 HydrophobicContact CE1-CG 4.39Å; Y545-D566 HydrophobicContact CE1-CB 3.81Å; Y545-D566 WeakPolarHBondContact CE1-OD1 3.28Å; Y545-D566 PolarHBondContact OH-OD1 2.96Å; Y545-L569 HydrophobicContact CD1-CB 4.21Å; Y545-L569 HydrophobicContact CD1-CD2 4.09Å; Y545-L569 HydrophobicContact CD1-CG 4.23Å; Y545-L569 HydrophobicContact CE1-CB 4.43Å; Y545-L569 HydrophobicContact CE1-CD2 4.07Å; Y545-S570 PolarHBondContact O-OG 3.1Å
546	V	98.6	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-38.8	174.4	173.2	0	0	0	0	111.9	F302 E542 I543 V573 M574 W577	F302-V546 HydrophobicContact CD2-CG1 4.42Å; F302-V546 HydrophobicContact CE2-CG1 3.93Å; E542-V546 HydrophobicContact CG-CG2 4.42Å; E542-V546 WeakPolarHBondContact O-CG2 3.39Å; E542-V546 PolarHBondContact O-N 2.94Å; I543-V546 PolarHBondContact O-N 3.32Å; V546-V573 HydrophobicContact CB-CG1 4.33Å; V546-V573 HydrophobicContact CG2-CG1 3.57Å; V546-M574 WeakPolarHBondContact O-CG 3.43Å; V546-W577 HydrophobicContact CG2-CD2 4.41Å; V546-W577 HydrophobicContact CG2-CZ2 4.02Å
547	F	98.4	Very high	95.5	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.022	12%	0.115	C	C	.	.	H	α-helix	trans	-87.1	-6.2	-179.1	-81.1	-86.7	0	0	0	114.7	F222 F236 A238 F302 I543 V549	F222-F547 HydrophobicContact CB-CZ 4.25Å; F222-F547 HydrophobicContact CD1-CE2 4.49Å; F222-F547 AromaticContact CD1-CZ 3.81Å; F222-F547 HydrophobicContact CD1-CZ 3.81Å; F222-F547 HydrophobicContact CD2-CE2 4.11Å; F222-F547 AromaticContact CD2-CZ 3.75Å; F222-F547 HydrophobicContact CD2-CZ 3.75Å; F222-F547 HydrophobicContact CE1-CE2 4.27Å; F222-F547 HydrophobicContact CE1-CZ 4.02Å; F222-F547 AromaticContact CE2-CE2 3.86Å; F222-F547 HydrophobicContact CE2-CE2 3.86Å; F222-F547 AromaticContact CE2-CZ 3.95Å; F222-F547 HydrophobicContact CE2-CZ 3.95Å; F222-F547 HydrophobicContact CG-CE2 4.41Å; F222-F547 AromaticContact CG-CZ 3.66Å; F222-F547 HydrophobicContact CG-CZ 3.66Å; F222-F547 AromaticContact CZ-CE2 3.95Å; F222-F547 HydrophobicContact CZ-CE2 3.95Å; F222-F547 HydrophobicContact CZ-CZ 4.09Å; F236-F547 HydrophobicContact CB-CD1 4.18Å; F236-F547 HydrophobicContact CB-CE1 3.73Å; F236-F547 HydrophobicContact CB-CZ 3.91Å; F236-F547 HydrophobicContact CD1-CD2 4.21Å; F236-F547 AromaticContact CD1-CE2 3.83Å; F236-F547 HydrophobicContact CD1-CE2 3.83Å; F236-F547 HydrophobicContact CD1-CZ 4.02Å; F236-F547 HydrophobicContact CG-CZ 4.26Å; A238-F547 HydrophobicContact CB-CD1 4.21Å; A238-F547 HydrophobicContact CB-CE1 3.99Å; F302-F547 HydrophobicContact CE2-CE2 4.2Å; F302-F547 AromaticContact CE2-CZ 3.96Å; F302-F547 HydrophobicContact CE2-CZ 3.96Å; F302-F547 HydrophobicContact CZ-CE1 4.46Å; F302-F547 HydrophobicContact CZ-CZ 4Å; I543-F547 HydrophobicContact CD1-CD2 4.37Å; I543-F547 HydrophobicContact CD1-CE2 4.05Å; I543-F547 HydrophobicContact CG2-CD2 4.03Å; I543-F547 WeakPolarHBondContact O-CD2 3.43Å; I543-F547 PolarHBondContact O-N 3.06Å; F547-V549 HydrophobicContact CB-CG2 4.31Å
548	G	97.3	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	11.7	175.5	0	0	0	0	0	115.5	P544 P550 M551 S570 M574	P544-G548 PolarHBondContact O-N 2.65Å; P544-G548 VanDerWaalsContact O-N 3.17Å; G548-P550 VanDerWaalsContact C-CD 3.47Å; G548-M551 WeakPolarHBondContact O-CB 3.38Å; G548-M551 PolarHBondContact O-N 3.18Å; G548-S570 WeakPolarHBondContact CA-OG 3.41Å; G548-M574 VanDerWaalsContact CA-SD 3.54Å
549	V	96.7	Very high	95	Very high	12 Å²	12	22.3 Å²	22.3	7%	0.073	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-53.7	-41.9	-174	-171.8	0	0	0	0	113	P544 F547 M551 I552 G553 T555 F558 F562	P544-V549 HydrophobicContact CB-CB 4.18Å; P544-V549 HydrophobicContact CB-CG2 4.28Å; P544-V549 PolarHBondContact O-N 3.44Å; F547-V549 HydrophobicContact CB-CG2 4.31Å; V549-M551 PolarHBondContact O-N 2.92Å; V549-I552 WeakPolarHBondContact O-CG1 3.42Å; V549-I552 PolarHBondContact O-N 2.93Å; V549-G553 PolarHBondContact O-N 3.28Å; V549-T555 HydrophobicContact CG1-CG2 4.02Å; V549-F558 HydrophobicContact CG1-CB 4.12Å; V549-F558 HydrophobicContact CG1-CD2 4.17Å; V549-F558 HydrophobicContact CG1-CG 4.48Å; V549-F558 HydrophobicContact CG2-CD2 3.92Å; V549-F558 HydrophobicContact CG2-CE2 4.2Å; V549-F562 HydrophobicContact CB-CE2 4.4Å; V549-F562 HydrophobicContact CG1-CE2 3.79Å; V549-F562 HydrophobicContact CG1-CZ 4.23Å
550	P	96	Very high	94.6	Very high	8 Å²	8	22.3 Å²	22.3	5%	0.052	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-53.9	-23.8	174.5	-29.4	37.3	0	0	0	115.4	P544 Y545 G548 I552 F562 D566 V567	P544-P550 VanDerWaalsContact O-CD 3.22Å; P544-P550 WeakPolarHBondContact O-CD 3.25Å; Y545-P550 HydrophobicContact CD1-CG 4.3Å; Y545-P550 HydrophobicContact CE1-CG 4.39Å; G548-P550 VanDerWaalsContact C-CD 3.47Å; P550-I552 VanDerWaalsContact C-N 3.34Å; P550-F562 HydrophobicContact CB-CB 4.06Å; P550-F562 HydrophobicContact CB-CD1 4.21Å; P550-F562 HydrophobicContact CB-CG 4.03Å; P550-F562 HydrophobicContact CG-CB 4.46Å; P550-F562 HydrophobicContact CG-CD1 3.68Å; P550-F562 HydrophobicContact CG-CD2 4.44Å; P550-F562 HydrophobicContact CG-CE1 3.93Å; P550-F562 HydrophobicContact CG-CG 3.95Å; P550-F562 HydrophobicContact CG-CZ 4.42Å; P550-D566 HydrophobicContact CB-CB 4.23Å; P550-D566 HydrophobicContact CG-CB 4.25Å; P550-V567 HydrophobicContact CB-CG2 4.22Å; P550-V567 WeakPolarHBondContact O-CG2 3.01Å
551	M	94	Very high	94.3	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.044	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-77.9	-14.7	180	-58.7	-166.5	173.7	0	0	114.6	N99 V240 Y244 G548 V549 V567 A571 M574 I597	N99-M551 PolarHBondContact ND2-O 3.38Å; V240-M551 HydrophobicContact CG1-CB 4.17Å; V240-M551 HydrophobicContact CG1-CG 4.41Å; V240-M551 HydrophobicContact CG1-SD 4.01Å; Y244-M551 HydrophobicContact CD2-CE 3.77Å; Y244-M551 HydrophobicContact CD2-SD 3.9Å; Y244-M551 HydrophobicContact CE2-CE 3.71Å; Y244-M551 HydrophobicContact CE2-SD 4.4Å; G548-M551 WeakPolarHBondContact O-CB 3.38Å; G548-M551 PolarHBondContact O-N 3.18Å; V549-M551 PolarHBondContact O-N 2.92Å; M551-V567 HydrophobicContact CG-CG1 4.31Å; M551-A571 HydrophobicContact CE-CB 3.5Å; M551-M574 HydrophobicContact CE-CE 3.33Å; M551-M574 HydrophobicContact CG-CE 4.44Å; M551-M574 HydrophobicContact SD-CE 3.56Å; M551-M574 VanDerWaalsContact SD-CE 3.56Å; M551-I597 HydrophobicContact CE-CG1 3.9Å; M551-I597 HydrophobicContact SD-CD1 3.86Å; M551-I597 HydrophobicContact SD-CG1 3.86Å
552	I	92.7	Very high	94.1	Very high	54 Å²	54	30.1 Å²	30.1	28%	0.277	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-13.1	177.5	56.6	169.4	0	0	0	113.2	N98 V240 V549 P550 T555	N98-I552 HydrophobicContact CB-CG2 4.48Å; V240-I552 HydrophobicContact CG2-CG2 3.77Å; V549-I552 WeakPolarHBondContact O-CG1 3.42Å; V549-I552 PolarHBondContact O-N 2.93Å; P550-I552 VanDerWaalsContact C-N 3.34Å; I552-T555 HydrophobicContact CD1-CG2 4.14Å
553	G	90.9	Very high	93.9	Very high	26 Å²	26	32.5 Å²	32.5	27%	0.268	20%	0.196	S	C	.	.			trans	105.9	-170.2	179.7	0	0	0	0	0	113	V549	V549-G553 PolarHBondContact O-N 3.28Å
554	A	90.8	Very high	93.8	Very high	62 Å²	62	38.7 Å²	38.7	51%	0.512	22%	0.223	S	C	.	.			trans	-62	146	171	0	0	0	0	0	110.6	C560	A554-C560 WeakPolarHBondContact CB-O 3.24Å
555	T	92.2	Very high	93.7	Very high	46 Å²	46	40.3 Å²	40.3	28%	0.282	23%	0.231	S	C	.	.			trans	-127.7	166.3	172.6	68.5	0	0	0	0	109.6	V549 I552 L557 F558 P559	V549-T555 HydrophobicContact CG1-CG2 4.02Å; I552-T555 HydrophobicContact CD1-CG2 4.14Å; T555-L557 PolarHBondContact O-N 3.5Å; T555-F558 PolarHBondContact N-O 2.77Å; T555-F558 VanDerWaalsContact N-O 3.08Å; T555-F558 CarbonylContact O-C 3.36Å; T555-F558 PolarHBondContact O-N 3.32Å; T555-F558 PolarHBondContact OG1-N 2.77Å; T555-P559 WeakPolarHBondContact O-CA 3.34Å
556	D	90.4	Very high	93.6	Very high	132 Å²	132	40.6 Å²	40.6	71%	0.706	23%	0.233	S	C	*	.	S	Bend	trans	-57.8	-36	-179	-51.7	-41	0	0	0	112.4	V168	V168-D556 HydrophobicContact CG1-CB 3.77Å; V168-D556 HydrophobicContact CG2-CB 4.39Å
557	L	91.3	Very high	93.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	24%	0.238	C	C	.	.	S	Bend	trans	-82.3	-22.6	178.3	-171.3	63.7	0	0	0	113	W161 V168 A169 Y172 M235 T555	W161-L557 HydrophobicContact CE3-CD1 4.14Å; W161-L557 HydrophobicContact CE3-CD2 4.5Å; W161-L557 HydrophobicContact CE3-CG 4.19Å; W161-L557 HydrophobicContact CZ3-CD1 4.09Å; W161-L557 HydrophobicContact CZ3-CD2 4.08Å; W161-L557 HydrophobicContact CZ3-CG 4.21Å; V168-L557 HydrophobicContact CG1-CB 4.3Å; V168-L557 HydrophobicContact CG1-CD1 4.39Å; A169-L557 HydrophobicContact CB-CD1 4.28Å; Y172-L557 HydrophobicContact CE2-CB 4.44Å; Y172-L557 HydrophobicContact CE2-CD2 4.39Å; M235-L557 HydrophobicContact CB-CD2 3.88Å; M235-L557 HydrophobicContact CG-CD2 4.15Å; T555-L557 PolarHBondContact O-N 3.5Å
558	F	93.1	Very high	93.4	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	24%	0.237	C	C	.	.			trans	-131.9	72.5	178.7	-57.5	-68	0	0	0	109.7	W161 I543 P544 V549 T555 C560 F562	W161-F558 HydrophobicContact CB-CD1 4.14Å; W161-F558 HydrophobicContact CB-CE1 4.03Å; W161-F558 AromaticContact CD1-CE1 3.98Å; W161-F558 HydrophobicContact CD2-CD1 4.47Å; W161-F558 AromaticContact CD2-CE1 3.54Å; W161-F558 HydrophobicContact CD2-CE1 3.54Å; W161-F558 HydrophobicContact CD2-CZ 4.16Å; W161-F558 AromaticContact CE2-CE1 3.99Å; W161-F558 AromaticContact CE3-CE1 3.88Å; W161-F558 HydrophobicContact CE3-CE1 3.88Å; W161-F558 HydrophobicContact CE3-CZ 4.23Å; W161-F558 HydrophobicContact CG-CD1 4.21Å; W161-F558 AromaticContact CG-CE1 3.59Å; W161-F558 HydrophobicContact CG-CE1 3.59Å; I543-F558 HydrophobicContact CG2-CE1 4.22Å; I543-F558 HydrophobicContact CG2-CZ 3.78Å; P544-F558 HydrophobicContact CG-CD1 3.7Å; P544-F558 HydrophobicContact CG-CE1 3.86Å; P544-F558 HydrophobicContact CG-CG 4.27Å; V549-F558 HydrophobicContact CG1-CB 4.12Å; V549-F558 HydrophobicContact CG1-CD2 4.17Å; V549-F558 HydrophobicContact CG1-CG 4.48Å; V549-F558 HydrophobicContact CG2-CD2 3.92Å; V549-F558 HydrophobicContact CG2-CE2 4.2Å; T555-F558 PolarHBondContact N-O 2.77Å; T555-F558 VanDerWaalsContact N-O 3.08Å; T555-F558 CarbonylContact O-C 3.36Å; T555-F558 PolarHBondContact O-N 3.32Å; T555-F558 PolarHBondContact OG1-N 2.77Å; F558-C560 PolarHBondContact O-N 3.27Å; F558-F562 HydrophobicContact CB-CZ 4.41Å
559	P	90.1	Very high	93.4	Very high	66 Å²	66	41.1 Å²	41.1	43%	0.429	24%	0.237	S	C	.	.			trans	-73.9	21.8	-172.5	31.1	-37.6	0	0	0	114	N165 T555	N165-P559 WeakPolarHBondContact OD1-CG 3.39Å; T555-P559 WeakPolarHBondContact O-CA 3.34Å
560	C	88.2	Confident	93.5	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.041	23%	0.233	C	C	.	.			trans	-71.5	135.2	-176.9	-110.6	0	0	0	0	112.4	C526 T528 A554 F558 F562	C526-C560 HydrophobicContact CB-CB 3.79Å; C526-C560 WeakPolarHBondContact CB-SG 3.5Å; C526-C560 WeakPolarHBondContact SG-CB 3.17Å; C526-C560 CovalentContact SG-SG 2.02Å; C526-C560 PolarHBondContact SG-SG 2.92Å; T528-C560 VanDerWaalsContact CG2-SG 3.54Å; A554-C560 WeakPolarHBondContact CB-O 3.24Å; F558-C560 PolarHBondContact O-N 3.27Å; C560-F562 VanDerWaalsContact C-N 3.26Å; C560-F562 HydrophobicContact CB-CD1 4.06Å; C560-F562 HydrophobicContact CB-CD2 4.26Å; C560-F562 HydrophobicContact CB-CE1 3.65Å; C560-F562 HydrophobicContact CB-CE2 3.84Å; C560-F562 HydrophobicContact CB-CG 4.36Å; C560-F562 HydrophobicContact CB-CZ 3.53Å; C560-F562 WeakPolarHBondContact O-CD2 3.48Å; C560-F562 PolarHBondContact O-N 2.86Å
561	N	89.5	Confident	93.5	Very high	153 Å²	153	40.2 Å²	40.2	82%	0.818	23%	0.231	S	C	*	.			trans	-78.4	75.2	173	-169.1	1	0	0	0	110.8	S563	N561-S563 PolarHBondContact O-N 3.29Å
562	F	93.9	Very high	93.7	Very high	25 Å²	25	39.8 Å²	39.8	11%	0.11	23%	0.229	C	C	.	.			trans	-60.6	122.6	-174.7	-64.2	-67.4	0	0	0	112.6	C526 P544 V549 P550 F558 C560 D566	C526-F562 HydrophobicContact CB-CD1 4.02Å; C526-F562 HydrophobicContact CB-CE1 3.96Å; C526-F562 VanDerWaalsContact SG-CE1 3.56Å; P544-F562 HydrophobicContact CB-CE1 4.18Å; P544-F562 HydrophobicContact CB-CZ 3.94Å; V549-F562 HydrophobicContact CB-CE2 4.4Å; V549-F562 HydrophobicContact CG1-CE2 3.79Å; V549-F562 HydrophobicContact CG1-CZ 4.23Å; P550-F562 HydrophobicContact CB-CB 4.06Å; P550-F562 HydrophobicContact CB-CD1 4.21Å; P550-F562 HydrophobicContact CB-CG 4.03Å; P550-F562 HydrophobicContact CG-CB 4.46Å; P550-F562 HydrophobicContact CG-CD1 3.68Å; P550-F562 HydrophobicContact CG-CD2 4.44Å; P550-F562 HydrophobicContact CG-CE1 3.93Å; P550-F562 HydrophobicContact CG-CG 3.95Å; P550-F562 HydrophobicContact CG-CZ 4.42Å; F558-F562 HydrophobicContact CB-CZ 4.41Å; C560-F562 VanDerWaalsContact C-N 3.26Å; C560-F562 HydrophobicContact CB-CD1 4.06Å; C560-F562 HydrophobicContact CB-CD2 4.26Å; C560-F562 HydrophobicContact CB-CE1 3.65Å; C560-F562 HydrophobicContact CB-CE2 3.84Å; C560-F562 HydrophobicContact CB-CG 4.36Å; C560-F562 HydrophobicContact CB-CZ 3.53Å; C560-F562 WeakPolarHBondContact O-CD2 3.48Å; C560-F562 PolarHBondContact O-N 2.86Å; F562-D566 HydrophobicContact CB-CB 4.13Å; F562-D566 HydrophobicContact CD1-CB 4.03Å
563	S	94.4	Very high	94	Very high	49 Å²	49	37.2 Å²	37.2	34%	0.343	22%	0.216	S	C	.	.			trans	-81.6	168.3	177.5	84.2	0	0	0	0	111.8	N561 N565 D566 V567	N561-S563 PolarHBondContact O-N 3.29Å; S563-N565 PolarHBondContact O-N 2.92Å; S563-N565 PolarHBondContact OG-N 3.15Å; S563-N565 VanDerWaalsContact OG-N 3.11Å; S563-D566 WeakPolarHBondContact CA-OD2 3.28Å; S563-D566 WeakPolarHBondContact CB-OD2 3.36Å; S563-D566 PolarHBondContact N-OD2 3.45Å; S563-D566 WeakPolarHBondContact O-CA 3.21Å; S563-D566 WeakPolarHBondContact O-CB 3.45Å; S563-D566 PolarHBondContact O-N 3.16Å; S563-D566 PolarHBondContact OG-OD2 2.75Å; S563-V567 PolarHBondContact O-N 3.42Å
564	K	94.6	Very high	94.4	Very high	133 Å²	133	36 Å²	36	58%	0.578	20%	0.203	S	C	*	.	H	α-helix	trans	-61	-15.2	171.7	-63.2	-169.4	177.8	-173.8	0	114.3	T599 K600	K564-T599 WeakPolarHBondContact CB-OG1 3.28Å; K564-T599 PolarHBondContact O-OG1 3.07Å; K564-K600 HydrophobicContact CB-CG 3.83Å; K564-K600 WeakPolarHBondContact O-CG 3.49Å
565	N	95.4	Very high	94.7	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	18%	0.18	C	C	.	.	H	α-helix	trans	-79.2	-31.2	170.3	-61.1	-64.9	0	0	0	111.8	S563 M568 L569 R603 L624	S563-N565 PolarHBondContact O-N 2.92Å; S563-N565 PolarHBondContact OG-N 3.15Å; S563-N565 VanDerWaalsContact OG-N 3.11Å; N565-M568 PolarHBondContact O-N 2.84Å; N565-L569 WeakPolarHBondContact O-CB 3.5Å; N565-L569 PolarHBondContact O-N 3.37Å; N565-R603 PolarHBondContact OD1-NH2 3.1Å; N565-L624 HydrophobicContact CB-CD1 4.12Å; N565-L624 HydrophobicContact CB-CD2 3.82Å
566	D	96.9	Very high	95	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-72.6	-38.2	178.9	-57.9	-80.7	0	0	0	111.4	H524 Y545 P550 F562 S563 M568 L569 S570	H524-D566 IonicContact CD2-OD1 2.74Å; H524-D566 IonicContact CE1-OD1 3.48Å; H524-D566 IonicContact NE2-OD1 3.57Å; H524-D566 PolarHBondContact NE2-OD1 2.87Å; Y545-D566 HydrophobicContact CE1-CB 3.81Å; Y545-D566 WeakPolarHBondContact CE1-OD1 3.28Å; Y545-D566 PolarHBondContact OH-OD1 2.96Å; P550-D566 HydrophobicContact CB-CB 4.23Å; P550-D566 HydrophobicContact CG-CB 4.25Å; F562-D566 HydrophobicContact CB-CB 4.13Å; F562-D566 HydrophobicContact CD1-CB 4.03Å; S563-D566 WeakPolarHBondContact CA-OD2 3.28Å; S563-D566 WeakPolarHBondContact CB-OD2 3.36Å; S563-D566 PolarHBondContact N-OD2 3.45Å; S563-D566 WeakPolarHBondContact O-CA 3.21Å; S563-D566 WeakPolarHBondContact O-CB 3.45Å; S563-D566 PolarHBondContact O-N 3.16Å; S563-D566 PolarHBondContact OG-OD2 2.75Å; D566-M568 VanDerWaalsContact C-N 3.35Å; D566-L569 PolarHBondContact O-N 3.01Å; D566-S570 VanDerWaalsContact O-CB 3.3Å; D566-S570 WeakPolarHBondContact O-CB 3.44Å; D566-S570 PolarHBondContact O-N 2.92Å
567	V	96.4	Very high	95.4	Very high	16 Å²	16	24.8 Å²	24.8	10%	0.097	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-46.4	170.3	-171.3	0	0	0	0	111.1	P550 M551 S563 A571 I597 T599	P550-V567 HydrophobicContact CB-CG2 4.22Å; P550-V567 WeakPolarHBondContact O-CG2 3.01Å; M551-V567 HydrophobicContact CG-CG1 4.31Å; S563-V567 PolarHBondContact O-N 3.42Å; V567-A571 WeakPolarHBondContact O-CB 3.15Å; V567-A571 PolarHBondContact O-N 2.75Å; V567-I597 WeakPolarHBondContact CG1-O 3.18Å; V567-T599 HydrophobicContact CG1-CG2 4Å
