A0A3Q0KE92_SCHMA Loading...

Ribonuclease III, putative

AlphaFold DB , UniProt , Accession A0A3Q0KE92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 954 aa.

						>A0A3Q0KE92_SCHMA|A0A3Q0KE92
MWIPPVSDNPTPFNIERELLPTVISEPSSKTSSLSSTTGTLDRDSLKENCPQYTPQNVRYQHYPVPKVRCLSFPYQTLPSCGSAVYLYTWSLPRSDIMTQLCSLAAACFQDTSTTVGLLFSKPISKKGYVCRIPLYLTRGMARSRVRLTGKFTLSEKELKCVESAHHVIAELITNIAHMSHVGYKPSDPLLRAHFDRQNASTNIPESLRVVLFDRFGDLSFNPEKANILSLVTLIRLPDYTVDYEALGALLEWSLCRDKGISTADDNFPTHVKPVHGIVPKWRIRLSQIPQDNWVGLVVKPNHLPDSDPGMFSISKVSSETASSPVPETLASKLGDIQNVKGASPLTYSDYYRIKYQQMKTISFTIDPSLPLFECLRITRHQNSTQVNAGLRKNKASIKPSLFLSDACLVHPLSSWIWFQVSLVPTILYQMSRALLASQLFTELNYELKSPQPFSQIRINSLTISNDSLSHTTILVPDRLSVPVFLNGEPMEQNIFDFEVDRATSEIDKELDNKAHSESLEKSTICPHPNNLIEPTTLLGARDAVDLERLEFYGDSFLHFIATLCVYGTNPQDADEGCLSSKRGSLVSNAHLCDIACDLKWYEYCTGQTFSPPEHFLPPCYSVASEACKYDPRLYTRLTDKSLADMVEALIGCFLLRSGLSAAFNLLHYFQICPVSWSTLKNDKHYKVEAPWHFFLQPKLYSELNCGNALNASCRSLHISKEIILELNQRFFQLQEKLGYYFKGIELLAEAMTHQSSINKQYWGNYQRLEFLGDSILGHIISNYLFQKCPNSSPGALTTARSTVVSNINLANVVVEHDIYPFIDFGNCSLKACIDDIKSIHRQTDSHFERIELITKKVSSGLNVKVLADVFESILGAIFVDSNGNHQVASSIIHRFLGKTMNSVITNLLVQPVSLPYPDIRYNNSTAMSPKLHEDIHDSVTSINGKRLCVTENT
					

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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	25.3	Very low	24.7	Very low	234 Å²	234	149.7 Å²	149.7	100%	1.153	82%	0.82	S	S	*	*				0	125.3	0	-83.9	166.8	165.9	0	0	107.8
2	W	24	Very low	24.7	Very low	254 Å²	254	146.5 Å²	146.5	96%	0.962	81%	0.811	S	S	*	*			trans	33.4	99.9	162.1	-71.3	64.2	0	0	0	118.6
3	I	22	Very low	25	Very low	163 Å²	163	149.9 Å²	149.9	84%	0.836	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-99.3	128.1	163.6	-57.5	168.3	0	0	0	107.7
4	P	24.8	Very low	25.1	Very low	103 Å²	103	150 Å²	150	67%	0.669	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-96	146.5	155.6	34.4	-27.8	0	0	0	110.6
5	P	26	Very low	25.7	Very low	128 Å²	128	146.7 Å²	146.7	83%	0.831	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-78.5	135.3	-177.1	31.7	-33.7	0	0	0	111.7
6	V	27.4	Very low	26	Very low	141 Å²	141	145.1 Å²	145.1	86%	0.855	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-95.6	121.3	168.5	178.1	0	0	0	0	108.4
7	S	23.4	Very low	26.2	Very low	92 Å²	92	144.9 Å²	144.9	64%	0.643	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-85.4	152.1	170.8	52.5	0	0	0	0	111.5
8	D	23.9	Very low	26.4	Very low	149 Å²	149	144 Å²	144	80%	0.797	76%	0.755	S	S	*	*			trans	63	77.6	160.3	-50.7	-27.1	0	0	0	117.5
9	N	24.1	Very low	26.5	Very low	154 Å²	154	143.3 Å²	143.3	82%	0.824	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-62.9	130.3	155.7	-80.4	-30.8	0	0	0	110.2
10	P	25.7	Very low	26.4	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.8	133.9	159.2	30.3	-31.7	0	0	0	108.7
11	T	24.8	Very low	26.3	Very low	114 Å²	114	142.6 Å²	142.6	70%	0.699	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-57.5	128.7	176.9	45.6	0	0	0	0	110.9	F13	T11-F13 PolarHBondContact O-N 2.92Å
12	P	24.7	Very low	26.2	Very low	111 Å²	111	137.2 Å²	137.2	72%	0.721	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.1	124.1	171.4	28	-32.4	0	0	0	108.9	N14	P12-N14 PolarHBondContact O-N 2.8Å
13	F	29.5	Very low	26.3	Very low	191 Å²	191	131.8 Å²	131.8	84%	0.838	73%	0.729	S	S	*	*			trans	-68.7	103.1	171	-85.7	-93.1	0	0	0	108.7	T11 I15	T11-F13 PolarHBondContact O-N 2.92Å; F13-I15 PolarHBondContact O-N 3.06Å; F13-I15 VanDerWaalsContact O-N 3.13Å
14	N	26.6	Very low	26.3	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	72%	0.722	S	S	*	*			trans	-66.6	109.3	171.6	-88.1	-18	0	0	0	109.7	P12 E16	P12-N14 PolarHBondContact O-N 2.8Å; N14-E16 PolarHBondContact O-N 3.47Å
15	I	33	Very low	26.3	Very low	101 Å²	101	130.2 Å²	130.2	52%	0.518	72%	0.723	S	S	.	*			trans	-78.3	100.3	169.8	-59.2	175.2	0	0	0	107.6	F13 R17	F13-I15 PolarHBondContact O-N 3.06Å; F13-I15 VanDerWaalsContact O-N 3.13Å; I15-R17 PolarHBondContact O-N 3.4Å
16	E	31.4	Very low	26.2	Very low	120 Å²	120	132.7 Å²	132.7	56%	0.561	72%	0.724	S	S	*	*			trans	-67	98.6	178	-69.7	-170.1	147.9	0	0	111.2	N14 E18 K629	N14-E16 PolarHBondContact O-N 3.47Å; E16-E18 VanDerWaalsContact C-N 3.32Å; E16-E18 PolarHBondContact O-N 3.44Å; E16-K629 IonicContact OE2-NZ 3.18Å; E16-K629 PolarHBondContact OE2-NZ 3.36Å
17	R	28.9	Very low	26.2	Very low	142 Å²	142	130.9 Å²	130.9	54%	0.536	72%	0.715	S	S	.	*			trans	-77.9	70.8	174.9	-70.8	-178.5	171	-178.3	-4.3	111.9	I15 R59 D594	I15-R17 PolarHBondContact O-N 3.4Å; R17-R59 PolarHBondContact O-NH2 3.15Å; R17-D594 IonicContact NH2-OD1 3.85Å; R17-D594 PolarHBondContact NH2-OD1 3.46Å
18	E	30.5	Very low	26.1	Very low	129 Å²	129	131.8 Å²	131.8	60%	0.603	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-63.6	139.4	175.8	-78.9	-176.1	168.7	0	0	112.8	E16 K629	E16-E18 VanDerWaalsContact C-N 3.32Å; E16-E18 PolarHBondContact O-N 3.44Å; E18-K629 IonicContact OE1-NZ 2.77Å
19	L	27	Very low	26.3	Very low	130 Å²	130	130.7 Å²	130.7	68%	0.681	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-98.4	121.3	160.7	-75.1	164.2	0	0	0	106.6	P21	L19-P21 WeakPolarHBondContact O-CD 3.32Å
20	L	25.4	Very low	26.2	Very low	167 Å²	167	132.9 Å²	132.9	87%	0.874	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-60.7	124.1	170.9	-79.7	167	0	0	0	109	T22	L20-T22 PolarHBondContact O-N 3.01Å
21	P	25.2	Very low	26.2	Very low	106 Å²	106	134.7 Å²	134.7	69%	0.688	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-71.9	131.7	-178.9	27.8	-33.1	0	0	0	110.5	L19 V23	L19-P21 WeakPolarHBondContact O-CD 3.32Å; P21-V23 PolarHBondContact O-N 2.75Å; P21-V23 VanDerWaalsContact O-N 3.07Å
22	T	23.1	Very low	26.1	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	74%	0.741	S	S	*	*			trans	-58.5	108.6	163.9	34.6	0	0	0	0	109.8	L20 I24	L20-T22 PolarHBondContact O-N 3.01Å; T22-I24 PolarHBondContact O-N 3.24Å; T22-I24 VanDerWaalsContact O-N 3.15Å
23	V	24.6	Very low	26.2	Very low	141 Å²	141	134.3 Å²	134.3	86%	0.855	74%	0.741	S	S	*	*			trans	-69.4	108.5	169.5	178.8	0	0	0	0	108.2	P21	P21-V23 PolarHBondContact O-N 2.75Å; P21-V23 VanDerWaalsContact O-N 3.07Å
24	I	22.7	Very low	26	Very low	133 Å²	133	133 Å²	133	68%	0.682	74%	0.742	S	S	*	*			trans	-113	137.3	173	-72.4	176.2	0	0	0	108.1	T22	T22-I24 PolarHBondContact O-N 3.24Å; T22-I24 VanDerWaalsContact O-N 3.15Å
25	S	23.8	Very low	25.9	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	74%	0.737	S	S	*	*			trans	72	150.4	166.6	76.4	0	0	0	0	115.9
26	E	24	Very low	25.6	Very low	180 Å²	180	130.3 Å²	130.3	84%	0.841	74%	0.744	S	S	*	*			cis	-141.3	177.5	27.4	-99.1	-155.6	162.8	0	0	115.1
27	P	27.2	Very low	25.3	Very low	103 Å²	103	130.7 Å²	130.7	67%	0.669	76%	0.755	S	S	*	*			trans	-110.5	163.5	-148.9	42	-37.7	0	0	0	118.2
28	S	22.8	Very low	25.2	Very low	112 Å²	112	130.7 Å²	130.7	78%	0.783	77%	0.771	S	S	*	*			trans	43.4	119.7	145	66.7	0	0	0	0	121.6
29	S	26.5	Very low	25	Very low	126 Å²	126	127.5 Å²	127.5	88%	0.881	77%	0.772	S	S	*	*				-151.9	150.6	125.7	61	0	0	0	0	112
30	K	23.1	Very low	24.8	Very low	200 Å²	200	128.1 Å²	128.1	87%	0.87	78%	0.782	S	S	*	*			trans	-88.8	143.7	-174.5	-58.1	161.7	178.1	171.5	0	110.7
31	T	26.2	Very low	24.9	Very low	152 Å²	152	128 Å²	128	93%	0.933	78%	0.781	S	S	*	*			trans	-155.2	140.6	132.4	20.2	0	0	0	0	110.9
32	S	22.5	Very low	24.7	Very low	114 Å²	114	130.5 Å²	130.5	80%	0.797	79%	0.789	S	S	*	*			trans	-106.8	145.5	-174.2	52	0	0	0	0	112.4
33	S	26.2	Very low	24.9	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	79%	0.794	S	S	*	*			trans	-167.8	129	136.5	53.7	0	0	0	0	113.2
34	L	25.6	Very low	25	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	79%	0.788	S	S	*	*			trans	28.1	144.9	137.4	-66.7	93.8	0	0	0	119.8
35	S	24.7	Very low	24.9	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	79%	0.793	S	S	*	*			cis	-173.9	168.5	1.2	49.4	0	0	0	0	106.3
36	S	26.7	Very low	24.9	Very low	94 Å²	94	137 Å²	137	66%	0.657	80%	0.799	S	S	*	*			cis	-170.7	144.6	29.5	49.6	0	0	0	0	111.1
37	T	24.4	Very low	25	Very low	129 Å²	129	138.6 Å²	138.6	79%	0.791	80%	0.803	S	S	*	*			trans	34.9	132.3	140.6	61.1	0	0	0	0	120.7
38	T	27.9	Very low	24.9	Very low	142 Å²	142	141.7 Å²	141.7	87%	0.871	81%	0.809	S	S	*	*			cis	-145.5	-179.2	18.7	52	0	0	0	0	110.4
39	G	24.8	Very low	24.9	Very low	61 Å²	61	144 Å²	144	63%	0.629	81%	0.812	S	S	*	*			cis	144.7	132.2	-11.7	0	0	0	0	0	114.1
40	T	24.1	Very low	24.7	Very low	143 Å²	143	143.5 Å²	143.5	88%	0.877	81%	0.807	S	S	*	*			trans	63.1	142.2	175.2	71.6	0	0	0	0	117.8
41	L	26.6	Very low	24.7	Very low	166 Å²	166	139.7 Å²	139.7	87%	0.869	80%	0.803	S	S	*	*			cis	-134.3	150.1	23	-78.9	159.1	0	0	0	113.8
42	D	21.3	Very low	24.5	Very low	158 Å²	158	141 Å²	141	85%	0.845	80%	0.799	S	S	*	*			trans	-70.8	148.9	165.5	-72.9	-63.4	0	0	0	113
43	R	26.5	Very low	24.5	Very low	223 Å²	223	145.8 Å²	145.8	84%	0.842	80%	0.801	S	S	*	*			trans	-160.1	138.5	139.1	-112	-178.1	-165.6	-166.6	2	113.7
44	D	26.3	Very low	24.4	Very low	135 Å²	135	146 Å²	146	72%	0.722	80%	0.798	S	S	*	*			trans	69.1	78.1	149.5	-50.6	-27.4	0	0	0	118.8	L46	D44-L46 PolarHBondContact O-N 3.15Å
45	S	21.2	Very low	24.7	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	79%	0.789	S	S	*	*			trans	-47.9	120.5	142.3	50.6	0	0	0	0	112.5
46	L	23.6	Very low	25	Very low	157 Å²	157	146.6 Å²	146.6	82%	0.822	79%	0.794	S	S	*	*			trans	170.8	86.6	149	-97	162.6	0	0	0	110.3	D44	D44-L46 PolarHBondContact O-N 3.15Å
47	K	26.2	Very low	25.5	Very low	214 Å²	214	149.8 Å²	149.8	93%	0.93	80%	0.804	S	S	*	*			trans	-143.9	109.4	155.4	-78.4	-158.4	174.9	-178.3	0	110.3
48	E	25.6	Very low	26.7	Very low	169 Å²	169	147.1 Å²	147.1	79%	0.79	79%	0.787	S	S	*	*			trans	-74.6	139.9	176.7	-62.5	170.6	125	0	0	111.1	C50	E48-C50 PolarHBondContact O-N 3.24Å; E48-C50 VanDerWaalsContact O-N 3.17Å
49	N	23	Very low	28.3	Very low	159 Å²	159	145 Å²	145	85%	0.85	76%	0.763	S	S	*	*			trans	25.2	75.4	144.2	-59.4	-21.1	0	0	0	118.5
50	C	21.6	Very low	30.7	Very low	116 Å²	116	147.6 Å²	147.6	78%	0.784	76%	0.755	S	S	*	*			trans	-88.5	130.1	142.1	-82.6	0	0	0	0	108.4	E48 Q52	E48-C50 PolarHBondContact O-N 3.24Å; E48-C50 VanDerWaalsContact O-N 3.17Å; C50-Q52 PolarHBondContact O-N 2.79Å
51	P	22.9	Very low	33.7	Very low	120 Å²	120	141.7 Å²	141.7	78%	0.779	72%	0.717	S	S	*	*			trans	-65	113.1	173	27.2	-32	0	0	0	108.6	Y53	P51-Y53 PolarHBondContact O-N 3.08Å
52	Q	23.5	Very low	36.6	Very low	180 Å²	180	137.1 Å²	137.1	84%	0.841	69%	0.691	S	S	*	*			trans	-63.6	107.8	168.1	-75	-174	-11.4	0	0	107.6	C50 T54	C50-Q52 PolarHBondContact O-N 2.79Å; Q52-T54 PolarHBondContact O-N 3.14Å
53	Y	22.5	Very low	40	Very low	215 Å²	215	129.9 Å²	129.9	84%	0.843	65%	0.652	S	S	*	*			trans	-69.3	83.2	176.2	-144.5	-86.5	0	0	0	108.2	P51 P55	P51-Y53 PolarHBondContact O-N 3.08Å; Y53-P55 VanDerWaalsContact O-CD 3.3Å; Y53-P55 WeakPolarHBondContact O-CD 3.08Å; Y53-P55 VanDerWaalsContact O-N 3.17Å
54	T	23.2	Very low	43	Very low	107 Å²	107	122 Å²	122	66%	0.656	63%	0.63	S	S	*	*			trans	-59	116.1	166.2	44.1	0	0	0	0	106.9	Q52 Q56	Q52-T54 PolarHBondContact O-N 3.14Å; T54-Q56 PolarHBondContact O-N 3.17Å
55	P	31.3	Very low	46	Very low	102 Å²	102	117.6 Å²	117.6	66%	0.662	61%	0.608	S	S	*	*			trans	-63.6	111.9	-179.8	25.6	-32.3	0	0	0	107.9	Y53 N57	Y53-P55 VanDerWaalsContact O-CD 3.3Å; Y53-P55 WeakPolarHBondContact O-CD 3.08Å; Y53-P55 VanDerWaalsContact O-N 3.17Å; P55-N57 PolarHBondContact O-N 3.36Å
56	Q	32	Very low	49.2	Very low	175 Å²	175	113.8 Å²	113.8	82%	0.818	58%	0.58	S	S	*	*			trans	-53.6	132.7	172.2	-68.9	179.5	-18.5	0	0	108.2	T54 V58	T54-Q56 PolarHBondContact O-N 3.17Å; Q56-V58 PolarHBondContact O-N 2.97Å
57	N	37	Very low	52.3	Low	162 Å²	162	109.7 Å²	109.7	87%	0.866	56%	0.556	S	S	*	*			trans	-28.9	90.6	-172.3	-74.9	-27.5	0	0	0	114.2	P55 R59	P55-N57 PolarHBondContact O-N 3.36Å; N57-R59 PolarHBondContact O-N 3.43Å
58	V	50.3	Low	55.5	Low	72 Å²	72	99.6 Å²	99.6	44%	0.436	51%	0.512	S	S	.	.			trans	-68.5	106.3	176.3	178.6	0	0	0	0	106.9	Q56 Y60 T639	Q56-V58 PolarHBondContact O-N 2.97Å; V58-Y60 HydrophobicContact CB-CD2 4.44Å; V58-Y60 HydrophobicContact CB-CE2 3.94Å; V58-Y60 HydrophobicContact CG1-CD2 4.13Å; V58-Y60 HydrophobicContact CG1-CE1 4.49Å; V58-Y60 HydrophobicContact CG1-CE2 3.68Å; V58-Y60 WeakPolarHBondContact O-CD2 3.36Å; V58-Y60 PolarHBondContact O-N 2.84Å; V58-T639 HydrophobicContact CG1-CG2 3.47Å; V58-T639 VanDerWaalsContact CG1-CG2 3.47Å
59	R	61.7	Low	58.7	Low	98 Å²	98	93.8 Å²	93.8	37%	0.37	48%	0.483	S	S	.	.			trans	-72.9	112.8	179.8	-128.7	176.9	178.9	171.2	-3.8	108.2	R17 N57	R17-R59 PolarHBondContact O-NH2 3.15Å; N57-R59 PolarHBondContact O-N 3.43Å
60	Y	74.6	Confident	62	Low	115 Å²	115	86.8 Å²	86.8	45%	0.451	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135	173.3	-71.5	-88.6	0	0	0	109.2	V58 R637 L638 T639	V58-Y60 HydrophobicContact CB-CD2 4.44Å; V58-Y60 HydrophobicContact CB-CE2 3.94Å; V58-Y60 HydrophobicContact CG1-CD2 4.13Å; V58-Y60 HydrophobicContact CG1-CE1 4.49Å; V58-Y60 HydrophobicContact CG1-CE2 3.68Å; V58-Y60 WeakPolarHBondContact O-CD2 3.36Å; V58-Y60 PolarHBondContact O-N 2.84Å; Y60-R637 HydrophobicContact CD1-CG 3.61Å; Y60-R637 HydrophobicContact CE1-CG 4.45Å; Y60-R637 HydrophobicContact CG-CG 4.12Å; Y60-L638 CarbonylContact C-O 3.49Å; Y60-L638 WeakPolarHBondContact CA-O 3.18Å; Y60-T639 HydrophobicContact CD1-CG2 3.28Å; Y60-T639 HydrophobicContact CD2-CG2 4.46Å; Y60-T639 HydrophobicContact CE1-CG2 3.24Å; Y60-T639 HydrophobicContact CE2-CG2 4.43Å; Y60-T639 HydrophobicContact CG-CG2 3.94Å
61	Q	86.3	Confident	65.6	Low	19 Å²	19	81.2 Å²	81.2	9%	0.089	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149	173.1	-59.9	-170.5	55.7	0	0	109.2	Y63 L638 D640	Q61-Y63 HydrophobicContact CB-CD2 4.32Å; Q61-Y63 HydrophobicContact CB-CE2 3.58Å; Q61-L638 PolarHBondContact N-O 2.99Å; Q61-L638 PolarHBondContact O-N 3Å; Q61-D640 PolarHBondContact NE2-OD1 2.87Å
62	H	88.9	Confident	69	Low	71 Å²	71	75.7 Å²	75.7	33%	0.329	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	113	177.7	-64.5	100.3	0	0	0	109.1	Y630 Y635 T636	H62-Y630 HydrophobicContact CB-CD1 3.39Å; H62-Y630 HydrophobicContact CB-CD2 4.34Å; H62-Y630 HydrophobicContact CB-CE1 3.86Å; H62-Y630 HydrophobicContact CB-CG 3.66Å; H62-Y630 AromaticContact CE1-CD2 3.88Å; H62-Y630 AromaticContact CG-CD1 3.81Å; H62-Y630 AromaticContact CG-CD2 3.86Å; H62-Y630 AromaticContact CG-CG 3.51Å; H62-Y630 AromaticContact ND1-CD2 3.46Å; H62-Y630 WeakPolarHBondContact ND1-CD2 3.45Å; H62-Y630 AromaticContact ND1-CE2 3.8Å; H62-Y630 AromaticContact ND1-CG 3.63Å; H62-Y635 HydrophobicContact CB-CD1 4.41Å; H62-T636 WeakPolarHBondContact CA-O 3.22Å
63	Y	91	Very high	72.3	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.02	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.6	178.7	-64.1	-86	0	0	0	109.7	Q61 C597 Y602 Y635 T636 L638 L643	Q61-Y63 HydrophobicContact CB-CD2 4.32Å; Q61-Y63 HydrophobicContact CB-CE2 3.58Å; Y63-C597 PolarHBondContact OH-SG 2.9Å; Y63-Y602 AromaticContact CD1-CD1 3.44Å; Y63-Y602 HydrophobicContact CD1-CD1 3.44Å; Y63-Y602 VanDerWaalsContact CD1-CD1 3.44Å; Y63-Y602 AromaticContact CD1-CD2 3.58Å; Y63-Y602 HydrophobicContact CD1-CD2 3.58Å; Y63-Y602 AromaticContact CD1-CE1 3.89Å; Y63-Y602 HydrophobicContact CD1-CE1 3.89Å; Y63-Y602 HydrophobicContact CD1-CE2 4.04Å; Y63-Y602 AromaticContact CD1-CG 3.28Å; Y63-Y602 HydrophobicContact CD1-CG 3.28Å; Y63-Y602 AromaticContact CE1-CD1 3.58Å; Y63-Y602 HydrophobicContact CE1-CD1 3.58Å; Y63-Y602 HydrophobicContact CE1-CE1 4.11Å; Y63-Y602 AromaticContact CE1-CG 3.83Å; Y63-Y602 HydrophobicContact CE1-CG 3.83Å; Y63-Y602 HydrophobicContact CG-CD1 4.38Å; Y63-Y602 AromaticContact CG-CD2 3.92Å; Y63-Y602 HydrophobicContact CG-CD2 3.92Å; Y63-Y602 AromaticContact CG-CG 3.8Å; Y63-Y602 HydrophobicContact CG-CG 3.8Å; Y63-Y635 CarbonylContact O-C 3.58Å; Y63-Y635 WeakPolarHBondContact O-CA 3.35Å; Y63-T636 PolarHBondContact N-O 2.89Å; Y63-T636 PolarHBondContact O-N 2.94Å; Y63-L638 HydrophobicContact CD2-CB 3.84Å; Y63-L638 HydrophobicContact CD2-CD1 4.01Å; Y63-L638 HydrophobicContact CD2-CG 4.19Å; Y63-L638 HydrophobicContact CE2-CB 3.9Å; Y63-L643 HydrophobicContact CE1-CD1 4.43Å; Y63-L643 HydrophobicContact CE2-CD1 3.99Å; Y63-L643 WeakPolarHBondContact OH-CD1 3.27Å
64	P	90.1	Very high	75.6	Confident	58 Å²	58	66 Å²	66	38%	0.377	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142.5	177.1	27.4	-34.5	0	0	0	111	Y602 L634	P64-Y602 HydrophobicContact CG-CE2 4.2Å; P64-L634 CarbonylContact C-O 3.5Å; P64-L634 WeakPolarHBondContact CA-O 3.04Å
65	V	90.1	Very high	78.9	Confident	43 Å²	43	61.7 Å²	61.7	26%	0.261	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61.7	130.3	171.1	167.8	0	0	0	0	108.5	L634	V65-L634 PolarHBondContact N-O 2.76Å
66	P	88.1	Confident	81.9	Confident	33 Å²	33	56.8 Å²	56.8	21%	0.214	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-66	142.2	-172.1	26.9	-38.5	0	0	0	113.5	L436 E603	P66-L436 HydrophobicContact CB-CD1 3.97Å; P66-L436 HydrophobicContact CB-CD2 4.11Å; P66-L436 HydrophobicContact CG-CD1 3.63Å; P66-E603 HydrophobicContact CB-CB 3.96Å; P66-E603 WeakPolarHBondContact CB-O 3.45Å; P66-E603 WeakPolarHBondContact CG-O 3.41Å
67	K	89.4	Confident	85	Confident	70 Å²	70	51.5 Å²	51.5	30%	0.304	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-99.1	117.1	170.3	-66.2	-166.1	176.3	-160.9	0	110.2	R69 E224 K225 A226 N227	K67-R69 PolarHBondContact O-N 3.06Å; K67-R69 VanDerWaalsContact O-N 3.14Å; K67-E224 PolarHBondContact NZ-O 2.89Å; K67-K225 WeakPolarHBondContact CE-O 3.2Å; K67-K225 PolarHBondContact NZ-O 2.98Å; K67-A226 WeakPolarHBondContact CE-O 3.16Å; K67-A226 PolarHBondContact NZ-O 3.28Å; K67-N227 VanDerWaalsContact CE-OD1 3.3Å; K67-N227 WeakPolarHBondContact CE-OD1 3.31Å
68	V	93.1	Very high	87.7	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	23%	0.234	C	C	.	.			trans	-70.1	111.1	172.6	-167.4	0	0	0	0	108.2	C70 L71 S72 L435 L436	V68-C70 PolarHBondContact O-N 2.86Å; V68-C70 VanDerWaalsContact O-N 3.11Å; V68-L71 HydrophobicContact CB-CB 4.11Å; V68-L71 HydrophobicContact CB-CD1 3.85Å; V68-L71 HydrophobicContact CB-CG 3.84Å; V68-L71 HydrophobicContact CG1-CD1 4.21Å; V68-L71 HydrophobicContact CG1-CG 3.97Å; V68-L71 HydrophobicContact CG2-CD1 3.99Å; V68-L71 WeakPolarHBondContact O-CA 3.31Å; V68-L71 PolarHBondContact O-N 3.02Å; V68-S72 PolarHBondContact O-N 3.32Å; V68-S72 PolarHBondContact O-OG 2.99Å; V68-L435 HydrophobicContact CG1-CB 3.58Å; V68-L435 HydrophobicContact CG1-CD1 4.38Å; V68-L436 HydrophobicContact CG2-CD1 4.34Å; V68-L436 HydrophobicContact CG2-CD2 4.13Å; V68-L436 HydrophobicContact CG2-CG 3.85Å
69	R	91.9	Very high	89.8	Confident	46 Å²	46	43.1 Å²	43.1	17%	0.174	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-32.4	-170.4	-65.5	-175.2	-163	121.1	2.4	113.2	K67 L71 Y75 E443 N460 I464	K67-R69 PolarHBondContact O-N 3.06Å; K67-R69 VanDerWaalsContact O-N 3.14Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 3.16Å; R69-Y75 WeakPolarHBondContact O-CB 3.34Å; R69-E443 IonicContact CZ-OE1 2.95Å; R69-E443 IonicContact NH1-OE1 3.93Å; R69-E443 PolarHBondContact NH1-OE1 3.02Å; R69-E443 IonicContact NH2-OE1 3.74Å; R69-E443 PolarHBondContact NH2-OE1 2.99Å; R69-N460 PolarHBondContact NH2-OD1 3.35Å; R69-I464 HydrophobicContact CB-CD1 3.42Å; R69-I464 VanDerWaalsContact CB-CD1 3.42Å; R69-I464 HydrophobicContact CB-CG1 4.32Å; R69-I464 HydrophobicContact CG-CD1 4.35Å
70	C	93.5	Very high	91.3	Very high	12 Å²	12	41.1 Å²	41.1	8%	0.081	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.3	176.5	69.9	0	0	0	0	114.7	V68 Y75 Q76 I124 L469	V68-C70 PolarHBondContact O-N 2.86Å; V68-C70 VanDerWaalsContact O-N 3.11Å; C70-Y75 HydrophobicContact CB-CD1 4.25Å; C70-Y75 HydrophobicContact CB-CE1 4.2Å; C70-Y75 WeakPolarHBondContact O-CD1 3.36Å; C70-Q76 WeakPolarHBondContact O-CG 3.27Å; C70-Q76 PolarHBondContact O-NE2 3.17Å; C70-I124 PolarHBondContact SG-O 3.28Å; C70-L469 HydrophobicContact CB-CD2 3.71Å
71	L	95.6	Very high	92.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-12.3	175.3	-56.4	-175.1	0	0	0	113.2	V68 R69 F120 I124 I228 L229 M431 L435	V68-L71 HydrophobicContact CB-CB 4.11Å; V68-L71 HydrophobicContact CB-CD1 3.85Å; V68-L71 HydrophobicContact CB-CG 3.84Å; V68-L71 HydrophobicContact CG1-CD1 4.21Å; V68-L71 HydrophobicContact CG1-CG 3.97Å; V68-L71 HydrophobicContact CG2-CD1 3.99Å; V68-L71 WeakPolarHBondContact O-CA 3.31Å; V68-L71 PolarHBondContact O-N 3.02Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 3.16Å; L71-F120 HydrophobicContact CD2-CE1 3.76Å; L71-F120 HydrophobicContact CD2-CZ 3.88Å; L71-I124 HydrophobicContact CD2-CB 3.94Å; L71-I124 HydrophobicContact CD2-CD1 4.21Å; L71-I124 HydrophobicContact CD2-CG2 3.65Å; L71-I228 HydrophobicContact CB-CG2 4.48Å; L71-I228 HydrophobicContact CD1-CD1 4.38Å; L71-I228 HydrophobicContact CD1-CG1 4.2Å; L71-L229 PolarHBondContact O-N 3.12Å; L71-M431 HydrophobicContact CD1-CE 3.85Å; L71-M431 HydrophobicContact CD2-CE 4.04Å; L71-L435 HydrophobicContact CD1-CD1 4.03Å; L71-L435 HydrophobicContact CD2-CD1 3.8Å; L71-L435 HydrophobicContact CG-CD1 4.01Å
72	S	94.5	Very high	92.4	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.028	24%	0.239	C	C	.	.	S	Bend	trans	-122.3	169.6	-169.6	68.2	0	0	0	0	113.6	V68 Y75 Q76	V68-S72 PolarHBondContact O-N 3.32Å; V68-S72 PolarHBondContact O-OG 2.99Å; S72-Y75 PolarHBondContact O-N 3.2Å; S72-Q76 PolarHBondContact O-N 2.91Å
73	F	92.6	Very high	92.7	Very high	94 Å²	94	39.7 Å²	39.7	41%	0.412	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	145.4	167.3	-175.1	-94.8	0	0	0	110.8	Q76 E224 L229	F73-Q76 WeakPolarHBondContact CA-O 3.5Å; F73-E224 HydrophobicContact CD1-CG 4.48Å; F73-E224 HydrophobicContact CD2-CG 4.41Å; F73-E224 HydrophobicContact CG-CG 4.4Å; F73-L229 HydrophobicContact CB-CD1 4.08Å
74	P	92.1	Very high	92.9	Very high	97 Å²	97	41.2 Å²	41.2	63%	0.63	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-88.9	1.1	0.5	36.6	-36.8	0	0	0	115
75	Y	93.3	Very high	93.2	Very high	16 Å²	16	38.5 Å²	38.5	6%	0.063	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-52.5	179.5	174.8	-100.7	0	0	0	111	R69 C70 S72 K122 P123 I464 N466 L469	R69-Y75 WeakPolarHBondContact O-CB 3.34Å; C70-Y75 HydrophobicContact CB-CD1 4.25Å; C70-Y75 HydrophobicContact CB-CE1 4.2Å; C70-Y75 WeakPolarHBondContact O-CD1 3.36Å; S72-Y75 PolarHBondContact O-N 3.2Å; Y75-K122 HydrophobicContact CD2-CD 4.18Å; Y75-K122 HydrophobicContact CE1-CB 3.81Å; Y75-K122 HydrophobicContact CE1-CD 4.38Å; Y75-K122 HydrophobicContact CE2-CB 4.45Å; Y75-K122 HydrophobicContact CE2-CD 3.81Å; Y75-K122 VanDerWaalsContact O-CD 3.28Å; Y75-K122 WeakPolarHBondContact O-CD 3.48Å; Y75-K122 VanDerWaalsContact O-CE 3.28Å; Y75-K122 WeakPolarHBondContact O-CE 3.25Å; Y75-K122 PolarHBondContact O-NZ 3.13Å; Y75-P123 WeakPolarHBondContact CE1-O 3.5Å; Y75-P123 PolarHBondContact OH-O 3.43Å; Y75-I464 HydrophobicContact CD2-CB 4.36Å; Y75-I464 HydrophobicContact CD2-CG2 3.57Å; Y75-I464 HydrophobicContact CE2-CG2 3.85Å; Y75-I464 HydrophobicContact CG-CG2 3.98Å; Y75-N466 PolarHBondContact OH-OD1 3.05Å; Y75-L469 HydrophobicContact CE1-CD2 4.46Å; Y75-L469 WeakPolarHBondContact OH-CD1 3.18Å
76	Q	94.9	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-80.6	146.1	168.2	-64.3	-64.5	-16.2	0	0	110.5	C70 S72 F73 F120 S121 K122 L229	C70-Q76 WeakPolarHBondContact O-CG 3.27Å; C70-Q76 PolarHBondContact O-NE2 3.17Å; S72-Q76 PolarHBondContact O-N 2.91Å; F73-Q76 WeakPolarHBondContact CA-O 3.5Å; Q76-F120 HydrophobicContact CG-CD1 4.17Å; Q76-S121 VanDerWaalsContact OE1-N 3.1Å; Q76-S121 PolarHBondContact OE1-OG 2.8Å; Q76-K122 PolarHBondContact NE2-O 2.77Å; Q76-L229 HydrophobicContact CB-CB 4.04Å; Q76-L229 HydrophobicContact CB-CD1 4.49Å
77	T	95.3	Very high	94.1	Very high	63 Å²	63	36.8 Å²	36.8	39%	0.387	22%	0.221	S	C	.	.			trans	-122.8	170.6	163.8	62.7	0	0	0	0	108.7	S121 L229	T77-S121 PolarHBondContact N-OG 2.93Å; T77-S121 VanDerWaalsContact O-CB 3.26Å; T77-S121 WeakPolarHBondContact O-CB 3.4Å; T77-S121 PolarHBondContact O-OG 3.22Å; T77-L229 WeakPolarHBondContact O-CD2 3.28Å
78	L	94.8	Very high	94.5	Very high	52 Å²	52	33.5 Å²	33.5	27%	0.272	21%	0.207	S	C	.	.			trans	-58.5	142.3	166	-77	172.8	0	0	0	109.4	S80 F221 P223 L229 L231	L78-S80 PolarHBondContact O-N 2.89Å; L78-F221 HydrophobicContact CD1-CE1 4.21Å; L78-F221 HydrophobicContact CD1-CZ 4.24Å; L78-F221 HydrophobicContact CD2-CZ 4.13Å; L78-P223 HydrophobicContact CD1-CB 4.47Å; L78-P223 HydrophobicContact CD1-CG 3.77Å; L78-P223 HydrophobicContact CD2-CG 4.33Å; L78-P223 HydrophobicContact CG-CB 4.27Å; L78-P223 HydrophobicContact CG-CG 4.03Å; L78-L229 HydrophobicContact CD2-CD2 3.96Å; L78-L229 HydrophobicContact CG-CD2 4.16Å; L78-L231 HydrophobicContact CD2-CD2 4.14Å
79	P	94.2	Very high	94.7	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.039	21%	0.208	C	C	.	.			trans	-54.1	134.7	169.1	-26.7	36.7	0	0	0	110.6	V85 L159 L231	P79-V85 HydrophobicContact CB-CG2 4.05Å; P79-L159 HydrophobicContact CB-CD1 4.09Å; P79-L159 WeakPolarHBondContact O-CD2 3.39Å; P79-L231 HydrophobicContact CB-CD1 4.35Å; P79-L231 HydrophobicContact CG-CD1 3.87Å; P79-L231 HydrophobicContact CG-CG 4.08Å
80	S	93.3	Very high	94.9	Very high	56 Å²	56	31.8 Å²	31.8	39%	0.392	20%	0.201	S	C	.	.			trans	-117.4	149.8	-179.5	53.6	0	0	0	0	111.6	L78 G82 S83	L78-S80 PolarHBondContact O-N 2.89Å; S80-G82 PolarHBondContact O-N 3.18Å; S80-S83 WeakPolarHBondContact O-CB 3.32Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 WeakPolarHBondContact OG-CB 3.45Å; S80-S83 PolarHBondContact OG-OG 3.18Å
81	C	92.6	Very high	94.8	Very high	70 Å²	70	32.7 Å²	32.7	47%	0.473	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	131.6	-178.7	177.4	0	0	0	0	111.3	S83 E156 L159	C81-S83 PolarHBondContact O-N 3Å; C81-E156 HydrophobicContact CB-CB 4.5Å; C81-E156 PolarHBondContact SG-N 3.1Å; C81-L159 HydrophobicContact CB-CD2 4.45Å
82	G	90.8	Very high	94.6	Very high	53 Å²	53	34.1 Å²	34.1	55%	0.546	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-11.7	-178.7	0	0	0	0	0	115.6	S80 T153 L154	S80-G82 PolarHBondContact O-N 3.18Å; G82-T153 WeakPolarHBondContact O-CG2 3.37Å; G82-L154 PolarHBondContact N-O 2.97Å
83	S	94.9	Very high	94.4	Very high	52 Å²	52	34.5 Å²	34.5	36%	0.364	22%	0.218	S	C	.	.	S	Bend	trans	-75.8	155.6	172.4	-65.2	0	0	0	0	111.5	S80 C81 V85	S80-S83 WeakPolarHBondContact O-CB 3.32Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 WeakPolarHBondContact OG-CB 3.45Å; S80-S83 PolarHBondContact OG-OG 3.18Å; C81-S83 PolarHBondContact O-N 3Å; S83-V85 PolarHBondContact O-N 3.12Å
84	A	96	Very high	94.2	Very high	37 Å²	37	38.2 Å²	38.2	31%	0.306	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132	172.5	0	0	0	0	0	111	Y86	A84-Y86 HydrophobicContact CB-CE2 4.28Å
85	V	97.2	Very high	94.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.1	176.1	-173.3	0	0	0	0	108.4	P79 S83 L119 K151 F152 L154	P79-V85 HydrophobicContact CB-CG2 4.05Å; S83-V85 PolarHBondContact O-N 3.12Å; V85-L119 HydrophobicContact CG1-CB 3.69Å; V85-L119 HydrophobicContact CG1-CD1 4.33Å; V85-L119 HydrophobicContact CG1-CD2 3.97Å; V85-L119 HydrophobicContact CG1-CG 4.21Å; V85-K151 WeakPolarHBondContact O-CA 3.35Å; V85-F152 PolarHBondContact N-O 3.07Å; V85-F152 PolarHBondContact O-N 3.44Å; V85-F152 VanDerWaalsContact O-N 3.13Å; V85-L154 HydrophobicContact CG2-CD1 4.33Å; V85-L154 HydrophobicContact CG2-CG 4.36Å
86	Y	97.6	Very high	94.1	Very high	40 Å²	40	37.4 Å²	37.4	16%	0.157	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.5	-177.3	-66.4	-100.9	0	0	0	109	A84 F120 P123 L148 K151	A84-Y86 HydrophobicContact CB-CE2 4.28Å; Y86-F120 PolarHBondContact N-O 3.05Å; Y86-F120 PolarHBondContact O-N 3.37Å; Y86-P123 HydrophobicContact CD1-CB 4.14Å; Y86-P123 HydrophobicContact CE1-CB 4.18Å; Y86-P123 HydrophobicContact CE1-CG 4.24Å; Y86-L148 HydrophobicContact CD1-CD1 4.01Å; Y86-K151 HydrophobicContact CD1-CG 4.41Å; Y86-K151 HydrophobicContact CE1-CD 3.97Å; Y86-K151 HydrophobicContact CE1-CG 4.25Å
87	L	98.1	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.1	178.8	171	62	0	0	0	110.3	T89 L119 T149 G150 F152 I235 Y240	L87-T89 HydrophobicContact CD1-CG2 3.98Å; L87-T89 HydrophobicContact CD2-CG2 4.48Å; L87-T89 HydrophobicContact CG-CG2 4.23Å; L87-L119 HydrophobicContact CB-CD2 3.99Å; L87-L119 HydrophobicContact CD1-CD2 3.74Å; L87-L119 HydrophobicContact CG-CD2 4.43Å; L87-T149 PolarHBondContact O-N 3.19Å; L87-G150 PolarHBondContact N-O 2.97Å; L87-G150 PolarHBondContact O-N 3.13Å; L87-F152 HydrophobicContact CB-CE1 3.77Å; L87-F152 HydrophobicContact CB-CZ 4.12Å; L87-F152 HydrophobicContact CD2-CE1 3.95Å; L87-F152 HydrophobicContact CD2-CZ 4.44Å; L87-F152 HydrophobicContact CG-CE1 4.47Å; L87-I235 HydrophobicContact CD1-CD1 3.73Å; L87-I235 HydrophobicContact CD1-CG1 3.89Å; L87-I235 HydrophobicContact CD2-CD1 3.83Å; L87-I235 HydrophobicContact CD2-CG1 4.24Å; L87-I235 HydrophobicContact CD2-CG2 4.18Å; L87-I235 HydrophobicContact CG-CD1 4.46Å; L87-Y240 VanDerWaalsContact CD2-O 3.23Å; L87-Y240 WeakPolarHBondContact CD2-O 3.31Å
88	Y	98.1	Very high	93.8	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.1	167.7	-68.9	-98.8	0	0	0	110.1	G117 L118 F120 P123 I124 V130 R147 L148	Y88-G117 WeakPolarHBondContact O-CA 3.46Å; Y88-L118 PolarHBondContact N-O 2.55Å; Y88-L118 PolarHBondContact O-N 3.41Å; Y88-F120 AromaticContact CD2-CD2 3.7Å; Y88-F120 HydrophobicContact CD2-CD2 3.7Å; Y88-F120 HydrophobicContact CD2-CE2 4.22Å; Y88-F120 HydrophobicContact CE2-CD2 4.21Å; Y88-P123 WeakPolarHBondContact OH-CA 3.16Å; Y88-I124 HydrophobicContact CD1-CD1 3.98Å; Y88-I124 HydrophobicContact CD1-CG1 4.31Å; Y88-I124 HydrophobicContact CE1-CD1 3.94Å; Y88-I124 HydrophobicContact CE1-CG1 3.74Å; Y88-I124 HydrophobicContact CE2-CD1 4.44Å; Y88-I124 HydrophobicContact CE2-CG1 4.2Å; Y88-I124 HydrophobicContact CE2-CG2 4.36Å; Y88-I124 HydrophobicContact CG-CD1 4.28Å; Y88-I124 PolarHBondContact OH-N 2.9Å; Y88-I124 VanDerWaalsContact OH-N 3.09Å; Y88-V130 HydrophobicContact CD1-CG2 4.01Å; Y88-V130 HydrophobicContact CE1-CG2 3.61Å; Y88-R147 VanDerWaalsContact CA-O 3.25Å; Y88-R147 WeakPolarHBondContact CA-O 3.26Å; Y88-L148 HydrophobicContact CD1-CB 4.05Å; Y88-L148 HydrophobicContact CD2-CD1 4.09Å; Y88-L148 HydrophobicContact CE1-CB 3.59Å; Y88-L148 HydrophobicContact CE1-CD1 4.13Å; Y88-L148 HydrophobicContact CE1-CG 4.44Å; Y88-L148 HydrophobicContact CE2-CD1 3.63Å
89	T	97.1	Very high	93.7	Very high	5 Å²	5	33 Å²	33	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	179.9	169.1	60.9	0	0	0	0	108.8	L87 T115 R147 T149 I235 Y240	L87-T89 HydrophobicContact CD1-CG2 3.98Å; L87-T89 HydrophobicContact CD2-CG2 4.48Å; L87-T89 HydrophobicContact CG-CG2 4.23Å; T89-T115 HydrophobicContact CG2-CG2 4.28Å; T89-R147 PolarHBondContact N-O 2.94Å; T89-R147 PolarHBondContact O-N 2.89Å; T89-T149 VanDerWaalsContact OG1-CG2 3.22Å; T89-T149 WeakPolarHBondContact OG1-CG2 3.06Å; T89-T149 PolarHBondContact OG1-OG1 3.28Å; T89-T149 VanDerWaalsContact OG1-OG1 3.11Å; T89-I235 HydrophobicContact CG2-CG1 4.42Å; T89-I235 HydrophobicContact CG2-CG2 4.49Å; T89-Y240 HydrophobicContact CG2-CD1 4.3Å
90	W	95.8	Very high	93.6	Very high	8 Å²	8	36.4 Å²	36.4	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.2	174.2	48.7	82.2	0	0	0	111.1	V116 L118 S144 R145 V146 V424 I427	W90-V116 HydrophobicContact CH2-CB 4Å; W90-V116 HydrophobicContact CH2-CG1 3.7Å; W90-V116 HydrophobicContact CZ2-CB 3.78Å; W90-V116 HydrophobicContact CZ2-CG1 4Å; W90-L118 HydrophobicContact CZ3-CD1 3.93Å; W90-L118 HydrophobicContact CZ3-CG 3.96Å; W90-S144 WeakPolarHBondContact CB-OG 3.14Å; W90-R145 VanDerWaalsContact CA-O 3.26Å; W90-R145 WeakPolarHBondContact CA-O 3.32Å; W90-V146 HydrophobicContact CB-CG2 4.34Å; W90-V424 HydrophobicContact CH2-CG2 3.98Å; W90-V424 HydrophobicContact CZ2-CG2 4.11Å; W90-I427 HydrophobicContact CD2-CD1 3.58Å; W90-I427 HydrophobicContact CD2-CG2 4.09Å; W90-I427 HydrophobicContact CE3-CD1 4.28Å; W90-I427 HydrophobicContact CE3-CG2 3.75Å; W90-I427 HydrophobicContact CG-CD1 3.74Å; W90-I427 HydrophobicContact CZ2-CD1 3.9Å; W90-I427 HydrophobicContact CZ3-CG2 4.04Å
91	S	91.9	Very high	93.4	Very high	31 Å²	31	33.8 Å²	33.8	22%	0.217	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	149.4	168.4	72.9	0	0	0	0	110.3	S144 R145 D508	S91-S144 VanDerWaalsContact O-CA 3.29Å; S91-S144 WeakPolarHBondContact O-CA 3.29Å; S91-S144 PolarHBondContact O-OG 3.45Å; S91-R145 PolarHBondContact N-O 3.26Å; S91-R145 PolarHBondContact O-N 2.9Å; S91-R145 WeakPolarHBondContact OG-CB 3.22Å; S91-D508 PolarHBondContact OG-OD2 2.87Å
92	L	91.8	Very high	93.3	Very high	30 Å²	30	30.5 Å²	30.5	16%	0.157	17%	0.172	C	C	.	.			trans	-125.2	157.6	167.6	-66	173.7	0	0	0	107.8	M98 L135 W416 F419 L423	L92-M98 HydrophobicContact CD2-CE 4.27Å; L92-L135 HydrophobicContact CD2-CD1 3.63Å; L92-W416 HydrophobicContact CD1-CH2 4.01Å; L92-F419 HydrophobicContact CD1-CE1 4.33Å; L92-L423 HydrophobicContact CD1-CD1 4.26Å; L92-L423 HydrophobicContact CD2-CD1 4.24Å
93	P	89.3	Confident	93.3	Very high	13 Å²	13	28.6 Å²	28.6	8%	0.084	15%	0.151	C	C	.	.			trans	-51.3	162	162	-25.1	33.4	0	0	0	112.3	I97 M98 A142 V500	P93-I97 HydrophobicContact CB-CB 4.21Å; P93-I97 HydrophobicContact CB-CD1 4.33Å; P93-I97 HydrophobicContact CB-CG2 4.06Å; P93-M98 HydrophobicContact CB-CG 4.25Å; P93-M98 HydrophobicContact CB-SD 3.84Å; P93-M98 HydrophobicContact CG-SD 3.79Å; P93-M98 WeakPolarHBondContact O-CG 3.48Å; P93-A142 HydrophobicContact CG-CB 4.02Å; P93-V500 HydrophobicContact CG-CG1 3.98Å
94	R	89.6	Confident	93.1	Very high	171 Å²	171	26.6 Å²	26.6	65%	0.645	14%	0.136	S	C	*	.			trans	-51.2	148.4	176.7	-67.6	165.9	43.7	123.8	-7.5	111.7	D96 I97 M98	R94-D96 VanDerWaalsContact C-N 3.28Å; R94-D96 WeakPolarHBondContact CB-OD1 3.28Å; R94-D96 IonicContact CZ-OD1 3.92Å; R94-D96 IonicContact CZ-OD2 2.66Å; R94-D96 IonicContact NE-OD1 3.86Å; R94-D96 PolarHBondContact NE-OD1 2.86Å; R94-D96 IonicContact NE-OD2 3.68Å; R94-D96 PolarHBondContact NE-OD2 2.98Å; R94-D96 IonicContact NH2-OD1 2.65Å; R94-D96 IonicContact NH2-OD2 3.2Å; R94-D96 PolarHBondContact NH2-OD2 2.65Å; R94-D96 PolarHBondContact O-N 3.22Å; R94-I97 HydrophobicContact CB-CD1 4.07Å; R94-I97 HydrophobicContact CB-CG1 4.35Å; R94-I97 WeakPolarHBondContact O-CB 3.18Å; R94-I97 PolarHBondContact O-N 3.1Å; R94-I97 VanDerWaalsContact O-N 3.09Å; R94-M98 WeakPolarHBondContact O-CG 3.35Å; R94-M98 PolarHBondContact O-N 3.23Å
95	S	91.8	Very high	93	Very high	38 Å²	38	26.5 Å²	26.5	27%	0.266	14%	0.135	S	C	.	.	H	α-helix	trans	-60.1	-33.6	-174.5	52.7	0	0	0	0	114	M98 T99	S95-M98 PolarHBondContact O-N 3.16Å; S95-T99 WeakPolarHBondContact O-CG2 3.03Å; S95-T99 PolarHBondContact O-N 2.81Å; S95-T99 PolarHBondContact O-OG1 3.23Å
96	D	90.7	Very high	92.7	Very high	59 Å²	59	29.7 Å²	29.7	32%	0.316	16%	0.161	S	C	.	.	H	α-helix	trans	-60.5	-49.2	173.3	57.9	-23.4	0	0	0	111.8	R94 M98 T99 Q100	R94-D96 VanDerWaalsContact C-N 3.28Å; R94-D96 WeakPolarHBondContact CB-OD1 3.28Å; R94-D96 IonicContact CZ-OD1 3.92Å; R94-D96 IonicContact CZ-OD2 2.66Å; R94-D96 IonicContact NE-OD1 3.86Å; R94-D96 PolarHBondContact NE-OD1 2.86Å; R94-D96 IonicContact NE-OD2 3.68Å; R94-D96 PolarHBondContact NE-OD2 2.98Å; R94-D96 IonicContact NH2-OD1 2.65Å; R94-D96 IonicContact NH2-OD2 3.2Å; R94-D96 PolarHBondContact NH2-OD2 2.65Å; R94-D96 PolarHBondContact O-N 3.22Å; D96-M98 VanDerWaalsContact C-N 3.29Å; D96-M98 PolarHBondContact O-N 2.84Å; D96-T99 PolarHBondContact O-N 2.66Å; D96-T99 PolarHBondContact O-OG1 3.38Å; D96-Q100 PolarHBondContact O-N 2.96Å
97	I	91.6	Very high	92.5	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.097	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-43.1	173.7	-57.2	168.2	0	0	0	110.6	P93 R94 Q100 L101 V500 A503	P93-I97 HydrophobicContact CB-CB 4.21Å; P93-I97 HydrophobicContact CB-CD1 4.33Å; P93-I97 HydrophobicContact CB-CG2 4.06Å; R94-I97 HydrophobicContact CB-CD1 4.07Å; R94-I97 HydrophobicContact CB-CG1 4.35Å; R94-I97 WeakPolarHBondContact O-CB 3.18Å; R94-I97 PolarHBondContact O-N 3.1Å; R94-I97 VanDerWaalsContact O-N 3.09Å; I97-Q100 WeakPolarHBondContact O-CB 3.3Å; I97-Q100 PolarHBondContact O-N 3.33Å; I97-L101 PolarHBondContact O-N 3.33Å; I97-V500 HydrophobicContact CG2-CB 4.37Å; I97-V500 HydrophobicContact CG2-CG1 4.2Å; I97-V500 HydrophobicContact CG2-CG2 3.7Å; I97-A503 HydrophobicContact CD1-CB 3.63Å
98	M	93.3	Very high	92.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.6	-39.7	179.6	-63.3	-55.9	-69.2	0	0	112.3	L92 P93 R94 S95 D96 L101 C102 F109 L137 A142 F419	L92-M98 HydrophobicContact CD2-CE 4.27Å; P93-M98 HydrophobicContact CB-CG 4.25Å; P93-M98 HydrophobicContact CB-SD 3.84Å; P93-M98 HydrophobicContact CG-SD 3.79Å; P93-M98 WeakPolarHBondContact O-CG 3.48Å; R94-M98 WeakPolarHBondContact O-CG 3.35Å; R94-M98 PolarHBondContact O-N 3.23Å; S95-M98 PolarHBondContact O-N 3.16Å; D96-M98 VanDerWaalsContact C-N 3.29Å; D96-M98 PolarHBondContact O-N 2.84Å; M98-L101 PolarHBondContact O-N 3.28Å; M98-L101 HydrophobicContact SD-CD1 4.3Å; M98-C102 VanDerWaalsContact O-CB 3.3Å; M98-C102 WeakPolarHBondContact O-CB 3.39Å; M98-C102 PolarHBondContact O-N 3.34Å; M98-C102 PolarHBondContact O-SG 2.65Å; M98-F109 HydrophobicContact CB-CD2 4.13Å; M98-F109 HydrophobicContact CB-CE2 3.86Å; M98-L137 HydrophobicContact CE-CD1 3.73Å; M98-A142 HydrophobicContact CE-CB 4.16Å; M98-A142 HydrophobicContact SD-CB 3.97Å; M98-F419 HydrophobicContact CE-CE1 3.6Å; M98-F419 HydrophobicContact CE-CZ 3.56Å
99	T	92.8	Very high	92.2	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-41.6	172.6	59.8	0	0	0	0	111.7	S95 D96 L101 C102 S103 L104 A105 A106 F109	S95-T99 WeakPolarHBondContact O-CG2 3.03Å; S95-T99 PolarHBondContact O-N 2.81Å; S95-T99 PolarHBondContact O-OG1 3.23Å; D96-T99 PolarHBondContact O-N 2.66Å; D96-T99 PolarHBondContact O-OG1 3.38Å; T99-L101 PolarHBondContact O-N 3.32Å; T99-C102 CarbonylContact O-C 3.49Å; T99-C102 PolarHBondContact O-N 3.19Å; T99-C102 VanDerWaalsContact O-N 3.14Å; T99-S103 PolarHBondContact O-N 3.27Å; T99-L104 HydrophobicContact CG2-CB 4.33Å; T99-L104 PolarHBondContact O-N 2.97Å; T99-A105 WeakPolarHBondContact CG2-O 3.43Å; T99-A106 WeakPolarHBondContact OG1-CA 3.49Å; T99-F109 HydrophobicContact CG2-CB 3.67Å; T99-F109 HydrophobicContact CG2-CD1 4.21Å; T99-F109 HydrophobicContact CG2-CD2 3.31Å; T99-F109 HydrophobicContact CG2-CE2 3.95Å; T99-F109 HydrophobicContact CG2-CG 3.44Å; T99-F109 VanDerWaalsContact CG2-CG 3.44Å
100	Q	90.5	Very high	91.6	Very high	77 Å²	77	33.8 Å²	33.8	36%	0.36	19%	0.188	S	C	.	.	H	α-helix	trans	-58.5	-49.2	176.6	178.2	179.1	-17.6	0	0	111.2	D96 I97 C102 S103 R139 F496 E499	D96-Q100 PolarHBondContact O-N 2.96Å; I97-Q100 WeakPolarHBondContact O-CB 3.3Å; I97-Q100 PolarHBondContact O-N 3.33Å; Q100-C102 VanDerWaalsContact C-N 3.3Å; Q100-C102 PolarHBondContact O-N 2.89Å; Q100-S103 PolarHBondContact O-N 2.77Å; Q100-R139 VanDerWaalsContact O-CD 3.22Å; Q100-R139 WeakPolarHBondContact O-CD 3.4Å; Q100-F496 VanDerWaalsContact NE2-CE1 3.28Å; Q100-E499 PolarHBondContact NE2-OE2 3.47Å
101	L	90.2	Very high	90.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-36.4	174.8	-77.4	-179.9	0	0	0	113.1	I97 M98 T99 S103 L137 T138 R139 A142 F496 V500	I97-L101 PolarHBondContact O-N 3.33Å; M98-L101 PolarHBondContact O-N 3.28Å; M98-L101 HydrophobicContact SD-CD1 4.3Å; T99-L101 PolarHBondContact O-N 3.32Å; L101-S103 PolarHBondContact O-N 2.74Å; L101-L137 HydrophobicContact CB-CB 4.21Å; L101-L137 HydrophobicContact CB-CD1 3.83Å; L101-L137 HydrophobicContact CD1-CD1 4Å; L101-T138 PolarHBondContact O-N 3.02Å; L101-R139 PolarHBondContact O-N 2.86Å; L101-A142 HydrophobicContact CD1-CB 3.77Å; L101-F496 HydrophobicContact CD2-CB 4.17Å; L101-V500 HydrophobicContact CD1-CG1 4.35Å; L101-V500 HydrophobicContact CD1-CG2 3.67Å; L101-V500 HydrophobicContact CD2-CG2 3.87Å; L101-V500 HydrophobicContact CG-CG2 3.86Å
102	C	90.9	Very high	90.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	22%	0.219	C	C	.	.	H	α-helix	trans	-74.5	-10	178.7	-68.2	0	0	0	0	113.6	M98 T99 Q100 L104 H381 F419	M98-C102 VanDerWaalsContact O-CB 3.3Å; M98-C102 WeakPolarHBondContact O-CB 3.39Å; M98-C102 PolarHBondContact O-N 3.34Å; M98-C102 PolarHBondContact O-SG 2.65Å; T99-C102 CarbonylContact O-C 3.49Å; T99-C102 PolarHBondContact O-N 3.19Å; T99-C102 VanDerWaalsContact O-N 3.14Å; Q100-C102 VanDerWaalsContact C-N 3.3Å; Q100-C102 PolarHBondContact O-N 2.89Å; C102-L104 VanDerWaalsContact C-N 3.31Å; C102-L104 HydrophobicContact CB-CB 4.41Å; C102-L104 HydrophobicContact CB-CD1 3.79Å; C102-L104 HydrophobicContact CB-CG 3.75Å; C102-H381 WeakPolarHBondContact CA-NE2 2.82Å; C102-H381 PolarHBondContact O-NE2 3.22Å; C102-F419 WeakPolarHBondContact SG-CE2 3.4Å
103	S	89.5	Confident	90.7	Very high	13 Å²	13	40.5 Å²	40.5	9%	0.091	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	40.2	-166.5	-56	0	0	0	0	113.2	T99 Q100 L101 T138 R139	T99-S103 PolarHBondContact O-N 3.27Å; Q100-S103 PolarHBondContact O-N 2.77Å; L101-S103 PolarHBondContact O-N 2.74Å; S103-T138 WeakPolarHBondContact OG-CG2 3.43Å; S103-R139 WeakPolarHBondContact OG-CD 3.31Å; S103-R139 WeakPolarHBondContact OG-CG 3.45Å; S103-R139 PolarHBondContact OG-NE 3.12Å
104	L	91.9	Very high	91	Very high	9 Å²	9	40 Å²	40	5%	0.047	23%	0.225	C	C	.	.			trans	-108.4	167.1	173.8	-59.3	178.5	0	0	0	110.4	T99 C102 C108 F109 L376 I378	T99-L104 HydrophobicContact CG2-CB 4.33Å; T99-L104 PolarHBondContact O-N 2.97Å; C102-L104 VanDerWaalsContact C-N 3.31Å; C102-L104 HydrophobicContact CB-CB 4.41Å; C102-L104 HydrophobicContact CB-CD1 3.79Å; C102-L104 HydrophobicContact CB-CG 3.75Å; L104-C108 HydrophobicContact CB-CB 4.01Å; L104-C108 HydrophobicContact CD1-CB 4.29Å; L104-F109 HydrophobicContact CD1-CD1 4.43Å; L104-F109 HydrophobicContact CD1-CE1 3.65Å; L104-F109 HydrophobicContact CD1-CZ 3.75Å; L104-L376 HydrophobicContact CD2-CB 3.62Å; L104-I378 HydrophobicContact CD1-CD1 4.1Å; L104-I378 HydrophobicContact CD1-CG1 4.2Å
105	A	92.6	Very high	91.2	Very high	36 Å²	36	32.2 Å²	32.2	30%	0.298	20%	0.196	S	C	.	.			trans	-81.4	151.1	167.7	0	0	0	0	0	109.6	T99 A107 C108 L376	T99-A105 WeakPolarHBondContact CG2-O 3.43Å; A105-A107 PolarHBondContact O-N 3.32Å; A105-A107 VanDerWaalsContact O-N 3.17Å; A105-C108 WeakPolarHBondContact O-CB 3.33Å; A105-C108 PolarHBondContact O-N 3.2Å; A105-L376 HydrophobicContact CB-CD1 4.23Å
106	A	92.1	Very high	91.5	Very high	67 Å²	67	30.5 Å²	30.5	55%	0.554	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-54.7	-37.7	179.9	0	0	0	0	0	113.1	T99 C108 F109	T99-A106 WeakPolarHBondContact OG1-CA 3.49Å; A106-C108 PolarHBondContact O-N 2.93Å; A106-F109 PolarHBondContact O-N 3.49Å
107	A	92.8	Very high	91.8	Very high	37 Å²	37	27.7 Å²	27.7	31%	0.306	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-64.4	-15.9	177.2	0	0	0	0	0	114.3	A105 F109 Q110 V295	A105-A107 PolarHBondContact O-N 3.32Å; A105-A107 VanDerWaalsContact O-N 3.17Å; A107-F109 VanDerWaalsContact C-N 3.31Å; A107-F109 PolarHBondContact O-N 3.38Å; A107-Q110 WeakPolarHBondContact O-CG 3.25Å; A107-V295 HydrophobicContact CB-CG1 3.8Å; A107-V295 VanDerWaalsContact O-CG1 3.32Å; A107-V295 WeakPolarHBondContact O-CG1 3.34Å
108	C	94.6	Very high	92.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-66.6	-30	176.2	-68.9	0	0	0	0	112.8	L104 A105 A106 G296 S313 S415	L104-C108 HydrophobicContact CB-CB 4.01Å; L104-C108 HydrophobicContact CD1-CB 4.29Å; A105-C108 WeakPolarHBondContact O-CB 3.33Å; A105-C108 PolarHBondContact O-N 3.2Å; A106-C108 PolarHBondContact O-N 2.93Å; C108-G296 WeakPolarHBondContact O-CA 3.34Å; C108-S313 VanDerWaalsContact CB-OG 3.22Å; C108-S313 WeakPolarHBondContact CB-OG 3.23Å; C108-S313 PolarHBondContact SG-OG 3.23Å; C108-S313 VanDerWaalsContact SG-OG 3.36Å; C108-S415 VanDerWaalsContact O-CB 3.25Å; C108-S415 WeakPolarHBondContact O-CB 3.25Å
109	F	94.6	Very high	92.3	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.031	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-104.4	63.3	176.2	-67.5	-13.5	0	0	0	110.7	M98 T99 L104 A106 A107 T112 I378 S415 W416 F419	M98-F109 HydrophobicContact CB-CD2 4.13Å; M98-F109 HydrophobicContact CB-CE2 3.86Å; T99-F109 HydrophobicContact CG2-CB 3.67Å; T99-F109 HydrophobicContact CG2-CD1 4.21Å; T99-F109 HydrophobicContact CG2-CD2 3.31Å; T99-F109 HydrophobicContact CG2-CE2 3.95Å; T99-F109 HydrophobicContact CG2-CG 3.44Å; T99-F109 VanDerWaalsContact CG2-CG 3.44Å; L104-F109 HydrophobicContact CD1-CD1 4.43Å; L104-F109 HydrophobicContact CD1-CE1 3.65Å; L104-F109 HydrophobicContact CD1-CZ 3.75Å; A106-F109 PolarHBondContact O-N 3.49Å; A107-F109 VanDerWaalsContact C-N 3.31Å; A107-F109 PolarHBondContact O-N 3.38Å; F109-T112 WeakPolarHBondContact O-CG2 3.27Å; F109-I378 HydrophobicContact CE1-CD1 4.21Å; F109-S415 WeakPolarHBondContact CE1-O 3.34Å; F109-W416 HydrophobicContact CB-CE3 4.02Å; F109-W416 HydrophobicContact CD1-CB 4.4Å; F109-W416 HydrophobicContact CD1-CE3 4.24Å; F109-W416 AromaticContact CD2-CE3 3.62Å; F109-W416 HydrophobicContact CD2-CE3 3.62Å; F109-W416 AromaticContact CD2-CZ3 3.81Å; F109-W416 HydrophobicContact CD2-CZ3 3.81Å; F109-W416 HydrophobicContact CE2-CE3 4.1Å; F109-W416 HydrophobicContact CE2-CZ3 4.18Å; F109-W416 AromaticContact CG-CE3 3.72Å; F109-W416 HydrophobicContact CG-CE3 3.72Å; F109-W416 HydrophobicContact CG-CZ3 4.36Å; F109-F419 HydrophobicContact CE1-CB 3.89Å; F109-F419 HydrophobicContact CE1-CG 4.25Å; F109-F419 AromaticContact CE2-CD1 3.97Å; F109-F419 HydrophobicContact CE2-CD1 3.97Å; F109-F419 HydrophobicContact CE2-CE1 4.31Å; F109-F419 HydrophobicContact CE2-CG 4.24Å; F109-F419 HydrophobicContact CZ-CB 3.72Å; F109-F419 AromaticContact CZ-CD1 3.76Å; F109-F419 HydrophobicContact CZ-CD1 3.76Å; F109-F419 HydrophobicContact CZ-CD2 4.07Å; F109-F419 HydrophobicContact CZ-CE1 4.4Å; F109-F419 AromaticContact CZ-CG 3.56Å; F109-F419 HydrophobicContact CZ-CG 3.56Å
110	Q	84.5	Confident	92.5	Very high	89 Å²	89	26.7 Å²	26.7	42%	0.416	16%	0.164	S	C	.	.			trans	-76.7	167.4	162.2	-78.7	175.2	-10.2	0	0	111.2	A107 T112 V295	A107-Q110 WeakPolarHBondContact O-CG 3.25Å; Q110-T112 PolarHBondContact O-N 3.16Å; Q110-V295 PolarHBondContact OE1-O 3.02Å
111	D	80.6	Confident	92.8	Very high	103 Å²	103	23.9 Å²	23.9	55%	0.551	15%	0.153	S	C	*	.			trans	51.5	50.3	177.6	-59.2	-17.9	0	0	0	115	S113	D111-S113 PolarHBondContact O-N 3.09Å
112	T	89.5	Confident	93.1	Very high	56 Å²	56	27.3 Å²	27.3	34%	0.344	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	18.1	178.5	66.7	0	0	0	0	113.9	F109 Q110 T114 W416	F109-T112 WeakPolarHBondContact O-CG2 3.27Å; Q110-T112 PolarHBondContact O-N 3.16Å; T112-T114 VanDerWaalsContact C-N 3.28Å; T112-W416 HydrophobicContact CG2-CD2 3.93Å; T112-W416 HydrophobicContact CG2-CE3 4.34Å; T112-W416 HydrophobicContact CG2-CG 4.15Å; T112-W416 HydrophobicContact CG2-CZ2 4.45Å
113	S	91.9	Very high	93.3	Very high	51 Å²	51	28.1 Å²	28.1	36%	0.357	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.1	176.9	56	0	0	0	0	113.2	D111 R236 L237	D111-S113 PolarHBondContact O-N 3.09Å; S113-R236 CarbonylContact O-C 3.55Å; S113-L237 PolarHBondContact O-N 2.84Å
114	T	94.1	Very high	93.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142	176.4	-54.4	0	0	0	0	110.7	T112 L234 I235 W416 I417	T112-T114 VanDerWaalsContact C-N 3.28Å; T114-L234 HydrophobicContact CG2-CB 3.96Å; T114-L234 HydrophobicContact CG2-CD2 4.34Å; T114-L234 HydrophobicContact CG2-CG 4.5Å; T114-I235 CarbonylContact C-O 3.56Å; T114-I235 WeakPolarHBondContact CA-O 3.33Å; T114-W416 VanDerWaalsContact O-CD1 3.32Å; T114-W416 PolarHBondContact O-NE1 3.19Å; T114-I417 HydrophobicContact CG2-CD1 4.04Å; T114-I417 HydrophobicContact CG2-CG1 4.47Å
115	T	95.2	Very high	93.7	Very high	8 Å²	8	27.3 Å²	27.3	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.6	177.2	-159.2	0	0	0	0	110.4	T89 I235 L237 Q420	T89-T115 HydrophobicContact CG2-CG2 4.28Å; T115-I235 HydrophobicContact CG2-CB 3.81Å; T115-I235 HydrophobicContact CG2-CG2 4.05Å; T115-I235 PolarHBondContact N-O 3.19Å; T115-I235 PolarHBondContact O-N 3.35Å; T115-L237 HydrophobicContact CG2-CD1 4.08Å; T115-L237 HydrophobicContact CG2-CD2 3.91Å; T115-L237 HydrophobicContact CG2-CG 3.92Å; T115-Q420 VanDerWaalsContact CA-OE1 3.3Å; T115-Q420 PolarHBondContact OG1-NE2 3.02Å; T115-Q420 PolarHBondContact OG1-OE1 3.17Å
116	V	96.9	Very high	93.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	141.2	171.8	-179.5	0	0	0	0	110	W90 V232 T233 L234 Q420 V421 V424	W90-V116 HydrophobicContact CH2-CB 4Å; W90-V116 HydrophobicContact CH2-CG1 3.7Å; W90-V116 HydrophobicContact CZ2-CB 3.78Å; W90-V116 HydrophobicContact CZ2-CG1 4Å; V116-V232 HydrophobicContact CG1-CG1 3.61Å; V116-T233 WeakPolarHBondContact CA-O 3.15Å; V116-L234 HydrophobicContact CG2-CD2 4.4Å; V116-Q420 HydrophobicContact CG2-CB 3.86Å; V116-V421 HydrophobicContact CG2-CG2 3.88Å; V116-V424 HydrophobicContact CG1-CG2 4Å
117	G	97.4	Very high	93.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.6	174	0	0	0	0	0	113.2	Y88 V232 T233	Y88-G117 WeakPolarHBondContact O-CA 3.46Å; G117-V232 WeakPolarHBondContact O-CA 3.46Å; G117-T233 PolarHBondContact N-O 3.08Å; G117-T233 PolarHBondContact O-N 2.96Å
118	L	98	Very high	93.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.9	175.6	-60.6	173.5	0	0	0	109.2	Y88 W90 F120 V232 L428 M431	Y88-L118 PolarHBondContact N-O 2.55Å; Y88-L118 PolarHBondContact O-N 3.41Å; W90-L118 HydrophobicContact CZ3-CD1 3.93Å; W90-L118 HydrophobicContact CZ3-CG 3.96Å; L118-F120 HydrophobicContact CB-CD2 4.3Å; L118-F120 HydrophobicContact CB-CE2 3.71Å; L118-F120 HydrophobicContact CD1-CE2 4.24Å; L118-V232 HydrophobicContact CD2-CG1 4.41Å; L118-V232 HydrophobicContact CD2-CG2 3.91Å; L118-L428 HydrophobicContact CD1-CD2 3.55Å; L118-L428 HydrophobicContact CD2-CD2 4.22Å; L118-M431 HydrophobicContact CD1-CE 4.4Å
119	L	98	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	123.7	177.8	-59.7	-178.7	0	0	0	110	V85 L87 F152 L154 V162 S230 L231 T233	V85-L119 HydrophobicContact CG1-CB 3.69Å; V85-L119 HydrophobicContact CG1-CD1 4.33Å; V85-L119 HydrophobicContact CG1-CD2 3.97Å; V85-L119 HydrophobicContact CG1-CG 4.21Å; L87-L119 HydrophobicContact CB-CD2 3.99Å; L87-L119 HydrophobicContact CD1-CD2 3.74Å; L87-L119 HydrophobicContact CG-CD2 4.43Å; L119-F152 HydrophobicContact CD2-CE2 4.33Å; L119-F152 HydrophobicContact CD2-CZ 3.81Å; L119-L154 HydrophobicContact CD1-CD1 4.32Å; L119-V162 HydrophobicContact CD1-CG1 3.75Å; L119-S230 PolarHBondContact N-OG 3.22Å; L119-S230 VanDerWaalsContact O-CA 3.25Å; L119-S230 WeakPolarHBondContact O-CA 3.3Å; L119-S230 WeakPolarHBondContact O-CB 3.47Å; L119-S230 PolarHBondContact O-OG 3.4Å; L119-L231 HydrophobicContact CB-CB 4.27Å; L119-L231 PolarHBondContact N-O 3.4Å; L119-L231 PolarHBondContact O-N 2.81Å; L119-L231 VanDerWaalsContact O-N 3.09Å; L119-T233 HydrophobicContact CD1-CG2 3.98Å; L119-T233 HydrophobicContact CD2-CG2 4.48Å; L119-T233 HydrophobicContact CG-CG2 4.04Å
120	F	97.5	Very high	93.7	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149.3	176.6	-68.8	-89.4	0	0	0	111.1	L71 Q76 Y86 Y88 L118 K122 I124 I228 M431	L71-F120 HydrophobicContact CD2-CE1 3.76Å; L71-F120 HydrophobicContact CD2-CZ 3.88Å; Q76-F120 HydrophobicContact CG-CD1 4.17Å; Y86-F120 PolarHBondContact N-O 3.05Å; Y86-F120 PolarHBondContact O-N 3.37Å; Y88-F120 AromaticContact CD2-CD2 3.7Å; Y88-F120 HydrophobicContact CD2-CD2 3.7Å; Y88-F120 HydrophobicContact CD2-CE2 4.22Å; Y88-F120 HydrophobicContact CE2-CD2 4.21Å; L118-F120 HydrophobicContact CB-CD2 4.3Å; L118-F120 HydrophobicContact CB-CE2 3.71Å; L118-F120 HydrophobicContact CD1-CE2 4.24Å; F120-K122 VanDerWaalsContact C-N 3.29Å; F120-K122 WeakPolarHBondContact CB-O 3.46Å; F120-I124 HydrophobicContact CB-CG2 4.43Å; F120-I124 HydrophobicContact CD1-CG2 3.81Å; F120-I124 HydrophobicContact CD2-CG2 3.97Å; F120-I124 HydrophobicContact CE1-CG2 3.92Å; F120-I124 HydrophobicContact CE2-CD1 4.36Å; F120-I124 HydrophobicContact CE2-CG2 4.08Å; F120-I124 HydrophobicContact CG-CG2 3.82Å; F120-I124 HydrophobicContact CZ-CG2 4.05Å; F120-I228 HydrophobicContact CE1-CG2 4.36Å; F120-I228 HydrophobicContact CZ-CG2 4.49Å; F120-M431 HydrophobicContact CZ-CE 4.38Å
121	S	96.7	Very high	94.3	Very high	19 Å²	19	25.1 Å²	25.1	13%	0.133	14%	0.142	C	C	.	.	S	Bend	trans	-70.1	-26.5	174.6	67.7	0	0	0	0	113.3	Q76 T77	Q76-S121 VanDerWaalsContact OE1-N 3.1Å; Q76-S121 PolarHBondContact OE1-OG 2.8Å; T77-S121 PolarHBondContact N-OG 2.93Å; T77-S121 VanDerWaalsContact O-CB 3.26Å; T77-S121 WeakPolarHBondContact O-CB 3.4Å; T77-S121 PolarHBondContact O-OG 3.22Å
122	K	95.6	Very high	95.1	Very high	73 Å²	73	20.9 Å²	20.9	32%	0.317	12%	0.118	S	C	.	.	S	Bend	trans	-140.7	155.8	-177.6	-66.4	-176.1	-164	154.8	0	110.2	Y75 Q76 F120	Y75-K122 HydrophobicContact CD2-CD 4.18Å; Y75-K122 HydrophobicContact CE1-CB 3.81Å; Y75-K122 HydrophobicContact CE1-CD 4.38Å; Y75-K122 HydrophobicContact CE2-CB 4.45Å; Y75-K122 HydrophobicContact CE2-CD 3.81Å; Y75-K122 VanDerWaalsContact O-CD 3.28Å; Y75-K122 WeakPolarHBondContact O-CD 3.48Å; Y75-K122 VanDerWaalsContact O-CE 3.28Å; Y75-K122 WeakPolarHBondContact O-CE 3.25Å; Y75-K122 PolarHBondContact O-NZ 3.13Å; Q76-K122 PolarHBondContact NE2-O 2.77Å; F120-K122 VanDerWaalsContact C-N 3.29Å; F120-K122 WeakPolarHBondContact CB-O 3.46Å
123	P	95.7	Very high	95.4	Very high	17 Å²	17	18.2 Å²	18.2	11%	0.11	10%	0.102	C	C	.	.			trans	-62.8	144.7	177.1	27.4	-34.5	0	0	0	111.3	Y75 Y86 Y88 L469	Y75-P123 WeakPolarHBondContact CE1-O 3.5Å; Y75-P123 PolarHBondContact OH-O 3.43Å; Y86-P123 HydrophobicContact CD1-CB 4.14Å; Y86-P123 HydrophobicContact CE1-CB 4.18Å; Y86-P123 HydrophobicContact CE1-CG 4.24Å; Y88-P123 WeakPolarHBondContact OH-CA 3.16Å; P123-L469 HydrophobicContact CB-CD1 4.31Å; P123-L469 HydrophobicContact CG-CD1 3.99Å; P123-L469 WeakPolarHBondContact O-CD1 3.23Å
124	I	95.4	Very high	95.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	9%	0.085	C	C	.	.	S	Bend	trans	-93.9	-11.5	179.2	74.2	-175.7	0	0	0	112.9	C70 L71 Y88 F120 V130 M431 L435	C70-I124 PolarHBondContact SG-O 3.28Å; L71-I124 HydrophobicContact CD2-CB 3.94Å; L71-I124 HydrophobicContact CD2-CD1 4.21Å; L71-I124 HydrophobicContact CD2-CG2 3.65Å; Y88-I124 HydrophobicContact CD1-CD1 3.98Å; Y88-I124 HydrophobicContact CD1-CG1 4.31Å; Y88-I124 HydrophobicContact CE1-CD1 3.94Å; Y88-I124 HydrophobicContact CE1-CG1 3.74Å; Y88-I124 HydrophobicContact CE2-CD1 4.44Å; Y88-I124 HydrophobicContact CE2-CG1 4.2Å; Y88-I124 HydrophobicContact CE2-CG2 4.36Å; Y88-I124 HydrophobicContact CG-CD1 4.28Å; Y88-I124 PolarHBondContact OH-N 2.9Å; Y88-I124 VanDerWaalsContact OH-N 3.09Å; F120-I124 HydrophobicContact CB-CG2 4.43Å; F120-I124 HydrophobicContact CD1-CG2 3.81Å; F120-I124 HydrophobicContact CD2-CG2 3.97Å; F120-I124 HydrophobicContact CE1-CG2 3.92Å; F120-I124 HydrophobicContact CE2-CD1 4.36Å; F120-I124 HydrophobicContact CE2-CG2 4.08Å; F120-I124 HydrophobicContact CG-CG2 3.82Å; F120-I124 HydrophobicContact CZ-CG2 4.05Å; I124-V130 HydrophobicContact CD1-CG1 4.39Å; I124-V130 HydrophobicContact CD1-CG2 4.38Å; I124-V130 HydrophobicContact CG1-CG1 4.42Å; I124-V130 HydrophobicContact CG1-CG2 4.28Å; I124-M431 HydrophobicContact CD1-SD 3.89Å; I124-L435 HydrophobicContact CD1-CD1 4.42Å
125	S	94.1	Very high	95.5	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.035	8%	0.084	C	C	.	.			trans	-154.3	155.7	177.7	177.7	0	0	0	0	109.5	K127 S470	S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact OG-N 3.08Å; S125-S470 PolarHBondContact OG-O 3.41Å
126	K	92.3	Very high	95.4	Very high	77 Å²	77	15.4 Å²	15.4	34%	0.335	8%	0.082	S	C	.	.	S	Bend	trans	-76.2	-23.1	171.6	-60	-176.9	179.9	179.8	0	112.4	N466 D467 L469 S470 H471	K126-N466 WeakPolarHBondContact CE-O 3.24Å; K126-D467 WeakPolarHBondContact CE-O 3.42Å; K126-D467 PolarHBondContact NZ-O 3.11Å; K126-L469 HydrophobicContact CD-CB 4.48Å; K126-L469 WeakPolarHBondContact CD-O 3.38Å; K126-L469 VanDerWaalsContact CE-O 3.26Å; K126-L469 WeakPolarHBondContact CE-O 3.47Å; K126-L469 HydrophobicContact CG-CB 3.71Å; K126-S470 WeakPolarHBondContact CB-O 3.44Å; K126-S470 PolarHBondContact N-O 3.49Å; K126-H471 WeakPolarHBondContact CD-CE1 3.46Å; K126-H471 VanDerWaalsContact CD-NE2 3.32Å; K126-H471 WeakPolarHBondContact CD-NE2 3.22Å; K126-H471 PolarHBondContact NZ-NE2 3.09Å
127	K	90.3	Very high	95.1	Very high	56 Å²	56	15.4 Å²	15.4	24%	0.243	8%	0.082	C	C	.	.	S	Bend	trans	-88.8	139.9	175	-78.4	-166.2	165.7	-168.3	0	111.1	S125 Y129 H471 T473 E518	S125-K127 VanDerWaalsContact C-N 3.33Å; S125-K127 PolarHBondContact OG-N 3.08Å; K127-Y129 VanDerWaalsContact C-N 3.3Å; K127-Y129 PolarHBondContact O-N 3.4Å; K127-H471 WeakPolarHBondContact CD-O 3.31Å; K127-H471 WeakPolarHBondContact CE-O 3.33Å; K127-T473 WeakPolarHBondContact CD-OG1 3.48Å; K127-E518 IonicContact NZ-OE1 3.27Å; K127-E518 PolarHBondContact NZ-OE1 3.25Å; K127-E518 IonicContact NZ-OE2 3.12Å; K127-E518 PolarHBondContact NZ-OE2 3.22Å
128	G	92.6	Very high	94.7	Very high	39 Å²	39	17.2 Å²	17.2	40%	0.402	9%	0.093	S	C	.	.	S	Bend	trans	-63.1	-36.2	172.4	0	0	0	0	0	112.4	R147 L148	G128-R147 CarbonylContact O-C 3.5Å; G128-R147 WeakPolarHBondContact O-CA 3.35Å; G128-L148 PolarHBondContact O-N 3.35Å
129	Y	95.8	Very high	94.2	Very high	17 Å²	17	19.7 Å²	19.7	7%	0.067	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.2	170.7	-175.5	-159.6	0	0	0	110.2	K127 C131 R132 R145 R147 T473 L511 D512	K127-Y129 VanDerWaalsContact C-N 3.3Å; K127-Y129 PolarHBondContact O-N 3.4Å; Y129-C131 WeakPolarHBondContact CE2-O 3.3Å; Y129-R132 WeakPolarHBondContact OH-CB 3.37Å; Y129-R145 HydrophobicContact CD2-CB 4.45Å; Y129-R145 HydrophobicContact CE2-CB 3.58Å; Y129-R145 HydrophobicContact CE2-CG 4.11Å; Y129-R145 VanDerWaalsContact OH-CD 3.27Å; Y129-R145 WeakPolarHBondContact OH-CD 3.48Å; Y129-R145 VanDerWaalsContact OH-CG 3.3Å; Y129-R145 WeakPolarHBondContact OH-CG 3.47Å; Y129-R147 HydrophobicContact CD2-CG 3.86Å; Y129-R147 HydrophobicContact CG-CG 4.44Å; Y129-T473 HydrophobicContact CD1-CG2 3.59Å; Y129-T473 HydrophobicContact CD2-CG2 4.12Å; Y129-T473 HydrophobicContact CE1-CG2 3.74Å; Y129-T473 HydrophobicContact CE2-CG2 4.21Å; Y129-T473 HydrophobicContact CG-CG2 3.8Å; Y129-T473 PolarHBondContact O-OG1 3.42Å; Y129-L511 HydrophobicContact CD1-CB 3.83Å; Y129-L511 HydrophobicContact CD1-CD2 4.41Å; Y129-L511 HydrophobicContact CE1-CB 3.83Å; Y129-D512 WeakPolarHBondContact CE1-OD1 3.35Å; Y129-D512 PolarHBondContact OH-OD1 3.18Å
130	V	96.2	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-60.7	-171.5	-173.8	0	0	0	0	111.1	Y88 I124 V146 L435 T473 I474	Y88-V130 HydrophobicContact CD1-CG2 4.01Å; Y88-V130 HydrophobicContact CE1-CG2 3.61Å; I124-V130 HydrophobicContact CD1-CG1 4.39Å; I124-V130 HydrophobicContact CD1-CG2 4.38Å; I124-V130 HydrophobicContact CG1-CG1 4.42Å; I124-V130 HydrophobicContact CG1-CG2 4.28Å; V130-V146 HydrophobicContact CB-CB 4.47Å; V130-V146 HydrophobicContact CB-CG1 4.36Å; V130-V146 PolarHBondContact N-O 3.09Å; V130-L435 HydrophobicContact CG1-CD2 3.97Å; V130-T473 WeakPolarHBondContact O-CA 3.23Å; V130-I474 PolarHBondContact O-N 3.24Å
131	C	97.1	Very high	93.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	153.4	-178.1	59.4	0	0	0	0	114.3	Y129 V146 A434 I474	Y129-C131 WeakPolarHBondContact CE2-O 3.3Å; C131-V146 PolarHBondContact O-N 3.33Å; C131-A434 HydrophobicContact CB-CB 3.94Å; C131-I474 CarbonylContact C-O 3.56Å; C131-I474 WeakPolarHBondContact CA-O 3.3Å; C131-I474 HydrophobicContact CB-CB 4.14Å; C131-I474 VanDerWaalsContact CB-O 3.23Å; C131-I474 WeakPolarHBondContact CB-O 3.37Å
132	R	96.7	Very high	93.3	Very high	14 Å²	14	18.9 Å²	18.9	5%	0.053	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.5	168.1	-166.5	-164.9	69.7	-173.1	-0.5	109.1	Y129 R143 S144 R145 I474 L475 V476 D478 S481 D512	Y129-R132 WeakPolarHBondContact OH-CB 3.37Å; R132-R143 HydrophobicContact CG-CB 4.26Å; R132-R143 HydrophobicContact CG-CG 4.43Å; R132-S144 CarbonylContact C-O 3.59Å; R132-S144 WeakPolarHBondContact CA-O 3.33Å; R132-R145 HydrophobicContact CG-CG 4.35Å; R132-I474 PolarHBondContact N-O 3.06Å; R132-L475 HydrophobicContact CB-CD2 3.62Å; R132-V476 PolarHBondContact NH2-O 3.33Å; R132-V476 VanDerWaalsContact O-CB 3.26Å; R132-V476 WeakPolarHBondContact O-CB 3.45Å; R132-V476 VanDerWaalsContact O-CG2 3.31Å; R132-V476 WeakPolarHBondContact O-CG2 3.21Å; R132-V476 PolarHBondContact O-N 2.67Å; R132-D478 IonicContact CZ-OD2 2.77Å; R132-D478 IonicContact NE-OD2 3.91Å; R132-D478 IonicContact NH1-OD2 2.79Å; R132-D478 IonicContact NH2-OD2 3.75Å; R132-D478 PolarHBondContact NH2-OD2 3.27Å; R132-D478 VanDerWaalsContact NH2-OD2 3.15Å; R132-S481 PolarHBondContact NH2-OG 3.46Å; R132-S481 VanDerWaalsContact NH2-OG 3.08Å; R132-D512 WeakPolarHBondContact CD-OD2 3.4Å
133	I	95.6	Very high	93.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128	-176.7	-67.3	172.9	0	0	0	109.5	L135 S144 V146 I427 Q430 M431	I133-L135 HydrophobicContact CG2-CD2 4.25Å; I133-S144 PolarHBondContact N-O 3.49Å; I133-S144 PolarHBondContact O-N 3.09Å; I133-V146 HydrophobicContact CD1-CG2 3.66Å; I133-I427 HydrophobicContact CD1-CG2 4.06Å; I133-I427 WeakPolarHBondContact CD1-O 3.29Å; I133-Q430 HydrophobicContact CB-CB 4.3Å; I133-Q430 HydrophobicContact CD1-CB 4.02Å; I133-Q430 HydrophobicContact CG1-CB 3.89Å; I133-Q430 HydrophobicContact CG2-CB 3.56Å; I133-Q430 HydrophobicContact CG2-CG 3.88Å; I133-M431 HydrophobicContact CD1-CB 4.03Å
134	P	94.5	Very high	93.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142.5	169.5	31.1	-34.3	0	0	0	111.7	Y136 M141 V476 D478	P134-Y136 HydrophobicContact CB-CE1 4.12Å; P134-Y136 HydrophobicContact CB-CE2 4.07Å; P134-Y136 HydrophobicContact CG-CE2 4.12Å; P134-M141 HydrophobicContact CB-CG 4.42Å; P134-M141 HydrophobicContact CB-SD 4.12Å; P134-V476 HydrophobicContact CG-CG1 4.28Å; P134-D478 HydrophobicContact CB-CB 3.68Å; P134-D478 HydrophobicContact CG-CB 4.08Å
135	L	94.2	Very high	93.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.3	172.6	-58.7	178.9	0	0	0	108.5	L92 I133 M141 A142 L423 T426 I427	L92-L135 HydrophobicContact CD2-CD1 3.63Å; I133-L135 HydrophobicContact CG2-CD2 4.25Å; L135-M141 CarbonylContact O-C 3.58Å; L135-M141 WeakPolarHBondContact O-CA 3.26Å; L135-A142 HydrophobicContact CB-CB 4.43Å; L135-A142 PolarHBondContact N-O 2.61Å; L135-A142 PolarHBondContact O-N 3.13Å; L135-L423 HydrophobicContact CD1-CD1 3.78Å; L135-L423 HydrophobicContact CD1-CD2 4.28Å; L135-L423 HydrophobicContact CD2-CD2 4.36Å; L135-T426 HydrophobicContact CD2-CG2 3.66Å; L135-I427 HydrophobicContact CD2-CG1 4.14Å
136	Y	92.4	Very high	93.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.6	-178.2	-53.4	-68.9	0	0	0	110.3	P134 M141 S384 T385 Q386 V387 R479	P134-Y136 HydrophobicContact CB-CE1 4.12Å; P134-Y136 HydrophobicContact CB-CE2 4.07Å; P134-Y136 HydrophobicContact CG-CE2 4.12Å; Y136-M141 HydrophobicContact CD1-CB 4.04Å; Y136-M141 HydrophobicContact CD1-CG 3.74Å; Y136-M141 HydrophobicContact CD1-SD 4.11Å; Y136-M141 HydrophobicContact CE1-CB 4.39Å; Y136-M141 HydrophobicContact CE1-CG 3.79Å; Y136-M141 HydrophobicContact CE1-SD 3.53Å; Y136-M141 VanDerWaalsContact CE1-SD 3.53Å; Y136-S384 WeakPolarHBondContact CD2-O 3.43Å; Y136-S384 PolarHBondContact N-O 2.98Å; Y136-S384 VanDerWaalsContact O-CA 3.27Å; Y136-S384 WeakPolarHBondContact O-CA 3.17Å; Y136-S384 WeakPolarHBondContact O-CB 3.35Å; Y136-T385 WeakPolarHBondContact CD2-O 3.45Å; Y136-Q386 WeakPolarHBondContact CB-O 3.29Å; Y136-V387 HydrophobicContact CE1-CG2 4.06Å; Y136-V387 HydrophobicContact CE2-CB 4.1Å; Y136-V387 HydrophobicContact CE2-CG2 4.36Å; Y136-R479 HydrophobicContact CE1-CG 4.47Å
137	L	91.8	Very high	93.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	176.6	-170.3	-58.6	176.8	0	0	0	111.6	M98 L101 R139 G140 H381 A389 G390 F419	M98-L137 HydrophobicContact CE-CD1 3.73Å; L101-L137 HydrophobicContact CB-CB 4.21Å; L101-L137 HydrophobicContact CB-CD1 3.83Å; L101-L137 HydrophobicContact CD1-CD1 4Å; L137-R139 PolarHBondContact O-N 3.2Å; L137-G140 CarbonylContact C-O 3.24Å; L137-G140 WeakPolarHBondContact CA-O 3.43Å; L137-G140 WeakPolarHBondContact CB-O 3.13Å; L137-G140 PolarHBondContact N-O 3.34Å; L137-G140 PolarHBondContact O-N 3.5Å; L137-H381 HydrophobicContact CD2-CB 4.14Å; L137-A389 CarbonylContact O-C 3.58Å; L137-G390 WeakPolarHBondContact O-CA 3.36Å; L137-G390 PolarHBondContact O-N 2.96Å; L137-F419 HydrophobicContact CD1-CZ 4.16Å; L137-F419 HydrophobicContact CD2-CE2 4.11Å; L137-F419 HydrophobicContact CD2-CZ 4.29Å
138	T	88.3	Confident	93.9	Very high	38 Å²	38	14.2 Å²	14.2	23%	0.233	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23	-169.8	-66.1	0	0	0	0	114.9	L101 S103 R380 H381 G390	L101-T138 PolarHBondContact O-N 3.02Å; S103-T138 WeakPolarHBondContact OG-CG2 3.43Å; T138-R380 WeakPolarHBondContact OG1-CB 2.91Å; T138-H381 WeakPolarHBondContact CB-NE2 3.3Å; T138-H381 PolarHBondContact N-CE1 2.79Å; T138-H381 VanDerWaalsContact N-CE1 3.26Å; T138-H381 PolarHBondContact N-NE2 3.16Å; T138-H381 PolarHBondContact OG1-CE1 3.35Å; T138-H381 VanDerWaalsContact OG1-CE1 3.28Å; T138-H381 PolarHBondContact OG1-ND1 3.4Å; T138-H381 PolarHBondContact OG1-NE2 2.98Å; T138-G390 WeakPolarHBondContact O-CA 3.49Å
139	R	87.2	Confident	94.1	Very high	53 Å²	53	14.5 Å²	14.5	20%	0.2	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-8.3	176.6	-87.3	175.6	171.3	-177.9	-6.9	115.6	Q100 L101 S103 L137 N494 F496	Q100-R139 VanDerWaalsContact O-CD 3.22Å; Q100-R139 WeakPolarHBondContact O-CD 3.4Å; L101-R139 PolarHBondContact O-N 2.86Å; S103-R139 WeakPolarHBondContact OG-CD 3.31Å; S103-R139 WeakPolarHBondContact OG-CG 3.45Å; S103-R139 PolarHBondContact OG-NE 3.12Å; L137-R139 PolarHBondContact O-N 3.2Å; R139-N494 VanDerWaalsContact O-CG 3.29Å; R139-N494 PolarHBondContact O-ND2 3.04Å; R139-F496 HydrophobicContact CB-CD2 3.9Å; R139-F496 HydrophobicContact CB-CE2 4.19Å; R139-F496 HydrophobicContact CB-CG 4.46Å; R139-F496 HydrophobicContact CG-CD2 4.39Å; R139-F496 HydrophobicContact CG-CE2 4.19Å; R139-F496 WeakPolarHBondContact O-CD2 3.3Å
140	G	89.2	Confident	94.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.1	-170	-171.1	0	0	0	0	0	111.8	L137 D497	L137-G140 CarbonylContact C-O 3.24Å; L137-G140 WeakPolarHBondContact CA-O 3.43Å; L137-G140 WeakPolarHBondContact CB-O 3.13Å; L137-G140 PolarHBondContact N-O 3.34Å; L137-G140 PolarHBondContact O-N 3.5Å; G140-D497 WeakPolarHBondContact CA-OD1 3.35Å
141	M	91.8	Very high	94.1	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.7	-172.5	-175	-174.5	71.3	0	0	112.6	P134 L135 Y136 D478 R479 L480 D497	P134-M141 HydrophobicContact CB-CG 4.42Å; P134-M141 HydrophobicContact CB-SD 4.12Å; L135-M141 CarbonylContact O-C 3.58Å; L135-M141 WeakPolarHBondContact O-CA 3.26Å; Y136-M141 HydrophobicContact CD1-CB 4.04Å; Y136-M141 HydrophobicContact CD1-CG 3.74Å; Y136-M141 HydrophobicContact CD1-SD 4.11Å; Y136-M141 HydrophobicContact CE1-CB 4.39Å; Y136-M141 HydrophobicContact CE1-CG 3.79Å; Y136-M141 HydrophobicContact CE1-SD 3.53Å; Y136-M141 VanDerWaalsContact CE1-SD 3.53Å; M141-D478 HydrophobicContact CE-CB 4.24Å; M141-D478 HydrophobicContact SD-CB 3.65Å; M141-R479 HydrophobicContact SD-CB 4.1Å; M141-L480 HydrophobicContact CE-CB 4.28Å; M141-L480 HydrophobicContact CE-CD1 3.81Å; M141-L480 HydrophobicContact CE-CG 3.8Å; M141-D497 HydrophobicContact CB-CB 4.42Å; M141-D497 WeakPolarHBondContact CB-OD1 3.45Å; M141-D497 PolarHBondContact N-OD1 2.99Å
142	A	93	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.3	162.4	0	0	0	0	0	111	P93 M98 L101 L135 V500	P93-A142 HydrophobicContact CG-CB 4.02Å; M98-A142 HydrophobicContact CE-CB 4.16Å; M98-A142 HydrophobicContact SD-CB 3.97Å; L101-A142 HydrophobicContact CD1-CB 3.77Å; L135-A142 HydrophobicContact CB-CB 4.43Å; L135-A142 PolarHBondContact N-O 2.61Å; L135-A142 PolarHBondContact O-N 3.13Å; A142-V500 HydrophobicContact CB-CG1 4.43Å
143	R	94.1	Very high	94	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.087	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.3	170.6	-74.3	165.2	166.9	169.3	-0.2	108.9	R132 D478 D501	R132-R143 HydrophobicContact CG-CB 4.26Å; R132-R143 HydrophobicContact CG-CG 4.43Å; R143-D478 IonicContact CZ-OD1 2.87Å; R143-D478 IonicContact CZ-OD2 2.6Å; R143-D478 VanDerWaalsContact CZ-OD2 3.28Å; R143-D478 IonicContact NE-OD1 2.87Å; R143-D478 IonicContact NE-OD2 3.89Å; R143-D478 PolarHBondContact NE-OD2 3.19Å; R143-D478 VanDerWaalsContact NH2-CG 3.33Å; R143-D478 IonicContact NH2-OD1 3.97Å; R143-D478 PolarHBondContact NH2-OD1 2.89Å; R143-D478 IonicContact NH2-OD2 2.81Å; R143-D478 PolarHBondContact NH2-OD2 2.84Å; R143-D501 IonicContact CZ-OD1 3.49Å; R143-D501 IonicContact NH1-OD1 3.75Å; R143-D501 PolarHBondContact NH1-OD1 3.18Å; R143-D501 IonicContact NH1-OD2 3.68Å; R143-D501 PolarHBondContact NH1-OD2 3.17Å
144	S	95.2	Very high	94	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146.7	174	-168.9	0	0	0	0	110.4	W90 S91 R132 I133	W90-S144 WeakPolarHBondContact CB-OG 3.14Å; S91-S144 VanDerWaalsContact O-CA 3.29Å; S91-S144 WeakPolarHBondContact O-CA 3.29Å; S91-S144 PolarHBondContact O-OG 3.45Å; R132-S144 CarbonylContact C-O 3.59Å; R132-S144 WeakPolarHBondContact CA-O 3.33Å; I133-S144 PolarHBondContact N-O 3.49Å; I133-S144 PolarHBondContact O-N 3.09Å
145	R	96.4	Very high	94.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	105.5	-168.9	-57.8	-173.8	178.3	74.5	10.7	111	W90 S91 Y129 R132 R147 D508 D512	W90-R145 VanDerWaalsContact CA-O 3.26Å; W90-R145 WeakPolarHBondContact CA-O 3.32Å; S91-R145 PolarHBondContact N-O 3.26Å; S91-R145 PolarHBondContact O-N 2.9Å; S91-R145 WeakPolarHBondContact OG-CB 3.22Å; Y129-R145 HydrophobicContact CD2-CB 4.45Å; Y129-R145 HydrophobicContact CE2-CB 3.58Å; Y129-R145 HydrophobicContact CE2-CG 4.11Å; Y129-R145 VanDerWaalsContact OH-CD 3.27Å; Y129-R145 WeakPolarHBondContact OH-CD 3.48Å; Y129-R145 VanDerWaalsContact OH-CG 3.3Å; Y129-R145 WeakPolarHBondContact OH-CG 3.47Å; R132-R145 HydrophobicContact CG-CG 4.35Å; R145-R147 VanDerWaalsContact CD-NH2 3.28Å; R145-D508 WeakPolarHBondContact CD-OD2 3.33Å; R145-D508 IonicContact CZ-OD2 3.36Å; R145-D508 IonicContact NE-OD2 3.53Å; R145-D508 IonicContact NH1-OD2 3.17Å; R145-D508 PolarHBondContact NH1-OD2 3.15Å; R145-D512 IonicContact CZ-OD2 3.22Å; R145-D512 VanDerWaalsContact CZ-OD2 3.29Å; R145-D512 IonicContact NE-OD1 2.65Å; R145-D512 PolarHBondContact NE-OD1 2.89Å; R145-D512 VanDerWaalsContact NE-OD1 3.14Å; R145-D512 IonicContact NE-OD2 3.28Å; R145-D512 PolarHBondContact NE-OD2 3.22Å; R145-D512 IonicContact NH2-OD2 2.67Å; R145-D512 PolarHBondContact NH2-OD2 3.48Å
146	V	97.4	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.8	-177	-178.2	0	0	0	0	110.1	W90 V130 C131 I133 I427 M431	W90-V146 HydrophobicContact CB-CG2 4.34Å; V130-V146 HydrophobicContact CB-CB 4.47Å; V130-V146 HydrophobicContact CB-CG1 4.36Å; V130-V146 PolarHBondContact N-O 3.09Å; C131-V146 PolarHBondContact O-N 3.33Å; I133-V146 HydrophobicContact CD1-CG2 3.66Å; V146-I427 HydrophobicContact CG2-CG2 4.12Å; V146-M431 HydrophobicContact CG1-SD 3.96Å
147	R	96.1	Very high	94.4	Very high	44 Å²	44	43.5 Å²	43.5	17%	0.166	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	142.6	-172.4	-66.9	176.6	179.3	158.4	3	112.2	Y88 T89 G128 Y129 R145 T149 D508 L511	Y88-R147 VanDerWaalsContact CA-O 3.25Å; Y88-R147 WeakPolarHBondContact CA-O 3.26Å; T89-R147 PolarHBondContact N-O 2.94Å; T89-R147 PolarHBondContact O-N 2.89Å; G128-R147 CarbonylContact O-C 3.5Å; G128-R147 WeakPolarHBondContact O-CA 3.35Å; Y129-R147 HydrophobicContact CD2-CG 3.86Å; Y129-R147 HydrophobicContact CG-CG 4.44Å; R145-R147 VanDerWaalsContact CD-NH2 3.28Å; R147-T149 HydrophobicContact CB-CG2 4.25Å; R147-T149 PolarHBondContact O-N 3.08Å; R147-D508 IonicContact CZ-OD1 2.68Å; R147-D508 IonicContact NH1-OD1 3.79Å; R147-D508 PolarHBondContact NH1-OD1 2.99Å; R147-D508 IonicContact NH2-OD1 3.97Å; R147-D508 PolarHBondContact NH2-OD1 3.49Å; R147-D508 IonicContact NH2-OD2 3.01Å; R147-L511 VanDerWaalsContact NH2-CD1 3.28Å
148	L	97	Very high	94.6	Very high	62 Å²	62	46.4 Å²	46.4	33%	0.325	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	118.4	161.3	-179	72	0	0	0	107.7	Y86 Y88 G128	Y86-L148 HydrophobicContact CD1-CD1 4.01Å; Y88-L148 HydrophobicContact CD1-CB 4.05Å; Y88-L148 HydrophobicContact CD2-CD1 4.09Å; Y88-L148 HydrophobicContact CE1-CB 3.59Å; Y88-L148 HydrophobicContact CE1-CD1 4.13Å; Y88-L148 HydrophobicContact CE1-CG 4.44Å; Y88-L148 HydrophobicContact CE2-CD1 3.63Å; G128-L148 PolarHBondContact O-N 3.35Å
149	T	96.5	Very high	95	Very high	45 Å²	45	45.2 Å²	45.2	28%	0.276	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-18.9	-177	45.8	0	0	0	0	113.6	L87 T89 R147 Y240	L87-T149 PolarHBondContact O-N 3.19Å; T89-T149 VanDerWaalsContact OG1-CG2 3.22Å; T89-T149 WeakPolarHBondContact OG1-CG2 3.06Å; T89-T149 PolarHBondContact OG1-OG1 3.28Å; T89-T149 VanDerWaalsContact OG1-OG1 3.11Å; R147-T149 HydrophobicContact CB-CG2 4.25Å; R147-T149 PolarHBondContact O-N 3.08Å; T149-Y240 HydrophobicContact CG2-CD1 4.05Å; T149-Y240 HydrophobicContact CG2-CE1 3.83Å
150	G	95	Very high	95.5	Very high	16 Å²	16	47.9 Å²	47.9	17%	0.165	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.9	176.7	0	0	0	0	0	114.2	L87	L87-G150 PolarHBondContact N-O 2.97Å; L87-G150 PolarHBondContact O-N 3.13Å
151	K	95.9	Very high	95.9	Very high	133 Å²	133	49.3 Å²	49.3	58%	0.578	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	119.7	167.1	-176.5	-170.2	177.2	-171.3	0	108.5	V85 Y86	V85-K151 WeakPolarHBondContact O-CA 3.35Å; Y86-K151 HydrophobicContact CD1-CG 4.41Å; Y86-K151 HydrophobicContact CE1-CD 3.97Å; Y86-K151 HydrophobicContact CE1-CG 4.25Å
152	F	95.9	Very high	96.2	Very high	56 Å²	56	49.1 Å²	49.1	25%	0.246	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	176.1	-176.7	48.5	-100.6	0	0	0	111	V85 L87 L119 L154 V242	V85-F152 PolarHBondContact N-O 3.07Å; V85-F152 PolarHBondContact O-N 3.44Å; V85-F152 VanDerWaalsContact O-N 3.13Å; L87-F152 HydrophobicContact CB-CE1 3.77Å; L87-F152 HydrophobicContact CB-CZ 4.12Å; L87-F152 HydrophobicContact CD2-CE1 3.95Å; L87-F152 HydrophobicContact CD2-CZ 4.44Å; L87-F152 HydrophobicContact CG-CE1 4.47Å; L119-F152 HydrophobicContact CD2-CE2 4.33Å; L119-F152 HydrophobicContact CD2-CZ 3.81Å; F152-L154 HydrophobicContact CD2-CD2 4.08Å; F152-L154 HydrophobicContact CD2-CG 4.36Å; F152-L154 HydrophobicContact CE2-CD2 3.85Å; F152-L154 HydrophobicContact CE2-CG 4.22Å; F152-V242 HydrophobicContact CE2-CG2 4.29Å; F152-V242 HydrophobicContact CZ-CG2 4.09Å
153	T	96.5	Very high	96.4	Very high	87 Å²	87	51.8 Å²	51.8	53%	0.534	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.8	174.1	52.7	0	0	0	0	109.2	G82	G82-T153 WeakPolarHBondContact O-CG2 3.37Å
154	L	95.7	Very high	96.5	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	27%	0.27	C	S	.	.			trans	-103.1	137.6	173.6	-64	173.9	0	0	0	110.4	G82 V85 L119 F152 E158 L159	G82-L154 PolarHBondContact N-O 2.97Å; V85-L154 HydrophobicContact CG2-CD1 4.33Å; V85-L154 HydrophobicContact CG2-CG 4.36Å; L119-L154 HydrophobicContact CD1-CD1 4.32Å; F152-L154 HydrophobicContact CD2-CD2 4.08Å; F152-L154 HydrophobicContact CD2-CG 4.36Å; F152-L154 HydrophobicContact CE2-CD2 3.85Å; F152-L154 HydrophobicContact CE2-CG 4.22Å; L154-E158 HydrophobicContact CB-CB 4.35Å; L154-E158 HydrophobicContact CD2-CB 4.09Å; L154-L159 HydrophobicContact CB-CB 4.33Å; L154-L159 HydrophobicContact CD1-CD1 4.16Å
155	S	96.2	Very high	96.7	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	27%	0.27	S	S	.	.			trans	-72.8	164.3	164.4	68.3	0	0	0	0	111.3	K157 E158 L159	S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 PolarHBondContact O-N 3.47Å; S155-E158 WeakPolarHBondContact CB-OE2 3.38Å; S155-E158 PolarHBondContact N-OE2 3.45Å; S155-E158 PolarHBondContact O-N 2.94Å; S155-E158 VanDerWaalsContact O-N 3.14Å; S155-E158 VanDerWaalsContact OG-CG 3.3Å; S155-E158 WeakPolarHBondContact OG-CG 3.48Å; S155-E158 PolarHBondContact OG-OE2 3.49Å; S155-L159 WeakPolarHBondContact O-CB 3.29Å; S155-L159 PolarHBondContact O-N 3.38Å
156	E	96.5	Very high	96.7	Very high	114 Å²	114	53.2 Å²	53.2	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-37.5	-178.8	-167.4	-169.2	160.5	0	0	112.7	C81 K160	C81-E156 HydrophobicContact CB-CB 4.5Å; C81-E156 PolarHBondContact SG-N 3.1Å; E156-K160 HydrophobicContact CG-CD 4.49Å; E156-K160 WeakPolarHBondContact O-CG 3.4Å; E156-K160 PolarHBondContact O-N 2.63Å; E156-K160 VanDerWaalsContact O-N 3.1Å; E156-K160 VanDerWaalsContact OE1-CE 3.31Å; E156-K160 WeakPolarHBondContact OE1-CE 3.24Å; E156-K160 IonicContact OE1-NZ 2.65Å; E156-K160 PolarHBondContact OE1-NZ 3.3Å
157	K	96.4	Very high	96.7	Very high	181 Å²	181	56.5 Å²	56.5	79%	0.787	29%	0.285	S	S	*	.	H	α-helix	trans	-68.4	-41.5	178	-175	-176.6	176.7	-172.6	0	111.7	S155 C161	S155-K157 VanDerWaalsContact C-N 3.26Å; S155-K157 PolarHBondContact O-N 3.47Å; K157-C161 WeakPolarHBondContact O-CB 3.5Å; K157-C161 PolarHBondContact O-N 3.3Å
158	E	96.8	Very high	96.7	Very high	61 Å²	61	54.9 Å²	54.9	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-68.7	-44.4	178.6	-69.3	169.6	113.3	0	0	111.3	L154 S155 C161 V162 Y244	L154-E158 HydrophobicContact CB-CB 4.35Å; L154-E158 HydrophobicContact CD2-CB 4.09Å; S155-E158 WeakPolarHBondContact CB-OE2 3.38Å; S155-E158 PolarHBondContact N-OE2 3.45Å; S155-E158 PolarHBondContact O-N 2.94Å; S155-E158 VanDerWaalsContact O-N 3.14Å; S155-E158 VanDerWaalsContact OG-CG 3.3Å; S155-E158 WeakPolarHBondContact OG-CG 3.48Å; S155-E158 PolarHBondContact OG-OE2 3.49Å; E158-C161 WeakPolarHBondContact O-CB 3.41Å; E158-C161 PolarHBondContact O-N 3.38Å; E158-V162 WeakPolarHBondContact O-CG2 3.43Å; E158-V162 PolarHBondContact O-N 3.46Å; E158-Y244 HydrophobicContact CB-CE1 4Å; E158-Y244 WeakPolarHBondContact CB-OH 3.45Å; E158-Y244 HydrophobicContact CG-CE1 3.99Å; E158-Y244 HydrophobicContact CG-CE2 4.24Å; E158-Y244 VanDerWaalsContact CG-OH 3.23Å; E158-Y244 WeakPolarHBondContact CG-OH 3.46Å; E158-Y244 PolarHBondContact OE1-OH 2.95Å
159	L	96.8	Very high	96.7	Very high	14 Å²	14	52.1 Å²	52.1	7%	0.073	27%	0.265	C	S	.	.	H	α-helix	trans	-58	-50.5	176.8	-178.5	61	0	0	0	111.2	P79 C81 L154 S155 C161 V162 E163 L231	P79-L159 HydrophobicContact CB-CD1 4.09Å; P79-L159 WeakPolarHBondContact O-CD2 3.39Å; C81-L159 HydrophobicContact CB-CD2 4.45Å; L154-L159 HydrophobicContact CB-CB 4.33Å; L154-L159 HydrophobicContact CD1-CD1 4.16Å; S155-L159 WeakPolarHBondContact O-CB 3.29Å; S155-L159 PolarHBondContact O-N 3.38Å; L159-C161 VanDerWaalsContact C-N 3.27Å; L159-C161 PolarHBondContact O-N 2.93Å; L159-V162 PolarHBondContact O-N 2.87Å; L159-V162 VanDerWaalsContact O-N 3.12Å; L159-E163 HydrophobicContact CD1-CG 4.17Å; L159-E163 HydrophobicContact CG-CG 4.33Å; L159-E163 WeakPolarHBondContact O-CB 3.49Å; L159-E163 WeakPolarHBondContact O-CG 3.12Å; L159-E163 PolarHBondContact O-N 3.49Å; L159-L231 HydrophobicContact CD1-CD1 4.06Å
160	K	96.8	Very high	96.7	Very high	109 Å²	109	50 Å²	50	47%	0.474	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-35.6	176.7	-73.7	176.4	-174.4	172.9	0	113.3	E156 S164	E156-K160 HydrophobicContact CG-CD 4.49Å; E156-K160 WeakPolarHBondContact O-CG 3.4Å; E156-K160 PolarHBondContact O-N 2.63Å; E156-K160 VanDerWaalsContact O-N 3.1Å; E156-K160 VanDerWaalsContact OE1-CE 3.31Å; E156-K160 WeakPolarHBondContact OE1-CE 3.24Å; E156-K160 IonicContact OE1-NZ 2.65Å; E156-K160 PolarHBondContact OE1-NZ 3.3Å; K160-S164 VanDerWaalsContact O-CB 3.29Å; K160-S164 WeakPolarHBondContact O-CB 3.22Å; K160-S164 PolarHBondContact O-N 3.47Å; K160-S164 PolarHBondContact O-OG 3.1Å
161	C	97.6	Very high	96.6	Very high	29 Å²	29	50.6 Å²	50.6	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-46.6	175.1	-174.1	0	0	0	0	111.2	K157 E158 L159 S164 A165	K157-C161 WeakPolarHBondContact O-CB 3.5Å; K157-C161 PolarHBondContact O-N 3.3Å; E158-C161 WeakPolarHBondContact O-CB 3.41Å; E158-C161 PolarHBondContact O-N 3.38Å; L159-C161 VanDerWaalsContact C-N 3.27Å; L159-C161 PolarHBondContact O-N 2.93Å; C161-S164 PolarHBondContact O-N 2.96Å; C161-A165 WeakPolarHBondContact O-CB 3.45Å; C161-A165 PolarHBondContact O-N 3.08Å
162	V	97.7	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-43.2	177.5	171.4	0	0	0	0	112	L119 E158 L159 A165 H166 L231 V242 Y244 L247	L119-V162 HydrophobicContact CD1-CG1 3.75Å; E158-V162 WeakPolarHBondContact O-CG2 3.43Å; E158-V162 PolarHBondContact O-N 3.46Å; L159-V162 PolarHBondContact O-N 2.87Å; L159-V162 VanDerWaalsContact O-N 3.12Å; V162-A165 PolarHBondContact O-N 3.36Å; V162-H166 WeakPolarHBondContact O-CB 3.42Å; V162-H166 PolarHBondContact O-N 3.39Å; V162-L231 HydrophobicContact CG1-CB 4.11Å; V162-L231 HydrophobicContact CG1-CD1 3.97Å; V162-V242 HydrophobicContact CG2-CG1 3.95Å; V162-Y244 HydrophobicContact CG2-CE1 4.35Å; V162-L247 HydrophobicContact CG2-CD1 4.04Å
163	E	97.3	Very high	96.4	Very high	55 Å²	55	42.2 Å²	42.2	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-61.2	-48.2	175.3	-71.9	172	151.9	0	0	111.3	L159 A165 H166 H167 L231	L159-E163 HydrophobicContact CD1-CG 4.17Å; L159-E163 HydrophobicContact CG-CG 4.33Å; L159-E163 WeakPolarHBondContact O-CB 3.49Å; L159-E163 WeakPolarHBondContact O-CG 3.12Å; L159-E163 PolarHBondContact O-N 3.49Å; E163-A165 VanDerWaalsContact C-N 3.33Å; E163-A165 PolarHBondContact O-N 2.85Å; E163-H166 WeakPolarHBondContact O-CB 3.37Å; E163-H166 PolarHBondContact O-N 3.4Å; E163-H167 PolarHBondContact O-CD2 2.9Å; E163-H167 PolarHBondContact O-N 3.07Å; E163-H167 VanDerWaalsContact O-N 3.12Å; E163-L231 HydrophobicContact CG-CD1 3.89Å; E163-L231 HydrophobicContact CG-CD2 4.47Å
164	S	97.7	Very high	96.1	Very high	55 Å²	55	39 Å²	39	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-58.8	-45.3	177.2	-57.6	0	0	0	0	111.2	K160 C161 H167 V168	K160-S164 VanDerWaalsContact O-CB 3.29Å; K160-S164 WeakPolarHBondContact O-CB 3.22Å; K160-S164 PolarHBondContact O-N 3.47Å; K160-S164 PolarHBondContact O-OG 3.1Å; C161-S164 PolarHBondContact O-N 2.96Å; S164-H167 PolarHBondContact O-N 3.18Å; S164-V168 PolarHBondContact O-N 3.45Å
165	A	97.9	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-72	-32.2	179.8	0	0	0	0	0	112.3	C161 V162 E163 H167 V168 I169 L247 L251	C161-A165 WeakPolarHBondContact O-CB 3.45Å; C161-A165 PolarHBondContact O-N 3.08Å; V162-A165 PolarHBondContact O-N 3.36Å; E163-A165 VanDerWaalsContact C-N 3.33Å; E163-A165 PolarHBondContact O-N 2.85Å; A165-H167 VanDerWaalsContact C-N 3.33Å; A165-H167 PolarHBondContact O-N 3.47Å; A165-V168 PolarHBondContact O-N 2.8Å; A165-I169 WeakPolarHBondContact O-CB 3.43Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.2Å; A165-I169 PolarHBondContact O-N 2.6Å; A165-L247 HydrophobicContact CB-CB 4.29Å; A165-L247 HydrophobicContact CB-CD1 4.32Å; A165-L247 HydrophobicContact CB-CD2 3.76Å; A165-L247 HydrophobicContact CB-CG 4.33Å; A165-L251 HydrophobicContact CB-CD2 4.35Å; A165-L251 HydrophobicContact CB-CG 4.38Å
166	H	97.9	Very high	95.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-40.3	173.7	167.3	53.6	0	0	0	111.7	V162 E163 V168 I169 A170 L231 V232 P619	V162-H166 WeakPolarHBondContact O-CB 3.42Å; V162-H166 PolarHBondContact O-N 3.39Å; E163-H166 WeakPolarHBondContact O-CB 3.37Å; E163-H166 PolarHBondContact O-N 3.4Å; H166-V168 PolarHBondContact O-N 2.81Å; H166-I169 PolarHBondContact O-N 2.78Å; H166-A170 VanDerWaalsContact O-CB 3.28Å; H166-A170 WeakPolarHBondContact O-CB 3.4Å; H166-A170 PolarHBondContact O-N 3.23Å; H166-L231 HydrophobicContact CB-CB 4.46Å; H166-L231 HydrophobicContact CB-CD2 4.31Å; H166-L231 WeakPolarHBondContact CD2-CD2 3.46Å; H166-V232 PolarHBondContact ND1-N 2.82Å; H166-P619 PolarHBondContact CE1-O 3.36Å; H166-P619 PolarHBondContact NE2-O 3.11Å
167	H	96.7	Very high	94.9	Very high	70 Å²	70	34.2 Å²	34.2	32%	0.324	17%	0.169	S	C	.	.	H	α-helix	trans	-59.4	-45.6	173.2	-68.9	-64.7	0	0	0	112	E163 S164 A165 A170 E171 F221 Y621	E163-H167 PolarHBondContact O-CD2 2.9Å; E163-H167 PolarHBondContact O-N 3.07Å; E163-H167 VanDerWaalsContact O-N 3.12Å; S164-H167 PolarHBondContact O-N 3.18Å; A165-H167 VanDerWaalsContact C-N 3.33Å; A165-H167 PolarHBondContact O-N 3.47Å; H167-A170 PolarHBondContact O-N 3Å; H167-E171 PolarHBondContact O-N 2.69Å; H167-E171 VanDerWaalsContact O-N 3.11Å; H167-F221 AromaticContact CE1-CD2 3.45Å; H167-F221 VanDerWaalsContact CE1-CD2 3.45Å; H167-F221 WeakPolarHBondContact CE1-CD2 3.34Å; H167-F221 AromaticContact CE1-CE2 3.68Å; H167-F221 AromaticContact CE1-CG 3.83Å; H167-F221 AromaticContact ND1-CD2 3.93Å; H167-Y621 AromaticContact ND1-CZ 3.84Å; H167-Y621 PolarHBondContact ND1-OH 3.27Å
168	V	96.4	Very high	94.3	Very high	9 Å²	9	27.6 Å²	27.6	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-42.8	177.1	-176	0	0	0	0	111.3	S164 A165 H166 A170 E171 L172 L250 L251 W253	S164-V168 PolarHBondContact O-N 3.45Å; A165-V168 PolarHBondContact O-N 2.8Å; H166-V168 PolarHBondContact O-N 2.81Å; V168-A170 VanDerWaalsContact C-N 3.35Å; V168-E171 PolarHBondContact O-N 3.48Å; V168-L172 HydrophobicContact CG1-CD1 4.19Å; V168-L172 WeakPolarHBondContact O-CB 3.49Å; V168-L172 VanDerWaalsContact O-CG 3.29Å; V168-L172 WeakPolarHBondContact O-CG 3.33Å; V168-L172 PolarHBondContact O-N 3.22Å; V168-L250 HydrophobicContact CB-CG 4.5Å; V168-L250 HydrophobicContact CG1-CD1 4.05Å; V168-L250 HydrophobicContact CG1-CD2 4.3Å; V168-L250 HydrophobicContact CG1-CG 3.93Å; V168-L251 HydrophobicContact CG2-CD2 4.23Å; V168-W253 HydrophobicContact CG1-CE3 4.09Å; V168-W253 HydrophobicContact CG1-CZ3 3.77Å
169	I	97.4	Very high	93.5	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-37.9	177.1	-69.2	162.3	0	0	0	111	A165 H166 L172 I173 V232 L234 L250	A165-I169 WeakPolarHBondContact O-CB 3.43Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.2Å; A165-I169 PolarHBondContact O-N 2.6Å; H166-I169 PolarHBondContact O-N 2.78Å; I169-L172 PolarHBondContact O-N 3.43Å; I169-I173 HydrophobicContact CG2-CD1 3.53Å; I169-I173 HydrophobicContact CG2-CG1 4.11Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.94Å; I169-V232 HydrophobicContact CG2-CB 4.03Å; I169-V232 HydrophobicContact CG2-CG1 3.7Å; I169-L234 HydrophobicContact CD1-CG 4.41Å; I169-L250 HydrophobicContact CD1-CD2 4.13Å; I169-L250 HydrophobicContact CG1-CD2 3.69Å
170	A	96.1	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-42.5	177.3	0	0	0	0	0	112.2	H166 H167 V168 I173 T174 F216 P618 Y621	H166-A170 VanDerWaalsContact O-CB 3.28Å; H166-A170 WeakPolarHBondContact O-CB 3.4Å; H166-A170 PolarHBondContact O-N 3.23Å; H167-A170 PolarHBondContact O-N 3Å; V168-A170 VanDerWaalsContact C-N 3.35Å; A170-I173 PolarHBondContact O-N 3.11Å; A170-T174 PolarHBondContact O-N 3.33Å; A170-T174 VanDerWaalsContact O-N 3.11Å; A170-T174 PolarHBondContact O-OG1 3.4Å; A170-F216 HydrophobicContact CB-CE2 3.95Å; A170-F216 HydrophobicContact CB-CZ 4.32Å; A170-P618 HydrophobicContact CB-CB 3.71Å; A170-P618 HydrophobicContact CB-CG 4.24Å; A170-Y621 HydrophobicContact CB-CD2 4.1Å; A170-Y621 HydrophobicContact CB-CE2 3.44Å; A170-Y621 VanDerWaalsContact CB-CE2 3.44Å
171	E	93.4	Very high	92.2	Very high	30 Å²	30	21 Å²	21	14%	0.14	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-51.7	171.7	-172.2	-169.3	162.4	0	0	110.6	H167 V168 I173 T174 N175 F216 R257	H167-E171 PolarHBondContact O-N 2.69Å; H167-E171 VanDerWaalsContact O-N 3.11Å; V168-E171 PolarHBondContact O-N 3.48Å; E171-I173 PolarHBondContact O-N 2.93Å; E171-T174 WeakPolarHBondContact O-CB 3.17Å; E171-T174 PolarHBondContact O-N 3.4Å; E171-T174 VanDerWaalsContact O-N 3.16Å; E171-N175 PolarHBondContact O-N 3.49Å; E171-F216 HydrophobicContact CB-CD1 3.79Å; E171-F216 HydrophobicContact CB-CD2 4.19Å; E171-F216 HydrophobicContact CB-CE1 3.67Å; E171-F216 HydrophobicContact CB-CE2 4.1Å; E171-F216 HydrophobicContact CB-CG 4.01Å; E171-F216 HydrophobicContact CB-CZ 3.8Å; E171-F216 HydrophobicContact CG-CB 4.26Å; E171-F216 HydrophobicContact CG-CD1 3.64Å; E171-F216 HydrophobicContact CG-CE1 4Å; E171-F216 HydrophobicContact CG-CG 3.9Å; E171-R257 IonicContact OE1-CZ 3.29Å; E171-R257 IonicContact OE1-NH1 2.73Å; E171-R257 PolarHBondContact OE1-NH1 3.5Å; E171-R257 IonicContact OE1-NH2 3.56Å; E171-R257 IonicContact OE2-CZ 2.66Å; E171-R257 IonicContact OE2-NH1 3.34Å; E171-R257 PolarHBondContact OE2-NH1 2.89Å; E171-R257 IonicContact OE2-NH2 3.84Å; E171-R257 PolarHBondContact OE2-NH2 3.01Å
172	L	93.7	Very high	91.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-58.5	-43	179.1	-71.4	174	0	0	0	112	V168 I169 T174 N175 I176 H181 L250 W253 P412 L413	V168-L172 HydrophobicContact CG1-CD1 4.19Å; V168-L172 WeakPolarHBondContact O-CB 3.49Å; V168-L172 VanDerWaalsContact O-CG 3.29Å; V168-L172 WeakPolarHBondContact O-CG 3.33Å; V168-L172 PolarHBondContact O-N 3.22Å; I169-L172 PolarHBondContact O-N 3.43Å; L172-T174 VanDerWaalsContact C-N 3.34Å; L172-T174 PolarHBondContact O-N 2.95Å; L172-N175 CarbonylContact O-C 3.56Å; L172-I176 WeakPolarHBondContact O-CA 3.44Å; L172-I176 WeakPolarHBondContact O-CB 3.46Å; L172-I176 PolarHBondContact O-N 2.73Å; L172-H181 HydrophobicContact CD2-CB 4.47Å; L172-H181 WeakPolarHBondContact CD2-ND1 3.37Å; L172-L250 HydrophobicContact CD1-CD1 3.99Å; L172-W253 HydrophobicContact CD2-CH2 3.98Å; L172-W253 HydrophobicContact CD2-CZ3 4.36Å; L172-P412 HydrophobicContact CD2-CG 4.48Å; L172-L413 HydrophobicContact CD1-CD1 4.31Å; L172-L413 HydrophobicContact CD1-CD2 4.26Å; L172-L413 HydrophobicContact CD1-CG 4.43Å
173	I	93.5	Very high	90.5	Very high	11 Å²	11	19.7 Å²	19.7	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-38.1	178.8	-65.8	162	0	0	0	111.3	I169 A170 E171 N175 V232 V421 V424 P425 F616	I169-I173 HydrophobicContact CG2-CD1 3.53Å; I169-I173 HydrophobicContact CG2-CG1 4.11Å; I169-I173 WeakPolarHBondContact O-CG1 3.48Å; I169-I173 PolarHBondContact O-N 2.94Å; A170-I173 PolarHBondContact O-N 3.11Å; E171-I173 PolarHBondContact O-N 2.93Å; I173-N175 VanDerWaalsContact C-N 3.27Å; I173-N175 PolarHBondContact O-N 3.28Å; I173-V232 HydrophobicContact CD1-CG1 4.27Å; I173-V421 HydrophobicContact CD1-CG1 4.47Å; I173-V421 HydrophobicContact CG1-CG1 3.46Å; I173-V421 VanDerWaalsContact CG1-CG1 3.46Å; I173-V424 HydrophobicContact CD1-CB 3.98Å; I173-V424 HydrophobicContact CD1-CG1 3.84Å; I173-V424 HydrophobicContact CD1-CG2 4.12Å; I173-V424 HydrophobicContact CG1-CB 4.4Å; I173-V424 HydrophobicContact CG2-CB 4.4Å; I173-P425 HydrophobicContact CG2-CG 3.57Å; I173-F616 HydrophobicContact CB-CE1 4.39Å; I173-F616 HydrophobicContact CG2-CD1 4.05Å; I173-F616 HydrophobicContact CG2-CE1 3.37Å; I173-F616 HydrophobicContact CG2-CZ 4.03Å
174	T	90	Very high	89.1	Confident	21 Å²	21	19.7 Å²	19.7	13%	0.129	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-38.2	-176.8	-57.6	0	0	0	0	111.9	A170 E171 L172 R215 F216 L219 P618	A170-T174 PolarHBondContact O-N 3.33Å; A170-T174 VanDerWaalsContact O-N 3.11Å; A170-T174 PolarHBondContact O-OG1 3.4Å; E171-T174 WeakPolarHBondContact O-CB 3.17Å; E171-T174 PolarHBondContact O-N 3.4Å; E171-T174 VanDerWaalsContact O-N 3.16Å; L172-T174 VanDerWaalsContact C-N 3.34Å; L172-T174 PolarHBondContact O-N 2.95Å; T174-R215 HydrophobicContact CG2-CB 4.08Å; T174-F216 HydrophobicContact CG2-CB 4.23Å; T174-F216 HydrophobicContact CG2-CD2 4.46Å; T174-L219 HydrophobicContact CG2-CD1 4.41Å; T174-P618 WeakPolarHBondContact OG1-CG 3.47Å
175	N	86.1	Confident	87	Confident	60 Å²	60	21.9 Å²	21.9	32%	0.321	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151.5	76.7	169.6	-170.5	-4	0	0	0	112.3	E171 L172 I173 A177 H178 H181	E171-N175 PolarHBondContact O-N 3.49Å; L172-N175 CarbonylContact O-C 3.56Å; I173-N175 VanDerWaalsContact C-N 3.27Å; I173-N175 PolarHBondContact O-N 3.28Å; N175-A177 PolarHBondContact O-N 2.98Å; N175-H178 HydrophobicContact CB-CB 4.02Å; N175-H178 VanDerWaalsContact O-CB 3.24Å; N175-H178 WeakPolarHBondContact O-CB 3.38Å; N175-H178 PolarHBondContact O-N 3.49Å; N175-H178 PolarHBondContact OD1-N 3Å; N175-H181 PolarHBondContact O-CE1 3.07Å
176	I	90.2	Very high	84.6	Confident	5 Å²	5	25 Å²	25	3%	0.026	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-9	-172.8	-158.4	-172.9	0	0	0	114.9	L172 Q382 H411 L413 W418 V421	L172-I176 WeakPolarHBondContact O-CA 3.44Å; L172-I176 WeakPolarHBondContact O-CB 3.46Å; L172-I176 PolarHBondContact O-N 2.73Å; I176-Q382 HydrophobicContact CG2-CG 4.37Å; I176-Q382 VanDerWaalsContact CG2-NE2 3.27Å; I176-H411 PolarHBondContact O-NE2 3.46Å; I176-L413 HydrophobicContact CD1-CD1 4.25Å; I176-W418 HydrophobicContact CB-CZ2 4.42Å; I176-W418 HydrophobicContact CD1-CD2 3.84Å; I176-W418 HydrophobicContact CD1-CE3 4.47Å; I176-W418 HydrophobicContact CD1-CG 3.87Å; I176-W418 HydrophobicContact CD1-CZ2 4.34Å; I176-W418 WeakPolarHBondContact CD1-O 3.36Å; I176-W418 HydrophobicContact CG1-CD2 4.45Å; I176-W418 HydrophobicContact CG1-CG 4.47Å; I176-W418 HydrophobicContact CG1-CZ2 4.35Å; I176-W418 HydrophobicContact CG2-CH2 3.97Å; I176-W418 HydrophobicContact CG2-CZ2 3.58Å; I176-W418 PolarHBondContact O-NE1 3.2Å; I176-W418 VanDerWaalsContact O-NE1 3.16Å; I176-V421 HydrophobicContact CD1-CB 3.72Å; I176-V421 HydrophobicContact CD1-CG1 3.58Å; I176-V421 HydrophobicContact CG1-CG1 4.23Å
177	A	87.1	Confident	81.9	Confident	3 Å²	3	28.5 Å²	28.5	3%	0.025	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	11.1	174.7	0	0	0	0	0	113.5	N175 P309 M311 T379 W418	N175-A177 PolarHBondContact O-N 2.98Å; A177-P309 HydrophobicContact CB-CB 3.78Å; A177-M311 HydrophobicContact CB-CG 4.31Å; A177-M311 WeakPolarHBondContact O-CE 3.43Å; A177-T379 HydrophobicContact CB-CG2 4.18Å; A177-W418 HydrophobicContact CB-CZ2 4.48Å
178	H	84	Confident	79.5	Confident	42 Å²	42	26.9 Å²	26.9	19%	0.194	15%	0.145	C	C	.	.			trans	-65.4	139.3	180	-165.4	-112.4	0	0	0	111.9	N175 S180 H181	N175-H178 HydrophobicContact CB-CB 4.02Å; N175-H178 VanDerWaalsContact O-CB 3.24Å; N175-H178 WeakPolarHBondContact O-CB 3.38Å; N175-H178 PolarHBondContact O-N 3.49Å; N175-H178 PolarHBondContact OD1-N 3Å; H178-S180 VanDerWaalsContact C-N 3.29Å; H178-S180 WeakPolarHBondContact ND1-CB 3.19Å; H178-S180 PolarHBondContact ND1-N 2.98Å; H178-S180 PolarHBondContact ND1-OG 3Å; H178-S180 PolarHBondContact O-N 2.99Å; H178-H181 WeakPolarHBondContact O-CB 3.42Å; H178-H181 PolarHBondContact O-N 3.43Å
179	M	79.6	Confident	77	Confident	24 Å²	24	31.1 Å²	31.1	12%	0.118	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-74.9	-18.4	-170	-59.5	-176.8	57.6	0	0	113.7	H181 V182 G183 Y184 D306	M179-H181 PolarHBondContact O-N 3.04Å; M179-V182 VanDerWaalsContact O-CG2 3.23Å; M179-V182 WeakPolarHBondContact O-CG2 3.37Å; M179-V182 PolarHBondContact O-N 3.15Å; M179-G183 PolarHBondContact O-N 3.09Å; M179-Y184 CarbonylContact C-O 3.39Å; M179-Y184 HydrophobicContact CE-CD2 3.75Å; M179-Y184 HydrophobicContact CE-CE2 4.37Å; M179-Y184 HydrophobicContact CE-CG 3.89Å; M179-Y184 PolarHBondContact O-N 3.44Å; M179-Y184 VanDerWaalsContact O-N 3.08Å; M179-D306 HydrophobicContact CE-CB 4.24Å; M179-D306 WeakPolarHBondContact CE-OD1 3.46Å; M179-D306 WeakPolarHBondContact SD-CA 3.47Å; M179-D306 HydrophobicContact SD-CB 3.85Å; M179-D306 VanDerWaalsContact SD-O 3.34Å
180	S	79.6	Confident	74.3	Confident	19 Å²	19	36.9 Å²	36.9	13%	0.133	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-62.1	-24	171.8	69	0	0	0	0	112.2	H178 V182 Y184 W282	H178-S180 VanDerWaalsContact C-N 3.29Å; H178-S180 WeakPolarHBondContact ND1-CB 3.19Å; H178-S180 PolarHBondContact ND1-N 2.98Å; H178-S180 PolarHBondContact ND1-OG 3Å; H178-S180 PolarHBondContact O-N 2.99Å; S180-V182 VanDerWaalsContact C-N 3.29Å; S180-V182 PolarHBondContact O-N 2.86Å; S180-Y184 WeakPolarHBondContact CA-O 3.3Å; S180-Y184 PolarHBondContact N-O 2.91Å; S180-Y184 VanDerWaalsContact N-O 3.09Å; S180-W282 PolarHBondContact O-NE1 3.37Å
181	H	86.8	Confident	71.6	Confident	3 Å²	3	40.4 Å²	40.4	1%	0.014	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-71.6	-24.7	-178.7	-55.1	166.2	0	0	0	112.9	L172 N175 H178 M179 W253 H411	L172-H181 HydrophobicContact CD2-CB 4.47Å; L172-H181 WeakPolarHBondContact CD2-ND1 3.37Å; N175-H181 PolarHBondContact O-CE1 3.07Å; H178-H181 WeakPolarHBondContact O-CB 3.42Å; H178-H181 PolarHBondContact O-N 3.43Å; M179-H181 PolarHBondContact O-N 3.04Å; H181-W253 HydrophobicContact CB-CH2 4.44Å; H181-W253 HydrophobicContact CB-CZ2 4.12Å; H181-W253 WeakPolarHBondContact O-CZ2 3.33Å; H181-H411 AromaticContact ND1-NE2 3.85Å
182	V	84.9	Confident	69	Low	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-19.9	-177.8	-67.3	0	0	0	0	113.9	M179 S180 Y184 R283 K300 M311 L409 H411	M179-V182 VanDerWaalsContact O-CG2 3.23Å; M179-V182 WeakPolarHBondContact O-CG2 3.37Å; M179-V182 PolarHBondContact O-N 3.15Å; S180-V182 VanDerWaalsContact C-N 3.29Å; S180-V182 PolarHBondContact O-N 2.86Å; V182-Y184 HydrophobicContact CG2-CD2 4.33Å; V182-R283 WeakPolarHBondContact O-CA 3.22Å; V182-K300 HydrophobicContact CB-CB 4.35Å; V182-K300 HydrophobicContact CG1-CB 4.16Å; V182-K300 HydrophobicContact CG2-CB 3.93Å; V182-K300 HydrophobicContact CG2-CG 4.2Å; V182-M311 HydrophobicContact CG1-CE 4.02Å; V182-M311 HydrophobicContact CG1-SD 4.28Å; V182-L409 HydrophobicContact CB-CB 3.99Å; V182-L409 WeakPolarHBondContact O-CD1 3.27Å; V182-H411 HydrophobicContact CG1-CB 3.9Å
183	G	73.3	Confident	66.7	Low	2 Å²	2	48.8 Å²	48.8	2%	0.021	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	149	-15.3	176.7	0	0	0	0	0	116.8	M179 W282	M179-G183 PolarHBondContact O-N 3.09Å; G183-W282 VanDerWaalsContact CA-CZ2 3.43Å
184	Y	67.7	Low	64.2	Low	54 Å²	54	53.3 Å²	53.3	21%	0.212	28%	0.28	C	S	.	.			trans	-98.1	115.7	-173.2	-69.6	-78.2	0	0	0	111	M179 S180 V182 N302 L409	M179-Y184 CarbonylContact C-O 3.39Å; M179-Y184 HydrophobicContact CE-CD2 3.75Å; M179-Y184 HydrophobicContact CE-CE2 4.37Å; M179-Y184 HydrophobicContact CE-CG 3.89Å; M179-Y184 PolarHBondContact O-N 3.44Å; M179-Y184 VanDerWaalsContact O-N 3.08Å; S180-Y184 WeakPolarHBondContact CA-O 3.3Å; S180-Y184 PolarHBondContact N-O 2.91Å; S180-Y184 VanDerWaalsContact N-O 3.09Å; V182-Y184 HydrophobicContact CG2-CD2 4.33Å; Y184-N302 VanDerWaalsContact OH-CB 3.27Å; Y184-N302 WeakPolarHBondContact OH-CB 3.31Å; Y184-N302 PolarHBondContact OH-OD1 2.89Å; Y184-N302 VanDerWaalsContact OH-OD1 3.13Å; Y184-L409 HydrophobicContact CD2-CD1 3.91Å; Y184-L409 HydrophobicContact CE2-CD1 3.45Å; Y184-L409 VanDerWaalsContact CE2-CD1 3.45Å