568	M	96.5	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-45.7	176.3	-178.9	-78.6	-53	0	0	111.7	N565 D566 A571 V572 H598 K600 R603 L624	N565-M568 PolarHBondContact O-N 2.84Å; D566-M568 VanDerWaalsContact C-N 3.35Å; M568-A571 WeakPolarHBondContact O-CB 3.35Å; M568-A571 PolarHBondContact O-N 2.94Å; M568-V572 VanDerWaalsContact O-CG2 3.31Å; M568-V572 WeakPolarHBondContact O-CG2 3.24Å; M568-V572 PolarHBondContact O-N 3.16Å; M568-V572 HydrophobicContact SD-CG2 3.94Å; M568-H598 HydrophobicContact CB-CB 4.28Å; M568-H598 HydrophobicContact CG-CB 4.24Å; M568-H598 PolarHBondContact N-O 3.41Å; M568-K600 HydrophobicContact CB-CB 4.21Å; M568-K600 HydrophobicContact CG-CB 4.38Å; M568-R603 HydrophobicContact CE-CG 3.97Å; M568-R603 HydrophobicContact SD-CG 4.35Å; M568-L624 HydrophobicContact CE-CD2 4.19Å
569	L	97.6	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-67.3	-38.4	-179.9	-172	65.8	0	0	0	112.3	F522 H524 Y545 N565 D566 V572 V573 F604 I622	F522-L569 HydrophobicContact CZ-CD2 4.26Å; H524-L569 HydrophobicContact CB-CD2 3.69Å; H524-L569 WeakPolarHBondContact CD2-CD2 3.12Å; Y545-L569 HydrophobicContact CD1-CB 4.21Å; Y545-L569 HydrophobicContact CD1-CD2 4.09Å; Y545-L569 HydrophobicContact CD1-CG 4.23Å; Y545-L569 HydrophobicContact CE1-CB 4.43Å; Y545-L569 HydrophobicContact CE1-CD2 4.07Å; N565-L569 WeakPolarHBondContact O-CB 3.5Å; N565-L569 PolarHBondContact O-N 3.37Å; D566-L569 PolarHBondContact O-N 3.01Å; L569-V572 WeakPolarHBondContact O-CB 3.49Å; L569-V572 PolarHBondContact O-N 3.33Å; L569-V573 HydrophobicContact CG-CG2 4.47Å; L569-V573 WeakPolarHBondContact O-CB 3.47Å; L569-V573 VanDerWaalsContact O-CG2 3.27Å; L569-V573 WeakPolarHBondContact O-CG2 3.23Å; L569-V573 PolarHBondContact O-N 2.81Å; L569-F604 HydrophobicContact CD1-CE2 3.74Å; L569-F604 HydrophobicContact CD1-CZ 3.65Å; L569-I622 HydrophobicContact CD1-CG2 3.88Å
570	S	98.2	Very high	96.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-41.1	175.5	178.1	0	0	0	0	112	Y545 G548 D566 V572 V573 M574	Y545-S570 PolarHBondContact O-OG 3.1Å; G548-S570 WeakPolarHBondContact CA-OG 3.41Å; D566-S570 VanDerWaalsContact O-CB 3.3Å; D566-S570 WeakPolarHBondContact O-CB 3.44Å; D566-S570 PolarHBondContact O-N 2.92Å; S570-V572 VanDerWaalsContact C-N 3.32Å; S570-V572 PolarHBondContact O-N 3.14Å; S570-V573 PolarHBondContact O-N 3.2Å; S570-M574 WeakPolarHBondContact O-CB 3.43Å; S570-M574 WeakPolarHBondContact O-CG 3.31Å; S570-M574 PolarHBondContact O-N 3.41Å
571	A	97.6	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.2	-43.4	171.8	0	0	0	0	0	112.2	Y244 M551 V567 M568 T575 H598	Y244-A571 HydrophobicContact CE2-CB 4.12Å; Y244-A571 PolarHBondContact OH-O 3.23Å; Y244-A571 VanDerWaalsContact OH-O 3.04Å; M551-A571 HydrophobicContact CE-CB 3.5Å; V567-A571 WeakPolarHBondContact O-CB 3.15Å; V567-A571 PolarHBondContact O-N 2.75Å; M568-A571 WeakPolarHBondContact O-CB 3.35Å; M568-A571 PolarHBondContact O-N 2.94Å; A571-T575 WeakPolarHBondContact O-CB 3.43Å; A571-T575 PolarHBondContact O-N 3.36Å; A571-T575 PolarHBondContact O-OG1 3.04Å; A571-H598 WeakPolarHBondContact CB-CD2 3.29Å
572	V	97.9	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-49.6	175.6	167.3	0	0	0	0	111.8	M568 L569 S570 T575 Y576 Q592 N602 F604	M568-V572 VanDerWaalsContact O-CG2 3.31Å; M568-V572 WeakPolarHBondContact O-CG2 3.24Å; M568-V572 PolarHBondContact O-N 3.16Å; M568-V572 HydrophobicContact SD-CG2 3.94Å; L569-V572 WeakPolarHBondContact O-CB 3.49Å; L569-V572 PolarHBondContact O-N 3.33Å; S570-V572 VanDerWaalsContact C-N 3.32Å; S570-V572 PolarHBondContact O-N 3.14Å; V572-T575 WeakPolarHBondContact O-CB 3.44Å; V572-T575 PolarHBondContact O-N 3.21Å; V572-Y576 HydrophobicContact CG1-CD2 3.69Å; V572-Y576 HydrophobicContact CG1-CE2 3.43Å; V572-Y576 VanDerWaalsContact CG1-CE2 3.43Å; V572-Y576 WeakPolarHBondContact O-CD2 3.47Å; V572-Y576 PolarHBondContact O-N 2.97Å; V572-Q592 PolarHBondContact O-NE2 2.98Å; V572-N602 WeakPolarHBondContact CG2-ND2 3.36Å; V572-N602 WeakPolarHBondContact CG2-OD1 3.47Å; V572-F604 HydrophobicContact CB-CD2 4.14Å; V572-F604 HydrophobicContact CB-CE2 4.24Å; V572-F604 HydrophobicContact CG1-CB 4.18Å; V572-F604 HydrophobicContact CG1-CD1 3.69Å; V572-F604 HydrophobicContact CG1-CD2 3.6Å; V572-F604 HydrophobicContact CG1-CE1 3.76Å; V572-F604 HydrophobicContact CG1-CE2 3.71Å; V572-F604 HydrophobicContact CG1-CG 3.58Å; V572-F604 HydrophobicContact CG1-CZ 3.77Å; V572-F604 HydrophobicContact CG2-CB 4.34Å; V572-F604 HydrophobicContact CG2-CD2 3.56Å; V572-F604 HydrophobicContact CG2-CE2 4.01Å; V572-F604 HydrophobicContact CG2-CG 4.1Å
573	V	98.6	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-49.8	-178.5	169	0	0	0	0	110.4	F522 V546 L569 S570 T575 Y576 W577 I622	F522-V573 HydrophobicContact CE2-CG2 3.98Å; V546-V573 HydrophobicContact CB-CG1 4.33Å; V546-V573 HydrophobicContact CG2-CG1 3.57Å; L569-V573 HydrophobicContact CG-CG2 4.47Å; L569-V573 WeakPolarHBondContact O-CB 3.47Å; L569-V573 VanDerWaalsContact O-CG2 3.27Å; L569-V573 WeakPolarHBondContact O-CG2 3.23Å; L569-V573 PolarHBondContact O-N 2.81Å; S570-V573 PolarHBondContact O-N 3.2Å; V573-T575 VanDerWaalsContact C-N 3.27Å; V573-T575 PolarHBondContact O-N 2.72Å; V573-Y576 PolarHBondContact O-N 3.46Å; V573-W577 HydrophobicContact CG1-CD2 4.08Å; V573-W577 HydrophobicContact CG1-CE3 3.85Å; V573-W577 HydrophobicContact CG1-CH2 4.37Å; V573-W577 HydrophobicContact CG1-CZ3 4.02Å; V573-W577 WeakPolarHBondContact O-CB 3.49Å; V573-W577 VanDerWaalsContact O-CE3 3.32Å; V573-W577 PolarHBondContact O-N 3.08Å; V573-I622 HydrophobicContact CG2-CG2 4.09Å
574	M	98.6	Very high	97.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.9	-32.2	176	-67.9	-165.5	-68.6	0	0	112.8	V240 L241 Y244 V546 G548 M551 S570 T578	V240-M574 HydrophobicContact CG1-CE 4.07Å; V240-M574 HydrophobicContact CG1-SD 4.3Å; L241-M574 HydrophobicContact CB-SD 4.18Å; L241-M574 HydrophobicContact CD1-CB 4.13Å; L241-M574 HydrophobicContact CD1-CG 3.84Å; L241-M574 HydrophobicContact CD1-SD 3.98Å; Y244-M574 HydrophobicContact CD1-CB 3.62Å; Y244-M574 HydrophobicContact CD1-CE 3.95Å; Y244-M574 HydrophobicContact CD1-SD 4.38Å; Y244-M574 HydrophobicContact CD2-CE 4.11Å; Y244-M574 HydrophobicContact CE1-CB 3.79Å; Y244-M574 HydrophobicContact CE1-CE 4.49Å; Y244-M574 HydrophobicContact CG-CE 3.76Å; Y244-M574 HydrophobicContact CG-SD 4.47Å; V546-M574 WeakPolarHBondContact O-CG 3.43Å; G548-M574 VanDerWaalsContact CA-SD 3.54Å; M551-M574 HydrophobicContact CE-CE 3.33Å; M551-M574 HydrophobicContact CG-CE 4.44Å; M551-M574 HydrophobicContact SD-CE 3.56Å; M551-M574 VanDerWaalsContact SD-CE 3.56Å; S570-M574 WeakPolarHBondContact O-CB 3.43Å; S570-M574 WeakPolarHBondContact O-CG 3.31Å; S570-M574 PolarHBondContact O-N 3.41Å; M574-T578 VanDerWaalsContact O-CB 3.29Å; M574-T578 WeakPolarHBondContact O-CB 3.45Å; M574-T578 WeakPolarHBondContact O-CG2 3.35Å; M574-T578 PolarHBondContact O-N 3.03Å; M574-T578 PolarHBondContact O-OG1 2.84Å
575	T	98.3	Very high	97.7	Very high	5 Å²	5	10 Å²	10	3%	0.031	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-54.6	172	-66.5	0	0	0	0	110.5	Y244 A571 V572 V573 W577 T578 N579 V590	Y244-T575 PolarHBondContact OH-OG1 3.45Å; A571-T575 WeakPolarHBondContact O-CB 3.43Å; A571-T575 PolarHBondContact O-N 3.36Å; A571-T575 PolarHBondContact O-OG1 3.04Å; V572-T575 WeakPolarHBondContact O-CB 3.44Å; V572-T575 PolarHBondContact O-N 3.21Å; V573-T575 VanDerWaalsContact C-N 3.27Å; V573-T575 PolarHBondContact O-N 2.72Å; T575-W577 PolarHBondContact O-N 3.39Å; T575-T578 PolarHBondContact O-N 2.92Å; T575-T578 PolarHBondContact O-OG1 3.31Å; T575-N579 WeakPolarHBondContact O-CB 3.36Å; T575-N579 PolarHBondContact O-N 2.66Å; T575-N579 PolarHBondContact O-ND2 3.5Å; T575-V590 HydrophobicContact CG2-CB 4.23Å; T575-V590 HydrophobicContact CG2-CG1 4.24Å; T575-V590 WeakPolarHBondContact CG2-O 3.45Å
576	Y	98.7	Very high	97.8	Very high	1 Å²	1	8.1 Å²	8.1	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-60.9	-47	179.6	-71.4	-53.7	0	0	0	112.8	V572 V573 T578 N579 F580 P586 Q592 F604 V607 W609 L620	V572-Y576 HydrophobicContact CG1-CD2 3.69Å; V572-Y576 HydrophobicContact CG1-CE2 3.43Å; V572-Y576 VanDerWaalsContact CG1-CE2 3.43Å; V572-Y576 WeakPolarHBondContact O-CD2 3.47Å; V572-Y576 PolarHBondContact O-N 2.97Å; V573-Y576 PolarHBondContact O-N 3.46Å; Y576-T578 PolarHBondContact O-N 3.47Å; Y576-N579 PolarHBondContact O-N 2.68Å; Y576-F580 WeakPolarHBondContact O-CB 3.32Å; Y576-F580 PolarHBondContact O-N 2.61Å; Y576-P586 HydrophobicContact CD1-CB 3.94Å; Y576-P586 WeakPolarHBondContact CD1-O 3.47Å; Y576-P586 HydrophobicContact CG-CB 4.38Å; Y576-P586 WeakPolarHBondContact O-CA 3.41Å; Y576-Q592 VanDerWaalsContact CD2-NE2 3.3Å; Y576-Q592 HydrophobicContact CE1-CG 3.98Å; Y576-Q592 VanDerWaalsContact CE2-NE2 3.31Å; Y576-F604 AromaticContact CE2-CD1 3.72Å; Y576-F604 HydrophobicContact CE2-CD1 3.72Å; Y576-F604 HydrophobicContact CE2-CE1 4.1Å; Y576-F604 HydrophobicContact CE2-CG 4.46Å; Y576-F604 WeakPolarHBondContact OH-CD1 3.42Å; Y576-V607 PolarHBondContact OH-O 3.07Å; Y576-W609 AromaticContact CD1-CE3 3.82Å; Y576-W609 HydrophobicContact CD1-CE3 3.82Å; Y576-W609 HydrophobicContact CD1-CZ3 4.43Å; Y576-W609 HydrophobicContact CD2-CE3 4.06Å; Y576-W609 HydrophobicContact CD2-CZ3 4.14Å; Y576-W609 HydrophobicContact CE1-CB 4.28Å; Y576-W609 HydrophobicContact CE1-CE3 4.19Å; Y576-W609 HydrophobicContact CE2-CE3 4.4Å; Y576-W609 AromaticContact CG-CE3 3.75Å; Y576-W609 HydrophobicContact CG-CE3 3.75Å; Y576-W609 AromaticContact CG-CZ3 3.92Å; Y576-W609 HydrophobicContact CG-CZ3 3.92Å; Y576-L620 HydrophobicContact CD2-CD2 4.16Å; Y576-L620 HydrophobicContact CE2-CD2 3.57Å
577	W	98.8	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.8	-45.5	-179.9	-94.3	-125.9	0	0	0	111.8	M220 I328 Q330 L419 Y520 V546 V573 T575 F580 A581 W609 I622	M220-W577 HydrophobicContact CE-CB 4.42Å; I328-W577 HydrophobicContact CD1-CB 4.44Å; I328-W577 HydrophobicContact CD1-CG 4.06Å; Q330-W577 HydrophobicContact CG-CZ2 4.28Å; L419-W577 HydrophobicContact CD2-CH2 4.09Å; L419-W577 HydrophobicContact CD2-CZ2 4.1Å; L419-W577 HydrophobicContact CD2-CZ3 4.38Å; Y520-W577 AromaticContact CD1-CH2 3.88Å; Y520-W577 HydrophobicContact CD1-CH2 3.88Å; Y520-W577 HydrophobicContact CD1-CZ2 4.42Å; Y520-W577 AromaticContact CE1-CH2 3.77Å; Y520-W577 HydrophobicContact CE1-CH2 3.77Å; Y520-W577 AromaticContact CE1-CZ2 3.88Å; Y520-W577 HydrophobicContact CE1-CZ2 3.88Å; Y520-W577 HydrophobicContact CE2-CH2 4.48Å; Y520-W577 HydrophobicContact CG-CH2 4.27Å; V546-W577 HydrophobicContact CG2-CD2 4.41Å; V546-W577 HydrophobicContact CG2-CZ2 4.02Å; V573-W577 HydrophobicContact CG1-CD2 4.08Å; V573-W577 HydrophobicContact CG1-CE3 3.85Å; V573-W577 HydrophobicContact CG1-CH2 4.37Å; V573-W577 HydrophobicContact CG1-CZ3 4.02Å; V573-W577 WeakPolarHBondContact O-CB 3.49Å; V573-W577 VanDerWaalsContact O-CE3 3.32Å; V573-W577 PolarHBondContact O-N 3.08Å; T575-W577 PolarHBondContact O-N 3.39Å; W577-F580 PolarHBondContact O-N 2.92Å; W577-A581 PolarHBondContact O-N 3.11Å; W577-W609 HydrophobicContact CH2-CH2 4.49Å; W577-W609 HydrophobicContact CZ3-CH2 4.02Å; W577-W609 HydrophobicContact CZ3-CZ3 4.02Å; W577-I622 HydrophobicContact CH2-CD1 4.07Å; W577-I622 HydrophobicContact CZ3-CD1 3.94Å
578	T	98.6	Very high	97.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-78.5	-29	-177.4	67.1	0	0	0	0	112.3	M220 L241 V247 M574 T575 Y576 A581 K582	M220-T578 HydrophobicContact SD-CG2 4.04Å; L241-T578 HydrophobicContact CD1-CG2 3.52Å; V247-T578 HydrophobicContact CG1-CG2 4.44Å; V247-T578 HydrophobicContact CG2-CG2 4.02Å; M574-T578 VanDerWaalsContact O-CB 3.29Å; M574-T578 WeakPolarHBondContact O-CB 3.45Å; M574-T578 WeakPolarHBondContact O-CG2 3.35Å; M574-T578 PolarHBondContact O-N 3.03Å; M574-T578 PolarHBondContact O-OG1 2.84Å; T575-T578 PolarHBondContact O-N 2.92Å; T575-T578 PolarHBondContact O-OG1 3.31Å; Y576-T578 PolarHBondContact O-N 3.47Å; T578-A581 PolarHBondContact O-N 3.47Å; T578-K582 WeakPolarHBondContact O-CB 3.41Å; T578-K582 WeakPolarHBondContact O-CD 3.48Å; T578-K582 WeakPolarHBondContact O-CE 3.44Å; T578-K582 WeakPolarHBondContact O-CG 2.9Å; T578-K582 PolarHBondContact O-N 3.01Å; T578-K582 PolarHBondContact OG1-NZ 2.93Å
579	N	98.4	Very high	97.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-49	167.9	-83.8	-8.2	0	0	0	111.4	T575 Y576 A581 K582 T583 D585 P586 L588 P589 V590	T575-N579 WeakPolarHBondContact O-CB 3.36Å; T575-N579 PolarHBondContact O-N 2.66Å; T575-N579 PolarHBondContact O-ND2 3.5Å; Y576-N579 PolarHBondContact O-N 2.68Å; N579-A581 VanDerWaalsContact C-N 3.33Å; N579-A581 PolarHBondContact O-N 2.86Å; N579-K582 WeakPolarHBondContact O-CA 3.24Å; N579-K582 WeakPolarHBondContact O-CB 3.46Å; N579-K582 PolarHBondContact O-N 2.97Å; N579-T583 PolarHBondContact O-N 2.74Å; N579-T583 PolarHBondContact O-OG1 2.8Å; N579-T583 VanDerWaalsContact O-OG1 3.11Å; N579-D585 CarbonylContact C-O 3.59Å; N579-P586 WeakPolarHBondContact CB-O 3.02Å; N579-P586 PolarHBondContact ND2-O 2.78Å; N579-L588 CarbonylContact C-O 3.56Å; N579-L588 VanDerWaalsContact CA-O 3.26Å; N579-L588 WeakPolarHBondContact CA-O 3.39Å; N579-L588 WeakPolarHBondContact CB-O 3.45Å; N579-L588 VanDerWaalsContact CG-C 3.47Å; N579-L588 VanDerWaalsContact O-O 3.11Å; N579-P589 WeakPolarHBondContact OD1-CD 3.37Å; N579-V590 PolarHBondContact ND2-O 2.71Å; N579-V590 WeakPolarHBondContact OD1-CB 3.39Å; N579-V590 PolarHBondContact OD1-N 3.29Å; N579-V590 VanDerWaalsContact OD1-N 3.11Å
580	F	98.8	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.5	-46.1	175.2	-178.7	-101.8	0	0	0	111.4	R326 A327 I328 D417 L419 Y518 Y576 W577 K582 T583 G584 P586	R326-F580 HydrophobicContact CB-CE1 3.92Å; R326-F580 HydrophobicContact CB-CZ 4.28Å; R326-F580 WeakPolarHBondContact CD-O 3.45Å; A327-F580 WeakPolarHBondContact O-CE1 3.12Å; I328-F580 HydrophobicContact CD1-CD1 3.89Å; I328-F580 HydrophobicContact CD1-CE1 4.46Å; I328-F580 HydrophobicContact CG1-CD1 3.72Å; I328-F580 HydrophobicContact CG1-CE1 3.79Å; D417-F580 HydrophobicContact CB-CE2 3.85Å; D417-F580 HydrophobicContact CB-CZ 3.66Å; L419-F580 HydrophobicContact CB-CD1 4.02Å; L419-F580 HydrophobicContact CB-CD2 4.35Å; L419-F580 HydrophobicContact CB-CE1 3.84Å; L419-F580 HydrophobicContact CB-CE2 4.19Å; L419-F580 HydrophobicContact CB-CG 4.26Å; L419-F580 HydrophobicContact CB-CZ 3.93Å; L419-F580 HydrophobicContact CD1-CB 4.11Å; L419-F580 HydrophobicContact CD1-CD1 4.33Å; L419-F580 HydrophobicContact CD1-CD2 4.33Å; L419-F580 HydrophobicContact CD1-CG 4Å; Y518-F580 HydrophobicContact CD2-CD2 4.26Å; Y518-F580 HydrophobicContact CD2-CE2 4.04Å; Y518-F580 HydrophobicContact CE2-CE2 4.42Å; Y576-F580 WeakPolarHBondContact O-CB 3.32Å; Y576-F580 PolarHBondContact O-N 2.61Å; W577-F580 PolarHBondContact O-N 2.92Å; F580-K582 VanDerWaalsContact C-N 3.31Å; F580-K582 PolarHBondContact O-N 3.11Å; F580-T583 PolarHBondContact O-N 2.8Å; F580-G584 WeakPolarHBondContact CD2-O 3.47Å; F580-G584 WeakPolarHBondContact O-CA 3.49Å; F580-G584 PolarHBondContact O-N 3.2Å; F580-P586 HydrophobicContact CB-CB 4.27Å
581	A	98.3	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-35.4	173.6	0	0	0	0	0	113.6	M220 T300 R326 W577 T578 N579	M220-A581 HydrophobicContact CE-CB 4.21Å; M220-A581 HydrophobicContact CG-CB 3.65Å; M220-A581 HydrophobicContact SD-CB 3.66Å; T300-A581 HydrophobicContact CG2-CB 4.27Å; T300-A581 WeakPolarHBondContact OG1-CA 3.23Å; R326-A581 PolarHBondContact NH1-O 3.41Å; R326-A581 VanDerWaalsContact NH1-O 3.11Å; W577-A581 PolarHBondContact O-N 3.11Å; T578-A581 PolarHBondContact O-N 3.47Å; N579-A581 VanDerWaalsContact C-N 3.33Å; N579-A581 PolarHBondContact O-N 2.86Å
582	K	96.7	Very high	96.6	Very high	35 Å²	35	23.6 Å²	23.6	15%	0.152	14%	0.137	C	C	.	.	H	α-helix	trans	-68.5	-40.1	177.5	-72.5	153	-162.8	159.7	0	113.1	P218 G245 T578 N579 F580 P589	P218-K582 HydrophobicContact CG-CB 4.25Å; P218-K582 HydrophobicContact CG-CG 3.62Å; G245-K582 WeakPolarHBondContact O-CE 3.31Å; G245-K582 PolarHBondContact O-NZ 2.97Å; T578-K582 WeakPolarHBondContact O-CB 3.41Å; T578-K582 WeakPolarHBondContact O-CD 3.48Å; T578-K582 WeakPolarHBondContact O-CE 3.44Å; T578-K582 WeakPolarHBondContact O-CG 2.9Å; T578-K582 PolarHBondContact O-N 3.01Å; T578-K582 PolarHBondContact OG1-NZ 2.93Å; N579-K582 WeakPolarHBondContact O-CA 3.24Å; N579-K582 WeakPolarHBondContact O-CB 3.46Å; N579-K582 PolarHBondContact O-N 2.97Å; F580-K582 VanDerWaalsContact C-N 3.31Å; F580-K582 PolarHBondContact O-N 3.11Å; K582-P589 HydrophobicContact CD-CG 4.28Å