185	K	55	Low	61.7	Low	101 Å²	101	56.9 Å²	56.9	44%	0.439	29%	0.294	S	S	.	.			trans	-81.7	143.5	170.5	-71.5	-173.6	174.8	-177.2	0	109.4	S187 D188	K185-S187 PolarHBondContact O-N 2.83Å; K185-D188 WeakPolarHBondContact O-CB 3.26Å; K185-D188 PolarHBondContact O-N 3.07Å
186	P	46.1	Very low	59.7	Low	67 Å²	67	58.7 Å²	58.7	44%	0.435	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.3	170	23.6	-33.7	0	0	0	113.4	L212	P186-L212 HydrophobicContact CB-CB 3.51Å; P186-L212 HydrophobicContact CB-CD1 3.45Å; P186-L212 VanDerWaalsContact CB-CD1 3.45Å; P186-L212 HydrophobicContact CB-CG 4.07Å
187	S	42.9	Very low	57.7	Low	72 Å²	72	68.8 Å²	68.8	50%	0.503	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	27.4	173.3	70.2	0	0	0	0	113.9	K185	K185-S187 PolarHBondContact O-N 2.83Å
188	D	45.7	Very low	55.5	Low	37 Å²	37	74.5 Å²	74.5	20%	0.198	37%	0.367	C	S	.	.			trans	-57.3	126	-174.7	-161	-62.7	0	0	0	111.2	K185 L190 L191 R192	K185-D188 WeakPolarHBondContact O-CB 3.26Å; K185-D188 PolarHBondContact O-N 3.07Å; D188-L190 PolarHBondContact O-N 3.07Å; D188-L190 PolarHBondContact OD1-N 3.48Å; D188-L190 VanDerWaalsContact OD1-N 3.16Å; D188-L191 PolarHBondContact O-N 2.81Å; D188-R192 PolarHBondContact O-N 3.01Å
189	P	43.4	Very low	53.1	Low	97 Å²	97	77.2 Å²	77.2	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-55.3	-23.4	-176.9	-28.7	35.9	0	0	0	114.9	A193	P189-A193 WeakPolarHBondContact O-CB 3.32Å; P189-A193 PolarHBondContact O-N 3.14Å
190	L	40.9	Very low	51.2	Low	125 Å²	125	80.5 Å²	80.5	65%	0.654	41%	0.414	S	S	*	.	H	α-helix	trans	-68.5	-36	176.1	-72.6	169.6	0	0	0	112.7	D188 H194	D188-L190 PolarHBondContact O-N 3.07Å; D188-L190 PolarHBondContact OD1-N 3.48Å; D188-L190 VanDerWaalsContact OD1-N 3.16Å; L190-H194 WeakPolarHBondContact O-CB 3.37Å; L190-H194 PolarHBondContact O-N 3.25Å
191	L	39.3	Very low	48.9	Very low	74 Å²	74	83.8 Å²	83.8	39%	0.387	44%	0.437	S	S	.	.	H	α-helix	trans	-77	-39.6	-180	-135.3	144.3	0	0	0	110.2	D188 H194 F195	D188-L191 PolarHBondContact O-N 2.81Å; L191-H194 PolarHBondContact O-N 2.84Å; L191-F195 HydrophobicContact CD2-CD2 4Å; L191-F195 HydrophobicContact CD2-CE2 3.57Å; L191-F195 VanDerWaalsContact O-CD2 3.31Å; L191-F195 WeakPolarHBondContact O-CD2 3.5Å; L191-F195 PolarHBondContact O-N 3.26Å; L191-F195 VanDerWaalsContact O-N 3.17Å
192	R	39.3	Very low	46.5	Very low	172 Å²	172	89.7 Å²	89.7	65%	0.649	47%	0.474	S	S	*	.	H	α-helix	trans	-64.3	-49.2	171.1	-138	175.3	-168	158.3	3.3	111.6	D188 H194 F195 D196	D188-R192 PolarHBondContact O-N 3.01Å; R192-H194 PolarHBondContact O-N 2.94Å; R192-F195 PolarHBondContact O-N 2.9Å; R192-F195 VanDerWaalsContact O-N 3.15Å; R192-D196 VanDerWaalsContact O-CB 3.32Å; R192-D196 WeakPolarHBondContact O-CB 3.45Å; R192-D196 PolarHBondContact O-N 3.36Å
193	A	44.7	Very low	44.4	Very low	35 Å²	35	97.2 Å²	97.2	29%	0.289	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-23.6	176.1	0	0	0	0	0	113.6	P189 R197	P189-A193 WeakPolarHBondContact O-CB 3.32Å; P189-A193 PolarHBondContact O-N 3.14Å; A193-R197 WeakPolarHBondContact O-CB 3.3Å; A193-R197 WeakPolarHBondContact O-CD 3.34Å; A193-R197 WeakPolarHBondContact O-CG 3.21Å; A193-R197 PolarHBondContact O-N 2.95Å
194	H	40.8	Very low	42.7	Very low	107 Å²	107	101.8 Å²	101.8	50%	0.495	54%	0.537	S	S	.	.	H	α-helix	trans	-70.6	-48.8	171	-172.1	73.7	0	0	0	111.3	L190 L191 R192 R197 Q198	L190-H194 WeakPolarHBondContact O-CB 3.37Å; L190-H194 PolarHBondContact O-N 3.25Å; L191-H194 PolarHBondContact O-N 2.84Å; R192-H194 PolarHBondContact O-N 2.94Å; H194-R197 PolarHBondContact O-N 2.63Å; H194-Q198 PolarHBondContact NE2-NE2 2.95Å; H194-Q198 PolarHBondContact O-N 3.4Å; H194-Q198 VanDerWaalsContact O-N 3.14Å
195	F	38.9	Very low	41.4	Very low	96 Å²	96	103 Å²	103	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-67.1	-40.8	175.5	-76.3	-61.2	0	0	0	112.7	L191 R192 R197 Q198 N199	L191-F195 HydrophobicContact CD2-CD2 4Å; L191-F195 HydrophobicContact CD2-CE2 3.57Å; L191-F195 VanDerWaalsContact O-CD2 3.31Å; L191-F195 WeakPolarHBondContact O-CD2 3.5Å; L191-F195 PolarHBondContact O-N 3.26Å; L191-F195 VanDerWaalsContact O-N 3.17Å; R192-F195 PolarHBondContact O-N 2.9Å; R192-F195 VanDerWaalsContact O-N 3.15Å; F195-R197 VanDerWaalsContact C-N 3.34Å; F195-R197 PolarHBondContact O-N 2.89Å; F195-Q198 CarbonylContact O-C 3.42Å; F195-Q198 PolarHBondContact O-N 2.83Å; F195-Q198 VanDerWaalsContact O-N 3.08Å; F195-N199 VanDerWaalsContact O-CG 3.29Å; F195-N199 PolarHBondContact O-N 3.43Å; F195-N199 PolarHBondContact O-ND2 3.17Å
196	D	43.7	Very low	40.7	Very low	97 Å²	97	105.2 Å²	105.2	52%	0.519	56%	0.563	S	S	.	*	H	α-helix	trans	-67.4	-32.1	177.8	-64.5	-29.4	0	0	0	112	R192	R192-D196 VanDerWaalsContact O-CB 3.32Å; R192-D196 WeakPolarHBondContact O-CB 3.45Å; R192-D196 PolarHBondContact O-N 3.36Å
197	R	47.8	Very low	40.2	Very low	218 Å²	218	107.2 Å²	107.2	82%	0.823	58%	0.579	S	S	*	*	H	α-helix	trans	-74.1	-22.9	170.3	-75.8	173.8	-172.1	-170.1	4.5	113.6	A193 H194 F195	A193-R197 WeakPolarHBondContact O-CB 3.3Å; A193-R197 WeakPolarHBondContact O-CD 3.34Å; A193-R197 WeakPolarHBondContact O-CG 3.21Å; A193-R197 PolarHBondContact O-N 2.95Å; H194-R197 PolarHBondContact O-N 2.63Å; F195-R197 VanDerWaalsContact C-N 3.34Å; F195-R197 PolarHBondContact O-N 2.89Å
198	Q	40.2	Very low	39.7	Very low	122 Å²	122	109.5 Å²	109.5	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-88.9	-13.6	173.4	-72.8	-168.3	3	0	0	113.3	H194 F195 A200	H194-Q198 PolarHBondContact NE2-NE2 2.95Å; H194-Q198 PolarHBondContact O-N 3.4Å; H194-Q198 VanDerWaalsContact O-N 3.14Å; F195-Q198 CarbonylContact O-C 3.42Å; F195-Q198 PolarHBondContact O-N 2.83Å; F195-Q198 VanDerWaalsContact O-N 3.08Å; Q198-A200 PolarHBondContact O-N 3.04Å
199	N	34.9	Very low	39.2	Very low	99 Å²	99	115.9 Å²	115.9	53%	0.529	61%	0.606	S	S	.	*			trans	-74.9	47.7	174.8	-77.6	-33.4	0	0	0	113.5	F195	F195-N199 VanDerWaalsContact O-CG 3.29Å; F195-N199 PolarHBondContact O-N 3.43Å; F195-N199 PolarHBondContact O-ND2 3.17Å
200	A	38.6	Very low	38.8	Very low	93 Å²	93	117.4 Å²	117.4	77%	0.769	61%	0.613	S	S	*	*	S	Bend	trans	-103.3	18.4	162.6	0	0	0	0	0	112.5	Q198	Q198-A200 PolarHBondContact O-N 3.04Å
201	S	32.1	Very low	38.7	Very low	89 Å²	89	116.6 Å²	116.6	62%	0.622	61%	0.613	S	S	*	*	S	Bend	trans	-168.5	118.5	158.2	41.7	0	0	0	0	114.3
202	T	36.4	Very low	39.1	Very low	127 Å²	127	117.8 Å²	117.8	78%	0.779	62%	0.62	S	S	*	*			trans	37.7	126.7	144.3	56.6	0	0	0	0	122.3
203	N	40	Very low	39.8	Very low	158 Å²	158	116.2 Å²	116.2	85%	0.845	62%	0.618	S	S	*	*			trans	56.1	82.8	151.5	-67.3	-4	0	0	0	118.1
204	I	37.7	Very low	40.8	Very low	98 Å²	98	118.7 Å²	118.7	50%	0.503	63%	0.626	S	S	.	*			trans	-93.8	120.9	159.2	-60.4	176.4	0	0	0	108.8	L208	I204-L208 HydrophobicContact CG2-CB 3.64Å; I204-L208 HydrophobicContact CG2-CD1 4.08Å
205	P	40.6	Very low	42.2	Very low	80 Å²	80	118.4 Å²	118.4	52%	0.519	62%	0.62	S	S	.	*			trans	-56.7	146.4	173.5	-26.7	34.8	0	0	0	113.1	S207 L208	P205-S207 PolarHBondContact O-N 2.85Å; P205-L208 PolarHBondContact O-N 3.29Å
206	E	41.3	Very low	44.3	Very low	146 Å²	146	115.7 Å²	115.7	68%	0.682	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-58.9	-26.1	-175.1	-160.7	132.7	-125.3	0	0	113.4	L208 R209	E206-L208 PolarHBondContact O-N 3.03Å; E206-R209 PolarHBondContact O-N 2.91Å; E206-R209 IonicContact OE1-NH1 3.36Å; E206-R209 PolarHBondContact OE1-NH1 3.23Å
207	S	35.9	Very low	46.2	Very low	110 Å²	110	113.6 Å²	113.6	77%	0.769	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-63.9	-13.2	174	56	0	0	0	0	115.6	P205	P205-S207 PolarHBondContact O-N 2.85Å
208	L	31.3	Very low	48	Very low	119 Å²	119	104.5 Å²	104.5	62%	0.623	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-100.4	-3	176.9	-74	168.1	0	0	0	113.4	I204 P205 E206 V210	I204-L208 HydrophobicContact CG2-CB 3.64Å; I204-L208 HydrophobicContact CG2-CD1 4.08Å; P205-L208 PolarHBondContact O-N 3.29Å; E206-L208 PolarHBondContact O-N 3.03Å; L208-V210 PolarHBondContact O-N 3.06Å
209	R	36.2	Very low	50.4	Low	172 Å²	172	99.6 Å²	99.6	65%	0.649	56%	0.555	S	S	*	*			trans	-76.1	91.8	166.7	-72.7	-179.5	174.6	162.2	-3.9	109	E206 V211	E206-R209 PolarHBondContact O-N 2.91Å; E206-R209 IonicContact OE1-NH1 3.36Å; E206-R209 PolarHBondContact OE1-NH1 3.23Å; R209-V211 PolarHBondContact O-N 3.22Å
210	V	34.9	Very low	53.1	Low	128 Å²	128	96.6 Å²	96.6	78%	0.776	54%	0.542	S	S	*	.			trans	-68.5	86.5	167.4	-177.1	0	0	0	0	108.5	L208 L212	L208-V210 PolarHBondContact O-N 3.06Å; V210-L212 PolarHBondContact O-N 3.02Å
211	V	38.4	Very low	55.8	Low	108 Å²	108	96 Å²	96	66%	0.655	52%	0.522	S	S	*	.			trans	-69	109.7	169.4	-179.2	0	0	0	0	107.1	R209 F213	R209-V211 PolarHBondContact O-N 3.22Å; V211-F213 VanDerWaalsContact C-N 3.3Å; V211-F213 PolarHBondContact O-N 3.29Å
212	L	48.1	Very low	58.8	Low	100 Å²	100	94 Å²	94	52%	0.524	50%	0.504	S	S	.	.			trans	-66.8	93.9	170	-79.6	160.5	0	0	0	108.2	P186 V210 D214	P186-L212 HydrophobicContact CB-CB 3.51Å; P186-L212 HydrophobicContact CB-CD1 3.45Å; P186-L212 VanDerWaalsContact CB-CD1 3.45Å; P186-L212 HydrophobicContact CB-CG 4.07Å; V210-L212 PolarHBondContact O-N 3.02Å; L212-D214 PolarHBondContact O-N 3.14Å
213	F	52.5	Low	61.4	Low	139 Å²	139	89.2 Å²	89.2	61%	0.61	48%	0.476	S	S	*	.			trans	-73.1	114.1	-171.9	-157.4	-110.4	0	0	0	110.4	V211 R215 D218	V211-F213 VanDerWaalsContact C-N 3.3Å; V211-F213 PolarHBondContact O-N 3.29Å; F213-R215 PolarHBondContact O-N 2.88Å; F213-D218 WeakPolarHBondContact CE1-OD1 3.38Å; F213-D218 VanDerWaalsContact CE1-OD2 3.25Å; F213-D218 WeakPolarHBondContact CE1-OD2 3.5Å; F213-D218 WeakPolarHBondContact CZ-OD1 3.49Å
214	D	66.9	Low	63.9	Low	87 Å²	87	87.8 Å²	87.8	47%	0.465	46%	0.464	S	S	.	.			trans	-75.3	91.2	175.7	179.4	0.7	0	0	0	109.8	L212 F216 G217 D218	L212-D214 PolarHBondContact O-N 3.14Å; D214-F216 PolarHBondContact O-N 3.25Å; D214-F216 PolarHBondContact OD1-N 2.6Å; D214-F216 VanDerWaalsContact OD1-N 3.09Å; D214-G217 WeakPolarHBondContact O-CA 3.4Å; D214-G217 PolarHBondContact O-N 2.97Å; D214-G217 PolarHBondContact OD1-N 3.25Å; D214-D218 PolarHBondContact O-N 3.25Å; D214-D218 VanDerWaalsContact O-OD1 3.07Å
215	R	69.9	Low	66.5	Low	100 Å²	100	88 Å²	88	38%	0.377	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-16.8	-178	-62.6	-168.4	-168.1	-146.5	-1.3	114.6	T174 F213 D218 P613	T174-R215 HydrophobicContact CG2-CB 4.08Å; F213-R215 PolarHBondContact O-N 2.88Å; R215-D218 WeakPolarHBondContact CA-OD2 3.4Å; R215-P613 PolarHBondContact NH1-O 2.58Å
216	F	83.9	Confident	69	Low	39 Å²	39	84.2 Å²	84.2	17%	0.171	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-33.2	173.6	-171.8	-108.2	0	0	0	111.7	A170 E171 T174 D214 D218 L219 Y621	A170-F216 HydrophobicContact CB-CE2 3.95Å; A170-F216 HydrophobicContact CB-CZ 4.32Å; E171-F216 HydrophobicContact CB-CD1 3.79Å; E171-F216 HydrophobicContact CB-CD2 4.19Å; E171-F216 HydrophobicContact CB-CE1 3.67Å; E171-F216 HydrophobicContact CB-CE2 4.1Å; E171-F216 HydrophobicContact CB-CG 4.01Å; E171-F216 HydrophobicContact CB-CZ 3.8Å; E171-F216 HydrophobicContact CG-CB 4.26Å; E171-F216 HydrophobicContact CG-CD1 3.64Å; E171-F216 HydrophobicContact CG-CE1 4Å; E171-F216 HydrophobicContact CG-CG 3.9Å; T174-F216 HydrophobicContact CG2-CB 4.23Å; T174-F216 HydrophobicContact CG2-CD2 4.46Å; D214-F216 PolarHBondContact O-N 3.25Å; D214-F216 PolarHBondContact OD1-N 2.6Å; D214-F216 VanDerWaalsContact OD1-N 3.09Å; F216-D218 PolarHBondContact O-N 3.1Å; F216-L219 HydrophobicContact CD2-CD1 3.96Å; F216-L219 WeakPolarHBondContact O-CB 3.4Å; F216-L219 PolarHBondContact O-N 3.12Å; F216-Y621 HydrophobicContact CE2-CD1 4.32Å; F216-Y621 AromaticContact CE2-CE1 3.78Å; F216-Y621 HydrophobicContact CE2-CE1 3.78Å; F216-Y621 HydrophobicContact CE2-CE2 4.45Å; F216-Y621 AromaticContact CE2-CZ 3.85Å; F216-Y621 AromaticContact CZ-CE1 3.71Å; F216-Y621 HydrophobicContact CZ-CE1 3.71Å; F216-Y621 AromaticContact CZ-CZ 3.67Å; F216-Y621 WeakPolarHBondContact CZ-OH 3.45Å
217	G	81.9	Confident	71.5	Confident	53 Å²	53	78.6 Å²	78.6	55%	0.546	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.8	170.3	0	0	0	0	0	114.2	D214 L219	D214-G217 WeakPolarHBondContact O-CA 3.4Å; D214-G217 PolarHBondContact O-N 2.97Å; D214-G217 PolarHBondContact OD1-N 3.25Å; G217-L219 PolarHBondContact O-N 3.45Å
218	D	85.9	Confident	74.4	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.144	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.7	171.9	-24.6	-39.3	0	0	0	114	F213 D214 R215 F216 A624 R633	F213-D218 WeakPolarHBondContact CE1-OD1 3.38Å; F213-D218 VanDerWaalsContact CE1-OD2 3.25Å; F213-D218 WeakPolarHBondContact CE1-OD2 3.5Å; F213-D218 WeakPolarHBondContact CZ-OD1 3.49Å; D214-D218 PolarHBondContact O-N 3.25Å; D214-D218 VanDerWaalsContact O-OD1 3.07Å; R215-D218 WeakPolarHBondContact CA-OD2 3.4Å; F216-D218 PolarHBondContact O-N 3.1Å; D218-A624 WeakPolarHBondContact O-CB 3.49Å; D218-A624 PolarHBondContact O-N 3.35Å; D218-R633 IonicContact OD2-CZ 2.9Å; D218-R633 IonicContact OD2-NH1 2.78Å; D218-R633 PolarHBondContact OD2-NH1 2.94Å; D218-R633 IonicContact OD2-NH2 2.6Å; D218-R633 PolarHBondContact OD2-NH2 2.99Å
219	L	91	Very high	77.5	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.099	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	146	-169.8	-54	-176.8	0	0	0	111.8	T174 F216 G217 L617 P618 Y621 V623	T174-L219 HydrophobicContact CG2-CD1 4.41Å; F216-L219 HydrophobicContact CD2-CD1 3.96Å; F216-L219 WeakPolarHBondContact O-CB 3.4Å; F216-L219 PolarHBondContact O-N 3.12Å; G217-L219 PolarHBondContact O-N 3.45Å; L219-L617 HydrophobicContact CD2-CD2 3.68Å; L219-P618 HydrophobicContact CD1-CG 4.17Å; L219-Y621 HydrophobicContact CB-CD1 3.87Å; L219-V623 HydrophobicContact CD2-CG2 4.47Å
220	S	92.7	Very high	80.4	Confident	37 Å²	37	60.4 Å²	60.4	26%	0.259	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.3	172.1	61.9	0	0	0	0	109.6	N222 Y621 S622	S220-N222 PolarHBondContact O-N 2.95Å; S220-N222 VanDerWaalsContact O-N 3.16Å; S220-Y621 WeakPolarHBondContact O-CA 3.45Å; S220-S622 PolarHBondContact N-O 2.65Å; S220-S622 PolarHBondContact O-N 3.28Å; S220-S622 PolarHBondContact OG-O 2.82Å
221	F	94.5	Very high	83.4	Confident	79 Å²	79	54.3 Å²	54.3	35%	0.346	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	106.4	168.6	-175.2	-94.4	0	0	0	108.1	L78 H167 P223 C620 Y621	L78-F221 HydrophobicContact CD1-CE1 4.21Å; L78-F221 HydrophobicContact CD1-CZ 4.24Å; L78-F221 HydrophobicContact CD2-CZ 4.13Å; H167-F221 AromaticContact CE1-CD2 3.45Å; H167-F221 VanDerWaalsContact CE1-CD2 3.45Å; H167-F221 WeakPolarHBondContact CE1-CD2 3.34Å; H167-F221 AromaticContact CE1-CE2 3.68Å; H167-F221 AromaticContact CE1-CG 3.83Å; H167-F221 AromaticContact ND1-CD2 3.93Å; F221-P223 HydrophobicContact CD1-CG 4.25Å; F221-P223 HydrophobicContact CE1-CG 3.69Å; F221-P223 HydrophobicContact CZ-CG 4.11Å; F221-C620 HydrophobicContact CD2-CB 3.89Å; F221-C620 HydrophobicContact CE2-CB 3.34Å; F221-C620 HydrophobicContact CZ-CB 3.89Å; F221-Y621 HydrophobicContact CB-CD1 4.41Å; F221-Y621 HydrophobicContact CB-CE1 4.12Å; F221-Y621 HydrophobicContact CD2-CD2 4.35Å; F221-Y621 HydrophobicContact CD2-CE1 4.46Å; F221-Y621 AromaticContact CD2-CE2 3.91Å; F221-Y621 HydrophobicContact CD2-CE2 3.91Å; F221-Y621 AromaticContact CD2-CZ 3.99Å
222	N	94.5	Very high	86.2	Confident	47 Å²	47	49.2 Å²	49.2	25%	0.251	25%	0.251	S	S	.	.			trans	-145.1	86.4	-173.8	-170.5	-33.8	0	0	0	109.5	S220 E224 K225 A226 C620	S220-N222 PolarHBondContact O-N 2.95Å; S220-N222 VanDerWaalsContact O-N 3.16Å; N222-E224 VanDerWaalsContact C-N 3.27Å; N222-E224 PolarHBondContact O-N 3.18Å; N222-E224 PolarHBondContact OD1-N 2.87Å; N222-K225 HydrophobicContact CB-CB 4.28Å; N222-K225 PolarHBondContact O-N 3.16Å; N222-K225 PolarHBondContact OD1-N 3.18Å; N222-A226 WeakPolarHBondContact O-CB 3.22Å; N222-A226 PolarHBondContact O-N 3.18Å; N222-C620 CarbonylContact C-O 3.58Å; N222-C620 PolarHBondContact N-O 2.75Å
223	P	92.6	Very high	88.6	Confident	27 Å²	27	44.4 Å²	44.4	18%	0.175	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.5	-176.3	-26.4	34.7	0	0	0	114.1	L78 F221 L229	L78-P223 HydrophobicContact CD1-CB 4.47Å; L78-P223 HydrophobicContact CD1-CG 3.77Å; L78-P223 HydrophobicContact CD2-CG 4.33Å; L78-P223 HydrophobicContact CG-CB 4.27Å; L78-P223 HydrophobicContact CG-CG 4.03Å; F221-P223 HydrophobicContact CD1-CG 4.25Å; F221-P223 HydrophobicContact CE1-CG 3.69Å; F221-P223 HydrophobicContact CZ-CG 4.11Å; P223-L229 HydrophobicContact CB-CD1 3.88Å; P223-L229 HydrophobicContact CB-CD2 4.49Å; P223-L229 HydrophobicContact CB-CG 4.01Å; P223-L229 WeakPolarHBondContact O-CD1 3.28Å
224	E	91.8	Very high	90.7	Very high	128 Å²	128	38 Å²	38	60%	0.598	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-41.6	179.8	-61.9	-179.7	178.7	0	0	111.9	K67 F73 N222	K67-E224 PolarHBondContact NZ-O 2.89Å; F73-E224 HydrophobicContact CD1-CG 4.48Å; F73-E224 HydrophobicContact CD2-CG 4.41Å; F73-E224 HydrophobicContact CG-CG 4.4Å; N222-E224 VanDerWaalsContact C-N 3.27Å; N222-E224 PolarHBondContact O-N 3.18Å; N222-E224 PolarHBondContact OD1-N 2.87Å
225	K	91.2	Very high	92.2	Very high	103 Å²	103	33.8 Å²	33.8	45%	0.448	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.1	175.2	-71.8	-166.1	174.8	-175	0	113.8	K67 N222 E626	K67-K225 WeakPolarHBondContact CE-O 3.2Å; K67-K225 PolarHBondContact NZ-O 2.98Å; N222-K225 HydrophobicContact CB-CB 4.28Å; N222-K225 PolarHBondContact O-N 3.16Å; N222-K225 PolarHBondContact OD1-N 3.18Å; K225-E626 IonicContact NZ-OE1 2.8Å; K225-E626 PolarHBondContact NZ-OE1 2.68Å
226	A	93.6	Very high	93.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	17%	0.169	C	C	.	.			trans	-63.3	152.7	179.1	0	0	0	0	0	113.7	K67 N222	K67-A226 WeakPolarHBondContact CE-O 3.16Å; K67-A226 PolarHBondContact NZ-O 3.28Å; N222-A226 WeakPolarHBondContact O-CB 3.22Å; N222-A226 PolarHBondContact O-N 3.18Å
227	N	93.5	Very high	93.9	Very high	27 Å²	27	32.6 Å²	32.6	14%	0.144	17%	0.173	C	C	.	.	S	Bend	trans	-84.7	-28.2	175.3	-67.9	-8.9	0	0	0	112.3	K67	K67-N227 VanDerWaalsContact CE-OD1 3.3Å; K67-N227 WeakPolarHBondContact CE-OD1 3.31Å
228	I	96.6	Very high	94.4	Very high	17 Å²	17	35 Å²	35	9%	0.087	18%	0.179	C	C	.	.			trans	-133.6	126.9	177.1	-57.5	179.2	0	0	0	107.1	L71 F120 L428 P619 C620	L71-I228 HydrophobicContact CB-CG2 4.48Å; L71-I228 HydrophobicContact CD1-CD1 4.38Å; L71-I228 HydrophobicContact CD1-CG1 4.2Å; F120-I228 HydrophobicContact CE1-CG2 4.36Å; F120-I228 HydrophobicContact CZ-CG2 4.49Å; I228-L428 HydrophobicContact CD1-CB 3.88Å; I228-L428 HydrophobicContact CD1-CD1 4.28Å; I228-L428 HydrophobicContact CD1-CD2 4.08Å; I228-L428 HydrophobicContact CD1-CG 4.31Å; I228-P619 HydrophobicContact CB-CB 4.48Å; I228-P619 HydrophobicContact CG2-CB 4.2Å; I228-P619 HydrophobicContact CG2-CG 4.21Å; I228-P619 CarbonylContact O-C 3.35Å; I228-P619 VanDerWaalsContact O-CA 3.31Å; I228-P619 WeakPolarHBondContact O-CA 3.39Å; I228-C620 PolarHBondContact O-N 2.98Å
229	L	96.8	Very high	94.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.201	C	C	.	.			trans	-114.9	91.4	-177.4	-156.1	174.6	0	0	0	108.1	L71 F73 Q76 T77 L78 P223	L71-L229 PolarHBondContact O-N 3.12Å; F73-L229 HydrophobicContact CB-CD1 4.08Å; Q76-L229 HydrophobicContact CB-CB 4.04Å; Q76-L229 HydrophobicContact CB-CD1 4.49Å; T77-L229 WeakPolarHBondContact O-CD2 3.28Å; L78-L229 HydrophobicContact CD2-CD2 3.96Å; L78-L229 HydrophobicContact CG-CD2 4.16Å; P223-L229 HydrophobicContact CB-CD1 3.88Å; P223-L229 HydrophobicContact CB-CD2 4.49Å; P223-L229 HydrophobicContact CB-CG 4.01Å; P223-L229 WeakPolarHBondContact O-CD1 3.28Å
230	S	97.2	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.			trans	-156.2	148.3	-175.3	-178.7	0	0	0	0	109.9	L119 P619 C620	L119-S230 PolarHBondContact N-OG 3.22Å; L119-S230 VanDerWaalsContact O-CA 3.25Å; L119-S230 WeakPolarHBondContact O-CA 3.3Å; L119-S230 WeakPolarHBondContact O-CB 3.47Å; L119-S230 PolarHBondContact O-OG 3.4Å; S230-P619 WeakPolarHBondContact O-CB 3.36Å; S230-C620 PolarHBondContact O-SG 3.31Å
231	L	97.9	Very high	95.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126	169.9	-56.1	178.3	0	0	0	109.4	L78 P79 L119 L159 V162 E163 H166	L78-L231 HydrophobicContact CD2-CD2 4.14Å; P79-L231 HydrophobicContact CB-CD1 4.35Å; P79-L231 HydrophobicContact CG-CD1 3.87Å; P79-L231 HydrophobicContact CG-CG 4.08Å; L119-L231 HydrophobicContact CB-CB 4.27Å; L119-L231 PolarHBondContact N-O 3.4Å; L119-L231 PolarHBondContact O-N 2.81Å; L119-L231 VanDerWaalsContact O-N 3.09Å; L159-L231 HydrophobicContact CD1-CD1 4.06Å; V162-L231 HydrophobicContact CG1-CB 4.11Å; V162-L231 HydrophobicContact CG1-CD1 3.97Å; E163-L231 HydrophobicContact CG-CD1 3.89Å; E163-L231 HydrophobicContact CG-CD2 4.47Å; H166-L231 HydrophobicContact CB-CB 4.46Å; H166-L231 HydrophobicContact CB-CD2 4.31Å; H166-L231 WeakPolarHBondContact CD2-CD2 3.46Å
232	V	98	Very high	95.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.6	173.6	-168.4	0	0	0	0	108.8	V116 G117 L118 H166 I169 I173 P619	V116-V232 HydrophobicContact CG1-CG1 3.61Å; G117-V232 WeakPolarHBondContact O-CA 3.46Å; L118-V232 HydrophobicContact CD2-CG1 4.41Å; L118-V232 HydrophobicContact CD2-CG2 3.91Å; H166-V232 PolarHBondContact ND1-N 2.82Å; I169-V232 HydrophobicContact CG2-CB 4.03Å; I169-V232 HydrophobicContact CG2-CG1 3.7Å; I173-V232 HydrophobicContact CD1-CG1 4.27Å; V232-P619 HydrophobicContact CG2-CB 4.26Å; V232-P619 HydrophobicContact CG2-CG 3.74Å
233	T	97.8	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	173.4	-175.9	-164.8	0	0	0	0	112.8	V116 G117 L119 I235	V116-T233 WeakPolarHBondContact CA-O 3.15Å; G117-T233 PolarHBondContact N-O 3.08Å; G117-T233 PolarHBondContact O-N 2.96Å; L119-T233 HydrophobicContact CD1-CG2 3.98Å; L119-T233 HydrophobicContact CD2-CG2 4.48Å; L119-T233 HydrophobicContact CG-CG2 4.04Å; T233-I235 HydrophobicContact CG2-CD1 3.69Å; T233-I235 HydrophobicContact CG2-CG1 4.22Å
234	L	97.8	Very high	95.5	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136	172.7	-59.2	-179.5	0	0	0	110.6	T114 V116 I169 D243 A246 L247 I278 I417	T114-L234 HydrophobicContact CG2-CB 3.96Å; T114-L234 HydrophobicContact CG2-CD2 4.34Å; T114-L234 HydrophobicContact CG2-CG 4.5Å; V116-L234 HydrophobicContact CG2-CD2 4.4Å; I169-L234 HydrophobicContact CD1-CG 4.41Å; L234-D243 PolarHBondContact O-N 2.92Å; L234-A246 HydrophobicContact CD1-CB 3.82Å; L234-L247 HydrophobicContact CB-CD2 3.86Å; L234-L247 HydrophobicContact CD1-CD2 4.24Å; L234-L247 HydrophobicContact CG-CD2 3.99Å; L234-I278 HydrophobicContact CD1-CD1 4.02Å; L234-I278 HydrophobicContact CD1-CG1 4.29Å; L234-I417 HydrophobicContact CD2-CG2 4.06Å
235	I	97.7	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.3	-172.7	-60.6	-61.1	0	0	0	109.5	L87 T89 T114 T115 T233 Y240 T241 V242	L87-I235 HydrophobicContact CD1-CD1 3.73Å; L87-I235 HydrophobicContact CD1-CG1 3.89Å; L87-I235 HydrophobicContact CD2-CD1 3.83Å; L87-I235 HydrophobicContact CD2-CG1 4.24Å; L87-I235 HydrophobicContact CD2-CG2 4.18Å; L87-I235 HydrophobicContact CG-CD1 4.46Å; T89-I235 HydrophobicContact CG2-CG1 4.42Å; T89-I235 HydrophobicContact CG2-CG2 4.49Å; T114-I235 CarbonylContact C-O 3.56Å; T114-I235 WeakPolarHBondContact CA-O 3.33Å; T115-I235 HydrophobicContact CG2-CB 3.81Å; T115-I235 HydrophobicContact CG2-CG2 4.05Å; T115-I235 PolarHBondContact N-O 3.19Å; T115-I235 PolarHBondContact O-N 3.35Å; T233-I235 HydrophobicContact CG2-CD1 3.69Å; T233-I235 HydrophobicContact CG2-CG1 4.22Å; I235-Y240 HydrophobicContact CG2-CD1 4.33Å; I235-T241 CarbonylContact C-O 3.51Å; I235-T241 VanDerWaalsContact CA-O 3.26Å; I235-T241 WeakPolarHBondContact CA-O 3.29Å; I235-V242 HydrophobicContact CD1-CG2 4.09Å
236	R	95.9	Very high	96	Very high	66 Å²	66	35 Å²	35	25%	0.249	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.9	176	-166.4	172.6	-64.1	-179	4.8	110.7	S113 Y240 T241 D243 E245 H276	S113-R236 CarbonylContact O-C 3.55Å; R236-Y240 WeakPolarHBondContact O-CA 3.18Å; R236-Y240 PolarHBondContact O-N 2.93Å; R236-T241 PolarHBondContact N-O 3.48Å; R236-D243 HydrophobicContact CB-CB 4.23Å; R236-D243 IonicContact CZ-OD1 3.14Å; R236-D243 IonicContact CZ-OD2 3.96Å; R236-D243 VanDerWaalsContact CZ-OD2 3.31Å; R236-D243 IonicContact NE-OD1 3.69Å; R236-D243 IonicContact NE-OD2 3.28Å; R236-D243 PolarHBondContact NE-OD2 3.13Å; R236-D243 IonicContact NH2-OD1 3.73Å; R236-D243 PolarHBondContact NH2-OD1 3.06Å; R236-D243 IonicContact NH2-OD2 2.72Å; R236-D243 PolarHBondContact NH2-OD2 3.33Å; R236-E245 IonicContact CZ-OE2 3Å; R236-E245 IonicContact NH1-OE2 3.33Å; R236-E245 PolarHBondContact NH1-OE2 3.21Å; R236-E245 VanDerWaalsContact NH1-OE2 3.17Å; R236-E245 IonicContact NH2-OE2 3.45Å; R236-E245 PolarHBondContact NH2-OE2 3.47Å; R236-H276 PolarHBondContact NH2-CE1 2.8Å; R236-H276 PolarHBondContact NH2-ND1 3.34Å
237	L	93.3	Very high	96.2	Very high	47 Å²	47	35 Å²	35	25%	0.246	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	145.4	175	-64.8	178.7	0	0	0	109.9	S113 T115 Y240	S113-L237 PolarHBondContact O-N 2.84Å; T115-L237 HydrophobicContact CG2-CD1 4.08Å; T115-L237 HydrophobicContact CG2-CD2 3.91Å; T115-L237 HydrophobicContact CG2-CG 3.92Å; L237-Y240 HydrophobicContact CD2-CD1 3.79Å; L237-Y240 HydrophobicContact CD2-CE1 3.39Å; L237-Y240 HydrophobicContact CD2-CE2 4.34Å; L237-Y240 HydrophobicContact CD2-CG 4.42Å
238	P	92.2	Very high	96.5	Very high	104 Å²	104	35.3 Å²	35.3	68%	0.675	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.2	-0.9	4.9	36.1	-36.6	0	0	0	114.7	Y240	P238-Y240 VanDerWaalsContact C-N 3.32Å; P238-Y240 WeakPolarHBondContact O-CD2 3.21Å; P238-Y240 VanDerWaalsContact O-CE2 3.28Å; P238-Y240 WeakPolarHBondContact O-CE2 3.27Å; P238-Y240 PolarHBondContact O-N 3.37Å
239	D	92.8	Very high	96.5	Very high	113 Å²	113	34.8 Å²	34.8	60%	0.604	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.6	-166.5	-56.6	-27.5	0	0	0	115.1	T241	D239-T241 VanDerWaalsContact C-N 3.27Å; D239-T241 HydrophobicContact CB-CG2 4.18Å; D239-T241 PolarHBondContact O-N 3.23Å
240	Y	95.6	Very high	96.5	Very high	92 Å²	92	34.7 Å²	34.7	36%	0.361	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	36.6	-175.6	-62	-82.9	0	0	0	114.2	L87 T89 T149 I235 R236 L237 P238	L87-Y240 VanDerWaalsContact CD2-O 3.23Å; L87-Y240 WeakPolarHBondContact CD2-O 3.31Å; T89-Y240 HydrophobicContact CG2-CD1 4.3Å; T149-Y240 HydrophobicContact CG2-CD1 4.05Å; T149-Y240 HydrophobicContact CG2-CE1 3.83Å; I235-Y240 HydrophobicContact CG2-CD1 4.33Å; R236-Y240 WeakPolarHBondContact O-CA 3.18Å; R236-Y240 PolarHBondContact O-N 2.93Å; L237-Y240 HydrophobicContact CD2-CD1 3.79Å; L237-Y240 HydrophobicContact CD2-CE1 3.39Å; L237-Y240 HydrophobicContact CD2-CE2 4.34Å; L237-Y240 HydrophobicContact CD2-CG 4.42Å; P238-Y240 VanDerWaalsContact C-N 3.32Å; P238-Y240 WeakPolarHBondContact O-CD2 3.21Å; P238-Y240 VanDerWaalsContact O-CE2 3.28Å; P238-Y240 WeakPolarHBondContact O-CE2 3.27Å; P238-Y240 PolarHBondContact O-N 3.37Å
241	T	95.8	Very high	96.5	Very high	68 Å²	68	36.4 Å²	36.4	42%	0.417	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	158.5	175.1	53.6	0	0	0	0	111.5	I235 R236 D239 D243	I235-T241 CarbonylContact C-O 3.51Å; I235-T241 VanDerWaalsContact CA-O 3.26Å; I235-T241 WeakPolarHBondContact CA-O 3.29Å; R236-T241 PolarHBondContact N-O 3.48Å; D239-T241 VanDerWaalsContact C-N 3.27Å; D239-T241 HydrophobicContact CB-CG2 4.18Å; D239-T241 PolarHBondContact O-N 3.23Å; T241-D243 PolarHBondContact O-N 3.18Å
242	V	97.1	Very high	96.4	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128	176.3	179.6	0	0	0	0	110	F152 V162 I235 Y244 L247	F152-V242 HydrophobicContact CE2-CG2 4.29Å; F152-V242 HydrophobicContact CZ-CG2 4.09Å; V162-V242 HydrophobicContact CG2-CG1 3.95Å; I235-V242 HydrophobicContact CD1-CG2 4.09Å; V242-Y244 HydrophobicContact CB-CE1 3.96Å; V242-Y244 HydrophobicContact CB-CE2 4.19Å; V242-Y244 HydrophobicContact CG1-CD1 3.84Å; V242-Y244 HydrophobicContact CG1-CE1 3.52Å; V242-Y244 HydrophobicContact CG1-CG 4.44Å; V242-Y244 PolarHBondContact O-N 2.92Å; V242-L247 HydrophobicContact CG1-CD1 3.59Å; V242-L247 HydrophobicContact CG1-CG 4.46Å
243	D	97	Very high	96.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.			trans	-84.8	78.6	-178.7	-161.6	-44.3	0	0	0	111.6	L234 R236 T241 E245 A246 L247 H276	L234-D243 PolarHBondContact O-N 2.92Å; R236-D243 HydrophobicContact CB-CB 4.23Å; R236-D243 IonicContact CZ-OD1 3.14Å; R236-D243 IonicContact CZ-OD2 3.96Å; R236-D243 VanDerWaalsContact CZ-OD2 3.31Å; R236-D243 IonicContact NE-OD1 3.69Å; R236-D243 IonicContact NE-OD2 3.28Å; R236-D243 PolarHBondContact NE-OD2 3.13Å; R236-D243 IonicContact NH2-OD1 3.73Å; R236-D243 PolarHBondContact NH2-OD1 3.06Å; R236-D243 IonicContact NH2-OD2 2.72Å; R236-D243 PolarHBondContact NH2-OD2 3.33Å; T241-D243 PolarHBondContact O-N 3.18Å; D243-E245 PolarHBondContact O-N 2.91Å; D243-E245 VanDerWaalsContact O-N 3.13Å; D243-E245 PolarHBondContact OD1-N 3.11Å; D243-A246 HydrophobicContact CB-CB 3.99Å; D243-A246 PolarHBondContact O-N 3.34Å; D243-A246 WeakPolarHBondContact OD1-CB 3.5Å; D243-A246 PolarHBondContact OD1-N 3.01Å; D243-L247 WeakPolarHBondContact O-CG 3.46Å; D243-L247 PolarHBondContact O-N 3.44Å; D243-H276 IonicContact OD1-ND1 3.36Å; D243-H276 PolarHBondContact OD1-ND1 3.27Å; D243-H276 IonicContact OD2-CE1 2.98Å; D243-H276 IonicContact OD2-CG 2.56Å; D243-H276 IonicContact OD2-ND1 2.71Å; D243-H276 PolarHBondContact OD2-ND1 2.89Å
244	Y	97.1	Very high	95.9	Very high	77 Å²	77	40.8 Å²	40.8	30%	0.302	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-21	-178.4	-60.8	-63.4	0	0	0	114.5	E158 V162 V242 L247 G248	E158-Y244 HydrophobicContact CB-CE1 4Å; E158-Y244 WeakPolarHBondContact CB-OH 3.45Å; E158-Y244 HydrophobicContact CG-CE1 3.99Å; E158-Y244 HydrophobicContact CG-CE2 4.24Å; E158-Y244 VanDerWaalsContact CG-OH 3.23Å; E158-Y244 WeakPolarHBondContact CG-OH 3.46Å; E158-Y244 PolarHBondContact OE1-OH 2.95Å; V162-Y244 HydrophobicContact CG2-CE1 4.35Å; V242-Y244 HydrophobicContact CB-CE1 3.96Å; V242-Y244 HydrophobicContact CB-CE2 4.19Å; V242-Y244 HydrophobicContact CG1-CD1 3.84Å; V242-Y244 HydrophobicContact CG1-CE1 3.52Å; V242-Y244 HydrophobicContact CG1-CG 4.44Å; V242-Y244 PolarHBondContact O-N 2.92Å; Y244-L247 HydrophobicContact CD1-CD1 4.25Å; Y244-G248 PolarHBondContact O-N 2.83Å
245	E	96.5	Very high	95.6	Very high	106 Å²	106	45.4 Å²	45.4	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-76	-44.8	176.2	-67.8	170.9	126.4	0	0	110.4	R236 D243 G248 A249 V275 H276	R236-E245 IonicContact CZ-OE2 3Å; R236-E245 IonicContact NH1-OE2 3.33Å; R236-E245 PolarHBondContact NH1-OE2 3.21Å; R236-E245 VanDerWaalsContact NH1-OE2 3.17Å; R236-E245 IonicContact NH2-OE2 3.45Å; R236-E245 PolarHBondContact NH2-OE2 3.47Å; D243-E245 PolarHBondContact O-N 2.91Å; D243-E245 VanDerWaalsContact O-N 3.13Å; D243-E245 PolarHBondContact OD1-N 3.11Å; E245-G248 PolarHBondContact O-N 3.21Å; E245-A249 PolarHBondContact O-N 2.87Å; E245-V275 HydrophobicContact CB-CG1 4.33Å; E245-H276 IonicContact OE2-CE1 4Å; E245-H276 PolarHBondContact OE2-CE1 2.72Å; E245-H276 VanDerWaalsContact OE2-CE1 3.28Å
246	A	96.7	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-41.5	171.2	0	0	0	0	0	112.2	L234 D243 A249 L250 H276 I278	L234-A246 HydrophobicContact CD1-CB 3.82Å; D243-A246 HydrophobicContact CB-CB 3.99Å; D243-A246 PolarHBondContact O-N 3.34Å; D243-A246 WeakPolarHBondContact OD1-CB 3.5Å; D243-A246 PolarHBondContact OD1-N 3.01Å; A246-A249 PolarHBondContact O-N 3.47Å; A246-L250 WeakPolarHBondContact O-CB 3.11Å; A246-L250 PolarHBondContact O-N 3.1Å; A246-H276 HydrophobicContact CB-CB 4.01Å; A246-I278 HydrophobicContact CB-CG1 4.1Å
247	L	98.1	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-43	174.9	-62.1	-170.3	0	0	0	111.6	V162 A165 L234 V242 D243 Y244 A249 L250 L251	V162-L247 HydrophobicContact CG2-CD1 4.04Å; A165-L247 HydrophobicContact CB-CB 4.29Å; A165-L247 HydrophobicContact CB-CD1 4.32Å; A165-L247 HydrophobicContact CB-CD2 3.76Å; A165-L247 HydrophobicContact CB-CG 4.33Å; L234-L247 HydrophobicContact CB-CD2 3.86Å; L234-L247 HydrophobicContact CD1-CD2 4.24Å; L234-L247 HydrophobicContact CG-CD2 3.99Å; V242-L247 HydrophobicContact CG1-CD1 3.59Å; V242-L247 HydrophobicContact CG1-CG 4.46Å; D243-L247 WeakPolarHBondContact O-CG 3.46Å; D243-L247 PolarHBondContact O-N 3.44Å; Y244-L247 HydrophobicContact CD1-CD1 4.25Å; L247-A249 PolarHBondContact O-N 3.11Å; L247-L250 PolarHBondContact O-N 3.47Å; L247-L251 WeakPolarHBondContact O-CB 3.32Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.24Å; L247-L251 PolarHBondContact O-N 3.17Å
248	G	97.9	Very high	94.1	Very high	34 Å²	34	47 Å²	47	35%	0.351	25%	0.251	S	S	.	.	H	α-helix	trans	-58.9	-46	176.7	0	0	0	0	0	112.4	Y244 E245 L250 L251 E252	Y244-G248 PolarHBondContact O-N 2.83Å; E245-G248 PolarHBondContact O-N 3.21Å; G248-L250 PolarHBondContact O-N 2.89Å; G248-L251 PolarHBondContact O-N 2.69Å; G248-E252 WeakPolarHBondContact O-CB 3.46Å; G248-E252 PolarHBondContact O-N 3.47Å
249	A	96.7	Very high	93.4	Very high	6 Å²	6	49.8 Å²	49.8	5%	0.05	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-39.3	175.3	0	0	0	0	0	112.8	E245 A246 L247 E252 W253 V275 I278 P280	E245-A249 PolarHBondContact O-N 2.87Å; A246-A249 PolarHBondContact O-N 3.47Å; L247-A249 PolarHBondContact O-N 3.11Å; A249-E252 PolarHBondContact O-N 3.16Å; A249-W253 PolarHBondContact O-N 3.37Å; A249-V275 HydrophobicContact CB-CB 3.95Å; A249-V275 HydrophobicContact CB-CG1 4.37Å; A249-I278 HydrophobicContact CB-CB 3.91Å; A249-I278 HydrophobicContact CB-CG2 3.82Å; A249-P280 HydrophobicContact CB-CB 4.02Å; A249-P280 WeakPolarHBondContact O-CA 2.93Å
250	L	97.5	Very high	91.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-68.1	-39.1	178.5	-174.5	62.3	0	0	0	112.2	V168 I169 L172 A246 L247 G248 W253 S254 I278 L413	V168-L250 HydrophobicContact CB-CG 4.5Å; V168-L250 HydrophobicContact CG1-CD1 4.05Å; V168-L250 HydrophobicContact CG1-CD2 4.3Å; V168-L250 HydrophobicContact CG1-CG 3.93Å; I169-L250 HydrophobicContact CD1-CD2 4.13Å; I169-L250 HydrophobicContact CG1-CD2 3.69Å; L172-L250 HydrophobicContact CD1-CD1 3.99Å; A246-L250 WeakPolarHBondContact O-CB 3.11Å; A246-L250 PolarHBondContact O-N 3.1Å; L247-L250 PolarHBondContact O-N 3.47Å; G248-L250 PolarHBondContact O-N 2.89Å; L250-W253 HydrophobicContact CD1-CE3 4.24Å; L250-W253 PolarHBondContact O-N 3.23Å; L250-S254 PolarHBondContact O-N 3.19Å; L250-S254 VanDerWaalsContact O-N 3.09Å; L250-I278 HydrophobicContact CB-CG2 4.1Å; L250-I278 HydrophobicContact CD1-CG2 4.36Å; L250-L413 HydrophobicContact CD1-CD2 4.19Å
251	L	97.2	Very high	89.7	Confident	36 Å²	36	46 Å²	46	19%	0.188	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-39.4	174.2	-70.3	172.2	0	0	0	111.8	A165 V168 L247 G248 W253 S254 L255	A165-L251 HydrophobicContact CB-CD2 4.35Å; A165-L251 HydrophobicContact CB-CG 4.38Å; V168-L251 HydrophobicContact CG2-CD2 4.23Å; L247-L251 WeakPolarHBondContact O-CB 3.32Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.24Å; L247-L251 PolarHBondContact O-N 3.17Å; G248-L251 PolarHBondContact O-N 2.69Å; L251-W253 VanDerWaalsContact C-N 3.32Å; L251-W253 PolarHBondContact O-N 2.85Å; L251-S254 PolarHBondContact O-N 3.29Å; L251-L255 WeakPolarHBondContact O-CB 3.25Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.28Å; L251-L255 PolarHBondContact O-N 3.43Å
252	E	95.2	Very high	87.1	Confident	79 Å²	79	48.4 Å²	48.4	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-60.7	-42.3	173.6	-168.6	-179.9	176	0	0	111.7	G248 A249 L255 C256 P280 K281	G248-E252 WeakPolarHBondContact O-CB 3.46Å; G248-E252 PolarHBondContact O-N 3.47Å; A249-E252 PolarHBondContact O-N 3.16Å; E252-L255 PolarHBondContact O-N 2.8Å; E252-C256 PolarHBondContact O-N 3.48Å; E252-C256 PolarHBondContact O-SG 3.16Å; E252-P280 CarbonylContact C-O 3.53Å; E252-P280 HydrophobicContact CB-CB 4.22Å; E252-P280 HydrophobicContact CG-CB 4.4Å; E252-K281 VanDerWaalsContact OE1-CE 3.27Å; E252-K281 WeakPolarHBondContact OE1-CE 3.37Å; E252-K281 IonicContact OE1-NZ 3.58Å; E252-K281 PolarHBondContact OE1-NZ 3.07Å
253	W	94	Very high	84.2	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-47.2	175.3	169.2	90.6	0	0	0	112	V168 L172 H181 A249 L250 L251 L255 C256 R257 P280 W282 P412	V168-W253 HydrophobicContact CG1-CE3 4.09Å; V168-W253 HydrophobicContact CG1-CZ3 3.77Å; L172-W253 HydrophobicContact CD2-CH2 3.98Å; L172-W253 HydrophobicContact CD2-CZ3 4.36Å; H181-W253 HydrophobicContact CB-CH2 4.44Å; H181-W253 HydrophobicContact CB-CZ2 4.12Å; H181-W253 WeakPolarHBondContact O-CZ2 3.33Å; A249-W253 PolarHBondContact O-N 3.37Å; L250-W253 HydrophobicContact CD1-CE3 4.24Å; L250-W253 PolarHBondContact O-N 3.23Å; L251-W253 VanDerWaalsContact C-N 3.32Å; L251-W253 PolarHBondContact O-N 2.85Å; W253-L255 PolarHBondContact O-N 3.44Å; W253-C256 WeakPolarHBondContact O-CB 3.3Å; W253-C256 PolarHBondContact O-N 2.8Å; W253-R257 PolarHBondContact O-N 3.37Å; W253-P280 WeakPolarHBondContact CA-O 3.28Å; W253-P280 PolarHBondContact N-O 3.17Å; W253-P280 VanDerWaalsContact N-O 3.16Å; W253-W282 AromaticContact CE2-CD1 3.87Å; W253-W282 AromaticContact CZ2-CD1 3.96Å; W253-W282 AromaticContact NE1-CD1 3.57Å; W253-P412 HydrophobicContact CD2-CB 3.77Å; W253-P412 HydrophobicContact CD2-CG 3.97Å; W253-P412 VanDerWaalsContact CE2-CG 3.48Å; W253-P412 HydrophobicContact CE3-CB 4.42Å; W253-P412 HydrophobicContact CE3-CG 4.45Å; W253-P412 HydrophobicContact CG-CB 3.82Å; W253-P412 HydrophobicContact CG-CG 4.49Å; W253-P412 HydrophobicContact CH2-CG 4.15Å; W253-P412 HydrophobicContact CZ2-CB 4.31Å; W253-P412 HydrophobicContact CZ2-CG 3.59Å
254	S	92.9	Very high	81.4	Confident	12 Å²	12	56.3 Å²	56.3	8%	0.084	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-47.6	177.1	-170.3	0	0	0	0	111	L250 L251 C256 R257 D258	L250-S254 PolarHBondContact O-N 3.19Å; L250-S254 VanDerWaalsContact O-N 3.09Å; L251-S254 PolarHBondContact O-N 3.29Å; S254-C256 VanDerWaalsContact C-N 3.29Å; S254-C256 PolarHBondContact O-N 2.8Å; S254-R257 WeakPolarHBondContact O-CB 3.36Å; S254-R257 PolarHBondContact O-N 3.34Å; S254-R257 VanDerWaalsContact O-N 3.12Å; S254-D258 WeakPolarHBondContact O-CB 3.46Å; S254-D258 PolarHBondContact O-N 2.84Å; S254-D258 PolarHBondContact OG-OD2 3.28Å
255	L	91.3	Very high	78.5	Confident	100 Å²	100	57.4 Å²	57.4	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-35.4	177.4	-71.3	169.5	0	0	0	112.7	L251 E252 W253 K259	L251-L255 WeakPolarHBondContact O-CB 3.25Å; L251-L255 VanDerWaalsContact O-CG 3.3Å; L251-L255 WeakPolarHBondContact O-CG 3.28Å; L251-L255 PolarHBondContact O-N 3.43Å; E252-L255 PolarHBondContact O-N 2.8Å; W253-L255 PolarHBondContact O-N 3.44Å; L255-K259 WeakPolarHBondContact O-CB 3.46Å; L255-K259 WeakPolarHBondContact O-CD 3.44Å; L255-K259 VanDerWaalsContact O-CG 3.25Å; L255-K259 WeakPolarHBondContact O-CG 3.37Å; L255-K259 PolarHBondContact O-N 2.92Å
256	C	87	Confident	76.1	Confident	24 Å²	24	59 Å²	59	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-68.1	-40.7	174.2	-70.3	0	0	0	0	112.1	E252 W253 S254 G260 W282	E252-C256 PolarHBondContact O-N 3.48Å; E252-C256 PolarHBondContact O-SG 3.16Å; W253-C256 WeakPolarHBondContact O-CB 3.3Å; W253-C256 PolarHBondContact O-N 2.8Å; S254-C256 VanDerWaalsContact C-N 3.29Å; S254-C256 PolarHBondContact O-N 2.8Å; C256-G260 PolarHBondContact O-N 3.07Å; C256-W282 HydrophobicContact CB-CB 4.06Å
257	R	85.6	Confident	73.8	Confident	25 Å²	25	66.5 Å²	66.5	9%	0.094	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-47.4	176.7	-179.8	-166.8	72.3	-173.2	-2.1	112	E171 W253 S254 G260 W282	E171-R257 IonicContact OE1-CZ 3.29Å; E171-R257 IonicContact OE1-NH1 2.73Å; E171-R257 PolarHBondContact OE1-NH1 3.5Å; E171-R257 IonicContact OE1-NH2 3.56Å; E171-R257 IonicContact OE2-CZ 2.66Å; E171-R257 IonicContact OE2-NH1 3.34Å; E171-R257 PolarHBondContact OE2-NH1 2.89Å; E171-R257 IonicContact OE2-NH2 3.84Å; E171-R257 PolarHBondContact OE2-NH2 3.01Å; W253-R257 PolarHBondContact O-N 3.37Å; S254-R257 WeakPolarHBondContact O-CB 3.36Å; S254-R257 PolarHBondContact O-N 3.34Å; S254-R257 VanDerWaalsContact O-N 3.12Å; R257-G260 WeakPolarHBondContact O-CA 3.45Å; R257-G260 PolarHBondContact O-N 3.09Å; R257-W282 HydrophobicContact CB-CB 4.06Å; R257-W282 HydrophobicContact CB-CD2 4Å; R257-W282 HydrophobicContact CB-CG 3.66Å; R257-W282 HydrophobicContact CG-CD2 4.05Å; R257-W282 HydrophobicContact CG-CG 4.07Å; R257-W282 HydrophobicContact CG-CZ2 4.32Å
258	D	81.8	Confident	71.6	Confident	97 Å²	97	69.8 Å²	69.8	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-73.2	-35.6	-171.7	-59	-19.5	0	0	0	111.5	S254 G260	S254-D258 WeakPolarHBondContact O-CB 3.46Å; S254-D258 PolarHBondContact O-N 2.84Å; S254-D258 PolarHBondContact OG-OD2 3.28Å; D258-G260 PolarHBondContact O-N 2.89Å
259	K	77.6	Confident	69.7	Low	164 Å²	164	71.4 Å²	71.4	71%	0.713	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15	166.9	-71.8	175.1	-177.3	177.4	0	113.1	L255 I261	L255-K259 WeakPolarHBondContact O-CB 3.46Å; L255-K259 WeakPolarHBondContact O-CD 3.44Å; L255-K259 VanDerWaalsContact O-CG 3.25Å; L255-K259 WeakPolarHBondContact O-CG 3.37Å; L255-K259 PolarHBondContact O-N 2.92Å; K259-I261 VanDerWaalsContact C-N 3.3Å; K259-I261 PolarHBondContact O-N 3.15Å; K259-I261 VanDerWaalsContact O-N 3.15Å
260	G	60.3	Low	68.1	Low	19 Å²	19	77.1 Å²	77.1	20%	0.196	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	44.3	163.7	0	0	0	0	0	113.8	C256 R257 D258 S262	C256-G260 PolarHBondContact O-N 3.07Å; R257-G260 WeakPolarHBondContact O-CA 3.45Å; R257-G260 PolarHBondContact O-N 3.09Å; D258-G260 PolarHBondContact O-N 2.89Å; G260-S262 PolarHBondContact O-N 2.91Å
261	I	51.3	Low	67.2	Low	105 Å²	105	83.4 Å²	83.4	54%	0.538	47%	0.466	S	S	.	.			trans	-42.5	103.8	-170.6	-66.1	177.9	0	0	0	109.6	K259 T263	K259-I261 VanDerWaalsContact C-N 3.3Å; K259-I261 PolarHBondContact O-N 3.15Å; K259-I261 VanDerWaalsContact O-N 3.15Å; I261-T263 WeakPolarHBondContact CG2-OG1 3.31Å; I261-T263 PolarHBondContact O-N 2.66Å
262	S	39.3	Very low	66.7	Low	120 Å²	120	82.1 Å²	82.1	84%	0.839	46%	0.459	S	S	*	.			trans	-85.6	2.8	-169.6	-176.8	0	0	0	0	112.2	G260 A264	G260-S262 PolarHBondContact O-N 2.91Å; S262-A264 PolarHBondContact O-N 3.1Å
263	T	37.9	Very low	66.6	Low	76 Å²	76	84.7 Å²	84.7	47%	0.466	47%	0.47	S	S	.	.			trans	-83.8	114.3	177.1	51.7	0	0	0	0	108.9	I261 D265	I261-T263 WeakPolarHBondContact CG2-OG1 3.31Å; I261-T263 PolarHBondContact O-N 2.66Å; T263-D265 VanDerWaalsContact CB-OD2 3.27Å; T263-D265 WeakPolarHBondContact CB-OD2 3.39Å; T263-D265 VanDerWaalsContact CG2-OD2 3.22Å; T263-D265 WeakPolarHBondContact CG2-OD2 3.49Å; T263-D265 PolarHBondContact O-N 2.77Å
264	A	36.6	Very low	66.5	Low	101 Å²	101	86.2 Å²	86.2	84%	0.835	48%	0.479	S	S	*	.			trans	-72	39.4	152.2	0	0	0	0	0	110.3	S262	S262-A264 PolarHBondContact O-N 3.1Å
265	D	37.2	Very low	66.6	Low	100 Å²	100	88.3 Å²	88.3	54%	0.535	49%	0.492	S	S	.	.			trans	-86	124	173.1	-73.8	-31.6	0	0	0	107.5	T263 N267	T263-D265 VanDerWaalsContact CB-OD2 3.27Å; T263-D265 WeakPolarHBondContact CB-OD2 3.39Å; T263-D265 VanDerWaalsContact CG2-OD2 3.22Å; T263-D265 WeakPolarHBondContact CG2-OD2 3.49Å; T263-D265 PolarHBondContact O-N 2.77Å; D265-N267 PolarHBondContact O-N 3.28Å
266	D	45.7	Very low	66.6	Low	139 Å²	139	86.8 Å²	86.8	74%	0.743	48%	0.482	S	S	*	.	S	Bend	trans	-66.4	6.2	-178.2	-68.6	-62	0	0	0	114.8	F268	D266-F268 PolarHBondContact O-N 3.17Å
267	N	48	Very low	66.9	Low	157 Å²	157	85.8 Å²	85.8	84%	0.84	48%	0.475	S	S	*	.			trans	-74.6	56.2	172.1	-80.9	-24.4	0	0	0	112.5	D265	D265-N267 PolarHBondContact O-N 3.28Å
268	F	53.5	Low	67.4	Low	69 Å²	69	84.6 Å²	84.6	30%	0.303	47%	0.471	S	S	.	.			trans	-71.2	148.5	165.4	-76.7	-93.2	0	0	0	110.8	D266 T270 I284	D266-F268 PolarHBondContact O-N 3.17Å; F268-T270 PolarHBondContact O-N 2.94Å; F268-T270 VanDerWaalsContact O-N 3.12Å; F268-I284 HydrophobicContact CD1-CD1 4.38Å
269	P	57.6	Low	68	Low	69 Å²	69	80 Å²	80	45%	0.448	45%	0.446	S	S	.	.			trans	-60	117.9	169.7	-19	31.1	0	0	0	110.1	H271 V272	P269-H271 PolarHBondContact O-N 2.85Å; P269-V272 HydrophobicContact CB-CG2 4.18Å
270	T	61.7	Low	68.8	Low	125 Å²	125	72.8 Å²	72.8	77%	0.767	42%	0.416	S	S	*	.	S	Bend	trans	-68.6	113.4	169.4	44.8	0	0	0	0	108.6	F268	F268-T270 PolarHBondContact O-N 2.94Å; F268-T270 VanDerWaalsContact O-N 3.12Å
271	H	79.2	Confident	70.3	Confident	133 Å²	133	74.9 Å²	74.9	62%	0.616	42%	0.42	S	S	*	.			trans	77.7	72.5	179.9	-45.8	-36	0	0	0	115.8	P269 Q288 P290	P269-H271 PolarHBondContact O-N 2.85Å; H271-Q288 WeakPolarHBondContact CA-O 3.09Å; H271-Q288 PolarHBondContact N-O 3.13Å; H271-P290 HydrophobicContact CB-CG 3.95Å
272	V	87.9	Confident	72	Confident	9 Å²	9	71.1 Å²	71.1	6%	0.055	40%	0.399	C	S	.	.			trans	-70.5	130.3	160.7	-178.7	0	0	0	0	109	P269 V279 P280 K281 I284 Q288 I289 P290	P269-V272 HydrophobicContact CB-CG2 4.18Å; V272-V279 HydrophobicContact CG1-CG1 4.01Å; V272-P280 HydrophobicContact CG1-CG 4.49Å; V272-K281 HydrophobicContact CG1-CB 4.28Å; V272-K281 HydrophobicContact CG1-CG 4.05Å; V272-K281 HydrophobicContact CG2-CB 4.32Å; V272-K281 HydrophobicContact CG2-CG 4Å; V272-I284 HydrophobicContact CG2-CD1 3.87Å; V272-I284 HydrophobicContact CG2-CG1 4.37Å; V272-Q288 PolarHBondContact N-O 3.25Å; V272-Q288 VanDerWaalsContact N-O 3.09Å; V272-I289 HydrophobicContact CB-CG1 4.49Å; V272-P290 WeakPolarHBondContact O-CD 3.36Å
273	K	91.3	Very high	74.1	Confident	134 Å²	134	71 Å²	71	58%	0.583	38%	0.38	S	S	*	.			trans	-108.6	138.7	173.3	-68.8	-170.4	178	-173.4	0	110.7
274	P	93.1	Very high	76.5	Confident	32 Å²	32	67.5 Å²	67.5	21%	0.208	36%	0.358	C	S	.	.			trans	-62.9	144.9	166.8	-18.2	31.4	0	0	0	111.4	I278 V279 N293 L297	P274-I278 CarbonylContact C-O 3.41Å; P274-I278 VanDerWaalsContact CA-O 3.3Å; P274-I278 WeakPolarHBondContact CA-O 3.21Å; P274-V279 HydrophobicContact CB-CG2 4.42Å; P274-V279 HydrophobicContact CG-CG2 4.28Å; P274-N293 HydrophobicContact CG-CB 4.27Å; P274-L297 HydrophobicContact CG-CD2 4.02Å
275	V	94	Very high	79	Confident	57 Å²	57	65.1 Å²	65.1	35%	0.345	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-117.8	111.6	173.3	178.6	0	0	0	0	107.3	E245 A249 G277 I278	E245-V275 HydrophobicContact CB-CG1 4.33Å; A249-V275 HydrophobicContact CB-CB 3.95Å; A249-V275 HydrophobicContact CB-CG1 4.37Å; V275-G277 VanDerWaalsContact C-N 3.26Å; V275-G277 PolarHBondContact O-N 2.65Å; V275-I278 PolarHBondContact N-O 3.13Å; V275-I278 WeakPolarHBondContact O-CB 3.29Å; V275-I278 PolarHBondContact O-N 3.15Å
276	H	93.1	Very high	81.6	Confident	68 Å²	68	60.3 Å²	60.3	32%	0.315	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	46.7	-179.5	-65	-172.3	0	0	0	113	R236 D243 E245 A246 I278 I417	R236-H276 PolarHBondContact NH2-CE1 2.8Å; R236-H276 PolarHBondContact NH2-ND1 3.34Å; D243-H276 IonicContact OD1-ND1 3.36Å; D243-H276 PolarHBondContact OD1-ND1 3.27Å; D243-H276 IonicContact OD2-CE1 2.98Å; D243-H276 IonicContact OD2-CG 2.56Å; D243-H276 IonicContact OD2-ND1 2.71Å; D243-H276 PolarHBondContact OD2-ND1 2.89Å; E245-H276 IonicContact OE2-CE1 4Å; E245-H276 PolarHBondContact OE2-CE1 2.72Å; E245-H276 VanDerWaalsContact OE2-CE1 3.28Å; A246-H276 HydrophobicContact CB-CB 4.01Å; H276-I278 VanDerWaalsContact C-N 3.32Å; H276-I278 PolarHBondContact O-N 2.84Å; H276-I417 WeakPolarHBondContact O-CD1 3.48Å
277	G	93	Very high	83.7	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	7.3	-178.5	0	0	0	0	0	115.7	V275 S414	V275-G277 VanDerWaalsContact C-N 3.26Å; V275-G277 PolarHBondContact O-N 2.65Å; G277-S414 VanDerWaalsContact O-CB 3.24Å; G277-S414 WeakPolarHBondContact O-CB 3.4Å; G277-S414 PolarHBondContact O-N 3.2Å; G277-S414 PolarHBondContact O-OG 3.22Å
278	I	95.6	Very high	85.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-111.9	131	176.3	-52.3	-63.6	0	0	0	110.9	L234 A246 A249 L250 P274 V275 H276 P280 P412 L413 I417	L234-I278 HydrophobicContact CD1-CD1 4.02Å; L234-I278 HydrophobicContact CD1-CG1 4.29Å; A246-I278 HydrophobicContact CB-CG1 4.1Å; A249-I278 HydrophobicContact CB-CB 3.91Å; A249-I278 HydrophobicContact CB-CG2 3.82Å; L250-I278 HydrophobicContact CB-CG2 4.1Å; L250-I278 HydrophobicContact CD1-CG2 4.36Å; P274-I278 CarbonylContact C-O 3.41Å; P274-I278 VanDerWaalsContact CA-O 3.3Å; P274-I278 WeakPolarHBondContact CA-O 3.21Å; V275-I278 PolarHBondContact N-O 3.13Å; V275-I278 WeakPolarHBondContact O-CB 3.29Å; V275-I278 PolarHBondContact O-N 3.15Å; H276-I278 VanDerWaalsContact C-N 3.32Å; H276-I278 PolarHBondContact O-N 2.84Å; I278-P280 WeakPolarHBondContact O-CD 3.4Å; I278-P412 CarbonylContact C-O 3.57Å; I278-P412 VanDerWaalsContact CA-O 3.32Å; I278-P412 WeakPolarHBondContact CA-O 3.1Å; I278-L413 HydrophobicContact CD1-CD2 3.52Å; I278-I417 HydrophobicContact CD1-CD1 3.82Å; I278-I417 HydrophobicContact CD1-CG2 4.39Å; I278-I417 HydrophobicContact CG1-CD1 4.37Å
279	V	94.7	Very high	87.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	23%	0.227	C	C	.	.			trans	-90.6	110.1	172.5	-179.5	0	0	0	0	108.9	V272 P274 K281 I289 L297 V410 P412	V272-V279 HydrophobicContact CG1-CG1 4.01Å; P274-V279 HydrophobicContact CB-CG2 4.42Å; P274-V279 HydrophobicContact CG-CG2 4.28Å; V279-K281 PolarHBondContact O-N 3.44Å; V279-K281 VanDerWaalsContact O-N 3.13Å; V279-I289 HydrophobicContact CG1-CD1 4.38Å; V279-I289 HydrophobicContact CG2-CD1 4.28Å; V279-L297 HydrophobicContact CG2-CD2 4.13Å; V279-V410 HydrophobicContact CG2-CG1 3.96Å; V279-P412 PolarHBondContact N-O 2.85Å
280	P	93.9	Very high	89.2	Confident	12 Å²	12	43.6 Å²	43.6	8%	0.078	22%	0.215	C	C	.	.			trans	-77.6	2.4	-167.9	30.4	-36.7	0	0	0	115.2	A249 E252 W253 V272 I278	A249-P280 HydrophobicContact CB-CB 4.02Å; A249-P280 WeakPolarHBondContact O-CA 2.93Å; E252-P280 CarbonylContact C-O 3.53Å; E252-P280 HydrophobicContact CB-CB 4.22Å; E252-P280 HydrophobicContact CG-CB 4.4Å; W253-P280 WeakPolarHBondContact CA-O 3.28Å; W253-P280 PolarHBondContact N-O 3.17Å; W253-P280 VanDerWaalsContact N-O 3.16Å; V272-P280 HydrophobicContact CG1-CG 4.49Å; I278-P280 WeakPolarHBondContact O-CD 3.4Å
281	K	90.9	Very high	90.6	Very high	64 Å²	64	41.9 Å²	41.9	28%	0.278	20%	0.199	S	C	.	.	S	Bend	trans	-123.1	140.5	-177	-59.7	-62.2	179.2	-172.6	0	110.4	E252 V272 V279 I284	E252-K281 VanDerWaalsContact OE1-CE 3.27Å; E252-K281 WeakPolarHBondContact OE1-CE 3.37Å; E252-K281 IonicContact OE1-NZ 3.58Å; E252-K281 PolarHBondContact OE1-NZ 3.07Å; V272-K281 HydrophobicContact CG1-CB 4.28Å; V272-K281 HydrophobicContact CG1-CG 4.05Å; V272-K281 HydrophobicContact CG2-CB 4.32Å; V272-K281 HydrophobicContact CG2-CG 4Å; V279-K281 PolarHBondContact O-N 3.44Å; V279-K281 VanDerWaalsContact O-N 3.13Å; K281-I284 HydrophobicContact CB-CD1 3.73Å; K281-I284 HydrophobicContact CB-CG1 3.62Å; K281-I284 WeakPolarHBondContact O-CG1 3.25Å
282	W	87.9	Confident	91.2	Very high	26 Å²	26	42.8 Å²	42.8	10%	0.098	21%	0.208	C	C	.	.	S	Bend	trans	-90	152.9	179.4	-177	76.7	0	0	0	111.8	S180 G183 W253 C256 R257 I284	S180-W282 PolarHBondContact O-NE1 3.37Å; G183-W282 VanDerWaalsContact CA-CZ2 3.43Å; W253-W282 AromaticContact CE2-CD1 3.87Å; W253-W282 AromaticContact CZ2-CD1 3.96Å; W253-W282 AromaticContact NE1-CD1 3.57Å; C256-W282 HydrophobicContact CB-CB 4.06Å; R257-W282 HydrophobicContact CB-CB 4.06Å; R257-W282 HydrophobicContact CB-CD2 4Å; R257-W282 HydrophobicContact CB-CG 3.66Å; R257-W282 HydrophobicContact CG-CD2 4.05Å; R257-W282 HydrophobicContact CG-CG 4.07Å; R257-W282 HydrophobicContact CG-CZ2 4.32Å; W282-I284 PolarHBondContact O-N 2.98Å
283	R	83.7	Confident	91.5	Very high	116 Å²	116	45.3 Å²	45.3	44%	0.438	22%	0.221	S	C	.	.	S	Bend	trans	56.5	42.8	179.7	-162.6	174.4	-177.9	166.2	6.1	114.4	V182 L409	V182-R283 WeakPolarHBondContact O-CA 3.22Å; R283-L409 HydrophobicContact CG-CD2 4.42Å
284	I	87.4	Confident	91.6	Very high	3 Å²	3	39 Å²	39	2%	0.015	19%	0.194	C	C	.	.			trans	-88.1	133.5	178.2	-64.9	-55.9	0	0	0	111.1	F268 V272 K281 W282 Q288 I289 L409 V410	F268-I284 HydrophobicContact CD1-CD1 4.38Å; V272-I284 HydrophobicContact CG2-CD1 3.87Å; V272-I284 HydrophobicContact CG2-CG1 4.37Å; K281-I284 HydrophobicContact CB-CD1 3.73Å; K281-I284 HydrophobicContact CB-CG1 3.62Å; K281-I284 WeakPolarHBondContact O-CG1 3.25Å; W282-I284 PolarHBondContact O-N 2.98Å; I284-Q288 HydrophobicContact CG2-CB 4.17Å; I284-I289 HydrophobicContact CG2-CD1 4.17Å; I284-I289 HydrophobicContact CG2-CG1 3.98Å; I284-L409 CarbonylContact O-C 3.19Å; I284-L409 WeakPolarHBondContact O-CA 3.47Å; I284-V410 HydrophobicContact CG2-CG2 4.32Å; I284-V410 PolarHBondContact O-N 2.86Å
285	R	88.8	Confident	91.7	Very high	51 Å²	51	39 Å²	39	19%	0.192	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-80.3	145.6	166.4	-71.5	-175	-86.7	171.8	-16.7	110	S287 Q288 D406 C408 L409	R285-S287 WeakPolarHBondContact CB-OG 3.41Å; R285-S287 PolarHBondContact O-N 3.06Å; R285-Q288 HydrophobicContact CB-CG 4.2Å; R285-Q288 WeakPolarHBondContact O-CB 3.47Å; R285-Q288 PolarHBondContact O-N 3.25Å; R285-D406 WeakPolarHBondContact CD-O 3.28Å; R285-D406 IonicContact CZ-OD1 3.93Å; R285-D406 IonicContact NE-OD1 2.99Å; R285-D406 IonicContact NH1-OD1 3.73Å; R285-D406 PolarHBondContact NH1-OD1 3.28Å; R285-D406 IonicContact NH1-OD2 3.71Å; R285-C408 WeakPolarHBondContact CA-O 3.4Å; R285-L409 HydrophobicContact CG-CD2 4.26Å
286	L	92.5	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-57.3	-35.4	-180	-176.9	66.8	0	0	0	112.7	Q288 I289 W294 L297 V299 I314 F373 S405 C408 V410	L286-Q288 PolarHBondContact O-N 2.69Å; L286-Q288 VanDerWaalsContact O-N 3.13Å; L286-I289 PolarHBondContact O-N 2.98Å; L286-I289 VanDerWaalsContact O-N 3.07Å; L286-W294 HydrophobicContact CD1-CB 4.23Å; L286-W294 HydrophobicContact CD1-CD2 3.99Å; L286-W294 HydrophobicContact CD1-CG 3.72Å; L286-W294 HydrophobicContact CD2-CD2 3.84Å; L286-W294 HydrophobicContact CD2-CE3 3.79Å; L286-W294 HydrophobicContact CD2-CG 4.35Å; L286-W294 HydrophobicContact CD2-CH2 4.48Å; L286-W294 HydrophobicContact CD2-CZ2 4.5Å; L286-W294 HydrophobicContact CD2-CZ3 4.14Å; L286-W294 HydrophobicContact CG-CD2 3.74Å; L286-W294 HydrophobicContact CG-CE3 4.21Å; L286-W294 HydrophobicContact CG-CG 4.04Å; L286-W294 HydrophobicContact CG-CZ2 4.13Å; L286-W294 PolarHBondContact O-NE1 3.06Å; L286-L297 HydrophobicContact CD1-CD1 4.14Å; L286-V299 HydrophobicContact CD1-CG1 4.3Å; L286-I314 HydrophobicContact CD1-CD1 3.52Å; L286-I314 HydrophobicContact CD2-CD1 3.47Å; L286-I314 VanDerWaalsContact CD2-CD1 3.47Å; L286-I314 HydrophobicContact CG-CD1 4.14Å; L286-F373 HydrophobicContact CD2-CD1 3.41Å; L286-F373 VanDerWaalsContact CD2-CD1 3.41Å; L286-F373 HydrophobicContact CD2-CD2 4.32Å; L286-F373 HydrophobicContact CD2-CE1 3.56Å; L286-F373 HydrophobicContact CD2-CE2 4.43Å; L286-F373 HydrophobicContact CD2-CG 3.81Å; L286-F373 HydrophobicContact CD2-CZ 4.07Å; L286-S405 WeakPolarHBondContact CB-O 3.35Å; L286-C408 PolarHBondContact N-O 2.91Å; L286-V410 HydrophobicContact CB-CG2 4.14Å; L286-V410 HydrophobicContact CD1-CG2 4.18Å
287	S	89.6	Confident	92	Very high	30 Å²	30	33.5 Å²	33.5	21%	0.21	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55.9	-23.5	174.8	53	0	0	0	0	114.9	R285 I289 D406	R285-S287 WeakPolarHBondContact CB-OG 3.41Å; R285-S287 PolarHBondContact O-N 3.06Å; S287-I289 VanDerWaalsContact C-N 3.33Å; S287-D406 WeakPolarHBondContact CB-OD1 3Å; S287-D406 PolarHBondContact OG-OD1 3.33Å
288	Q	90	Very high	92.1	Very high	20 Å²	20	33.4 Å²	33.4	9%	0.093	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-85.9	-8.3	-178.6	-60.6	169.3	-35	0	0	112.7	H271 V272 I284 R285 L286	H271-Q288 WeakPolarHBondContact CA-O 3.09Å; H271-Q288 PolarHBondContact N-O 3.13Å; V272-Q288 PolarHBondContact N-O 3.25Å; V272-Q288 VanDerWaalsContact N-O 3.09Å; I284-Q288 HydrophobicContact CG2-CB 4.17Å; R285-Q288 HydrophobicContact CB-CG 4.2Å; R285-Q288 WeakPolarHBondContact O-CB 3.47Å; R285-Q288 PolarHBondContact O-N 3.25Å; L286-Q288 PolarHBondContact O-N 2.69Å; L286-Q288 VanDerWaalsContact O-N 3.13Å
289	I	92.4	Very high	92.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-98.4	136.2	172.6	-59	-177.4	0	0	0	108	V272 V279 I284 L286 S287 Q291 N293 W294 L297 V410	V272-I289 HydrophobicContact CB-CG1 4.49Å; V279-I289 HydrophobicContact CG1-CD1 4.38Å; V279-I289 HydrophobicContact CG2-CD1 4.28Å; I284-I289 HydrophobicContact CG2-CD1 4.17Å; I284-I289 HydrophobicContact CG2-CG1 3.98Å; L286-I289 PolarHBondContact O-N 2.98Å; L286-I289 VanDerWaalsContact O-N 3.07Å; S287-I289 VanDerWaalsContact C-N 3.33Å; I289-Q291 PolarHBondContact O-N 2.74Å; I289-N293 HydrophobicContact CG2-CB 3.95Å; I289-W294 PolarHBondContact O-NE1 3.01Å; I289-L297 HydrophobicContact CD1-CD1 3.59Å; I289-L297 HydrophobicContact CG2-CD1 4.25Å; I289-V410 HydrophobicContact CD1-CB 4.37Å; I289-V410 HydrophobicContact CD1-CG1 3.99Å; I289-V410 HydrophobicContact CD1-CG2 3.93Å
290	P	92.3	Very high	91.9	Very high	30 Å²	30	33.4 Å²	33.4	20%	0.195	16%	0.164	C	C	.	.			trans	-60.4	137.8	175.6	-20.3	31.4	0	0	0	111.7	H271 V272 D292 N293	H271-P290 HydrophobicContact CB-CG 3.95Å; V272-P290 WeakPolarHBondContact O-CD 3.36Å; P290-D292 PolarHBondContact O-N 2.82Å; P290-D292 VanDerWaalsContact O-N 3.1Å; P290-N293 PolarHBondContact O-N 3.49Å; P290-N293 PolarHBondContact O-ND2 3.27Å
291	Q	92	Very high	91.7	Very high	90 Å²	90	32.9 Å²	32.9	42%	0.421	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-53.8	-35.3	-169.5	-65.4	176.4	14.8	0	0	114	I289 N293 W294 P371	I289-Q291 PolarHBondContact O-N 2.74Å; Q291-N293 PolarHBondContact O-N 2.79Å; Q291-N293 VanDerWaalsContact O-N 3.09Å; Q291-W294 HydrophobicContact CG-CD2 4.48Å; Q291-W294 HydrophobicContact CG-CH2 4.18Å; Q291-W294 HydrophobicContact CG-CZ2 3.81Å; Q291-W294 WeakPolarHBondContact O-CB 3.32Å; Q291-W294 PolarHBondContact O-N 3.09Å; Q291-P371 HydrophobicContact CG-CG 4.48Å
292	D	91.5	Very high	91.4	Very high	151 Å²	151	30.7 Å²	30.7	81%	0.807	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-58.9	-22.3	177.5	-53.6	-41.9	0	0	0	113.6	P290	P290-D292 PolarHBondContact O-N 2.82Å; P290-D292 VanDerWaalsContact O-N 3.1Å
293	N	93.1	Very high	91.1	Very high	62 Å²	62	29.7 Å²	29.7	33%	0.332	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-104.4	11	-179.1	-46	-86	0	0	0	112.9	P274 I289 P290 Q291 L297	P274-N293 HydrophobicContact CG-CB 4.27Å; I289-N293 HydrophobicContact CG2-CB 3.95Å; P290-N293 PolarHBondContact O-N 3.49Å; P290-N293 PolarHBondContact O-ND2 3.27Å; Q291-N293 PolarHBondContact O-N 2.79Å; Q291-N293 VanDerWaalsContact O-N 3.09Å; N293-L297 VanDerWaalsContact O-CD1 3.25Å; N293-L297 WeakPolarHBondContact O-CD1 3.23Å; N293-L297 WeakPolarHBondContact O-CG 3.26Å
294	W	94.8	Very high	90.9	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.008	13%	0.133	C	C	.	.			trans	-75.6	-37.6	-179.6	-74	10.2	0	0	0	112.9	L286 I289 Q291 L297 I314 V317 P371 F373	L286-W294 HydrophobicContact CD1-CB 4.23Å; L286-W294 HydrophobicContact CD1-CD2 3.99Å; L286-W294 HydrophobicContact CD1-CG 3.72Å; L286-W294 HydrophobicContact CD2-CD2 3.84Å; L286-W294 HydrophobicContact CD2-CE3 3.79Å; L286-W294 HydrophobicContact CD2-CG 4.35Å; L286-W294 HydrophobicContact CD2-CH2 4.48Å; L286-W294 HydrophobicContact CD2-CZ2 4.5Å; L286-W294 HydrophobicContact CD2-CZ3 4.14Å; L286-W294 HydrophobicContact CG-CD2 3.74Å; L286-W294 HydrophobicContact CG-CE3 4.21Å; L286-W294 HydrophobicContact CG-CG 4.04Å; L286-W294 HydrophobicContact CG-CZ2 4.13Å; L286-W294 PolarHBondContact O-NE1 3.06Å; I289-W294 PolarHBondContact O-NE1 3.01Å; Q291-W294 HydrophobicContact CG-CD2 4.48Å; Q291-W294 HydrophobicContact CG-CH2 4.18Å; Q291-W294 HydrophobicContact CG-CZ2 3.81Å; Q291-W294 WeakPolarHBondContact O-CB 3.32Å; Q291-W294 PolarHBondContact O-N 3.09Å; W294-L297 WeakPolarHBondContact O-CB 3.35Å; W294-L297 PolarHBondContact O-N 2.89Å; W294-L297 VanDerWaalsContact O-N 3.15Å; W294-I314 HydrophobicContact CB-CD1 4.34Å; W294-I314 HydrophobicContact CB-CG2 4.44Å; W294-I314 VanDerWaalsContact O-CB 3.31Å; W294-I314 WeakPolarHBondContact O-CB 3.42Å; W294-I314 WeakPolarHBondContact O-CD1 3.4Å; W294-I314 WeakPolarHBondContact O-CG2 3.45Å; W294-V317 HydrophobicContact CB-CG2 4.32Å; W294-V317 HydrophobicContact CE3-CG1 4.27Å; W294-V317 HydrophobicContact CE3-CG2 3.97Å; W294-V317 HydrophobicContact CZ3-CG1 4.23Å; W294-P371 HydrophobicContact CH2-CG 3.92Å; W294-P371 HydrophobicContact CZ3-CG 4.07Å; W294-F373 HydrophobicContact CE3-CB 4.07Å; W294-F373 HydrophobicContact CZ3-CB 4.24Å
295	V	95.5	Very high	90.3	Very high	31 Å²	31	27.9 Å²	27.9	19%	0.188	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	137.2	-175.4	-179.6	0	0	0	0	109.7	A107 Q110 L297	A107-V295 HydrophobicContact CB-CG1 3.8Å; A107-V295 VanDerWaalsContact O-CG1 3.32Å; A107-V295 WeakPolarHBondContact O-CG1 3.34Å; Q110-V295 PolarHBondContact OE1-O 3.02Å; V295-L297 VanDerWaalsContact C-N 3.26Å; V295-L297 PolarHBondContact O-N 2.95Å
296	G	95.3	Very high	89.2	Confident	5 Å²	5	29.1 Å²	29.1	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-3.9	-175.4	0	0	0	0	0	115.5	C108 I314 S415	C108-G296 WeakPolarHBondContact O-CA 3.34Å; G296-I314 PolarHBondContact N-O 3.05Å; G296-S415 WeakPolarHBondContact O-CB 3.22Å; G296-S415 PolarHBondContact O-N 3.15Å; G296-S415 PolarHBondContact O-OG 2.81Å
297	L	96.3	Very high	88.1	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.026	20%	0.197	C	C	.	.			trans	-74.9	156.1	169.3	-63.9	-177	0	0	0	112.6	P274 V279 L286 I289 N293 W294 V295 S313 I314 V410 S415	P274-L297 HydrophobicContact CG-CD2 4.02Å; V279-L297 HydrophobicContact CG2-CD2 4.13Å; L286-L297 HydrophobicContact CD1-CD1 4.14Å; I289-L297 HydrophobicContact CD1-CD1 3.59Å; I289-L297 HydrophobicContact CG2-CD1 4.25Å; N293-L297 VanDerWaalsContact O-CD1 3.25Å; N293-L297 WeakPolarHBondContact O-CD1 3.23Å; N293-L297 WeakPolarHBondContact O-CG 3.26Å; W294-L297 WeakPolarHBondContact O-CB 3.35Å; W294-L297 PolarHBondContact O-N 2.89Å; W294-L297 VanDerWaalsContact O-N 3.15Å; V295-L297 VanDerWaalsContact C-N 3.26Å; V295-L297 PolarHBondContact O-N 2.95Å; L297-S313 WeakPolarHBondContact O-CA 3.39Å; L297-I314 HydrophobicContact CB-CD1 4.34Å; L297-I314 PolarHBondContact O-N 2.9Å; L297-V410 HydrophobicContact CD1-CG1 4.19Å; L297-S415 PolarHBondContact O-OG 2.97Å
298	V	95.8	Very high	87.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.5	172.1	178.3	0	0	0	0	109.7	M311 F312 I378 H411 S415 W418	V298-M311 HydrophobicContact CG1-CB 3.66Å; V298-M311 HydrophobicContact CG1-CG 4.29Å; V298-F312 CarbonylContact C-O 3.58Å; V298-F312 WeakPolarHBondContact CA-O 3.49Å; V298-I378 HydrophobicContact CG1-CG2 4.39Å; V298-H411 HydrophobicContact CB-CB 4Å; V298-H411 HydrophobicContact CG1-CB 3.92Å; V298-H411 PolarHBondContact O-N 2.89Å; V298-S415 VanDerWaalsContact CG2-CA 3.46Å; V298-S415 WeakPolarHBondContact CG2-OG 3.32Å; V298-W418 HydrophobicContact CG2-CB 3.95Å; V298-W418 HydrophobicContact CG2-CG 4.08Å
299	V	94.9	Very high	86.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.7	-179	-64.5	0	0	0	0	113.6	L286 F312 I314 F373 C408 L409 V410	L286-V299 HydrophobicContact CD1-CG1 4.3Å; V299-F312 HydrophobicContact CG2-CB 4.29Å; V299-F312 PolarHBondContact N-O 2.8Å; V299-F312 PolarHBondContact O-N 3.49Å; V299-I314 HydrophobicContact CG1-CD1 3.89Å; V299-I314 HydrophobicContact CG1-CG1 4.36Å; V299-I314 HydrophobicContact CG2-CD1 4.42Å; V299-I314 HydrophobicContact CG2-CG1 4.17Å; V299-F373 HydrophobicContact CG2-CE2 3.69Å; V299-F373 HydrophobicContact CG2-CZ 3.79Å; V299-C408 HydrophobicContact CB-CB 4.21Å; V299-C408 HydrophobicContact CG2-CB 4.49Å; V299-L409 CarbonylContact C-O 3.58Å; V299-L409 WeakPolarHBondContact CA-O 3.3Å; V299-L409 WeakPolarHBondContact CB-O 3.34Å; V299-V410 HydrophobicContact CG1-CG2 4.18Å
300	K	91.6	Very high	86.5	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.4	167.3	-174.9	63.5	153.4	82	0	109	V182 L304 D308 G310 M311 L409	V182-K300 HydrophobicContact CB-CB 4.35Å; V182-K300 HydrophobicContact CG1-CB 4.16Å; V182-K300 HydrophobicContact CG2-CB 3.93Å; V182-K300 HydrophobicContact CG2-CG 4.2Å; K300-L304 HydrophobicContact CD-CD1 4.37Å; K300-D308 WeakPolarHBondContact CE-O 3.45Å; K300-D308 PolarHBondContact NZ-O 3.21Å; K300-G310 WeakPolarHBondContact CD-O 3.3Å; K300-M311 HydrophobicContact CB-CE 4.49Å; K300-M311 HydrophobicContact CB-SD 3.83Å; K300-M311 HydrophobicContact CD-SD 4.19Å; K300-M311 HydrophobicContact CG-SD 4.45Å; K300-L409 PolarHBondContact N-O 3.13Å; K300-L409 PolarHBondContact O-N 2.92Å
301	P	89.8	Confident	86.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.6	168.3	-20.4	29.7	0	0	0	112.2	H303 L304 F312 F403	P301-H303 WeakPolarHBondContact CB-CE1 3.48Å; P301-H303 PolarHBondContact O-N 3.46Å; P301-H303 VanDerWaalsContact O-N 3.14Å; P301-L304 HydrophobicContact CB-CD1 4.17Å; P301-L304 HydrophobicContact CB-CG 4.28Å; P301-L304 HydrophobicContact CG-CD1 3.97Å; P301-L304 PolarHBondContact O-N 3.05Å; P301-F312 HydrophobicContact CG-CD2 4.22Å; P301-F312 HydrophobicContact CG-CE2 4.46Å; P301-F403 HydrophobicContact CB-CD2 4.43Å; P301-F403 HydrophobicContact CB-CE2 4.47Å; P301-F403 HydrophobicContact CG-CD2 3.55Å; P301-F403 HydrophobicContact CG-CE1 4.48Å; P301-F403 HydrophobicContact CG-CE2 3.46Å; P301-F403 VanDerWaalsContact CG-CE2 3.46Å; P301-F403 HydrophobicContact CG-CG 4.15Å; P301-F403 HydrophobicContact CG-CZ 3.97Å
302	N	83.7	Confident	86.6	Confident	18 Å²	18	31.2 Å²	31.2	10%	0.096	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.6	-176.8	-68.3	-8.9	0	0	0	114.6	Y184 I362 A407 L409	Y184-N302 VanDerWaalsContact OH-CB 3.27Å; Y184-N302 WeakPolarHBondContact OH-CB 3.31Å; Y184-N302 PolarHBondContact OH-OD1 2.89Å; Y184-N302 VanDerWaalsContact OH-OD1 3.13Å; N302-I362 HydrophobicContact CB-CD1 3.98Å; N302-A407 VanDerWaalsContact CB-O 3.3Å; N302-A407 WeakPolarHBondContact CB-O 3.29Å; N302-A407 PolarHBondContact N-O 3.11Å; N302-A407 PolarHBondContact ND2-O 3.43Å; N302-L409 WeakPolarHBondContact OD1-CG 3.49Å
303	H	82.3	Confident	86.8	Confident	5 Å²	5	24 Å²	24	2%	0.023	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	2.3	-176.5	69.2	-100.8	0	0	0	114	P301 Y352 Y356 Q358 M359 F403	P301-H303 WeakPolarHBondContact CB-CE1 3.48Å; P301-H303 PolarHBondContact O-N 3.46Å; P301-H303 VanDerWaalsContact O-N 3.14Å; H303-Y352 AromaticContact CE1-CD1 3.87Å; H303-Y352 AromaticContact CE1-CE1 3.57Å; H303-Y352 AromaticContact ND1-CD1 3.98Å; H303-Y352 AromaticContact NE2-CE1 3.71Å; H303-Y356 HydrophobicContact CB-CD1 4.35Å; H303-Y356 HydrophobicContact CB-CD2 4.19Å; H303-Y356 HydrophobicContact CB-CG 3.85Å; H303-Y356 AromaticContact CD2-CD1 3.75Å; H303-Y356 AromaticContact CD2-CD2 3.67Å; H303-Y356 AromaticContact CD2-CE1 3.69Å; H303-Y356 AromaticContact CD2-CE2 3.61Å; H303-Y356 AromaticContact CD2-CG 3.74Å; H303-Y356 AromaticContact CD2-CZ 3.6Å; H303-Y356 AromaticContact NE2-CE2 3.96Å; H303-Y356 AromaticContact NE2-CZ 3.96Å; H303-Y356 WeakPolarHBondContact O-CD1 3.31Å; H303-Q358 PolarHBondContact O-OE1 3.34Å; H303-Q358 VanDerWaalsContact O-OE1 3.09Å; H303-M359 HydrophobicContact CB-CG 3.56Å; H303-M359 HydrophobicContact CB-SD 3.75Å; H303-F403 AromaticContact CE1-CD1 3.46Å; H303-F403 VanDerWaalsContact CE1-CD1 3.46Å; H303-F403 WeakPolarHBondContact CE1-CD1 3.23Å; H303-F403 AromaticContact CE1-CE1 3.4Å; H303-F403 VanDerWaalsContact CE1-CE1 3.4Å; H303-F403 WeakPolarHBondContact CE1-CE1 3.39Å; H303-F403 AromaticContact NE2-CE1 3.48Å; H303-F403 WeakPolarHBondContact NE2-CE1 3.28Å
304	L	80.3	Confident	87	Confident	20 Å²	20	21 Å²	21	11%	0.105	13%	0.128	C	C	.	.	S	Bend	trans	-85.1	137.3	172	-69.7	172	0	0	0	108.7	K300 P301 F312 Q358	K300-L304 HydrophobicContact CD-CD1 4.37Å; P301-L304 HydrophobicContact CB-CD1 4.17Å; P301-L304 HydrophobicContact CB-CG 4.28Å; P301-L304 HydrophobicContact CG-CD1 3.97Å; P301-L304 PolarHBondContact O-N 3.05Å; L304-F312 HydrophobicContact CD1-CD2 4.39Å; L304-F312 HydrophobicContact CD1-CE2 3.55Å; L304-F312 HydrophobicContact CD1-CZ 4.27Å; L304-Q358 PolarHBondContact O-OE1 2.76Å
305	P	73.9	Confident	87	Confident	62 Å²	62	21.5 Å²	21.5	40%	0.403	13%	0.132	S	C	.	.			trans	-60.9	155.6	178.3	28.6	-35.7	0	0	0	110.9	S307 D308	P305-S307 PolarHBondContact O-N 2.77Å; P305-S307 VanDerWaalsContact O-N 3.17Å; P305-D308 HydrophobicContact CG-CB 3.99Å; P305-D308 PolarHBondContact O-N 3.22Å
306	D	66.3	Low	87	Confident	76 Å²	76	25.3 Å²	25.3	41%	0.406	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.6	-175.8	-52.3	-24.2	0	0	0	112.4	M179 D308	M179-D306 HydrophobicContact CE-CB 4.24Å; M179-D306 WeakPolarHBondContact CE-OD1 3.46Å; M179-D306 WeakPolarHBondContact SD-CA 3.47Å; M179-D306 HydrophobicContact SD-CB 3.85Å; M179-D306 VanDerWaalsContact SD-O 3.34Å; D306-D308 VanDerWaalsContact C-N 3.3Å; D306-D308 PolarHBondContact O-N 3.01Å
307	S	68.1	Low	86.9	Confident	109 Å²	109	27 Å²	27	76%	0.762	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.9	172.2	58.6	0	0	0	0	114.6	P305 P309	P305-S307 PolarHBondContact O-N 2.77Å; P305-S307 VanDerWaalsContact O-N 3.17Å; S307-P309 VanDerWaalsContact O-CD 3.28Å; S307-P309 WeakPolarHBondContact O-CD 3.43Å
308	D	78.8	Confident	86.8	Confident	37 Å²	37	27.4 Å²	27.4	20%	0.198	16%	0.158	C	C	.	.			trans	-97.6	104.9	173.6	-172.3	-10.1	0	0	0	110.2	K300 P305 D306 G310 R377	K300-D308 WeakPolarHBondContact CE-O 3.45Å; K300-D308 PolarHBondContact NZ-O 3.21Å; P305-D308 HydrophobicContact CG-CB 3.99Å; P305-D308 PolarHBondContact O-N 3.22Å; D306-D308 VanDerWaalsContact C-N 3.3Å; D306-D308 PolarHBondContact O-N 3.01Å; D308-G310 PolarHBondContact O-N 3.31Å; D308-G310 VanDerWaalsContact OD1-CA 3.29Å; D308-G310 WeakPolarHBondContact OD1-CA 3.17Å; D308-G310 PolarHBondContact OD1-N 3.17Å; D308-R377 IonicContact OD1-CZ 3.9Å; D308-R377 IonicContact OD1-NE 3.49Å; D308-R377 IonicContact OD1-NH2 3.85Å; D308-R377 PolarHBondContact OD1-NH2 2.97Å; D308-R377 IonicContact OD2-NH2 2.73Å
309	P	75.5	Confident	86.6	Confident	53 Å²	53	33.1 Å²	33.1	34%	0.344	20%	0.198	S	C	.	.			trans	-70.7	7.2	175.8	31.7	-37.1	0	0	0	113.1	A177 S307 M311 T379	A177-P309 HydrophobicContact CB-CB 3.78Å; S307-P309 VanDerWaalsContact O-CD 3.28Å; S307-P309 WeakPolarHBondContact O-CD 3.43Å; P309-M311 PolarHBondContact O-N 2.67Å; P309-T379 WeakPolarHBondContact O-CG2 3.25Å
310	G	83.9	Confident	86.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.			trans	-53.5	98.7	-173.5	0	0	0	0	0	114.5	K300 D308 F312	K300-G310 WeakPolarHBondContact CD-O 3.3Å; D308-G310 PolarHBondContact O-N 3.31Å; D308-G310 VanDerWaalsContact OD1-CA 3.29Å; D308-G310 WeakPolarHBondContact OD1-CA 3.17Å; D308-G310 PolarHBondContact OD1-N 3.17Å; G310-F312 VanDerWaalsContact O-CD2 3.28Å; G310-F312 WeakPolarHBondContact O-CD2 3.44Å; G310-F312 WeakPolarHBondContact O-CE2 3.22Å
311	M	92.8	Very high	86.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.223	C	C	.	.			trans	-88.6	147.2	162.8	-56.6	-64.8	178.6	0	0	110.2	A177 V182 V298 K300 P309 R377 I378 T379 W418	A177-M311 HydrophobicContact CB-CG 4.31Å; A177-M311 WeakPolarHBondContact O-CE 3.43Å; V182-M311 HydrophobicContact CG1-CE 4.02Å; V182-M311 HydrophobicContact CG1-SD 4.28Å; V298-M311 HydrophobicContact CG1-CB 3.66Å; V298-M311 HydrophobicContact CG1-CG 4.29Å; K300-M311 HydrophobicContact CB-CE 4.49Å; K300-M311 HydrophobicContact CB-SD 3.83Å; K300-M311 HydrophobicContact CD-SD 4.19Å; K300-M311 HydrophobicContact CG-SD 4.45Å; P309-M311 PolarHBondContact O-N 2.67Å; M311-R377 WeakPolarHBondContact O-CA 3.49Å; M311-I378 HydrophobicContact CB-CG2 4.05Å; M311-I378 PolarHBondContact O-N 3.28Å; M311-T379 HydrophobicContact CB-CG2 3.62Å; M311-T379 HydrophobicContact CG-CG2 3.92Å; M311-T379 VanDerWaalsContact N-CG2 3.31Å; M311-W418 HydrophobicContact CG-CZ2 4.45Å
312	F	95.3	Very high	86.5	Confident	17 Å²	17	37.8 Å²	37.8	8%	0.075	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131	-175.2	-66.8	-106.5	0	0	0	110.3	V298 V299 P301 L304 G310 C375 L376 R377 F403	V298-F312 CarbonylContact C-O 3.58Å; V298-F312 WeakPolarHBondContact CA-O 3.49Å; V299-F312 HydrophobicContact CG2-CB 4.29Å; V299-F312 PolarHBondContact N-O 2.8Å; V299-F312 PolarHBondContact O-N 3.49Å; P301-F312 HydrophobicContact CG-CD2 4.22Å; P301-F312 HydrophobicContact CG-CE2 4.46Å; L304-F312 HydrophobicContact CD1-CD2 4.39Å; L304-F312 HydrophobicContact CD1-CE2 3.55Å; L304-F312 HydrophobicContact CD1-CZ 4.27Å; G310-F312 VanDerWaalsContact O-CD2 3.28Å; G310-F312 WeakPolarHBondContact O-CD2 3.44Å; G310-F312 WeakPolarHBondContact O-CE2 3.22Å; F312-C375 HydrophobicContact CB-CB 4.03Å; F312-L376 CarbonylContact C-O 3.5Å; F312-L376 WeakPolarHBondContact CA-O 3.48Å; F312-R377 HydrophobicContact CD1-CB 3.9Å; F312-R377 HydrophobicContact CD1-CG 4.47Å; F312-R377 HydrophobicContact CE1-CB 3.65Å; F312-R377 HydrophobicContact CE1-CG 4.09Å; F312-R377 HydrophobicContact CE2-CG 4.23Å; F312-R377 HydrophobicContact CZ-CB 4.04Å; F312-R377 HydrophobicContact CZ-CG 3.94Å; F312-F403 AromaticContact CD1-CE2 3.92Å; F312-F403 HydrophobicContact CD1-CE2 3.92Å; F312-F403 HydrophobicContact CD2-CE2 4.43Å; F312-F403 AromaticContact CE1-CE2 3.99Å; F312-F403 HydrophobicContact CE1-CE2 3.99Å; F312-F403 HydrophobicContact CE1-CZ 4.28Å; F312-F403 HydrophobicContact CG-CE2 4.15Å; F312-F403 HydrophobicContact CZ-CE2 4.33Å; F312-F403 HydrophobicContact CZ-CZ 4.43Å
313	S	95.8	Very high	86.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.4	170.7	179.1	0	0	0	0	109.9	C108 L297 C375 L376 S415	C108-S313 VanDerWaalsContact CB-OG 3.22Å; C108-S313 WeakPolarHBondContact CB-OG 3.23Å; C108-S313 PolarHBondContact SG-OG 3.23Å; C108-S313 VanDerWaalsContact SG-OG 3.36Å; L297-S313 WeakPolarHBondContact O-CA 3.39Å; S313-C375 CarbonylContact O-C 3.52Å; S313-C375 WeakPolarHBondContact O-CA 3.44Å; S313-C375 VanDerWaalsContact O-CB 3.22Å; S313-C375 WeakPolarHBondContact O-CB 3.36Å; S313-L376 PolarHBondContact N-O 3.27Å; S313-L376 PolarHBondContact O-N 3.47Å; S313-S415 VanDerWaalsContact CB-OG 3.26Å; S313-S415 WeakPolarHBondContact CB-OG 3.09Å; S313-S415 VanDerWaalsContact OG-CB 3.29Å; S313-S415 WeakPolarHBondContact OG-CB 3.05Å; S313-S415 PolarHBondContact OG-OG 3.39Å
314	I	96.5	Very high	87.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.1	174.8	-57.6	-173.9	0	0	0	109.4	L286 W294 G296 L297 V299 F373	L286-I314 HydrophobicContact CD1-CD1 3.52Å; L286-I314 HydrophobicContact CD2-CD1 3.47Å; L286-I314 VanDerWaalsContact CD2-CD1 3.47Å; L286-I314 HydrophobicContact CG-CD1 4.14Å; W294-I314 HydrophobicContact CB-CD1 4.34Å; W294-I314 HydrophobicContact CB-CG2 4.44Å; W294-I314 VanDerWaalsContact O-CB 3.31Å; W294-I314 WeakPolarHBondContact O-CB 3.42Å; W294-I314 WeakPolarHBondContact O-CD1 3.4Å; W294-I314 WeakPolarHBondContact O-CG2 3.45Å; G296-I314 PolarHBondContact N-O 3.05Å; L297-I314 HydrophobicContact CB-CD1 4.34Å; L297-I314 PolarHBondContact O-N 2.9Å; V299-I314 HydrophobicContact CG1-CD1 3.89Å; V299-I314 HydrophobicContact CG1-CG1 4.36Å; V299-I314 HydrophobicContact CG2-CD1 4.42Å; V299-I314 HydrophobicContact CG2-CG1 4.17Å; I314-F373 HydrophobicContact CB-CD2 4.35Å; I314-F373 HydrophobicContact CD1-CD2 3.82Å; I314-F373 HydrophobicContact CD1-CE2 4.03Å; I314-F373 HydrophobicContact CD1-CG 4.3Å; I314-F373 HydrophobicContact CG1-CD2 3.66Å; I314-F373 HydrophobicContact CG1-CE2 3.83Å; I314-F373 HydrophobicContact CG2-CB 4.27Å; I314-F373 HydrophobicContact CG2-CD2 4.07Å
315	S	95.1	Very high	87.8	Confident	12 Å²	12	43.8 Å²	43.8	8%	0.084	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-31.6	177.9	53	0	0	0	0	113.4	E374	S315-E374 PolarHBondContact N-O 2.99Å; S315-E374 WeakPolarHBondContact OG-CB 3.2Å; S315-E374 PolarHBondContact OG-O 3.22Å; S315-E374 VanDerWaalsContact OG-O 3.11Å
316	K	94.1	Very high	88.6	Confident	111 Å²	111	41.6 Å²	41.6	48%	0.483	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	149	-173.8	-164	-166.2	157.6	-160.4	0	111.5	F373 E374	K316-F373 WeakPolarHBondContact O-CA 3.4Å; K316-E374 HydrophobicContact CB-CB 4.24Å; K316-E374 WeakPolarHBondContact CD-OE1 3.47Å; K316-E374 PolarHBondContact N-O 2.89Å; K316-E374 IonicContact NZ-OE1 3.53Å; K316-E374 PolarHBondContact O-N 2.88Å
317	V	94.6	Very high	89.6	Confident	39 Å²	39	40.9 Å²	40.9	24%	0.236	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.5	164.8	-172.1	0	0	0	0	109.3	W294 P371	W294-V317 HydrophobicContact CB-CG2 4.32Å; W294-V317 HydrophobicContact CE3-CG1 4.27Å; W294-V317 HydrophobicContact CE3-CG2 3.97Å; W294-V317 HydrophobicContact CZ3-CG1 4.23Å; V317-P371 HydrophobicContact CG1-CB 3.99Å; V317-P371 HydrophobicContact CG1-CG 4.03Å
318	S	93.1	Very high	90.3	Very high	14 Å²	14	43.6 Å²	43.6	10%	0.098	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	153.4	177.5	-169.1	0	0	0	0	111.3	E320 P371 L372	S318-E320 VanDerWaalsContact C-N 3.3Å; S318-E320 PolarHBondContact OG-N 3.26Å; S318-E320 VanDerWaalsContact OG-N 3.15Å; S318-P371 WeakPolarHBondContact O-CB 3.5Å; S318-L372 VanDerWaalsContact CB-O 3.28Å; S318-L372 WeakPolarHBondContact CB-O 3.46Å; S318-L372 PolarHBondContact N-O 2.85Å
319	S	91.2	Very high	90.5	Very high	120 Å²	120	47.1 Å²	47.1	84%	0.839	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	-11	166.7	52.8	0	0	0	0	113.1
320	E	92.4	Very high	90.9	Very high	59 Å²	59	46.4 Å²	46.4	28%	0.276	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	146.3	175.8	-62.4	-176.4	159.4	0	0	110.9	S318 Y348 P371 L372	S318-E320 VanDerWaalsContact C-N 3.3Å; S318-E320 PolarHBondContact OG-N 3.26Å; S318-E320 VanDerWaalsContact OG-N 3.15Å; E320-Y348 HydrophobicContact CB-CE2 4.36Å; E320-Y348 WeakPolarHBondContact OE2-CE2 3.07Å; E320-Y348 PolarHBondContact OE2-OH 3.11Å; E320-P371 WeakPolarHBondContact O-CA 3.42Å; E320-L372 WeakPolarHBondContact O-CD1 3.48Å; E320-L372 PolarHBondContact O-N 2.83Å
321	T	93.5	Very high	90.9	Very high	40 Å²	40	46.6 Å²	46.6	25%	0.245	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	173	177.3	66.2	0	0	0	0	110.7	S323 S324 S369 L370 L372	T321-S323 PolarHBondContact O-N 3.32Å; T321-S323 VanDerWaalsContact O-N 3.1Å; T321-S324 PolarHBondContact N-OG 3.06Å; T321-S324 VanDerWaalsContact O-CB 3.27Å; T321-S324 WeakPolarHBondContact O-CB 3.38Å; T321-S324 PolarHBondContact O-N 3.5Å; T321-S324 PolarHBondContact O-OG 3.35Å; T321-S369 WeakPolarHBondContact CG2-O 3.37Å; T321-L370 WeakPolarHBondContact CA-O 3.44Å; T321-L372 VanDerWaalsContact CA-CD1 3.47Å; T321-L372 WeakPolarHBondContact O-CD1 3.13Å
322	A	89.2	Confident	90.4	Very high	2 Å²	2	49.8 Å²	49.8	2%	0.017	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.4	-178.5	0	0	0	0	0	112.9	T347 Y348 S349 P368 L404	A322-T347 WeakPolarHBondContact O-CB 3.41Å; A322-Y348 PolarHBondContact O-N 2.94Å; A322-S349 PolarHBondContact O-N 2.89Å; A322-P368 HydrophobicContact CB-CB 4.13Å; A322-P368 PolarHBondContact N-O 3.17Å; A322-L404 HydrophobicContact CB-CD2 3.55Å
323	S	89.6	Confident	89.8	Confident	70 Å²	70	55.2 Å²	55.2	49%	0.49	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.9	174.4	-58.1	0	0	0	0	114.3	T321 T347 P368	T321-S323 PolarHBondContact O-N 3.32Å; T321-S323 VanDerWaalsContact O-N 3.1Å; S323-T347 WeakPolarHBondContact O-CG2 3.32Å; S323-P368 PolarHBondContact OG-O 2.75Å
324	S	92.9	Very high	89	Confident	25 Å²	25	56.4 Å²	56.4	18%	0.175	32%	0.322	C	S	.	.	S	Bend	trans	-66.3	145.1	176.7	-63.1	0	0	0	0	111	T321 T347 Y348	T321-S324 PolarHBondContact N-OG 3.06Å; T321-S324 VanDerWaalsContact O-CB 3.27Å; T321-S324 WeakPolarHBondContact O-CB 3.38Å; T321-S324 PolarHBondContact O-N 3.5Å; T321-S324 PolarHBondContact O-OG 3.35Å; S324-T347 CarbonylContact O-C 3.6Å; S324-T347 VanDerWaalsContact O-CA 3.3Å; S324-T347 WeakPolarHBondContact O-CA 3.22Å; S324-Y348 WeakPolarHBondContact O-CD2 3.47Å; S324-Y348 PolarHBondContact O-N 3.47Å
325	P	90.9	Very high	87.8	Confident	74 Å²	74	58.3 Å²	58.3	48%	0.481	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-68.1	140	177.9	29.5	-35.2	0	0	0	110.8	P345 L346	P325-P345 HydrophobicContact CB-CB 4.09Å; P325-P345 HydrophobicContact CB-CG 4.49Å; P325-L346 CarbonylContact C-O 3.56Å; P325-L346 WeakPolarHBondContact CA-O 3.49Å
326	V	90.3	Very high	86	Confident	16 Å²	16	64.5 Å²	64.5	10%	0.097	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-74.6	145.5	173	-71.7	0	0	0	0	111.5	L330 A331 L346 Y348 Y351	V326-L330 HydrophobicContact CB-CB 4.42Å; V326-L330 HydrophobicContact CB-CD2 4.15Å; V326-L330 HydrophobicContact CG1-CD2 3.87Å; V326-A331 HydrophobicContact CG2-CB 3.84Å; V326-L346 HydrophobicContact CG2-CB 3.96Å; V326-L346 HydrophobicContact CG2-CD2 3.82Å; V326-L346 HydrophobicContact CG2-CG 4.04Å; V326-L346 WeakPolarHBondContact CG2-O 3.18Å; V326-L346 PolarHBondContact N-O 3.33Å; V326-Y348 HydrophobicContact CG1-CD1 3.49Å; V326-Y348 VanDerWaalsContact CG1-CD1 3.49Å; V326-Y348 HydrophobicContact CG1-CD2 4.02Å; V326-Y348 HydrophobicContact CG1-CE1 3.76Å; V326-Y348 HydrophobicContact CG1-CE2 4.25Å; V326-Y348 HydrophobicContact CG1-CG 3.63Å; V326-Y351 HydrophobicContact CG1-CG 4.17Å
327	P	87.8	Confident	84.3	Confident	60 Å²	60	64.3 Å²	64.3	39%	0.39	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-57	143.7	170.2	-24.9	34	0	0	0	112.1	T329 L330 A331 Y348	P327-T329 PolarHBondContact O-N 3.46Å; P327-T329 VanDerWaalsContact O-N 3.13Å; P327-L330 WeakPolarHBondContact O-CA 3.17Å; P327-L330 VanDerWaalsContact O-CB 3.32Å; P327-L330 WeakPolarHBondContact O-CB 3.47Å; P327-L330 PolarHBondContact O-N 3.45Å; P327-A331 PolarHBondContact O-N 3.23Å; P327-Y348 WeakPolarHBondContact CD-OH 3.47Å
328	E	82.9	Confident	82.2	Confident	167 Å²	167	67.3 Å²	67.3	78%	0.78	39%	0.388	S	S	*	.	H	α-helix	trans	-54	-37.1	179.8	-67.7	-174.5	150.3	0	0	112.9	L330 A331 S332	E328-L330 PolarHBondContact O-N 2.85Å; E328-A331 PolarHBondContact O-N 3.22Å; E328-S332 WeakPolarHBondContact O-CB 3.25Å; E328-S332 PolarHBondContact O-N 2.71Å; E328-S332 PolarHBondContact O-OG 2.97Å
329	T	83.6	Confident	79.9	Confident	111 Å²	111	73.2 Å²	73.2	68%	0.681	42%	0.419	S	S	*	.	H	α-helix	trans	-65.4	-17.6	176.6	64.5	0	0	0	0	114.4	P327 K333	P327-T329 PolarHBondContact O-N 3.46Å; P327-T329 VanDerWaalsContact O-N 3.13Å; T329-K333 WeakPolarHBondContact O-CE 3.22Å
330	L	83.7	Confident	78	Confident	37 Å²	37	72.3 Å²	72.3	19%	0.194	41%	0.408	C	S	.	.	H	α-helix	trans	-91.9	-45.8	171.7	-153.5	83.7	0	0	0	110	V326 P327 E328 S332 K333 Y348 Y351	V326-L330 HydrophobicContact CB-CB 4.42Å; V326-L330 HydrophobicContact CB-CD2 4.15Å; V326-L330 HydrophobicContact CG1-CD2 3.87Å; P327-L330 WeakPolarHBondContact O-CA 3.17Å; P327-L330 VanDerWaalsContact O-CB 3.32Å; P327-L330 WeakPolarHBondContact O-CB 3.47Å; P327-L330 PolarHBondContact O-N 3.45Å; E328-L330 PolarHBondContact O-N 2.85Å; L330-S332 PolarHBondContact O-N 2.76Å; L330-K333 VanDerWaalsContact O-CB 3.31Å; L330-K333 WeakPolarHBondContact O-CB 3.29Å; L330-K333 PolarHBondContact O-N 3.42Å; L330-Y348 HydrophobicContact CD2-CE1 4.12Å; L330-Y351 HydrophobicContact CD2-CD1 3.76Å; L330-Y351 HydrophobicContact CD2-CD2 4.3Å; L330-Y351 HydrophobicContact CD2-CE1 3.53Å; L330-Y351 HydrophobicContact CD2-CE2 4.12Å; L330-Y351 HydrophobicContact CD2-CG 4.13Å; L330-Y351 HydrophobicContact CG-CD2 4.48Å; L330-Y351 HydrophobicContact CG-CE1 3.98Å; L330-Y351 HydrophobicContact CG-CE2 3.92Å; L330-Y351 VanDerWaalsContact O-CE2 3.26Å; L330-Y351 WeakPolarHBondContact O-CE2 3.49Å
331	A	83	Confident	75.7	Confident	4 Å²	4	79.9 Å²	79.9	3%	0.033	44%	0.44	C	S	.	.	H	α-helix	trans	-60.6	-39.9	-178.6	0	0	0	0	0	113	V326 P327 E328 K333 L334 L346	V326-A331 HydrophobicContact CG2-CB 3.84Å; P327-A331 PolarHBondContact O-N 3.23Å; E328-A331 PolarHBondContact O-N 3.22Å; A331-K333 PolarHBondContact O-N 3.26Å; A331-L334 WeakPolarHBondContact O-CB 3.26Å; A331-L334 PolarHBondContact O-N 2.76Å; A331-L346 HydrophobicContact CB-CD2 4.33Å
332	S	82.5	Confident	73.9	Confident	67 Å²	67	82 Å²	82	47%	0.469	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.7	177.9	62.1	0	0	0	0	114.2	E328 L330 L334 G335	E328-S332 WeakPolarHBondContact O-CB 3.25Å; E328-S332 PolarHBondContact O-N 2.71Å; E328-S332 PolarHBondContact O-OG 2.97Å; L330-S332 PolarHBondContact O-N 2.76Å; S332-L334 PolarHBondContact O-N 2.75Å; S332-G335 PolarHBondContact O-N 3.47Å
333	K	83.2	Confident	72.5	Confident	131 Å²	131	85.1 Å²	85.1	57%	0.57	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-72.2	-4.4	174.4	-58.2	178.4	-178.9	172.1	0	113.7	T329 L330 A331	T329-K333 WeakPolarHBondContact O-CE 3.22Å; L330-K333 VanDerWaalsContact O-CB 3.31Å; L330-K333 WeakPolarHBondContact O-CB 3.29Å; L330-K333 PolarHBondContact O-N 3.42Å; A331-K333 PolarHBondContact O-N 3.26Å
334	L	79.7	Confident	71.5	Confident	26 Å²	26	86.8 Å²	86.8	14%	0.136	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-90.2	-4.5	173.5	-71.1	176.1	0	0	0	113.7	A331 S332 I337 L346 Y351 I354 K355	A331-L334 WeakPolarHBondContact O-CB 3.26Å; A331-L334 PolarHBondContact O-N 2.76Å; S332-L334 PolarHBondContact O-N 2.75Å; L334-I337 HydrophobicContact CB-CD1 4.47Å; L334-L346 HydrophobicContact CD1-CD2 3.45Å; L334-L346 VanDerWaalsContact CD1-CD2 3.45Å; L334-Y351 HydrophobicContact CD1-CD2 3.8Å; L334-Y351 HydrophobicContact CD1-CE2 4.4Å; L334-Y351 HydrophobicContact CG-CD2 4.03Å; L334-Y351 HydrophobicContact CG-CE2 4.13Å; L334-I354 HydrophobicContact CD1-CB 4.4Å; L334-I354 HydrophobicContact CD1-CG2 4.15Å; L334-I354 HydrophobicContact CD2-CB 4.41Å; L334-I354 HydrophobicContact CD2-CG2 3.83Å; L334-K355 HydrophobicContact CD2-CB 3.71Å; L334-K355 HydrophobicContact CD2-CG 4.13Å
335	G	70.6	Confident	70.8	Confident	39 Å²	39	90.3 Å²	90.3	40%	0.402	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	69.3	-151.5	-177.9	0	0	0	0	0	113.3	S332 I337	S332-G335 PolarHBondContact O-N 3.47Å; G335-I337 PolarHBondContact O-N 3.05Å
336	D	57.5	Low	70.6	Confident	143 Å²	143	88.8 Å²	88.8	77%	0.765	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-63.9	1.3	-167.7	-63.4	-53.8	0	0	0	116.6	Q338 N339	D336-Q338 PolarHBondContact O-N 2.88Å; D336-N339 PolarHBondContact O-N 3.26Å
337	I	57.1	Low	70.6	Confident	106 Å²	106	89.3 Å²	89.3	54%	0.544	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-58.5	-19.6	174.3	-57.2	-179.9	0	0	0	111.6	L334 G335 N339 I354	L334-I337 HydrophobicContact CB-CD1 4.47Å; G335-I337 PolarHBondContact O-N 3.05Å; I337-N339 PolarHBondContact O-N 2.8Å; I337-I354 HydrophobicContact CD1-CG2 3.8Å
338	Q	50.9	Low	70.8	Confident	102 Å²	102	86.7 Å²	86.7	48%	0.477	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-79	-7	-176.9	-63.6	-161.7	-78	0	0	116.4	D336 V340	D336-Q338 PolarHBondContact O-N 2.88Å; Q338-V340 VanDerWaalsContact C-N 3.27Å; Q338-V340 PolarHBondContact O-N 3.2Å
339	N	46.2	Very low	71	Confident	139 Å²	139	80 Å²	80	74%	0.743	47%	0.474	S	S	*	.			trans	-83.7	48.2	-171.5	-81.1	-37.3	0	0	0	115.7	D336 I337	D336-N339 PolarHBondContact O-N 3.26Å; I337-N339 PolarHBondContact O-N 2.8Å
340	V	50.3	Low	71.2	Confident	100 Å²	100	76.5 Å²	76.5	61%	0.606	45%	0.452	S	S	*	.			trans	-119.9	94.4	167.1	-174	0	0	0	0	110.1	Q338 G342 A343	Q338-V340 VanDerWaalsContact C-N 3.27Å; Q338-V340 PolarHBondContact O-N 3.2Å; V340-G342 PolarHBondContact O-N 2.67Å; V340-G342 VanDerWaalsContact O-N 3.1Å; V340-A343 HydrophobicContact CB-CB 4.21Å; V340-A343 HydrophobicContact CG1-CB 4.26Å; V340-A343 PolarHBondContact O-N 3.06Å
341	K	43.4	Very low	71.5	Confident	218 Å²	218	75 Å²	75	95%	0.948	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	114.9	171	-79.6	-175.4	173.8	-179.9	0	109.6
342	G	56.8	Low	71.7	Confident	84 Å²	84	75.3 Å²	75.3	87%	0.866	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	108	-1.5	179.6	0	0	0	0	0	115.6	V340	V340-G342 PolarHBondContact O-N 2.67Å; V340-G342 VanDerWaalsContact O-N 3.1Å
343	A	60.6	Low	71.8	Confident	69 Å²	69	77.1 Å²	77.1	57%	0.57	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-71.6	148.6	170.2	0	0	0	0	0	111.9	V340	V340-A343 HydrophobicContact CB-CB 4.21Å; V340-A343 HydrophobicContact CG1-CB 4.26Å; V340-A343 PolarHBondContact O-N 3.06Å
344	S	68.3	Low	71.9	Confident	105 Å²	105	73.8 Å²	73.8	73%	0.734	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.8	146.6	172.7	50.5	0	0	0	0	111.5	L346	S344-L346 PolarHBondContact O-N 3.36Å
345	P	78.1	Confident	72.1	Confident	98 Å²	98	76.2 Å²	76.2	64%	0.636	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-59.5	135.3	179.7	26.1	-34.8	0	0	0	110.8	P325 T347	P325-P345 HydrophobicContact CB-CB 4.09Å; P325-P345 HydrophobicContact CB-CG 4.49Å; P345-T347 PolarHBondContact O-N 3.32Å
346	L	86.9	Confident	72.6	Confident	42 Å²	42	77 Å²	77	22%	0.22	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-61.9	126.4	-176.6	-173	74.5	0	0	0	110.5	P325 V326 A331 L334 S344 D350 Y351 I354	P325-L346 CarbonylContact C-O 3.56Å; P325-L346 WeakPolarHBondContact CA-O 3.49Å; V326-L346 HydrophobicContact CG2-CB 3.96Å; V326-L346 HydrophobicContact CG2-CD2 3.82Å; V326-L346 HydrophobicContact CG2-CG 4.04Å; V326-L346 WeakPolarHBondContact CG2-O 3.18Å; V326-L346 PolarHBondContact N-O 3.33Å; A331-L346 HydrophobicContact CB-CD2 4.33Å; L334-L346 HydrophobicContact CD1-CD2 3.45Å; L334-L346 VanDerWaalsContact CD1-CD2 3.45Å; S344-L346 PolarHBondContact O-N 3.36Å; L346-D350 HydrophobicContact CD1-CB 3.39Å; L346-D350 HydrophobicContact CG-CB 4.08Å; L346-Y351 HydrophobicContact CD2-CD2 4.29Å; L346-I354 HydrophobicContact CD1-CD1 3.83Å
347	T	90.6	Very high	73.4	Confident	28 Å²	28	78 Å²	78	17%	0.172	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-84.1	166.3	177.9	71.2	0	0	0	0	112.2	A322 S323 S324 P345 S349 D350 Y351	A322-T347 WeakPolarHBondContact O-CB 3.41Å; S323-T347 WeakPolarHBondContact O-CG2 3.32Å; S324-T347 CarbonylContact O-C 3.6Å; S324-T347 VanDerWaalsContact O-CA 3.3Å; S324-T347 WeakPolarHBondContact O-CA 3.22Å; P345-T347 PolarHBondContact O-N 3.32Å; T347-S349 VanDerWaalsContact C-N 3.29Å; T347-S349 PolarHBondContact O-N 3.49Å; T347-S349 PolarHBondContact OG1-N 2.85Å; T347-D350 PolarHBondContact N-OD2 2.75Å; T347-D350 PolarHBondContact O-N 2.95Å; T347-D350 VanDerWaalsContact OG1-CG 3.25Å; T347-D350 PolarHBondContact OG1-N 3.31Å; T347-D350 VanDerWaalsContact OG1-N 3.08Å; T347-D350 PolarHBondContact OG1-OD2 3.19Å; T347-Y351 WeakPolarHBondContact O-CB 3.41Å; T347-Y351 PolarHBondContact O-N 2.73Å
348	Y	91	Very high	74.1	Confident	5 Å²	5	76.2 Å²	76.2	2%	0.02	42%	0.418	C	S	.	.	H	α-helix	trans	-60.2	-39.7	170.8	-80.8	-82.2	0	0	0	112.3	E320 A322 S324 V326 P327 L330 D350 Y351 Y352 L372 L402	E320-Y348 HydrophobicContact CB-CE2 4.36Å; E320-Y348 WeakPolarHBondContact OE2-CE2 3.07Å; E320-Y348 PolarHBondContact OE2-OH 3.11Å; A322-Y348 PolarHBondContact O-N 2.94Å; S324-Y348 WeakPolarHBondContact O-CD2 3.47Å; S324-Y348 PolarHBondContact O-N 3.47Å; V326-Y348 HydrophobicContact CG1-CD1 3.49Å; V326-Y348 VanDerWaalsContact CG1-CD1 3.49Å; V326-Y348 HydrophobicContact CG1-CD2 4.02Å; V326-Y348 HydrophobicContact CG1-CE1 3.76Å; V326-Y348 HydrophobicContact CG1-CE2 4.25Å; V326-Y348 HydrophobicContact CG1-CG 3.63Å; P327-Y348 WeakPolarHBondContact CD-OH 3.47Å; L330-Y348 HydrophobicContact CD2-CE1 4.12Å; Y348-D350 VanDerWaalsContact C-N 3.35Å; Y348-D350 PolarHBondContact O-N 3.45Å; Y348-Y351 PolarHBondContact O-N 2.86Å; Y348-Y352 HydrophobicContact CD1-CE2 4.09Å; Y348-Y352 VanDerWaalsContact O-CD2 3.26Å; Y348-Y352 WeakPolarHBondContact O-CD2 3.15Å; Y348-Y352 PolarHBondContact O-N 3.49Å; Y348-L372 HydrophobicContact CD1-CD2 3.58Å; Y348-L372 HydrophobicContact CD2-CD1 4.49Å; Y348-L372 HydrophobicContact CD2-CD2 3.99Å; Y348-L372 HydrophobicContact CE1-CD2 3.88Å; Y348-L372 HydrophobicContact CE2-CD2 4.26Å; Y348-L372 HydrophobicContact CG-CD2 3.63Å; Y348-L402 HydrophobicContact CE1-CB 4.16Å; Y348-L402 WeakPolarHBondContact OH-CD1 3.47Å
349	S	87.9	Confident	75.5	Confident	25 Å²	25	71.5 Å²	71.5	18%	0.175	40%	0.396	C	S	.	.	H	α-helix	trans	-57.9	-48.1	175	-169.6	0	0	0	0	111.1	A322 T347 R353	A322-S349 PolarHBondContact O-N 2.89Å; T347-S349 VanDerWaalsContact C-N 3.29Å; T347-S349 PolarHBondContact O-N 3.49Å; T347-S349 PolarHBondContact OG1-N 2.85Å; S349-R353 WeakPolarHBondContact O-CB 3.48Å; S349-R353 PolarHBondContact O-N 3.01Å
350	D	87.6	Confident	76.7	Confident	39 Å²	39	70.5 Å²	70.5	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-64.3	-46	177.2	-65.4	-54.8	0	0	0	112.4	L346 T347 Y348 Y352 R353 I354	L346-D350 HydrophobicContact CD1-CB 3.39Å; L346-D350 HydrophobicContact CG-CB 4.08Å; T347-D350 PolarHBondContact N-OD2 2.75Å; T347-D350 PolarHBondContact O-N 2.95Å; T347-D350 VanDerWaalsContact OG1-CG 3.25Å; T347-D350 PolarHBondContact OG1-N 3.31Å; T347-D350 VanDerWaalsContact OG1-N 3.08Å; T347-D350 PolarHBondContact OG1-OD2 3.19Å; Y348-D350 VanDerWaalsContact C-N 3.35Å; Y348-D350 PolarHBondContact O-N 3.45Å; D350-Y352 PolarHBondContact O-N 3.31Å; D350-R353 PolarHBondContact O-N 2.72Å; D350-R353 IonicContact OD1-CZ 3.97Å; D350-R353 IonicContact OD1-NE 3.59Å; D350-R353 IonicContact OD1-NH2 2.87Å; D350-R353 PolarHBondContact OD1-NH2 2.88Å; D350-I354 HydrophobicContact CB-CD1 4.5Å; D350-I354 WeakPolarHBondContact O-CB 3.28Å; D350-I354 WeakPolarHBondContact O-CG1 3.28Å; D350-I354 PolarHBondContact O-N 2.78Å
351	Y	89.8	Confident	77.6	Confident	4 Å²	4	70 Å²	70	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-57.1	-49.6	178.3	172.3	-95.7	0	0	0	111.7	V326 L330 L334 L346 T347 Y348 K355	V326-Y351 HydrophobicContact CG1-CG 4.17Å; L330-Y351 HydrophobicContact CD2-CD1 3.76Å; L330-Y351 HydrophobicContact CD2-CD2 4.3Å; L330-Y351 HydrophobicContact CD2-CE1 3.53Å; L330-Y351 HydrophobicContact CD2-CE2 4.12Å; L330-Y351 HydrophobicContact CD2-CG 4.13Å; L330-Y351 HydrophobicContact CG-CD2 4.48Å; L330-Y351 HydrophobicContact CG-CE1 3.98Å; L330-Y351 HydrophobicContact CG-CE2 3.92Å; L330-Y351 VanDerWaalsContact O-CE2 3.26Å; L330-Y351 WeakPolarHBondContact O-CE2 3.49Å; L334-Y351 HydrophobicContact CD1-CD2 3.8Å; L334-Y351 HydrophobicContact CD1-CE2 4.4Å; L334-Y351 HydrophobicContact CG-CD2 4.03Å; L334-Y351 HydrophobicContact CG-CE2 4.13Å; L346-Y351 HydrophobicContact CD2-CD2 4.29Å; T347-Y351 WeakPolarHBondContact O-CB 3.41Å; T347-Y351 PolarHBondContact O-N 2.73Å; Y348-Y351 PolarHBondContact O-N 2.86Å; Y351-K355 HydrophobicContact CE1-CD 4Å; Y351-K355 HydrophobicContact CE2-CD 3.92Å; Y351-K355 VanDerWaalsContact CZ-CD 3.46Å; Y351-K355 WeakPolarHBondContact O-CB 3.49Å; Y351-K355 PolarHBondContact O-N 3.26Å; Y351-K355 VanDerWaalsContact OH-CD 3.3Å; Y351-K355 WeakPolarHBondContact OH-CD 3.37Å; Y351-K355 PolarHBondContact OH-NZ 3.21Å
352	Y	87.1	Confident	79.1	Confident	12 Å²	12	61.5 Å²	61.5	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-66	-40	179	-81.7	-67.5	0	0	0	112	H303 Y348 D350 Y356 M359 L402 F403 L404	H303-Y352 AromaticContact CE1-CD1 3.87Å; H303-Y352 AromaticContact CE1-CE1 3.57Å; H303-Y352 AromaticContact ND1-CD1 3.98Å; H303-Y352 AromaticContact NE2-CE1 3.71Å; Y348-Y352 HydrophobicContact CD1-CE2 4.09Å; Y348-Y352 VanDerWaalsContact O-CD2 3.26Å; Y348-Y352 WeakPolarHBondContact O-CD2 3.15Å; Y348-Y352 PolarHBondContact O-N 3.49Å; D350-Y352 PolarHBondContact O-N 3.31Å; Y352-Y356 AromaticContact CD1-CD2 3.66Å; Y352-Y356 HydrophobicContact CD1-CD2 3.66Å; Y352-Y356 AromaticContact CD1-CE2 3.56Å; Y352-Y356 HydrophobicContact CD1-CE2 3.56Å; Y352-Y356 HydrophobicContact CE1-CD2 4.26Å; Y352-Y356 AromaticContact CE1-CE2 3.69Å; Y352-Y356 HydrophobicContact CE1-CE2 3.69Å; Y352-Y356 PolarHBondContact O-N 2.74Å; Y352-Y356 VanDerWaalsContact O-N 3.08Å; Y352-M359 WeakPolarHBondContact O-CB 3.42Å; Y352-M359 WeakPolarHBondContact O-CG 3.39Å; Y352-L402 PolarHBondContact OH-O 2.9Å; Y352-F403 AromaticContact CE1-CD1 3.86Å; Y352-F403 HydrophobicContact CE1-CD1 3.86Å; Y352-F403 HydrophobicContact CE1-CE1 4.05Å; Y352-F403 AromaticContact CZ-CD1 3.63Å; Y352-F403 WeakPolarHBondContact OH-CD1 3.42Å; Y352-F403 WeakPolarHBondContact OH-CE1 3.15Å; Y352-L404 HydrophobicContact CD2-CD1 3.98Å; Y352-L404 HydrophobicContact CD2-CD2 4.5Å; Y352-L404 HydrophobicContact CD2-CG 3.87Å; Y352-L404 HydrophobicContact CE2-CG 4.44Å; Y352-L404 HydrophobicContact CG-CD1 4.28Å
353	R	84	Confident	79.9	Confident	104 Å²	104	59 Å²	59	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-36.4	177.9	-176.9	175.8	64.3	158.4	-2.4	114	S349 D350 K360	S349-R353 WeakPolarHBondContact O-CB 3.48Å; S349-R353 PolarHBondContact O-N 3.01Å; D350-R353 PolarHBondContact O-N 2.72Å; D350-R353 IonicContact OD1-CZ 3.97Å; D350-R353 IonicContact OD1-NE 3.59Å; D350-R353 IonicContact OD1-NH2 2.87Å; D350-R353 PolarHBondContact OD1-NH2 2.88Å; R353-K360 HydrophobicContact CG-CG 4.02Å; R353-K360 WeakPolarHBondContact O-CE 3.4Å; R353-K360 WeakPolarHBondContact O-CG 3.24Å
354	I	85.8	Confident	80.5	Confident	62 Å²	62	63.7 Å²	63.7	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-76.6	-49.2	177.3	-66.8	170.1	0	0	0	109.7	L334 I337 L346 D350	L334-I354 HydrophobicContact CD1-CB 4.4Å; L334-I354 HydrophobicContact CD1-CG2 4.15Å; L334-I354 HydrophobicContact CD2-CB 4.41Å; L334-I354 HydrophobicContact CD2-CG2 3.83Å; I337-I354 HydrophobicContact CD1-CG2 3.8Å; L346-I354 HydrophobicContact CD1-CD1 3.83Å; D350-I354 HydrophobicContact CB-CD1 4.5Å; D350-I354 WeakPolarHBondContact O-CB 3.28Å; D350-I354 WeakPolarHBondContact O-CG1 3.28Å; D350-I354 PolarHBondContact O-N 2.78Å
355	K	83.6	Confident	80.9	Confident	76 Å²	76	61.8 Å²	61.8	33%	0.33	31%	0.308	S	S	.	.	H	α-helix	trans	-69.2	-38	-172.3	-170	170.7	174.5	-158.9	0	113.8	L334 Y351	L334-K355 HydrophobicContact CD2-CB 3.71Å; L334-K355 HydrophobicContact CD2-CG 4.13Å; Y351-K355 HydrophobicContact CE1-CD 4Å; Y351-K355 HydrophobicContact CE2-CD 3.92Å; Y351-K355 VanDerWaalsContact CZ-CD 3.46Å; Y351-K355 WeakPolarHBondContact O-CB 3.49Å; Y351-K355 PolarHBondContact O-N 3.26Å; Y351-K355 VanDerWaalsContact OH-CD 3.3Å; Y351-K355 WeakPolarHBondContact OH-CD 3.37Å; Y351-K355 PolarHBondContact OH-NZ 3.21Å