583	T	96.6	Very high	96	Very high	58 Å²	58	26.7 Å²	26.7	36%	0.356	15%	0.154	S	C	.	.	H	α-helix	trans	-135.8	-21.1	-162.4	66.9	0	0	0	0	116.8	R326 N579 F580 D585 L588	R326-T583 PolarHBondContact NH2-O 2.85Å; N579-T583 PolarHBondContact O-N 2.74Å; N579-T583 PolarHBondContact O-OG1 2.8Å; N579-T583 VanDerWaalsContact O-OG1 3.11Å; F580-T583 PolarHBondContact O-N 2.8Å; T583-D585 VanDerWaalsContact C-N 3.35Å; T583-D585 PolarHBondContact OG1-N 3.5Å; T583-D585 PolarHBondContact OG1-O 2.85Å; T583-L588 HydrophobicContact CG2-CB 4.24Å; T583-L588 VanDerWaalsContact CG2-O 3.27Å; T583-L588 WeakPolarHBondContact CG2-O 3.22Å; T583-L588 PolarHBondContact OG1-O 2.72Å
584	G	96.6	Very high	95.3	Very high	6 Å²	6	29.7 Å²	29.7	6%	0.062	17%	0.172	C	C	.	.	S	Bend	trans	89.1	-2.6	-166.5	0	0	0	0	0	114.1	R326 D417 Y518 F580	R326-G584 VanDerWaalsContact CZ-N 3.34Å; D417-G584 VanDerWaalsContact OD2-CA 3.3Å; D417-G584 WeakPolarHBondContact OD2-CA 3.24Å; Y518-G584 VanDerWaalsContact CE2-O 3.3Å; Y518-G584 WeakPolarHBondContact CE2-O 3.38Å; F580-G584 WeakPolarHBondContact CD2-O 3.47Å; F580-G584 WeakPolarHBondContact O-CA 3.49Å; F580-G584 PolarHBondContact O-N 3.2Å
585	D	97.7	Very high	94.5	Very high	39 Å²	39	33.4 Å²	33.4	21%	0.209	19%	0.188	C	C	.	.			trans	-124.9	120.3	175	-167	-47	0	0	0	109.6	Y518 N579 T583 N587 L588	Y518-D585 PolarHBondContact OH-OD1 3.48Å; Y518-D585 PolarHBondContact OH-OD2 2.98Å; N579-D585 CarbonylContact C-O 3.59Å; T583-D585 VanDerWaalsContact C-N 3.35Å; T583-D585 PolarHBondContact OG1-N 3.5Å; T583-D585 PolarHBondContact OG1-O 2.85Å; D585-N587 PolarHBondContact O-N 3.21Å; D585-N587 VanDerWaalsContact O-N 3.12Å; D585-N587 WeakPolarHBondContact OD1-CA 3.48Å; D585-N587 VanDerWaalsContact OD1-CB 3.23Å; D585-N587 WeakPolarHBondContact OD1-CB 3.29Å; D585-N587 PolarHBondContact OD1-N 3.45Å; D585-N587 PolarHBondContact OD1-ND2 3.46Å; D585-L588 HydrophobicContact CB-CB 4.35Å; D585-L588 HydrophobicContact CB-CD1 4.31Å; D585-L588 HydrophobicContact CB-CG 4.44Å; D585-L588 PolarHBondContact O-N 3.17Å; D585-L588 VanDerWaalsContact O-N 3.09Å
586	P	98.1	Very high	93.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	179.9	29.5	-34.5	0	0	0	112.7	L419 Y518 Y576 N579 F580 W609	L419-P586 HydrophobicContact CD1-CB 4.39Å; Y518-P586 HydrophobicContact CD1-CG 3.52Å; Y518-P586 HydrophobicContact CD2-CG 4.41Å; Y518-P586 HydrophobicContact CE1-CG 3.69Å; Y518-P586 HydrophobicContact CG-CG 3.89Å; Y576-P586 HydrophobicContact CD1-CB 3.94Å; Y576-P586 WeakPolarHBondContact CD1-O 3.47Å; Y576-P586 HydrophobicContact CG-CB 4.38Å; Y576-P586 WeakPolarHBondContact O-CA 3.41Å; N579-P586 WeakPolarHBondContact CB-O 3.02Å; N579-P586 PolarHBondContact ND2-O 2.78Å; F580-P586 HydrophobicContact CB-CB 4.27Å; P586-W609 HydrophobicContact CB-CD2 4.41Å; P586-W609 HydrophobicContact CB-CE3 3.8Å; P586-W609 HydrophobicContact CB-CZ3 4.21Å; P586-W609 HydrophobicContact CG-CB 4.21Å; P586-W609 HydrophobicContact CG-CD2 3.87Å; P586-W609 HydrophobicContact CG-CE3 3.79Å; P586-W609 HydrophobicContact CG-CG 4.1Å; P586-W609 HydrophobicContact CG-CZ3 4.47Å
587	N	96.9	Very high	92.4	Very high	37 Å²	37	42.5 Å²	42.5	20%	0.198	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.5	177.2	-50.3	-83.2	0	0	0	113.3	D585 W609	D585-N587 PolarHBondContact O-N 3.21Å; D585-N587 VanDerWaalsContact O-N 3.12Å; D585-N587 WeakPolarHBondContact OD1-CA 3.48Å; D585-N587 VanDerWaalsContact OD1-CB 3.23Å; D585-N587 WeakPolarHBondContact OD1-CB 3.29Å; D585-N587 PolarHBondContact OD1-N 3.45Å; D585-N587 PolarHBondContact OD1-ND2 3.46Å; N587-W609 PolarHBondContact ND2-O 2.93Å; N587-W609 PolarHBondContact OD1-N 3.45Å
588	L	92.9	Very high	91.5	Very high	94 Å²	94	42.7 Å²	42.7	49%	0.492	23%	0.229	S	C	.	.	S	Bend	trans	-132.1	139.6	-170.4	-62.9	175.9	0	0	0	113.9	N579 T583 D585	N579-L588 CarbonylContact C-O 3.56Å; N579-L588 VanDerWaalsContact CA-O 3.26Å; N579-L588 WeakPolarHBondContact CA-O 3.39Å; N579-L588 WeakPolarHBondContact CB-O 3.45Å; N579-L588 VanDerWaalsContact CG-C 3.47Å; N579-L588 VanDerWaalsContact O-O 3.11Å; T583-L588 HydrophobicContact CG2-CB 4.24Å; T583-L588 VanDerWaalsContact CG2-O 3.27Å; T583-L588 WeakPolarHBondContact CG2-O 3.22Å; T583-L588 PolarHBondContact OG1-O 2.72Å; D585-L588 HydrophobicContact CB-CB 4.35Å; D585-L588 HydrophobicContact CB-CD1 4.31Å; D585-L588 HydrophobicContact CB-CG 4.44Å; D585-L588 PolarHBondContact O-N 3.17Å; D585-L588 VanDerWaalsContact O-N 3.09Å
589	P	94.9	Very high	90.8	Very high	82 Å²	82	46 Å²	46	53%	0.532	25%	0.249	S	C	.	.	S	Bend	cis	-98	-3.4	8.1	38.4	-35.7	0	0	0	114.3	N579 K582 P591	N579-P589 WeakPolarHBondContact OD1-CD 3.37Å; K582-P589 HydrophobicContact CD-CG 4.28Å; P589-P591 WeakPolarHBondContact O-CD 3.31Å
590	V	91.4	Very high	90.4	Very high	48 Å²	48	50.7 Å²	50.7	29%	0.291	27%	0.27	S	S	.	.	S	Bend	trans	-97.3	113.5	-174	-173.6	0	0	0	0	110.4	T575 N579	T575-V590 HydrophobicContact CG2-CB 4.23Å; T575-V590 HydrophobicContact CG2-CG1 4.24Å; T575-V590 WeakPolarHBondContact CG2-O 3.45Å; N579-V590 PolarHBondContact ND2-O 2.71Å; N579-V590 WeakPolarHBondContact OD1-CB 3.39Å; N579-V590 PolarHBondContact OD1-N 3.29Å; N579-V590 VanDerWaalsContact OD1-N 3.11Å
591	P	90.6	Very high	89.9	Confident	73 Å²	73	55 Å²	55	47%	0.474	30%	0.297	S	S	.	.			trans	-69.2	157.5	173.9	28.1	-33.8	0	0	0	112.2	P589 D593	P589-P591 WeakPolarHBondContact O-CD 3.31Å; P591-D593 WeakPolarHBondContact CB-OD1 3.42Å; P591-D593 VanDerWaalsContact CG-OD1 3.3Å; P591-D593 WeakPolarHBondContact CG-OD1 3.22Å; P591-D593 PolarHBondContact O-N 2.91Å
592	Q	90.9	Very high	89.7	Confident	15 Å²	15	55.2 Å²	55.2	7%	0.07	30%	0.299	C	S	.	.			trans	-77.6	42.8	-175.8	-72.2	-72	-2.2	0	0	113.3	V572 Y576 N602 F604 E605	V572-Q592 PolarHBondContact O-NE2 2.98Å; Y576-Q592 VanDerWaalsContact CD2-NE2 3.3Å; Y576-Q592 HydrophobicContact CE1-CG 3.98Å; Y576-Q592 VanDerWaalsContact CE2-NE2 3.31Å; Q592-N602 PolarHBondContact O-ND2 3.36Å; Q592-N602 PolarHBondContact OE1-ND2 3.43Å; Q592-F604 HydrophobicContact CB-CB 4.2Å; Q592-F604 HydrophobicContact CG-CB 4.22Å; Q592-E605 WeakPolarHBondContact O-CG 3.38Å
593	D	85.7	Confident	89.5	Confident	66 Å²	66	58.9 Å²	58.9	35%	0.353	31%	0.312	S	S	.	.			trans	-72.2	146.7	-176.8	-22.5	-63	0	0	0	113.2	P591 K595 H598	P591-D593 WeakPolarHBondContact CB-OD1 3.42Å; P591-D593 VanDerWaalsContact CG-OD1 3.3Å; P591-D593 WeakPolarHBondContact CG-OD1 3.22Å; P591-D593 PolarHBondContact O-N 2.91Å; D593-K595 PolarHBondContact O-N 2.96Å; D593-K595 VanDerWaalsContact O-N 3.11Å; D593-K595 WeakPolarHBondContact OD2-CE 3.2Å; D593-K595 IonicContact OD2-NZ 2.65Å; D593-K595 PolarHBondContact OD2-NZ 3.04Å; D593-H598 PolarHBondContact O-CE1 2.89Å
594	T	84	Confident	89.5	Confident	63 Å²	63	56.2 Å²	56.2	39%	0.387	30%	0.295	S	S	.	.			trans	-61	111.5	164.9	-61.9	0	0	0	0	111.4	P601 N602 E605	T594-P601 WeakPolarHBondContact OG1-CA 3.45Å; T594-N602 PolarHBondContact OG1-N 2.93Å; T594-E605 WeakPolarHBondContact CB-OE1 3.25Å; T594-E605 PolarHBondContact N-OE1 3.45Å; T594-E605 PolarHBondContact OG1-OE1 3.31Å
595	K	81.5	Confident	89.2	Confident	77 Å²	77	61.1 Å²	61.1	34%	0.335	32%	0.317	S	S	.	.			trans	-122.4	153.7	172.9	-64.2	163.2	-172.5	153.3	0	109.8	D593 I597 H598	D593-K595 PolarHBondContact O-N 2.96Å; D593-K595 VanDerWaalsContact O-N 3.11Å; D593-K595 WeakPolarHBondContact OD2-CE 3.2Å; D593-K595 IonicContact OD2-NZ 2.65Å; D593-K595 PolarHBondContact OD2-NZ 3.04Å; K595-I597 HydrophobicContact CB-CG2 4.14Å; K595-I597 PolarHBondContact O-N 3.42Å; K595-H598 PolarHBondContact N-ND1 3.38Å; K595-H598 VanDerWaalsContact N-ND1 3.14Å; K595-H598 WeakPolarHBondContact O-CB 3.45Å; K595-H598 PolarHBondContact O-N 3.27Å; K595-H598 PolarHBondContact O-ND1 3.48Å
596	F	72.8	Confident	88.8	Confident	192 Å²	192	68.3 Å²	68.3	84%	0.842	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-47.1	-38	-175.3	-69.7	-73.9	0	0	0	114.8	I101 H598 T599	I101-F596 HydrophobicContact CD1-CB 4.17Å; F596-H598 PolarHBondContact O-N 2.97Å; F596-H598 VanDerWaalsContact O-N 3.09Å; F596-T599 PolarHBondContact O-N 2.68Å
597	I	79.4	Confident	88.6	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.031	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-53	-26.7	176.7	-169	63.2	0	0	0	114.6	I101 L102 Y244 M551 V567 K595	I101-I597 HydrophobicContact CB-CD1 4.07Å; I101-I597 HydrophobicContact CD1-CB 4.38Å; I101-I597 HydrophobicContact CD1-CD1 4.26Å; I101-I597 HydrophobicContact CG2-CB 4.27Å; I101-I597 HydrophobicContact CG2-CD1 4.16Å; L102-I597 HydrophobicContact CD2-CD1 4.13Å; L102-I597 HydrophobicContact CG-CD1 4.38Å; Y244-I597 HydrophobicContact CD2-CG1 4.08Å; Y244-I597 HydrophobicContact CE2-CG1 3.9Å; Y244-I597 HydrophobicContact CE2-CG2 3.93Å; M551-I597 HydrophobicContact CE-CG1 3.9Å; M551-I597 HydrophobicContact SD-CD1 3.86Å; M551-I597 HydrophobicContact SD-CG1 3.86Å; V567-I597 WeakPolarHBondContact CG1-O 3.18Å; K595-I597 HydrophobicContact CB-CG2 4.14Å; K595-I597 PolarHBondContact O-N 3.42Å
598	H	81.3	Confident	88.5	Confident	3 Å²	3	73.4 Å²	73.4	1%	0.014	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-75.6	-22.3	179.8	-58.9	81	0	0	0	112.9	M568 A571 D593 K595 F596 K600 N602	M568-H598 HydrophobicContact CB-CB 4.28Å; M568-H598 HydrophobicContact CG-CB 4.24Å; M568-H598 PolarHBondContact N-O 3.41Å; A571-H598 WeakPolarHBondContact CB-CD2 3.29Å; D593-H598 PolarHBondContact O-CE1 2.89Å; K595-H598 PolarHBondContact N-ND1 3.38Å; K595-H598 VanDerWaalsContact N-ND1 3.14Å; K595-H598 WeakPolarHBondContact O-CB 3.45Å; K595-H598 PolarHBondContact O-N 3.27Å; K595-H598 PolarHBondContact O-ND1 3.48Å; F596-H598 PolarHBondContact O-N 2.97Å; F596-H598 VanDerWaalsContact O-N 3.09Å; H598-K600 VanDerWaalsContact CB-O 3.29Å; H598-K600 WeakPolarHBondContact CB-O 3.43Å; H598-K600 PolarHBondContact O-N 3.35Å; H598-N602 PolarHBondContact NE2-ND2 3.43Å
599	T	84.4	Confident	88.8	Confident	71 Å²	71	69 Å²	69	44%	0.436	35%	0.353	S	S	.	.	S	Bend	trans	58.5	-7.1	-173.5	78.1	0	0	0	0	117.2	K564 V567 F596	K564-T599 WeakPolarHBondContact CB-OG1 3.28Å; K564-T599 PolarHBondContact O-OG1 3.07Å; V567-T599 HydrophobicContact CG1-CG2 4Å; F596-T599 PolarHBondContact O-N 2.68Å
600	K	88.7	Confident	88.9	Confident	100 Å²	100	67.2 Å²	67.2	44%	0.435	34%	0.34	S	S	.	.	S	Bend	trans	-141.9	160	174.4	-79.6	-71.7	-174.4	177	0	109.2	K564 M568 H598 N602	K564-K600 HydrophobicContact CB-CG 3.83Å; K564-K600 WeakPolarHBondContact O-CG 3.49Å; M568-K600 HydrophobicContact CB-CB 4.21Å; M568-K600 HydrophobicContact CG-CB 4.38Å; H598-K600 VanDerWaalsContact CB-O 3.29Å; H598-K600 WeakPolarHBondContact CB-O 3.43Å; H598-K600 PolarHBondContact O-N 3.35Å; K600-N602 PolarHBondContact O-N 2.87Å
601	P	89.4	Confident	89.1	Confident	89 Å²	89	69.8 Å²	69.8	58%	0.578	35%	0.348	S	S	*	.			trans	-54.4	133.6	168.3	-24.5	34.9	0	0	0	111.5	T594 R603	T594-P601 WeakPolarHBondContact OG1-CA 3.45Å; P601-R603 PolarHBondContact O-N 2.89Å
602	N	92.6	Very high	89.5	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.032	33%	0.327	C	S	.	.			trans	-71	122	176.4	-172.9	-22.9	0	0	0	108.7	V572 Q592 T594 H598 K600 F604 E605	V572-N602 WeakPolarHBondContact CG2-ND2 3.36Å; V572-N602 WeakPolarHBondContact CG2-OD1 3.47Å; Q592-N602 PolarHBondContact O-ND2 3.36Å; Q592-N602 PolarHBondContact OE1-ND2 3.43Å; T594-N602 PolarHBondContact OG1-N 2.93Å; H598-N602 PolarHBondContact NE2-ND2 3.43Å; K600-N602 PolarHBondContact O-N 2.87Å; N602-F604 PolarHBondContact O-N 3.16Å; N602-F604 WeakPolarHBondContact OD1-CB 3.48Å; N602-F604 PolarHBondContact OD1-N 2.91Å; N602-E605 HydrophobicContact CB-CG 4.21Å
603	R	93.4	Very high	89.6	Confident	112 Å²	112	68.3 Å²	68.3	42%	0.423	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.1	-177.3	-56	-173.6	-167.5	-157	3.1	113.2	N565 M568 P601 L624 P626	N565-R603 PolarHBondContact OD1-NH2 3.1Å; M568-R603 HydrophobicContact CE-CG 3.97Å; M568-R603 HydrophobicContact SD-CG 4.35Å; P601-R603 PolarHBondContact O-N 2.89Å; R603-L624 VanDerWaalsContact CD-O 3.23Å; R603-L624 WeakPolarHBondContact CD-O 3.4Å; R603-L624 PolarHBondContact NH1-O 3.14Å; R603-P626 HydrophobicContact CB-CG 3.83Å; R603-P626 WeakPolarHBondContact O-CG 3.13Å
604	F	95.6	Very high	89.8	Confident	1 Å²	1	67 Å²	67	0%	0.004	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7.1	-174.4	-62.8	-113.9	0	0	0	112.9	L569 V572 Y576 Q592 N602 E606 V607 L620 I622 P626	L569-F604 HydrophobicContact CD1-CE2 3.74Å; L569-F604 HydrophobicContact CD1-CZ 3.65Å; V572-F604 HydrophobicContact CB-CD2 4.14Å; V572-F604 HydrophobicContact CB-CE2 4.24Å; V572-F604 HydrophobicContact CG1-CB 4.18Å; V572-F604 HydrophobicContact CG1-CD1 3.69Å; V572-F604 HydrophobicContact CG1-CD2 3.6Å; V572-F604 HydrophobicContact CG1-CE1 3.76Å; V572-F604 HydrophobicContact CG1-CE2 3.71Å; V572-F604 HydrophobicContact CG1-CG 3.58Å; V572-F604 HydrophobicContact CG1-CZ 3.77Å; V572-F604 HydrophobicContact CG2-CB 4.34Å; V572-F604 HydrophobicContact CG2-CD2 3.56Å; V572-F604 HydrophobicContact CG2-CE2 4.01Å; V572-F604 HydrophobicContact CG2-CG 4.1Å; Y576-F604 AromaticContact CE2-CD1 3.72Å; Y576-F604 HydrophobicContact CE2-CD1 3.72Å; Y576-F604 HydrophobicContact CE2-CE1 4.1Å; Y576-F604 HydrophobicContact CE2-CG 4.46Å; Y576-F604 WeakPolarHBondContact OH-CD1 3.42Å; Q592-F604 HydrophobicContact CB-CB 4.2Å; Q592-F604 HydrophobicContact CG-CB 4.22Å; N602-F604 PolarHBondContact O-N 3.16Å; N602-F604 WeakPolarHBondContact OD1-CB 3.48Å; N602-F604 PolarHBondContact OD1-N 2.91Å; F604-E606 VanDerWaalsContact C-N 3.26Å; F604-E606 PolarHBondContact O-N 2.92Å; F604-V607 HydrophobicContact CB-CB 4.16Å; F604-V607 HydrophobicContact CD1-CB 4.35Å; F604-V607 HydrophobicContact CD1-CG1 4.32Å; F604-V607 PolarHBondContact O-N 3.49Å; F604-L620 HydrophobicContact CE1-CD1 4.48Å; F604-L620 HydrophobicContact CE1-CD2 4.38Å; F604-I622 HydrophobicContact CZ-CG2 4.29Å; F604-P626 HydrophobicContact CD1-CB 3.48Å; F604-P626 VanDerWaalsContact CD1-CB 3.48Å; F604-P626 HydrophobicContact CD1-CG 4.04Å; F604-P626 HydrophobicContact CD2-CB 4Å; F604-P626 HydrophobicContact CD2-CG 3.76Å; F604-P626 HydrophobicContact CE1-CB 3.28Å; F604-P626 HydrophobicContact CE1-CG 4.13Å; F604-P626 HydrophobicContact CE2-CB 3.79Å; F604-P626 HydrophobicContact CE2-CG 3.82Å; F604-P626 HydrophobicContact CG-CB 3.87Å; F604-P626 HydrophobicContact CG-CG 3.88Å; F604-P626 HydrophobicContact CZ-CB 3.45Å; F604-P626 VanDerWaalsContact CZ-CB 3.45Å; F604-P626 HydrophobicContact CZ-CG 4.03Å
605	E	91	Very high	90.1	Very high	110 Å²	110	71.6 Å²	71.6	51%	0.514	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-42.4	179.3	-77.1	177.5	170.4	0	0	113.2	Q592 T594 N602	Q592-E605 WeakPolarHBondContact O-CG 3.38Å; T594-E605 WeakPolarHBondContact CB-OE1 3.25Å; T594-E605 PolarHBondContact N-OE1 3.45Å; T594-E605 PolarHBondContact OG1-OE1 3.31Å; N602-E605 HydrophobicContact CB-CG 4.21Å
606	E	89.9	Confident	90.7	Very high	189 Å²	189	70.7 Å²	70.7	88%	0.883	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	5.7	177.9	-58.6	-175.1	155.1	0	0	113.3	F604 I608	F604-E606 VanDerWaalsContact C-N 3.26Å; F604-E606 PolarHBondContact O-N 2.92Å; E606-I608 PolarHBondContact O-N 3.04Å
607	V	94.3	Very high	91.7	Very high	25 Å²	25	65 Å²	65	15%	0.152	32%	0.319	C	S	.	.			trans	-102.1	87.8	-170.5	-174	0	0	0	0	111.3	Y576 F604 W609 L620 P626	Y576-V607 PolarHBondContact OH-O 3.07Å; F604-V607 HydrophobicContact CB-CB 4.16Å; F604-V607 HydrophobicContact CD1-CB 4.35Å; F604-V607 HydrophobicContact CD1-CG1 4.32Å; F604-V607 PolarHBondContact O-N 3.49Å; V607-W609 PolarHBondContact O-N 3.48Å; V607-L620 HydrophobicContact CG1-CD1 3.51Å; V607-P626 HydrophobicContact CG2-CB 4.32Å; V607-P626 HydrophobicContact CG2-CG 4.21Å
608	I	94.8	Very high	92.6	Very high	120 Å²	120	67.6 Å²	67.6	62%	0.615	33%	0.331	S	S	*	.			trans	-71.4	121.9	169.3	-55.8	173.3	0	0	0	109	E606 T610 V628	E606-I608 PolarHBondContact O-N 3.04Å; I608-T610 PolarHBondContact O-N 2.97Å; I608-V628 WeakPolarHBondContact O-CG2 3.33Å