356	Y	80.4	Confident	81	Confident	55 Å²	55	57.9 Å²	57.9	22%	0.216	28%	0.282	C	S	.	.			trans	-121.3	114.4	-172.4	-54.4	-82.6	0	0	0	110.6	H303 Y352 Q358 M359	H303-Y356 HydrophobicContact CB-CD1 4.35Å; H303-Y356 HydrophobicContact CB-CD2 4.19Å; H303-Y356 HydrophobicContact CB-CG 3.85Å; H303-Y356 AromaticContact CD2-CD1 3.75Å; H303-Y356 AromaticContact CD2-CD2 3.67Å; H303-Y356 AromaticContact CD2-CE1 3.69Å; H303-Y356 AromaticContact CD2-CE2 3.61Å; H303-Y356 AromaticContact CD2-CG 3.74Å; H303-Y356 AromaticContact CD2-CZ 3.6Å; H303-Y356 AromaticContact NE2-CE2 3.96Å; H303-Y356 AromaticContact NE2-CZ 3.96Å; H303-Y356 WeakPolarHBondContact O-CD1 3.31Å; Y352-Y356 AromaticContact CD1-CD2 3.66Å; Y352-Y356 HydrophobicContact CD1-CD2 3.66Å; Y352-Y356 AromaticContact CD1-CE2 3.56Å; Y352-Y356 HydrophobicContact CD1-CE2 3.56Å; Y352-Y356 HydrophobicContact CE1-CD2 4.26Å; Y352-Y356 AromaticContact CE1-CE2 3.69Å; Y352-Y356 HydrophobicContact CE1-CE2 3.69Å; Y352-Y356 PolarHBondContact O-N 2.74Å; Y352-Y356 VanDerWaalsContact O-N 3.08Å; Y356-Q358 VanDerWaalsContact C-N 3.25Å; Y356-Q358 PolarHBondContact O-N 2.88Å; Y356-M359 WeakPolarHBondContact O-CB 3.47Å; Y356-M359 PolarHBondContact O-N 3.27Å
357	Q	74.6	Confident	81	Confident	165 Å²	165	59.2 Å²	59.2	77%	0.771	29%	0.289	S	S	*	.	H	α-helix	trans	-59	-35.4	-175.7	-172.5	172.8	-3	0	0	113	M359 K360	Q357-M359 PolarHBondContact O-N 3.29Å; Q357-K360 WeakPolarHBondContact O-CB 3.47Å; Q357-K360 PolarHBondContact O-N 2.98Å; Q357-K360 VanDerWaalsContact O-N 3.1Å
358	Q	72.7	Confident	80.8	Confident	68 Å²	68	60.8 Å²	60.8	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-23.5	175.2	-68.1	165.3	-41.3	0	0	113.7	H303 L304 Y356 K360 T361	H303-Q358 PolarHBondContact O-OE1 3.34Å; H303-Q358 VanDerWaalsContact O-OE1 3.09Å; L304-Q358 PolarHBondContact O-OE1 2.76Å; Y356-Q358 VanDerWaalsContact C-N 3.25Å; Y356-Q358 PolarHBondContact O-N 2.88Å; Q358-K360 VanDerWaalsContact C-N 3.35Å; Q358-T361 PolarHBondContact O-OG1 2.76Å
359	M	79.4	Confident	80.7	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.015	33%	0.326	C	S	.	.	H	α-helix	trans	-73.4	-27.8	176	-71.2	-65.9	-56.8	0	0	112.4	H303 Y352 Y356 Q357 T361 I362 S363 I366 L404 A407	H303-M359 HydrophobicContact CB-CG 3.56Å; H303-M359 HydrophobicContact CB-SD 3.75Å; Y352-M359 WeakPolarHBondContact O-CB 3.42Å; Y352-M359 WeakPolarHBondContact O-CG 3.39Å; Y356-M359 WeakPolarHBondContact O-CB 3.47Å; Y356-M359 PolarHBondContact O-N 3.27Å; Q357-M359 PolarHBondContact O-N 3.29Å; M359-T361 PolarHBondContact O-N 2.79Å; M359-I362 HydrophobicContact CE-CD1 4.46Å; M359-I362 PolarHBondContact O-N 2.88Å; M359-I362 VanDerWaalsContact O-N 3.17Å; M359-I362 HydrophobicContact SD-CD1 4.1Å; M359-I362 HydrophobicContact SD-CG1 4.46Å; M359-S363 WeakPolarHBondContact O-CB 3.26Å; M359-S363 PolarHBondContact O-N 2.83Å; M359-I366 HydrophobicContact CE-CD1 3.37Å; M359-L404 HydrophobicContact CE-CD1 3.8Å; M359-A407 HydrophobicContact CE-CB 3.71Å; M359-A407 HydrophobicContact SD-CB 3.9Å
360	K	71.6	Confident	80.8	Confident	119 Å²	119	64.8 Å²	64.8	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-29.4	-178.2	-61.8	-178.2	179.4	179	0	112.5	R353 Q357 Q358 I362 S363	R353-K360 HydrophobicContact CG-CG 4.02Å; R353-K360 WeakPolarHBondContact O-CE 3.4Å; R353-K360 WeakPolarHBondContact O-CG 3.24Å; Q357-K360 WeakPolarHBondContact O-CB 3.47Å; Q357-K360 PolarHBondContact O-N 2.98Å; Q357-K360 VanDerWaalsContact O-N 3.1Å; Q358-K360 VanDerWaalsContact C-N 3.35Å; K360-I362 VanDerWaalsContact C-N 3.34Å; K360-S363 PolarHBondContact O-OG 2.79Å
361	T	69.8	Low	81.1	Confident	88 Å²	88	63.8 Å²	63.8	54%	0.54	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.3	178.6	42.6	0	0	0	0	114	Q358 M359 F364	Q358-T361 PolarHBondContact O-OG1 2.76Å; M359-T361 PolarHBondContact O-N 2.79Å; T361-F364 VanDerWaalsContact O-CE1 3.31Å; T361-F364 WeakPolarHBondContact O-CE1 3.32Å
362	I	75.1	Confident	81.4	Confident	41 Å²	41	63.6 Å²	63.6	21%	0.21	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-5.6	177.6	61.4	171.1	0	0	0	113.4	N302 M359 K360 F364 T365 I366 A407	N302-I362 HydrophobicContact CB-CD1 3.98Å; M359-I362 HydrophobicContact CE-CD1 4.46Å; M359-I362 PolarHBondContact O-N 2.88Å; M359-I362 VanDerWaalsContact O-N 3.17Å; M359-I362 HydrophobicContact SD-CD1 4.1Å; M359-I362 HydrophobicContact SD-CG1 4.46Å; K360-I362 VanDerWaalsContact C-N 3.34Å; I362-F364 PolarHBondContact O-N 2.9Å; I362-T365 PolarHBondContact O-N 3.03Å; I362-T365 PolarHBondContact O-OG1 3.49Å; I362-I366 HydrophobicContact CG1-CD1 4.44Å; I362-A407 HydrophobicContact CD1-CB 4.12Å
363	S	72.5	Confident	81.8	Confident	30 Å²	30	63 Å²	63	21%	0.21	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.1	-170.9	55.2	0	0	0	0	115.3	M359 K360	M359-S363 WeakPolarHBondContact O-CB 3.26Å; M359-S363 PolarHBondContact O-N 2.83Å; K360-S363 PolarHBondContact O-OG 2.79Å
364	F	74.5	Confident	82.3	Confident	169 Å²	169	60.3 Å²	60.3	74%	0.741	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.3	175.6	66.6	-90.2	0	0	0	113.6	T361 I362	T361-F364 VanDerWaalsContact O-CE1 3.31Å; T361-F364 WeakPolarHBondContact O-CE1 3.32Å; I362-F364 PolarHBondContact O-N 2.9Å
365	T	75.3	Confident	82.7	Confident	65 Å²	65	57.3 Å²	57.3	40%	0.399	30%	0.295	S	S	.	.	S	Bend	trans	-103.1	3.7	178.7	70.2	0	0	0	0	113.3	I362	I362-T365 PolarHBondContact O-N 3.03Å; I362-T365 PolarHBondContact O-OG1 3.49Å
366	I	80.9	Confident	83.2	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.082	28%	0.282	C	S	.	.			trans	-90.9	119.9	179.9	-63.6	175.7	0	0	0	107.9	M359 I362 P368 L404 D406 A407	M359-I366 HydrophobicContact CE-CD1 3.37Å; I362-I366 HydrophobicContact CG1-CD1 4.44Å; I366-P368 VanDerWaalsContact O-CD 3.31Å; I366-P368 WeakPolarHBondContact O-CD 3.47Å; I366-L404 HydrophobicContact CD1-CD1 4.2Å; I366-D406 HydrophobicContact CB-CB 4.38Å; I366-D406 HydrophobicContact CG1-CB 4.31Å; I366-D406 HydrophobicContact CG2-CB 4.04Å; I366-A407 HydrophobicContact CD1-CB 4.12Å
367	D	86.8	Confident	83.7	Confident	69 Å²	69	55.3 Å²	55.3	37%	0.369	29%	0.286	S	S	.	.			trans	-71.2	115.7	169.7	179.7	-9.8	0	0	0	109.5	S369 L370 D406	D367-S369 VanDerWaalsContact CG-OG 3.24Å; D367-S369 PolarHBondContact O-N 2.94Å; D367-S369 VanDerWaalsContact OD1-CB 3.26Å; D367-S369 WeakPolarHBondContact OD1-CB 3.39Å; D367-S369 PolarHBondContact OD1-N 3.37Å; D367-S369 PolarHBondContact OD1-OG 3.47Å; D367-S369 PolarHBondContact OD2-OG 2.85Å; D367-L370 HydrophobicContact CB-CD1 3.92Å; D367-L370 HydrophobicContact CB-CG 3.91Å; D367-L370 PolarHBondContact O-N 2.92Å; D367-D406 PolarHBondContact N-OD2 3.19Å
368	P	85.7	Confident	84.5	Confident	61 Å²	61	47.5 Å²	47.5	40%	0.396	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.2	-176.1	35.4	-37.5	0	0	0	113.8	A322 S323 I366	A322-P368 HydrophobicContact CB-CB 4.13Å; A322-P368 PolarHBondContact N-O 3.17Å; S323-P368 PolarHBondContact OG-O 2.75Å; I366-P368 VanDerWaalsContact O-CD 3.31Å; I366-P368 WeakPolarHBondContact O-CD 3.47Å
369	S	89.3	Confident	85.3	Confident	81 Å²	81	44.8 Å²	44.8	57%	0.566	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-19.7	175.9	76.8	0	0	0	0	113.2	T321 D367	T321-S369 WeakPolarHBondContact CG2-O 3.37Å; D367-S369 VanDerWaalsContact CG-OG 3.24Å; D367-S369 PolarHBondContact O-N 2.94Å; D367-S369 VanDerWaalsContact OD1-CB 3.26Å; D367-S369 WeakPolarHBondContact OD1-CB 3.39Å; D367-S369 PolarHBondContact OD1-N 3.37Å; D367-S369 PolarHBondContact OD1-OG 3.47Å; D367-S369 PolarHBondContact OD2-OG 2.85Å
370	L	90.7	Very high	85.3	Confident	34 Å²	34	51 Å²	51	18%	0.178	26%	0.26	C	S	.	.	S	Bend	trans	-66.8	144.6	180	-67.4	177.8	0	0	0	112	T321 D367 D406	T321-L370 WeakPolarHBondContact CA-O 3.44Å; D367-L370 HydrophobicContact CB-CD1 3.92Å; D367-L370 HydrophobicContact CB-CG 3.91Å; D367-L370 PolarHBondContact O-N 2.92Å; L370-D406 HydrophobicContact CD1-CB 4.41Å
371	P	94.2	Very high	85.7	Confident	18 Å²	18	45.4 Å²	45.4	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	148.3	175.7	28.1	-33	0	0	0	111.5	Q291 W294 V317 S318 E320 S405	Q291-P371 HydrophobicContact CG-CG 4.48Å; W294-P371 HydrophobicContact CH2-CG 3.92Å; W294-P371 HydrophobicContact CZ3-CG 4.07Å; V317-P371 HydrophobicContact CG1-CB 3.99Å; V317-P371 HydrophobicContact CG1-CG 4.03Å; S318-P371 WeakPolarHBondContact O-CB 3.5Å; E320-P371 WeakPolarHBondContact O-CA 3.42Å; P371-S405 PolarHBondContact O-OG 2.91Å
372	L	95.1	Very high	86	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	170.2	162.8	-81.6	80.4	0	0	0	110.1	S318 E320 T321 Y348 L402 F403 L404	S318-L372 VanDerWaalsContact CB-O 3.28Å; S318-L372 WeakPolarHBondContact CB-O 3.46Å; S318-L372 PolarHBondContact N-O 2.85Å; E320-L372 WeakPolarHBondContact O-CD1 3.48Å; E320-L372 PolarHBondContact O-N 2.83Å; T321-L372 VanDerWaalsContact CA-CD1 3.47Å; T321-L372 WeakPolarHBondContact O-CD1 3.13Å; Y348-L372 HydrophobicContact CD1-CD2 3.58Å; Y348-L372 HydrophobicContact CD2-CD1 4.49Å; Y348-L372 HydrophobicContact CD2-CD2 3.99Å; Y348-L372 HydrophobicContact CE1-CD2 3.88Å; Y348-L372 HydrophobicContact CE2-CD2 4.26Å; Y348-L372 HydrophobicContact CG-CD2 3.63Å; L372-L402 HydrophobicContact CB-CD2 4.14Å; L372-L402 HydrophobicContact CD2-CB 3.99Å; L372-F403 WeakPolarHBondContact CA-O 3.35Å; L372-F403 WeakPolarHBondContact CB-O 3.37Å; L372-F403 WeakPolarHBondContact CG-O 3.5Å; L372-L404 HydrophobicContact CD1-CD2 3.96Å; L372-L404 HydrophobicContact CD2-CD2 4.32Å; L372-L404 HydrophobicContact CG-CD2 4.07Å
373	F	95	Very high	86.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.9	172.5	66.4	-82.4	0	0	0	110.6	L286 W294 V299 I314 K316 C375 L402 F403 C408	L286-F373 HydrophobicContact CD2-CD1 3.41Å; L286-F373 VanDerWaalsContact CD2-CD1 3.41Å; L286-F373 HydrophobicContact CD2-CD2 4.32Å; L286-F373 HydrophobicContact CD2-CE1 3.56Å; L286-F373 HydrophobicContact CD2-CE2 4.43Å; L286-F373 HydrophobicContact CD2-CG 3.81Å; L286-F373 HydrophobicContact CD2-CZ 4.07Å; W294-F373 HydrophobicContact CE3-CB 4.07Å; W294-F373 HydrophobicContact CZ3-CB 4.24Å; V299-F373 HydrophobicContact CG2-CE2 3.69Å; V299-F373 HydrophobicContact CG2-CZ 3.79Å; I314-F373 HydrophobicContact CB-CD2 4.35Å; I314-F373 HydrophobicContact CD1-CD2 3.82Å; I314-F373 HydrophobicContact CD1-CE2 4.03Å; I314-F373 HydrophobicContact CD1-CG 4.3Å; I314-F373 HydrophobicContact CG1-CD2 3.66Å; I314-F373 HydrophobicContact CG1-CE2 3.83Å; I314-F373 HydrophobicContact CG2-CB 4.27Å; I314-F373 HydrophobicContact CG2-CD2 4.07Å; K316-F373 WeakPolarHBondContact O-CA 3.4Å; F373-C375 HydrophobicContact CD2-CB 3.89Å; F373-C375 HydrophobicContact CE2-CB 3.68Å; F373-L402 WeakPolarHBondContact O-CA 3.38Å; F373-F403 WeakPolarHBondContact CD1-O 3.25Å; F373-F403 HydrophobicContact CE1-CB 3.73Å; F373-F403 WeakPolarHBondContact CE1-O 3.45Å; F373-F403 HydrophobicContact CE2-CB 4.3Å; F373-F403 HydrophobicContact CE2-CD2 4.41Å; F373-F403 HydrophobicContact CZ-CB 3.61Å; F373-F403 HydrophobicContact CZ-CD2 4.24Å; F373-F403 HydrophobicContact CZ-CG 4.45Å; F373-F403 PolarHBondContact N-O 3.43Å; F373-F403 PolarHBondContact O-N 2.93Å; F373-C408 HydrophobicContact CE1-CB 4.11Å; F373-C408 HydrophobicContact CZ-CB 3.96Å; F373-C408 VanDerWaalsContact CZ-SG 3.53Å
374	E	94.8	Very high	86.8	Confident	46 Å²	46	42.5 Å²	42.5	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.4	170.7	-67.1	178.7	-136.5	0	0	109.5	S315 K316 P400 L402	S315-E374 PolarHBondContact N-O 2.99Å; S315-E374 WeakPolarHBondContact OG-CB 3.2Å; S315-E374 PolarHBondContact OG-O 3.22Å; S315-E374 VanDerWaalsContact OG-O 3.11Å; K316-E374 HydrophobicContact CB-CB 4.24Å; K316-E374 WeakPolarHBondContact CD-OE1 3.47Å; K316-E374 PolarHBondContact N-O 2.89Å; K316-E374 IonicContact NZ-OE1 3.53Å; K316-E374 PolarHBondContact O-N 2.88Å; E374-P400 HydrophobicContact CB-CB 4.12Å; E374-P400 HydrophobicContact CG-CB 4.46Å; E374-L402 HydrophobicContact CG-CD2 3.71Å; E374-L402 HydrophobicContact CG-CG 4.24Å
375	C	94.5	Very high	87.3	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.1	179.3	70.6	0	0	0	0	114.3	F312 S313 F373 S401 F403	F312-C375 HydrophobicContact CB-CB 4.03Å; S313-C375 CarbonylContact O-C 3.52Å; S313-C375 WeakPolarHBondContact O-CA 3.44Å; S313-C375 VanDerWaalsContact O-CB 3.22Å; S313-C375 WeakPolarHBondContact O-CB 3.36Å; F373-C375 HydrophobicContact CD2-CB 3.89Å; F373-C375 HydrophobicContact CE2-CB 3.68Å; C375-S401 PolarHBondContact N-O 2.82Å; C375-S401 PolarHBondContact O-N 3.07Å; C375-S401 PolarHBondContact SG-O 3.14Å; C375-F403 WeakPolarHBondContact SG-CD2 3.41Å; C375-F403 WeakPolarHBondContact SG-CE2 3.3Å
376	L	93.7	Very high	87.9	Confident	13 Å²	13	35.5 Å²	35.5	7%	0.068	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131	-172.2	-63.5	174.3	0	0	0	111.4	L104 A105 F312 S313 I378 I398 P400	L104-L376 HydrophobicContact CD2-CB 3.62Å; A105-L376 HydrophobicContact CB-CD1 4.23Å; F312-L376 CarbonylContact C-O 3.5Å; F312-L376 WeakPolarHBondContact CA-O 3.48Å; S313-L376 PolarHBondContact N-O 3.27Å; S313-L376 PolarHBondContact O-N 3.47Å; L376-I378 PolarHBondContact O-N 3.26Å; L376-I398 HydrophobicContact CD1-CG2 3.97Å; L376-I398 HydrophobicContact CD2-CG2 3.3Å; L376-I398 HydrophobicContact CG-CG2 4.28Å; L376-P400 HydrophobicContact CD2-CB 4.08Å
377	R	92	Very high	88.2	Confident	76 Å²	76	34.8 Å²	34.8	29%	0.287	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	112.2	-173.6	-165.5	176.7	-171.4	-116.3	9.3	111.9	D308 M311 F312 R380	D308-R377 IonicContact OD1-CZ 3.9Å; D308-R377 IonicContact OD1-NE 3.49Å; D308-R377 IonicContact OD1-NH2 3.85Å; D308-R377 PolarHBondContact OD1-NH2 2.97Å; D308-R377 IonicContact OD2-NH2 2.73Å; M311-R377 WeakPolarHBondContact O-CA 3.49Å; F312-R377 HydrophobicContact CD1-CB 3.9Å; F312-R377 HydrophobicContact CD1-CG 4.47Å; F312-R377 HydrophobicContact CE1-CB 3.65Å; F312-R377 HydrophobicContact CE1-CG 4.09Å; F312-R377 HydrophobicContact CE2-CG 4.23Å; F312-R377 HydrophobicContact CZ-CB 4.04Å; F312-R377 HydrophobicContact CZ-CG 3.94Å; R377-R380 PolarHBondContact O-NE 2.99Å
378	I	91.9	Very high	88	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.184	C	C	.	.			trans	-89.1	-18.7	-173.3	-166.8	165.7	0	0	0	114	L104 F109 V298 M311 L376 R380 H381 W418 F419	L104-I378 HydrophobicContact CD1-CD1 4.1Å; L104-I378 HydrophobicContact CD1-CG1 4.2Å; F109-I378 HydrophobicContact CE1-CD1 4.21Å; V298-I378 HydrophobicContact CG1-CG2 4.39Å; M311-I378 HydrophobicContact CB-CG2 4.05Å; M311-I378 PolarHBondContact O-N 3.28Å; L376-I378 PolarHBondContact O-N 3.26Å; I378-R380 PolarHBondContact O-N 3.32Å; I378-H381 PolarHBondContact O-CD2 3.02Å; I378-W418 HydrophobicContact CD1-CE3 3.93Å; I378-W418 HydrophobicContact CG1-CE3 3.86Å; I378-W418 HydrophobicContact CG1-CZ3 4Å; I378-W418 HydrophobicContact CG2-CD2 4.28Å; I378-W418 HydrophobicContact CG2-CE3 3.98Å; I378-W418 HydrophobicContact CG2-CH2 4.43Å; I378-W418 HydrophobicContact CG2-CZ3 4.08Å; I378-F419 HydrophobicContact CD1-CB 4.46Å
379	T	87.5	Confident	87.9	Confident	10 Å²	10	34.6 Å²	34.6	6%	0.061	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-67.3	0.7	-172.2	53.9	0	0	0	0	116.8	A177 P309 M311 H381 Q382 W418	A177-T379 HydrophobicContact CB-CG2 4.18Å; P309-T379 WeakPolarHBondContact O-CG2 3.25Å; M311-T379 HydrophobicContact CB-CG2 3.62Å; M311-T379 HydrophobicContact CG-CG2 3.92Å; M311-T379 VanDerWaalsContact N-CG2 3.31Å; T379-H381 PolarHBondContact O-N 2.96Å; T379-Q382 PolarHBondContact O-OE1 3.47Å; T379-W418 HydrophobicContact CG2-CH2 3.86Å; T379-W418 HydrophobicContact CG2-CZ2 3.89Å
380	R	80.5	Confident	87.4	Confident	134 Å²	134	31.2 Å²	31.2	51%	0.506	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-72.4	-13.4	-176.3	-53.3	179.8	-160.7	-175.8	2.3	113.7	T138 R377 I378	T138-R380 WeakPolarHBondContact OG1-CB 2.91Å; R377-R380 PolarHBondContact O-NE 2.99Å; I378-R380 PolarHBondContact O-N 3.32Å
381	H	80.5	Confident	86.7	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.009	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-98.6	-0.7	-170	-47.1	-55.2	0	0	0	114.7	C102 L137 T138 I378 T379 N383 S384 F419	C102-H381 WeakPolarHBondContact CA-NE2 2.82Å; C102-H381 PolarHBondContact O-NE2 3.22Å; L137-H381 HydrophobicContact CD2-CB 4.14Å; T138-H381 WeakPolarHBondContact CB-NE2 3.3Å; T138-H381 PolarHBondContact N-CE1 2.79Å; T138-H381 VanDerWaalsContact N-CE1 3.26Å; T138-H381 PolarHBondContact N-NE2 3.16Å; T138-H381 PolarHBondContact OG1-CE1 3.35Å; T138-H381 VanDerWaalsContact OG1-CE1 3.28Å; T138-H381 PolarHBondContact OG1-ND1 3.4Å; T138-H381 PolarHBondContact OG1-NE2 2.98Å; I378-H381 PolarHBondContact O-CD2 3.02Å; T379-H381 PolarHBondContact O-N 2.96Å; H381-N383 PolarHBondContact O-N 3.27Å; H381-S384 PolarHBondContact O-N 3.46Å; H381-S384 PolarHBondContact O-OG 3.28Å; H381-F419 HydrophobicContact CB-CD2 4.38Å; H381-F419 HydrophobicContact CB-CE2 4.1Å
382	Q	76.3	Confident	85.3	Confident	48 Å²	48	41.1 Å²	41.1	22%	0.224	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-3.2	178.9	-65.7	178.9	-50.1	0	0	114.4	I176 T379 W418 P612	I176-Q382 HydrophobicContact CG2-CG 4.37Å; I176-Q382 VanDerWaalsContact CG2-NE2 3.27Å; T379-Q382 PolarHBondContact O-OE1 3.47Å; Q382-W418 HydrophobicContact CG-CH2 3.98Å; Q382-P612 WeakPolarHBondContact O-CG 3.38Å
383	N	75.9	Confident	83.4	Confident	50 Å²	50	50.3 Å²	50.3	27%	0.267	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	50.2	-177.7	-164.3	2.6	0	0	0	110.8	H381 T385 Q386 F610	H381-N383 PolarHBondContact O-N 3.27Å; N383-T385 PolarHBondContact O-N 2.67Å; N383-T385 PolarHBondContact OD1-OG1 3.01Å; N383-Q386 VanDerWaalsContact ND2-CD 3.25Å; N383-Q386 PolarHBondContact ND2-NE2 2.59Å; N383-Q386 PolarHBondContact O-N 3.26Å; N383-F610 PolarHBondContact OD1-O 3.29Å
384	S	86.9	Confident	81.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	3.6	-174.5	39.2	0	0	0	0	114.8	Y136 H381 L423 T426	Y136-S384 WeakPolarHBondContact CD2-O 3.43Å; Y136-S384 PolarHBondContact N-O 2.98Å; Y136-S384 VanDerWaalsContact O-CA 3.27Å; Y136-S384 WeakPolarHBondContact O-CA 3.17Å; Y136-S384 WeakPolarHBondContact O-CB 3.35Å; H381-S384 PolarHBondContact O-N 3.46Å; H381-S384 PolarHBondContact O-OG 3.28Å; S384-L423 WeakPolarHBondContact OG-CD2 3.38Å; S384-T426 PolarHBondContact OG-OG1 3.4Å
385	T	85.4	Confident	79.4	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.055	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-23.5	169.5	36.4	0	0	0	0	114	Y136 N383 V387 T426 Y429 F610	Y136-T385 WeakPolarHBondContact CD2-O 3.45Å; N383-T385 PolarHBondContact O-N 2.67Å; N383-T385 PolarHBondContact OD1-OG1 3.01Å; T385-V387 PolarHBondContact O-N 2.96Å; T385-T426 HydrophobicContact CG2-CG2 3.73Å; T385-Y429 HydrophobicContact CG2-CD1 3.69Å; T385-Y429 HydrophobicContact CG2-CE1 4.09Å; T385-F610 HydrophobicContact CG2-CB 4.31Å; T385-F610 HydrophobicContact CG2-CD1 3.64Å; T385-F610 HydrophobicContact CG2-CE1 4.46Å; T385-F610 HydrophobicContact CG2-CG 4.4Å; T385-F610 PolarHBondContact OG1-O 3.18Å
386	Q	87.7	Confident	77.2	Confident	77 Å²	77	66.9 Å²	66.9	36%	0.36	32%	0.32	S	S	.	.			trans	-76	112.5	-173.9	-68.9	-169.9	-6	0	0	111.8	Y136 N383 N388 A389 T609	Y136-Q386 WeakPolarHBondContact CB-O 3.29Å; N383-Q386 VanDerWaalsContact ND2-CD 3.25Å; N383-Q386 PolarHBondContact ND2-NE2 2.59Å; N383-Q386 PolarHBondContact O-N 3.26Å; Q386-N388 PolarHBondContact O-N 3.28Å; Q386-A389 VanDerWaalsContact O-CB 3.28Å; Q386-A389 WeakPolarHBondContact O-CB 3.34Å; Q386-A389 PolarHBondContact O-N 2.4Å; Q386-T609 HydrophobicContact CG-CG2 3.94Å
387	V	87	Confident	75.5	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.012	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-37.6	-178.7	69.6	0	0	0	0	113	Y136 T385 A389 R479 M491 R542 A544	Y136-V387 HydrophobicContact CE1-CG2 4.06Å; Y136-V387 HydrophobicContact CE2-CB 4.1Å; Y136-V387 HydrophobicContact CE2-CG2 4.36Å; T385-V387 PolarHBondContact O-N 2.96Å; V387-A389 VanDerWaalsContact C-N 3.3Å; V387-A389 PolarHBondContact O-N 3.43Å; V387-R479 HydrophobicContact CG2-CG 3.91Å; V387-R479 VanDerWaalsContact O-CZ 3.27Å; V387-R479 PolarHBondContact O-NE 2.94Å; V387-R479 PolarHBondContact O-NH2 2.87Å; V387-M491 HydrophobicContact CG2-SD 4.11Å; V387-R542 VanDerWaalsContact CG1-O 3.29Å; V387-R542 WeakPolarHBondContact CG1-O 3.07Å; V387-A544 HydrophobicContact CG2-CB 4.15Å
388	N	84.1	Confident	74.3	Confident	99 Å²	99	69.8 Å²	69.8	53%	0.529	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.9	-178.3	-66.3	-26.2	0	0	0	115.1	Q386 G390 L391	Q386-N388 PolarHBondContact O-N 3.28Å; N388-G390 PolarHBondContact O-N 3.44Å; N388-L391 HydrophobicContact CB-CD1 4.24Å; N388-L391 PolarHBondContact O-N 3.45Å
389	A	82.5	Confident	73.6	Confident	26 Å²	26	77.9 Å²	77.9	22%	0.215	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	133.2	175.8	0	0	0	0	0	110.5	L137 Q386 V387 R479	L137-A389 CarbonylContact O-C 3.58Å; Q386-A389 VanDerWaalsContact O-CB 3.28Å; Q386-A389 WeakPolarHBondContact O-CB 3.34Å; Q386-A389 PolarHBondContact O-N 2.4Å; V387-A389 VanDerWaalsContact C-N 3.3Å; V387-A389 PolarHBondContact O-N 3.43Å; A389-R479 PolarHBondContact O-NH2 3.3Å
390	G	78.7	Confident	73.5	Confident	10 Å²	10	80.2 Å²	80.2	10%	0.103	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-4.9	-178.3	0	0	0	0	0	116.3	L137 T138 N388 N494	L137-G390 WeakPolarHBondContact O-CA 3.36Å; L137-G390 PolarHBondContact O-N 2.96Å; T138-G390 WeakPolarHBondContact O-CA 3.49Å; N388-G390 PolarHBondContact O-N 3.44Å; G390-N494 PolarHBondContact O-ND2 2.89Å
391	L	77.5	Confident	73.9	Confident	24 Å²	24	76 Å²	76	13%	0.126	39%	0.389	C	S	.	.			trans	-79.5	-21.4	175.8	-58.2	-179.2	0	0	0	113.5	N388 K393 E492 N494	N388-L391 HydrophobicContact CB-CD1 4.24Å; N388-L391 PolarHBondContact O-N 3.45Å; L391-K393 PolarHBondContact O-N 2.91Å; L391-E492 HydrophobicContact CD1-CB 4.18Å; L391-E492 HydrophobicContact CD2-CB 4.2Å; L391-E492 WeakPolarHBondContact CD2-O 3.48Å; L391-N494 HydrophobicContact CD2-CB 4.29Å
392	R	64.3	Low	74.5	Confident	237 Å²	237	77.8 Å²	77.8	89%	0.894	40%	0.399	S	S	*	.	S	Bend	trans	-58.7	113.9	-176.5	-69.7	-174.4	176.4	-169.5	-2	111.4	N394	R392-N394 PolarHBondContact O-N 3.18Å
393	K	53.9	Low	75.2	Confident	192 Å²	192	76 Å²	76	84%	0.835	39%	0.39	S	S	*	.			trans	-24.6	119.7	178.7	-67.4	-175.8	178.7	-179.5	0	113	L391 K395	L391-K393 PolarHBondContact O-N 2.91Å; K393-K395 PolarHBondContact O-N 2.82Å
394	N	53.6	Low	76	Confident	107 Å²	107	74 Å²	74	57%	0.572	38%	0.379	S	S	*	.			trans	-39.4	95.4	-177.9	-93.3	-35.8	0	0	0	112.5	R392 A396	R392-N394 PolarHBondContact O-N 3.18Å; N394-A396 PolarHBondContact O-N 3.17Å
395	K	52.3	Low	76.2	Confident	199 Å²	199	74.2 Å²	74.2	87%	0.865	38%	0.381	S	S	*	.			trans	-66.9	122.1	168.1	-80.7	-168.8	173.2	-174.5	0	107.6	K393	K393-K395 PolarHBondContact O-N 2.82Å
396	A	49.7	Very low	76.3	Confident	89 Å²	89	74.4 Å²	74.4	74%	0.736	38%	0.381	S	S	*	.	S	Bend	trans	-51.1	141.7	-177.4	0	0	0	0	0	112	N394	N394-A396 PolarHBondContact O-N 3.17Å
397	S	58.1	Low	76.3	Confident	85 Å²	85	70.8 Å²	70.8	59%	0.594	37%	0.365	S	S	*	.	S	Bend	trans	31.3	122.4	176.6	56.2	0	0	0	0	117.9	K399	S397-K399 PolarHBondContact O-N 2.87Å
398	I	66	Low	76.5	Confident	64 Å²	64	70.8 Å²	70.8	33%	0.328	37%	0.365	S	S	.	.			trans	-58	109.6	168.5	-60.1	163.4	0	0	0	107.9	L376 P400	L376-I398 HydrophobicContact CD1-CG2 3.97Å; L376-I398 HydrophobicContact CD2-CG2 3.3Å; L376-I398 HydrophobicContact CG-CG2 4.28Å; I398-P400 VanDerWaalsContact O-CD 3.29Å; I398-P400 WeakPolarHBondContact O-CD 3.41Å
399	K	77.1	Confident	76.8	Confident	171 Å²	171	66.6 Å²	66.6	74%	0.743	34%	0.342	S	S	*	.			trans	-90	109.2	174.3	-69.6	-168.5	176.9	-172.9	0	109.1	S397	S397-K399 PolarHBondContact O-N 2.87Å
400	P	85.7	Confident	77.3	Confident	60 Å²	60	65.5 Å²	65.5	39%	0.39	33%	0.333	S	S	.	.			trans	-62.6	153.4	172.8	26.9	-33.3	0	0	0	111.1	E374 L376 I398	E374-P400 HydrophobicContact CB-CB 4.12Å; E374-P400 HydrophobicContact CG-CB 4.46Å; L376-P400 HydrophobicContact CD2-CB 4.08Å; I398-P400 VanDerWaalsContact O-CD 3.29Å; I398-P400 WeakPolarHBondContact O-CD 3.41Å
401	S	89.3	Confident	78.1	Confident	45 Å²	45	65 Å²	65	32%	0.315	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.5	172.5	-60.1	0	0	0	0	109.4	C375	C375-S401 PolarHBondContact N-O 2.82Å; C375-S401 PolarHBondContact O-N 3.07Å; C375-S401 PolarHBondContact SG-O 3.14Å
402	L	92.5	Very high	78.9	Confident	39 Å²	39	63.9 Å²	63.9	20%	0.204	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	115.5	176.9	-82.7	162.2	0	0	0	109.5	Y348 Y352 L372 F373 E374	Y348-L402 HydrophobicContact CE1-CB 4.16Å; Y348-L402 WeakPolarHBondContact OH-CD1 3.47Å; Y352-L402 PolarHBondContact OH-O 2.9Å; L372-L402 HydrophobicContact CB-CD2 4.14Å; L372-L402 HydrophobicContact CD2-CB 3.99Å; F373-L402 WeakPolarHBondContact O-CA 3.38Å; E374-L402 HydrophobicContact CG-CD2 3.71Å; E374-L402 HydrophobicContact CG-CG 4.24Å
403	F	92	Very high	80.4	Confident	11 Å²	11	52.7 Å²	52.7	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	157.1	-179.6	-66.1	-46.4	0	0	0	112.6	P301 H303 F312 Y352 L372 F373 C375	P301-F403 HydrophobicContact CB-CD2 4.43Å; P301-F403 HydrophobicContact CB-CE2 4.47Å; P301-F403 HydrophobicContact CG-CD2 3.55Å; P301-F403 HydrophobicContact CG-CE1 4.48Å; P301-F403 HydrophobicContact CG-CE2 3.46Å; P301-F403 VanDerWaalsContact CG-CE2 3.46Å; P301-F403 HydrophobicContact CG-CG 4.15Å; P301-F403 HydrophobicContact CG-CZ 3.97Å; H303-F403 AromaticContact CE1-CD1 3.46Å; H303-F403 VanDerWaalsContact CE1-CD1 3.46Å; H303-F403 WeakPolarHBondContact CE1-CD1 3.23Å; H303-F403 AromaticContact CE1-CE1 3.4Å; H303-F403 VanDerWaalsContact CE1-CE1 3.4Å; H303-F403 WeakPolarHBondContact CE1-CE1 3.39Å; H303-F403 AromaticContact NE2-CE1 3.48Å; H303-F403 WeakPolarHBondContact NE2-CE1 3.28Å; F312-F403 AromaticContact CD1-CE2 3.92Å; F312-F403 HydrophobicContact CD1-CE2 3.92Å; F312-F403 HydrophobicContact CD2-CE2 4.43Å; F312-F403 AromaticContact CE1-CE2 3.99Å; F312-F403 HydrophobicContact CE1-CE2 3.99Å; F312-F403 HydrophobicContact CE1-CZ 4.28Å; F312-F403 HydrophobicContact CG-CE2 4.15Å; F312-F403 HydrophobicContact CZ-CE2 4.33Å; F312-F403 HydrophobicContact CZ-CZ 4.43Å; Y352-F403 AromaticContact CE1-CD1 3.86Å; Y352-F403 HydrophobicContact CE1-CD1 3.86Å; Y352-F403 HydrophobicContact CE1-CE1 4.05Å; Y352-F403 AromaticContact CZ-CD1 3.63Å; Y352-F403 WeakPolarHBondContact OH-CD1 3.42Å; Y352-F403 WeakPolarHBondContact OH-CE1 3.15Å; L372-F403 WeakPolarHBondContact CA-O 3.35Å; L372-F403 WeakPolarHBondContact CB-O 3.37Å; L372-F403 WeakPolarHBondContact CG-O 3.5Å; F373-F403 WeakPolarHBondContact CD1-O 3.25Å; F373-F403 HydrophobicContact CE1-CB 3.73Å; F373-F403 WeakPolarHBondContact CE1-O 3.45Å; F373-F403 HydrophobicContact CE2-CB 4.3Å; F373-F403 HydrophobicContact CE2-CD2 4.41Å; F373-F403 HydrophobicContact CZ-CB 3.61Å; F373-F403 HydrophobicContact CZ-CD2 4.24Å; F373-F403 HydrophobicContact CZ-CG 4.45Å; F373-F403 PolarHBondContact N-O 3.43Å; F373-F403 PolarHBondContact O-N 2.93Å; C375-F403 WeakPolarHBondContact SG-CD2 3.41Å; C375-F403 WeakPolarHBondContact SG-CE2 3.3Å
404	L	92.3	Very high	82.4	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.5	173.9	-56.6	176.2	0	0	0	109.4	A322 Y352 M359 I366 L372 D406 A407 C408	A322-L404 HydrophobicContact CB-CD2 3.55Å; Y352-L404 HydrophobicContact CD2-CD1 3.98Å; Y352-L404 HydrophobicContact CD2-CD2 4.5Å; Y352-L404 HydrophobicContact CD2-CG 3.87Å; Y352-L404 HydrophobicContact CE2-CG 4.44Å; Y352-L404 HydrophobicContact CG-CD1 4.28Å; M359-L404 HydrophobicContact CE-CD1 3.8Å; I366-L404 HydrophobicContact CD1-CD1 4.2Å; L372-L404 HydrophobicContact CD1-CD2 3.96Å; L372-L404 HydrophobicContact CD2-CD2 4.32Å; L372-L404 HydrophobicContact CG-CD2 4.07Å; L404-D406 PolarHBondContact O-N 3.07Å; L404-A407 HydrophobicContact CB-CB 4Å; L404-A407 PolarHBondContact O-N 2.81Å; L404-A407 VanDerWaalsContact O-N 3.15Å; L404-C408 PolarHBondContact O-SG 3.09Å
405	S	91.5	Very high	84.4	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.028	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.5	-45.7	-177.1	41.1	0	0	0	0	112.8	L286 P371 A407 C408	L286-S405 WeakPolarHBondContact CB-O 3.35Å; P371-S405 PolarHBondContact O-OG 2.91Å; S405-A407 PolarHBondContact O-N 2.69Å; S405-C408 PolarHBondContact O-N 2.76Å
406	D	86.7	Confident	86.5	Confident	13 Å²	13	30.1 Å²	30.1	7%	0.07	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64	-21.6	177.1	-115.7	-21	0	0	0	114.4	R285 S287 I366 D367 L370 L404	R285-D406 WeakPolarHBondContact CD-O 3.28Å; R285-D406 IonicContact CZ-OD1 3.93Å; R285-D406 IonicContact NE-OD1 2.99Å; R285-D406 IonicContact NH1-OD1 3.73Å; R285-D406 PolarHBondContact NH1-OD1 3.28Å; R285-D406 IonicContact NH1-OD2 3.71Å; S287-D406 WeakPolarHBondContact CB-OD1 3Å; S287-D406 PolarHBondContact OG-OD1 3.33Å; I366-D406 HydrophobicContact CB-CB 4.38Å; I366-D406 HydrophobicContact CG1-CB 4.31Å; I366-D406 HydrophobicContact CG2-CB 4.04Å; D367-D406 PolarHBondContact N-OD2 3.19Å; L370-D406 HydrophobicContact CD1-CB 4.41Å; L404-D406 PolarHBondContact O-N 3.07Å
407	A	87.7	Confident	88.7	Confident	2 Å²	2	26 Å²	26	2%	0.017	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-97.6	14.6	-178.9	0	0	0	0	0	113.4	N302 M359 I362 I366 L404 S405	N302-A407 VanDerWaalsContact CB-O 3.3Å; N302-A407 WeakPolarHBondContact CB-O 3.29Å; N302-A407 PolarHBondContact N-O 3.11Å; N302-A407 PolarHBondContact ND2-O 3.43Å; M359-A407 HydrophobicContact CE-CB 3.71Å; M359-A407 HydrophobicContact SD-CB 3.9Å; I362-A407 HydrophobicContact CD1-CB 4.12Å; I366-A407 HydrophobicContact CD1-CB 4.12Å; L404-A407 HydrophobicContact CB-CB 4Å; L404-A407 PolarHBondContact O-N 2.81Å; L404-A407 VanDerWaalsContact O-N 3.15Å; S405-A407 PolarHBondContact O-N 2.69Å
408	C	90.3	Very high	90.5	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125	-178.7	-65.8	0	0	0	0	111	R285 L286 V299 F373 L404 S405	R285-C408 WeakPolarHBondContact CA-O 3.4Å; L286-C408 PolarHBondContact N-O 2.91Å; V299-C408 HydrophobicContact CB-CB 4.21Å; V299-C408 HydrophobicContact CG2-CB 4.49Å; F373-C408 HydrophobicContact CE1-CB 4.11Å; F373-C408 HydrophobicContact CZ-CB 3.96Å; F373-C408 VanDerWaalsContact CZ-SG 3.53Å; L404-C408 PolarHBondContact O-SG 3.09Å; S405-C408 PolarHBondContact O-N 2.76Å
409	L	90.4	Very high	91.9	Very high	11 Å²	11	18.9 Å²	18.9	6%	0.058	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	143.2	173.9	-65.2	171.7	0	0	0	110.5	V182 Y184 R283 I284 R285 V299 K300 N302	V182-L409 HydrophobicContact CB-CB 3.99Å; V182-L409 WeakPolarHBondContact O-CD1 3.27Å; Y184-L409 HydrophobicContact CD2-CD1 3.91Å; Y184-L409 HydrophobicContact CE2-CD1 3.45Å; Y184-L409 VanDerWaalsContact CE2-CD1 3.45Å; R283-L409 HydrophobicContact CG-CD2 4.42Å; I284-L409 CarbonylContact O-C 3.19Å; I284-L409 WeakPolarHBondContact O-CA 3.47Å; R285-L409 HydrophobicContact CG-CD2 4.26Å; V299-L409 CarbonylContact C-O 3.58Å; V299-L409 WeakPolarHBondContact CA-O 3.3Å; V299-L409 WeakPolarHBondContact CB-O 3.34Å; K300-L409 PolarHBondContact N-O 3.13Å; K300-L409 PolarHBondContact O-N 2.92Å; N302-L409 WeakPolarHBondContact OD1-CG 3.49Å
410	V	93.3	Very high	92.8	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.024	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.8	-176.3	-172	0	0	0	0	110.2	V279 I284 L286 I289 L297 V299	V279-V410 HydrophobicContact CG2-CG1 3.96Å; I284-V410 HydrophobicContact CG2-CG2 4.32Å; I284-V410 PolarHBondContact O-N 2.86Å; L286-V410 HydrophobicContact CB-CG2 4.14Å; L286-V410 HydrophobicContact CD1-CG2 4.18Å; I289-V410 HydrophobicContact CD1-CB 4.37Å; I289-V410 HydrophobicContact CD1-CG1 3.99Å; I289-V410 HydrophobicContact CD1-CG2 3.93Å; L297-V410 HydrophobicContact CD1-CG1 4.19Å; V299-V410 HydrophobicContact CG1-CG2 4.18Å
411	H	95	Very high	93.2	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	P	Polyproline II helix	trans	-82.3	144.9	173	-173.9	-85.4	0	0	0	109.9	I176 H181 V182 V298 L413 W418	I176-H411 PolarHBondContact O-NE2 3.46Å; H181-H411 AromaticContact ND1-NE2 3.85Å; V182-H411 HydrophobicContact CG1-CB 3.9Å; V298-H411 HydrophobicContact CB-CB 4Å; V298-H411 HydrophobicContact CG1-CB 3.92Å; V298-H411 PolarHBondContact O-N 2.89Å; H411-L413 VanDerWaalsContact C-N 3.25Å; H411-L413 PolarHBondContact ND1-N 2.97Å; H411-L413 PolarHBondContact O-N 3.42Å; H411-W418 AromaticContact CE1-CD1 3.44Å; H411-W418 VanDerWaalsContact CE1-CD1 3.44Å; H411-W418 AromaticContact CE1-NE1 3.81Å; H411-W418 AromaticContact ND1-CD1 3.46Å; H411-W418 AromaticContact NE2-NE1 3.93Å
412	P	95.3	Very high	93.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-54	-38.7	-178.3	18.3	-34.4	0	0	0	114.3	L172 W253 I278 V279	L172-P412 HydrophobicContact CD2-CG 4.48Å; W253-P412 HydrophobicContact CD2-CB 3.77Å; W253-P412 HydrophobicContact CD2-CG 3.97Å; W253-P412 VanDerWaalsContact CE2-CG 3.48Å; W253-P412 HydrophobicContact CE3-CB 4.42Å; W253-P412 HydrophobicContact CE3-CG 4.45Å; W253-P412 HydrophobicContact CG-CB 3.82Å; W253-P412 HydrophobicContact CG-CG 4.49Å; W253-P412 HydrophobicContact CH2-CG 4.15Å; W253-P412 HydrophobicContact CZ2-CB 4.31Å; W253-P412 HydrophobicContact CZ2-CG 3.59Å; I278-P412 CarbonylContact C-O 3.57Å; I278-P412 VanDerWaalsContact CA-O 3.32Å; I278-P412 WeakPolarHBondContact CA-O 3.1Å; V279-P412 PolarHBondContact N-O 2.85Å
413	L	96.2	Very high	93.6	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.01	3%	0.025	C	C	.	.	B	Isolated β-bridge	trans	-88.5	134.1	-176.2	-49.1	-179.2	0	0	0	111.8	L172 I176 L250 I278 H411 I417 W418 V421	L172-L413 HydrophobicContact CD1-CD1 4.31Å; L172-L413 HydrophobicContact CD1-CD2 4.26Å; L172-L413 HydrophobicContact CD1-CG 4.43Å; I176-L413 HydrophobicContact CD1-CD1 4.25Å; L250-L413 HydrophobicContact CD1-CD2 4.19Å; I278-L413 HydrophobicContact CD1-CD2 3.52Å; H411-L413 VanDerWaalsContact C-N 3.25Å; H411-L413 PolarHBondContact ND1-N 2.97Å; H411-L413 PolarHBondContact O-N 3.42Å; L413-I417 HydrophobicContact CB-CB 4.38Å; L413-I417 HydrophobicContact CB-CG2 4.35Å; L413-I417 HydrophobicContact CD1-CG2 4.34Å; L413-I417 HydrophobicContact CD2-CG2 3.99Å; L413-I417 HydrophobicContact CG-CG2 4.44Å; L413-W418 HydrophobicContact CB-CB 4.04Å; L413-V421 HydrophobicContact CD1-CB 4.15Å; L413-V421 HydrophobicContact CD1-CG1 4.28Å; L413-V421 HydrophobicContact CD1-CG2 4.01Å
414	S	95.8	Very high	93.8	Very high	7 Å²	7	4 Å²	4	5%	0.049	2%	0.022	C	C	.	.			trans	-58.3	162.1	162.5	73.6	0	0	0	0	111.2	G277 W416 I417 W418	G277-S414 VanDerWaalsContact O-CB 3.24Å; G277-S414 WeakPolarHBondContact O-CB 3.4Å; G277-S414 PolarHBondContact O-N 3.2Å; G277-S414 PolarHBondContact O-OG 3.22Å; S414-W416 VanDerWaalsContact C-N 3.26Å; S414-W416 PolarHBondContact O-N 2.97Å; S414-I417 PolarHBondContact O-N 2.85Å; S414-W418 WeakPolarHBondContact O-CB 3.07Å; S414-W418 PolarHBondContact O-N 3.3Å
415	S	96.3	Very high	94	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.8	-32.7	-174.8	-58.6	0	0	0	0	112.9	C108 F109 G296 L297 V298 S313 F419	C108-S415 VanDerWaalsContact O-CB 3.25Å; C108-S415 WeakPolarHBondContact O-CB 3.25Å; F109-S415 WeakPolarHBondContact CE1-O 3.34Å; G296-S415 WeakPolarHBondContact O-CB 3.22Å; G296-S415 PolarHBondContact O-N 3.15Å; G296-S415 PolarHBondContact O-OG 2.81Å; L297-S415 PolarHBondContact O-OG 2.97Å; V298-S415 VanDerWaalsContact CG2-CA 3.46Å; V298-S415 WeakPolarHBondContact CG2-OG 3.32Å; S313-S415 VanDerWaalsContact CB-OG 3.26Å; S313-S415 WeakPolarHBondContact CB-OG 3.09Å; S313-S415 VanDerWaalsContact OG-CB 3.29Å; S313-S415 WeakPolarHBondContact OG-CB 3.05Å; S313-S415 PolarHBondContact OG-OG 3.39Å; S415-F419 WeakPolarHBondContact O-CB 3.28Å; S415-F419 PolarHBondContact O-N 3.44Å
416	W	95.7	Very high	94.1	Very high	16 Å²	16	3.8 Å²	3.8	6%	0.061	2%	0.021	C	C	.	.	H	α-helix	trans	-69.1	-49.6	174.7	177.1	-113.5	0	0	0	111.8	L92 F109 T112 T114 S414 F419 Q420	L92-W416 HydrophobicContact CD1-CH2 4.01Å; F109-W416 HydrophobicContact CB-CE3 4.02Å; F109-W416 HydrophobicContact CD1-CB 4.4Å; F109-W416 HydrophobicContact CD1-CE3 4.24Å; F109-W416 AromaticContact CD2-CE3 3.62Å; F109-W416 HydrophobicContact CD2-CE3 3.62Å; F109-W416 AromaticContact CD2-CZ3 3.81Å; F109-W416 HydrophobicContact CD2-CZ3 3.81Å; F109-W416 HydrophobicContact CE2-CE3 4.1Å; F109-W416 HydrophobicContact CE2-CZ3 4.18Å; F109-W416 AromaticContact CG-CE3 3.72Å; F109-W416 HydrophobicContact CG-CE3 3.72Å; F109-W416 HydrophobicContact CG-CZ3 4.36Å; T112-W416 HydrophobicContact CG2-CD2 3.93Å; T112-W416 HydrophobicContact CG2-CE3 4.34Å; T112-W416 HydrophobicContact CG2-CG 4.15Å; T112-W416 HydrophobicContact CG2-CZ2 4.45Å; T114-W416 VanDerWaalsContact O-CD1 3.32Å; T114-W416 PolarHBondContact O-NE1 3.19Å; S414-W416 VanDerWaalsContact C-N 3.26Å; S414-W416 PolarHBondContact O-N 2.97Å; W416-F419 HydrophobicContact CE3-CD1 4.45Å; W416-F419 HydrophobicContact CZ3-CD1 4.36Å; W416-F419 PolarHBondContact O-N 3.14Å; W416-Q420 VanDerWaalsContact CE2-NE2 3.29Å; W416-Q420 HydrophobicContact CZ2-CG 4.42Å; W416-Q420 WeakPolarHBondContact O-CG 3.46Å; W416-Q420 PolarHBondContact O-N 2.82Å
417	I	95.8	Very high	94.6	Very high	3 Å²	3	3.1 Å²	3.1	2%	0.015	2%	0.017	C	C	.	.	H	α-helix	trans	-67.3	-42.1	179.4	-59.3	176.5	0	0	0	110.1	T114 L234 H276 I278 L413 S414 F419 Q420 V421	T114-I417 HydrophobicContact CG2-CD1 4.04Å; T114-I417 HydrophobicContact CG2-CG1 4.47Å; L234-I417 HydrophobicContact CD2-CG2 4.06Å; H276-I417 WeakPolarHBondContact O-CD1 3.48Å; I278-I417 HydrophobicContact CD1-CD1 3.82Å; I278-I417 HydrophobicContact CD1-CG2 4.39Å; I278-I417 HydrophobicContact CG1-CD1 4.37Å; L413-I417 HydrophobicContact CB-CB 4.38Å; L413-I417 HydrophobicContact CB-CG2 4.35Å; L413-I417 HydrophobicContact CD1-CG2 4.34Å; L413-I417 HydrophobicContact CD2-CG2 3.99Å; L413-I417 HydrophobicContact CG-CG2 4.44Å; S414-I417 PolarHBondContact O-N 2.85Å; I417-F419 VanDerWaalsContact C-N 3.33Å; I417-F419 PolarHBondContact O-N 3.5Å; I417-Q420 PolarHBondContact O-N 2.89Å; I417-V421 HydrophobicContact CG2-CG2 4.08Å; I417-V421 WeakPolarHBondContact O-CB 3.43Å; I417-V421 VanDerWaalsContact O-CG2 3.23Å; I417-V421 WeakPolarHBondContact O-CG2 3.45Å; I417-V421 PolarHBondContact O-N 3.13Å
418	W	95.8	Very high	95	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-55.8	-47.8	173.5	-167.6	99.8	0	0	0	111.3	I176 A177 V298 M311 I378 T379 Q382 H411 L413 S414 V421 S422	I176-W418 HydrophobicContact CB-CZ2 4.42Å; I176-W418 HydrophobicContact CD1-CD2 3.84Å; I176-W418 HydrophobicContact CD1-CE3 4.47Å; I176-W418 HydrophobicContact CD1-CG 3.87Å; I176-W418 HydrophobicContact CD1-CZ2 4.34Å; I176-W418 WeakPolarHBondContact CD1-O 3.36Å; I176-W418 HydrophobicContact CG1-CD2 4.45Å; I176-W418 HydrophobicContact CG1-CG 4.47Å; I176-W418 HydrophobicContact CG1-CZ2 4.35Å; I176-W418 HydrophobicContact CG2-CH2 3.97Å; I176-W418 HydrophobicContact CG2-CZ2 3.58Å; I176-W418 PolarHBondContact O-NE1 3.2Å; I176-W418 VanDerWaalsContact O-NE1 3.16Å; A177-W418 HydrophobicContact CB-CZ2 4.48Å; V298-W418 HydrophobicContact CG2-CB 3.95Å; V298-W418 HydrophobicContact CG2-CG 4.08Å; M311-W418 HydrophobicContact CG-CZ2 4.45Å; I378-W418 HydrophobicContact CD1-CE3 3.93Å; I378-W418 HydrophobicContact CG1-CE3 3.86Å; I378-W418 HydrophobicContact CG1-CZ3 4Å; I378-W418 HydrophobicContact CG2-CD2 4.28Å; I378-W418 HydrophobicContact CG2-CE3 3.98Å; I378-W418 HydrophobicContact CG2-CH2 4.43Å; I378-W418 HydrophobicContact CG2-CZ3 4.08Å; T379-W418 HydrophobicContact CG2-CH2 3.86Å; T379-W418 HydrophobicContact CG2-CZ2 3.89Å; Q382-W418 HydrophobicContact CG-CH2 3.98Å; H411-W418 AromaticContact CE1-CD1 3.44Å; H411-W418 VanDerWaalsContact CE1-CD1 3.44Å; H411-W418 AromaticContact CE1-NE1 3.81Å; H411-W418 AromaticContact ND1-CD1 3.46Å; H411-W418 AromaticContact NE2-NE1 3.93Å; L413-W418 HydrophobicContact CB-CB 4.04Å; S414-W418 WeakPolarHBondContact O-CB 3.07Å; S414-W418 PolarHBondContact O-N 3.3Å; W418-V421 PolarHBondContact O-N 3.47Å; W418-S422 WeakPolarHBondContact O-CB 3.26Å; W418-S422 PolarHBondContact O-N 2.92Å
419	F	95.5	Very high	95.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-59.7	-49.9	176.4	175.3	-109.6	0	0	0	111.3	L92 M98 C102 F109 L137 I378 H381 S415 W416 I417 V421 S422 L423	L92-F419 HydrophobicContact CD1-CE1 4.33Å; M98-F419 HydrophobicContact CE-CE1 3.6Å; M98-F419 HydrophobicContact CE-CZ 3.56Å; C102-F419 WeakPolarHBondContact SG-CE2 3.4Å; F109-F419 HydrophobicContact CE1-CB 3.89Å; F109-F419 HydrophobicContact CE1-CG 4.25Å; F109-F419 AromaticContact CE2-CD1 3.97Å; F109-F419 HydrophobicContact CE2-CD1 3.97Å; F109-F419 HydrophobicContact CE2-CE1 4.31Å; F109-F419 HydrophobicContact CE2-CG 4.24Å; F109-F419 HydrophobicContact CZ-CB 3.72Å; F109-F419 AromaticContact CZ-CD1 3.76Å; F109-F419 HydrophobicContact CZ-CD1 3.76Å; F109-F419 HydrophobicContact CZ-CD2 4.07Å; F109-F419 HydrophobicContact CZ-CE1 4.4Å; F109-F419 AromaticContact CZ-CG 3.56Å; F109-F419 HydrophobicContact CZ-CG 3.56Å; L137-F419 HydrophobicContact CD1-CZ 4.16Å; L137-F419 HydrophobicContact CD2-CE2 4.11Å; L137-F419 HydrophobicContact CD2-CZ 4.29Å; I378-F419 HydrophobicContact CD1-CB 4.46Å; H381-F419 HydrophobicContact CB-CD2 4.38Å; H381-F419 HydrophobicContact CB-CE2 4.1Å; S415-F419 WeakPolarHBondContact O-CB 3.28Å; S415-F419 PolarHBondContact O-N 3.44Å; W416-F419 HydrophobicContact CE3-CD1 4.45Å; W416-F419 HydrophobicContact CZ3-CD1 4.36Å; W416-F419 PolarHBondContact O-N 3.14Å; I417-F419 VanDerWaalsContact C-N 3.33Å; I417-F419 PolarHBondContact O-N 3.5Å; F419-V421 PolarHBondContact O-N 3.14Å; F419-S422 WeakPolarHBondContact O-CB 3.33Å; F419-S422 PolarHBondContact O-N 2.94Å; F419-S422 VanDerWaalsContact O-N 3.17Å; F419-S422 PolarHBondContact O-OG 3.36Å; F419-L423 HydrophobicContact CD1-CD1 4.31Å; F419-L423 HydrophobicContact CE1-CD1 3.68Å; F419-L423 HydrophobicContact CE1-CG 4.43Å; F419-L423 HydrophobicContact CE2-CD1 4.39Å; F419-L423 HydrophobicContact CE2-CD2 4.2Å; F419-L423 HydrophobicContact CE2-CG 4.37Å; F419-L423 HydrophobicContact CZ-CD1 3.72Å; F419-L423 HydrophobicContact CZ-CD2 4.18Å; F419-L423 HydrophobicContact CZ-CG 4.18Å; F419-L423 WeakPolarHBondContact O-CG 3.42Å; F419-L423 PolarHBondContact O-N 2.85Å
420	Q	95.1	Very high	95.5	Very high	3 Å²	3	4.9 Å²	4.9	1%	0.014	2%	0.023	C	C	.	.	H	α-helix	trans	-60.4	-45.7	178.3	-71.8	-147.5	12.4	0	0	113.4	T115 V116 W416 I417 S422 L423 V424	T115-Q420 VanDerWaalsContact CA-OE1 3.3Å; T115-Q420 PolarHBondContact OG1-NE2 3.02Å; T115-Q420 PolarHBondContact OG1-OE1 3.17Å; V116-Q420 HydrophobicContact CG2-CB 3.86Å; W416-Q420 VanDerWaalsContact CE2-NE2 3.29Å; W416-Q420 HydrophobicContact CZ2-CG 4.42Å; W416-Q420 WeakPolarHBondContact O-CG 3.46Å; W416-Q420 PolarHBondContact O-N 2.82Å; I417-Q420 PolarHBondContact O-N 2.89Å; Q420-S422 PolarHBondContact O-N 3.16Å; Q420-L423 WeakPolarHBondContact O-CB 3.47Å; Q420-L423 PolarHBondContact O-N 3.26Å; Q420-V424 PolarHBondContact O-N 2.69Å
421	V	95.4	Very high	95.6	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.024	2%	0.022	C	C	.	.	H	α-helix	trans	-61.4	-35.3	177.5	174.6	0	0	0	0	110.4	V116 I173 I176 L413 I417 W418 F419 L423 V424	V116-V421 HydrophobicContact CG2-CG2 3.88Å; I173-V421 HydrophobicContact CD1-CG1 4.47Å; I173-V421 HydrophobicContact CG1-CG1 3.46Å; I173-V421 VanDerWaalsContact CG1-CG1 3.46Å; I176-V421 HydrophobicContact CD1-CB 3.72Å; I176-V421 HydrophobicContact CD1-CG1 3.58Å; I176-V421 HydrophobicContact CG1-CG1 4.23Å; L413-V421 HydrophobicContact CD1-CB 4.15Å; L413-V421 HydrophobicContact CD1-CG1 4.28Å; L413-V421 HydrophobicContact CD1-CG2 4.01Å; I417-V421 HydrophobicContact CG2-CG2 4.08Å; I417-V421 WeakPolarHBondContact O-CB 3.43Å; I417-V421 VanDerWaalsContact O-CG2 3.23Å; I417-V421 WeakPolarHBondContact O-CG2 3.45Å; I417-V421 PolarHBondContact O-N 3.13Å; W418-V421 PolarHBondContact O-N 3.47Å; F419-V421 PolarHBondContact O-N 3.14Å; V421-L423 VanDerWaalsContact C-N 3.27Å; V421-L423 PolarHBondContact O-N 2.81Å; V421-V424 WeakPolarHBondContact O-CG2 3.47Å; V421-V424 PolarHBondContact O-N 3.36Å
422	S	94.3	Very high	95.7	Very high	7 Å²	7	5.6 Å²	5.6	5%	0.049	3%	0.029	C	C	.	.	H	α-helix	trans	-68.1	-19.1	174.4	82	0	0	0	0	114.7	W418 F419 Q420	W418-S422 WeakPolarHBondContact O-CB 3.26Å; W418-S422 PolarHBondContact O-N 2.92Å; F419-S422 WeakPolarHBondContact O-CB 3.33Å; F419-S422 PolarHBondContact O-N 2.94Å; F419-S422 VanDerWaalsContact O-N 3.17Å; F419-S422 PolarHBondContact O-OG 3.36Å; Q420-S422 PolarHBondContact O-N 3.16Å
423	L	95.3	Very high	95.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-87.2	-17.5	176.4	-63.4	178.7	0	0	0	113.5	L92 L135 S384 F419 Q420 V421 T426 I427	L92-L423 HydrophobicContact CD1-CD1 4.26Å; L92-L423 HydrophobicContact CD2-CD1 4.24Å; L135-L423 HydrophobicContact CD1-CD1 3.78Å; L135-L423 HydrophobicContact CD1-CD2 4.28Å; L135-L423 HydrophobicContact CD2-CD2 4.36Å; S384-L423 WeakPolarHBondContact OG-CD2 3.38Å; F419-L423 HydrophobicContact CD1-CD1 4.31Å; F419-L423 HydrophobicContact CE1-CD1 3.68Å; F419-L423 HydrophobicContact CE1-CG 4.43Å; F419-L423 HydrophobicContact CE2-CD1 4.39Å; F419-L423 HydrophobicContact CE2-CD2 4.2Å; F419-L423 HydrophobicContact CE2-CG 4.37Å; F419-L423 HydrophobicContact CZ-CD1 3.72Å; F419-L423 HydrophobicContact CZ-CD2 4.18Å; F419-L423 HydrophobicContact CZ-CG 4.18Å; F419-L423 WeakPolarHBondContact O-CG 3.42Å; F419-L423 PolarHBondContact O-N 2.85Å; Q420-L423 WeakPolarHBondContact O-CB 3.47Å; Q420-L423 PolarHBondContact O-N 3.26Å; V421-L423 VanDerWaalsContact C-N 3.27Å; V421-L423 PolarHBondContact O-N 2.81Å; L423-T426 WeakPolarHBondContact O-CB 3.18Å; L423-T426 PolarHBondContact O-N 2.99Å; L423-T426 VanDerWaalsContact O-N 3.14Å; L423-I427 HydrophobicContact CB-CD1 3.88Å; L423-I427 HydrophobicContact CB-CG1 4.42Å; L423-I427 WeakPolarHBondContact O-CG1 3.23Å; L423-I427 PolarHBondContact O-N 3.44Å
424	V	96.2	Very high	95.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-53.9	-44.5	-174.5	-178.4	0	0	0	0	112.8	W90 V116 I173 Q420 V421 T426 I427 L428	W90-V424 HydrophobicContact CH2-CG2 3.98Å; W90-V424 HydrophobicContact CZ2-CG2 4.11Å; V116-V424 HydrophobicContact CG1-CG2 4Å; I173-V424 HydrophobicContact CD1-CB 3.98Å; I173-V424 HydrophobicContact CD1-CG1 3.84Å; I173-V424 HydrophobicContact CD1-CG2 4.12Å; I173-V424 HydrophobicContact CG1-CB 4.4Å; I173-V424 HydrophobicContact CG2-CB 4.4Å; Q420-V424 PolarHBondContact O-N 2.69Å; V421-V424 WeakPolarHBondContact O-CG2 3.47Å; V421-V424 PolarHBondContact O-N 3.36Å; V424-T426 PolarHBondContact O-N 2.95Å; V424-I427 PolarHBondContact O-N 3.18Å; V424-L428 HydrophobicContact CG1-CD1 3.64Å; V424-L428 HydrophobicContact CG1-CG 4.05Å; V424-L428 WeakPolarHBondContact O-CB 3.48Å; V424-L428 WeakPolarHBondContact O-CG 3.46Å; V424-L428 PolarHBondContact O-N 2.86Å
425	P	95.6	Very high	95.7	Very high	6 Å²	6	6.4 Å²	6.4	4%	0.039	3%	0.031	C	C	.	.	H	α-helix	trans	-60.6	-45.8	177.6	-25.8	37	0	0	0	113.5	I173 Y429 F610 P612 F616	I173-P425 HydrophobicContact CG2-CG 3.57Å; P425-Y429 VanDerWaalsContact O-CB 3.24Å; P425-Y429 WeakPolarHBondContact O-CB 3.27Å; P425-Y429 PolarHBondContact O-N 3.01Å; P425-F610 HydrophobicContact CB-CE1 4.26Å; P425-F610 HydrophobicContact CB-CZ 4.48Å; P425-P612 HydrophobicContact CB-CB 3.71Å; P425-P612 HydrophobicContact CB-CG 4.02Å; P425-P612 HydrophobicContact CG-CB 4.17Å; P425-F616 HydrophobicContact CB-CB 4.26Å; P425-F616 HydrophobicContact CB-CD1 4.2Å; P425-F616 HydrophobicContact CB-CD2 3.64Å; P425-F616 HydrophobicContact CB-CE2 3.98Å; P425-F616 HydrophobicContact CB-CG 3.75Å; P425-F616 HydrophobicContact CB-CZ 4.39Å; P425-F616 HydrophobicContact CG-CD1 3.98Å; P425-F616 HydrophobicContact CG-CD2 4.25Å; P425-F616 HydrophobicContact CG-CE1 4.08Å; P425-F616 HydrophobicContact CG-CE2 4.34Å; P425-F616 HydrophobicContact CG-CG 4.06Å; P425-F616 HydrophobicContact CG-CZ 4.25Å
426	T	94.7	Very high	95.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.5	-45.2	178.3	-60.7	0	0	0	0	111.3	L135 S384 T385 L423 V424 Q430	L135-T426 HydrophobicContact CD2-CG2 3.66Å; S384-T426 PolarHBondContact OG-OG1 3.4Å; T385-T426 HydrophobicContact CG2-CG2 3.73Å; L423-T426 WeakPolarHBondContact O-CB 3.18Å; L423-T426 PolarHBondContact O-N 2.99Å; L423-T426 VanDerWaalsContact O-N 3.14Å; V424-T426 PolarHBondContact O-N 2.95Å; T426-Q430 WeakPolarHBondContact O-CG 3.47Å; T426-Q430 PolarHBondContact O-N 2.88Å
427	I	96.1	Very high	95.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-68.9	-45.7	-178.4	-68.8	174	0	0	0	110.6	W90 I133 L135 V146 L423 V424 Y429 Q430 M431	W90-I427 HydrophobicContact CD2-CD1 3.58Å; W90-I427 HydrophobicContact CD2-CG2 4.09Å; W90-I427 HydrophobicContact CE3-CD1 4.28Å; W90-I427 HydrophobicContact CE3-CG2 3.75Å; W90-I427 HydrophobicContact CG-CD1 3.74Å; W90-I427 HydrophobicContact CZ2-CD1 3.9Å; W90-I427 HydrophobicContact CZ3-CG2 4.04Å; I133-I427 HydrophobicContact CD1-CG2 4.06Å; I133-I427 WeakPolarHBondContact CD1-O 3.29Å; L135-I427 HydrophobicContact CD2-CG1 4.14Å; V146-I427 HydrophobicContact CG2-CG2 4.12Å; L423-I427 HydrophobicContact CB-CD1 3.88Å; L423-I427 HydrophobicContact CB-CG1 4.42Å; L423-I427 WeakPolarHBondContact O-CG1 3.23Å; L423-I427 PolarHBondContact O-N 3.44Å; V424-I427 PolarHBondContact O-N 3.18Å; I427-Y429 PolarHBondContact O-N 3.11Å; I427-Q430 PolarHBondContact O-N 3.33Å; I427-M431 WeakPolarHBondContact O-CB 3.46Å; I427-M431 PolarHBondContact O-N 3.25Å
428	L	96.6	Very high	95.4	Very high	2 Å²	2	6.5 Å²	6.5	1%	0.01	3%	0.034	C	C	.	.	H	α-helix	trans	-64.9	-38.9	177.3	-70.1	179	0	0	0	112.4	L118 I228 V424 M431 S432 F616 P619	L118-L428 HydrophobicContact CD1-CD2 3.55Å; L118-L428 HydrophobicContact CD2-CD2 4.22Å; I228-L428 HydrophobicContact CD1-CB 3.88Å; I228-L428 HydrophobicContact CD1-CD1 4.28Å; I228-L428 HydrophobicContact CD1-CD2 4.08Å; I228-L428 HydrophobicContact CD1-CG 4.31Å; V424-L428 HydrophobicContact CG1-CD1 3.64Å; V424-L428 HydrophobicContact CG1-CG 4.05Å; V424-L428 WeakPolarHBondContact O-CB 3.48Å; V424-L428 WeakPolarHBondContact O-CG 3.46Å; V424-L428 PolarHBondContact O-N 2.86Å; L428-M431 HydrophobicContact CD2-CE 3.71Å; L428-S432 VanDerWaalsContact O-CB 3.3Å; L428-S432 WeakPolarHBondContact O-CB 3.17Å; L428-S432 PolarHBondContact O-N 2.82Å; L428-S432 PolarHBondContact O-OG 3.01Å; L428-F616 HydrophobicContact CB-CE2 4.32Å; L428-F616 HydrophobicContact CD1-CE2 3.91Å; L428-F616 HydrophobicContact CD1-CZ 3.94Å; L428-P619 HydrophobicContact CD1-CG 3.6Å
429	Y	95.5	Very high	95.2	Very high	47 Å²	47	7.3 Å²	7.3	18%	0.184	4%	0.037	C	C	.	.	H	α-helix	trans	-61.7	-53.6	174.6	169.8	-105.8	0	0	0	112	T385 P425 I427 S432 R433 T606 F610	T385-Y429 HydrophobicContact CG2-CD1 3.69Å; T385-Y429 HydrophobicContact CG2-CE1 4.09Å; P425-Y429 VanDerWaalsContact O-CB 3.24Å; P425-Y429 WeakPolarHBondContact O-CB 3.27Å; P425-Y429 PolarHBondContact O-N 3.01Å; I427-Y429 PolarHBondContact O-N 3.11Å; Y429-S432 WeakPolarHBondContact O-CB 3.12Å; Y429-S432 PolarHBondContact O-N 3.04Å; Y429-R433 HydrophobicContact CE2-CG 4.43Å; Y429-R433 VanDerWaalsContact CZ-CD 3.43Å; Y429-R433 PolarHBondContact O-N 2.98Å; Y429-R433 WeakPolarHBondContact OH-CD 3.38Å; Y429-T606 VanDerWaalsContact OH-CG2 3.23Å; Y429-T606 WeakPolarHBondContact OH-CG2 3.4Å; Y429-F610 HydrophobicContact CD1-CB 3.96Å; Y429-F610 AromaticContact CD1-CD1 3.92Å; Y429-F610 HydrophobicContact CD1-CD1 3.92Å; Y429-F610 HydrophobicContact CD1-CD2 4.44Å; Y429-F610 HydrophobicContact CD1-CE1 4.47Å; Y429-F610 AromaticContact CD1-CG 3.86Å; Y429-F610 HydrophobicContact CD1-CG 3.86Å; Y429-F610 HydrophobicContact CD2-CB 4.15Å; Y429-F610 HydrophobicContact CD2-CD1 4.28Å; Y429-F610 AromaticContact CD2-CD2 3.44Å; Y429-F610 HydrophobicContact CD2-CD2 3.44Å; Y429-F610 VanDerWaalsContact CD2-CD2 3.44Å; Y429-F610 AromaticContact CD2-CE2 3.79Å; Y429-F610 HydrophobicContact CD2-CE2 3.79Å; Y429-F610 AromaticContact CD2-CG 3.71Å; Y429-F610 HydrophobicContact CD2-CG 3.71Å; Y429-F610 HydrophobicContact CD2-CZ 4.31Å; Y429-F610 HydrophobicContact CE1-CB 3.64Å; Y429-F610 HydrophobicContact CE1-CD1 4.47Å; Y429-F610 HydrophobicContact CE1-CG 4.05Å; Y429-F610 HydrophobicContact CE2-CB 3.83Å; Y429-F610 AromaticContact CE2-CD2 3.72Å; Y429-F610 HydrophobicContact CE2-CD2 3.72Å; Y429-F610 HydrophobicContact CE2-CE2 4.48Å; Y429-F610 AromaticContact CE2-CG 3.89Å; Y429-F610 HydrophobicContact CE2-CG 3.89Å; Y429-F610 HydrophobicContact CG-CB 4.21Å; Y429-F610 AromaticContact CG-CD1 3.81Å; Y429-F610 HydrophobicContact CG-CD1 3.81Å; Y429-F610 AromaticContact CG-CD2 3.84Å; Y429-F610 HydrophobicContact CG-CD2 3.84Å; Y429-F610 HydrophobicContact CG-CE1 4.01Å; Y429-F610 HydrophobicContact CG-CE2 4.09Å; Y429-F610 AromaticContact CG-CG 3.68Å; Y429-F610 HydrophobicContact CG-CG 3.68Å; Y429-F610 HydrophobicContact CG-CZ 4.16Å
430	Q	95.5	Very high	95.1	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-70.3	-33.8	-178.4	-65.6	-68.6	23.3	0	0	112.7	I133 T426 I427 S432 R433 A434	I133-Q430 HydrophobicContact CB-CB 4.3Å; I133-Q430 HydrophobicContact CD1-CB 4.02Å; I133-Q430 HydrophobicContact CG1-CB 3.89Å; I133-Q430 HydrophobicContact CG2-CB 3.56Å; I133-Q430 HydrophobicContact CG2-CG 3.88Å; T426-Q430 WeakPolarHBondContact O-CG 3.47Å; T426-Q430 PolarHBondContact O-N 2.88Å; I427-Q430 PolarHBondContact O-N 3.33Å; Q430-S432 VanDerWaalsContact C-N 3.32Å; Q430-R433 PolarHBondContact O-N 3Å; Q430-A434 WeakPolarHBondContact O-CB 3.4Å; Q430-A434 PolarHBondContact O-N 3.14Å
431	M	96.3	Very high	94.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-61.9	-40.8	170.4	-176.1	-178.3	74.5	0	0	111.2	L71 L118 F120 I124 I133 V146 I427 L428 A434 L435	L71-M431 HydrophobicContact CD1-CE 3.85Å; L71-M431 HydrophobicContact CD2-CE 4.04Å; L118-M431 HydrophobicContact CD1-CE 4.4Å; F120-M431 HydrophobicContact CZ-CE 4.38Å; I124-M431 HydrophobicContact CD1-SD 3.89Å; I133-M431 HydrophobicContact CD1-CB 4.03Å; V146-M431 HydrophobicContact CG1-SD 3.96Å; I427-M431 WeakPolarHBondContact O-CB 3.46Å; I427-M431 PolarHBondContact O-N 3.25Å; L428-M431 HydrophobicContact CD2-CE 3.71Å; M431-A434 PolarHBondContact O-N 3.43Å; M431-L435 HydrophobicContact CG-CD1 3.92Å; M431-L435 WeakPolarHBondContact O-CB 3.34Å; M431-L435 WeakPolarHBondContact O-CG 3.28Å; M431-L435 PolarHBondContact O-N 2.98Å
432	S	96.1	Very high	94.5	Very high	20 Å²	20	11 Å²	11	14%	0.14	6%	0.057	C	C	.	.	H	α-helix	trans	-64.5	-46.8	177.9	-60.3	0	0	0	0	111.3	L428 Y429 Q430 A434 L435 L436	L428-S432 VanDerWaalsContact O-CB 3.3Å; L428-S432 WeakPolarHBondContact O-CB 3.17Å; L428-S432 PolarHBondContact O-N 2.82Å; L428-S432 PolarHBondContact O-OG 3.01Å; Y429-S432 WeakPolarHBondContact O-CB 3.12Å; Y429-S432 PolarHBondContact O-N 3.04Å; Q430-S432 VanDerWaalsContact C-N 3.32Å; S432-A434 PolarHBondContact O-N 3.47Å; S432-L435 PolarHBondContact O-N 2.85Å; S432-L436 WeakPolarHBondContact O-CB 3.4Å; S432-L436 VanDerWaalsContact O-CG 3.29Å; S432-L436 WeakPolarHBondContact O-CG 3.44Å; S432-L436 PolarHBondContact O-N 3.5Å
433	R	95.3	Very high	94.2	Very high	19 Å²	19	11.6 Å²	11.6	7%	0.072	6%	0.059	C	C	.	.	H	α-helix	trans	-58.9	-43.6	174.2	-74.6	-180	65.9	-134.8	13	112.8	Y429 Q430 L435 L436 A437 T537 D543 T606	Y429-R433 HydrophobicContact CE2-CG 4.43Å; Y429-R433 VanDerWaalsContact CZ-CD 3.43Å; Y429-R433 PolarHBondContact O-N 2.98Å; Y429-R433 WeakPolarHBondContact OH-CD 3.38Å; Q430-R433 PolarHBondContact O-N 3Å; R433-L435 PolarHBondContact O-N 2.81Å; R433-L436 PolarHBondContact O-N 2.89Å; R433-A437 PolarHBondContact O-N 3.25Å; R433-T537 PolarHBondContact NH2-OG1 2.95Å; R433-D543 IonicContact CZ-OD2 2.89Å; R433-D543 IonicContact NH1-OD2 3.62Å; R433-D543 PolarHBondContact NH1-OD2 2.91Å; R433-D543 IonicContact NH2-OD2 2.75Å; R433-D543 PolarHBondContact NH2-OD2 3.34Å; R433-T606 PolarHBondContact NE-OG1 2.79Å
434	A	96	Very high	93.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60	-43.7	176.7	0	0	0	0	0	112.6	C131 Q430 M431 S432 S438 I474 V476	C131-A434 HydrophobicContact CB-CB 3.94Å; Q430-A434 WeakPolarHBondContact O-CB 3.4Å; Q430-A434 PolarHBondContact O-N 3.14Å; M431-A434 PolarHBondContact O-N 3.43Å; S432-A434 PolarHBondContact O-N 3.47Å; A434-S438 PolarHBondContact O-N 3.29Å; A434-I474 HydrophobicContact CB-CB 3.92Å; A434-I474 HydrophobicContact CB-CD1 4.48Å; A434-I474 HydrophobicContact CB-CG1 4.47Å; A434-I474 HydrophobicContact CB-CG2 3.72Å; A434-I474 WeakPolarHBondContact O-CG1 3.41Å; A434-V476 HydrophobicContact CB-CG2 3.95Å
435	L	95.8	Very high	93.4	Very high	6 Å²	6	13.5 Å²	13.5	3%	0.031	7%	0.069	C	C	.	.	H	α-helix	trans	-74.1	-33	178.6	-68.6	169.7	0	0	0	112.5	V68 L71 I124 V130 M431 S432 R433 S438 Q439	V68-L435 HydrophobicContact CG1-CB 3.58Å; V68-L435 HydrophobicContact CG1-CD1 4.38Å; L71-L435 HydrophobicContact CD1-CD1 4.03Å; L71-L435 HydrophobicContact CD2-CD1 3.8Å; L71-L435 HydrophobicContact CG-CD1 4.01Å; I124-L435 HydrophobicContact CD1-CD1 4.42Å; V130-L435 HydrophobicContact CG1-CD2 3.97Å; M431-L435 HydrophobicContact CG-CD1 3.92Å; M431-L435 WeakPolarHBondContact O-CB 3.34Å; M431-L435 WeakPolarHBondContact O-CG 3.28Å; M431-L435 PolarHBondContact O-N 2.98Å; S432-L435 PolarHBondContact O-N 2.85Å; R433-L435 PolarHBondContact O-N 2.81Å; L435-S438 CarbonylContact O-C 3.49Å; L435-S438 PolarHBondContact O-N 2.76Å; L435-Q439 PolarHBondContact O-N 3.23Å
436	L	94.9	Very high	92.8	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.068	9%	0.091	C	C	.	.	H	α-helix	trans	-61.2	-45.1	171.6	-78.6	170.7	0	0	0	112	P66 V68 S432 R433 S438 Q439 L440 Y604	P66-L436 HydrophobicContact CB-CD1 3.97Å; P66-L436 HydrophobicContact CB-CD2 4.11Å; P66-L436 HydrophobicContact CG-CD1 3.63Å; V68-L436 HydrophobicContact CG2-CD1 4.34Å; V68-L436 HydrophobicContact CG2-CD2 4.13Å; V68-L436 HydrophobicContact CG2-CG 3.85Å; S432-L436 WeakPolarHBondContact O-CB 3.4Å; S432-L436 VanDerWaalsContact O-CG 3.29Å; S432-L436 WeakPolarHBondContact O-CG 3.44Å; S432-L436 PolarHBondContact O-N 3.5Å; R433-L436 PolarHBondContact O-N 2.89Å; L436-S438 PolarHBondContact O-N 2.96Å; L436-Q439 WeakPolarHBondContact O-CB 3.22Å; L436-Q439 PolarHBondContact O-N 3.21Å; L436-L440 PolarHBondContact O-N 3.37Å; L436-Y604 HydrophobicContact CB-CD1 4.05Å; L436-Y604 HydrophobicContact CB-CE1 4.43Å; L436-Y604 HydrophobicContact CD2-CD1 4.04Å; L436-Y604 HydrophobicContact CD2-CE1 3.9Å
437	A	94.9	Very high	92.2	Very high	5 Å²	5	20.3 Å²	20.3	4%	0.041	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-35.6	173.7	0	0	0	0	0	112.2	R433 F441 L532 I533	R433-A437 PolarHBondContact O-N 3.25Å; A437-F441 WeakPolarHBondContact O-CB 3.45Å; A437-F441 PolarHBondContact O-N 2.87Å; A437-F441 VanDerWaalsContact O-N 3.09Å; A437-L532 HydrophobicContact CB-CB 4.39Å; A437-I533 HydrophobicContact CB-CG1 3.82Å
438	S	92.5	Very high	91.7	Very high	4 Å²	4	21 Å²	21	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-75.9	-27.5	174	-170.4	0	0	0	0	113.9	A434 L435 L436 T442 S470	A434-S438 PolarHBondContact O-N 3.29Å; L435-S438 CarbonylContact O-C 3.49Å; L435-S438 PolarHBondContact O-N 2.76Å; L436-S438 PolarHBondContact O-N 2.96Å; S438-T442 PolarHBondContact O-N 3.24Å; S438-T442 PolarHBondContact O-OG1 2.9Å; S438-S470 WeakPolarHBondContact OG-CB 3.42Å; S438-S470 PolarHBondContact OG-OG 3.04Å
439	Q	91.9	Very high	91	Very high	16 Å²	16	26.5 Å²	26.5	8%	0.075	12%	0.124	C	C	.	.	H	α-helix	trans	-69.2	-50.3	172.9	-171.8	179.6	-75.7	0	0	109.9	L435 L436 F441 T442 E443 Y604	L435-Q439 PolarHBondContact O-N 3.23Å; L436-Q439 WeakPolarHBondContact O-CB 3.22Å; L436-Q439 PolarHBondContact O-N 3.21Å; Q439-F441 VanDerWaalsContact C-N 3.33Å; Q439-F441 PolarHBondContact O-N 3.46Å; Q439-T442 WeakPolarHBondContact O-CA 3.21Å; Q439-T442 WeakPolarHBondContact O-CB 3.31Å; Q439-T442 PolarHBondContact O-N 3.26Å; Q439-E443 PolarHBondContact O-N 3.34Å; Q439-Y604 HydrophobicContact CB-CE1 4.3Å; Q439-Y604 PolarHBondContact NE2-OH 2.98Å
440	L	92.3	Very high	89.9	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-55.1	-45.1	174.7	176.4	58.1	0	0	0	111.9	L436 T442 E443 L444 L532 T536 Y604	L436-L440 PolarHBondContact O-N 3.37Å; L440-T442 VanDerWaalsContact C-N 3.28Å; L440-T442 PolarHBondContact O-N 2.87Å; L440-E443 PolarHBondContact O-N 3.04Å; L440-L444 HydrophobicContact CD1-CD1 3.63Å; L440-L444 HydrophobicContact CD1-CG 3.87Å; L440-L444 HydrophobicContact CD2-CD1 4.47Å; L440-L444 HydrophobicContact CG-CD1 3.71Å; L440-L444 HydrophobicContact CG-CG 4.39Å; L440-L444 WeakPolarHBondContact O-CB 2.91Å; L440-L444 WeakPolarHBondContact O-CG 3.25Å; L440-L444 PolarHBondContact O-N 3.09Å; L440-L532 HydrophobicContact CD2-CD1 4.5Å; L440-L532 HydrophobicContact CG-CD1 4.35Å; L440-T536 HydrophobicContact CD2-CG2 4.07Å; L440-Y604 HydrophobicContact CB-CD1 3.93Å; L440-Y604 HydrophobicContact CB-CD2 4.08Å; L440-Y604 HydrophobicContact CB-CE1 3.91Å; L440-Y604 HydrophobicContact CB-CE2 4.05Å; L440-Y604 HydrophobicContact CB-CG 4.03Å; L440-Y604 HydrophobicContact CD1-CD2 3.69Å; L440-Y604 HydrophobicContact CD1-CE2 3.72Å; L440-Y604 HydrophobicContact CD1-CG 4.38Å; L440-Y604 HydrophobicContact CD2-CD2 4.12Å; L440-Y604 HydrophobicContact CD2-CG 4.04Å; L440-Y604 HydrophobicContact CG-CD2 4.16Å; L440-Y604 HydrophobicContact CG-CE2 4.37Å; L440-Y604 HydrophobicContact CG-CG 4.36Å
441	F	92.1	Very high	88.3	Confident	36 Å²	36	31 Å²	31	16%	0.158	16%	0.161	C	C	.	.	H	α-helix	trans	-55.8	-42.3	172.5	170.2	-101.7	0	0	0	112.9	A437 Q439 N445 C526 P527 P529 L532	A437-F441 WeakPolarHBondContact O-CB 3.45Å; A437-F441 PolarHBondContact O-N 2.87Å; A437-F441 VanDerWaalsContact O-N 3.09Å; Q439-F441 VanDerWaalsContact C-N 3.33Å; Q439-F441 PolarHBondContact O-N 3.46Å; F441-N445 WeakPolarHBondContact O-CB 3.23Å; F441-N445 PolarHBondContact O-N 3.14Å; F441-C526 HydrophobicContact CD2-CB 4.18Å; F441-C526 HydrophobicContact CE2-CB 4.14Å; F441-P527 WeakPolarHBondContact CD2-O 3.46Å; F441-P529 HydrophobicContact CB-CG 3.73Å; F441-P529 HydrophobicContact CD1-CG 4.04Å; F441-P529 HydrophobicContact CD2-CG 4.34Å; F441-P529 HydrophobicContact CG-CG 3.77Å; F441-L532 HydrophobicContact CB-CD1 3.84Å
442	T	87.6	Confident	86.8	Confident	48 Å²	48	36.2 Å²	36.2	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-69.3	-39.8	-176.8	-56.2	0	0	0	0	111	S438 Q439 L440 Y446	S438-T442 PolarHBondContact O-N 3.24Å; S438-T442 PolarHBondContact O-OG1 2.9Å; Q439-T442 WeakPolarHBondContact O-CA 3.21Å; Q439-T442 WeakPolarHBondContact O-CB 3.31Å; Q439-T442 PolarHBondContact O-N 3.26Å; L440-T442 VanDerWaalsContact C-N 3.28Å; L440-T442 PolarHBondContact O-N 2.87Å; T442-Y446 PolarHBondContact O-N 2.69Å
443	E	86.2	Confident	85.1	Confident	19 Å²	19	37.7 Å²	37.7	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-54.2	174.8	-67.9	179.5	166.5	0	0	111.8	R69 Q439 L440 N445 Y446 E447 Y604	R69-E443 IonicContact CZ-OE1 2.95Å; R69-E443 IonicContact NH1-OE1 3.93Å; R69-E443 PolarHBondContact NH1-OE1 3.02Å; R69-E443 IonicContact NH2-OE1 3.74Å; R69-E443 PolarHBondContact NH2-OE1 2.99Å; Q439-E443 PolarHBondContact O-N 3.34Å; L440-E443 PolarHBondContact O-N 3.04Å; E443-N445 VanDerWaalsContact C-N 3.29Å; E443-N445 PolarHBondContact O-N 3.4Å; E443-Y446 WeakPolarHBondContact O-CB 3.44Å; E443-Y446 PolarHBondContact O-N 3.26Å; E443-E447 WeakPolarHBondContact O-CG 3.15Å; E443-E447 PolarHBondContact O-N 3.28Å; E443-Y604 PolarHBondContact OE1-OH 3.2Å; E443-Y604 PolarHBondContact OE2-OH 2.8Å
444	L	88.8	Confident	83.7	Confident	5 Å²	5	38 Å²	38	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-55.6	-43.6	177.7	-75.7	167.9	0	0	0	112.1	L440 Y446 L448 W601 F654 L666	L440-L444 HydrophobicContact CD1-CD1 3.63Å; L440-L444 HydrophobicContact CD1-CG 3.87Å; L440-L444 HydrophobicContact CD2-CD1 4.47Å; L440-L444 HydrophobicContact CG-CD1 3.71Å; L440-L444 HydrophobicContact CG-CG 4.39Å; L440-L444 WeakPolarHBondContact O-CB 2.91Å; L440-L444 WeakPolarHBondContact O-CG 3.25Å; L440-L444 PolarHBondContact O-N 3.09Å; L444-Y446 VanDerWaalsContact C-N 3.25Å; L444-Y446 PolarHBondContact O-N 3.43Å; L444-L448 HydrophobicContact CB-CD1 4.4Å; L444-L448 HydrophobicContact CD2-CD1 4.44Å; L444-L448 WeakPolarHBondContact O-CB 3.2Å; L444-L448 WeakPolarHBondContact O-CG 3.36Å; L444-L448 PolarHBondContact O-N 3.27Å; L444-W601 HydrophobicContact CD2-CH2 4.07Å; L444-W601 HydrophobicContact CD2-CZ2 3.62Å; L444-F654 HydrophobicContact CD1-CE2 4.09Å; L444-F654 HydrophobicContact CD1-CZ 3.97Å; L444-F654 HydrophobicContact CD2-CZ 4.33Å; L444-L666 HydrophobicContact CD2-CD1 4.16Å
445	N	87.2	Confident	82	Confident	36 Å²	36	42 Å²	42	19%	0.193	22%	0.224	C	C	.	.	H	α-helix	trans	-72.1	-16.1	179.5	-171.9	34.4	0	0	0	113.5	F441 E443 K449 C526	F441-N445 WeakPolarHBondContact O-CB 3.23Å; F441-N445 PolarHBondContact O-N 3.14Å; E443-N445 VanDerWaalsContact C-N 3.29Å; E443-N445 PolarHBondContact O-N 3.4Å; N445-K449 PolarHBondContact ND2-NZ 2.93Å; N445-K449 WeakPolarHBondContact O-CD 3.42Å; N445-K449 WeakPolarHBondContact O-CG 3.43Å; N445-K449 WeakPolarHBondContact OD1-CE 3.44Å; N445-K449 PolarHBondContact OD1-NZ 3.44Å; N445-C526 HydrophobicContact CB-CB 4.41Å
446	Y	82.7	Confident	80.4	Confident	124 Å²	124	47.7 Å²	47.7	49%	0.486	25%	0.25	S	S	.	.	H	α-helix	trans	-83	-56.4	169.9	178.3	-99.1	0	0	0	110.4	T442 E443 L444 L448 K449 S450 L462	T442-Y446 PolarHBondContact O-N 2.69Å; E443-Y446 WeakPolarHBondContact O-CB 3.44Å; E443-Y446 PolarHBondContact O-N 3.26Å; L444-Y446 VanDerWaalsContact C-N 3.25Å; L444-Y446 PolarHBondContact O-N 3.43Å; Y446-L448 PolarHBondContact O-N 2.97Å; Y446-K449 PolarHBondContact O-N 3.48Å; Y446-S450 PolarHBondContact O-N 2.83Å; Y446-L462 HydrophobicContact CD1-CD1 4.24Å; Y446-L462 HydrophobicContact CG-CD1 4.33Å
447	E	81.6	Confident	78.6	Confident	24 Å²	24	49 Å²	49	11%	0.112	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-46	-176.5	-63.6	-62.6	154.2	0	0	111.9	E443 K449 S450 P451 Y669	E443-E447 WeakPolarHBondContact O-CG 3.15Å; E443-E447 PolarHBondContact O-N 3.28Å; E447-K449 PolarHBondContact O-N 3Å; E447-S450 CarbonylContact O-C 3.5Å; E447-S450 VanDerWaalsContact O-C 3.24Å; E447-S450 PolarHBondContact O-N 3.48Å; E447-P451 WeakPolarHBondContact O-CA 3.45Å; E447-Y669 HydrophobicContact CB-CE2 3.74Å; E447-Y669 HydrophobicContact CG-CE2 4.33Å; E447-Y669 WeakPolarHBondContact CG-OH 3.37Å
448	L	86.2	Confident	76.7	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.073	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.7	-178.8	-62.9	172	0	0	0	114.3	L444 Y446 I525 F654 L666 Y669	L444-L448 HydrophobicContact CB-CD1 4.4Å; L444-L448 HydrophobicContact CD2-CD1 4.44Å; L444-L448 WeakPolarHBondContact O-CB 3.2Å; L444-L448 WeakPolarHBondContact O-CG 3.36Å; L444-L448 PolarHBondContact O-N 3.27Å; Y446-L448 PolarHBondContact O-N 2.97Å; L448-I525 HydrophobicContact CB-CG2 3.89Å; L448-F654 HydrophobicContact CD1-CE1 3.55Å; L448-F654 HydrophobicContact CD1-CZ 3.96Å; L448-L666 HydrophobicContact CD1-CD1 4.44Å; L448-L666 HydrophobicContact CD2-CD1 4.3Å; L448-Y669 HydrophobicContact CD2-CG 4.18Å
449	K	81.6	Confident	74.8	Confident	118 Å²	118	59.3 Å²	59.3	51%	0.513	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-24.4	172.7	-80	179.8	-174.6	152.3	0	113.6	N445 Y446 E447 I525	N445-K449 PolarHBondContact ND2-NZ 2.93Å; N445-K449 WeakPolarHBondContact O-CD 3.42Å; N445-K449 WeakPolarHBondContact O-CG 3.43Å; N445-K449 WeakPolarHBondContact OD1-CE 3.44Å; N445-K449 PolarHBondContact OD1-NZ 3.44Å; Y446-K449 PolarHBondContact O-N 3.48Å; E447-K449 PolarHBondContact O-N 3Å; K449-I525 HydrophobicContact CD-CD1 4.39Å; K449-I525 HydrophobicContact CG-CD1 3.94Å
450	S	73	Confident	72.9	Confident	76 Å²	76	62.3 Å²	62.3	53%	0.531	31%	0.313	S	S	.	.	S	Bend	trans	-134.8	60.2	179.8	-66.4	0	0	0	0	109.5	Y446 E447 Q452	Y446-S450 PolarHBondContact O-N 2.83Å; E447-S450 CarbonylContact O-C 3.5Å; E447-S450 VanDerWaalsContact O-C 3.24Å; E447-S450 PolarHBondContact O-N 3.48Å; S450-Q452 PolarHBondContact O-N 2.76Å
451	P	62.1	Low	71	Confident	67 Å²	67	65.3 Å²	65.3	44%	0.435	33%	0.334	S	S	.	.			trans	-61.7	107.3	-168.6	25.3	-35	0	0	0	110.9	E447	E447-P451 WeakPolarHBondContact O-CA 3.45Å
452	Q	64	Low	69.3	Low	109 Å²	109	66.6 Å²	66.6	51%	0.509	34%	0.342	S	S	.	.			trans	-89.8	155.1	158.3	-61.4	-59.3	-33.2	0	0	108.3	S450 F454	S450-Q452 PolarHBondContact O-N 2.76Å; Q452-F454 PolarHBondContact O-N 3.25Å
453	P	60.6	Low	68.2	Low	51 Å²	51	70.7 Å²	70.7	33%	0.331	37%	0.367	S	S	.	.			trans	-57.7	139.3	174.4	-20.9	32.5	0	0	0	110.4	S455 Q456 Q671	P453-S455 PolarHBondContact O-N 2.99Å; P453-Q456 PolarHBondContact O-N 3.45Å; P453-Q671 HydrophobicContact CB-CG 4.45Å
454	F	66.1	Low	67.3	Low	27 Å²	27	71.9 Å²	71.9	12%	0.118	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-59.1	-24.2	-174	84.9	-99.9	0	0	0	113.8	Q452 Q456 I457 I595 Y669 F670 Q671	Q452-F454 PolarHBondContact O-N 3.25Å; F454-Q456 PolarHBondContact O-N 3.39Å; F454-I457 HydrophobicContact CB-CD1 3.4Å; F454-I457 VanDerWaalsContact CB-CD1 3.4Å; F454-I457 HydrophobicContact CB-CG1 4.29Å; F454-I457 WeakPolarHBondContact O-CB 3.4Å; F454-I457 VanDerWaalsContact O-CD1 3.25Å; F454-I457 WeakPolarHBondContact O-CD1 3.47Å; F454-I457 VanDerWaalsContact O-CG1 3.23Å; F454-I457 WeakPolarHBondContact O-CG1 3.5Å; F454-I457 PolarHBondContact O-N 3.04Å; F454-I595 HydrophobicContact CE1-CG1 4.33Å; F454-I595 HydrophobicContact CE2-CG1 4.36Å; F454-I595 HydrophobicContact CZ-CG1 3.97Å; F454-Y669 WeakPolarHBondContact CB-O 3.2Å; F454-Y669 WeakPolarHBondContact CD1-O 3.2Å; F454-F670 VanDerWaalsContact CD1-C 3.43Å; F454-F670 WeakPolarHBondContact CD1-O 3.34Å; F454-F670 WeakPolarHBondContact CE1-O 3.44Å; F454-Q671 HydrophobicContact CD1-CB 4.04Å; F454-Q671 HydrophobicContact CD1-CG 3.73Å; F454-Q671 HydrophobicContact CE1-CB 3.93Å; F454-Q671 HydrophobicContact CE1-CG 4.03Å; F454-Q671 VanDerWaalsContact CE1-NE2 3.33Å
455	S	60.9	Low	66.6	Low	83 Å²	83	74.2 Å²	74.2	58%	0.58	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-65.3	-1.9	173.7	52.7	0	0	0	0	115.1	P453 Q671	P453-S455 PolarHBondContact O-N 2.99Å; S455-Q671 PolarHBondContact OG-NE2 2.92Å
456	Q	60.7	Low	65.8	Low	126 Å²	126	76.3 Å²	76.3	59%	0.589	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-120.7	11.5	178	-58.1	-172.1	2.1	0	0	113.7	P453 F454	P453-Q456 PolarHBondContact O-N 3.45Å; F454-Q456 PolarHBondContact O-N 3.39Å
457	I	58	Low	65.2	Low	41 Å²	41	76.7 Å²	76.7	21%	0.21	41%	0.412	C	S	.	.			trans	-67.1	145.8	-167.6	-76.7	165.7	0	0	0	114.3	F454 I459 L599 Y669	F454-I457 HydrophobicContact CB-CD1 3.4Å; F454-I457 VanDerWaalsContact CB-CD1 3.4Å; F454-I457 HydrophobicContact CB-CG1 4.29Å; F454-I457 WeakPolarHBondContact O-CB 3.4Å; F454-I457 VanDerWaalsContact O-CD1 3.25Å; F454-I457 WeakPolarHBondContact O-CD1 3.47Å; F454-I457 VanDerWaalsContact O-CG1 3.23Å; F454-I457 WeakPolarHBondContact O-CG1 3.5Å; F454-I457 PolarHBondContact O-N 3.04Å; I457-I459 HydrophobicContact CG2-CB 3.92Å; I457-I459 HydrophobicContact CG2-CD1 3.42Å; I457-I459 VanDerWaalsContact CG2-CD1 3.42Å; I457-I459 HydrophobicContact CG2-CG1 3.35Å; I457-L599 HydrophobicContact CD1-CD2 3.29Å; I457-Y669 HydrophobicContact CD1-CE1 4.3Å; I457-Y669 HydrophobicContact CD1-CE2 3.89Å; I457-Y669 WeakPolarHBondContact CD1-OH 3.2Å; I457-Y669 HydrophobicContact CG1-CE2 4.31Å
458	R	54.5	Low	64.9	Low	189 Å²	189	77.4 Å²	77.4	71%	0.713	42%	0.42	S	S	*	.			trans	-107.2	50.6	172.3	-54	-176.1	-178.2	-168.8	1	113.5	N460 S461	R458-N460 PolarHBondContact O-N 3.43Å; R458-N460 VanDerWaalsContact O-N 3.11Å; R458-S461 WeakPolarHBondContact CB-OG 3.49Å; R458-S461 PolarHBondContact O-N 3.18Å; R458-S461 PolarHBondContact O-OG 3.06Å
459	I	53.3	Low	64.8	Low	35 Å²	35	77.2 Å²	77.2	18%	0.179	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	122	173.5	-79.9	153.1	0	0	0	108.2	I457 L599 K600	I457-I459 HydrophobicContact CG2-CB 3.92Å; I457-I459 HydrophobicContact CG2-CD1 3.42Å; I457-I459 VanDerWaalsContact CG2-CD1 3.42Å; I457-I459 HydrophobicContact CG2-CG1 3.35Å; I459-L599 VanDerWaalsContact CD1-CA 3.43Å; I459-L599 HydrophobicContact CD1-CB 4.14Å; I459-L599 HydrophobicContact CD1-CD2 3.74Å; I459-L599 WeakPolarHBondContact CD1-O 3.47Å; I459-K600 HydrophobicContact CG2-CB 4.5Å; I459-K600 HydrophobicContact CG2-CD 4.08Å; I459-K600 HydrophobicContact CG2-CG 4.38Å
460	N	52.1	Low	64.8	Low	80 Å²	80	72.2 Å²	72.2	43%	0.428	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	4.8	-169.9	-53.3	-23.1	0	0	0	117.9	R69 R458 L462 K600	R69-N460 PolarHBondContact NH2-OD1 3.35Å; R458-N460 PolarHBondContact O-N 3.43Å; R458-N460 VanDerWaalsContact O-N 3.11Å; N460-L462 VanDerWaalsContact C-N 3.32Å; N460-K600 PolarHBondContact ND2-NZ 3.49Å
461	S	50.8	Low	65.5	Low	63 Å²	63	74.5 Å²	74.5	44%	0.441	40%	0.401	S	S	.	.			trans	-81	-8.1	168.9	73.8	0	0	0	0	114.8	R458 T463	R458-S461 WeakPolarHBondContact CB-OG 3.49Å; R458-S461 PolarHBondContact O-N 3.18Å; R458-S461 PolarHBondContact O-OG 3.06Å; S461-T463 PolarHBondContact O-N 3.35Å; S461-T463 VanDerWaalsContact O-N 3.07Å
462	L	57.4	Low	66.8	Low	63 Å²	63	72.4 Å²	72.4	33%	0.33	39%	0.387	S	S	.	.			trans	-78.3	85.9	173.2	-76.9	167	0	0	0	110.3	Y446 N460 I464	Y446-L462 HydrophobicContact CD1-CD1 4.24Å; Y446-L462 HydrophobicContact CG-CD1 4.33Å; N460-L462 VanDerWaalsContact C-N 3.32Å; L462-I464 PolarHBondContact O-N 3.06Å
463	T	63.6	Low	68.2	Low	134 Å²	134	67.5 Å²	67.5	82%	0.822	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-57.1	116.1	164.3	18.6	0	0	0	0	109.5	S461 S465	S461-T463 PolarHBondContact O-N 3.35Å; S461-T463 VanDerWaalsContact O-N 3.07Å; T463-S465 PolarHBondContact O-N 3.17Å
464	I	68.7	Low	69.9	Low	44 Å²	44	65 Å²	65	23%	0.226	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-69.5	119.1	-179.9	-74.6	-168.1	0	0	0	110.6	R69 Y75 L462 S468	R69-I464 HydrophobicContact CB-CD1 3.42Å; R69-I464 VanDerWaalsContact CB-CD1 3.42Å; R69-I464 HydrophobicContact CB-CG1 4.32Å; R69-I464 HydrophobicContact CG-CD1 4.35Å; Y75-I464 HydrophobicContact CD2-CB 4.36Å; Y75-I464 HydrophobicContact CD2-CG2 3.57Å; Y75-I464 HydrophobicContact CE2-CG2 3.85Å; Y75-I464 HydrophobicContact CG-CG2 3.98Å; L462-I464 PolarHBondContact O-N 3.06Å; I464-S468 VanDerWaalsContact CA-OG 3.31Å; I464-S468 WeakPolarHBondContact CA-OG 3.43Å; I464-S468 WeakPolarHBondContact CG2-OG 3.35Å
465	S	73	Confident	71.3	Confident	55 Å²	55	64.4 Å²	64.4	39%	0.385	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-102.6	169.7	164.1	72	0	0	0	0	110.1	T463 D467 S468	T463-S465 PolarHBondContact O-N 3.17Å; S465-D467 PolarHBondContact O-N 3.3Å; S465-D467 VanDerWaalsContact O-N 3.15Å; S465-D467 PolarHBondContact OG-N 2.82Å; S465-D467 VanDerWaalsContact OG-N 3.15Å; S465-S468 PolarHBondContact N-OG 3.04Å; S465-S468 PolarHBondContact O-N 3.34Å; S465-S468 PolarHBondContact O-OG 2.73Å; S465-S468 PolarHBondContact OG-N 3.24Å
466	N	69.9	Low	72.9	Confident	79 Å²	79	60.5 Å²	60.5	42%	0.422	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.8	168.3	-82.3	4.1	0	0	0	111.8	Y75 K126 S468 L469	Y75-N466 PolarHBondContact OH-OD1 3.05Å; K126-N466 WeakPolarHBondContact CE-O 3.24Å; N466-S468 VanDerWaalsContact C-N 3.3Å; N466-S468 PolarHBondContact O-N 3.25Å; N466-L469 WeakPolarHBondContact O-CB 3.31Å; N466-L469 PolarHBondContact O-N 2.92Å
467	D	71.2	Confident	74.4	Confident	133 Å²	133	55.3 Å²	55.3	71%	0.711	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-72.3	-21.3	-179.5	-63.9	-49.4	0	0	0	113.8	K126 S465	K126-D467 WeakPolarHBondContact CE-O 3.42Å; K126-D467 PolarHBondContact NZ-O 3.11Å; S465-D467 PolarHBondContact O-N 3.3Å; S465-D467 VanDerWaalsContact O-N 3.15Å; S465-D467 PolarHBondContact OG-N 2.82Å; S465-D467 VanDerWaalsContact OG-N 3.15Å
468	S	76.2	Confident	75.9	Confident	38 Å²	38	53.3 Å²	53.3	27%	0.266	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-86.1	-5.3	172.8	64.8	0	0	0	0	114.5	I464 S465 N466	I464-S468 VanDerWaalsContact CA-OG 3.31Å; I464-S468 WeakPolarHBondContact CA-OG 3.43Å; I464-S468 WeakPolarHBondContact CG2-OG 3.35Å; S465-S468 PolarHBondContact N-OG 3.04Å; S465-S468 PolarHBondContact O-N 3.34Å; S465-S468 PolarHBondContact O-OG 2.73Å; S465-S468 PolarHBondContact OG-N 3.24Å; N466-S468 VanDerWaalsContact C-N 3.3Å; N466-S468 PolarHBondContact O-N 3.25Å
469	L	83.6	Confident	77.4	Confident	11 Å²	11	44.3 Å²	44.3	6%	0.058	25%	0.252	C	S	.	.	S	Bend	trans	-66.4	149.9	176.4	-70.2	178	0	0	0	112.3	C70 Y75 P123 K126 N466	C70-L469 HydrophobicContact CB-CD2 3.71Å; Y75-L469 HydrophobicContact CE1-CD2 4.46Å; Y75-L469 WeakPolarHBondContact OH-CD1 3.18Å; P123-L469 HydrophobicContact CB-CD1 4.31Å; P123-L469 HydrophobicContact CG-CD1 3.99Å; P123-L469 WeakPolarHBondContact O-CD1 3.23Å; K126-L469 HydrophobicContact CD-CB 4.48Å; K126-L469 WeakPolarHBondContact CD-O 3.38Å; K126-L469 VanDerWaalsContact CE-O 3.26Å; K126-L469 WeakPolarHBondContact CE-O 3.47Å; K126-L469 HydrophobicContact CG-CB 3.71Å; N466-L469 WeakPolarHBondContact O-CB 3.31Å; N466-L469 PolarHBondContact O-N 2.92Å
470	S	81.2	Confident	79	Confident	13 Å²	13	44.3 Å²	44.3	9%	0.091	25%	0.252	C	S	.	.			trans	-55.3	136.3	178.5	-166.9	0	0	0	0	113.4	S125 K126 S438 T472	S125-S470 PolarHBondContact OG-O 3.41Å; K126-S470 WeakPolarHBondContact CB-O 3.44Å; K126-S470 PolarHBondContact N-O 3.49Å; S438-S470 WeakPolarHBondContact OG-CB 3.42Å; S438-S470 PolarHBondContact OG-OG 3.04Å; S470-T472 PolarHBondContact OG-N 3.15Å; S470-T472 VanDerWaalsContact OG-N 3.16Å; S470-T472 PolarHBondContact OG-O 3.21Å; S470-T472 PolarHBondContact OG-OG1 3.15Å
471	H	86.8	Confident	80.5	Confident	124 Å²	124	43.1 Å²	43.1	57%	0.574	25%	0.25	S	C	*	.			trans	-95.3	-4.4	167.4	-77.2	-87.2	0	0	0	113	K126 K127	K126-H471 WeakPolarHBondContact CD-CE1 3.46Å; K126-H471 VanDerWaalsContact CD-NE2 3.32Å; K126-H471 WeakPolarHBondContact CD-NE2 3.22Å; K126-H471 PolarHBondContact NZ-NE2 3.09Å; K127-H471 WeakPolarHBondContact CD-O 3.31Å; K127-H471 WeakPolarHBondContact CE-O 3.33Å
472	T	89.3	Confident	81.8	Confident	22 Å²	22	41.3 Å²	41.3	14%	0.135	24%	0.236	C	C	.	.	S	Bend	trans	-105.5	143.8	-172.6	55.2	0	0	0	0	111.5	S470 H528	S470-T472 PolarHBondContact OG-N 3.15Å; S470-T472 VanDerWaalsContact OG-N 3.16Å; S470-T472 PolarHBondContact OG-O 3.21Å; S470-T472 PolarHBondContact OG-OG1 3.15Å; T472-H528 WeakPolarHBondContact CG2-NE2 3.44Å
473	T	94.4	Very high	81.5	Confident	6 Å²	6	43 Å²	43	4%	0.037	25%	0.251	C	S	.	.			trans	-87.6	125.5	166.8	-61.5	0	0	0	0	108.5	K127 Y129 V130 A515	K127-T473 WeakPolarHBondContact CD-OG1 3.48Å; Y129-T473 HydrophobicContact CD1-CG2 3.59Å; Y129-T473 HydrophobicContact CD2-CG2 4.12Å; Y129-T473 HydrophobicContact CE1-CG2 3.74Å; Y129-T473 HydrophobicContact CE2-CG2 4.21Å; Y129-T473 HydrophobicContact CG-CG2 3.8Å; Y129-T473 PolarHBondContact O-OG1 3.42Å; V130-T473 WeakPolarHBondContact O-CA 3.23Å; T473-A515 HydrophobicContact CG2-CB 3.85Å
474	I	95.5	Very high	81.1	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.8	-177.9	-55.8	100.8	0	0	0	110.7	V130 C131 R132 A434 P529 N530 I533	V130-I474 PolarHBondContact O-N 3.24Å; C131-I474 CarbonylContact C-O 3.56Å; C131-I474 WeakPolarHBondContact CA-O 3.3Å; C131-I474 HydrophobicContact CB-CB 4.14Å; C131-I474 VanDerWaalsContact CB-O 3.23Å; C131-I474 WeakPolarHBondContact CB-O 3.37Å; R132-I474 PolarHBondContact N-O 3.06Å; A434-I474 HydrophobicContact CB-CB 3.92Å; A434-I474 HydrophobicContact CB-CD1 4.48Å; A434-I474 HydrophobicContact CB-CG1 4.47Å; A434-I474 HydrophobicContact CB-CG2 3.72Å; A434-I474 WeakPolarHBondContact O-CG1 3.41Å; I474-P529 HydrophobicContact CG1-CB 4.23Å; I474-N530 VanDerWaalsContact CA-OD1 3.31Å; I474-N530 WeakPolarHBondContact CA-OD1 3.45Å; I474-I533 HydrophobicContact CG2-CD1 3.8Å
475	L	95.4	Very high	80.3	Confident	14 Å²	14	38.8 Å²	38.8	7%	0.073	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	100.6	173.2	-57.8	-178.4	0	0	0	108.5	R132 A515 H516 N530	R132-L475 HydrophobicContact CB-CD2 3.62Å; L475-A515 HydrophobicContact CD1-CB 4.14Å; L475-A515 HydrophobicContact CD2-CB 4.02Å; L475-A515 HydrophobicContact CG-CB 4.14Å; L475-H516 HydrophobicContact CD1-CB 3.96Å; L475-N530 PolarHBondContact N-OD1 2.98Å
476	V	95	Very high	79.1	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	21%	0.212	C	C	.	.			trans	-63.6	132.3	177.1	-178.9	0	0	0	0	108.6	R132 P134 A434 I533	R132-V476 PolarHBondContact NH2-O 3.33Å; R132-V476 VanDerWaalsContact O-CB 3.26Å; R132-V476 WeakPolarHBondContact O-CB 3.45Å; R132-V476 VanDerWaalsContact O-CG2 3.31Å; R132-V476 WeakPolarHBondContact O-CG2 3.21Å; R132-V476 PolarHBondContact O-N 2.67Å; P134-V476 HydrophobicContact CG-CG1 4.28Å; A434-V476 HydrophobicContact CB-CG2 3.95Å; V476-I533 HydrophobicContact CG2-CD1 4.45Å
477	P	92.4	Very high	78.1	Confident	16 Å²	16	37.9 Å²	37.9	10%	0.104	21%	0.214	C	C	.	.			trans	-57.1	147.1	178.3	-25.8	34.9	0	0	0	112.5	V482 I533 V545	P477-V482 HydrophobicContact CB-CG2 3.66Å; P477-I533 HydrophobicContact CG-CB 4.38Å; P477-I533 HydrophobicContact CG-CG2 4.14Å; P477-V545 HydrophobicContact CB-CG1 3.61Å; P477-V545 HydrophobicContact CB-CG2 4.17Å; P477-V545 HydrophobicContact CG-CG1 4.01Å; P477-V545 HydrophobicContact CG-CG2 4.05Å
478	D	90.7	Very high	76.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.			trans	-151.7	173.4	-177.2	72.6	24.8	0	0	0	112.9	R132 P134 M141 R143 L480 S481 V482	R132-D478 IonicContact CZ-OD2 2.77Å; R132-D478 IonicContact NE-OD2 3.91Å; R132-D478 IonicContact NH1-OD2 2.79Å; R132-D478 IonicContact NH2-OD2 3.75Å; R132-D478 PolarHBondContact NH2-OD2 3.27Å; R132-D478 VanDerWaalsContact NH2-OD2 3.15Å; P134-D478 HydrophobicContact CB-CB 3.68Å; P134-D478 HydrophobicContact CG-CB 4.08Å; M141-D478 HydrophobicContact CE-CB 4.24Å; M141-D478 HydrophobicContact SD-CB 3.65Å; R143-D478 IonicContact CZ-OD1 2.87Å; R143-D478 IonicContact CZ-OD2 2.6Å; R143-D478 VanDerWaalsContact CZ-OD2 3.28Å; R143-D478 IonicContact NE-OD1 2.87Å; R143-D478 IonicContact NE-OD2 3.89Å; R143-D478 PolarHBondContact NE-OD2 3.19Å; R143-D478 VanDerWaalsContact NH2-CG 3.33Å; R143-D478 IonicContact NH2-OD1 3.97Å; R143-D478 PolarHBondContact NH2-OD1 2.89Å; R143-D478 IonicContact NH2-OD2 2.81Å; R143-D478 PolarHBondContact NH2-OD2 2.84Å; D478-L480 PolarHBondContact O-N 3.46Å; D478-L480 PolarHBondContact OD1-N 2.95Å; D478-L480 VanDerWaalsContact OD1-N 3.08Å; D478-S481 PolarHBondContact N-OG 3.31Å; D478-S481 PolarHBondContact O-N 2.89Å; D478-S481 PolarHBondContact O-OG 3.13Å; D478-S481 WeakPolarHBondContact OD1-CB 3.23Å; D478-S481 PolarHBondContact OD1-N 2.85Å; D478-S481 PolarHBondContact OD1-OG 3.05Å; D478-V482 PolarHBondContact O-N 2.6Å
479	R	85.9	Confident	75.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-21.1	-175.1	-101.1	-169.7	-87.4	137.7	-10.4	116	Y136 M141 V387 A389 M491 E492 Q493 D497	Y136-R479 HydrophobicContact CE1-CG 4.47Å; M141-R479 HydrophobicContact SD-CB 4.1Å; V387-R479 HydrophobicContact CG2-CG 3.91Å; V387-R479 VanDerWaalsContact O-CZ 3.27Å; V387-R479 PolarHBondContact O-NE 2.94Å; V387-R479 PolarHBondContact O-NH2 2.87Å; A389-R479 PolarHBondContact O-NH2 3.3Å; R479-M491 HydrophobicContact CB-CE 4.49Å; R479-M491 HydrophobicContact CG-CE 4.12Å; R479-M491 HydrophobicContact CG-CG 3.97Å; R479-M491 HydrophobicContact CG-SD 3.59Å; R479-M491 VanDerWaalsContact CG-SD 3.59Å; R479-E492 WeakPolarHBondContact CD-O 3.06Å; R479-Q493 PolarHBondContact O-NE2 3.41Å; R479-D497 IonicContact CZ-OD1 3.05Å; R479-D497 IonicContact CZ-OD2 3.31Å; R479-D497 IonicContact NH1-OD1 3.89Å; R479-D497 PolarHBondContact NH1-OD1 3.31Å; R479-D497 IonicContact NH1-OD2 2.76Å; R479-D497 PolarHBondContact NH1-OD2 3.32Å
480	L	86.5	Confident	74.2	Confident	34 Å²	34	38.4 Å²	38.4	18%	0.178	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-18.5	-178.7	-63.2	179.4	0	0	0	113.3	M141 D478 D497 F498 D501	M141-L480 HydrophobicContact CE-CB 4.28Å; M141-L480 HydrophobicContact CE-CD1 3.81Å; M141-L480 HydrophobicContact CE-CG 3.8Å; D478-L480 PolarHBondContact O-N 3.46Å; D478-L480 PolarHBondContact OD1-N 2.95Å; D478-L480 VanDerWaalsContact OD1-N 3.08Å; L480-D497 HydrophobicContact CD1-CB 4Å; L480-D497 HydrophobicContact CD2-CB 3.99Å; L480-D497 HydrophobicContact CG-CB 4.08Å; L480-F498 HydrophobicContact CD2-CD1 3.89Å; L480-F498 HydrophobicContact CD2-CD2 4.2Å; L480-F498 HydrophobicContact CD2-CE1 3.63Å; L480-F498 HydrophobicContact CD2-CE2 3.98Å; L480-F498 HydrophobicContact CD2-CG 4.17Å; L480-F498 HydrophobicContact CD2-CZ 3.69Å; L480-D501 HydrophobicContact CD1-CB 3.81Å
481	S	84.1	Confident	73.4	Confident	56 Å²	56	38.4 Å²	38.4	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-14	179.1	47.1	0	0	0	0	113.8	R132 D478	R132-S481 PolarHBondContact NH2-OG 3.46Å; R132-S481 VanDerWaalsContact NH2-OG 3.08Å; D478-S481 PolarHBondContact N-OG 3.31Å; D478-S481 PolarHBondContact O-N 2.89Å; D478-S481 PolarHBondContact O-OG 3.13Å; D478-S481 WeakPolarHBondContact OD1-CB 3.23Å; D478-S481 PolarHBondContact OD1-N 2.85Å; D478-S481 PolarHBondContact OD1-OG 3.05Å
482	V	76.5	Confident	72.4	Confident	25 Å²	25	38.3 Å²	38.3	15%	0.152	22%	0.218	C	C	.	.	S	Bend	trans	-103.9	125.7	172.8	-173.6	0	0	0	0	109.3	P477 D478 V484 M491 A544 V545	P477-V482 HydrophobicContact CB-CG2 3.66Å; D478-V482 PolarHBondContact O-N 2.6Å; V482-V484 PolarHBondContact O-N 3.42Å; V482-M491 HydrophobicContact CB-CE 4.09Å; V482-A544 HydrophobicContact CG2-CB 4.4Å; V482-V545 HydrophobicContact CB-CG1 4.45Å; V482-V545 HydrophobicContact CG1-CG1 4.07Å; V482-V545 HydrophobicContact CG2-CG1 3.51Å
483	P	52.8	Low	71.5	Confident	99 Å²	99	40.9 Å²	40.9	64%	0.643	23%	0.229	S	C	*	.			trans	-71.4	95.2	176.9	28.2	-32.9	0	0	0	111.3	F485	P483-F485 VanDerWaalsContact C-N 3.28Å; P483-F485 WeakPolarHBondContact O-CD2 3.38Å; P483-F485 PolarHBondContact O-N 3.29Å
484	V	53.8	Low	70.7	Confident	48 Å²	48	41.7 Å²	41.7	29%	0.291	23%	0.233	S	C	.	.	S	Bend	trans	62	-2.6	147.1	-172.5	0	0	0	0	118.3	V482 P490 M491	V482-V484 PolarHBondContact O-N 3.42Å; V484-P490 HydrophobicContact CG1-CB 3.89Å; V484-P490 CarbonylContact O-C 3.4Å; V484-P490 WeakPolarHBondContact O-CA 3.28Å; V484-M491 PolarHBondContact O-N 2.95Å
485	F	53.2	Low	70.2	Confident	40 Å²	40	46.5 Å²	46.5	18%	0.175	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	111.8	-177	-62.8	-76.1	0	0	0	115	P483 P490 N791	P483-F485 VanDerWaalsContact C-N 3.28Å; P483-F485 WeakPolarHBondContact O-CD2 3.38Å; P483-F485 PolarHBondContact O-N 3.29Å; F485-P490 HydrophobicContact CE1-CG 4.35Å; F485-N791 VanDerWaalsContact CD1-O 3.29Å; F485-N791 WeakPolarHBondContact CD1-O 3.49Å; F485-N791 HydrophobicContact CD2-CB 3.97Å; F485-N791 HydrophobicContact CE1-CB 4.49Å; F485-N791 WeakPolarHBondContact CE1-O 3.28Å; F485-N791 HydrophobicContact CE2-CB 3.29Å; F485-N791 HydrophobicContact CZ-CB 3.6Å; F485-N791 WeakPolarHBondContact CZ-O 3.4Å
486	L	47.7	Very low	69.7	Low	27 Å²	27	47.1 Å²	47.1	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133	148.2	-100.1	106.1	0	0	0	107.7	G488 E489 M491 D543	L486-G488 PolarHBondContact O-N 3.35Å; L486-E489 PolarHBondContact O-N 3.46Å; L486-M491 HydrophobicContact CD1-CG 4.4Å; L486-M491 HydrophobicContact CD1-SD 3.6Å; L486-D543 VanDerWaalsContact CD1-O 3.28Å; L486-D543 WeakPolarHBondContact CD1-O 3.07Å; L486-D543 VanDerWaalsContact CD2-O 3.25Å; L486-D543 WeakPolarHBondContact CD2-O 3.26Å
487	N	48.5	Very low	69.4	Low	88 Å²	88	47.1 Å²	47.1	47%	0.471	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	12.5	174	-46	19.2	0	0	0	114.7	E489 L539 S793	N487-E489 VanDerWaalsContact C-N 3.3Å; N487-E489 PolarHBondContact O-N 3.03Å; N487-L539 WeakPolarHBondContact OD1-CD1 3.41Å; N487-S793 WeakPolarHBondContact O-CB 3.29Å
488	G	45.9	Very low	69.2	Low	21 Å²	21	50.7 Å²	50.7	22%	0.216	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	3.2	-171	0	0	0	0	0	116.4	L486	L486-G488 PolarHBondContact O-N 3.35Å
489	E	48.6	Very low	69.1	Low	102 Å²	102	53.9 Å²	53.9	48%	0.477	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142.2	165.5	-77.2	-80.4	144.6	0	0	109.1	L486 N487 M491 L915	L486-E489 PolarHBondContact O-N 3.46Å; N487-E489 VanDerWaalsContact C-N 3.3Å; N487-E489 PolarHBondContact O-N 3.03Å; E489-M491 PolarHBondContact O-N 3.33Å; E489-L915 WeakPolarHBondContact OE1-CD2 3.38Å
490	P	54.6	Low	69.2	Low	71 Å²	71	54.2 Å²	54.2	46%	0.461	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	109.7	170.5	-25.1	35.3	0	0	0	110.9	V484 F485 E492	V484-P490 HydrophobicContact CG1-CB 3.89Å; V484-P490 CarbonylContact O-C 3.4Å; V484-P490 WeakPolarHBondContact O-CA 3.28Å; F485-P490 HydrophobicContact CE1-CG 4.35Å; P490-E492 PolarHBondContact O-N 3.03Å
491	M	64.8	Low	69.3	Low	13 Å²	13	55 Å²	55	6%	0.064	30%	0.295	C	S	.	.			trans	-57.9	106.1	173.5	179.6	170.1	56.2	0	0	108	V387 R479 V482 V484 L486 E489 Q493	V387-M491 HydrophobicContact CG2-SD 4.11Å; R479-M491 HydrophobicContact CB-CE 4.49Å; R479-M491 HydrophobicContact CG-CE 4.12Å; R479-M491 HydrophobicContact CG-CG 3.97Å; R479-M491 HydrophobicContact CG-SD 3.59Å; R479-M491 VanDerWaalsContact CG-SD 3.59Å; V482-M491 HydrophobicContact CB-CE 4.09Å; V484-M491 PolarHBondContact O-N 2.95Å; L486-M491 HydrophobicContact CD1-CG 4.4Å; L486-M491 HydrophobicContact CD1-SD 3.6Å; E489-M491 PolarHBondContact O-N 3.33Å; M491-Q493 PolarHBondContact O-N 3.3Å; M491-Q493 VanDerWaalsContact O-N 3.12Å
492	E	65.4	Low	69.5	Low	122 Å²	122	60.1 Å²	60.1	57%	0.57	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-58.3	121.2	-175.3	-60.7	-175.2	139.2	0	0	109.2	L391 R479 P490	L391-E492 HydrophobicContact CD1-CB 4.18Å; L391-E492 HydrophobicContact CD2-CB 4.2Å; L391-E492 WeakPolarHBondContact CD2-O 3.48Å; R479-E492 WeakPolarHBondContact CD-O 3.06Å; P490-E492 PolarHBondContact O-N 3.03Å
493	Q	70.7	Confident	70.1	Confident	76 Å²	76	61.4 Å²	61.4	36%	0.355	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-96	129.2	175	-66	178.7	-34	0	0	108.6	R479 M491 F498	R479-Q493 PolarHBondContact O-NE2 3.41Å; M491-Q493 PolarHBondContact O-N 3.3Å; M491-Q493 VanDerWaalsContact O-N 3.12Å; Q493-F498 HydrophobicContact CB-CE2 3.8Å; Q493-F498 HydrophobicContact CB-CZ 4.31Å
494	N	77.7	Confident	71.8	Confident	22 Å²	22	57.1 Å²	57.1	12%	0.118	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-89.3	139.9	-180	-168.8	-45	0	0	0	109.8	R139 G390 L391 F496 D497	R139-N494 VanDerWaalsContact O-CG 3.29Å; R139-N494 PolarHBondContact O-ND2 3.04Å; G390-N494 PolarHBondContact O-ND2 2.89Å; L391-N494 HydrophobicContact CD2-CB 4.29Å; N494-F496 PolarHBondContact O-N 2.94Å; N494-F496 VanDerWaalsContact O-N 3.16Å; N494-F496 VanDerWaalsContact OD1-CD2 3.24Å; N494-F496 WeakPolarHBondContact OD1-CD2 3.33Å; N494-F496 PolarHBondContact OD1-N 2.9Å; N494-D497 WeakPolarHBondContact CB-OD2 2.98Å; N494-D497 PolarHBondContact N-OD2 3.18Å; N494-D497 VanDerWaalsContact O-CB 3.24Å; N494-D497 WeakPolarHBondContact O-CB 3.41Å; N494-D497 PolarHBondContact O-N 3.21Å
495	I	83.5	Confident	73.5	Confident	101 Å²	101	57.7 Å²	57.7	52%	0.518	30%	0.297	S	S	.	.	H	α-helix	trans	-53.2	-34.9	174.3	-166.7	168.5	0	0	0	112.6	D497 F498 E499	I495-D497 VanDerWaalsContact C-N 3.29Å; I495-D497 PolarHBondContact O-N 3.05Å; I495-F498 PolarHBondContact O-N 2.86Å; I495-E499 PolarHBondContact O-N 3.34Å
496	F	85.7	Confident	75.3	Confident	27 Å²	27	61.4 Å²	61.4	12%	0.118	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-29.1	176.3	-67.2	-59.8	0	0	0	112.8	Q100 L101 R139 N494 E499 V500	Q100-F496 VanDerWaalsContact NE2-CE1 3.28Å; L101-F496 HydrophobicContact CD2-CB 4.17Å; R139-F496 HydrophobicContact CB-CD2 3.9Å; R139-F496 HydrophobicContact CB-CE2 4.19Å; R139-F496 HydrophobicContact CB-CG 4.46Å; R139-F496 HydrophobicContact CG-CD2 4.39Å; R139-F496 HydrophobicContact CG-CE2 4.19Å; R139-F496 WeakPolarHBondContact O-CD2 3.3Å; N494-F496 PolarHBondContact O-N 2.94Å; N494-F496 VanDerWaalsContact O-N 3.16Å; N494-F496 VanDerWaalsContact OD1-CD2 3.24Å; N494-F496 WeakPolarHBondContact OD1-CD2 3.33Å; N494-F496 PolarHBondContact OD1-N 2.9Å; F496-E499 VanDerWaalsContact CD1-OE2 3.27Å; F496-E499 WeakPolarHBondContact CD1-OE2 3.25Å; F496-E499 PolarHBondContact O-N 2.97Å; F496-V500 WeakPolarHBondContact O-CB 3.4Å; F496-V500 WeakPolarHBondContact O-CG2 3.21Å; F496-V500 PolarHBondContact O-N 3.04Å
497	D	88.5	Confident	77.4	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-47.7	175	-51.4	-26.8	0	0	0	109.6	G140 M141 R479 L480 N494 I495 V500 D501	G140-D497 WeakPolarHBondContact CA-OD1 3.35Å; M141-D497 HydrophobicContact CB-CB 4.42Å; M141-D497 WeakPolarHBondContact CB-OD1 3.45Å; M141-D497 PolarHBondContact N-OD1 2.99Å; R479-D497 IonicContact CZ-OD1 3.05Å; R479-D497 IonicContact CZ-OD2 3.31Å; R479-D497 IonicContact NH1-OD1 3.89Å; R479-D497 PolarHBondContact NH1-OD1 3.31Å; R479-D497 IonicContact NH1-OD2 2.76Å; R479-D497 PolarHBondContact NH1-OD2 3.32Å; L480-D497 HydrophobicContact CD1-CB 4Å; L480-D497 HydrophobicContact CD2-CB 3.99Å; L480-D497 HydrophobicContact CG-CB 4.08Å; N494-D497 WeakPolarHBondContact CB-OD2 2.98Å; N494-D497 PolarHBondContact N-OD2 3.18Å; N494-D497 VanDerWaalsContact O-CB 3.24Å; N494-D497 WeakPolarHBondContact O-CB 3.41Å; N494-D497 PolarHBondContact O-N 3.21Å; I495-D497 VanDerWaalsContact C-N 3.29Å; I495-D497 PolarHBondContact O-N 3.05Å; D497-V500 PolarHBondContact O-N 3.27Å; D497-D501 PolarHBondContact O-N 3.39Å
498	F	87.3	Confident	79.6	Confident	92 Å²	92	62 Å²	62	40%	0.404	32%	0.317	S	S	.	.	H	α-helix	trans	-69.8	-30.4	177.7	-67.7	-78.9	0	0	0	113.9	L480 Q493 I495 R502	L480-F498 HydrophobicContact CD2-CD1 3.89Å; L480-F498 HydrophobicContact CD2-CD2 4.2Å; L480-F498 HydrophobicContact CD2-CE1 3.63Å; L480-F498 HydrophobicContact CD2-CE2 3.98Å; L480-F498 HydrophobicContact CD2-CG 4.17Å; L480-F498 HydrophobicContact CD2-CZ 3.69Å; Q493-F498 HydrophobicContact CB-CE2 3.8Å; Q493-F498 HydrophobicContact CB-CZ 4.31Å; I495-F498 PolarHBondContact O-N 2.86Å; F498-R502 WeakPolarHBondContact O-CB 3.16Å; F498-R502 VanDerWaalsContact O-CG 3.28Å; F498-R502 WeakPolarHBondContact O-CG 3.09Å; F498-R502 PolarHBondContact O-N 2.68Å; F498-R502 PolarHBondContact O-NE 2.83Å
499	E	89.1	Confident	81.8	Confident	66 Å²	66	63.3 Å²	63.3	31%	0.308	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-46.2	172.5	-75.2	176	-174.9	0	0	111.3	Q100 I495 F496 R502 A503	Q100-E499 PolarHBondContact NE2-OE2 3.47Å; I495-E499 PolarHBondContact O-N 3.34Å; F496-E499 VanDerWaalsContact CD1-OE2 3.27Å; F496-E499 WeakPolarHBondContact CD1-OE2 3.25Å; F496-E499 PolarHBondContact O-N 2.97Å; E499-R502 VanDerWaalsContact CG-NH2 3.31Å; E499-R502 PolarHBondContact O-N 2.92Å; E499-A503 VanDerWaalsContact O-CB 3.27Å; E499-A503 WeakPolarHBondContact O-CB 3.18Å; E499-A503 PolarHBondContact O-N 3.17Å
500	V	88.2	Confident	83.9	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.048	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-39.1	179.7	176.2	0	0	0	0	111.5	P93 I97 L101 A142 F496 D497 A503 T504	P93-V500 HydrophobicContact CG-CG1 3.98Å; I97-V500 HydrophobicContact CG2-CB 4.37Å; I97-V500 HydrophobicContact CG2-CG1 4.2Å; I97-V500 HydrophobicContact CG2-CG2 3.7Å; L101-V500 HydrophobicContact CD1-CG1 4.35Å; L101-V500 HydrophobicContact CD1-CG2 3.67Å; L101-V500 HydrophobicContact CD2-CG2 3.87Å; L101-V500 HydrophobicContact CG-CG2 3.86Å; A142-V500 HydrophobicContact CB-CG1 4.43Å; F496-V500 WeakPolarHBondContact O-CB 3.4Å; F496-V500 WeakPolarHBondContact O-CG2 3.21Å; F496-V500 PolarHBondContact O-N 3.04Å; D497-V500 PolarHBondContact O-N 3.27Å; V500-A503 CarbonylContact O-C 3.6Å; V500-A503 PolarHBondContact O-N 3.03Å; V500-T504 PolarHBondContact O-N 2.92Å; V500-T504 PolarHBondContact O-OG1 2.67Å; V500-T504 VanDerWaalsContact O-OG1 3.09Å
501	D	88.7	Confident	85.8	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-43.9	177.8	-160.4	45.8	0	0	0	111.8	R143 L480 D497 A503 T504 K509	R143-D501 IonicContact CZ-OD1 3.49Å; R143-D501 IonicContact NH1-OD1 3.75Å; R143-D501 PolarHBondContact NH1-OD1 3.18Å; R143-D501 IonicContact NH1-OD2 3.68Å; R143-D501 PolarHBondContact NH1-OD2 3.17Å; L480-D501 HydrophobicContact CD1-CB 3.81Å; D497-D501 PolarHBondContact O-N 3.39Å; D501-A503 VanDerWaalsContact C-N 3.28Å; D501-A503 PolarHBondContact O-N 2.93Å; D501-T504 VanDerWaalsContact O-CB 3.28Å; D501-T504 WeakPolarHBondContact O-CB 3.24Å; D501-T504 PolarHBondContact O-N 3.33Å; D501-T504 PolarHBondContact O-OG1 2.8Å; D501-K509 WeakPolarHBondContact O-CE 3.46Å
502	R	88.9	Confident	87.1	Confident	164 Å²	164	64 Å²	64	62%	0.619	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-38.4	172.1	-75.3	-179.5	-67.4	160.2	-1.9	112.3	F498 E499 T504 K509	F498-R502 WeakPolarHBondContact O-CB 3.16Å; F498-R502 VanDerWaalsContact O-CG 3.28Å; F498-R502 WeakPolarHBondContact O-CG 3.09Å; F498-R502 PolarHBondContact O-N 2.68Å; F498-R502 PolarHBondContact O-NE 2.83Å; E499-R502 VanDerWaalsContact CG-NH2 3.31Å; E499-R502 PolarHBondContact O-N 2.92Å; R502-T504 VanDerWaalsContact C-N 3.32Å; R502-T504 PolarHBondContact O-N 2.79Å; R502-K509 PolarHBondContact O-NZ 2.96Å
503	A	88.4	Confident	88.5	Confident	53 Å²	53	63.2 Å²	63.2	44%	0.438	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.5	179.3	0	0	0	0	0	114.9	I97 E499 V500 D501	I97-A503 HydrophobicContact CD1-CB 3.63Å; E499-A503 VanDerWaalsContact O-CB 3.27Å; E499-A503 WeakPolarHBondContact O-CB 3.18Å; E499-A503 PolarHBondContact O-N 3.17Å; V500-A503 CarbonylContact O-C 3.6Å; V500-A503 PolarHBondContact O-N 3.03Å; D501-A503 VanDerWaalsContact C-N 3.28Å; D501-A503 PolarHBondContact O-N 2.93Å
504	T	88.4	Confident	89.5	Confident	8 Å²	8	65.5 Å²	65.5	5%	0.049	32%	0.324	C	S	.	.	S	Bend	trans	-63.6	144.3	170	-67.8	0	0	0	0	109.8	V500 D501 R502 D508 K509	V500-T504 PolarHBondContact O-N 2.92Å; V500-T504 PolarHBondContact O-OG1 2.67Å; V500-T504 VanDerWaalsContact O-OG1 3.09Å; D501-T504 VanDerWaalsContact O-CB 3.28Å; D501-T504 WeakPolarHBondContact O-CB 3.24Å; D501-T504 PolarHBondContact O-N 3.33Å; D501-T504 PolarHBondContact O-OG1 2.8Å; R502-T504 VanDerWaalsContact C-N 3.32Å; R502-T504 PolarHBondContact O-N 2.79Å; T504-D508 HydrophobicContact CG2-CB 3.59Å; T504-K509 HydrophobicContact CG2-CG 4Å; T504-K509 WeakPolarHBondContact O-CE 3.48Å; T504-K509 PolarHBondContact O-NZ 2.86Å; T504-K509 VanDerWaalsContact O-NZ 3.14Å
505	S	90	Very high	90.2	Very high	60 Å²	60	64.6 Å²	64.6	42%	0.42	32%	0.32	S	S	.	.			trans	-65.4	147.7	179.4	63.3	0	0	0	0	111.8	I507 D508 K509	S505-I507 VanDerWaalsContact C-N 3.27Å; S505-I507 PolarHBondContact O-N 2.83Å; S505-D508 PolarHBondContact O-N 3.42Å; S505-D508 WeakPolarHBondContact OG-CB 3.26Å; S505-D508 PolarHBondContact OG-N 2.81Å; S505-K509 PolarHBondContact O-N 3.09Å