609	W	97.8	Very high	93.4	Very high	1 Å²	1	68.5 Å²	68.5	0%	0.004	33%	0.334	C	S	.	.			trans	-79.8	104.8	172.4	-170	-13.5	0	0	0	109.1	L419 Y518 F519 Y520 Y576 W577 P586 N587 V607 L620 I622	L419-W609 HydrophobicContact CD1-CH2 3.65Å; L419-W609 HydrophobicContact CD1-CZ2 4.23Å; L419-W609 HydrophobicContact CD1-CZ3 4.02Å; L419-W609 HydrophobicContact CD2-CH2 3.87Å; L419-W609 HydrophobicContact CD2-CZ2 4.38Å; L419-W609 HydrophobicContact CG-CH2 3.84Å; L419-W609 HydrophobicContact CG-CZ2 4.1Å; Y518-W609 AromaticContact CD1-CD1 3.88Å; Y518-W609 HydrophobicContact CD1-CG 4.16Å; F519-W609 PolarHBondContact O-NE1 2.85Å; Y520-W609 HydrophobicContact CD1-CH2 4.17Å; Y520-W609 HydrophobicContact CD1-CZ2 4.37Å; Y520-W609 HydrophobicContact CG-CH2 4.34Å; Y520-W609 HydrophobicContact CG-CZ2 4.47Å; Y576-W609 AromaticContact CD1-CE3 3.82Å; Y576-W609 HydrophobicContact CD1-CE3 3.82Å; Y576-W609 HydrophobicContact CD1-CZ3 4.43Å; Y576-W609 HydrophobicContact CD2-CE3 4.06Å; Y576-W609 HydrophobicContact CD2-CZ3 4.14Å; Y576-W609 HydrophobicContact CE1-CB 4.28Å; Y576-W609 HydrophobicContact CE1-CE3 4.19Å; Y576-W609 HydrophobicContact CE2-CE3 4.4Å; Y576-W609 AromaticContact CG-CE3 3.75Å; Y576-W609 HydrophobicContact CG-CE3 3.75Å; Y576-W609 AromaticContact CG-CZ3 3.92Å; Y576-W609 HydrophobicContact CG-CZ3 3.92Å; W577-W609 HydrophobicContact CH2-CH2 4.49Å; W577-W609 HydrophobicContact CZ3-CH2 4.02Å; W577-W609 HydrophobicContact CZ3-CZ3 4.02Å; P586-W609 HydrophobicContact CB-CD2 4.41Å; P586-W609 HydrophobicContact CB-CE3 3.8Å; P586-W609 HydrophobicContact CB-CZ3 4.21Å; P586-W609 HydrophobicContact CG-CB 4.21Å; P586-W609 HydrophobicContact CG-CD2 3.87Å; P586-W609 HydrophobicContact CG-CE3 3.79Å; P586-W609 HydrophobicContact CG-CG 4.1Å; P586-W609 HydrophobicContact CG-CZ3 4.47Å; N587-W609 PolarHBondContact ND2-O 2.93Å; N587-W609 PolarHBondContact OD1-N 3.45Å; V607-W609 PolarHBondContact O-N 3.48Å; W609-L620 HydrophobicContact CB-CD2 4.25Å; W609-L620 HydrophobicContact CD2-CB 3.77Å; W609-L620 HydrophobicContact CD2-CD2 3.6Å; W609-L620 HydrophobicContact CD2-CG 4.34Å; W609-L620 HydrophobicContact CE3-CB 4.41Å; W609-L620 HydrophobicContact CE3-CD2 3.43Å; W609-L620 VanDerWaalsContact CE3-CD2 3.43Å; W609-L620 HydrophobicContact CG-CB 3.82Å; W609-L620 HydrophobicContact CG-CD2 3.97Å; W609-L620 HydrophobicContact CG-CG 4.47Å; W609-L620 HydrophobicContact CZ2-CB 4.39Å; W609-L620 HydrophobicContact CZ3-CD2 3.96Å; W609-I622 HydrophobicContact CH2-CD1 4.33Å; W609-I622 HydrophobicContact CZ3-CD1 4.4Å
610	T	97.1	Very high	94	Very high	44 Å²	44	65.1 Å²	65.1	27%	0.27	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-75.7	152.3	178.5	54.4	0	0	0	0	112.1	I608 Q618	I608-T610 PolarHBondContact O-N 2.97Å; T610-Q618 PolarHBondContact OG1-OE1 2.85Å
611	K	96.9	Very high	94.5	Very high	103 Å²	103	61 Å²	61	45%	0.448	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.2	134.8	173.9	-73	-175.6	176.3	-171.3	0	110.5	V517 Y518	V517-K611 WeakPolarHBondContact O-CA 3.25Å; Y518-K611 HydrophobicContact CD1-CG 4.33Å; Y518-K611 HydrophobicContact CE1-CB 4.49Å; Y518-K611 HydrophobicContact CE1-CG 3.62Å; Y518-K611 HydrophobicContact CE2-CG 3.96Å; Y518-K611 VanDerWaalsContact CZ-CG 3.41Å; Y518-K611 WeakPolarHBondContact OH-CE 3.44Å; Y518-K611 WeakPolarHBondContact OH-CG 3.49Å
612	F	97.4	Very high	94.9	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.048	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-65.6	142.1	167.1	176.9	-83	0	0	0	108.9	A507 A511 V517 F519 K617 Q618	A507-F612 HydrophobicContact CB-CD1 4.21Å; A507-F612 HydrophobicContact CB-CE1 3.95Å; A507-F612 HydrophobicContact CB-CE2 4.47Å; A507-F612 HydrophobicContact CB-CZ 4.08Å; A507-F612 VanDerWaalsContact O-CE1 3.31Å; A507-F612 WeakPolarHBondContact O-CE1 3.48Å; A511-F612 HydrophobicContact CB-CD1 4.03Å; A511-F612 HydrophobicContact CB-CE1 4.27Å; V517-F612 HydrophobicContact CB-CB 4.07Å; V517-F612 HydrophobicContact CB-CD1 4.19Å; V517-F612 HydrophobicContact CG1-CB 3.87Å; V517-F612 HydrophobicContact CG1-CD1 3.96Å; V517-F612 HydrophobicContact CG1-CG 4.14Å; V517-F612 PolarHBondContact O-N 3.46Å; F519-F612 HydrophobicContact CB-CB 4.06Å; F519-F612 HydrophobicContact CB-CD2 3.7Å; F519-F612 HydrophobicContact CB-CG 4.16Å; F519-F612 HydrophobicContact CD2-CD2 4.39Å; F519-F612 HydrophobicContact CG-CD2 4.25Å; F612-K617 HydrophobicContact CE2-CB 3.95Å; F612-K617 HydrophobicContact CE2-CG 4.36Å; F612-K617 HydrophobicContact CZ-CB 4.37Å; F612-K617 HydrophobicContact CZ-CG 4.27Å; F612-Q618 WeakPolarHBondContact CB-O 3.39Å; F612-Q618 WeakPolarHBondContact CD2-O 3.31Å
613	N	92.9	Very high	95.1	Very high	46 Å²	46	56.5 Å²	56.5	25%	0.246	27%	0.267	C	S	.	.			trans	-145.6	158.3	172.2	79.5	67	0	0	0	110.2	K615 D616 K617	N613-K615 PolarHBondContact O-N 2.72Å; N613-K615 VanDerWaalsContact O-N 3.15Å; N613-K615 WeakPolarHBondContact OD1-CA 3.32Å; N613-K615 WeakPolarHBondContact OD1-CB 3.12Å; N613-K615 PolarHBondContact OD1-N 3.36Å; N613-D616 PolarHBondContact ND2-OD2 2.82Å; N613-D616 PolarHBondContact OD1-N 3.27Å; N613-D616 PolarHBondContact OD1-OD2 3.09Å; N613-K617 VanDerWaalsContact O-CA 3.26Å; N613-K617 WeakPolarHBondContact O-CA 3.36Å; N613-K617 PolarHBondContact O-N 2.9Å
614	P	90.6	Very high	95.2	Very high	38 Å²	38	53.3 Å²	53.3	25%	0.247	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.7	-169.9	-21.1	34.6	0	0	0	114.5	K508 A511 E512 K617	K508-P614 HydrophobicContact CG-CB 4.48Å; A511-P614 HydrophobicContact CB-CG 3.91Å; E512-P614 HydrophobicContact CB-CG 4.4Å; E512-P614 HydrophobicContact CG-CB 3.8Å; E512-P614 HydrophobicContact CG-CG 3.41Å; E512-P614 VanDerWaalsContact CG-CG 3.41Å; P614-K617 WeakPolarHBondContact O-CE 3.47Å; P614-K617 WeakPolarHBondContact O-CG 3.29Å
615	K	91.1	Very high	95.1	Very high	159 Å²	159	59.5 Å²	59.5	69%	0.691	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-56.4	-178.3	172.3	-176.6	163.3	-88.3	0	111.8	N613	N613-K615 PolarHBondContact O-N 2.72Å; N613-K615 VanDerWaalsContact O-N 3.15Å; N613-K615 WeakPolarHBondContact OD1-CA 3.32Å; N613-K615 WeakPolarHBondContact OD1-CB 3.12Å; N613-K615 PolarHBondContact OD1-N 3.36Å
616	D	92.8	Very high	95.3	Very high	58 Å²	58	55.3 Å²	55.3	31%	0.31	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-15.7	-173.2	-46.9	-55.5	0	0	0	112.6	N613 Q618 D630	N613-D616 PolarHBondContact ND2-OD2 2.82Å; N613-D616 PolarHBondContact OD1-N 3.27Å; N613-D616 PolarHBondContact OD1-OD2 3.09Å; D616-Q618 HydrophobicContact CB-CG 4.08Å; D616-Q618 PolarHBondContact O-N 3Å; D616-Q618 VanDerWaalsContact O-N 3.08Å; D616-D630 WeakPolarHBondContact O-CB 3.42Å
617	K	94.4	Very high	95.6	Very high	73 Å²	73	50.3 Å²	50.3	32%	0.317	24%	0.241	S	C	.	.			trans	46.4	43.6	171.7	-57.4	-179.8	-169.8	171.5	0	113.8	F612 N613 P614 N631	F612-K617 HydrophobicContact CE2-CB 3.95Å; F612-K617 HydrophobicContact CE2-CG 4.36Å; F612-K617 HydrophobicContact CZ-CB 4.37Å; F612-K617 HydrophobicContact CZ-CG 4.27Å; N613-K617 VanDerWaalsContact O-CA 3.26Å; N613-K617 WeakPolarHBondContact O-CA 3.36Å; N613-K617 PolarHBondContact O-N 2.9Å; P614-K617 WeakPolarHBondContact O-CE 3.47Å; P614-K617 WeakPolarHBondContact O-CG 3.29Å; K617-N631 PolarHBondContact O-N 3Å; K617-N631 VanDerWaalsContact O-N 3.11Å
618	Q	97.4	Very high	95.7	Very high	60 Å²	60	51 Å²	51	28%	0.28	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	142.2	-174.6	-67.5	-171.9	-26.5	0	0	112.7	T610 F612 D616 V628 R629	T610-Q618 PolarHBondContact OG1-OE1 2.85Å; F612-Q618 WeakPolarHBondContact CB-O 3.39Å; F612-Q618 WeakPolarHBondContact CD2-O 3.31Å; D616-Q618 HydrophobicContact CB-CG 4.08Å; D616-Q618 PolarHBondContact O-N 3Å; D616-Q618 VanDerWaalsContact O-N 3.08Å; Q618-V628 HydrophobicContact CB-CG1 4.27Å; Q618-V628 HydrophobicContact CG-CG1 4.49Å; Q618-R629 CarbonylContact C-O 3.57Å; Q618-R629 VanDerWaalsContact CA-O 3.27Å; Q618-R629 WeakPolarHBondContact CA-O 3.44Å
619	Y	98.3	Very high	95.8	Very high	23 Å²	23	50.7 Å²	50.7	9%	0.09	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.8	177.9	68.8	-82.3	0	0	0	111.9	F519 T521 H621 V628 R629 D630 Y632	F519-Y619 HydrophobicContact CD1-CG 4.49Å; F519-Y619 CarbonylContact O-C 3.38Å; F519-Y619 VanDerWaalsContact O-CA 3.24Å; F519-Y619 WeakPolarHBondContact O-CA 3.37Å; F519-Y619 WeakPolarHBondContact O-CB 3.36Å; T521-Y619 HydrophobicContact CG2-CD2 3.63Å; T521-Y619 HydrophobicContact CG2-CE2 3.79Å; T521-Y619 HydrophobicContact CG2-CG 4.42Å; T521-Y619 VanDerWaalsContact OG1-CE2 3.32Å; T521-Y619 WeakPolarHBondContact OG1-CE2 3.13Å; Y619-H621 HydrophobicContact CE2-CB 4.24Å; Y619-V628 WeakPolarHBondContact O-CA 3.39Å; Y619-R629 HydrophobicContact CD1-CB 4.16Å; Y619-R629 VanDerWaalsContact CD1-O 3.31Å; Y619-R629 WeakPolarHBondContact CD1-O 3.41Å; Y619-R629 HydrophobicContact CE1-CB 3.46Å; Y619-R629 VanDerWaalsContact CE1-CB 3.46Å; Y619-R629 HydrophobicContact CE2-CB 3.91Å; Y619-R629 PolarHBondContact N-O 3.35Å; Y619-R629 PolarHBondContact O-N 3.49Å; Y619-R629 WeakPolarHBondContact OH-CB 2.86Å; Y619-D630 WeakPolarHBondContact CE1-O 3.48Å; Y619-Y632 HydrophobicContact CE1-CD2 4.23Å; Y619-Y632 HydrophobicContact CE1-CG 4.31Å; Y619-Y632 HydrophobicContact CE2-CD2 4.06Å; Y619-Y632 AromaticContact CZ-CD2 3.73Å
620	L	98.6	Very high	95.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119	169.4	179.1	61.3	0	0	0	110.4	F519 Y520 T521 Y576 F604 V607 W609 I622	F519-L620 PolarHBondContact O-N 3.08Å; Y520-L620 CarbonylContact C-O 3.53Å; Y520-L620 WeakPolarHBondContact CA-O 3.35Å; T521-L620 PolarHBondContact N-O 3.33Å; Y576-L620 HydrophobicContact CD2-CD2 4.16Å; Y576-L620 HydrophobicContact CE2-CD2 3.57Å; F604-L620 HydrophobicContact CE1-CD1 4.48Å; F604-L620 HydrophobicContact CE1-CD2 4.38Å; V607-L620 HydrophobicContact CG1-CD1 3.51Å; W609-L620 HydrophobicContact CB-CD2 4.25Å; W609-L620 HydrophobicContact CD2-CB 3.77Å; W609-L620 HydrophobicContact CD2-CD2 3.6Å; W609-L620 HydrophobicContact CD2-CG 4.34Å; W609-L620 HydrophobicContact CE3-CB 4.41Å; W609-L620 HydrophobicContact CE3-CD2 3.43Å; W609-L620 VanDerWaalsContact CE3-CD2 3.43Å; W609-L620 HydrophobicContact CG-CB 3.82Å; W609-L620 HydrophobicContact CG-CD2 3.97Å; W609-L620 HydrophobicContact CG-CG 4.47Å; W609-L620 HydrophobicContact CZ2-CB 4.39Å; W609-L620 HydrophobicContact CZ3-CD2 3.96Å; L620-I622 HydrophobicContact CB-CG1 4.5Å; L620-I622 HydrophobicContact CD2-CD1 4.26Å; L620-I622 HydrophobicContact CD2-CG1 3.76Å; L620-I622 HydrophobicContact CG-CG1 3.78Å; L620-I622 PolarHBondContact O-N 3.12Å
621	H	98.2	Very high	95.5	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.06	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	103.1	165.1	170.4	-54.5	0	0	0	108.5	Y523 Y619 P626 R627	Y523-H621 WeakPolarHBondContact CB-CE1 3.37Å; Y523-H621 AromaticContact CD1-CD2 3.87Å; Y523-H621 AromaticContact CD1-NE2 3.41Å; Y523-H621 WeakPolarHBondContact CD1-NE2 3.27Å; Y523-H621 AromaticContact CG-CD2 3.77Å; Y523-H621 AromaticContact CG-CE1 3.88Å; Y523-H621 AromaticContact CG-NE2 3.48Å; Y619-H621 HydrophobicContact CE2-CB 4.24Å; H621-P626 WeakPolarHBondContact O-CA 3.48Å; H621-R627 HydrophobicContact CB-CG 4.12Å; H621-R627 WeakPolarHBondContact CB-O 3.26Å; H621-R627 PolarHBondContact CD2-NH1 2.67Å; H621-R627 VanDerWaalsContact CD2-NH1 3.29Å; H621-R627 PolarHBondContact CD2-NH2 3.09Å; H621-R627 PolarHBondContact CE1-NH1 2.98Å; H621-R627 PolarHBondContact N-O 3.15Å; H621-R627 PolarHBondContact ND1-NH1 3.08Å; H621-R627 PolarHBondContact NE2-NH1 2.93Å; H621-R627 PolarHBondContact NE2-NH2 3.07Å
622	I	98.3	Very high	95.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.9	178.2	-59.2	179.4	0	0	0	109.4	Y520 T521 F522 Y523 L569 V573 W577 F604 W609 L620	Y520-I622 HydrophobicContact CD2-CD1 3.99Å; Y520-I622 HydrophobicContact CG-CD1 3.92Å; T521-I622 PolarHBondContact O-N 2.71Å; F522-I622 HydrophobicContact CD2-CB 3.94Å; F522-I622 HydrophobicContact CD2-CD1 4.46Å; F522-I622 HydrophobicContact CD2-CG2 3.68Å; F522-I622 HydrophobicContact CE2-CB 4.34Å; F522-I622 HydrophobicContact CE2-CG2 3.56Å; Y523-I622 PolarHBondContact N-O 2.91Å; L569-I622 HydrophobicContact CD1-CG2 3.88Å; V573-I622 HydrophobicContact CG2-CG2 4.09Å; W577-I622 HydrophobicContact CH2-CD1 4.07Å; W577-I622 HydrophobicContact CZ3-CD1 3.94Å; F604-I622 HydrophobicContact CZ-CG2 4.29Å; W609-I622 HydrophobicContact CH2-CD1 4.33Å; W609-I622 HydrophobicContact CZ3-CD1 4.4Å; L620-I622 HydrophobicContact CB-CG1 4.5Å; L620-I622 HydrophobicContact CD2-CD1 4.26Å; L620-I622 HydrophobicContact CD2-CG1 3.76Å; L620-I622 HydrophobicContact CG-CG1 3.78Å; L620-I622 PolarHBondContact O-N 3.12Å
623	G	96.2	Very high	95.4	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	161.8	-172.1	177.3	0	0	0	0	0	111.6	K625 P626	G623-K625 PolarHBondContact O-N 3.25Å; G623-P626 WeakPolarHBondContact O-CD 3.5Å
624	L	94.7	Very high	95.5	Very high	46 Å²	46	51.4 Å²	51.4	24%	0.241	25%	0.245	C	C	.	.	S	Bend	trans	-70.6	-2.1	-170.9	-54.8	-171.2	0	0	0	116	H524 N565 M568 R603	H524-L624 WeakPolarHBondContact ND1-CG 3.26Å; N565-L624 HydrophobicContact CB-CD1 4.12Å; N565-L624 HydrophobicContact CB-CD2 3.82Å; M568-L624 HydrophobicContact CE-CD2 4.19Å; R603-L624 VanDerWaalsContact CD-O 3.23Å; R603-L624 WeakPolarHBondContact CD-O 3.4Å; R603-L624 PolarHBondContact NH1-O 3.14Å
625	K	95.1	Very high	95.7	Very high	130 Å²	130	54.9 Å²	54.9	57%	0.565	26%	0.261	S	S	*	.	S	Bend	trans	-131.3	66	171.7	-65.7	179.9	-176.5	172.6	0	109.1	G623 R627 L808	G623-K625 PolarHBondContact O-N 3.25Å; K625-R627 PolarHBondContact O-NH1 3.28Å; K625-L808 VanDerWaalsContact NZ-CD1 3.27Å
626	P	94.8	Very high	96	Very high	23 Å²	23	48.2 Å²	48.2	15%	0.149	23%	0.233	C	C	.	.			trans	-69.3	148.5	-169	32.2	-37.2	0	0	0	111.8	R603 F604 V607 H621 G623	R603-P626 HydrophobicContact CB-CG 3.83Å; R603-P626 WeakPolarHBondContact O-CG 3.13Å; F604-P626 HydrophobicContact CD1-CB 3.48Å; F604-P626 VanDerWaalsContact CD1-CB 3.48Å; F604-P626 HydrophobicContact CD1-CG 4.04Å; F604-P626 HydrophobicContact CD2-CB 4Å; F604-P626 HydrophobicContact CD2-CG 3.76Å; F604-P626 HydrophobicContact CE1-CB 3.28Å; F604-P626 HydrophobicContact CE1-CG 4.13Å; F604-P626 HydrophobicContact CE2-CB 3.79Å; F604-P626 HydrophobicContact CE2-CG 3.82Å; F604-P626 HydrophobicContact CG-CB 3.87Å; F604-P626 HydrophobicContact CG-CG 3.88Å; F604-P626 HydrophobicContact CZ-CB 3.45Å; F604-P626 VanDerWaalsContact CZ-CB 3.45Å; F604-P626 HydrophobicContact CZ-CG 4.03Å; V607-P626 HydrophobicContact CG2-CB 4.32Å; V607-P626 HydrophobicContact CG2-CG 4.21Å; H621-P626 WeakPolarHBondContact O-CA 3.48Å; G623-P626 WeakPolarHBondContact O-CD 3.5Å
627	R	95.6	Very high	96.2	Very high	84 Å²	84	46 Å²	46	32%	0.317	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	145.2	-175.7	53.2	-157.6	-166.5	-80.2	-5.6	110.4	H621 K625 R629	H621-R627 HydrophobicContact CB-CG 4.12Å; H621-R627 WeakPolarHBondContact CB-O 3.26Å; H621-R627 PolarHBondContact CD2-NH1 2.67Å; H621-R627 VanDerWaalsContact CD2-NH1 3.29Å; H621-R627 PolarHBondContact CD2-NH2 3.09Å; H621-R627 PolarHBondContact CE1-NH1 2.98Å; H621-R627 PolarHBondContact N-O 3.15Å; H621-R627 PolarHBondContact ND1-NH1 3.08Å; H621-R627 PolarHBondContact NE2-NH1 2.93Å; H621-R627 PolarHBondContact NE2-NH2 3.07Å; K625-R627 PolarHBondContact O-NH1 3.28Å; R627-R629 HydrophobicContact CG-CG 4.23Å
628	V	96.9	Very high	96.3	Very high	40 Å²	40	44.1 Å²	44.1	24%	0.242	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.5	161.2	177.5	0	0	0	0	109	I608 Q618 Y619	I608-V628 WeakPolarHBondContact O-CG2 3.33Å; Q618-V628 HydrophobicContact CB-CG1 4.27Å; Q618-V628 HydrophobicContact CG-CG1 4.49Å; Y619-V628 WeakPolarHBondContact O-CA 3.39Å
629	R	96.4	Very high	96.3	Very high	113 Å²	113	41.6 Å²	41.6	43%	0.426	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	170.7	171.8	-78.2	-65.8	177.3	-87.2	12.6	109.5	Q618 Y619 R627	Q618-R629 CarbonylContact C-O 3.57Å; Q618-R629 VanDerWaalsContact CA-O 3.27Å; Q618-R629 WeakPolarHBondContact CA-O 3.44Å; Y619-R629 HydrophobicContact CD1-CB 4.16Å; Y619-R629 VanDerWaalsContact CD1-O 3.31Å; Y619-R629 WeakPolarHBondContact CD1-O 3.41Å; Y619-R629 HydrophobicContact CE1-CB 3.46Å; Y619-R629 VanDerWaalsContact CE1-CB 3.46Å; Y619-R629 HydrophobicContact CE2-CB 3.91Å; Y619-R629 PolarHBondContact N-O 3.35Å; Y619-R629 PolarHBondContact O-N 3.49Å; Y619-R629 WeakPolarHBondContact OH-CB 2.86Å; R627-R629 HydrophobicContact CG-CG 4.23Å
630	D	95.9	Very high	96.2	Very high	88 Å²	88	41 Å²	41	47%	0.471	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	162.6	-178.3	60.5	-74	0	0	0	110.8	D616 Y619 Y632	D616-D630 WeakPolarHBondContact O-CB 3.42Å; Y619-D630 WeakPolarHBondContact CE1-O 3.48Å; D630-Y632 PolarHBondContact O-N 3.15Å