506	E	91.7	Very high	90.5	Very high	119 Å²	119	64.5 Å²	64.5	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-60	-36.7	-179.4	-61.1	-50.3	125	0	0	112.3	D508 K509 E510	E506-D508 VanDerWaalsContact C-N 3.31Å; E506-D508 PolarHBondContact O-N 2.85Å; E506-K509 PolarHBondContact O-N 2.83Å; E506-K509 IonicContact OE1-NZ 3.91Å; E506-K509 PolarHBondContact OE1-NZ 2.68Å; E506-K509 IonicContact OE2-NZ 3.54Å; E506-E510 WeakPolarHBondContact O-CB 3.27Å; E506-E510 WeakPolarHBondContact O-CG 3.37Å; E506-E510 PolarHBondContact O-N 2.83Å
507	I	91.6	Very high	90.7	Very high	114 Å²	114	66.4 Å²	66.4	59%	0.585	33%	0.334	S	S	*	.	H	α-helix	trans	-58.4	-42.1	173.7	-59.3	171.2	0	0	0	111.5	S505 L511	S505-I507 VanDerWaalsContact C-N 3.27Å; S505-I507 PolarHBondContact O-N 2.83Å; I507-L511 HydrophobicContact CG2-CD1 4.19Å; I507-L511 WeakPolarHBondContact O-CB 3.48Å; I507-L511 VanDerWaalsContact O-CG 3.29Å; I507-L511 WeakPolarHBondContact O-CG 3.42Å; I507-L511 PolarHBondContact O-N 2.87Å; I507-L511 VanDerWaalsContact O-N 3.11Å
508	D	93.2	Very high	90.5	Very high	13 Å²	13	68.6 Å²	68.6	7%	0.07	34%	0.344	C	S	.	.	H	α-helix	trans	-71.5	-36.1	178.6	-85.9	14.9	0	0	0	111.6	S91 R145 R147 T504 S505 E506 D512	S91-D508 PolarHBondContact OG-OD2 2.87Å; R145-D508 WeakPolarHBondContact CD-OD2 3.33Å; R145-D508 IonicContact CZ-OD2 3.36Å; R145-D508 IonicContact NE-OD2 3.53Å; R145-D508 IonicContact NH1-OD2 3.17Å; R145-D508 PolarHBondContact NH1-OD2 3.15Å; R147-D508 IonicContact CZ-OD1 2.68Å; R147-D508 IonicContact NH1-OD1 3.79Å; R147-D508 PolarHBondContact NH1-OD1 2.99Å; R147-D508 IonicContact NH2-OD1 3.97Å; R147-D508 PolarHBondContact NH2-OD1 3.49Å; R147-D508 IonicContact NH2-OD2 3.01Å; T504-D508 HydrophobicContact CG2-CB 3.59Å; S505-D508 PolarHBondContact O-N 3.42Å; S505-D508 WeakPolarHBondContact OG-CB 3.26Å; S505-D508 PolarHBondContact OG-N 2.81Å; E506-D508 VanDerWaalsContact C-N 3.31Å; E506-D508 PolarHBondContact O-N 2.85Å; D508-D512 WeakPolarHBondContact O-CB 3.4Å; D508-D512 VanDerWaalsContact O-CG 3.31Å; D508-D512 PolarHBondContact O-N 3.38Å
509	K	92	Very high	90.3	Very high	48 Å²	48	65 Å²	65	21%	0.209	33%	0.33	C	S	.	.	H	α-helix	trans	-66	-45.3	173.1	-68	173	-174.8	158.5	0	112	D501 R502 T504 S505 E506 L511 D512 N513	D501-K509 WeakPolarHBondContact O-CE 3.46Å; R502-K509 PolarHBondContact O-NZ 2.96Å; T504-K509 HydrophobicContact CG2-CG 4Å; T504-K509 WeakPolarHBondContact O-CE 3.48Å; T504-K509 PolarHBondContact O-NZ 2.86Å; T504-K509 VanDerWaalsContact O-NZ 3.14Å; S505-K509 PolarHBondContact O-N 3.09Å; E506-K509 PolarHBondContact O-N 2.83Å; E506-K509 IonicContact OE1-NZ 3.91Å; E506-K509 PolarHBondContact OE1-NZ 2.68Å; E506-K509 IonicContact OE2-NZ 3.54Å; K509-L511 VanDerWaalsContact C-N 3.31Å; K509-L511 PolarHBondContact O-N 2.75Å; K509-D512 PolarHBondContact O-N 2.7Å; K509-N513 VanDerWaalsContact O-CB 3.25Å; K509-N513 WeakPolarHBondContact O-CB 3.05Å; K509-N513 PolarHBondContact O-N 3.24Å; K509-N513 PolarHBondContact O-ND2 3.45Å
510	E	94.6	Very high	89.8	Confident	132 Å²	132	67.2 Å²	67.2	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-59	-42.5	176.3	-77.1	178.8	179.7	0	0	111.6	E506 K514	E506-E510 WeakPolarHBondContact O-CB 3.27Å; E506-E510 WeakPolarHBondContact O-CG 3.37Å; E506-E510 PolarHBondContact O-N 2.83Å; E510-K514 VanDerWaalsContact O-CB 3.29Å; E510-K514 WeakPolarHBondContact O-CB 3.47Å; E510-K514 PolarHBondContact O-N 3.44Å
511	L	93.4	Very high	89.1	Confident	58 Å²	58	74 Å²	74	30%	0.304	38%	0.375	S	S	.	.	H	α-helix	trans	-67	-42.4	176.7	-75	170.7	0	0	0	112.6	Y129 R147 I507 K509 A515	Y129-L511 HydrophobicContact CD1-CB 3.83Å; Y129-L511 HydrophobicContact CD1-CD2 4.41Å; Y129-L511 HydrophobicContact CE1-CB 3.83Å; R147-L511 VanDerWaalsContact NH2-CD1 3.28Å; I507-L511 HydrophobicContact CG2-CD1 4.19Å; I507-L511 WeakPolarHBondContact O-CB 3.48Å; I507-L511 VanDerWaalsContact O-CG 3.29Å; I507-L511 WeakPolarHBondContact O-CG 3.42Å; I507-L511 PolarHBondContact O-N 2.87Å; I507-L511 VanDerWaalsContact O-N 3.11Å; K509-L511 VanDerWaalsContact C-N 3.31Å; K509-L511 PolarHBondContact O-N 2.75Å; L511-A515 WeakPolarHBondContact O-CB 3.49Å; L511-A515 PolarHBondContact O-N 2.85Å
512	D	93.4	Very high	88	Confident	10 Å²	10	80.6 Å²	80.6	5%	0.053	40%	0.401	C	S	.	.	H	α-helix	trans	-65.3	-43.4	175.2	-73.9	-4.1	0	0	0	111.3	Y129 R132 R145 D508 K509 A515 H516	Y129-D512 WeakPolarHBondContact CE1-OD1 3.35Å; Y129-D512 PolarHBondContact OH-OD1 3.18Å; R132-D512 WeakPolarHBondContact CD-OD2 3.4Å; R145-D512 IonicContact CZ-OD2 3.22Å; R145-D512 VanDerWaalsContact CZ-OD2 3.29Å; R145-D512 IonicContact NE-OD1 2.65Å; R145-D512 PolarHBondContact NE-OD1 2.89Å; R145-D512 VanDerWaalsContact NE-OD1 3.14Å; R145-D512 IonicContact NE-OD2 3.28Å; R145-D512 PolarHBondContact NE-OD2 3.22Å; R145-D512 IonicContact NH2-OD2 2.67Å; R145-D512 PolarHBondContact NH2-OD2 3.48Å; D508-D512 WeakPolarHBondContact O-CB 3.4Å; D508-D512 VanDerWaalsContact O-CG 3.31Å; D508-D512 PolarHBondContact O-N 3.38Å; K509-D512 PolarHBondContact O-N 2.7Å; D512-A515 PolarHBondContact O-N 3.26Å; D512-H516 WeakPolarHBondContact O-CB 3.4Å; D512-H516 PolarHBondContact O-N 2.83Å
513	N	93.3	Very high	87.5	Confident	107 Å²	107	74.6 Å²	74.6	57%	0.572	38%	0.384	S	S	*	.	H	α-helix	trans	-63.5	-41.9	176.9	-73.1	-21.8	0	0	0	111.9	K509 H516 S517	K509-N513 VanDerWaalsContact O-CB 3.25Å; K509-N513 WeakPolarHBondContact O-CB 3.05Å; K509-N513 PolarHBondContact O-N 3.24Å; K509-N513 PolarHBondContact O-ND2 3.45Å; N513-H516 PolarHBondContact O-N 3.48Å; N513-S517 PolarHBondContact O-N 2.95Å; N513-S517 PolarHBondContact O-OG 3.29Å
514	K	92.6	Very high	87	Confident	124 Å²	124	76.5 Å²	76.5	54%	0.539	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-50.2	175.5	-177.8	173.3	-179.7	173.6	0	111.1	E510 H516 S517 E518	E510-K514 VanDerWaalsContact O-CB 3.29Å; E510-K514 WeakPolarHBondContact O-CB 3.47Å; E510-K514 PolarHBondContact O-N 3.44Å; K514-H516 PolarHBondContact O-N 3.03Å; K514-S517 PolarHBondContact O-N 2.75Å; K514-S517 VanDerWaalsContact O-N 3.16Å; K514-S517 PolarHBondContact O-OG 3.35Å; K514-E518 WeakPolarHBondContact CE-OE1 3.14Å; K514-E518 WeakPolarHBondContact O-CG 3.37Å; K514-E518 PolarHBondContact O-N 3Å
515	A	92	Very high	87	Confident	3 Å²	3	78.6 Å²	78.6	3%	0.025	40%	0.401	C	S	.	.	H	α-helix	trans	-59.3	-36.2	175.8	0	0	0	0	0	112.3	T473 L475 L511 D512 S519	T473-A515 HydrophobicContact CG2-CB 3.85Å; L475-A515 HydrophobicContact CD1-CB 4.14Å; L475-A515 HydrophobicContact CD2-CB 4.02Å; L475-A515 HydrophobicContact CG-CB 4.14Å; L511-A515 WeakPolarHBondContact O-CB 3.49Å; L511-A515 PolarHBondContact O-N 2.85Å; D512-A515 PolarHBondContact O-N 3.26Å; A515-S519 PolarHBondContact O-N 2.98Å; A515-S519 VanDerWaalsContact O-N 3.15Å
516	H	90.2	Very high	87	Confident	98 Å²	98	75.7 Å²	75.7	45%	0.454	38%	0.381	S	S	.	.	H	α-helix	trans	-66.5	-46.1	174	-173.2	65.2	0	0	0	111.9	L475 D512 N513 K514 E518 S519 L520	L475-H516 HydrophobicContact CD1-CB 3.96Å; D512-H516 WeakPolarHBondContact O-CB 3.4Å; D512-H516 PolarHBondContact O-N 2.83Å; N513-H516 PolarHBondContact O-N 3.48Å; K514-H516 PolarHBondContact O-N 3.03Å; H516-E518 PolarHBondContact O-N 3.2Å; H516-S519 WeakPolarHBondContact O-CA 3.42Å; H516-S519 WeakPolarHBondContact O-CB 3.47Å; H516-S519 PolarHBondContact O-N 2.95Å; H516-S519 PolarHBondContact O-OG 2.9Å; H516-L520 PolarHBondContact O-N 3.35Å
517	S	89.1	Confident	87	Confident	67 Å²	67	70.1 Å²	70.1	47%	0.469	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-39.8	177.9	64.8	0	0	0	0	113.2	N513 K514 S519 L520	N513-S517 PolarHBondContact O-N 2.95Å; N513-S517 PolarHBondContact O-OG 3.29Å; K514-S517 PolarHBondContact O-N 2.75Å; K514-S517 VanDerWaalsContact O-N 3.16Å; K514-S517 PolarHBondContact O-OG 3.35Å; S517-S519 VanDerWaalsContact C-N 3.28Å; S517-S519 PolarHBondContact O-N 3.08Å; S517-L520 WeakPolarHBondContact O-CB 3.32Å; S517-L520 PolarHBondContact O-N 2.99Å; S517-L520 VanDerWaalsContact O-N 3.16Å
518	E	84.5	Confident	87.1	Confident	48 Å²	48	65.7 Å²	65.7	22%	0.224	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-36.5	172.9	-68.4	170.4	177.5	0	0	111.3	K127 K514 H516 L520 E521	K127-E518 IonicContact NZ-OE1 3.27Å; K127-E518 PolarHBondContact NZ-OE1 3.25Å; K127-E518 IonicContact NZ-OE2 3.12Å; K127-E518 PolarHBondContact NZ-OE2 3.22Å; K514-E518 WeakPolarHBondContact CE-OE1 3.14Å; K514-E518 WeakPolarHBondContact O-CG 3.37Å; K514-E518 PolarHBondContact O-N 3Å; H516-E518 PolarHBondContact O-N 3.2Å; E518-L520 PolarHBondContact O-N 2.75Å; E518-E521 WeakPolarHBondContact O-CB 3.31Å; E518-E521 PolarHBondContact O-N 3Å; E518-E521 VanDerWaalsContact O-N 3.17Å
519	S	82.3	Confident	87.1	Confident	15 Å²	15	65.1 Å²	65.1	11%	0.105	33%	0.328	C	S	.	.	H	α-helix	trans	-71.8	-11.1	177.1	76.7	0	0	0	0	115	A515 H516 S517 H528 N530	A515-S519 PolarHBondContact O-N 2.98Å; A515-S519 VanDerWaalsContact O-N 3.15Å; H516-S519 WeakPolarHBondContact O-CA 3.42Å; H516-S519 WeakPolarHBondContact O-CB 3.47Å; H516-S519 PolarHBondContact O-N 2.95Å; H516-S519 PolarHBondContact O-OG 2.9Å; S517-S519 VanDerWaalsContact C-N 3.28Å; S517-S519 PolarHBondContact O-N 3.08Å; S519-H528 WeakPolarHBondContact CB-ND1 3.15Å; S519-N530 VanDerWaalsContact CB-ND2 3.29Å; S519-N530 WeakPolarHBondContact CB-ND2 3.47Å; S519-N530 PolarHBondContact OG-ND2 3.43Å
520	L	80.4	Confident	87.1	Confident	114 Å²	114	63.7 Å²	63.7	60%	0.597	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.7	172.4	-65.1	171.7	0	0	0	112.8	H516 S517 E518 K522	H516-L520 PolarHBondContact O-N 3.35Å; S517-L520 WeakPolarHBondContact O-CB 3.32Å; S517-L520 PolarHBondContact O-N 2.99Å; S517-L520 VanDerWaalsContact O-N 3.16Å; E518-L520 PolarHBondContact O-N 2.75Å; L520-K522 PolarHBondContact O-N 3.21Å
521	E	72.5	Confident	87	Confident	150 Å²	150	58.7 Å²	58.7	70%	0.701	30%	0.301	S	S	*	.	S	Bend	trans	-64.4	116.8	174.3	-67	-170.3	172.3	0	0	110.3	E518 S523	E518-E521 WeakPolarHBondContact O-CB 3.31Å; E518-E521 PolarHBondContact O-N 3Å; E518-E521 VanDerWaalsContact O-N 3.17Å; E521-S523 PolarHBondContact O-N 2.95Å
522	K	65.2	Low	87.1	Confident	187 Å²	187	56 Å²	56	81%	0.813	29%	0.286	S	S	*	.			trans	-74.4	89.6	-172.9	-71.5	-172.7	176.9	-177.2	0	112.3	L520 T524	L520-K522 PolarHBondContact O-N 3.21Å; K522-T524 PolarHBondContact O-N 3.37Å
523	S	78.4	Confident	87.2	Confident	39 Å²	39	55.7 Å²	55.7	27%	0.273	29%	0.285	S	S	.	.			trans	-63	121.8	159.4	168.6	0	0	0	0	110.4	E521 I525 C526 S658	E521-S523 PolarHBondContact O-N 2.95Å; S523-I525 VanDerWaalsContact C-N 3.32Å; S523-C526 WeakPolarHBondContact CB-O 3.36Å; S523-C526 PolarHBondContact OG-N 3.09Å; S523-C526 PolarHBondContact OG-O 2.74Å; S523-S658 VanDerWaalsContact O-CB 3.27Å; S523-S658 WeakPolarHBondContact O-CB 3.37Å; S523-S658 PolarHBondContact O-OG 3.49Å
524	T	79.5	Confident	87.3	Confident	93 Å²	93	52.6 Å²	52.6	57%	0.571	27%	0.267	S	S	*	.	S	Bend	trans	-86.1	0.7	178.8	53.6	0	0	0	0	114	K522	K522-T524 PolarHBondContact O-N 3.37Å
525	I	87	Confident	87.4	Confident	51 Å²	51	46.7 Å²	46.7	26%	0.262	24%	0.241	S	C	.	.	S	Bend	trans	-112.3	-52.2	-174.5	-58.5	176.3	0	0	0	111	L448 K449 S523 F654	L448-I525 HydrophobicContact CB-CG2 3.89Å; K449-I525 HydrophobicContact CD-CD1 4.39Å; K449-I525 HydrophobicContact CG-CD1 3.94Å; S523-I525 VanDerWaalsContact C-N 3.32Å; I525-F654 VanDerWaalsContact O-CE1 3.32Å; I525-F654 WeakPolarHBondContact O-CE1 3.35Å
526	C	90.2	Very high	87.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-142.8	137.3	-176.4	-177.6	0	0	0	0	110.5	F441 N445 S523 F654 S658	F441-C526 HydrophobicContact CD2-CB 4.18Å; F441-C526 HydrophobicContact CE2-CB 4.14Å; N445-C526 HydrophobicContact CB-CB 4.41Å; S523-C526 WeakPolarHBondContact CB-O 3.36Å; S523-C526 PolarHBondContact OG-N 3.09Å; S523-C526 PolarHBondContact OG-O 2.74Å; C526-F654 HydrophobicContact CB-CE1 4.42Å; C526-F654 HydrophobicContact CB-CZ 4.23Å; C526-S658 VanDerWaalsContact C-OG 3.26Å
527	P	92.5	Very high	87.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.013	22%	0.221	C	C	.	.			trans	-58	145.7	176.2	-26	35.4	0	0	0	112.9	F441 N531 L532 F654 R657	F441-P527 WeakPolarHBondContact CD2-O 3.46Å; P527-N531 HydrophobicContact CB-CB 4.17Å; P527-L532 HydrophobicContact CB-CD2 4.03Å; P527-L532 HydrophobicContact CG-CD2 4.28Å; P527-F654 HydrophobicContact CG-CD2 3.69Å; P527-F654 HydrophobicContact CG-CE2 3.98Å; P527-F654 HydrophobicContact CG-CG 4.05Å; P527-R657 HydrophobicContact CB-CB 4Å; P527-R657 HydrophobicContact CG-CB 4.17Å
528	H	92.6	Very high	88.1	Confident	21 Å²	21	40 Å²	40	10%	0.097	20%	0.204	C	C	.	.			trans	-58.4	142.4	174.7	179.2	-83.7	0	0	0	111.2	T472 S519 N530 N531	T472-H528 WeakPolarHBondContact CG2-NE2 3.44Å; S519-H528 WeakPolarHBondContact CB-ND1 3.15Å; H528-N530 VanDerWaalsContact C-N 3.27Å; H528-N530 VanDerWaalsContact CE1-CG 3.48Å; H528-N530 PolarHBondContact CE1-ND2 3.48Å; H528-N530 PolarHBondContact ND1-N 3.31Å; H528-N530 PolarHBondContact O-N 2.9Å; H528-N531 WeakPolarHBondContact O-CB 3.47Å; H528-N531 PolarHBondContact O-N 3.35Å; H528-N531 PolarHBondContact O-ND2 3.16Å
529	P	93.2	Very high	88.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-45.4	-38.9	-175	-33.8	35.8	0	0	0	116.7	F441 I474 N531 L532	F441-P529 HydrophobicContact CB-CG 3.73Å; F441-P529 HydrophobicContact CD1-CG 4.04Å; F441-P529 HydrophobicContact CD2-CG 4.34Å; F441-P529 HydrophobicContact CG-CG 3.77Å; I474-P529 HydrophobicContact CG1-CB 4.23Å; P529-N531 PolarHBondContact O-N 3.21Å; P529-L532 PolarHBondContact O-N 3.36Å
530	N	92.6	Very high	88.6	Confident	19 Å²	19	42.2 Å²	42.2	10%	0.102	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-51.3	-38	174.5	-64.1	-5.7	0	0	0	113.1	I474 L475 S519 H528 L532	I474-N530 VanDerWaalsContact CA-OD1 3.31Å; I474-N530 WeakPolarHBondContact CA-OD1 3.45Å; L475-N530 PolarHBondContact N-OD1 2.98Å; S519-N530 VanDerWaalsContact CB-ND2 3.29Å; S519-N530 WeakPolarHBondContact CB-ND2 3.47Å; S519-N530 PolarHBondContact OG-ND2 3.43Å; H528-N530 VanDerWaalsContact C-N 3.27Å; H528-N530 VanDerWaalsContact CE1-CG 3.48Å; H528-N530 PolarHBondContact CE1-ND2 3.48Å; H528-N530 PolarHBondContact ND1-N 3.31Å; H528-N530 PolarHBondContact O-N 2.9Å; N530-L532 VanDerWaalsContact C-N 3.33Å
531	N	92.9	Very high	89.1	Confident	27 Å²	27	37.1 Å²	37.1	14%	0.144	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-82.5	-9.1	-179.2	-53.6	-75.3	0	0	0	113.2	P527 H528 P529 P535 C653 R657	P527-N531 HydrophobicContact CB-CB 4.17Å; H528-N531 WeakPolarHBondContact O-CB 3.47Å; H528-N531 PolarHBondContact O-N 3.35Å; H528-N531 PolarHBondContact O-ND2 3.16Å; P529-N531 PolarHBondContact O-N 3.21Å; N531-P535 WeakPolarHBondContact O-CD 3.45Å; N531-C653 PolarHBondContact O-SG 3.25Å; N531-R657 HydrophobicContact CB-CG 3.98Å; N531-R657 WeakPolarHBondContact OD1-CD 3.31Å; N531-R657 PolarHBondContact OD1-NE 2.99Å
532	L	95.4	Very high	89.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-88.9	-7.5	177.7	-61.2	-179.7	0	0	0	112.8	A437 L440 F441 P527 P529 N530 T536 L650 F654	A437-L532 HydrophobicContact CB-CB 4.39Å; L440-L532 HydrophobicContact CD2-CD1 4.5Å; L440-L532 HydrophobicContact CG-CD1 4.35Å; F441-L532 HydrophobicContact CB-CD1 3.84Å; P527-L532 HydrophobicContact CB-CD2 4.03Å; P527-L532 HydrophobicContact CG-CD2 4.28Å; P529-L532 PolarHBondContact O-N 3.36Å; N530-L532 VanDerWaalsContact C-N 3.33Å; L532-T536 WeakPolarHBondContact O-CG2 3.47Å; L532-T536 PolarHBondContact O-OG1 2.99Å; L532-L650 HydrophobicContact CD2-CD2 4.15Å; L532-F654 HydrophobicContact CD2-CE2 4.45Å
533	I	95.4	Very high	90.9	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-75.9	-40.6	176.6	-62.3	170.7	0	0	0	111.3	A437 I474 V476 P477 T536 T537 V545	A437-I533 HydrophobicContact CB-CG1 3.82Å; I474-I533 HydrophobicContact CG2-CD1 3.8Å; V476-I533 HydrophobicContact CG2-CD1 4.45Å; P477-I533 HydrophobicContact CG-CB 4.38Å; P477-I533 HydrophobicContact CG-CG2 4.14Å; I533-T536 PolarHBondContact O-N 2.69Å; I533-T536 PolarHBondContact O-OG1 2.75Å; I533-T537 WeakPolarHBondContact O-CB 3.29Å; I533-T537 PolarHBondContact O-N 3.4Å; I533-T537 PolarHBondContact O-OG1 3.44Å; I533-V545 HydrophobicContact CG2-CG2 4.34Å
534	E	94.2	Very high	91.4	Very high	42 Å²	42	27.6 Å²	27.6	20%	0.196	15%	0.146	C	C	.	.	S	Bend	trans	-58.1	-58.3	177.7	-175.1	-176.5	174.3	0	0	112.2	T536 T537 V545 L550 R657	E534-T536 PolarHBondContact O-N 3.4Å; E534-T536 VanDerWaalsContact O-N 3.16Å; E534-T537 PolarHBondContact O-N 3.08Å; E534-T537 VanDerWaalsContact O-N 3.17Å; E534-V545 HydrophobicContact CB-CB 4.33Å; E534-V545 HydrophobicContact CB-CG2 4.37Å; E534-V545 HydrophobicContact CG-CB 4.22Å; E534-V545 HydrophobicContact CG-CG1 4.49Å; E534-L550 HydrophobicContact CB-CD1 4.11Å; E534-L550 HydrophobicContact CG-CD1 3.61Å; E534-L550 HydrophobicContact CG-CG 4.35Å; E534-R657 IonicContact OE2-NH2 3.84Å
535	P	96.1	Very high	91.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.2	-177.8	30.7	-39	0	0	0	114.7	N531 L547 L550 M646 A649 L650 C653	N531-P535 WeakPolarHBondContact O-CD 3.45Å; P535-L547 WeakPolarHBondContact O-CD2 3.25Å; P535-L550 HydrophobicContact CB-CD1 3.94Å; P535-L550 HydrophobicContact CG-CD1 4.31Å; P535-M646 WeakPolarHBondContact O-CG 3.36Å; P535-A649 HydrophobicContact CB-CB 3.75Å; P535-A649 WeakPolarHBondContact CB-O 3.42Å; P535-L650 HydrophobicContact CB-CD2 4.02Å; P535-L650 HydrophobicContact CB-CG 4.12Å; P535-L650 HydrophobicContact CG-CD2 3.73Å; P535-L650 HydrophobicContact CG-CG 4.39Å; P535-C653 HydrophobicContact CB-CB 4.21Å; P535-C653 HydrophobicContact CG-CB 3.9Å
536	T	96.7	Very high	92	Very high	10 Å²	10	21.9 Å²	21.9	6%	0.061	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.5	176.5	62	0	0	0	0	113.5	L440 L532 I533 E534 Y604 T606 M646 L650	L440-T536 HydrophobicContact CD2-CG2 4.07Å; L532-T536 WeakPolarHBondContact O-CG2 3.47Å; L532-T536 PolarHBondContact O-OG1 2.99Å; I533-T536 PolarHBondContact O-N 2.69Å; I533-T536 PolarHBondContact O-OG1 2.75Å; E534-T536 PolarHBondContact O-N 3.4Å; E534-T536 VanDerWaalsContact O-N 3.16Å; T536-Y604 WeakPolarHBondContact CB-O 3.33Å; T536-T606 PolarHBondContact O-N 3.43Å; T536-M646 HydrophobicContact CG2-SD 4.34Å; T536-L650 HydrophobicContact CG2-CD2 4.46Å
537	T	95.2	Very high	92.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-111.6	113.3	179.7	-58.3	0	0	0	0	110.6	R433 I533 E534 A541 D543 V545 D546 L547	R433-T537 PolarHBondContact NH2-OG1 2.95Å; I533-T537 WeakPolarHBondContact O-CB 3.29Å; I533-T537 PolarHBondContact O-N 3.4Å; I533-T537 PolarHBondContact O-OG1 3.44Å; E534-T537 PolarHBondContact O-N 3.08Å; E534-T537 VanDerWaalsContact O-N 3.17Å; T537-A541 HydrophobicContact CG2-CB 3.62Å; T537-D543 HydrophobicContact CG2-CB 3.98Å; T537-V545 VanDerWaalsContact CG2-O 3.28Å; T537-V545 WeakPolarHBondContact CG2-O 3.47Å; T537-D546 CarbonylContact O-C 3.49Å; T537-D546 WeakPolarHBondContact O-CA 3.37Å; T537-L547 WeakPolarHBondContact O-CB 3.34Å; T537-L547 PolarHBondContact O-N 3.29Å
538	L	94	Very high	92.2	Very high	19 Å²	19	24.2 Å²	24.2	10%	0.099	12%	0.124	C	C	.	.			trans	-79.3	155.3	178	-71.4	158.6	0	0	0	111.2	G540 A541 L547 C605 T606 L638	L538-G540 PolarHBondContact O-N 2.96Å; L538-A541 WeakPolarHBondContact O-CB 3.47Å; L538-A541 PolarHBondContact O-N 2.91Å; L538-L547 HydrophobicContact CD2-CD2 3.61Å; L538-L547 HydrophobicContact CD2-CG 4.29Å; L538-L547 HydrophobicContact CG-CD2 3.99Å; L538-C605 WeakPolarHBondContact CD1-SG 3.4Å; L538-T606 PolarHBondContact N-O 3.11Å; L538-L638 HydrophobicContact CD1-CD2 3.89Å
539	L	88.8	Confident	92.2	Very high	70 Å²	70	25.5 Å²	25.5	37%	0.366	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-47	-37.3	173	-175.4	69.9	0	0	0	113.5	N487 A541 R542	N487-L539 WeakPolarHBondContact OD1-CD1 3.41Å; L539-A541 PolarHBondContact O-N 3.12Å; L539-R542 PolarHBondContact O-N 3.19Å
540	G	88.5	Confident	92.3	Very high	39 Å²	39	25.5 Å²	25.5	40%	0.402	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-62.7	-19.8	178	0	0	0	0	0	114.9	L538 G607 Q608 T609	L538-G540 PolarHBondContact O-N 2.96Å; G540-G607 CarbonylContact C-O 3.53Å; G540-G607 VanDerWaalsContact C-O 3.29Å; G540-G607 WeakPolarHBondContact CA-O 3.39Å; G540-Q608 CarbonylContact O-C 3.47Å; G540-Q608 WeakPolarHBondContact O-CA 3.47Å; G540-T609 PolarHBondContact O-N 3.25Å; G540-T609 VanDerWaalsContact O-N 3.16Å; G540-T609 PolarHBondContact O-OG1 3.02Å
541	A	90	Very high	92.5	Very high	7 Å²	7	26.6 Å²	26.6	6%	0.058	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-65.6	-36.5	175.3	0	0	0	0	0	112.6	T537 L538 L539 D543 T606 T609	T537-A541 HydrophobicContact CG2-CB 3.62Å; L538-A541 WeakPolarHBondContact O-CB 3.47Å; L538-A541 PolarHBondContact O-N 2.91Å; L539-A541 PolarHBondContact O-N 3.12Å; A541-D543 VanDerWaalsContact C-N 3.31Å; A541-D543 HydrophobicContact CB-CB 4.4Å; A541-T606 HydrophobicContact CB-CG2 3.9Å; A541-T609 VanDerWaalsContact O-CA 3.25Å; A541-T609 WeakPolarHBondContact O-CA 3.29Å; A541-T609 PolarHBondContact O-OG1 3.47Å
542	R	87.5	Confident	92.6	Very high	168 Å²	168	25.6 Å²	25.6	63%	0.634	13%	0.127	S	C	*	.			trans	54.1	45.5	-171.2	-52.5	-179.5	176.5	-173.2	-2.6	112.6	V387 L539 T609	V387-R542 VanDerWaalsContact CG1-O 3.29Å; V387-R542 WeakPolarHBondContact CG1-O 3.07Å; L539-R542 PolarHBondContact O-N 3.19Å; R542-T609 WeakPolarHBondContact CD-OG1 3.43Å
543	D	88.5	Confident	92.5	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.043	13%	0.13	C	C	.	.	S	Bend	trans	-91.7	-171.2	176.8	-161	5.2	0	0	0	111	R433 L486 T537 A541 V545	R433-D543 IonicContact CZ-OD2 2.89Å; R433-D543 IonicContact NH1-OD2 3.62Å; R433-D543 PolarHBondContact NH1-OD2 2.91Å; R433-D543 IonicContact NH2-OD2 2.75Å; R433-D543 PolarHBondContact NH2-OD2 3.34Å; L486-D543 VanDerWaalsContact CD1-O 3.28Å; L486-D543 WeakPolarHBondContact CD1-O 3.07Å; L486-D543 VanDerWaalsContact CD2-O 3.25Å; L486-D543 WeakPolarHBondContact CD2-O 3.26Å; T537-D543 HydrophobicContact CG2-CB 3.98Å; A541-D543 VanDerWaalsContact C-N 3.31Å; A541-D543 HydrophobicContact CB-CB 4.4Å; D543-V545 PolarHBondContact O-N 3.28Å
544	A	87.9	Confident	92.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-74.9	-7.7	175.3	0	0	0	0	0	115	V387 V482	V387-A544 HydrophobicContact CG2-CB 4.15Å; V482-A544 HydrophobicContact CG2-CB 4.4Å
545	V	89.5	Confident	92.8	Very high	10 Å²	10	25.6 Å²	25.6	6%	0.061	13%	0.127	C	C	.	.			trans	-140.6	155.1	176.7	-69	0	0	0	0	110.1	P477 V482 I533 E534 T537 D543	P477-V545 HydrophobicContact CB-CG1 3.61Å; P477-V545 HydrophobicContact CB-CG2 4.17Å; P477-V545 HydrophobicContact CG-CG1 4.01Å; P477-V545 HydrophobicContact CG-CG2 4.05Å; V482-V545 HydrophobicContact CB-CG1 4.45Å; V482-V545 HydrophobicContact CG1-CG1 4.07Å; V482-V545 HydrophobicContact CG2-CG1 3.51Å; I533-V545 HydrophobicContact CG2-CG2 4.34Å; E534-V545 HydrophobicContact CB-CB 4.33Å; E534-V545 HydrophobicContact CB-CG2 4.37Å; E534-V545 HydrophobicContact CG-CB 4.22Å; E534-V545 HydrophobicContact CG-CG1 4.49Å; T537-V545 VanDerWaalsContact CG2-O 3.28Å; T537-V545 WeakPolarHBondContact CG2-O 3.47Å; D543-V545 PolarHBondContact O-N 3.28Å
546	D	90.8	Very high	92.8	Very high	14 Å²	14	25.9 Å²	25.9	8%	0.075	13%	0.128	C	C	.	.			trans	-138	164.6	169.3	65.8	73.9	0	0	0	110	T537 E548	T537-D546 CarbonylContact O-C 3.49Å; T537-D546 WeakPolarHBondContact O-CA 3.37Å; D546-E548 WeakPolarHBondContact OD1-CB 3.35Å; D546-E548 WeakPolarHBondContact OD1-CG 3.44Å; D546-E548 PolarHBondContact OD1-N 3.16Å
547	L	94.4	Very high	92.7	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.126	C	C	.	.	S	Bend	trans	-85.1	-10.8	-175.4	66.8	76.8	0	0	0	114.8	P535 T537 L538 R549 L550 E551 D645 M646 A649	P535-L547 WeakPolarHBondContact O-CD2 3.25Å; T537-L547 WeakPolarHBondContact O-CB 3.34Å; T537-L547 PolarHBondContact O-N 3.29Å; L538-L547 HydrophobicContact CD2-CD2 3.61Å; L538-L547 HydrophobicContact CD2-CG 4.29Å; L538-L547 HydrophobicContact CG-CD2 3.99Å; L547-R549 VanDerWaalsContact C-N 3.29Å; L547-R549 PolarHBondContact O-N 3.46Å; L547-R549 VanDerWaalsContact O-N 3.15Å; L547-L550 PolarHBondContact O-N 2.9Å; L547-E551 HydrophobicContact CD1-CB 3.97Å; L547-E551 PolarHBondContact O-N 3.01Å; L547-D645 HydrophobicContact CD1-CB 4Å; L547-M646 HydrophobicContact CD2-CB 4.11Å; L547-A649 HydrophobicContact CB-CB 3.71Å; L547-A649 HydrophobicContact CD1-CB 4.19Å; L547-A649 HydrophobicContact CG-CB 4.38Å
548	E	92.4	Very high	92.9	Very high	48 Å²	48	25.5 Å²	25.5	22%	0.224	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-31	-161.1	-60.3	-170.8	126.2	0	0	113.1	D546 F552 P794	D546-E548 WeakPolarHBondContact OD1-CB 3.35Å; D546-E548 WeakPolarHBondContact OD1-CG 3.44Å; D546-E548 PolarHBondContact OD1-N 3.16Å; E548-F552 PolarHBondContact O-N 3.05Å; E548-F552 VanDerWaalsContact O-N 3.16Å; E548-P794 HydrophobicContact CB-CB 3.76Å; E548-P794 HydrophobicContact CB-CG 3.46Å; E548-P794 VanDerWaalsContact CB-CG 3.46Å; E548-P794 HydrophobicContact CG-CG 4.25Å; E548-P794 WeakPolarHBondContact OE2-CG 3.45Å
549	R	92.4	Very high	93	Very high	48 Å²	48	27.3 Å²	27.3	18%	0.181	13%	0.134	C	C	.	.	H	α-helix	trans	-75.8	-33	175.9	-67.5	-165.6	68	-135.1	-2.6	112.8	L547 Y553 F786 C789 P790 S792 P794	L547-R549 VanDerWaalsContact C-N 3.29Å; L547-R549 PolarHBondContact O-N 3.46Å; L547-R549 VanDerWaalsContact O-N 3.15Å; R549-Y553 PolarHBondContact O-N 2.93Å; R549-F786 HydrophobicContact CB-CE2 4.34Å; R549-F786 VanDerWaalsContact O-CE2 3.32Å; R549-F786 WeakPolarHBondContact O-CE2 3.27Å; R549-C789 PolarHBondContact NH2-O 2.95Å; R549-P790 VanDerWaalsContact CZ-O 3.24Å; R549-P790 PolarHBondContact NH1-O 3.48Å; R549-P790 PolarHBondContact NH2-O 3.17Å; R549-S792 PolarHBondContact NE-O 2.86Å; R549-P794 HydrophobicContact CG-CB 4.47Å
550	L	94.8	Very high	93.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-75.9	-36.4	175.3	-66.3	179.4	0	0	0	111.1	E534 P535 L547 Y553 G554 A649 C653 L656	E534-L550 HydrophobicContact CB-CD1 4.11Å; E534-L550 HydrophobicContact CG-CD1 3.61Å; E534-L550 HydrophobicContact CG-CG 4.35Å; P535-L550 HydrophobicContact CB-CD1 3.94Å; P535-L550 HydrophobicContact CG-CD1 4.31Å; L547-L550 PolarHBondContact O-N 2.9Å; L550-Y553 PolarHBondContact O-N 2.91Å; L550-G554 PolarHBondContact O-N 2.73Å; L550-A649 HydrophobicContact CB-CB 3.88Å; L550-C653 HydrophobicContact CD1-CB 4.08Å; L550-L656 HydrophobicContact CD2-CD2 3.93Å
551	E	96.4	Very high	93.6	Very high	41 Å²	41	22.2 Å²	22.2	19%	0.192	10%	0.098	C	C	.	.	H	α-helix	trans	-51.2	-59.7	168.1	178.1	-163.2	151.5	0	0	109.6	L547 Y553 G554 D555 D645 E648 A649	L547-E551 HydrophobicContact CD1-CB 3.97Å; L547-E551 PolarHBondContact O-N 3.01Å; E551-Y553 VanDerWaalsContact C-N 3.25Å; E551-Y553 PolarHBondContact O-N 2.54Å; E551-Y553 VanDerWaalsContact O-N 3.13Å; E551-G554 CarbonylContact O-C 3.54Å; E551-G554 PolarHBondContact O-N 2.74Å; E551-D555 VanDerWaalsContact O-CB 3.32Å; E551-D555 WeakPolarHBondContact O-CB 3.47Å; E551-D555 PolarHBondContact O-N 2.86Å; E551-D645 HydrophobicContact CG-CB 4.23Å; E551-E648 HydrophobicContact CG-CB 4.41Å; E551-A649 HydrophobicContact CB-CB 4.43Å
552	F	95	Very high	93.9	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	-52.2	-39.8	178.9	173.2	-95	0	0	0	114	E548 F786 L797 T798 R801	E548-F552 PolarHBondContact O-N 3.05Å; E548-F552 VanDerWaalsContact O-N 3.16Å; F552-F786 HydrophobicContact CE1-CB 4.48Å; F552-L797 HydrophobicContact CD1-CB 4.32Å; F552-L797 HydrophobicContact CD1-CD1 4.33Å; F552-L797 HydrophobicContact CD2-CB 4.44Å; F552-L797 HydrophobicContact CE1-CB 4.02Å; F552-L797 HydrophobicContact CE1-CD1 4.46Å; F552-L797 HydrophobicContact CE2-CB 4.15Å; F552-L797 HydrophobicContact CZ-CB 3.93Å; F552-T798 WeakPolarHBondContact CD2-OG1 3.3Å; F552-R801 HydrophobicContact CE2-CB 4.25Å; F552-R801 HydrophobicContact CZ-CB 4.33Å
553	Y	95.1	Very high	94.3	Very high	20 Å²	20	13.9 Å²	13.9	8%	0.078	7%	0.065	C	C	.	.	H	α-helix	trans	-74.5	-42	178.8	-172.5	-138	0	0	0	111.8	R549 L550 E551 S556 F557 L655 L656 N783 F786	R549-Y553 PolarHBondContact O-N 2.93Å; L550-Y553 PolarHBondContact O-N 2.91Å; E551-Y553 VanDerWaalsContact C-N 3.25Å; E551-Y553 PolarHBondContact O-N 2.54Å; E551-Y553 VanDerWaalsContact O-N 3.13Å; Y553-S556 PolarHBondContact O-OG 3.15Å; Y553-F557 PolarHBondContact O-N 2.8Å; Y553-L655 HydrophobicContact CD1-CD2 4.3Å; Y553-L655 HydrophobicContact CE1-CB 4.1Å; Y553-L655 HydrophobicContact CE1-CD2 3.62Å; Y553-L655 HydrophobicContact CE1-CG 3.75Å; Y553-L655 HydrophobicContact CE2-CD2 4.02Å; Y553-L655 VanDerWaalsContact CZ-CD2 3.46Å; Y553-L656 HydrophobicContact CE1-CB 4.26Å; Y553-N783 HydrophobicContact CE2-CB 4.15Å; Y553-N783 WeakPolarHBondContact CE2-OD1 3.37Å; Y553-N783 PolarHBondContact OH-OD1 3.21Å; Y553-F786 HydrophobicContact CD1-CD1 4.39Å; Y553-F786 HydrophobicContact CD1-CE1 4.19Å; Y553-F786 HydrophobicContact CD1-CZ 4.34Å; Y553-F786 HydrophobicContact CD2-CB 4.38Å; Y553-F786 HydrophobicContact CD2-CD1 4.32Å; Y553-F786 HydrophobicContact CD2-CG 4.2Å; Y553-F786 HydrophobicContact CE1-CE1 4.49Å; Y553-F786 HydrophobicContact CG-CD1 4.23Å; Y553-F786 HydrophobicContact CG-CD2 4.26Å; Y553-F786 HydrophobicContact CG-CE1 4.4Å; Y553-F786 HydrophobicContact CG-CE2 4.42Å; Y553-F786 HydrophobicContact CG-CG 4.17Å; Y553-F786 HydrophobicContact CG-CZ 4.49Å
554	G	97.3	Very high	94.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.9	-48.5	178.4	0	0	0	0	0	113.8	L550 E551 S556 F557 L558 E648	L550-G554 PolarHBondContact O-N 2.73Å; E551-G554 CarbonylContact O-C 3.54Å; E551-G554 PolarHBondContact O-N 2.74Å; G554-S556 VanDerWaalsContact C-N 3.31Å; G554-S556 PolarHBondContact O-N 2.97Å; G554-F557 PolarHBondContact O-N 3.15Å; G554-L558 WeakPolarHBondContact O-CB 3.38Å; G554-L558 PolarHBondContact O-N 2.97Å; G554-E648 WeakPolarHBondContact CA-O 3.29Å
555	D	96.7	Very high	94.8	Very high	26 Å²	26	13.7 Å²	13.7	14%	0.139	6%	0.064	C	C	.	.	H	α-helix	trans	-43.3	-57	169.1	158.9	50.6	0	0	0	110.4	E551 F557 L558 H559 R801	E551-D555 VanDerWaalsContact O-CB 3.32Å; E551-D555 WeakPolarHBondContact O-CB 3.47Å; E551-D555 PolarHBondContact O-N 2.86Å; D555-F557 PolarHBondContact O-N 2.86Å; D555-F557 VanDerWaalsContact O-N 3.16Å; D555-L558 PolarHBondContact O-N 3.05Å; D555-H559 WeakPolarHBondContact O-CB 3.32Å; D555-H559 PolarHBondContact O-N 3.08Å; D555-H559 IonicContact OD1-CD2 3.91Å; D555-H559 PolarHBondContact OD1-CD2 2.95Å; D555-H559 IonicContact OD1-CG 3.2Å; D555-H559 IonicContact OD1-NE2 2.67Å; D555-R801 IonicContact OD2-CZ 2.67Å; D555-R801 VanDerWaalsContact OD2-CZ 3.31Å; D555-R801 IonicContact OD2-NH1 2.96Å; D555-R801 PolarHBondContact OD2-NH1 2.87Å; D555-R801 IonicContact OD2-NH2 3.45Å; D555-R801 PolarHBondContact OD2-NH2 3.38Å
556	S	96	Very high	95	Very high	5 Å²	5	13.4 Å²	13.4	4%	0.035	6%	0.062	C	C	.	.	H	α-helix	trans	-59.6	-34	-176.8	84.9	0	0	0	0	113.4	Y553 G554 F560 H779 S782	Y553-S556 PolarHBondContact O-OG 3.15Å; G554-S556 VanDerWaalsContact C-N 3.31Å; G554-S556 PolarHBondContact O-N 2.97Å; S556-F560 WeakPolarHBondContact O-CB 3.48Å; S556-F560 PolarHBondContact O-N 2.65Å; S556-H779 PolarHBondContact O-ND1 3.08Å; S556-H779 PolarHBondContact OG-ND1 2.73Å; S556-S782 WeakPolarHBondContact CB-OG 3.39Å
557	F	96.6	Very high	95	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-83	-40.2	179.9	-177.8	-109.7	0	0	0	111.8	Y553 G554 D555 F560 I561 I651 L655 L660 A663 L667 W692 H779	Y553-F557 PolarHBondContact O-N 2.8Å; G554-F557 PolarHBondContact O-N 3.15Å; D555-F557 PolarHBondContact O-N 2.86Å; D555-F557 VanDerWaalsContact O-N 3.16Å; F557-F560 HydrophobicContact CD2-CD1 4.33Å; F557-F560 HydrophobicContact CE2-CD1 4.45Å; F557-F560 PolarHBondContact O-N 2.87Å; F557-I561 HydrophobicContact CD1-CG1 4.3Å; F557-I561 HydrophobicContact CD2-CG1 4.2Å; F557-I561 HydrophobicContact CE1-CG1 3.84Å; F557-I561 HydrophobicContact CE2-CD1 3.76Å; F557-I561 HydrophobicContact CE2-CG1 3.72Å; F557-I561 HydrophobicContact CG-CG1 4.46Å; F557-I561 HydrophobicContact CZ-CD1 3.82Å; F557-I561 HydrophobicContact CZ-CG1 3.52Å; F557-I561 WeakPolarHBondContact O-CG1 3.43Å; F557-I561 PolarHBondContact O-N 3.06Å; F557-I651 HydrophobicContact CD1-CG2 3.81Å; F557-L655 HydrophobicContact CB-CD2 3.82Å; F557-L655 HydrophobicContact CD1-CD2 4.1Å; F557-L655 HydrophobicContact CD2-CD2 3.92Å; F557-L655 HydrophobicContact CE2-CD1 4.5Å; F557-L655 HydrophobicContact CG-CD2 3.67Å; F557-L660 HydrophobicContact CE2-CD1 3.7Å; F557-L660 HydrophobicContact CZ-CD1 3.4Å; F557-L660 VanDerWaalsContact CZ-CD1 3.4Å; F557-A663 HydrophobicContact CD1-CB 4.42Å; F557-A663 HydrophobicContact CE1-CB 3.82Å; F557-L667 HydrophobicContact CD1-CD1 4.05Å; F557-L667 HydrophobicContact CE1-CD1 3.63Å; F557-L667 HydrophobicContact CZ-CD1 4.48Å; F557-W692 HydrophobicContact CE2-CH2 4.06Å; F557-H779 AromaticContact CD2-CE1 3.76Å; F557-H779 AromaticContact CD2-NE2 3.99Å
558	L	97.5	Very high	94.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.4	-51.5	173.9	171.1	60.3	0	0	0	110.5	G554 D555 F560 I561 A562 V587 L592 E648 I651 L667 I672	G554-L558 WeakPolarHBondContact O-CB 3.38Å; G554-L558 PolarHBondContact O-N 2.97Å; D555-L558 PolarHBondContact O-N 3.05Å; L558-F560 VanDerWaalsContact C-N 3.34Å; L558-F560 PolarHBondContact O-N 2.84Å; L558-I561 PolarHBondContact O-N 3.45Å; L558-A562 VanDerWaalsContact O-CB 3.25Å; L558-A562 WeakPolarHBondContact O-CB 3.28Å; L558-A562 PolarHBondContact O-N 2.72Å; L558-V587 HydrophobicContact CD1-CG1 4.15Å; L558-V587 HydrophobicContact CD2-CB 4.35Å; L558-V587 HydrophobicContact CD2-CG1 4.37Å; L558-V587 HydrophobicContact CG-CB 4.39Å; L558-V587 HydrophobicContact CG-CG1 3.9Å; L558-L592 HydrophobicContact CD2-CD1 3.75Å; L558-L592 HydrophobicContact CD2-CD2 4.11Å; L558-E648 HydrophobicContact CD2-CG 4.02Å; L558-I651 HydrophobicContact CB-CD1 4.4Å; L558-I651 HydrophobicContact CD1-CD1 4.36Å; L558-I651 HydrophobicContact CD2-CD1 4.36Å; L558-L667 HydrophobicContact CD1-CD2 3.71Å; L558-I672 HydrophobicContact CD1-CD1 3.86Å; L558-I672 HydrophobicContact CD1-CG2 3.92Å
559	H	96.4	Very high	94.5	Very high	58 Å²	58	14.4 Å²	14.4	27%	0.269	7%	0.07	S	C	.	.	H	α-helix	trans	-57.2	-46	176	-89.5	-118.9	0	0	0	111.7	D555 A562 T563 V587	D555-H559 WeakPolarHBondContact O-CB 3.32Å; D555-H559 PolarHBondContact O-N 3.08Å; D555-H559 IonicContact OD1-CD2 3.91Å; D555-H559 PolarHBondContact OD1-CD2 2.95Å; D555-H559 IonicContact OD1-CG 3.2Å; D555-H559 IonicContact OD1-NE2 2.67Å; H559-A562 PolarHBondContact O-N 2.98Å; H559-T563 WeakPolarHBondContact O-CB 3.22Å; H559-T563 PolarHBondContact O-N 3.45Å; H559-T563 PolarHBondContact O-OG1 2.99Å; H559-V587 WeakPolarHBondContact NE2-CG2 3.06Å
560	F	96.1	Very high	94.2	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	7%	0.065	C	C	.	.	H	α-helix	trans	-61.7	-47.4	178.3	170.7	-114.7	0	0	0	113.4	S556 F557 L558 T563 L564 W692 I776 H779 F879	S556-F560 WeakPolarHBondContact O-CB 3.48Å; S556-F560 PolarHBondContact O-N 2.65Å; F557-F560 HydrophobicContact CD2-CD1 4.33Å; F557-F560 HydrophobicContact CE2-CD1 4.45Å; F557-F560 PolarHBondContact O-N 2.87Å; L558-F560 VanDerWaalsContact C-N 3.34Å; L558-F560 PolarHBondContact O-N 2.84Å; F560-T563 PolarHBondContact O-N 3.29Å; F560-L564 HydrophobicContact CD1-CD1 4.41Å; F560-L564 HydrophobicContact CD2-CD1 4.37Å; F560-L564 HydrophobicContact CD2-CG 4.46Å; F560-L564 HydrophobicContact CE1-CD1 3.83Å; F560-L564 HydrophobicContact CE2-CD1 3.78Å; F560-L564 HydrophobicContact CE2-CD2 4.43Å; F560-L564 HydrophobicContact CE2-CG 4.07Å; F560-L564 HydrophobicContact CZ-CD1 3.48Å; F560-L564 VanDerWaalsContact CZ-CD1 3.48Å; F560-L564 HydrophobicContact CZ-CG 4.28Å; F560-L564 WeakPolarHBondContact O-CG 3.38Å; F560-L564 PolarHBondContact O-N 3.17Å; F560-W692 AromaticContact CE1-CD2 3.94Å; F560-W692 HydrophobicContact CE1-CD2 3.94Å; F560-W692 AromaticContact CE1-CE2 3.64Å; F560-W692 HydrophobicContact CE1-CE3 4.23Å; F560-W692 AromaticContact CE1-CH2 3.95Å; F560-W692 HydrophobicContact CE1-CH2 3.95Å; F560-W692 AromaticContact CE1-CZ2 3.66Å; F560-W692 HydrophobicContact CE1-CZ2 3.66Å; F560-W692 HydrophobicContact CE1-CZ3 4.25Å; F560-W692 AromaticContact CZ-CD2 3.96Å; F560-W692 HydrophobicContact CZ-CD2 3.96Å; F560-W692 AromaticContact CZ-CE2 3.77Å; F560-W692 HydrophobicContact CZ-CG 4.15Å; F560-W692 HydrophobicContact CZ-CZ2 4.24Å; F560-W692 AromaticContact CZ-NE1 3.83Å; F560-I776 HydrophobicContact CD2-CG1 4.32Å; F560-I776 HydrophobicContact CE2-CG1 3.94Å; F560-H779 HydrophobicContact CB-CB 3.82Å; F560-H779 AromaticContact CD1-CD2 3.69Å; F560-H779 HydrophobicContact CG-CB 4.14Å; F560-H779 AromaticContact CG-CD2 3.89Å; F560-F879 HydrophobicContact CE2-CE1 4.35Å; F560-F879 HydrophobicContact CE2-CZ 4.08Å; F560-F879 HydrophobicContact CZ-CE1 4.47Å; F560-F879 AromaticContact CZ-CZ 3.95Å; F560-F879 HydrophobicContact CZ-CZ 3.95Å
561	I	95.2	Very high	93.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-40.7	178.7	-61	-51.5	0	0	0	111.5	F557 L558 T563 L564 C565 F664 L667 C673 W692	F557-I561 HydrophobicContact CD1-CG1 4.3Å; F557-I561 HydrophobicContact CD2-CG1 4.2Å; F557-I561 HydrophobicContact CE1-CG1 3.84Å; F557-I561 HydrophobicContact CE2-CD1 3.76Å; F557-I561 HydrophobicContact CE2-CG1 3.72Å; F557-I561 HydrophobicContact CG-CG1 4.46Å; F557-I561 HydrophobicContact CZ-CD1 3.82Å; F557-I561 HydrophobicContact CZ-CG1 3.52Å; F557-I561 WeakPolarHBondContact O-CG1 3.43Å; F557-I561 PolarHBondContact O-N 3.06Å; L558-I561 PolarHBondContact O-N 3.45Å; I561-T563 PolarHBondContact O-N 3.06Å; I561-L564 HydrophobicContact CD1-CD1 4.24Å; I561-L564 PolarHBondContact O-N 3.05Å; I561-C565 PolarHBondContact O-N 2.92Å; I561-C565 PolarHBondContact O-SG 3.02Å; I561-F664 HydrophobicContact CD1-CD2 4.3Å; I561-F664 HydrophobicContact CD1-CE2 4.06Å; I561-F664 HydrophobicContact CG2-CE2 4.05Å; I561-L667 HydrophobicContact CB-CD1 3.8Å; I561-L667 HydrophobicContact CG1-CD1 3.8Å; I561-L667 HydrophobicContact CG2-CD1 3.82Å; I561-C673 HydrophobicContact CG2-CB 4.28Å; I561-W692 HydrophobicContact CD1-CE3 3.99Å; I561-W692 HydrophobicContact CD1-CH2 4.12Å; I561-W692 HydrophobicContact CD1-CZ3 3.51Å
562	A	95.7	Very high	93	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-43.8	175.2	0	0	0	0	0	111.4	L558 H559 L564 C565 V566 R583 V587 I672	L558-A562 VanDerWaalsContact O-CB 3.25Å; L558-A562 WeakPolarHBondContact O-CB 3.28Å; L558-A562 PolarHBondContact O-N 2.72Å; H559-A562 PolarHBondContact O-N 2.98Å; A562-L564 PolarHBondContact O-N 3.09Å; A562-C565 PolarHBondContact O-N 2.92Å; A562-V566 WeakPolarHBondContact O-CB 3.24Å; A562-V566 VanDerWaalsContact O-CG2 3.3Å; A562-V566 WeakPolarHBondContact O-CG2 3.09Å; A562-V566 PolarHBondContact O-N 3.43Å; A562-R583 HydrophobicContact CB-CG 4.4Å; A562-V587 HydrophobicContact CB-CG1 3.49Å; A562-V587 VanDerWaalsContact CB-CG1 3.49Å; A562-I672 HydrophobicContact CB-CG2 4.5Å
563	T	95.8	Very high	92.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-47	173.6	-64.1	0	0	0	0	111.7	H559 F560 I561 C565 V566 Y567 R583 F771 L772 S775	H559-T563 WeakPolarHBondContact O-CB 3.22Å; H559-T563 PolarHBondContact O-N 3.45Å; H559-T563 PolarHBondContact O-OG1 2.99Å; F560-T563 PolarHBondContact O-N 3.29Å; I561-T563 PolarHBondContact O-N 3.06Å; T563-C565 PolarHBondContact O-N 2.9Å; T563-V566 PolarHBondContact O-N 3.01Å; T563-Y567 WeakPolarHBondContact O-CB 3.46Å; T563-Y567 PolarHBondContact O-N 3.02Å; T563-R583 WeakPolarHBondContact OG1-CD 3.35Å; T563-F771 HydrophobicContact CG2-CD1 3.94Å; T563-F771 HydrophobicContact CG2-CE1 3.55Å; T563-F771 HydrophobicContact CG2-CE2 4.49Å; T563-F771 HydrophobicContact CG2-CZ 3.85Å; T563-L772 HydrophobicContact CG2-CD1 4.16Å; T563-S775 WeakPolarHBondContact OG1-CB 3.47Å; T563-S775 PolarHBondContact OG1-OG 3.49Å
564	L	94.1	Very high	92	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-43.6	176.6	-73	174.8	0	0	0	112.4	F560 I561 A562 Y567 G568 W692 F695 L696 L772 F879	F560-L564 HydrophobicContact CD1-CD1 4.41Å; F560-L564 HydrophobicContact CD2-CD1 4.37Å; F560-L564 HydrophobicContact CD2-CG 4.46Å; F560-L564 HydrophobicContact CE1-CD1 3.83Å; F560-L564 HydrophobicContact CE2-CD1 3.78Å; F560-L564 HydrophobicContact CE2-CD2 4.43Å; F560-L564 HydrophobicContact CE2-CG 4.07Å; F560-L564 HydrophobicContact CZ-CD1 3.48Å; F560-L564 VanDerWaalsContact CZ-CD1 3.48Å; F560-L564 HydrophobicContact CZ-CG 4.28Å; F560-L564 WeakPolarHBondContact O-CG 3.38Å; F560-L564 PolarHBondContact O-N 3.17Å; I561-L564 HydrophobicContact CD1-CD1 4.24Å; I561-L564 PolarHBondContact O-N 3.05Å; A562-L564 PolarHBondContact O-N 3.09Å; L564-Y567 PolarHBondContact O-N 3.27Å; L564-G568 PolarHBondContact O-N 3.44Å; L564-W692 HydrophobicContact CD1-CB 3.88Å; L564-W692 HydrophobicContact CD1-CD2 4.04Å; L564-W692 HydrophobicContact CD1-CE3 4.05Å; L564-W692 HydrophobicContact CD1-CG 3.98Å; L564-F695 HydrophobicContact CB-CB 4.09Å; L564-F695 HydrophobicContact CB-CD2 4.39Å; L564-F695 HydrophobicContact CB-CG 4.17Å; L564-L696 HydrophobicContact CD2-CD2 4.01Å; L564-L772 HydrophobicContact CD2-CD1 3.84Å; L564-F879 HydrophobicContact CD2-CE1 4.09Å
565	C	92.5	Very high	91.6	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-44.9	178.9	-65	0	0	0	0	111.2	I561 A562 T563 G568 T569	I561-C565 PolarHBondContact O-N 2.92Å; I561-C565 PolarHBondContact O-SG 3.02Å; A562-C565 PolarHBondContact O-N 2.92Å; T563-C565 PolarHBondContact O-N 2.9Å; C565-G568 PolarHBondContact O-N 3.39Å; C565-T569 WeakPolarHBondContact O-CB 3.5Å; C565-T569 VanDerWaalsContact O-CG2 3.28Å; C565-T569 WeakPolarHBondContact O-CG2 3.49Å; C565-T569 PolarHBondContact O-N 2.91Å; C565-T569 VanDerWaalsContact O-N 3.15Å; C565-T569 PolarHBondContact O-OG1 3.01Å
566	V	93.3	Very high	91.4	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-66.1	-44.6	177.2	172.5	0	0	0	0	111	A562 T563 G568 T569 N570 L579 K582 L586 F771	A562-V566 WeakPolarHBondContact O-CB 3.24Å; A562-V566 VanDerWaalsContact O-CG2 3.3Å; A562-V566 WeakPolarHBondContact O-CG2 3.09Å; A562-V566 PolarHBondContact O-N 3.43Å; T563-V566 PolarHBondContact O-N 3.01Å; V566-G568 VanDerWaalsContact C-N 3.33Å; V566-G568 PolarHBondContact O-N 3.37Å; V566-T569 PolarHBondContact O-N 3.5Å; V566-T569 PolarHBondContact O-OG1 2.99Å; V566-N570 WeakPolarHBondContact O-CB 3.37Å; V566-N570 PolarHBondContact O-N 2.92Å; V566-N570 PolarHBondContact O-ND2 3.12Å; V566-L579 HydrophobicContact CG1-CB 3.38Å; V566-L579 HydrophobicContact CG1-CD2 4.04Å; V566-L579 HydrophobicContact CG1-CG 4.37Å; V566-K582 HydrophobicContact CG1-CB 3.99Å; V566-K582 HydrophobicContact CG2-CB 4.26Å; V566-L586 HydrophobicContact CG2-CD1 3.79Å; V566-F771 HydrophobicContact CB-CE1 4.49Å; V566-F771 HydrophobicContact CB-CZ 4.26Å; V566-F771 HydrophobicContact CG1-CE1 4.23Å; V566-F771 HydrophobicContact CG1-CZ 3.98Å
567	Y	92.2	Very high	91.2	Very high	24 Å²	24	29.4 Å²	29.4	9%	0.094	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-37.5	177	-175.9	-85.1	0	0	0	112.6	T563 L564 L696 R768 L772 V880	T563-Y567 WeakPolarHBondContact O-CB 3.46Å; T563-Y567 PolarHBondContact O-N 3.02Å; L564-Y567 PolarHBondContact O-N 3.27Å; Y567-L696 HydrophobicContact CD1-CD2 4.22Å; Y567-L696 HydrophobicContact CE1-CD2 4.23Å; Y567-R768 HydrophobicContact CD2-CG 4.1Å; Y567-R768 HydrophobicContact CE2-CG 3.73Å; Y567-R768 VanDerWaalsContact CE2-NE 3.29Å; Y567-R768 WeakPolarHBondContact CE2-O 3.24Å; Y567-R768 PolarHBondContact O-NH2 3.44Å; Y567-L772 HydrophobicContact CD1-CD2 4.3Å; Y567-L772 HydrophobicContact CD2-CB 3.95Å; Y567-L772 HydrophobicContact CD2-CD2 4.05Å; Y567-L772 HydrophobicContact CD2-CG 4.43Å; Y567-L772 HydrophobicContact CE1-CD2 4.09Å; Y567-L772 HydrophobicContact CE2-CB 4.1Å; Y567-L772 HydrophobicContact CE2-CD2 3.81Å; Y567-L772 HydrophobicContact CG-CD2 4.29Å; Y567-V880 HydrophobicContact CE1-CG2 4.35Å
568	G	88.7	Confident	91	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-76	-26.2	178.8	0	0	0	0	0	114.7	L564 C565 V566 F695 L700	L564-G568 PolarHBondContact O-N 3.44Å; C565-G568 PolarHBondContact O-N 3.39Å; V566-G568 VanDerWaalsContact C-N 3.33Å; V566-G568 PolarHBondContact O-N 3.37Å; G568-F695 WeakPolarHBondContact CA-O 3.48Å; G568-L700 WeakPolarHBondContact O-CD2 3.27Å
569	T	86.3	Confident	90.9	Very high	59 Å²	59	31.5 Å²	31.5	36%	0.362	18%	0.183	S	C	.	.	H	α-helix	trans	-102.4	-12.3	-170.7	52.8	0	0	0	0	115.5	C565 V566 L700	C565-T569 WeakPolarHBondContact O-CB 3.5Å; C565-T569 VanDerWaalsContact O-CG2 3.28Å; C565-T569 WeakPolarHBondContact O-CG2 3.49Å; C565-T569 PolarHBondContact O-N 2.91Å; C565-T569 VanDerWaalsContact O-N 3.15Å; C565-T569 PolarHBondContact O-OG1 3.01Å; V566-T569 PolarHBondContact O-N 3.5Å; V566-T569 PolarHBondContact O-OG1 2.99Å; T569-L700 HydrophobicContact CG2-CD2 3.61Å
570	N	87.6	Confident	90.8	Very high	14 Å²	14	30 Å²	30	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-114.1	134.4	-169.6	-76.3	-82.4	0	0	0	113.4	V566 L579 K582 Y701 R768	V566-N570 WeakPolarHBondContact O-CB 3.37Å; V566-N570 PolarHBondContact O-N 2.92Å; V566-N570 PolarHBondContact O-ND2 3.12Å; N570-L579 HydrophobicContact CB-CD2 3.56Å; N570-K582 WeakPolarHBondContact OD1-CD 3.45Å; N570-K582 WeakPolarHBondContact OD1-CE 3.41Å; N570-K582 PolarHBondContact OD1-NZ 2.91Å; N570-Y701 PolarHBondContact O-OH 3.02Å; N570-R768 PolarHBondContact O-NH1 3.44Å; N570-R768 PolarHBondContact O-NH2 3.14Å
571	P	84.3	Confident	90.8	Very high	67 Å²	67	34 Å²	34	44%	0.435	21%	0.208	S	C	.	.			trans	-42.5	145.6	-170.1	-33.2	36.5	0	0	0	116.3	D573 A574 R768	P571-D573 WeakPolarHBondContact CB-OD1 3.2Å; P571-D573 PolarHBondContact O-N 2.73Å; P571-D573 VanDerWaalsContact O-N 3.09Å; P571-A574 WeakPolarHBondContact O-CB 3.19Å; P571-A574 PolarHBondContact O-N 2.93Å; P571-R768 PolarHBondContact O-NH1 3.34Å
572	Q	80.7	Confident	90.7	Very high	67 Å²	67	38.1 Å²	38.1	31%	0.313	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.2	-175.1	-72.8	-164	-28.3	0	0	114.7
573	D	81.6	Confident	90.7	Very high	127 Å²	127	39.7 Å²	39.7	68%	0.679	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.6	175.7	60.6	-34.8	0	0	0	114.1	P571 D575	P571-D573 WeakPolarHBondContact CB-OD1 3.2Å; P571-D573 PolarHBondContact O-N 2.73Å; P571-D573 VanDerWaalsContact O-N 3.09Å; D573-D575 PolarHBondContact O-N 3.16Å
574	A	87.2	Confident	90.7	Very high	17 Å²	17	41.1 Å²	41.1	14%	0.14	25%	0.246	C	C	.	.			trans	-65.5	128.4	173	0	0	0	0	0	111.4	P571 L579	P571-A574 WeakPolarHBondContact O-CB 3.19Å; P571-A574 PolarHBondContact O-N 2.93Å; A574-L579 HydrophobicContact CB-CD2 3.95Å; A574-L579 HydrophobicContact CB-CG 4.17Å
575	D	88.2	Confident	90.7	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	27%	0.27	S	S	.	.			trans	-80.5	172.2	178.3	64.6	14.2	0	0	0	113.2	D573 G577 C578 L579	D573-D575 PolarHBondContact O-N 3.16Å; D575-G577 VanDerWaalsContact C-N 3.26Å; D575-G577 PolarHBondContact O-N 2.94Å; D575-G577 PolarHBondContact OD1-N 3.49Å; D575-C578 PolarHBondContact O-N 3.45Å; D575-C578 VanDerWaalsContact OD1-CB 3.28Å; D575-C578 WeakPolarHBondContact OD1-CB 3.12Å; D575-C578 PolarHBondContact OD1-N 3.17Å; D575-L579 WeakPolarHBondContact O-CD1 3.45Å; D575-L579 WeakPolarHBondContact O-CG 3.06Å; D575-L579 PolarHBondContact O-N 2.94Å
576	E	92.7	Very high	90.7	Very high	50 Å²	50	46.3 Å²	46.3	23%	0.234	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-38.1	177.1	-177.7	-76.8	138.9	0	0	112.1	L579 S580 Q767 F771	E576-L579 CarbonylContact O-C 3.59Å; E576-L579 WeakPolarHBondContact O-CA 3.32Å; E576-L579 PolarHBondContact O-N 3.36Å; E576-L579 VanDerWaalsContact O-N 3.1Å; E576-S580 WeakPolarHBondContact O-CB 3.22Å; E576-S580 PolarHBondContact O-N 2.95Å; E576-S580 VanDerWaalsContact OE1-CB 3.23Å; E576-S580 WeakPolarHBondContact OE1-CB 3.38Å; E576-S580 PolarHBondContact OE1-OG 2.96Å; E576-Q767 HydrophobicContact CB-CB 4.11Å; E576-F771 HydrophobicContact CG-CB 4.26Å
577	G	92.1	Very high	90.8	Very high	41 Å²	41	46.6 Å²	46.6	42%	0.423	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-45.3	-178.3	0	0	0	0	0	112.9	D575 L579 S581	D575-G577 VanDerWaalsContact C-N 3.26Å; D575-G577 PolarHBondContact O-N 2.94Å; D575-G577 PolarHBondContact OD1-N 3.49Å; G577-L579 VanDerWaalsContact C-N 3.29Å; G577-S581 VanDerWaalsContact O-CB 3.25Å; G577-S581 WeakPolarHBondContact O-CB 3.5Å; G577-S581 PolarHBondContact O-N 3.2Å
578	C	92.8	Very high	90.9	Very high	45 Å²	45	47.5 Å²	47.5	30%	0.304	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-40.4	169.5	-174.8	0	0	0	0	111.1	D575 K582	D575-C578 PolarHBondContact O-N 3.45Å; D575-C578 VanDerWaalsContact OD1-CB 3.28Å; D575-C578 WeakPolarHBondContact OD1-CB 3.12Å; D575-C578 PolarHBondContact OD1-N 3.17Å; C578-K582 WeakPolarHBondContact O-CG 3.3Å; C578-K582 PolarHBondContact O-N 3.18Å; C578-K582 VanDerWaalsContact O-N 3.14Å