631	N	93.9	Very high	96	Very high	61 Å²	61	44.5 Å²	44.5	33%	0.326	22%	0.223	S	C	.	.	S	Bend	trans	54.1	46.6	167.7	-67.8	-71.3	0	0	0	114.6	K617 R633 A634	K617-N631 PolarHBondContact O-N 3Å; K617-N631 VanDerWaalsContact O-N 3.11Å; N631-R633 PolarHBondContact O-N 3.11Å; N631-A634 HydrophobicContact CB-CB 3.93Å; N631-A634 WeakPolarHBondContact O-CB 3.46Å; N631-A634 PolarHBondContact O-N 2.87Å; N631-A634 VanDerWaalsContact O-N 3.09Å
632	Y	96.8	Very high	95.8	Very high	12 Å²	12	50.3 Å²	50.3	5%	0.047	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	114	-178.3	-174.6	-127.2	0	0	0	111.9	V422 V500 F519 T521 Y523 Y619 D630 A634	V422-Y632 HydrophobicContact CG2-CD1 4.45Å; V422-Y632 HydrophobicContact CG2-CE1 3.68Å; V500-Y632 HydrophobicContact CB-CE1 4.46Å; V500-Y632 HydrophobicContact CG1-CD1 3.62Å; V500-Y632 HydrophobicContact CG1-CE1 3.51Å; V500-Y632 HydrophobicContact CG2-CE1 4.07Å; F519-Y632 HydrophobicContact CE1-CD1 4.22Å; T521-Y632 HydrophobicContact CG2-CD1 3.63Å; T521-Y632 HydrophobicContact CG2-CD2 3.72Å; T521-Y632 HydrophobicContact CG2-CE1 3.53Å; T521-Y632 HydrophobicContact CG2-CE2 3.64Å; T521-Y632 HydrophobicContact CG2-CG 3.72Å; Y523-Y632 HydrophobicContact CE2-CE2 4.05Å; Y523-Y632 WeakPolarHBondContact OH-CE2 3.42Å; Y619-Y632 HydrophobicContact CE1-CD2 4.23Å; Y619-Y632 HydrophobicContact CE1-CG 4.31Å; Y619-Y632 HydrophobicContact CE2-CD2 4.06Å; Y619-Y632 AromaticContact CZ-CD2 3.73Å; D630-Y632 PolarHBondContact O-N 3.15Å; Y632-A634 PolarHBondContact O-N 2.88Å
633	R	95.6	Very high	95.6	Very high	26 Å²	26	53.8 Å²	53.8	10%	0.098	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	31	177.7	-61.2	173.2	69.7	93.7	-6.7	113.7	D496 N631 N635 K636 V637 D815	D496-R633 VanDerWaalsContact CG-NH2 3.32Å; D496-R633 IonicContact OD1-CZ 3.7Å; D496-R633 IonicContact OD1-NE 3.37Å; D496-R633 PolarHBondContact OD1-NE 3.26Å; D496-R633 IonicContact OD1-NH2 2.75Å; D496-R633 PolarHBondContact OD1-NH2 3.19Å; D496-R633 IonicContact OD2-CZ 3.67Å; D496-R633 IonicContact OD2-NE 2.81Å; D496-R633 IonicContact OD2-NH2 3.83Å; D496-R633 PolarHBondContact OD2-NH2 3.29Å; N631-R633 PolarHBondContact O-N 3.11Å; R633-N635 PolarHBondContact O-N 2.98Å; R633-K636 WeakPolarHBondContact O-CA 3.36Å; R633-K636 PolarHBondContact O-N 3.15Å; R633-V637 PolarHBondContact O-N 3.18Å; R633-V637 VanDerWaalsContact O-N 3.09Å; R633-D815 WeakPolarHBondContact CD-OD1 3.45Å; R633-D815 WeakPolarHBondContact CG-OD1 3.35Å; R633-D815 IonicContact CZ-OD1 3.5Å; R633-D815 IonicContact NE-OD1 3.95Å; R633-D815 IonicContact NH1-OD1 2.71Å; R633-D815 PolarHBondContact NH1-OD1 3.47Å
634	A	94.4	Very high	95.4	Very high	32 Å²	32	54 Å²	54	26%	0.264	27%	0.27	S	S	.	.	H	α-helix	trans	-53.2	-34.2	-165.6	0	0	0	0	0	114.7	N631 Y632 K636 V637 A638	N631-A634 HydrophobicContact CB-CB 3.93Å; N631-A634 WeakPolarHBondContact O-CB 3.46Å; N631-A634 PolarHBondContact O-N 2.87Å; N631-A634 VanDerWaalsContact O-N 3.09Å; Y632-A634 PolarHBondContact O-N 2.88Å; A634-K636 VanDerWaalsContact C-N 3.34Å; A634-K636 PolarHBondContact O-N 3.09Å; A634-V637 PolarHBondContact O-N 3.21Å; A634-A638 VanDerWaalsContact O-CB 3.29Å; A634-A638 WeakPolarHBondContact O-CB 3.46Å; A634-A638 PolarHBondContact O-N 3.03Å
635	N	94.8	Very high	95.2	Very high	111 Å²	111	54.7 Å²	54.7	59%	0.594	28%	0.277	S	S	*	.	H	α-helix	trans	-64.7	-33.9	175.9	-65.6	-22.4	0	0	0	113.4	R633 F639 L819	R633-N635 PolarHBondContact O-N 2.98Å; N635-F639 VanDerWaalsContact O-CB 3.27Å; N635-F639 WeakPolarHBondContact O-CB 3.27Å; N635-F639 PolarHBondContact O-N 2.81Å; N635-L819 HydrophobicContact CB-CD1 3.91Å
636	K	97.1	Very high	94.9	Very high	20 Å²	20	53.7 Å²	53.7	9%	0.087	27%	0.274	C	S	.	.	H	α-helix	trans	-81.8	-36.7	176.4	-53.4	-56	-172.9	-169.4	0	111.2	M473 Y474 D496 R633 A634 F639 W640	M473-K636 PolarHBondContact O-NZ 2.86Å; Y474-K636 HydrophobicContact CE1-CD 3.96Å; Y474-K636 HydrophobicContact CE1-CG 4.49Å; D496-K636 HydrophobicContact CB-CB 4.44Å; R633-K636 WeakPolarHBondContact O-CA 3.36Å; R633-K636 PolarHBondContact O-N 3.15Å; A634-K636 VanDerWaalsContact C-N 3.34Å; A634-K636 PolarHBondContact O-N 3.09Å; K636-F639 WeakPolarHBondContact O-CB 3.29Å; K636-F639 PolarHBondContact O-N 3.15Å; K636-W640 VanDerWaalsContact O-CD1 3.25Å; K636-W640 PolarHBondContact O-N 3.5Å; K636-W640 VanDerWaalsContact O-N 3.07Å
637	V	97	Very high	94.4	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-51.3	174.8	176	0	0	0	0	111.1	V500 V504 R633 A634 F639 W640 L641	V500-V637 HydrophobicContact CG1-CG2 3.91Å; V504-V637 HydrophobicContact CB-CG1 4.04Å; V504-V637 HydrophobicContact CG1-CG1 3.86Å; V504-V637 HydrophobicContact CG2-CG2 4.35Å; R633-V637 PolarHBondContact O-N 3.18Å; R633-V637 VanDerWaalsContact O-N 3.09Å; A634-V637 PolarHBondContact O-N 3.21Å; V637-F639 VanDerWaalsContact C-N 3.28Å; V637-F639 PolarHBondContact O-N 3.18Å; V637-W640 PolarHBondContact O-N 3.45Å; V637-L641 HydrophobicContact CG1-CD1 3.58Å; V637-L641 HydrophobicContact CG1-CG 4.19Å; V637-L641 WeakPolarHBondContact O-CB 3.42Å; V637-L641 WeakPolarHBondContact O-CG 3.44Å; V637-L641 PolarHBondContact O-N 3.28Å
638	A	96.1	Very high	93.6	Very high	34 Å²	34	53.6 Å²	53.6	28%	0.281	28%	0.276	S	S	.	.	H	α-helix	trans	-64.1	-33.4	176.5	0	0	0	0	0	112.2	A634 E642 L643	A634-A638 VanDerWaalsContact O-CB 3.29Å; A634-A638 WeakPolarHBondContact O-CB 3.46Å; A634-A638 PolarHBondContact O-N 3.03Å; A638-E642 WeakPolarHBondContact O-CA 3.26Å; A638-E642 VanDerWaalsContact O-CB 3.26Å; A638-E642 WeakPolarHBondContact O-CB 3.31Å; A638-E642 PolarHBondContact O-N 2.87Å; A638-L643 PolarHBondContact O-N 3.38Å
639	F	97.2	Very high	92.6	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.026	29%	0.288	C	S	.	.	I	π-helix	trans	-57.9	-49.6	171.6	171.4	-108.3	0	0	0	112.2	T469 I470 M473 Y474 N635 K636 V637 L643 V644	T469-F639 HydrophobicContact CG2-CE2 3.83Å; T469-F639 HydrophobicContact CG2-CZ 4.39Å; I470-F639 HydrophobicContact CB-CZ 4.41Å; I470-F639 HydrophobicContact CG1-CE1 3.94Å; I470-F639 HydrophobicContact CG1-CZ 3.63Å; M473-F639 HydrophobicContact CB-CE1 4.37Å; M473-F639 HydrophobicContact CB-CE2 4.4Å; M473-F639 HydrophobicContact CB-CZ 4.28Å; M473-F639 HydrophobicContact CE-CB 3.98Å; M473-F639 HydrophobicContact CE-CD2 3.98Å; M473-F639 HydrophobicContact CE-CG 4Å; M473-F639 HydrophobicContact CG-CD2 3.85Å; M473-F639 HydrophobicContact CG-CE2 3.74Å; M473-F639 HydrophobicContact CG-CG 4.32Å; M473-F639 HydrophobicContact CG-CZ 4.09Å; Y474-F639 HydrophobicContact CE2-CD1 4.26Å; Y474-F639 HydrophobicContact CE2-CE1 4.07Å; N635-F639 VanDerWaalsContact O-CB 3.27Å; N635-F639 WeakPolarHBondContact O-CB 3.27Å; N635-F639 PolarHBondContact O-N 2.81Å; K636-F639 WeakPolarHBondContact O-CB 3.29Å; K636-F639 PolarHBondContact O-N 3.15Å; V637-F639 VanDerWaalsContact C-N 3.28Å; V637-F639 PolarHBondContact O-N 3.18Å; F639-L643 HydrophobicContact CD2-CB 4.21Å; F639-L643 HydrophobicContact CD2-CD2 3.97Å; F639-L643 HydrophobicContact CD2-CG 4.44Å; F639-L643 HydrophobicContact CE2-CD2 4.13Å; F639-L643 PolarHBondContact O-N 3.2Å; F639-V644 HydrophobicContact CD1-CG2 4.27Å; F639-V644 HydrophobicContact CD2-CG2 4.25Å; F639-V644 HydrophobicContact CE1-CG2 3.73Å; F639-V644 HydrophobicContact CE2-CG2 3.69Å; F639-V644 HydrophobicContact CZ-CG2 3.42Å; F639-V644 VanDerWaalsContact CZ-CG2 3.42Å; F639-V644 WeakPolarHBondContact O-CG2 3.44Å; F639-V644 PolarHBondContact O-N 2.84Å
640	W	96.9	Very high	91.3	Very high	11 Å²	11	53.6 Å²	53.6	4%	0.042	29%	0.285	C	S	.	.	I	π-helix	trans	-73.2	-38	179.6	-70.1	132.3	0	0	0	114.1	F452 I470 Y474 L493 H497 A501 K636 V637 V644 P645	F452-W640 AromaticContact CE1-CH2 3.77Å; F452-W640 HydrophobicContact CE1-CH2 3.77Å; F452-W640 HydrophobicContact CE1-CZ2 4.41Å; F452-W640 HydrophobicContact CE1-CZ3 4.45Å; F452-W640 HydrophobicContact CZ-CH2 4.24Å; I470-W640 HydrophobicContact CD1-CH2 3.82Å; I470-W640 HydrophobicContact CD1-CZ3 3.78Å; I470-W640 HydrophobicContact CG1-CH2 3.85Å; I470-W640 HydrophobicContact CG1-CZ3 3.96Å; I470-W640 HydrophobicContact CG2-CH2 4.01Å; Y474-W640 HydrophobicContact CE2-CH2 4.4Å; Y474-W640 AromaticContact CE2-CZ2 3.63Å; Y474-W640 HydrophobicContact CE2-CZ2 3.63Å; Y474-W640 AromaticContact CZ-NE1 3.95Å; Y474-W640 PolarHBondContact OH-NE1 3.36Å; L493-W640 HydrophobicContact CG-CZ2 4.23Å; H497-W640 HydrophobicContact CB-CD2 4.28Å; H497-W640 HydrophobicContact CB-CZ2 3.98Å; H497-W640 AromaticContact CD2-CD2 3.76Å; H497-W640 AromaticContact CD2-CE3 3.6Å; H497-W640 AromaticContact CD2-CZ3 3.87Å; A501-W640 HydrophobicContact CB-CB 3.84Å; A501-W640 HydrophobicContact CB-CG 4.35Å; K636-W640 VanDerWaalsContact O-CD1 3.25Å; K636-W640 PolarHBondContact O-N 3.5Å; K636-W640 VanDerWaalsContact O-N 3.07Å; V637-W640 PolarHBondContact O-N 3.45Å; W640-V644 HydrophobicContact CE3-CB 4.16Å; W640-V644 HydrophobicContact CE3-CG1 4.21Å; W640-V644 HydrophobicContact CE3-CG2 3.7Å; W640-V644 HydrophobicContact CZ3-CG1 4.4Å; W640-V644 HydrophobicContact CZ3-CG2 3.93Å; W640-P645 VanDerWaalsContact O-CD 3.29Å; W640-P645 WeakPolarHBondContact O-CD 3.46Å
641	L	94.8	Very high	89.4	Confident	73 Å²	73	51.3 Å²	51.3	38%	0.382	27%	0.273	S	S	.	.	I	π-helix	trans	-87.6	-22	-174.7	-61.5	-177.5	0	0	0	114.2	A501 A505 V637	A501-L641 HydrophobicContact CB-CD2 4.11Å; A501-L641 HydrophobicContact CB-CG 4.21Å; A505-L641 HydrophobicContact CB-CD1 3.91Å; A505-L641 HydrophobicContact CB-CD2 4.05Å; V637-L641 HydrophobicContact CG1-CD1 3.58Å; V637-L641 HydrophobicContact CG1-CG 4.19Å; V637-L641 WeakPolarHBondContact O-CB 3.42Å; V637-L641 WeakPolarHBondContact O-CG 3.44Å; V637-L641 PolarHBondContact O-N 3.28Å
642	E	93.9	Very high	87.3	Confident	136 Å²	136	51.5 Å²	51.5	64%	0.636	29%	0.29	S	S	*	.	I	π-helix	trans	-120.6	-53.8	-173.8	-53.7	176	-172.7	0	0	112	A638	A638-E642 WeakPolarHBondContact O-CA 3.26Å; A638-E642 VanDerWaalsContact O-CB 3.26Å; A638-E642 WeakPolarHBondContact O-CB 3.31Å; A638-E642 PolarHBondContact O-N 2.87Å
643	L	93.9	Very high	84.9	Confident	72 Å²	72	56.7 Å²	56.7	38%	0.377	32%	0.317	S	S	.	.	I	π-helix	trans	-76.7	-43.7	-174.6	-176.8	57.9	0	0	0	113.1	T469 A638 F639 H646 L647	T469-L643 HydrophobicContact CG2-CD2 4.47Å; A638-L643 PolarHBondContact O-N 3.38Å; F639-L643 HydrophobicContact CD2-CB 4.21Å; F639-L643 HydrophobicContact CD2-CD2 3.97Å; F639-L643 HydrophobicContact CD2-CG 4.44Å; F639-L643 HydrophobicContact CE2-CD2 4.13Å; F639-L643 PolarHBondContact O-N 3.2Å; L643-H646 WeakPolarHBondContact O-CB 3.27Å; L643-H646 PolarHBondContact O-N 3.14Å; L643-L647 HydrophobicContact CD1-CD1 4.25Å; L643-L647 HydrophobicContact CD1-CD2 4.43Å; L643-L647 HydrophobicContact CD1-CG 4.03Å; L643-L647 HydrophobicContact CD2-CD1 4.41Å; L643-L647 HydrophobicContact CG-CD1 3.93Å; L643-L647 HydrophobicContact CG-CG 4.17Å; L643-L647 WeakPolarHBondContact O-CG 3.4Å; L643-L647 PolarHBondContact O-N 2.9Å
644	V	92.3	Very high	82.1	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.024	34%	0.343	C	S	.	.	H	α-helix	trans	-64.2	-43.1	-176.7	166	0	0	0	0	113.3	Y457 L466 F639 W640 H646 L647 H648	Y457-V644 HydrophobicContact CE1-CG1 4.24Å; L466-V644 HydrophobicContact CD1-CB 4.28Å; L466-V644 HydrophobicContact CD1-CG1 3.84Å; L466-V644 HydrophobicContact CD1-CG2 3.81Å; F639-V644 HydrophobicContact CD1-CG2 4.27Å; F639-V644 HydrophobicContact CD2-CG2 4.25Å; F639-V644 HydrophobicContact CE1-CG2 3.73Å; F639-V644 HydrophobicContact CE2-CG2 3.69Å; F639-V644 HydrophobicContact CZ-CG2 3.42Å; F639-V644 VanDerWaalsContact CZ-CG2 3.42Å; F639-V644 WeakPolarHBondContact O-CG2 3.44Å; F639-V644 PolarHBondContact O-N 2.84Å; W640-V644 HydrophobicContact CE3-CB 4.16Å; W640-V644 HydrophobicContact CE3-CG1 4.21Å; W640-V644 HydrophobicContact CE3-CG2 3.7Å; W640-V644 HydrophobicContact CZ3-CG1 4.4Å; W640-V644 HydrophobicContact CZ3-CG2 3.93Å; V644-H646 VanDerWaalsContact C-N 3.28Å; V644-H646 PolarHBondContact O-N 2.88Å; V644-L647 PolarHBondContact O-N 3.12Å; V644-H648 WeakPolarHBondContact O-CB 3.22Å; V644-H648 PolarHBondContact O-N 3.33Å
645	P	89.8	Confident	79.2	Confident	61 Å²	61	66 Å²	66	40%	0.396	36%	0.363	S	S	.	.	H	α-helix	trans	-59.1	-36.6	171.8	-27.1	36.6	0	0	0	113	W640 H648 T649	W640-P645 VanDerWaalsContact O-CD 3.29Å; W640-P645 WeakPolarHBondContact O-CD 3.46Å; P645-H648 PolarHBondContact O-N 3.36Å; P645-T649 WeakPolarHBondContact O-CB 3.42Å; P645-T649 WeakPolarHBondContact O-CG2 3.39Å; P645-T649 PolarHBondContact O-N 2.91Å; P645-T649 PolarHBondContact O-OG1 2.97Å
646	H	87.9	Confident	76.2	Confident	110 Å²	110	65.8 Å²	65.8	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-67.2	-45.5	175.7	-171.5	53.2	0	0	0	112.3	L643 V644 H648 T649 I650	L643-H646 WeakPolarHBondContact O-CB 3.27Å; L643-H646 PolarHBondContact O-N 3.14Å; V644-H646 VanDerWaalsContact C-N 3.28Å; V644-H646 PolarHBondContact O-N 2.88Å; H646-H648 VanDerWaalsContact C-N 3.29Å; H646-H648 PolarHBondContact O-N 3.27Å; H646-T649 WeakPolarHBondContact CA-OG1 3.44Å; H646-T649 PolarHBondContact O-N 2.93Å; H646-T649 PolarHBondContact O-OG1 3.2Å; H646-T649 VanDerWaalsContact O-OG1 3.09Å; H646-I650 WeakPolarHBondContact O-CG1 3.5Å; H646-I650 PolarHBondContact O-N 2.82Å; H646-I650 VanDerWaalsContact O-N 3.12Å
647	L	84.8	Confident	73.2	Confident	25 Å²	25	70.8 Å²	70.8	13%	0.131	40%	0.398	C	S	.	.	H	α-helix	trans	-65.1	-31.1	174.7	-66.8	177.5	0	0	0	112.8	I465 L466 T469 L643 V644 N651	I465-L647 HydrophobicContact CG2-CD2 4.11Å; L466-L647 HydrophobicContact CD1-CB 4.41Å; L466-L647 HydrophobicContact CD1-CD1 4.41Å; T469-L647 HydrophobicContact CG2-CD1 3.97Å; L643-L647 HydrophobicContact CD1-CD1 4.25Å; L643-L647 HydrophobicContact CD1-CD2 4.43Å; L643-L647 HydrophobicContact CD1-CG 4.03Å; L643-L647 HydrophobicContact CD2-CD1 4.41Å; L643-L647 HydrophobicContact CG-CD1 3.93Å; L643-L647 HydrophobicContact CG-CG 4.17Å; L643-L647 WeakPolarHBondContact O-CG 3.4Å; L643-L647 PolarHBondContact O-N 2.9Å; V644-L647 PolarHBondContact O-N 3.12Å; L647-N651 PolarHBondContact O-ND2 2.87Å
648	H	78	Confident	70	Confident	80 Å²	80	76.2 Å²	76.2	37%	0.37	43%	0.432	S	S	.	.	H	α-helix	trans	-71	-46.3	175.6	-166.6	91.3	0	0	0	111.5	Y457 V644 P645 H646 N651	Y457-H648 AromaticContact CD1-ND1 3.99Å; V644-H648 WeakPolarHBondContact O-CB 3.22Å; V644-H648 PolarHBondContact O-N 3.33Å; P645-H648 PolarHBondContact O-N 3.36Å; H646-H648 VanDerWaalsContact C-N 3.29Å; H646-H648 PolarHBondContact O-N 3.27Å; H648-N651 PolarHBondContact O-N 3.35Å
649	T	76.3	Confident	66.9	Low	82 Å²	82	85.5 Å²	85.5	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-70	-37	-176.7	46	0	0	0	0	114	P645 H646 N651 G652	P645-T649 WeakPolarHBondContact O-CB 3.42Å; P645-T649 WeakPolarHBondContact O-CG2 3.39Å; P645-T649 PolarHBondContact O-N 2.91Å; P645-T649 PolarHBondContact O-OG1 2.97Å; H646-T649 WeakPolarHBondContact CA-OG1 3.44Å; H646-T649 PolarHBondContact O-N 2.93Å; H646-T649 PolarHBondContact O-OG1 3.2Å; H646-T649 VanDerWaalsContact O-OG1 3.09Å; T649-N651 VanDerWaalsContact C-N 3.26Å; T649-N651 PolarHBondContact O-N 2.98Å; T649-G652 PolarHBondContact O-N 3.42Å; T649-G652 VanDerWaalsContact O-N 3.08Å
650	I	69.4	Low	63.6	Low	71 Å²	71	90.2 Å²	90.2	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-54.7	-43	175.9	-73.4	166.3	0	0	0	111.6	H646 G652 I653	H646-I650 WeakPolarHBondContact O-CG1 3.5Å; H646-I650 PolarHBondContact O-N 2.82Å; H646-I650 VanDerWaalsContact O-N 3.12Å; I650-G652 PolarHBondContact O-N 2.98Å; I650-I653 PolarHBondContact O-N 2.62Å
651	N	56.5	Low	60.5	Low	39 Å²	39	95.6 Å²	95.6	21%	0.209	53%	0.53	C	S	.	.	H	α-helix	trans	-71.3	-16	-177.4	-71.4	-56	0	0	0	113.5	L647 H648 T649 I653	L647-N651 PolarHBondContact O-ND2 2.87Å; H648-N651 PolarHBondContact O-N 3.35Å; T649-N651 VanDerWaalsContact C-N 3.26Å; T649-N651 PolarHBondContact O-N 2.98Å; N651-I653 VanDerWaalsContact C-N 3.34Å
652	G	50.4	Low	57.5	Low	66 Å²	66	97.7 Å²	97.7	68%	0.68	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-15	174.6	0	0	0	0	0	114.7	T649 I650	T649-G652 PolarHBondContact O-N 3.42Å; T649-G652 VanDerWaalsContact O-N 3.08Å; I650-G652 PolarHBondContact O-N 2.98Å
653	I	46.1	Very low	54.4	Low	120 Å²	120	94.3 Å²	94.3	62%	0.615	55%	0.552	S	S	*	*	S	Bend	trans	-97.9	-17.1	-168.2	-64.1	173.9	0	0	0	112.9	I650 N651 P655	I650-I653 PolarHBondContact O-N 2.62Å; N651-I653 VanDerWaalsContact C-N 3.34Å; I653-P655 VanDerWaalsContact C-CD 3.45Å; I653-P655 VanDerWaalsContact O-CD 3.26Å; I653-P655 WeakPolarHBondContact O-CD 3.49Å
654	F	35.7	Very low	51.6	Low	149 Å²	149	97.7 Å²	97.7	65%	0.654	58%	0.578	S	S	*	*			trans	-121	69	-172.4	-68.9	-79.7	0	0	0	114.8	T656	F654-T656 VanDerWaalsContact C-N 3.28Å; F654-T656 PolarHBondContact O-N 3.4Å; F654-T656 PolarHBondContact O-OG1 2.83Å
655	P	34.4	Very low	48.6	Very low	105 Å²	105	100.7 Å²	100.7	68%	0.682	61%	0.61	S	S	*	*			trans	-66.3	89.2	166.1	29.9	-33.7	0	0	0	109.6	I653 T657	I653-P655 VanDerWaalsContact C-CD 3.45Å; I653-P655 VanDerWaalsContact O-CD 3.26Å; I653-P655 WeakPolarHBondContact O-CD 3.49Å; P655-T657 VanDerWaalsContact C-N 3.34Å; P655-T657 PolarHBondContact O-N 3.39Å; P655-T657 PolarHBondContact O-OG1 3.12Å
656	T	32.6	Very low	46.1	Very low	106 Å²	106	104.2 Å²	104.2	65%	0.65	63%	0.632	S	S	*	*			trans	-72.9	86.1	-168.2	-65.7	0	0	0	0	110.8	F654 T658	F654-T656 VanDerWaalsContact C-N 3.28Å; F654-T656 PolarHBondContact O-N 3.4Å; F654-T656 PolarHBondContact O-OG1 2.83Å; T656-T658 VanDerWaalsContact C-N 3.28Å; T656-T658 HydrophobicContact CG2-CG2 4.05Å; T656-T658 PolarHBondContact O-N 3.09Å
657	T	32.5	Very low	43.4	Very low	125 Å²	125	102.3 Å²	102.3	77%	0.767	64%	0.643	S	S	*	*			trans	-75.8	77.8	178.9	-54.5	0	0	0	0	110	P655 R659	P655-T657 VanDerWaalsContact C-N 3.34Å; P655-T657 PolarHBondContact O-N 3.39Å; P655-T657 PolarHBondContact O-OG1 3.12Å; T657-R659 PolarHBondContact O-N 3.28Å
658	T	30.8	Very low	41.4	Very low	125 Å²	125	106.4 Å²	106.4	77%	0.767	67%	0.671	S	S	*	*			trans	-69.2	73.7	172.4	32.9	0	0	0	0	111.2	T656 S660	T656-T658 VanDerWaalsContact C-N 3.28Å; T656-T658 HydrophobicContact CG2-CG2 4.05Å; T656-T658 PolarHBondContact O-N 3.09Å; T658-S660 PolarHBondContact O-N 3.48Å
659	R	30.4	Very low	39.2	Very low	230 Å²	230	109.6 Å²	109.6	87%	0.868	69%	0.691	S	S	*	*			trans	-70.6	93.2	173.4	-166.9	178.8	-169.2	-178.8	4.1	109.7	T657	T657-R659 PolarHBondContact O-N 3.28Å
660	S	28.8	Very low	37	Very low	104 Å²	104	111.2 Å²	111.2	73%	0.727	70%	0.701	S	S	*	*			trans	-55.6	136.8	-178.1	-168.2	0	0	0	0	112.4	T658 S662	T658-S660 PolarHBondContact O-N 3.48Å; S660-S662 PolarHBondContact O-N 3.3Å
661	P	31.6	Very low	35	Very low	125 Å²	125	118.5 Å²	118.5	81%	0.812	73%	0.725	S	S	*	*			trans	-71.7	113.3	179.3	-15.4	30.2	0	0	0	111.8	G663	P661-G663 PolarHBondContact O-N 3.08Å
662	S	31	Very low	33.6	Very low	117 Å²	117	127 Å²	127	82%	0.818	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-71.8	120.1	170.1	55	0	0	0	0	110.7	S660	S660-S662 PolarHBondContact O-N 3.3Å
663	G	29.9	Very low	33.1	Very low	65 Å²	65	129.9 Å²	129.9	67%	0.67	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-66.2	163.4	177.3	0	0	0	0	0	114.1	P661	P661-G663 PolarHBondContact O-N 3.08Å
664	P	35.4	Very low	32.4	Very low	143 Å²	143	133.5 Å²	133.5	93%	0.929	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-77	126.6	-173.7	30.4	-34.4	0	0	0	112.8
665	G	29.1	Very low	32.6	Very low	66 Å²	66	132.3 Å²	132.3	68%	0.68	77%	0.774	S	S	*	*			trans	-124.4	147.3	165	0	0	0	0	0	110.7
666	P	37.7	Very low	32.3	Very low	135 Å²	135	137 Å²	137	88%	0.877	78%	0.778	S	S	*	*			trans	-74.6	159.9	-179.9	31.6	-35.3	0	0	0	112.8
667	G	29.4	Very low	32.3	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	78%	0.783	S	S	*	*			trans	-80.7	-152.1	174.5	0	0	0	0	0	113.7
668	P	43.8	Very low	32.8	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	78%	0.782	S	S	*	*			cis	-135.2	-175.5	21.5	44.2	-28	0	0	0	115.9
669	D	30.6	Very low	32.6	Very low	146 Å²	146	135 Å²	135	78%	0.781	78%	0.783	S	S	*	*			trans	63.8	150	153.6	-61.3	-35.9	0	0	0	119.4
670	T	31.1	Very low	33.4	Very low	117 Å²	117	129.5 Å²	129.5	72%	0.718	78%	0.777	S	S	*	*			cis	-149.5	154.4	20.9	20.2	0	0	0	0	113.1
671	Y	27.1	Very low	33.7	Very low	224 Å²	224	136 Å²	136	88%	0.878	79%	0.786	S	S	*	*			trans	69.9	149.7	145.8	-88.2	-111.5	0	0	0	124.7
672	R	28	Very low	33.7	Very low	218 Å²	218	136.5 Å²	136.5	82%	0.823	79%	0.787	S	S	*	*			trans	-114	171.2	-178	-98.9	-179.2	-176.5	176.8	4.6	108.3
673	P	38.3	Very low	33.8	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	79%	0.787	S	S	*	*			cis	-154.3	175	46.4	41.7	-18.7	0	0	0	121.3
674	R	32.9	Very low	34.5	Very low	195 Å²	195	139.8 Å²	139.8	74%	0.736	79%	0.792	S	S	*	*			trans	-68.3	165.6	170.1	-69.4	171.7	159.9	177.7	-7.3	114.1
675	P	39	Very low	34.5	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	79%	0.787	S	S	*	*				-120.5	148.8	92.7	-2	23.2	0	0	0	112.7
676	R	29.4	Very low	35.4	Very low	203 Å²	203	144.6 Å²	144.6	77%	0.766	80%	0.795	S	S	*	*			cis	90.6	96.8	42.4	-91.9	-175.7	166.1	168.8	-4.4	113.9
677	T	31.4	Very low	35	Very low	121 Å²	121	148.7 Å²	148.7	74%	0.742	79%	0.794	S	S	*	*				96.1	165.1	85.6	42.5	0	0	0	0	114.7
678	P	43.2	Very low	34.9	Very low	116 Å²	116	150.3 Å²	150.3	75%	0.753	79%	0.794	S	S	*	*			cis	-147.7	148	-29	36.1	-15.2	0	0	0	119.5
679	G	27	Very low	34.4	Very low	77 Å²	77	149.9 Å²	149.9	79%	0.794	79%	0.79	S	S	*	*			trans	61.3	-167.8	144.7	0	0	0	0	0	121.4
680	P	47.7	Very low	34.3	Very low	115 Å²	115	151.4 Å²	151.4	75%	0.747	79%	0.79	S	S	*	*			cis	-146.3	156.5	-15.2	40.8	-21.9	0	0	0	119.4
681	R	33.5	Very low	34.2	Very low	241 Å²	241	151.5 Å²	151.5	91%	0.909	79%	0.79	S	S	*	*			trans	66.9	165.1	152.1	-68.1	173.6	172.2	173.9	-4.1	118.6
682	T	32	Very low	34.3	Very low	136 Å²	136	145.2 Å²	145.2	83%	0.834	78%	0.779	S	S	*	*			cis	-138.5	-164.4	27	47.1	0	0	0	0	116.1
683	T	34.3	Very low	34.4	Very low	131 Å²	131	142.4 Å²	142.4	80%	0.804	78%	0.781	S	S	*	*			trans	-132	-165.3	-162	55.7	0	0	0	0	112.4
684	P	43.7	Very low	34.9	Very low	120 Å²	120	142.5 Å²	142.5	78%	0.779	78%	0.781	S	S	*	*			cis	-134.2	-168.7	-25.6	31.6	-8.2	0	0	0	115.6
685	H	34.7	Very low	34.9	Very low	179 Å²	179	141.5 Å²	141.5	83%	0.829	79%	0.785	S	S	*	*			trans	-93.2	177	168.6	-56.7	-97.7	0	0	0	114.7
686	P	48.8	Very low	34.5	Very low	130 Å²	130	140.8 Å²	140.8	84%	0.844	78%	0.779	S	S	*	*			trans	-123.1	175.3	147.2	38.2	-27.1	0	0	0	115.5
687	Y	28.9	Very low	34.6	Very low	221 Å²	221	140.4 Å²	140.4	87%	0.867	79%	0.785	S	S	*	*			trans	-139.5	167.1	-166.1	-107.7	-93.8	0	0	0	113.6
688	S	27.5	Very low	34.5	Very low	105 Å²	105	137.7 Å²	137.7	73%	0.734	78%	0.781	S	S	*	*			trans	-170.3	116.2	151.6	-81.7	0	0	0	0	109.6
689	T	32.8	Very low	33.9	Very low	102 Å²	102	138.2 Å²	138.2	63%	0.626	79%	0.788	S	S	*	*				82.6	146.8	65.1	61.5	0	0	0	0	114.5
690	F	30.1	Very low	34	Very low	178 Å²	178	141.6 Å²	141.6	78%	0.781	79%	0.788	S	S	*	*			cis	-159.2	145	22.5	-111.3	-57.1	0	0	0	113.9
691	T	27.8	Very low	33.2	Very low	119 Å²	119	147.2 Å²	147.2	73%	0.73	79%	0.794	S	S	*	*			trans	29.1	166.4	141.5	48.6	0	0	0	0	125.6
692	S	29.5	Very low	33.4	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	78%	0.782	S	S	*	*			cis	167.7	127.2	-42	57.5	0	0	0	0	113.8
693	D	30.8	Very low	33.2	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	78%	0.78	S	S	*	*			trans	50.2	171.3	152.3	-54.6	-16.2	0	0	0	121.5
694	P	49	Very low	33	Very low	127 Å²	127	144 Å²	144	83%	0.825	78%	0.783	S	S	*	*			cis	-137.7	-144.5	9.9	45.9	-23.8	0	0	0	116.7
695	E	31.2	Very low	32.4	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	78%	0.781	S	S	*	*			trans	-99.8	-163.9	-166.8	-54.8	179.5	84.2	0	0	115.5
696	T	31.4	Very low	32	Very low	110 Å²	110	144.6 Å²	144.6	68%	0.675	79%	0.785	S	S	*	*			cis	-163.8	167.4	14.7	-19.4	0	0	0	0	113.8
697	E	30.9	Very low	31.5	Very low	194 Å²	194	147.4 Å²	147.4	91%	0.907	78%	0.784	S	S	*	*			trans	60.3	154.2	161.8	-62.5	-174.5	157.5	0	0	120.7
698	G	29	Very low	32.1	Very low	64 Å²	64	142.8 Å²	142.8	66%	0.66	78%	0.781	S	S	*	*			cis	167.1	142.9	-12.2	0	0	0	0	0	116.2
699	S	30.9	Very low	32.8	Very low	127 Å²	127	140.9 Å²	140.9	89%	0.888	78%	0.778	S	S	*	*			trans	66.2	159.2	161.8	82	0	0	0	0	119.7
700	D	30.7	Very low	33	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	78%	0.782	S	S	*	*			cis	-162.5	168.5	-0.8	-154.4	-6.9	0	0	0	112.7
701	R	29.2	Very low	33.6	Very low	233 Å²	233	140.2 Å²	140.2	88%	0.879	78%	0.784	S	S	*	*			trans	134.4	150.4	154.2	-74.7	-166.5	174.1	-148.1	-4.3	118.9
702	P	38.1	Very low	34.4	Very low	100 Å²	100	144.5 Å²	144.5	65%	0.649	79%	0.787	S	S	*	*			trans	-140.5	173.1	-131.1	46.5	-30.3	0	0	0	120.1
703	I	28.7	Very low	35.3	Very low	154 Å²	154	145.7 Å²	145.7	79%	0.79	79%	0.786	S	S	*	*			trans	59.5	117.5	150.5	-65.1	154.4	0	0	0	120.1
704	Q	28.7	Very low	36.3	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	78%	0.783	S	S	*	*				-163.3	154.8	110.8	-161.1	148.6	13.1	0	0	111.7
705	D	32.3	Very low	36.9	Very low	140 Å²	140	144.8 Å²	144.8	75%	0.749	77%	0.765	S	S	*	*			trans	-78.4	153.2	-168.8	-54.5	-87	0	0	0	116.8
706	L	26.3	Very low	38.4	Very low	172 Å²	172	140.3 Å²	140.3	90%	0.901	75%	0.75	S	S	*	*			trans	-168.9	125.6	133.4	-106.7	157	0	0	0	113.4
707	F	38.5	Very low	39.9	Very low	189 Å²	189	142.1 Å²	142.1	83%	0.829	75%	0.751	S	S	*	*			trans	-77.2	159.4	158.8	-89.2	-78.4	0	0	0	109.5
708	P	40	Very low	41.7	Very low	124 Å²	124	138.5 Å²	138.5	81%	0.805	74%	0.737	S	S	*	*			cis	-134.5	174.5	41.1	39.8	-21.9	0	0	0	116.5
709	G	44	Very low	43.4	Very low	65 Å²	65	138.7 Å²	138.7	67%	0.67	73%	0.728	S	S	*	*			trans	-85.2	150.4	168.9	0	0	0	0	0	112.3
710	D	36.3	Very low	45.7	Very low	133 Å²	133	137 Å²	137	71%	0.711	71%	0.712	S	S	*	*			trans	-112.7	86.5	-173.8	-160.7	24.2	0	0	0	110.7	R712	D710-R712 PolarHBondContact O-N 3.28Å; D710-R712 VanDerWaalsContact O-N 3.11Å
711	T	43.2	Very low	48.1	Very low	134 Å²	134	134.6 Å²	134.6	82%	0.822	70%	0.703	S	S	*	*			trans	-74.9	92.9	172.9	47.8	0	0	0	0	109.7
712	R	43.7	Very low	50.8	Low	209 Å²	209	128 Å²	128	79%	0.789	69%	0.688	S	S	*	*			trans	-74.4	130.7	175.4	-85.6	-178.5	147.9	156.7	-5	112.4	D710 Y714	D710-R712 PolarHBondContact O-N 3.28Å; D710-R712 VanDerWaalsContact O-N 3.11Å; R712-Y714 PolarHBondContact O-N 3.17Å
713	D	48.4	Very low	53	Low	116 Å²	116	125.9 Å²	125.9	62%	0.62	68%	0.679	S	S	*	*			trans	-67.3	113.6	-171.8	-84.6	-77.1	0	0	0	114.9	S715	D713-S715 WeakPolarHBondContact CB-OG 3.34Å; D713-S715 PolarHBondContact O-N 2.82Å; D713-S715 PolarHBondContact OD1-OG 2.89Å
714	Y	52.7	Low	55.9	Low	205 Å²	205	122.5 Å²	122.5	80%	0.804	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-2.6	160.5	-84.6	-94	0	0	0	113.2	R712 L718	R712-Y714 PolarHBondContact O-N 3.17Å; Y714-L718 WeakPolarHBondContact O-CB 3.26Å
715	S	60.8	Low	58.8	Low	64 Å²	64	115.7 Å²	115.7	45%	0.448	65%	0.645	S	S	.	*	H	α-helix	trans	-75.4	-30.1	-171.3	63.5	0	0	0	0	113.7	D713 S719	D713-S715 WeakPolarHBondContact CB-OG 3.34Å; D713-S715 PolarHBondContact O-N 2.82Å; D713-S715 PolarHBondContact OD1-OG 2.89Å; S715-S719 VanDerWaalsContact O-CB 3.23Å; S715-S719 WeakPolarHBondContact O-CB 3.46Å; S715-S719 PolarHBondContact O-N 2.95Å; S715-S719 VanDerWaalsContact O-N 3.14Å; S715-S719 PolarHBondContact O-OG 3.14Å
716	T	61.8	Low	61.4	Low	80 Å²	80	111.6 Å²	111.6	49%	0.491	63%	0.631	S	S	.	*	H	α-helix	trans	-77.2	-50	-175.6	50	0	0	0	0	112.6	L718 S719 V720	T716-L718 PolarHBondContact O-N 2.82Å; T716-S719 PolarHBondContact O-N 3.29Å; T716-S719 PolarHBondContact O-OG 2.8Å; T716-S719 VanDerWaalsContact O-OG 3.05Å; T716-V720 WeakPolarHBondContact O-CG2 3.4Å; T716-V720 PolarHBondContact O-N 3.13Å
717	E	64.1	Low	64.4	Low	148 Å²	148	106.9 Å²	106.9	69%	0.692	61%	0.612	S	S	*	*	H	α-helix	trans	-65.6	-38.8	-179.5	-61.2	-174.6	167.6	0	0	112	T721	E717-T721 WeakPolarHBondContact O-CB 3.41Å; E717-T721 PolarHBondContact O-N 3.19Å; E717-T721 PolarHBondContact O-OG1 2.87Å
718	L	68.6	Low	66.8	Low	117 Å²	117	102.6 Å²	102.6	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-66.7	-44	175.2	-172.6	64.5	0	0	0	111.8	Y714 T716 T721 V722	Y714-L718 WeakPolarHBondContact O-CB 3.26Å; T716-L718 PolarHBondContact O-N 2.82Å; L718-T721 PolarHBondContact O-N 3.42Å; L718-V722 WeakPolarHBondContact O-CG2 3.4Å; L718-V722 PolarHBondContact O-N 2.89Å
719	S	64.8	Low	69.2	Low	69 Å²	69	102.1 Å²	102.1	48%	0.483	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-35.2	179.3	56.9	0	0	0	0	113.1	S715 T716 V722 A723	S715-S719 VanDerWaalsContact O-CB 3.23Å; S715-S719 WeakPolarHBondContact O-CB 3.46Å; S715-S719 PolarHBondContact O-N 2.95Å; S715-S719 VanDerWaalsContact O-N 3.14Å; S715-S719 PolarHBondContact O-OG 3.14Å; T716-S719 PolarHBondContact O-N 3.29Å; T716-S719 PolarHBondContact O-OG 2.8Å; T716-S719 VanDerWaalsContact O-OG 3.05Å; S719-V722 PolarHBondContact O-N 3.25Å; S719-A723 VanDerWaalsContact O-CB 3.25Å; S719-A723 WeakPolarHBondContact O-CB 3.48Å; S719-A723 PolarHBondContact O-N 3.34Å
720	V	78.3	Confident	71.4	Confident	91 Å²	91	105.2 Å²	105.2	55%	0.552	58%	0.583	S	S	*	*	H	α-helix	trans	-61.7	-45.8	170.3	169.1	0	0	0	0	110.9	T716 V722 A723 V724	T716-V720 WeakPolarHBondContact O-CG2 3.4Å; T716-V720 PolarHBondContact O-N 3.13Å; V720-V722 PolarHBondContact O-N 2.98Å; V720-A723 PolarHBondContact O-N 3.41Å; V720-V724 WeakPolarHBondContact O-CG2 3Å; V720-V724 PolarHBondContact O-N 3.08Å
721	T	82.4	Confident	73.9	Confident	98 Å²	98	104 Å²	104	60%	0.601	58%	0.576	S	S	*	*	H	α-helix	trans	-61.1	-45.2	178.7	-56.7	0	0	0	0	111.6	E717 L718 G725	E717-T721 WeakPolarHBondContact O-CB 3.41Å; E717-T721 PolarHBondContact O-N 3.19Å; E717-T721 PolarHBondContact O-OG1 2.87Å; L718-T721 PolarHBondContact O-N 3.42Å; T721-G725 PolarHBondContact O-N 3.17Å
722	V	85.8	Confident	75.8	Confident	94 Å²	94	102 Å²	102	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-64.8	-40.5	175.8	171.1	0	0	0	0	111.7	L718 S719 V720 G725 A726	L718-V722 WeakPolarHBondContact O-CG2 3.4Å; L718-V722 PolarHBondContact O-N 2.89Å; S719-V722 PolarHBondContact O-N 3.25Å; V720-V722 PolarHBondContact O-N 2.98Å; V722-G725 PolarHBondContact O-N 3.03Å; V722-A726 WeakPolarHBondContact O-CB 3.38Å; V722-A726 PolarHBondContact O-N 2.91Å
723	A	82.9	Confident	78.1	Confident	56 Å²	56	96.6 Å²	96.6	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-64.2	-42.6	178.5	0	0	0	0	0	112.6	S719 V720 A726 S727	S719-A723 VanDerWaalsContact O-CB 3.25Å; S719-A723 WeakPolarHBondContact O-CB 3.48Å; S719-A723 PolarHBondContact O-N 3.34Å; V720-A723 PolarHBondContact O-N 3.41Å; A723-A726 PolarHBondContact O-N 3.13Å; A723-S727 WeakPolarHBondContact O-CB 3.38Å; A723-S727 PolarHBondContact O-N 3.3Å; A723-S727 PolarHBondContact O-OG 2.83Å; A723-S727 VanDerWaalsContact O-OG 3.06Å
724	V	91.2	Very high	80.1	Confident	84 Å²	84	95.3 Å²	95.3	51%	0.509	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-46.3	174.6	172.7	0	0	0	0	110.7	V720 A726 S727 L728	V720-V724 WeakPolarHBondContact O-CG2 3Å; V720-V724 PolarHBondContact O-N 3.08Å; V724-A726 PolarHBondContact O-N 3.43Å; V724-S727 PolarHBondContact O-N 2.84Å; V724-L728 HydrophobicContact CG1-CD1 4.14Å; V724-L728 WeakPolarHBondContact O-CG 3.41Å; V724-L728 PolarHBondContact O-N 3.04Å
725	G	89.4	Confident	81.7	Confident	41 Å²	41	87.9 Å²	87.9	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-58.8	-45.3	176.1	0	0	0	0	0	112.9	T721 V722 L728 L729	T721-G725 PolarHBondContact O-N 3.17Å; V722-G725 PolarHBondContact O-N 3.03Å; G725-L728 PolarHBondContact O-N 3.02Å; G725-L729 PolarHBondContact O-N 3.39Å
726	A	86.9	Confident	83.1	Confident	55 Å²	55	91.8 Å²	91.8	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-38.5	177	0	0	0	0	0	112.7	V722 A723 V724 L729 F730	V722-A726 WeakPolarHBondContact O-CB 3.38Å; V722-A726 PolarHBondContact O-N 2.91Å; A723-A726 PolarHBondContact O-N 3.13Å; V724-A726 PolarHBondContact O-N 3.43Å; A726-L729 PolarHBondContact O-N 2.92Å; A726-F730 WeakPolarHBondContact O-CB 3.31Å; A726-F730 PolarHBondContact O-N 3.43Å
727	S	88	Confident	84.3	Confident	73 Å²	73	90.5 Å²	90.5	51%	0.51	53%	0.526	S	S	.	.	H	α-helix	trans	-65.4	-41.3	175.6	-70.1	0	0	0	0	112.6	A723 V724 F730 L731	A723-S727 WeakPolarHBondContact O-CB 3.38Å; A723-S727 PolarHBondContact O-N 3.3Å; A723-S727 PolarHBondContact O-OG 2.83Å; A723-S727 VanDerWaalsContact O-OG 3.06Å; V724-S727 PolarHBondContact O-N 2.84Å; S727-F730 PolarHBondContact O-N 2.72Å; S727-L731 WeakPolarHBondContact O-CB 3.47Å; S727-L731 PolarHBondContact O-N 3.45Å
728	L	89.2	Confident	85.4	Confident	99 Å²	99	86.3 Å²	86.3	52%	0.518	52%	0.517	S	S	.	.	H	α-helix	trans	-66.6	-38.2	174.7	-70	172.6	0	0	0	112	V724 G725 N732	V724-L728 HydrophobicContact CG1-CD1 4.14Å; V724-L728 WeakPolarHBondContact O-CG 3.41Å; V724-L728 PolarHBondContact O-N 3.04Å; G725-L728 PolarHBondContact O-N 3.02Å; L728-N732 PolarHBondContact O-N 2.94Å; L728-N732 VanDerWaalsContact O-N 3.09Å; L728-N732 PolarHBondContact O-ND2 2.83Å
729	L	90.4	Very high	86.1	Confident	113 Å²	113	86 Å²	86	59%	0.592	52%	0.515	S	S	*	.	H	α-helix	trans	-62	-46.2	173.3	-172.6	71.3	0	0	0	111.2	G725 A726 N732 I733	G725-L729 PolarHBondContact O-N 3.39Å; A726-L729 PolarHBondContact O-N 2.92Å; L729-N732 PolarHBondContact O-N 3.07Å; L729-I733 HydrophobicContact CG-CD1 4.11Å; L729-I733 WeakPolarHBondContact O-CG1 3.39Å; L729-I733 PolarHBondContact O-N 2.96Å
730	F	89.8	Confident	87.1	Confident	130 Å²	130	90 Å²	90	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-65.5	-40.6	179.9	-166.6	-108.2	0	0	0	112.6	A726 S727 N732 I733 L734	A726-F730 WeakPolarHBondContact O-CB 3.31Å; A726-F730 PolarHBondContact O-N 3.43Å; S727-F730 PolarHBondContact O-N 2.72Å; F730-N732 PolarHBondContact O-N 2.97Å; F730-I733 PolarHBondContact O-N 3.09Å; F730-L734 HydrophobicContact CD1-CD1 3.85Å; F730-L734 HydrophobicContact CD1-CG 4.3Å; F730-L734 HydrophobicContact CE1-CD1 3.62Å; F730-L734 HydrophobicContact CE1-CG 4.11Å; F730-L734 HydrophobicContact CZ-CD1 4.38Å; F730-L734 HydrophobicContact CZ-CD2 4.5Å; F730-L734 HydrophobicContact CZ-CG 4.46Å; F730-L734 WeakPolarHBondContact O-CG 3.33Å; F730-L734 PolarHBondContact O-N 3.07Å
731	L	89.7	Confident	87.3	Confident	109 Å²	109	92.9 Å²	92.9	57%	0.571	52%	0.523	S	S	*	.	H	α-helix	trans	-60.6	-42	173	-82.5	168	0	0	0	112.3	S727 L734 A735	S727-L731 WeakPolarHBondContact O-CB 3.47Å; S727-L731 PolarHBondContact O-N 3.45Å; L731-L734 PolarHBondContact O-N 3.37Å; L731-A735 WeakPolarHBondContact O-CB 3.43Å; L731-A735 PolarHBondContact O-N 2.82Å
732	N	83.9	Confident	87.2	Confident	91 Å²	91	94.7 Å²	94.7	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-64.4	-43.6	174.8	-80.2	-65	0	0	0	111.9	L728 L729 F730 L734 A735 F736	L728-N732 PolarHBondContact O-N 2.94Å; L728-N732 VanDerWaalsContact O-N 3.09Å; L728-N732 PolarHBondContact O-ND2 2.83Å; L729-N732 PolarHBondContact O-N 3.07Å; F730-N732 PolarHBondContact O-N 2.97Å; N732-L734 VanDerWaalsContact C-N 3.34Å; N732-L734 PolarHBondContact O-N 3.28Å; N732-A735 PolarHBondContact O-N 2.97Å; N732-F736 VanDerWaalsContact O-CD2 3.24Å; N732-F736 WeakPolarHBondContact O-CD2 3.18Å; N732-F736 PolarHBondContact O-N 2.91Å
733	I	90.9	Very high	86.9	Confident	95 Å²	95	97.6 Å²	97.6	49%	0.487	52%	0.523	S	S	.	.	H	α-helix	trans	-59.4	-44.4	175.6	-69.2	165.5	0	0	0	110.9	L729 F730 F736 A737	L729-I733 HydrophobicContact CG-CD1 4.11Å; L729-I733 WeakPolarHBondContact O-CG1 3.39Å; L729-I733 PolarHBondContact O-N 2.96Å; F730-I733 PolarHBondContact O-N 3.09Å; I733-F736 PolarHBondContact O-N 3.39Å; I733-A737 VanDerWaalsContact O-CB 3.31Å; I733-A737 WeakPolarHBondContact O-CB 3.41Å; I733-A737 PolarHBondContact O-N 2.92Å
734	L	90	Very high	86.7	Confident	89 Å²	89	98.8 Å²	98.8	47%	0.466	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-40	175.4	-72.2	177.8	0	0	0	112.5	F730 L731 N732 A737 A738	F730-L734 HydrophobicContact CD1-CD1 3.85Å; F730-L734 HydrophobicContact CD1-CG 4.3Å; F730-L734 HydrophobicContact CE1-CD1 3.62Å; F730-L734 HydrophobicContact CE1-CG 4.11Å; F730-L734 HydrophobicContact CZ-CD1 4.38Å; F730-L734 HydrophobicContact CZ-CD2 4.5Å; F730-L734 HydrophobicContact CZ-CG 4.46Å; F730-L734 WeakPolarHBondContact O-CG 3.33Å; F730-L734 PolarHBondContact O-N 3.07Å; L731-L734 PolarHBondContact O-N 3.37Å; N732-L734 VanDerWaalsContact C-N 3.34Å; N732-L734 PolarHBondContact O-N 3.28Å; L734-A737 PolarHBondContact O-N 3.35Å; L734-A738 VanDerWaalsContact O-CB 3.3Å; L734-A738 WeakPolarHBondContact O-CB 3.43Å; L734-A738 PolarHBondContact O-N 3.39Å
735	A	87.9	Confident	85.9	Confident	49 Å²	49	99.8 Å²	99.8	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-44.8	176.2	0	0	0	0	0	111.8	L731 N732 A738 L739	L731-A735 WeakPolarHBondContact O-CB 3.43Å; L731-A735 PolarHBondContact O-N 2.82Å; N732-A735 PolarHBondContact O-N 2.97Å; A735-A738 PolarHBondContact O-N 2.83Å; A735-L739 WeakPolarHBondContact O-CB 3.33Å; A735-L739 WeakPolarHBondContact O-CG 3.31Å; A735-L739 PolarHBondContact O-N 3.33Å
736	F	88.5	Confident	84.9	Confident	146 Å²	146	105 Å²	105	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-66.1	-39.6	174.8	-80.1	-67.1	0	0	0	112.5	N732 I733 L739 Y740	N732-F736 VanDerWaalsContact O-CD2 3.24Å; N732-F736 WeakPolarHBondContact O-CD2 3.18Å; N732-F736 PolarHBondContact O-N 2.91Å; I733-F736 PolarHBondContact O-N 3.39Å; F736-L739 PolarHBondContact O-N 2.88Å; F736-Y740 VanDerWaalsContact O-CB 3.31Å; F736-Y740 WeakPolarHBondContact O-CB 3.41Å; F736-Y740 PolarHBondContact O-N 2.93Å
737	A	87.9	Confident	83.7	Confident	54 Å²	54	106.5 Å²	106.5	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-42.6	174.6	0	0	0	0	0	112.1	I733 L734 Y740 Y741	I733-A737 VanDerWaalsContact O-CB 3.31Å; I733-A737 WeakPolarHBondContact O-CB 3.41Å; I733-A737 PolarHBondContact O-N 2.92Å; L734-A737 PolarHBondContact O-N 3.35Å; A737-Y740 PolarHBondContact O-N 3.37Å; A737-Y741 WeakPolarHBondContact O-CB 3.3Å; A737-Y741 PolarHBondContact O-N 3.43Å
738	A	85.9	Confident	82.4	Confident	60 Å²	60	108.7 Å²	108.7	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-65.4	-39.8	175.6	0	0	0	0	0	112.2	L734 A735 K742	L734-A738 VanDerWaalsContact O-CB 3.3Å; L734-A738 WeakPolarHBondContact O-CB 3.43Å; L734-A738 PolarHBondContact O-N 3.39Å; A735-A738 PolarHBondContact O-N 2.83Å; A738-K742 WeakPolarHBondContact O-CB 3.31Å; A738-K742 PolarHBondContact O-N 3.42Å
739	L	84.3	Confident	80.9	Confident	111 Å²	111	109.8 Å²	109.8	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-65.6	-40.8	173.1	-75.6	170.6	0	0	0	112.1	A735 F736 K742 R743	A735-L739 WeakPolarHBondContact O-CB 3.33Å; A735-L739 WeakPolarHBondContact O-CG 3.31Å; A735-L739 PolarHBondContact O-N 3.33Å; F736-L739 PolarHBondContact O-N 2.88Å; L739-K742 CarbonylContact O-C 3.54Å; L739-K742 PolarHBondContact O-N 2.91Å; L739-R743 WeakPolarHBondContact O-CB 3.42Å; L739-R743 PolarHBondContact O-N 2.91Å
740	Y	85.8	Confident	79.1	Confident	152 Å²	152	113.2 Å²	113.2	60%	0.596	54%	0.535	S	S	*	.	H	α-helix	trans	-62.7	-49.8	175.7	-171.8	-85.1	0	0	0	110.9	F736 A737 K742 R743 D744	F736-Y740 VanDerWaalsContact O-CB 3.31Å; F736-Y740 WeakPolarHBondContact O-CB 3.41Å; F736-Y740 PolarHBondContact O-N 2.93Å; A737-Y740 PolarHBondContact O-N 3.37Å; Y740-K742 VanDerWaalsContact C-N 3.33Å; Y740-K742 PolarHBondContact O-N 3.21Å; Y740-R743 CarbonylContact O-C 3.57Å; Y740-R743 WeakPolarHBondContact O-CA 3.24Å; Y740-R743 VanDerWaalsContact O-CB 3.31Å; Y740-R743 WeakPolarHBondContact O-CB 3.42Å; Y740-R743 PolarHBondContact O-N 3.44Å; Y740-D744 PolarHBondContact O-N 3.4Å
741	Y	82.9	Confident	77.1	Confident	151 Å²	151	116.3 Å²	116.3	59%	0.592	54%	0.543	S	S	*	.	H	α-helix	trans	-60.9	-39.8	175.8	-174.1	-103.1	0	0	0	112.3	A737 R743 D744 K745	A737-Y741 WeakPolarHBondContact O-CB 3.3Å; A737-Y741 PolarHBondContact O-N 3.43Å; Y741-R743 PolarHBondContact O-N 2.86Å; Y741-D744 PolarHBondContact O-N 2.87Å; Y741-K745 HydrophobicContact CE1-CD 4.24Å; Y741-K745 WeakPolarHBondContact O-CB 3.35Å; Y741-K745 PolarHBondContact O-N 2.91Å
742	K	79.8	Confident	75.1	Confident	136 Å²	136	119.6 Å²	119.6	59%	0.591	56%	0.555	S	S	*	*	H	α-helix	trans	-71.3	-14	173.6	-167.8	174.9	-177.1	177.7	0	113.6	A738 L739 Y740 R746	A738-K742 WeakPolarHBondContact O-CB 3.31Å; A738-K742 PolarHBondContact O-N 3.42Å; L739-K742 CarbonylContact O-C 3.54Å; L739-K742 PolarHBondContact O-N 2.91Å; Y740-K742 VanDerWaalsContact C-N 3.33Å; Y740-K742 PolarHBondContact O-N 3.21Å; K742-R746 PolarHBondContact O-NE 3.48Å
743	R	80.2	Confident	73.3	Confident	155 Å²	155	125.9 Å²	125.9	59%	0.585	57%	0.572	S	S	*	*	H	α-helix	trans	-85.9	-49.8	168.2	-163.3	179.5	89.9	154.6	5.5	110.1	L739 Y740 Y741 R746 H747	L739-R743 WeakPolarHBondContact O-CB 3.42Å; L739-R743 PolarHBondContact O-N 2.91Å; Y740-R743 CarbonylContact O-C 3.57Å; Y740-R743 WeakPolarHBondContact O-CA 3.24Å; Y740-R743 VanDerWaalsContact O-CB 3.31Å; Y740-R743 WeakPolarHBondContact O-CB 3.42Å; Y740-R743 PolarHBondContact O-N 3.44Å; Y741-R743 PolarHBondContact O-N 2.86Å; R743-R746 CarbonylContact O-C 3.56Å; R743-R746 WeakPolarHBondContact O-CA 3.44Å; R743-R746 WeakPolarHBondContact O-CB 3.43Å; R743-R746 PolarHBondContact O-N 2.83Å; R743-H747 PolarHBondContact O-CD2 3.47Å; R743-H747 PolarHBondContact O-N 3.28Å
744	D	78.4	Confident	71.1	Confident	82 Å²	82	128.3 Å²	128.3	44%	0.439	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-45	-174.8	-161.3	41.1	0	0	0	112.2	Y740 Y741 R746 H747 E748	Y740-D744 PolarHBondContact O-N 3.4Å; Y741-D744 PolarHBondContact O-N 2.87Å; D744-R746 PolarHBondContact O-N 3.4Å; D744-H747 CarbonylContact O-C 3.55Å; D744-H747 WeakPolarHBondContact O-CA 3.41Å; D744-H747 WeakPolarHBondContact O-CB 3.48Å; D744-H747 PolarHBondContact O-N 3.09Å; D744-E748 PolarHBondContact O-N 2.94Å
745	K	73.3	Confident	68.4	Low	104 Å²	104	129.6 Å²	129.6	45%	0.452	60%	0.601	S	S	.	*	H	α-helix	trans	-59.8	-22.1	171.9	-166.7	166.1	-172.8	167.2	0	113.6	Y741 M749	Y741-K745 HydrophobicContact CE1-CD 4.24Å; Y741-K745 WeakPolarHBondContact O-CB 3.35Å; Y741-K745 PolarHBondContact O-N 2.91Å; K745-M749 PolarHBondContact O-N 3.28Å
746	R	69.4	Low	66.2	Low	150 Å²	150	132.8 Å²	132.8	57%	0.566	62%	0.618	S	S	*	*	H	α-helix	trans	-85.3	-22.9	170.6	-81.9	-170.5	-77.8	179.8	-1.5	113.6	K742 R743 D744 R750	K742-R746 PolarHBondContact O-NE 3.48Å; R743-R746 CarbonylContact O-C 3.56Å; R743-R746 WeakPolarHBondContact O-CA 3.44Å; R743-R746 WeakPolarHBondContact O-CB 3.43Å; R743-R746 PolarHBondContact O-N 2.83Å; D744-R746 PolarHBondContact O-N 3.4Å; R746-R750 WeakPolarHBondContact O-CG 3.25Å; R746-R750 PolarHBondContact O-N 2.97Å
747	H	61.8	Low	63.6	Low	88 Å²	88	133.1 Å²	133.1	41%	0.407	62%	0.621	S	S	.	*	H	α-helix	trans	-76	-39.1	166.7	-81.7	-89.6	0	0	0	111.6	R743 D744 R750 R751	R743-H747 PolarHBondContact O-CD2 3.47Å; R743-H747 PolarHBondContact O-N 3.28Å; D744-H747 CarbonylContact O-C 3.55Å; D744-H747 WeakPolarHBondContact O-CA 3.41Å; D744-H747 WeakPolarHBondContact O-CB 3.48Å; D744-H747 PolarHBondContact O-N 3.09Å; H747-R750 CarbonylContact O-C 3.57Å; H747-R750 WeakPolarHBondContact O-CA 3.34Å; H747-R750 WeakPolarHBondContact O-CB 3.42Å; H747-R750 PolarHBondContact O-N 2.93Å; H747-R750 VanDerWaalsContact O-N 3.08Å; H747-R751 PolarHBondContact O-N 2.98Å
748	E	61.1	Low	60.9	Low	118 Å²	118	141 Å²	141	55%	0.551	64%	0.64	S	S	*	*	H	α-helix	trans	-61.8	-50.1	177.1	-168.1	171.4	-130.9	0	0	111.7	D744 R750 R751 H752	D744-E748 PolarHBondContact O-N 2.94Å; E748-R750 PolarHBondContact O-N 3.38Å; E748-R751 PolarHBondContact O-N 3.38Å; E748-H752 PolarHBondContact O-N 2.99Å; E748-H752 VanDerWaalsContact O-N 3.13Å
749	M	57.6	Low	58.2	Low	123 Å²	123	141.5 Å²	141.5	61%	0.606	65%	0.651	S	S	*	*	H	α-helix	trans	-63.1	-19.6	172	-72.9	-164	-68.2	0	0	114.1	K745	K745-M749 PolarHBondContact O-N 3.28Å
750	R	51.4	Low	55.7	Low	185 Å²	185	143 Å²	143	70%	0.698	66%	0.664	S	S	*	*	H	α-helix	trans	-80.4	-35.6	170.1	-84.1	-180	166.5	-171.1	-5.2	112.4	R746 H747 E748 R753	R746-R750 WeakPolarHBondContact O-CG 3.25Å; R746-R750 PolarHBondContact O-N 2.97Å; H747-R750 CarbonylContact O-C 3.57Å; H747-R750 WeakPolarHBondContact O-CA 3.34Å; H747-R750 WeakPolarHBondContact O-CB 3.42Å; H747-R750 PolarHBondContact O-N 2.93Å; H747-R750 VanDerWaalsContact O-N 3.08Å; E748-R750 PolarHBondContact O-N 3.38Å; R750-R753 PolarHBondContact O-N 3.4Å
751	R	49.1	Very low	53.8	Low	195 Å²	195	141.1 Å²	141.1	74%	0.736	67%	0.67	S	S	*	*	H	α-helix	trans	-63.6	-41.1	174.2	-71.2	-177.8	-178.6	170.1	2.7	111.7	H747 E748 R753 L754	H747-R751 PolarHBondContact O-N 2.98Å; E748-R751 PolarHBondContact O-N 3.38Å; R751-R753 PolarHBondContact O-N 3.27Å; R751-R753 VanDerWaalsContact O-N 3.13Å; R751-L754 PolarHBondContact O-N 2.93Å; R751-L754 VanDerWaalsContact O-N 3.14Å
752	H	47.2	Very low	51.3	Low	178 Å²	178	138.1 Å²	138.1	82%	0.824	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-3.3	174.7	-83.1	-6.2	0	0	0	115.4	E748	E748-H752 PolarHBondContact O-N 2.99Å; E748-H752 VanDerWaalsContact O-N 3.13Å
753	R	46.1	Very low	48.9	Very low	222 Å²	222	138.2 Å²	138.2	84%	0.838	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	2.2	170.2	-83.3	-171.1	170.3	-168.7	-2.7	114.4	R750 R751	R750-R753 PolarHBondContact O-N 3.4Å; R751-R753 PolarHBondContact O-N 3.27Å; R751-R753 VanDerWaalsContact O-N 3.13Å
754	L	43.8	Very low	46.5	Very low	147 Å²	147	136.8 Å²	136.8	77%	0.77	69%	0.688	S	S	*	*	S	Bend	trans	-137.5	67.9	-172.6	-72.5	171.6	0	0	0	113.5	R751	R751-L754 PolarHBondContact O-N 2.93Å; R751-L754 VanDerWaalsContact O-N 3.14Å
755	S	33	Very low	44.2	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	71%	0.706	S	S	*	*			trans	-153.5	135.1	160.8	-81.3	0	0	0	0	110.5
756	P	42.8	Very low	42.1	Very low	116 Å²	116	139.5 Å²	139.5	75%	0.753	72%	0.719	S	S	*	*			trans	-108.3	169.6	-174.2	40	-35.4	0	0	0	115.9
757	Q	33.3	Very low	40.2	Very low	152 Å²	152	140.8 Å²	140.8	71%	0.71	73%	0.731	S	S	*	*			trans	76	150.3	173.2	-55.2	-167.8	9.3	0	0	116
758	R	31.2	Very low	38.6	Very low	220 Å²	220	140.5 Å²	140.5	83%	0.83	74%	0.738	S	S	*	*			cis	-148.8	163.1	5	-132	157.8	179.4	160.4	-5.4	109.8
759	G	30.5	Very low	37	Very low	71 Å²	71	142 Å²	142	73%	0.732	75%	0.745	S	S	*	*			trans	-73.8	-158	-172.5	0	0	0	0	0	116.2
760	V	31.6	Very low	35.6	Very low	141 Å²	141	142.5 Å²	142.5	86%	0.855	75%	0.746	S	S	*	*			cis	-169.2	165.8	20.5	-178.5	0	0	0	0	106.9
761	P	45.4	Very low	34.7	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	75%	0.751	S	S	*	*			cis	-124.9	-177.7	-38.2	39.7	-23.5	0	0	0	115.4
762	A	29.6	Very low	33.9	Very low	88 Å²	88	139.4 Å²	139.4	73%	0.727	75%	0.748	S	S	*	*			trans	82.8	138.9	140	0	0	0	0	0	124.2
763	N	30.4	Very low	33.3	Very low	139 Å²	139	136.9 Å²	136.9	74%	0.743	74%	0.74	S	S	*	*			trans	91.3	135.3	149.8	-94.4	52.9	0	0	0	124.6
764	D	30.1	Very low	32.6	Very low	125 Å²	125	134 Å²	134	67%	0.668	74%	0.737	S	S	*	*			trans	77.1	99.8	150.1	-56.2	-36.5	0	0	0	124.5
765	L	29.6	Very low	31.9	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	73%	0.73	S	S	*	*				63.7	130.3	126.9	-89.7	73.2	0	0	0	123.9
766	A	28.9	Very low	31.7	Very low	86 Å²	86	132.3 Å²	132.3	71%	0.711	73%	0.726	S	S	*	*			trans	57.9	132	143.9	0	0	0	0	0	119.2
767	H	30	Very low	30.9	Very low	177 Å²	177	135.9 Å²	135.9	82%	0.819	73%	0.733	S	S	*	*			cis	-153.9	160.1	48.8	-123.3	-79.4	0	0	0	114.1
768	S	26.9	Very low	30.6	Very low	81 Å²	81	137.4 Å²	137.4	57%	0.566	74%	0.742	S	S	*	*			trans	-74.6	161.5	157.6	58	0	0	0	0	110.4
769	Q	27.5	Very low	30.4	Very low	149 Å²	149	135.8 Å²	135.8	70%	0.696	74%	0.741	S	S	*	*			cis	-147.7	-176.7	34.1	-103.1	129.4	-85.7	0	0	109
770	E	28.7	Very low	30.2	Very low	135 Å²	135	141.6 Å²	141.6	63%	0.631	75%	0.749	S	S	*	*			cis	-155.1	159.2	12.9	-138.1	125.6	-133	0	0	109.9
771	E	32.9	Very low	29.9	Very low	169 Å²	169	139.7 Å²	139.7	79%	0.79	74%	0.742	S	S	*	*			trans	29.8	142.6	146.4	-61.2	176.4	171.9	0	0	122.4
772	E	32.3	Very low	29.1	Very low	146 Å²	146	143 Å²	143	68%	0.682	75%	0.748	S	S	*	*			cis	-155.9	139.9	-8.3	-109.3	-149.1	127	0	0	107.7
773	I	34.8	Very low	28.9	Very low	125 Å²	125	148.5 Å²	148.5	64%	0.641	76%	0.758	S	S	*	*				59.8	133.4	88.8	-70	-178.8	0	0	0	113.2
774	M	30.3	Very low	28.8	Very low	160 Å²	160	149.4 Å²	149.4	79%	0.788	76%	0.763	S	S	*	*			cis	-162.2	173.3	-14.1	-116.6	-162.1	-74	0	0	107.2
775	S	30.6	Very low	28.7	Very low	89 Å²	89	146.6 Å²	146.6	62%	0.622	76%	0.757	S	S	*	*			cis	-153.7	-147.7	-1.8	46.3	0	0	0	0	106.6
776	L	28.9	Very low	28.6	Very low	140 Å²	140	147.6 Å²	147.6	73%	0.733	76%	0.757	S	S	*	*			cis	-157.6	151.2	1.6	-141.8	172.9	0	0	0	108.4	M778	L776-M778 HydrophobicContact CD2-CG 4.5Å
777	Q	25.3	Very low	28.6	Very low	190 Å²	190	150.8 Å²	150.8	89%	0.888	76%	0.757	S	S	*	*			trans	-147.3	136.2	169.2	-139.4	178.3	-4.1	0	0	108.1
778	M	27.3	Very low	28.4	Very low	185 Å²	185	150 Å²	150	91%	0.911	76%	0.759	S	S	*	*			trans	-101.2	147.2	-178	-98.7	-169.4	168	0	0	113.6	L776	L776-M778 HydrophobicContact CD2-CG 4.5Å
779	K	26.6	Very low	28.4	Very low	185 Å²	185	153 Å²	153	80%	0.804	77%	0.767	S	S	*	*			trans	-79.8	165.7	-180	-66.7	177.1	172	-178.9	0	112.8
780	H	25.9	Very low	28.4	Very low	194 Å²	194	154.8 Å²	154.8	90%	0.898	78%	0.776	S	S	*	*			trans	-140.5	142.1	145.9	-105.3	50.4	0	0	0	110.2
781	S	25.6	Very low	28.7	Very low	101 Å²	101	153.1 Å²	153.1	71%	0.706	78%	0.777	S	S	*	*			trans	-156.4	120.8	171.2	-54.3	0	0	0	0	111.1
782	E	28.2	Very low	28.4	Very low	182 Å²	182	152.5 Å²	152.5	85%	0.85	78%	0.778	S	S	*	*			trans	37.6	129.4	140.9	-60.1	172.2	153.9	0	0	122.3
783	H	26.3	Very low	28.1	Very low	203 Å²	203	156.7 Å²	156.7	94%	0.94	79%	0.788	S	S	*	*			trans	-153.2	164.4	140.2	-110.7	58.1	0	0	0	110.1
784	D	27.3	Very low	27.9	Very low	158 Å²	158	155.9 Å²	155.9	85%	0.845	79%	0.791	S	S	*	*			trans	-144	165.8	-152.1	-156.9	0.8	0	0	0	115.6
785	A	28.1	Very low	27.8	Very low	67 Å²	67	157 Å²	157	55%	0.554	79%	0.793	S	S	*	*			trans	64.1	124.7	161.1	0	0	0	0	0	123
786	H	28.1	Very low	27.6	Very low	177 Å²	177	160.5 Å²	160.5	82%	0.819	81%	0.806	S	S	*	*				-178.2	180	105	-98.9	-65.9	0	0	0	115
787	H	28.3	Very low	27.5	Very low	154 Å²	154	161.7 Å²	161.7	71%	0.713	81%	0.811	S	S	*	*			trans	-77.5	168.3	-163.4	-73.8	-58	0	0	0	115.9
788	D	26.9	Very low	27.6	Very low	159 Å²	159	160.2 Å²	160.2	85%	0.85	81%	0.808	S	S	*	*				-151.1	-179.5	54.5	-93.7	-44.9	0	0	0	116.7
789	L	26.3	Very low	27.5	Very low	144 Å²	144	162.3 Å²	162.3	75%	0.754	81%	0.806	S	S	*	*			trans	-108.3	149	-170.5	-67.3	84.7	0	0	0	115.3
790	E	27.4	Very low	27.5	Very low	188 Å²	188	159.5 Å²	159.5	88%	0.879	81%	0.807	S	S	*	*				-174	163.9	111	-92.7	-135.5	94.9	0	0	111.9
791	P	36.5	Very low	27.5	Very low	100 Å²	100	154.7 Å²	154.7	65%	0.649	80%	0.8	S	S	*	*			trans	-119.4	161.9	-157	41	-31.3	0	0	0	116.7
792	L	26	Very low	27.4	Very low	155 Å²	155	155.2 Å²	155.2	81%	0.812	80%	0.803	S	S	*	*			trans	-176.3	105.8	135.5	-103.4	164.9	0	0	0	116.1
793	R	26.3	Very low	27.4	Very low	234 Å²	234	152 Å²	152	88%	0.883	80%	0.798	S	S	*	*			trans	66.8	160.9	147.9	-79.4	-177.1	179.2	-164.2	-0.8	120.3
794	P	29.5	Very low	27.6	Very low	109 Å²	109	148.2 Å²	148.2	71%	0.708	79%	0.791	S	S	*	*			trans	-117.3	154.6	-141.2	41	-32.6	0	0	0	116.4
795	H	28.5	Very low	27.4	Very low	182 Å²	182	147.4 Å²	147.4	84%	0.843	79%	0.787	S	S	*	*			trans	-141.5	146.4	146.3	-88.1	-73.2	0	0	0	108.9	I797	H795-I797 PolarHBondContact O-N 3.45Å
796	D	26.6	Very low	27.4	Very low	164 Å²	164	154.9 Å²	154.9	88%	0.877	80%	0.802	S	S	*	*			trans	-69.5	124.1	-174	-61.8	-81	0	0	0	112.6
797	I	25.8	Very low	27.4	Very low	164 Å²	164	152.3 Å²	152.3	84%	0.841	80%	0.799	S	S	*	*			trans	-107.6	102.9	170.1	-62.4	179.4	0	0	0	108.3	H795	H795-I797 PolarHBondContact O-N 3.45Å
798	L	28	Very low	27.5	Very low	160 Å²	160	150.6 Å²	150.6	84%	0.838	80%	0.795	S	S	*	*			trans	-65.6	147.5	162.8	-75.9	166.3	0	0	0	109.6
799	R	25.3	Very low	27.5	Very low	228 Å²	228	146.4 Å²	146.4	86%	0.86	78%	0.782	S	S	*	*			trans	-56.6	143.9	-178.9	-70.7	174	170.8	155.9	-4.9	111.3	A801	R799-A801 PolarHBondContact O-N 2.88Å
800	P	25.8	Very low	27.7	Very low	127 Å²	127	148.2 Å²	148.2	83%	0.825	79%	0.791	S	S	*	*			trans	-62.6	112.6	162.9	28	-32.6	0	0	0	108.6
801	A	26.2	Very low	28.5	Very low	92 Å²	92	147.2 Å²	147.2	76%	0.76	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.9	140.9	166.4	0	0	0	0	0	108.8	R799	R799-A801 PolarHBondContact O-N 2.88Å
802	C	24.6	Very low	28.9	Very low	112 Å²	112	147.9 Å²	147.9	76%	0.757	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59.3	146	166.8	-60	0	0	0	0	109.4
803	P	27.7	Very low	30	Very low	115 Å²	115	141.6 Å²	141.6	75%	0.747	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.6	169.8	26.6	-34.1	0	0	0	109	D805	P803-D805 PolarHBondContact O-N 3.37Å
804	P	29.8	Very low	31	Very low	123 Å²	123	131 Å²	131	80%	0.799	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.2	136.9	-176.5	25.8	-33.6	0	0	0	110.9
805	D	24.5	Very low	32	Very low	141 Å²	141	129 Å²	129	75%	0.754	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-57.1	144.6	174.9	-86.7	-60.1	0	0	0	111.4	P803 T807	P803-D805 PolarHBondContact O-N 3.37Å; D805-T807 HydrophobicContact CB-CG2 4.27Å; D805-T807 PolarHBondContact O-N 3.06Å
806	Y	27.9	Very low	32.8	Very low	225 Å²	225	125 Å²	125	88%	0.882	67%	0.669	S	S	*	*			trans	-75.9	53.9	-175.9	-144.7	-88.1	0	0	0	112	L808	Y806-L808 PolarHBondContact O-N 3.05Å
807	T	26.7	Very low	33.9	Very low	123 Å²	123	118 Å²	118	76%	0.755	63%	0.633	S	S	*	*			trans	-72.1	94.2	-179.6	55.1	0	0	0	0	110.3	D805 A809	D805-T807 HydrophobicContact CB-CG2 4.27Å; D805-T807 PolarHBondContact O-N 3.06Å; T807-A809 PolarHBondContact O-N 2.98Å
808	L	31.5	Very low	34.6	Very low	118 Å²	118	113.4 Å²	113.4	62%	0.618	61%	0.613	S	S	*	*			trans	-38.8	102.7	168.7	-73.3	150.5	0	0	0	112	K625 Y806	K625-L808 VanDerWaalsContact NZ-CD1 3.27Å; Y806-L808 PolarHBondContact O-N 3.05Å
809	A	26.8	Very low	35.3	Very low	71 Å²	71	108.5 Å²	108.5	59%	0.587	59%	0.587	S	S	*	*			trans	-62	135.7	161.2	0	0	0	0	0	108.5	T807 R811	T807-A809 PolarHBondContact O-N 2.98Å; A809-R811 HydrophobicContact CB-CG 4.41Å; A809-R811 PolarHBondContact O-N 3.47Å
810	L	30.7	Very low	36	Very low	181 Å²	181	103 Å²	103	95%	0.948	57%	0.573	S	S	*	*			trans	-74.1	67.9	173.2	-74.6	97.6	0	0	0	110.7
811	R	44	Very low	36.4	Very low	168 Å²	168	100.9 Å²	100.9	63%	0.634	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-74.6	121.4	162.5	-67.9	176.3	170.9	167.1	-3.5	107	A809 A813	A809-R811 HydrophobicContact CB-CG 4.41Å; A809-R811 PolarHBondContact O-N 3.47Å; R811-A813 PolarHBondContact O-N 2.88Å
812	R	45.8	Very low	36.8	Very low	114 Å²	114	101.6 Å²	101.6	43%	0.43	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-55.6	138.3	171	-70.4	-178.6	-173.6	138.2	3.6	109.4	D476 M485 K488 D816	D476-R812 IonicContact OD2-NH1 2.9Å; M485-R812 HydrophobicContact CE-CB 4.4Å; K488-R812 PolarHBondContact NZ-O 3.25Å; R812-D816 HydrophobicContact CB-CB 4.14Å; R812-D816 HydrophobicContact CG-CB 4.44Å
813	A	49.1	Very low	37.3	Very low	22 Å²	22	103.7 Å²	103.7	18%	0.182	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-71.5	157.7	165.3	0	0	0	0	0	109.3	R811 D815 D816	R811-A813 PolarHBondContact O-N 2.88Å; A813-D815 HydrophobicContact CB-CB 4.18Å; A813-D815 PolarHBondContact O-N 3.48Å; A813-D815 VanDerWaalsContact O-N 3.17Å; A813-D816 WeakPolarHBondContact CB-OD2 3.23Å; A813-D816 PolarHBondContact N-OD2 2.79Å; A813-D816 WeakPolarHBondContact O-CB 3.45Å; A813-D816 PolarHBondContact O-N 2.96Å
814	P	46.9	Very low	37.7	Very low	12 Å²	12	101.3 Å²	101.3	8%	0.078	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-60.9	-21.5	169.3	-18.3	31.7	0	0	0	112.2	K488 A492 D816	K488-P814 HydrophobicContact CB-CG 4.5Å; A492-P814 HydrophobicContact CB-CB 4.12Å; P814-D816 VanDerWaalsContact C-N 3.3Å
815	D	49	Very low	37.8	Very low	68 Å²	68	101.6 Å²	101.6	36%	0.364	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-67.1	-27	171.3	-50.5	-48.5	0	0	0	113	Y523 R633 A813	Y523-D815 PolarHBondContact OH-OD1 3.26Å; Y523-D815 PolarHBondContact OH-OD2 2.99Å; R633-D815 WeakPolarHBondContact CD-OD1 3.45Å; R633-D815 WeakPolarHBondContact CG-OD1 3.35Å; R633-D815 IonicContact CZ-OD1 3.5Å; R633-D815 IonicContact NE-OD1 3.95Å; R633-D815 IonicContact NH1-OD1 2.71Å; R633-D815 PolarHBondContact NH1-OD1 3.47Å; A813-D815 HydrophobicContact CB-CB 4.18Å; A813-D815 PolarHBondContact O-N 3.48Å; A813-D815 VanDerWaalsContact O-N 3.17Å
816	D	45.9	Very low	38.1	Very low	96 Å²	96	100.9 Å²	100.9	51%	0.513	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-90.4	-0.4	-176.5	-59.9	-47.7	0	0	0	113.3	R812 A813 P814 P818	R812-D816 HydrophobicContact CB-CB 4.14Å; R812-D816 HydrophobicContact CG-CB 4.44Å; A813-D816 WeakPolarHBondContact CB-OD2 3.23Å; A813-D816 PolarHBondContact N-OD2 2.79Å; A813-D816 WeakPolarHBondContact O-CB 3.45Å; A813-D816 PolarHBondContact O-N 2.96Å; P814-D816 VanDerWaalsContact C-N 3.3Å; D816-P818 WeakPolarHBondContact O-CD 3.34Å
817	V	49.6	Very low	38.2	Very low	19 Å²	19	98.4 Å²	98.4	12%	0.115	54%	0.535	C	S	.	.			trans	-66.6	111	-177	174.2	0	0	0	0	109.8	D476 M485 L819	D476-V817 HydrophobicContact CB-CG1 3.83Å; M485-V817 HydrophobicContact SD-CG2 4.33Å; V817-L819 PolarHBondContact O-N 3.32Å
818	P	40.8	Very low	38.4	Very low	67 Å²	67	99.8 Å²	99.8	44%	0.435	54%	0.536	S	S	.	.			trans	-76	112.5	-171.6	-13	29.7	0	0	0	110.9	D816	D816-P818 WeakPolarHBondContact O-CD 3.34Å
819	L	42.3	Very low	38.2	Very low	56 Å²	56	99.2 Å²	99.2	29%	0.293	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-65.4	134.2	162.5	-69.4	175.1	0	0	0	108.8	M473 N635 V817 T821	M473-L819 HydrophobicContact CE-CD1 4.03Å; M473-L819 HydrophobicContact CE-CD2 4.38Å; M473-L819 HydrophobicContact SD-CD2 4.12Å; N635-L819 HydrophobicContact CB-CD1 3.91Å; V817-L819 PolarHBondContact O-N 3.32Å; L819-T821 PolarHBondContact O-N 3.06Å
820	M	39.6	Very low	38.4	Very low	112 Å²	112	101.4 Å²	101.4	55%	0.552	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-62.2	129.6	179	-70.2	-148.6	-179	0	0	110.8	W477 T824	W477-M820 HydrophobicContact CB-CE 3.95Å; M820-T824 HydrophobicContact SD-CG2 3.6Å; M820-T824 VanDerWaalsContact SD-CG2 3.6Å
821	T	35.2	Very low	38.6	Very low	83 Å²	83	98 Å²	98	51%	0.509	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-66.9	153.9	174.2	69.1	0	0	0	0	110.6	L819 N823 T824	L819-T821 PolarHBondContact O-N 3.06Å; T821-N823 PolarHBondContact O-N 2.94Å; T821-T824 WeakPolarHBondContact O-CB 3.48Å; T821-T824 PolarHBondContact O-N 3.05Å; T821-T824 PolarHBondContact O-OG1 2.7Å; T821-T824 PolarHBondContact OG1-OG1 3.14Å
822	P	34.8	Very low	38.1	Very low	107 Å²	107	97.9 Å²	97.9	70%	0.695	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-53	-27.4	-178.4	-29.6	36.3	0	0	0	114.8	T824 I825	P822-T824 PolarHBondContact O-N 3.33Å; P822-T824 VanDerWaalsContact O-N 3.07Å; P822-I825 PolarHBondContact O-N 3.36Å
823	N	34.9	Very low	37.4	Very low	157 Å²	157	99.1 Å²	99.1	84%	0.84	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-67.9	-1.3	177.2	-62.6	-10.8	0	0	0	114.3	T821	T821-N823 PolarHBondContact O-N 2.94Å
824	T	35	Very low	36.6	Very low	65 Å²	65	103.3 Å²	103.3	40%	0.399	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-105.8	1.7	-176	-21.5	0	0	0	0	113.1	M820 T821 P822 T826	M820-T824 HydrophobicContact SD-CG2 3.6Å; M820-T824 VanDerWaalsContact SD-CG2 3.6Å; T821-T824 WeakPolarHBondContact O-CB 3.48Å; T821-T824 PolarHBondContact O-N 3.05Å; T821-T824 PolarHBondContact O-OG1 2.7Å; T821-T824 PolarHBondContact OG1-OG1 3.14Å; P822-T824 PolarHBondContact O-N 3.33Å; P822-T824 VanDerWaalsContact O-N 3.07Å; T824-T826 PolarHBondContact O-N 3.45Å; T824-T826 VanDerWaalsContact O-N 3.09Å
825	I	33.4	Very low	35.7	Very low	128 Å²	128	112 Å²	112	66%	0.656	64%	0.638	S	S	*	*			trans	-83.1	86.9	-176.3	-54.7	174.6	0	0	0	110.2	P822	P822-I825 PolarHBondContact O-N 3.36Å
826	T	30.7	Very low	34.9	Very low	126 Å²	126	117.6 Å²	117.6	77%	0.773	66%	0.662	S	S	*	*			trans	-127.6	28.6	175.1	51.9	0	0	0	0	114.2	T824	T824-T826 PolarHBondContact O-N 3.45Å; T824-T826 VanDerWaalsContact O-N 3.09Å
827	M	29.9	Very low	34.1	Very low	174 Å²	174	118.8 Å²	118.8	86%	0.857	68%	0.675	S	S	*	*			trans	-136.5	101	165	-73.9	-66.1	-95.2	0	0	110.1
828	I	29.8	Very low	33.1	Very low	151 Å²	151	126.1 Å²	126.1	77%	0.774	71%	0.712	S	S	*	*			trans	-94.5	120.5	171.9	-63.5	171.3	0	0	0	108.2	S830	I828-S830 PolarHBondContact O-N 3.34Å
829	P	28.1	Very low	32.6	Very low	107 Å²	107	131.3 Å²	131.3	70%	0.695	73%	0.73	S	S	*	*			trans	-63.3	120.8	167.3	-18.9	32.3	0	0	0	109.5	T831	P829-T831 PolarHBondContact O-N 2.99Å
830	S	30.7	Very low	31.9	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	76%	0.755	S	S	*	*	S	Bend	trans	-79.4	51.7	-169.8	60	0	0	0	0	113.9	I828	I828-S830 PolarHBondContact O-N 3.34Å
831	T	35.5	Very low	31.3	Very low	111 Å²	111	137.9 Å²	137.9	68%	0.681	77%	0.772	S	S	*	*			trans	-147.4	77.9	178	52.7	0	0	0	0	111.9	P829	P829-T831 PolarHBondContact O-N 2.99Å
832	I	34.1	Very low	30.8	Very low	165 Å²	165	140.7 Å²	140.7	85%	0.846	78%	0.784	S	S	*	*			trans	-175.7	122.4	151.9	-94.2	146.5	0	0	0	105.9
833	T	29.9	Very low	30.4	Very low	140 Å²	140	142.2 Å²	142.2	86%	0.859	79%	0.791	S	S	*	*			trans	-137	48	-167.7	-35.1	0	0	0	0	113
834	S	31.6	Very low	30	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	79%	0.793	S	S	*	*			trans	-164	62.1	177.3	62.3	0	0	0	0	116.3
835	M	29.4	Very low	29.8	Very low	195 Å²	195	146.9 Å²	146.9	96%	0.961	81%	0.811	S	S	*	*			trans	-144.9	140.8	152.3	-79.6	-156.7	171.2	0	0	111
836	Q	30.8	Very low	29.5	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89.1	148	171.3	-69.5	-177.1	-67.4	0	0	110.2	L838	Q836-L838 PolarHBondContact O-N 3.11Å
837	P	30	Very low	29.4	Very low	121 Å²	121	147.6 Å²	147.6	79%	0.786	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-73	126.2	176.8	29.9	-33.6	0	0	0	111
838	L	29.2	Very low	29.2	Very low	173 Å²	173	143 Å²	143	91%	0.906	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-87.3	146.4	163.5	-76.1	168.4	0	0	0	109.9	Q836	Q836-L838 PolarHBondContact O-N 3.11Å
839	H	29.5	Very low	29.2	Very low	176 Å²	176	145 Å²	145	82%	0.815	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-73.5	150.2	-168.1	-72.1	-90.8	0	0	0	113.8
840	A	27.4	Very low	29.1	Very low	97 Å²	97	147.4 Å²	147.4	80%	0.802	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-65.5	140.3	169.6	0	0	0	0	0	111.6
841	F	26.6	Very low	29	Very low	209 Å²	209	148.8 Å²	148.8	92%	0.917	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-85.2	134.7	172.4	-96.5	-93.4	0	0	0	111.5
842	N	25.7	Very low	28.6	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-78.3	138.8	-179.4	-68.5	-46.9	0	0	0	112.2
843	T	26.6	Very low	28.4	Very low	139 Å²	139	150.4 Å²	150.4	85%	0.853	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-79.2	124.5	163.6	45.1	0	0	0	0	110.9
844	F	25.8	Very low	28.6	Very low	197 Å²	197	149.1 Å²	149.1	86%	0.864	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-89.9	134.7	167.6	-84.6	-88.3	0	0	0	110.9
845	P	32.2	Very low	28.5	Very low	122 Å²	122	152.2 Å²	152.2	79%	0.792	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-85.4	147.3	163.7	34.5	-31.9	0	0	0	110.8
846	S	26.5	Very low	28.6	Very low	120 Å²	120	148.2 Å²	148.2	84%	0.839	83%	0.831	S	S	*	*			trans	-142.7	145.1	165.2	66.3	0	0	0	0	111.6
847	T	27.7	Very low	28.4	Very low	149 Å²	149	148.4 Å²	148.4	91%	0.914	83%	0.831	S	S	*	*			trans	-138.6	136.6	177.6	46.4	0	0	0	0	109.2
848	G	27.2	Very low	28.4	Very low	78 Å²	78	147.6 Å²	147.6	80%	0.804	83%	0.829	S	S	*	*			trans	161.7	122.5	177	0	0	0	0	0	112.8
849	H	29.4	Very low	28.5	Very low	192 Å²	192	145.9 Å²	145.9	89%	0.889	83%	0.826	S	S	*	*			trans	-84.3	150.1	170.9	-68.4	-15.2	0	0	0	111.3
850	N	25.1	Very low	28.6	Very low	158 Å²	158	143.6 Å²	143.6	85%	0.845	82%	0.824	S	S	*	*				-158.5	162.3	122.6	-124.1	-31.4	0	0	0	113.3
851	N	29.5	Very low	29	Very low	146 Å²	146	151 Å²	151	78%	0.781	83%	0.831	S	S	*	*			trans	-92.2	138.4	-175.4	-60.9	-52.9	0	0	0	113.1
852	T	27.1	Very low	29.5	Very low	147 Å²	147	151.1 Å²	151.1	90%	0.902	85%	0.849	S	S	*	*			trans	-164.8	140.1	134.3	18.1	0	0	0	0	112.4
853	L	30.1	Very low	29.6	Very low	163 Å²	163	151.6 Å²	151.6	85%	0.853	85%	0.853	S	S	*	*			trans	-87.1	153.1	161.2	-85.1	163	0	0	0	109
854	P	33.6	Very low	29.8	Very low	113 Å²	113	152.3 Å²	152.3	73%	0.734	85%	0.853	S	S	*	*				-150.2	146.1	87.6	38	-19.8	0	0	0	117.7
855	H	28.4	Very low	30	Very low	174 Å²	174	149.8 Å²	149.8	81%	0.806	85%	0.853	S	S	*	*			trans	39.2	148.9	145.2	-72.8	-68	0	0	0	124.4
856	P	32.5	Very low	29.9	Very low	111 Å²	111	151.4 Å²	151.4	72%	0.721	86%	0.856	S	S	*	*			trans	-88.8	159.9	-173.8	37.5	-37.1	0	0	0	114.1
857	H	27.3	Very low	30.1	Very low	190 Å²	190	153.4 Å²	153.4	88%	0.88	86%	0.857	S	S	*	*			trans	-116.4	135	162.3	-90.9	-79.2	0	0	0	111.2
858	S	28.1	Very low	30.3	Very low	104 Å²	104	153.7 Å²	153.7	73%	0.727	85%	0.853	S	S	*	*			trans	-89.2	140.4	172.7	172.4	0	0	0	0	110.7
859	T	31.8	Very low	30.5	Very low	137 Å²	137	159.1 Å²	159.1	84%	0.84	86%	0.857	S	S	*	*			trans	-138.4	101.6	161.4	50.5	0	0	0	0	110.1
860	T	31.3	Very low	30.6	Very low	128 Å²	128	156.5 Å²	156.5	79%	0.785	86%	0.855	S	S	*	*			trans	-63.4	149.7	155.4	35.7	0	0	0	0	110.2
861	R	36.1	Very low	31	Very low	252 Å²	252	156.4 Å²	156.4	95%	0.951	86%	0.855	S	S	*	*			trans	-146.8	164.2	152.6	-119.6	172.4	-170.3	-173.7	0.9	112.4
862	V	36.8	Very low	31.2	Very low	212 Å²	212	157.4 Å²	157.4	100%	1.285	86%	0.862	S	S	*	*			trans	-95.7	0	-174.5	-175.5	0	0	0	0	108.9

Retrieved 862 of 862 residues in 1320.4 ms (Link to these results)

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