579	L	94.8	Very high	91.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-43.6	-71.7	170.3	60.1	69.2	0	0	0	112.7	V566 N570 A574 D575 E576 G577 S581 K582 R583 R768 F771	V566-L579 HydrophobicContact CG1-CB 3.38Å; V566-L579 HydrophobicContact CG1-CD2 4.04Å; V566-L579 HydrophobicContact CG1-CG 4.37Å; N570-L579 HydrophobicContact CB-CD2 3.56Å; A574-L579 HydrophobicContact CB-CD2 3.95Å; A574-L579 HydrophobicContact CB-CG 4.17Å; D575-L579 WeakPolarHBondContact O-CD1 3.45Å; D575-L579 WeakPolarHBondContact O-CG 3.06Å; D575-L579 PolarHBondContact O-N 2.94Å; E576-L579 CarbonylContact O-C 3.59Å; E576-L579 WeakPolarHBondContact O-CA 3.32Å; E576-L579 PolarHBondContact O-N 3.36Å; E576-L579 VanDerWaalsContact O-N 3.1Å; G577-L579 VanDerWaalsContact C-N 3.29Å; L579-S581 PolarHBondContact O-N 3.12Å; L579-K582 PolarHBondContact O-N 3.43Å; L579-R583 PolarHBondContact O-N 3.38Å; L579-R768 HydrophobicContact CD1-CG 4.11Å; L579-F771 VanDerWaalsContact C-CE2 3.45Å; L579-F771 HydrophobicContact CB-CD1 4.4Å; L579-F771 HydrophobicContact CB-CE1 4.01Å; L579-F771 HydrophobicContact CB-CE2 4.26Å; L579-F771 HydrophobicContact CB-CZ 3.94Å; L579-F771 HydrophobicContact CD1-CB 4.33Å; L579-F771 HydrophobicContact CD1-CD1 3.67Å; L579-F771 HydrophobicContact CD1-CE1 4.07Å; L579-F771 HydrophobicContact CD1-CG 3.95Å
580	S	95.5	Very high	91.5	Very high	28 Å²	28	50.4 Å²	50.4	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-33	-176.8	-78.2	0	0	0	0	113	E576 R583 G584	E576-S580 WeakPolarHBondContact O-CB 3.22Å; E576-S580 PolarHBondContact O-N 2.95Å; E576-S580 VanDerWaalsContact OE1-CB 3.23Å; E576-S580 WeakPolarHBondContact OE1-CB 3.38Å; E576-S580 PolarHBondContact OE1-OG 2.96Å; S580-R583 PolarHBondContact OG-NH2 3.05Å; S580-R583 VanDerWaalsContact OG-NH2 3.13Å; S580-G584 PolarHBondContact O-N 3.38Å
581	S	95.2	Very high	91.8	Very high	86 Å²	86	52.1 Å²	52.1	60%	0.601	32%	0.319	S	S	*	.	H	α-helix	trans	-62.3	-46.1	173.4	-178.7	0	0	0	0	111.9	G577 L579 G584 S585	G577-S581 VanDerWaalsContact O-CB 3.25Å; G577-S581 WeakPolarHBondContact O-CB 3.5Å; G577-S581 PolarHBondContact O-N 3.2Å; L579-S581 PolarHBondContact O-N 3.12Å; S581-G584 PolarHBondContact O-N 2.93Å; S581-S585 PolarHBondContact O-N 3.46Å; S581-S585 VanDerWaalsContact O-N 3.08Å
582	K	94.1	Very high	92.3	Very high	85 Å²	85	48.9 Å²	48.9	37%	0.37	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-42.3	178.1	-70.1	-175.9	-176.4	-169.4	0	112.2	V566 N570 C578 L579 G584 S585 L586	V566-K582 HydrophobicContact CG1-CB 3.99Å; V566-K582 HydrophobicContact CG2-CB 4.26Å; N570-K582 WeakPolarHBondContact OD1-CD 3.45Å; N570-K582 WeakPolarHBondContact OD1-CE 3.41Å; N570-K582 PolarHBondContact OD1-NZ 2.91Å; C578-K582 WeakPolarHBondContact O-CG 3.3Å; C578-K582 PolarHBondContact O-N 3.18Å; C578-K582 VanDerWaalsContact O-N 3.14Å; L579-K582 PolarHBondContact O-N 3.43Å; K582-G584 VanDerWaalsContact C-N 3.33Å; K582-G584 PolarHBondContact O-N 2.98Å; K582-S585 PolarHBondContact O-N 3.23Å; K582-S585 PolarHBondContact O-OG 2.56Å; K582-L586 PolarHBondContact O-N 2.67Å
583	R	95.8	Very high	92.9	Very high	33 Å²	33	45.8 Å²	45.8	13%	0.125	28%	0.284	C	S	.	.	H	α-helix	trans	-54.9	-49.8	170.8	179.7	178.4	65.3	172.3	-7.2	110.8	A562 T563 L579 S580 S585 L586 V587 F771 D774 S775	A562-R583 HydrophobicContact CB-CG 4.4Å; T563-R583 WeakPolarHBondContact OG1-CD 3.35Å; L579-R583 PolarHBondContact O-N 3.38Å; S580-R583 PolarHBondContact OG-NH2 3.05Å; S580-R583 VanDerWaalsContact OG-NH2 3.13Å; R583-S585 VanDerWaalsContact C-N 3.28Å; R583-S585 PolarHBondContact O-N 2.71Å; R583-L586 PolarHBondContact O-N 3.45Å; R583-V587 HydrophobicContact CG-CG2 4.45Å; R583-V587 WeakPolarHBondContact O-CG2 3.2Å; R583-V587 PolarHBondContact O-N 3.02Å; R583-V587 VanDerWaalsContact O-N 3.12Å; R583-F771 HydrophobicContact CB-CE2 4Å; R583-F771 HydrophobicContact CB-CZ 4.04Å; R583-D774 IonicContact CZ-OD2 2.69Å; R583-D774 IonicContact NH1-OD2 3.53Å; R583-D774 PolarHBondContact NH1-OD2 2.88Å; R583-D774 IonicContact NH2-OD2 2.69Å; R583-S775 PolarHBondContact NH1-OG 3.33Å
584	G	95	Very high	93.5	Very high	31 Å²	31	42.9 Å²	42.9	32%	0.32	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-38.2	178.8	0	0	0	0	0	113.3	S580 S581 K582 L586 V587 S588	S580-G584 PolarHBondContact O-N 3.38Å; S581-G584 PolarHBondContact O-N 2.93Å; K582-G584 VanDerWaalsContact C-N 3.33Å; K582-G584 PolarHBondContact O-N 2.98Å; G584-L586 VanDerWaalsContact C-N 3.28Å; G584-L586 PolarHBondContact O-N 3.23Å; G584-V587 PolarHBondContact O-N 2.96Å; G584-S588 VanDerWaalsContact O-CB 3.24Å; G584-S588 WeakPolarHBondContact O-CB 3.17Å; G584-S588 PolarHBondContact O-N 3.41Å
585	S	93.5	Very high	93.7	Very high	70 Å²	70	42.1 Å²	42.1	49%	0.49	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-31.4	175.3	72.8	0	0	0	0	113.8	S581 K582 R583	S581-S585 PolarHBondContact O-N 3.46Å; S581-S585 VanDerWaalsContact O-N 3.08Å; K582-S585 PolarHBondContact O-N 3.23Å; K582-S585 PolarHBondContact O-OG 2.56Å; R583-S585 VanDerWaalsContact C-N 3.28Å; R583-S585 PolarHBondContact O-N 2.71Å
586	L	93.1	Very high	93.9	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-86	-23.8	-179.8	-63.4	175.5	0	0	0	114.1	V566 K582 R583 G584 H591	V566-L586 HydrophobicContact CG2-CD1 3.79Å; K582-L586 PolarHBondContact O-N 2.67Å; R583-L586 PolarHBondContact O-N 3.45Å; G584-L586 VanDerWaalsContact C-N 3.28Å; G584-L586 PolarHBondContact O-N 3.23Å; L586-H591 PolarHBondContact O-CD2 3.34Å
587	V	94.8	Very high	93.8	Very high	10 Å²	10	37 Å²	37	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-115.2	0.7	-175.4	-50.9	0	0	0	0	113.8	L558 H559 A562 R583 G584	L558-V587 HydrophobicContact CD1-CG1 4.15Å; L558-V587 HydrophobicContact CD2-CB 4.35Å; L558-V587 HydrophobicContact CD2-CG1 4.37Å; L558-V587 HydrophobicContact CG-CB 4.39Å; L558-V587 HydrophobicContact CG-CG1 3.9Å; H559-V587 WeakPolarHBondContact NE2-CG2 3.06Å; A562-V587 HydrophobicContact CB-CG1 3.49Å; A562-V587 VanDerWaalsContact CB-CG1 3.49Å; R583-V587 HydrophobicContact CG-CG2 4.45Å; R583-V587 WeakPolarHBondContact O-CG2 3.2Å; R583-V587 PolarHBondContact O-N 3.02Å; R583-V587 VanDerWaalsContact O-N 3.12Å; G584-V587 PolarHBondContact O-N 2.96Å
588	S	94.4	Very high	93.6	Very high	43 Å²	43	40.1 Å²	40.1	30%	0.301	24%	0.244	S	C	.	.			trans	-61.3	140.7	178.8	66.1	0	0	0	0	112.3	G584 A590 H591 L592	G584-S588 VanDerWaalsContact O-CB 3.24Å; G584-S588 WeakPolarHBondContact O-CB 3.17Å; G584-S588 PolarHBondContact O-N 3.41Å; S588-A590 PolarHBondContact O-N 2.83Å; S588-H591 PolarHBondContact O-N 3.15Å; S588-H591 WeakPolarHBondContact OG-CB 3.47Å; S588-H591 PolarHBondContact OG-N 3.28Å; S588-L592 PolarHBondContact O-N 2.85Å
589	N	94	Very high	93.4	Very high	64 Å²	64	38 Å²	38	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-56	-27.3	175.4	-53.5	72.3	0	0	0	112.4	C593 A644	N589-C593 WeakPolarHBondContact O-CB 3.3Å; N589-C593 PolarHBondContact O-N 3.32Å; N589-A644 HydrophobicContact CB-CB 3.65Å
590	A	93.1	Very high	93.2	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-50.2	172.7	0	0	0	0	0	111.8	S588 C593 D594	S588-A590 PolarHBondContact O-N 2.83Å; A590-C593 PolarHBondContact O-N 3.01Å; A590-D594 PolarHBondContact O-N 3.49Å
591	H	93.9	Very high	93	Very high	50 Å²	50	40.1 Å²	40.1	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-41.4	178.5	-175.8	53.6	0	0	0	112.4	L586 S588 C593 D594 I595	L586-H591 PolarHBondContact O-CD2 3.34Å; S588-H591 PolarHBondContact O-N 3.15Å; S588-H591 WeakPolarHBondContact OG-CB 3.47Å; S588-H591 PolarHBondContact OG-N 3.28Å; H591-C593 VanDerWaalsContact C-N 3.35Å; H591-D594 PolarHBondContact O-N 3.4Å; H591-I595 WeakPolarHBondContact O-CG1 3.41Å; H591-I595 PolarHBondContact O-N 3.04Å
592	L	96.1	Very high	92.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-34.9	176.6	-58.9	178.4	0	0	0	112.1	L558 S588 I595 A596 A644 V647 E648 I672	L558-L592 HydrophobicContact CD2-CD1 3.75Å; L558-L592 HydrophobicContact CD2-CD2 4.11Å; S588-L592 PolarHBondContact O-N 2.85Å; L592-I595 HydrophobicContact CD2-CD1 4.37Å; L592-A596 WeakPolarHBondContact O-CB 3.09Å; L592-A596 PolarHBondContact O-N 3Å; L592-A644 HydrophobicContact CB-CB 3.68Å; L592-A644 HydrophobicContact CD1-CB 4.19Å; L592-V647 HydrophobicContact CD2-CG1 4.2Å; L592-E648 HydrophobicContact CD1-CG 3.95Å; L592-E648 VanDerWaalsContact CD1-OE1 3.29Å; L592-E648 WeakPolarHBondContact CD1-OE1 3.49Å; L592-I672 HydrophobicContact CD2-CD1 3.93Å
593	C	93.9	Very high	92.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-44.2	171	180	0	0	0	0	112	N589 A590 H591 I595 A596 C597 D640 L643	N589-C593 WeakPolarHBondContact O-CB 3.3Å; N589-C593 PolarHBondContact O-N 3.32Å; A590-C593 PolarHBondContact O-N 3.01Å; H591-C593 VanDerWaalsContact C-N 3.35Å; C593-I595 VanDerWaalsContact C-N 3.33Å; C593-I595 PolarHBondContact O-N 2.9Å; C593-A596 CarbonylContact O-C 3.54Å; C593-A596 PolarHBondContact O-N 3.1Å; C593-A596 VanDerWaalsContact O-N 3.13Å; C593-C597 WeakPolarHBondContact O-CB 3.37Å; C593-C597 PolarHBondContact O-N 3.45Å; C593-C597 PolarHBondContact O-SG 3.48Å; C593-D640 HydrophobicContact CB-CB 4.18Å; C593-D640 WeakPolarHBondContact CB-O 3.31Å; C593-D640 VanDerWaalsContact SG-CA 3.6Å; C593-L643 HydrophobicContact CB-CB 4.47Å
594	D	92.7	Very high	92.7	Very high	66 Å²	66	33.8 Å²	33.8	35%	0.353	20%	0.198	S	C	.	.	H	α-helix	trans	-60.5	-43.6	176.2	-72.4	-30.8	0	0	0	110	R17 A590 H591 A596 C597 D598	R17-D594 IonicContact NH2-OD1 3.85Å; R17-D594 PolarHBondContact NH2-OD1 3.46Å; A590-D594 PolarHBondContact O-N 3.49Å; H591-D594 PolarHBondContact O-N 3.4Å; D594-A596 PolarHBondContact O-N 3Å; D594-C597 PolarHBondContact O-N 2.82Å; D594-D598 WeakPolarHBondContact O-CB 3.47Å; D594-D598 PolarHBondContact O-N 3.38Å
595	I	92.4	Very high	92.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-55.7	-50.3	170	-70.6	163.1	0	0	0	111	F454 H591 L592 C593 C597 D598 L599 F670 I672	F454-I595 HydrophobicContact CE1-CG1 4.33Å; F454-I595 HydrophobicContact CE2-CG1 4.36Å; F454-I595 HydrophobicContact CZ-CG1 3.97Å; H591-I595 WeakPolarHBondContact O-CG1 3.41Å; H591-I595 PolarHBondContact O-N 3.04Å; L592-I595 HydrophobicContact CD2-CD1 4.37Å; C593-I595 VanDerWaalsContact C-N 3.33Å; C593-I595 PolarHBondContact O-N 2.9Å; I595-C597 VanDerWaalsContact C-N 3.26Å; I595-C597 PolarHBondContact O-N 3.14Å; I595-D598 PolarHBondContact O-N 3.09Å; I595-L599 HydrophobicContact CG2-CD1 3.58Å; I595-L599 HydrophobicContact CG2-CG 4.22Å; I595-L599 WeakPolarHBondContact O-CB 3.47Å; I595-L599 WeakPolarHBondContact O-CG 3.25Å; I595-L599 PolarHBondContact O-N 3.42Å; I595-F670 HydrophobicContact CD1-CB 4.23Å; I595-F670 HydrophobicContact CG2-CD1 3.86Å; I595-F670 HydrophobicContact CG2-CE1 4.09Å; I595-F670 HydrophobicContact CG2-CG 4.34Å; I595-I672 HydrophobicContact CD1-CD1 4.19Å; I595-I672 HydrophobicContact CD1-CG1 4.48Å
596	A	92.7	Very high	92.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-30.5	179.4	0	0	0	0	0	113.2	L592 C593 D594 K600 W601 L643 M646 V647	L592-A596 WeakPolarHBondContact O-CB 3.09Å; L592-A596 PolarHBondContact O-N 3Å; C593-A596 CarbonylContact O-C 3.54Å; C593-A596 PolarHBondContact O-N 3.1Å; C593-A596 VanDerWaalsContact O-N 3.13Å; D594-A596 PolarHBondContact O-N 3Å; A596-K600 CarbonylContact O-C 3.41Å; A596-K600 PolarHBondContact O-N 3.35Å; A596-K600 VanDerWaalsContact O-N 3.15Å; A596-W601 PolarHBondContact O-N 3.27Å; A596-L643 HydrophobicContact CB-CB 3.97Å; A596-M646 HydrophobicContact CB-CE 4.43Å; A596-V647 HydrophobicContact CB-CG2 3.91Å
597	C	90.9	Very high	92.5	Very high	21 Å²	21	29 Å²	29	14%	0.142	17%	0.165	C	C	.	.	H	α-helix	trans	-76.5	-47.6	177.3	-69.6	0	0	0	0	112	Y63 C593 D594 I595 L599 K600	Y63-C597 PolarHBondContact OH-SG 2.9Å; C593-C597 WeakPolarHBondContact O-CB 3.37Å; C593-C597 PolarHBondContact O-N 3.45Å; C593-C597 PolarHBondContact O-SG 3.48Å; D594-C597 PolarHBondContact O-N 2.82Å; I595-C597 VanDerWaalsContact C-N 3.26Å; I595-C597 PolarHBondContact O-N 3.14Å; C597-L599 PolarHBondContact O-N 2.76Å; C597-K600 WeakPolarHBondContact O-CA 3.29Å; C597-K600 PolarHBondContact O-N 3.27Å
598	D	87.5	Confident	92.3	Very high	107 Å²	107	31.6 Å²	31.6	57%	0.572	18%	0.176	S	C	*	.	H	α-helix	trans	-59.4	-39.4	174.4	-74.5	-12.7	0	0	0	110.8	D594 I595 K600	D594-D598 WeakPolarHBondContact O-CB 3.47Å; D594-D598 PolarHBondContact O-N 3.38Å; I595-D598 PolarHBondContact O-N 3.09Å; D598-K600 VanDerWaalsContact C-N 3.26Å; D598-K600 PolarHBondContact O-N 2.83Å
599	L	88.2	Confident	92.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.4	175.3	-63	179.9	0	0	0	114.2	I457 I459 I595 C597 W601 Y669 F670	I457-L599 HydrophobicContact CD1-CD2 3.29Å; I459-L599 VanDerWaalsContact CD1-CA 3.43Å; I459-L599 HydrophobicContact CD1-CB 4.14Å; I459-L599 HydrophobicContact CD1-CD2 3.74Å; I459-L599 WeakPolarHBondContact CD1-O 3.47Å; I595-L599 HydrophobicContact CG2-CD1 3.58Å; I595-L599 HydrophobicContact CG2-CG 4.22Å; I595-L599 WeakPolarHBondContact O-CB 3.47Å; I595-L599 WeakPolarHBondContact O-CG 3.25Å; I595-L599 PolarHBondContact O-N 3.42Å; C597-L599 PolarHBondContact O-N 2.76Å; L599-W601 HydrophobicContact CB-CD2 4.03Å; L599-W601 HydrophobicContact CB-CG 3.87Å; L599-W601 HydrophobicContact CD1-CD2 4.03Å; L599-W601 HydrophobicContact CD1-CE3 4.27Å; L599-W601 HydrophobicContact CD1-CH2 3.96Å; L599-W601 HydrophobicContact CD1-CZ2 3.64Å; L599-W601 HydrophobicContact CD1-CZ3 4.25Å; L599-W601 PolarHBondContact O-N 2.92Å; L599-W601 VanDerWaalsContact O-N 3.13Å; L599-Y669 HydrophobicContact CD1-CE1 4.23Å; L599-Y669 HydrophobicContact CD2-CE1 4.03Å; L599-F670 HydrophobicContact CD1-CD1 4.14Å; L599-F670 HydrophobicContact CD1-CE1 3.71Å
600	K	90	Very high	92	Very high	65 Å²	65	28.9 Å²	28.9	28%	0.283	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	26.5	-173.1	-55.6	-173.7	-178.2	175.4	0	115	I459 N460 A596 C597 D598 Y602 E603	I459-K600 HydrophobicContact CG2-CB 4.5Å; I459-K600 HydrophobicContact CG2-CD 4.08Å; I459-K600 HydrophobicContact CG2-CG 4.38Å; N460-K600 PolarHBondContact ND2-NZ 3.49Å; A596-K600 CarbonylContact O-C 3.41Å; A596-K600 PolarHBondContact O-N 3.35Å; A596-K600 VanDerWaalsContact O-N 3.15Å; C597-K600 WeakPolarHBondContact O-CA 3.29Å; C597-K600 PolarHBondContact O-N 3.27Å; D598-K600 VanDerWaalsContact C-N 3.26Å; D598-K600 PolarHBondContact O-N 2.83Å; K600-Y602 HydrophobicContact CB-CE1 4Å; K600-Y602 HydrophobicContact CG-CE1 4.14Å; K600-Y602 PolarHBondContact O-N 3.25Å; K600-Y602 VanDerWaalsContact O-N 3.14Å; K600-E603 HydrophobicContact CB-CG 4.44Å; K600-E603 VanDerWaalsContact O-CB 3.28Å; K600-E603 WeakPolarHBondContact O-CB 3.08Å; K600-E603 WeakPolarHBondContact O-CG 3.25Å; K600-E603 PolarHBondContact O-N 2.87Å
601	W	91.8	Very high	91.8	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.027	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-69.3	-11.5	-177.5	-73.1	1.2	0	0	0	114.1	L444 A596 L599 E603 Y604 C605 M646 V647 L650 L666 F670	L444-W601 HydrophobicContact CD2-CH2 4.07Å; L444-W601 HydrophobicContact CD2-CZ2 3.62Å; A596-W601 PolarHBondContact O-N 3.27Å; L599-W601 HydrophobicContact CB-CD2 4.03Å; L599-W601 HydrophobicContact CB-CG 3.87Å; L599-W601 HydrophobicContact CD1-CD2 4.03Å; L599-W601 HydrophobicContact CD1-CE3 4.27Å; L599-W601 HydrophobicContact CD1-CH2 3.96Å; L599-W601 HydrophobicContact CD1-CZ2 3.64Å; L599-W601 HydrophobicContact CD1-CZ3 4.25Å; L599-W601 PolarHBondContact O-N 2.92Å; L599-W601 VanDerWaalsContact O-N 3.13Å; W601-E603 PolarHBondContact O-N 3.14Å; W601-E603 VanDerWaalsContact O-N 3.16Å; W601-Y604 HydrophobicContact CB-CD2 4.49Å; W601-Y604 AromaticContact CD1-CD2 3.92Å; W601-Y604 HydrophobicContact CG-CD2 4.37Å; W601-Y604 PolarHBondContact O-N 3.3Å; W601-C605 PolarHBondContact O-N 3.12Å; W601-M646 HydrophobicContact CB-CE 3.71Å; W601-M646 WeakPolarHBondContact O-CE 3.28Å; W601-V647 HydrophobicContact CE3-CG2 4.16Å; W601-V647 HydrophobicContact CZ3-CG2 4.33Å; W601-L650 HydrophobicContact CD2-CD1 4.36Å; W601-L650 HydrophobicContact CE3-CD1 3.52Å; W601-L650 HydrophobicContact CH2-CD1 4.19Å; W601-L650 HydrophobicContact CZ3-CD1 3.41Å; W601-L650 VanDerWaalsContact CZ3-CD1 3.41Å; W601-L666 HydrophobicContact CH2-CD1 4.32Å; W601-F670 AromaticContact CH2-CE1 3.48Å; W601-F670 HydrophobicContact CH2-CE1 3.48Å; W601-F670 VanDerWaalsContact CH2-CE1 3.48Å; W601-F670 AromaticContact CH2-CZ 3.45Å; W601-F670 HydrophobicContact CH2-CZ 3.45Å; W601-F670 VanDerWaalsContact CH2-CZ 3.45Å; W601-F670 HydrophobicContact CZ2-CE1 4.28Å; W601-F670 AromaticContact CZ3-CE1 3.87Å; W601-F670 HydrophobicContact CZ3-CE1 3.87Å; W601-F670 AromaticContact CZ3-CZ 3.56Å; W601-F670 HydrophobicContact CZ3-CZ 3.56Å
602	Y	91.8	Very high	91.6	Very high	26 Å²	26	25.4 Å²	25.4	10%	0.102	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-53.9	-26.2	163.1	61.9	-105.7	0	0	0	112.5	Y63 P64 K600 Y604 C605	Y63-Y602 AromaticContact CD1-CD1 3.44Å; Y63-Y602 HydrophobicContact CD1-CD1 3.44Å; Y63-Y602 VanDerWaalsContact CD1-CD1 3.44Å; Y63-Y602 AromaticContact CD1-CD2 3.58Å; Y63-Y602 HydrophobicContact CD1-CD2 3.58Å; Y63-Y602 AromaticContact CD1-CE1 3.89Å; Y63-Y602 HydrophobicContact CD1-CE1 3.89Å; Y63-Y602 HydrophobicContact CD1-CE2 4.04Å; Y63-Y602 AromaticContact CD1-CG 3.28Å; Y63-Y602 HydrophobicContact CD1-CG 3.28Å; Y63-Y602 AromaticContact CE1-CD1 3.58Å; Y63-Y602 HydrophobicContact CE1-CD1 3.58Å; Y63-Y602 HydrophobicContact CE1-CE1 4.11Å; Y63-Y602 AromaticContact CE1-CG 3.83Å; Y63-Y602 HydrophobicContact CE1-CG 3.83Å; Y63-Y602 HydrophobicContact CG-CD1 4.38Å; Y63-Y602 AromaticContact CG-CD2 3.92Å; Y63-Y602 HydrophobicContact CG-CD2 3.92Å; Y63-Y602 AromaticContact CG-CG 3.8Å; Y63-Y602 HydrophobicContact CG-CG 3.8Å; P64-Y602 HydrophobicContact CG-CE2 4.2Å; K600-Y602 HydrophobicContact CB-CE1 4Å; K600-Y602 HydrophobicContact CG-CE1 4.14Å; K600-Y602 PolarHBondContact O-N 3.25Å; K600-Y602 VanDerWaalsContact O-N 3.14Å; Y602-Y604 PolarHBondContact O-N 3.01Å; Y602-C605 PolarHBondContact O-N 3.45Å
603	E	91.8	Very high	91.1	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.154	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.1	-18.8	173.8	-65.4	-175	-165.4	0	0	113.2	P66 K600 W601	P66-E603 HydrophobicContact CB-CB 3.96Å; P66-E603 WeakPolarHBondContact CB-O 3.45Å; P66-E603 WeakPolarHBondContact CG-O 3.41Å; K600-E603 HydrophobicContact CB-CG 4.44Å; K600-E603 VanDerWaalsContact O-CB 3.28Å; K600-E603 WeakPolarHBondContact O-CB 3.08Å; K600-E603 WeakPolarHBondContact O-CG 3.25Å; K600-E603 PolarHBondContact O-N 2.87Å; W601-E603 PolarHBondContact O-N 3.14Å; W601-E603 VanDerWaalsContact O-N 3.16Å
604	Y	94.2	Very high	90.7	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.047	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12.7	178.1	-58.2	-58.9	0	0	0	112.7	L436 Q439 L440 E443 T536 W601 Y602	L436-Y604 HydrophobicContact CB-CD1 4.05Å; L436-Y604 HydrophobicContact CB-CE1 4.43Å; L436-Y604 HydrophobicContact CD2-CD1 4.04Å; L436-Y604 HydrophobicContact CD2-CE1 3.9Å; Q439-Y604 HydrophobicContact CB-CE1 4.3Å; Q439-Y604 PolarHBondContact NE2-OH 2.98Å; L440-Y604 HydrophobicContact CB-CD1 3.93Å; L440-Y604 HydrophobicContact CB-CD2 4.08Å; L440-Y604 HydrophobicContact CB-CE1 3.91Å; L440-Y604 HydrophobicContact CB-CE2 4.05Å; L440-Y604 HydrophobicContact CB-CG 4.03Å; L440-Y604 HydrophobicContact CD1-CD2 3.69Å; L440-Y604 HydrophobicContact CD1-CE2 3.72Å; L440-Y604 HydrophobicContact CD1-CG 4.38Å; L440-Y604 HydrophobicContact CD2-CD2 4.12Å; L440-Y604 HydrophobicContact CD2-CG 4.04Å; L440-Y604 HydrophobicContact CG-CD2 4.16Å; L440-Y604 HydrophobicContact CG-CE2 4.37Å; L440-Y604 HydrophobicContact CG-CG 4.36Å; E443-Y604 PolarHBondContact OE1-OH 3.2Å; E443-Y604 PolarHBondContact OE2-OH 2.8Å; T536-Y604 WeakPolarHBondContact CB-O 3.33Å; W601-Y604 HydrophobicContact CB-CD2 4.49Å; W601-Y604 AromaticContact CD1-CD2 3.92Å; W601-Y604 HydrophobicContact CG-CD2 4.37Å; W601-Y604 PolarHBondContact O-N 3.3Å; Y602-Y604 PolarHBondContact O-N 3.01Å
605	C	94.6	Very high	90.7	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.068	17%	0.168	C	C	.	.			trans	-81.2	127.5	-171.3	-164.2	0	0	0	0	113.3	L538 W601 Y602 L638 M646	L538-C605 WeakPolarHBondContact CD1-SG 3.4Å; W601-C605 PolarHBondContact O-N 3.12Å; Y602-C605 PolarHBondContact O-N 3.45Å; C605-L638 HydrophobicContact CB-CD1 3.95Å; C605-M646 HydrophobicContact CB-CE 4.32Å; C605-M646 HydrophobicContact CB-SD 3.59Å; C605-M646 VanDerWaalsContact CB-SD 3.59Å
606	T	93.5	Very high	90.7	Very high	16 Å²	16	32.6 Å²	32.6	10%	0.098	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-102.6	101.7	174.6	-52.9	0	0	0	0	110.2	Y429 R433 T536 L538 A541	Y429-T606 VanDerWaalsContact OH-CG2 3.23Å; Y429-T606 WeakPolarHBondContact OH-CG2 3.4Å; R433-T606 PolarHBondContact NE-OG1 2.79Å; T536-T606 PolarHBondContact O-N 3.43Å; L538-T606 PolarHBondContact N-O 3.11Å; A541-T606 HydrophobicContact CB-CG2 3.9Å
607	G	90.2	Very high	90.8	Very high	17 Å²	17	33.3 Å²	33.3	18%	0.175	18%	0.176	C	C	.	.			trans	-97.3	-19.5	-171.6	0	0	0	0	0	117.9	G540	G540-G607 CarbonylContact C-O 3.53Å; G540-G607 VanDerWaalsContact C-O 3.29Å; G540-G607 WeakPolarHBondContact CA-O 3.39Å
608	Q	90.1	Very high	91	Very high	63 Å²	63	32.4 Å²	32.4	29%	0.294	17%	0.17	S	C	.	.	S	Bend	trans	-143.3	151.8	-166.8	67.2	-171.3	10	0	0	112.7	G540 F610 H615	G540-Q608 CarbonylContact O-C 3.47Å; G540-Q608 WeakPolarHBondContact O-CA 3.47Å; Q608-F610 PolarHBondContact O-N 2.81Å; Q608-H615 PolarHBondContact NE2-CD2 3.36Å; Q608-H615 PolarHBondContact NE2-NE2 3.13Å
609	T	90.3	Very high	91.5	Very high	32 Å²	32	27.3 Å²	27.3	20%	0.196	14%	0.143	C	C	.	.			trans	-63.2	119.2	176.1	-56.6	0	0	0	0	111.3	Q386 G540 A541 R542 S611	Q386-T609 HydrophobicContact CG-CG2 3.94Å; G540-T609 PolarHBondContact O-N 3.25Å; G540-T609 VanDerWaalsContact O-N 3.16Å; G540-T609 PolarHBondContact O-OG1 3.02Å; A541-T609 VanDerWaalsContact O-CA 3.25Å; A541-T609 WeakPolarHBondContact O-CA 3.29Å; A541-T609 PolarHBondContact O-OG1 3.47Å; R542-T609 WeakPolarHBondContact CD-OG1 3.43Å; T609-S611 PolarHBondContact O-N 3.36Å
610	F	91.6	Very high	91.9	Very high	19 Å²	19	27.3 Å²	27.3	8%	0.083	14%	0.143	C	C	.	.			trans	-67.8	117.5	177.7	-176	-104.5	0	0	0	111.7	N383 T385 P425 Y429 Q608 P612 H615 F616	N383-F610 PolarHBondContact OD1-O 3.29Å; T385-F610 HydrophobicContact CG2-CB 4.31Å; T385-F610 HydrophobicContact CG2-CD1 3.64Å; T385-F610 HydrophobicContact CG2-CE1 4.46Å; T385-F610 HydrophobicContact CG2-CG 4.4Å; T385-F610 PolarHBondContact OG1-O 3.18Å; P425-F610 HydrophobicContact CB-CE1 4.26Å; P425-F610 HydrophobicContact CB-CZ 4.48Å; Y429-F610 HydrophobicContact CD1-CB 3.96Å; Y429-F610 AromaticContact CD1-CD1 3.92Å; Y429-F610 HydrophobicContact CD1-CD1 3.92Å; Y429-F610 HydrophobicContact CD1-CD2 4.44Å; Y429-F610 HydrophobicContact CD1-CE1 4.47Å; Y429-F610 AromaticContact CD1-CG 3.86Å; Y429-F610 HydrophobicContact CD1-CG 3.86Å; Y429-F610 HydrophobicContact CD2-CB 4.15Å; Y429-F610 HydrophobicContact CD2-CD1 4.28Å; Y429-F610 AromaticContact CD2-CD2 3.44Å; Y429-F610 HydrophobicContact CD2-CD2 3.44Å; Y429-F610 VanDerWaalsContact CD2-CD2 3.44Å; Y429-F610 AromaticContact CD2-CE2 3.79Å; Y429-F610 HydrophobicContact CD2-CE2 3.79Å; Y429-F610 AromaticContact CD2-CG 3.71Å; Y429-F610 HydrophobicContact CD2-CG 3.71Å; Y429-F610 HydrophobicContact CD2-CZ 4.31Å; Y429-F610 HydrophobicContact CE1-CB 3.64Å; Y429-F610 HydrophobicContact CE1-CD1 4.47Å; Y429-F610 HydrophobicContact CE1-CG 4.05Å; Y429-F610 HydrophobicContact CE2-CB 3.83Å; Y429-F610 AromaticContact CE2-CD2 3.72Å; Y429-F610 HydrophobicContact CE2-CD2 3.72Å; Y429-F610 HydrophobicContact CE2-CE2 4.48Å; Y429-F610 AromaticContact CE2-CG 3.89Å; Y429-F610 HydrophobicContact CE2-CG 3.89Å; Y429-F610 HydrophobicContact CG-CB 4.21Å; Y429-F610 AromaticContact CG-CD1 3.81Å; Y429-F610 HydrophobicContact CG-CD1 3.81Å; Y429-F610 AromaticContact CG-CD2 3.84Å; Y429-F610 HydrophobicContact CG-CD2 3.84Å; Y429-F610 HydrophobicContact CG-CE1 4.01Å; Y429-F610 HydrophobicContact CG-CE2 4.09Å; Y429-F610 AromaticContact CG-CG 3.68Å; Y429-F610 HydrophobicContact CG-CG 3.68Å; Y429-F610 HydrophobicContact CG-CZ 4.16Å; Q608-F610 PolarHBondContact O-N 2.81Å; F610-P612 HydrophobicContact CD1-CG 4.08Å; F610-P612 HydrophobicContact CE1-CB 4.26Å; F610-P612 HydrophobicContact CE1-CG 3.7Å; F610-H615 HydrophobicContact CD2-CB 3.81Å; F610-H615 HydrophobicContact CE2-CB 3.68Å; F610-F616 HydrophobicContact CZ-CB 4.17Å; F610-F616 HydrophobicContact CZ-CD2 4.3Å
611	S	89.8	Confident	92.2	Very high	22 Å²	22	24.7 Å²	24.7	15%	0.154	13%	0.131	C	C	.	.			trans	-115.7	107.9	175	167.5	0	0	0	0	108.1	T609 P613 E614 H615	T609-S611 PolarHBondContact O-N 3.36Å; S611-P613 VanDerWaalsContact C-CD 3.48Å; S611-E614 WeakPolarHBondContact CB-OE2 3.45Å; S611-E614 PolarHBondContact O-N 3.13Å; S611-E614 VanDerWaalsContact O-N 3.1Å; S611-E614 PolarHBondContact OG-OE2 3.16Å; S611-H615 PolarHBondContact N-ND1 3.04Å; S611-H615 PolarHBondContact O-N 2.78Å; S611-H615 PolarHBondContact O-ND1 2.84Å
612	P	89.8	Confident	92.3	Very high	13 Å²	13	24.6 Å²	24.6	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-54.1	-43	-172.9	-29.3	36.1	0	0	0	115.5	Q382 P425 F610 E614 H615 F616	Q382-P612 WeakPolarHBondContact O-CG 3.38Å; P425-P612 HydrophobicContact CB-CB 3.71Å; P425-P612 HydrophobicContact CB-CG 4.02Å; P425-P612 HydrophobicContact CG-CB 4.17Å; F610-P612 HydrophobicContact CD1-CG 4.08Å; F610-P612 HydrophobicContact CE1-CB 4.26Å; F610-P612 HydrophobicContact CE1-CG 3.7Å; P612-E614 PolarHBondContact O-N 3.36Å; P612-E614 VanDerWaalsContact O-N 3.17Å; P612-H615 PolarHBondContact O-N 3.07Å; P612-F616 HydrophobicContact CB-CB 4.45Å; P612-F616 WeakPolarHBondContact O-CB 3.25Å; P612-F616 PolarHBondContact O-N 3.32Å
613	P	84.2	Confident	92.2	Very high	62 Å²	62	24.2 Å²	24.2	40%	0.403	13%	0.132	S	C	.	.	H	α-helix	trans	-59.7	-30.3	179.5	-24.9	35.7	0	0	0	113.8	R215 S611	R215-P613 PolarHBondContact NH1-O 2.58Å; S611-P613 VanDerWaalsContact C-CD 3.48Å
614	E	87	Confident	91.7	Very high	104 Å²	104	25.5 Å²	25.5	49%	0.486	15%	0.148	S	C	.	.	H	α-helix	trans	-95.1	-29.4	-173.3	-70.4	160.3	168.6	0	0	113.2	S611 P612 R633	S611-E614 WeakPolarHBondContact CB-OE2 3.45Å; S611-E614 PolarHBondContact O-N 3.13Å; S611-E614 VanDerWaalsContact O-N 3.1Å; S611-E614 PolarHBondContact OG-OE2 3.16Å; P612-E614 PolarHBondContact O-N 3.36Å; P612-E614 VanDerWaalsContact O-N 3.17Å; E614-R633 VanDerWaalsContact O-CG 3.27Å; E614-R633 WeakPolarHBondContact O-CG 3.32Å
615	H	91.3	Very high	90.6	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.153	17%	0.17	C	C	.	.	H	α-helix	trans	-121.1	-13.4	-167.4	-54.1	94	0	0	0	114.4	Q608 F610 S611 P612	Q608-H615 PolarHBondContact NE2-CD2 3.36Å; Q608-H615 PolarHBondContact NE2-NE2 3.13Å; F610-H615 HydrophobicContact CD2-CB 3.81Å; F610-H615 HydrophobicContact CE2-CB 3.68Å; S611-H615 PolarHBondContact N-ND1 3.04Å; S611-H615 PolarHBondContact O-N 2.78Å; S611-H615 PolarHBondContact O-ND1 2.84Å; P612-H615 PolarHBondContact O-N 3.07Å
616	F	93.2	Very high	89.1	Confident	21 Å²	21	35.3 Å²	35.3	9%	0.092	20%	0.201	C	C	.	.			trans	-82.7	137.6	-174.3	-176.2	-110.5	0	0	0	112.5	I173 P425 L428 F610 P612 P618	I173-F616 HydrophobicContact CB-CE1 4.39Å; I173-F616 HydrophobicContact CG2-CD1 4.05Å; I173-F616 HydrophobicContact CG2-CE1 3.37Å; I173-F616 HydrophobicContact CG2-CZ 4.03Å; P425-F616 HydrophobicContact CB-CB 4.26Å; P425-F616 HydrophobicContact CB-CD1 4.2Å; P425-F616 HydrophobicContact CB-CD2 3.64Å; P425-F616 HydrophobicContact CB-CE2 3.98Å; P425-F616 HydrophobicContact CB-CG 3.75Å; P425-F616 HydrophobicContact CB-CZ 4.39Å; P425-F616 HydrophobicContact CG-CD1 3.98Å; P425-F616 HydrophobicContact CG-CD2 4.25Å; P425-F616 HydrophobicContact CG-CE1 4.08Å; P425-F616 HydrophobicContact CG-CE2 4.34Å; P425-F616 HydrophobicContact CG-CG 4.06Å; P425-F616 HydrophobicContact CG-CZ 4.25Å; L428-F616 HydrophobicContact CB-CE2 4.32Å; L428-F616 HydrophobicContact CD1-CE2 3.91Å; L428-F616 HydrophobicContact CD1-CZ 3.94Å; F610-F616 HydrophobicContact CZ-CB 4.17Å; F610-F616 HydrophobicContact CZ-CD2 4.3Å; P612-F616 HydrophobicContact CB-CB 4.45Å; P612-F616 WeakPolarHBondContact O-CB 3.25Å; P612-F616 PolarHBondContact O-N 3.32Å; F616-P618 HydrophobicContact CD1-CG 4.46Å; F616-P618 HydrophobicContact CE1-CB 4.2Å; F616-P618 HydrophobicContact CE1-CG 4Å
617	L	94.4	Very high	87.5	Confident	15 Å²	15	38.7 Å²	38.7	8%	0.079	23%	0.231	C	C	.	.			trans	-116	127.9	162.7	-72.1	169.2	0	0	0	108.6	L219 V623 R633 L634	L219-L617 HydrophobicContact CD2-CD2 3.68Å; L617-V623 HydrophobicContact CD2-CG2 4.14Å; L617-R633 HydrophobicContact CD1-CB 4.18Å; L617-R633 HydrophobicContact CD2-CB 4.15Å; L617-R633 HydrophobicContact CG-CB 3.95Å; L617-L634 HydrophobicContact CD1-CD2 3.83Å
618	P	96	Very high	86.4	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.013	25%	0.248	C	C	.	.			trans	-58.7	148.2	170.6	-21.4	32.3	0	0	0	111.7	A170 T174 L219 F616 C620 Y621	A170-P618 HydrophobicContact CB-CB 3.71Å; A170-P618 HydrophobicContact CB-CG 4.24Å; T174-P618 WeakPolarHBondContact OG1-CG 3.47Å; L219-P618 HydrophobicContact CD1-CG 4.17Å; F616-P618 HydrophobicContact CD1-CG 4.46Å; F616-P618 HydrophobicContact CE1-CB 4.2Å; F616-P618 HydrophobicContact CE1-CG 4Å; P618-C620 PolarHBondContact O-N 2.89Å; P618-Y621 HydrophobicContact CB-CD2 3.88Å; P618-Y621 HydrophobicContact CB-CG 4.44Å; P618-Y621 PolarHBondContact O-N 3.16Å; P618-Y621 VanDerWaalsContact O-N 3.08Å
619	P	97.3	Very high	85.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	141.2	172.7	-29.6	38	0	0	0	112.2	H166 I228 S230 V232 L428 Y621	H166-P619 PolarHBondContact CE1-O 3.36Å; H166-P619 PolarHBondContact NE2-O 3.11Å; I228-P619 HydrophobicContact CB-CB 4.48Å; I228-P619 HydrophobicContact CG2-CB 4.2Å; I228-P619 HydrophobicContact CG2-CG 4.21Å; I228-P619 CarbonylContact O-C 3.35Å; I228-P619 VanDerWaalsContact O-CA 3.31Å; I228-P619 WeakPolarHBondContact O-CA 3.39Å; S230-P619 WeakPolarHBondContact O-CB 3.36Å; V232-P619 HydrophobicContact CG2-CB 4.26Å; V232-P619 HydrophobicContact CG2-CG 3.74Å; L428-P619 HydrophobicContact CD1-CG 3.6Å; P619-Y621 VanDerWaalsContact C-N 3.26Å; P619-Y621 VanDerWaalsContact O-CD2 3.28Å; P619-Y621 WeakPolarHBondContact O-CD2 3.38Å; P619-Y621 PolarHBondContact O-N 3.2Å
620	C	97	Very high	85.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	1	-173.5	-53.1	0	0	0	0	116.9	F221 N222 I228 S230 P618	F221-C620 HydrophobicContact CD2-CB 3.89Å; F221-C620 HydrophobicContact CE2-CB 3.34Å; F221-C620 HydrophobicContact CZ-CB 3.89Å; N222-C620 CarbonylContact C-O 3.58Å; N222-C620 PolarHBondContact N-O 2.75Å; I228-C620 PolarHBondContact O-N 2.98Å; S230-C620 PolarHBondContact O-SG 3.31Å; P618-C620 PolarHBondContact O-N 2.89Å
621	Y	95.8	Very high	85.1	Confident	10 Å²	10	45.8 Å²	45.8	4%	0.039	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	157	177.5	-70.1	-101.1	0	0	0	113.9	H167 A170 F216 L219 S220 F221 P618 P619	H167-Y621 AromaticContact ND1-CZ 3.84Å; H167-Y621 PolarHBondContact ND1-OH 3.27Å; A170-Y621 HydrophobicContact CB-CD2 4.1Å; A170-Y621 HydrophobicContact CB-CE2 3.44Å; A170-Y621 VanDerWaalsContact CB-CE2 3.44Å; F216-Y621 HydrophobicContact CE2-CD1 4.32Å; F216-Y621 AromaticContact CE2-CE1 3.78Å; F216-Y621 HydrophobicContact CE2-CE1 3.78Å; F216-Y621 HydrophobicContact CE2-CE2 4.45Å; F216-Y621 AromaticContact CE2-CZ 3.85Å; F216-Y621 AromaticContact CZ-CE1 3.71Å; F216-Y621 HydrophobicContact CZ-CE1 3.71Å; F216-Y621 AromaticContact CZ-CZ 3.67Å; F216-Y621 WeakPolarHBondContact CZ-OH 3.45Å; L219-Y621 HydrophobicContact CB-CD1 3.87Å; S220-Y621 WeakPolarHBondContact O-CA 3.45Å; F221-Y621 HydrophobicContact CB-CD1 4.41Å; F221-Y621 HydrophobicContact CB-CE1 4.12Å; F221-Y621 HydrophobicContact CD2-CD2 4.35Å; F221-Y621 HydrophobicContact CD2-CE1 4.46Å; F221-Y621 AromaticContact CD2-CE2 3.91Å; F221-Y621 HydrophobicContact CD2-CE2 3.91Å; F221-Y621 AromaticContact CD2-CZ 3.99Å; P618-Y621 HydrophobicContact CB-CD2 3.88Å; P618-Y621 HydrophobicContact CB-CG 4.44Å; P618-Y621 PolarHBondContact O-N 3.16Å; P618-Y621 VanDerWaalsContact O-N 3.08Å; P619-Y621 VanDerWaalsContact C-N 3.26Å; P619-Y621 VanDerWaalsContact O-CD2 3.28Å; P619-Y621 WeakPolarHBondContact O-CD2 3.38Å; P619-Y621 PolarHBondContact O-N 3.2Å
622	S	93.2	Very high	85.1	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.6	169	-160.8	0	0	0	0	109.9	S220 A624	S220-S622 PolarHBondContact N-O 2.65Å; S220-S622 PolarHBondContact O-N 3.28Å; S220-S622 PolarHBondContact OG-O 2.82Å; S622-A624 PolarHBondContact O-N 3.14Å
623	V	90.7	Very high	85.2	Confident	17 Å²	17	48.3 Å²	48.3	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.6	179	-173.3	0	0	0	0	109.6	L219 L617 R633 L634	L219-V623 HydrophobicContact CD2-CG2 4.47Å; L617-V623 HydrophobicContact CD2-CG2 4.14Å; V623-R633 HydrophobicContact CG2-CB 4.32Å; V623-L634 HydrophobicContact CB-CD1 3.93Å; V623-L634 HydrophobicContact CG2-CD1 3.85Å; V623-L634 HydrophobicContact CG2-CD2 4.43Å; V623-L634 HydrophobicContact CG2-CG 3.89Å
624	A	82.4	Confident	85.5	Confident	60 Å²	60	47.5 Å²	47.5	50%	0.496	27%	0.266	S	S	.	.	S	Bend	trans	-77.9	-27.4	-173.4	0	0	0	0	0	113.8	D218 S622	D218-A624 WeakPolarHBondContact O-CB 3.49Å; D218-A624 PolarHBondContact O-N 3.35Å; S622-A624 PolarHBondContact O-N 3.14Å
625	S	70.8	Confident	85.7	Confident	72 Å²	72	46.7 Å²	46.7	50%	0.503	26%	0.258	S	S	.	.			trans	-117.3	118.7	-176.8	-176.2	0	0	0	0	111.4	A627	S625-A627 PolarHBondContact O-N 2.95Å; S625-A627 VanDerWaalsContact OG-CB 3.28Å; S625-A627 WeakPolarHBondContact OG-CB 3.23Å; S625-A627 PolarHBondContact OG-N 2.72Å
626	E	63.4	Low	85.7	Confident	156 Å²	156	45.7 Å²	45.7	73%	0.729	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	4	174	-62.8	179.4	178.4	0	0	112.4	K225 C628	K225-E626 IonicContact NZ-OE1 2.8Å; K225-E626 PolarHBondContact NZ-OE1 2.68Å; E626-C628 VanDerWaalsContact C-N 3.26Å; E626-C628 PolarHBondContact O-N 2.88Å
627	A	58.8	Low	85.6	Confident	88 Å²	88	50.7 Å²	50.7	73%	0.727	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.1	-178	0	0	0	0	0	114.3	S625 K629	S625-A627 PolarHBondContact O-N 2.95Å; S625-A627 VanDerWaalsContact OG-CB 3.28Å; S625-A627 WeakPolarHBondContact OG-CB 3.23Å; S625-A627 PolarHBondContact OG-N 2.72Å; A627-K629 PolarHBondContact O-N 2.79Å
628	C	66.3	Low	85.5	Confident	77 Å²	77	50.1 Å²	50.1	52%	0.52	27%	0.27	S	S	.	.	S	Bend	trans	-88	92.9	175	-155.1	0	0	0	0	109.6	E626 Y630 D631	E626-C628 VanDerWaalsContact C-N 3.26Å; E626-C628 PolarHBondContact O-N 2.88Å; C628-Y630 PolarHBondContact O-N 2.99Å; C628-D631 HydrophobicContact CB-CB 4.47Å; C628-D631 PolarHBondContact O-N 2.83Å
629	K	75.1	Confident	85.3	Confident	122 Å²	122	51 Å²	51	53%	0.53	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	109.6	176.8	-148	-174.8	-176.3	-168.6	0	107.8	E16 E18 A627	E16-K629 IonicContact OE2-NZ 3.18Å; E16-K629 PolarHBondContact OE2-NZ 3.36Å; E18-K629 IonicContact OE1-NZ 2.77Å; A627-K629 PolarHBondContact O-N 2.79Å
630	Y	82.8	Confident	85	Confident	69 Å²	69	53.1 Å²	53.1	27%	0.271	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	52.2	-176.6	-38.8	-64.8	0	0	0	117.2	H62 C628 Y635	H62-Y630 HydrophobicContact CB-CD1 3.39Å; H62-Y630 HydrophobicContact CB-CD2 4.34Å; H62-Y630 HydrophobicContact CB-CE1 3.86Å; H62-Y630 HydrophobicContact CB-CG 3.66Å; H62-Y630 AromaticContact CE1-CD2 3.88Å; H62-Y630 AromaticContact CG-CD1 3.81Å; H62-Y630 AromaticContact CG-CD2 3.86Å; H62-Y630 AromaticContact CG-CG 3.51Å; H62-Y630 AromaticContact ND1-CD2 3.46Å; H62-Y630 WeakPolarHBondContact ND1-CD2 3.45Å; H62-Y630 AromaticContact ND1-CE2 3.8Å; H62-Y630 AromaticContact ND1-CG 3.63Å; C628-Y630 PolarHBondContact O-N 2.99Å; Y630-Y635 AromaticContact CD1-CD1 3.99Å; Y630-Y635 HydrophobicContact CD1-CD1 3.99Å; Y630-Y635 HydrophobicContact CD1-CD2 4.42Å; Y630-Y635 HydrophobicContact CD1-CE1 4.2Å; Y630-Y635 HydrophobicContact CD1-CG 4.11Å
631	D	88.7	Confident	84.8	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.059	31%	0.31	C	S	.	.			trans	-53.2	130	168.9	-170.3	-64.6	0	0	0	112.3	C628 R633 L634 Y635	C628-D631 HydrophobicContact CB-CB 4.47Å; C628-D631 PolarHBondContact O-N 2.83Å; D631-R633 PolarHBondContact O-N 2.85Å; D631-R633 VanDerWaalsContact O-N 3.11Å; D631-R633 WeakPolarHBondContact OD1-CB 3.48Å; D631-R633 WeakPolarHBondContact OD1-CG 3.32Å; D631-R633 IonicContact OD1-CZ 3.83Å; D631-R633 PolarHBondContact OD1-N 3.06Å; D631-R633 IonicContact OD1-NE 2.84Å; D631-R633 PolarHBondContact OD1-NE 3.47Å; D631-R633 IonicContact OD1-NH2 2.55Å; D631-R633 IonicContact OD2-CZ 2.97Å; D631-R633 IonicContact OD2-NE 3.71Å; D631-R633 PolarHBondContact OD2-NE 2.86Å; D631-R633 IonicContact OD2-NH2 2.74Å; D631-R633 PolarHBondContact OD2-NH2 3.19Å; D631-L634 CarbonylContact O-C 3.5Å; D631-L634 PolarHBondContact O-N 3.34Å; D631-Y635 PolarHBondContact O-N 3.49Å
632	P	89.8	Confident	84.7	Confident	57 Å²	57	58.6 Å²	58.6	37%	0.37	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.9	-175.2	27.7	-36.5	0	0	0	114.8	L634	P632-L634 VanDerWaalsContact C-N 3.34Å
633	R	91.2	Very high	84.8	Confident	31 Å²	31	58.3 Å²	58.3	12%	0.117	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-21.3	170.9	-60.6	172.1	-77.8	-162	-4.3	112.4	D218 E614 L617 V623 D631	D218-R633 IonicContact OD2-CZ 2.9Å; D218-R633 IonicContact OD2-NH1 2.78Å; D218-R633 PolarHBondContact OD2-NH1 2.94Å; D218-R633 IonicContact OD2-NH2 2.6Å; D218-R633 PolarHBondContact OD2-NH2 2.99Å; E614-R633 VanDerWaalsContact O-CG 3.27Å; E614-R633 WeakPolarHBondContact O-CG 3.32Å; L617-R633 HydrophobicContact CD1-CB 4.18Å; L617-R633 HydrophobicContact CD2-CB 4.15Å; L617-R633 HydrophobicContact CG-CB 3.95Å; V623-R633 HydrophobicContact CG2-CB 4.32Å; D631-R633 PolarHBondContact O-N 2.85Å; D631-R633 VanDerWaalsContact O-N 3.11Å; D631-R633 WeakPolarHBondContact OD1-CB 3.48Å; D631-R633 WeakPolarHBondContact OD1-CG 3.32Å; D631-R633 IonicContact OD1-CZ 3.83Å; D631-R633 PolarHBondContact OD1-N 3.06Å; D631-R633 IonicContact OD1-NE 2.84Å; D631-R633 PolarHBondContact OD1-NE 3.47Å; D631-R633 IonicContact OD1-NH2 2.55Å; D631-R633 IonicContact OD2-CZ 2.97Å; D631-R633 IonicContact OD2-NE 3.71Å; D631-R633 PolarHBondContact OD2-NE 2.86Å; D631-R633 IonicContact OD2-NH2 2.74Å; D631-R633 PolarHBondContact OD2-NH2 3.19Å
634	L	90.7	Very high	85.1	Confident	46 Å²	46	57.5 Å²	57.5	24%	0.241	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-21.3	-176.7	-65.4	-179.4	0	0	0	113.5	P64 V65 L617 V623 D631 P632	P64-L634 CarbonylContact C-O 3.5Å; P64-L634 WeakPolarHBondContact CA-O 3.04Å; V65-L634 PolarHBondContact N-O 2.76Å; L617-L634 HydrophobicContact CD1-CD2 3.83Å; V623-L634 HydrophobicContact CB-CD1 3.93Å; V623-L634 HydrophobicContact CG2-CD1 3.85Å; V623-L634 HydrophobicContact CG2-CD2 4.43Å; V623-L634 HydrophobicContact CG2-CG 3.89Å; D631-L634 CarbonylContact O-C 3.5Å; D631-L634 PolarHBondContact O-N 3.34Å; P632-L634 VanDerWaalsContact C-N 3.34Å
635	Y	91.7	Very high	85.8	Confident	86 Å²	86	55.4 Å²	55.4	34%	0.337	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.8	-177.9	-62.5	-93.1	0	0	0	112.3	H62 Y63 Y630 D631	H62-Y635 HydrophobicContact CB-CD1 4.41Å; Y63-Y635 CarbonylContact O-C 3.58Å; Y63-Y635 WeakPolarHBondContact O-CA 3.35Å; Y630-Y635 AromaticContact CD1-CD1 3.99Å; Y630-Y635 HydrophobicContact CD1-CD1 3.99Å; Y630-Y635 HydrophobicContact CD1-CD2 4.42Å; Y630-Y635 HydrophobicContact CD1-CE1 4.2Å; Y630-Y635 HydrophobicContact CD1-CG 4.11Å; D631-Y635 PolarHBondContact O-N 3.49Å
636	T	90.3	Very high	87	Confident	12 Å²	12	52 Å²	52	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147.4	169.1	-174.7	0	0	0	0	109.9	H62 Y63 L638	H62-T636 WeakPolarHBondContact CA-O 3.22Å; Y63-T636 PolarHBondContact N-O 2.89Å; Y63-T636 PolarHBondContact O-N 2.94Å; T636-L638 HydrophobicContact CG2-CD1 4.2Å; T636-L638 HydrophobicContact CG2-CG 4.22Å
637	R	90.4	Very high	88.6	Confident	127 Å²	127	44.6 Å²	44.6	48%	0.479	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.2	-178.3	179.7	173.2	170.2	160.9	0	109.7	Y60	Y60-R637 HydrophobicContact CD1-CG 3.61Å; Y60-R637 HydrophobicContact CE1-CG 4.45Å; Y60-R637 HydrophobicContact CG-CG 4.12Å
638	L	92.2	Very high	90.5	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	167.6	179.4	-58.1	174	0	0	0	110.3	Y60 Q61 Y63 L538 C605 T636 L643	Y60-L638 CarbonylContact C-O 3.49Å; Y60-L638 WeakPolarHBondContact CA-O 3.18Å; Q61-L638 PolarHBondContact N-O 2.99Å; Q61-L638 PolarHBondContact O-N 3Å; Y63-L638 HydrophobicContact CD2-CB 3.84Å; Y63-L638 HydrophobicContact CD2-CD1 4.01Å; Y63-L638 HydrophobicContact CD2-CG 4.19Å; Y63-L638 HydrophobicContact CE2-CB 3.9Å; L538-L638 HydrophobicContact CD1-CD2 3.89Å; C605-L638 HydrophobicContact CB-CD1 3.95Å; T636-L638 HydrophobicContact CG2-CD1 4.2Å; T636-L638 HydrophobicContact CG2-CG 4.22Å; L638-L643 HydrophobicContact CD1-CD2 3.97Å
639	T	92.1	Very high	92	Very high	19 Å²	19	37.3 Å²	37.3	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	155.6	176.9	65.1	0	0	0	0	110.8	V58 Y60 K641 S642 L643	V58-T639 HydrophobicContact CG1-CG2 3.47Å; V58-T639 VanDerWaalsContact CG1-CG2 3.47Å; Y60-T639 HydrophobicContact CD1-CG2 3.28Å; Y60-T639 HydrophobicContact CD2-CG2 4.46Å; Y60-T639 HydrophobicContact CE1-CG2 3.24Å; Y60-T639 HydrophobicContact CE2-CG2 4.43Å; Y60-T639 HydrophobicContact CG-CG2 3.94Å; T639-K641 PolarHBondContact O-N 2.81Å; T639-S642 WeakPolarHBondContact CA-OG 3.08Å; T639-S642 PolarHBondContact N-OG 2.94Å; T639-S642 PolarHBondContact O-N 3Å; T639-S642 VanDerWaalsContact O-N 3.14Å; T639-S642 PolarHBondContact O-OG 3.39Å; T639-S642 WeakPolarHBondContact OG1-CB 3.35Å; T639-S642 PolarHBondContact OG1-N 3.2Å; T639-S642 PolarHBondContact OG1-OG 2.93Å; T639-L643 PolarHBondContact O-N 3.07Å
640	D	90.9	Very high	93	Very high	46 Å²	46	31.5 Å²	31.5	25%	0.246	15%	0.145	C	C	.	.	H	α-helix	trans	-55.7	-41.5	175.1	-53.7	-13	0	0	0	110.9	Q61 C593 L643 A644	Q61-D640 PolarHBondContact NE2-OD1 2.87Å; C593-D640 HydrophobicContact CB-CB 4.18Å; C593-D640 WeakPolarHBondContact CB-O 3.31Å; C593-D640 VanDerWaalsContact SG-CA 3.6Å; D640-L643 PolarHBondContact O-N 3.14Å; D640-A644 PolarHBondContact O-N 3.3Å
641	K	93.1	Very high	93.8	Very high	115 Å²	115	28.2 Å²	28.2	50%	0.5	13%	0.132	S	C	.	.	H	α-helix	trans	-58.3	-55.9	173.9	171.3	159.4	175.8	146	0	111.5	T639 L643 A644 D645	T639-K641 PolarHBondContact O-N 2.81Å; K641-L643 PolarHBondContact O-N 3.42Å; K641-A644 WeakPolarHBondContact O-CA 3.36Å; K641-A644 VanDerWaalsContact O-CB 3.31Å; K641-A644 WeakPolarHBondContact O-CB 3.28Å; K641-A644 PolarHBondContact O-N 2.99Å; K641-D645 WeakPolarHBondContact CE-OD1 3.16Å; K641-D645 WeakPolarHBondContact CE-OD2 3.29Å; K641-D645 VanDerWaalsContact CG-OD1 3.3Å; K641-D645 WeakPolarHBondContact CG-OD1 3.34Å; K641-D645 VanDerWaalsContact CG-OD2 3.23Å; K641-D645 WeakPolarHBondContact CG-OD2 3.35Å; K641-D645 IonicContact NZ-OD1 3.31Å; K641-D645 PolarHBondContact O-N 2.66Å
642	S	93.9	Very high	94.1	Very high	11 Å²	11	27.7 Å²	27.7	8%	0.077	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-23.1	-177	54.9	0	0	0	0	115.2	T639 M646	T639-S642 WeakPolarHBondContact CA-OG 3.08Å; T639-S642 PolarHBondContact N-OG 2.94Å; T639-S642 PolarHBondContact O-N 3Å; T639-S642 VanDerWaalsContact O-N 3.14Å; T639-S642 PolarHBondContact O-OG 3.39Å; T639-S642 WeakPolarHBondContact OG1-CB 3.35Å; T639-S642 PolarHBondContact OG1-N 3.2Å; T639-S642 PolarHBondContact OG1-OG 2.93Å; S642-M646 PolarHBondContact O-N 3.2Å
643	L	95.3	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-79.3	-35.7	172.4	-70.9	179.2	0	0	0	112.2	Y63 C593 A596 L638 T639 D640 K641 M646 V647	Y63-L643 HydrophobicContact CE1-CD1 4.43Å; Y63-L643 HydrophobicContact CE2-CD1 3.99Å; Y63-L643 WeakPolarHBondContact OH-CD1 3.27Å; C593-L643 HydrophobicContact CB-CB 4.47Å; A596-L643 HydrophobicContact CB-CB 3.97Å; L638-L643 HydrophobicContact CD1-CD2 3.97Å; T639-L643 PolarHBondContact O-N 3.07Å; D640-L643 PolarHBondContact O-N 3.14Å; K641-L643 PolarHBondContact O-N 3.42Å; L643-M646 HydrophobicContact CD2-CE 3.81Å; L643-V647 WeakPolarHBondContact O-CG2 3.28Å; L643-V647 PolarHBondContact O-N 2.77Å
644	A	96.4	Very high	94.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-48.6	170.9	0	0	0	0	0	111.9	N589 L592 D640 K641 M646 V647 E648	N589-A644 HydrophobicContact CB-CB 3.65Å; L592-A644 HydrophobicContact CB-CB 3.68Å; L592-A644 HydrophobicContact CD1-CB 4.19Å; D640-A644 PolarHBondContact O-N 3.3Å; K641-A644 WeakPolarHBondContact O-CA 3.36Å; K641-A644 VanDerWaalsContact O-CB 3.31Å; K641-A644 WeakPolarHBondContact O-CB 3.28Å; K641-A644 PolarHBondContact O-N 2.99Å; A644-M646 PolarHBondContact O-N 3.39Å; A644-V647 WeakPolarHBondContact O-CA 3.42Å; A644-V647 WeakPolarHBondContact O-CB 3.39Å; A644-V647 PolarHBondContact O-N 2.88Å; A644-E648 PolarHBondContact O-N 3.41Å
645	D	96.9	Very high	94.8	Very high	15 Å²	15	22.3 Å²	22.3	8%	0.08	10%	0.1	C	C	.	.	H	α-helix	trans	-56.5	-36.7	179	-50.1	-15.7	0	0	0	111	L547 E551 K641 A649	L547-D645 HydrophobicContact CD1-CB 4Å; E551-D645 HydrophobicContact CG-CB 4.23Å; K641-D645 WeakPolarHBondContact CE-OD1 3.16Å; K641-D645 WeakPolarHBondContact CE-OD2 3.29Å; K641-D645 VanDerWaalsContact CG-OD1 3.3Å; K641-D645 WeakPolarHBondContact CG-OD1 3.34Å; K641-D645 VanDerWaalsContact CG-OD2 3.23Å; K641-D645 WeakPolarHBondContact CG-OD2 3.35Å; K641-D645 IonicContact NZ-OD1 3.31Å; K641-D645 PolarHBondContact O-N 2.66Å; D645-A649 VanDerWaalsContact O-CB 3.32Å; D645-A649 WeakPolarHBondContact O-CB 3.23Å; D645-A649 PolarHBondContact O-N 3.34Å
646	M	97.1	Very high	94.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67.4	-38.5	173.1	177.5	-175.6	67.8	0	0	113.5	P535 T536 L547 A596 W601 C605 S642 L643 A644 A649 L650	P535-M646 WeakPolarHBondContact O-CG 3.36Å; T536-M646 HydrophobicContact CG2-SD 4.34Å; L547-M646 HydrophobicContact CD2-CB 4.11Å; A596-M646 HydrophobicContact CB-CE 4.43Å; W601-M646 HydrophobicContact CB-CE 3.71Å; W601-M646 WeakPolarHBondContact O-CE 3.28Å; C605-M646 HydrophobicContact CB-CE 4.32Å; C605-M646 HydrophobicContact CB-SD 3.59Å; C605-M646 VanDerWaalsContact CB-SD 3.59Å; S642-M646 PolarHBondContact O-N 3.2Å; L643-M646 HydrophobicContact CD2-CE 3.81Å; A644-M646 PolarHBondContact O-N 3.39Å; M646-A649 PolarHBondContact O-N 3.43Å; M646-L650 HydrophobicContact CG-CD1 4.29Å; M646-L650 WeakPolarHBondContact O-CB 3.2Å; M646-L650 WeakPolarHBondContact O-CG 3.35Å; M646-L650 PolarHBondContact O-N 2.97Å
647	V	97.2	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.5	-42.6	175.8	171.3	0	0	0	0	110.4	L592 A596 W601 L643 A644 L650 I651 F670	L592-V647 HydrophobicContact CD2-CG1 4.2Å; A596-V647 HydrophobicContact CB-CG2 3.91Å; W601-V647 HydrophobicContact CE3-CG2 4.16Å; W601-V647 HydrophobicContact CZ3-CG2 4.33Å; L643-V647 WeakPolarHBondContact O-CG2 3.28Å; L643-V647 PolarHBondContact O-N 2.77Å; A644-V647 WeakPolarHBondContact O-CA 3.42Å; A644-V647 WeakPolarHBondContact O-CB 3.39Å; A644-V647 PolarHBondContact O-N 2.88Å; V647-L650 PolarHBondContact O-N 3.33Å; V647-I651 HydrophobicContact CG1-CD1 4.17Å; V647-I651 WeakPolarHBondContact O-CG1 3.39Å; V647-I651 PolarHBondContact O-N 3.44Å; V647-F670 HydrophobicContact CG1-CD2 4.45Å; V647-F670 HydrophobicContact CG1-CE2 3.76Å; V647-F670 HydrophobicContact CG1-CZ 4.12Å
648	E	98	Very high	95	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-48.1	173.3	-69.4	167.7	-177.5	0	0	110.9	E551 G554 L558 L592 A644 L650 I651 G652	E551-E648 HydrophobicContact CG-CB 4.41Å; G554-E648 WeakPolarHBondContact CA-O 3.29Å; L558-E648 HydrophobicContact CD2-CG 4.02Å; L592-E648 HydrophobicContact CD1-CG 3.95Å; L592-E648 VanDerWaalsContact CD1-OE1 3.29Å; L592-E648 WeakPolarHBondContact CD1-OE1 3.49Å; A644-E648 PolarHBondContact O-N 3.41Å; E648-L650 VanDerWaalsContact C-N 3.31Å; E648-L650 PolarHBondContact O-N 3.12Å; E648-I651 WeakPolarHBondContact O-CB 3.25Å; E648-I651 PolarHBondContact O-N 3.34Å; E648-I651 VanDerWaalsContact O-N 3.09Å; E648-G652 PolarHBondContact O-N 3.1Å
649	A	97.7	Very high	95	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-35.1	176.1	0	0	0	0	0	113.6	P535 L547 L550 E551 D645 M646 G652 C653	P535-A649 HydrophobicContact CB-CB 3.75Å; P535-A649 WeakPolarHBondContact CB-O 3.42Å; L547-A649 HydrophobicContact CB-CB 3.71Å; L547-A649 HydrophobicContact CD1-CB 4.19Å; L547-A649 HydrophobicContact CG-CB 4.38Å; L550-A649 HydrophobicContact CB-CB 3.88Å; E551-A649 HydrophobicContact CB-CB 4.43Å; D645-A649 VanDerWaalsContact O-CB 3.32Å; D645-A649 WeakPolarHBondContact O-CB 3.23Å; D645-A649 PolarHBondContact O-N 3.34Å; M646-A649 PolarHBondContact O-N 3.43Å; A649-G652 PolarHBondContact O-N 3.34Å; A649-C653 WeakPolarHBondContact O-CB 3.43Å; A649-C653 PolarHBondContact O-N 3.25Å
650	L	97.4	Very high	94.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-41.8	172.5	-77.6	167	0	0	0	111.6	L532 P535 T536 W601 M646 V647 E648 G652 C653 F654	L532-L650 HydrophobicContact CD2-CD2 4.15Å; P535-L650 HydrophobicContact CB-CD2 4.02Å; P535-L650 HydrophobicContact CB-CG 4.12Å; P535-L650 HydrophobicContact CG-CD2 3.73Å; P535-L650 HydrophobicContact CG-CG 4.39Å; T536-L650 HydrophobicContact CG2-CD2 4.46Å; W601-L650 HydrophobicContact CD2-CD1 4.36Å; W601-L650 HydrophobicContact CE3-CD1 3.52Å; W601-L650 HydrophobicContact CH2-CD1 4.19Å; W601-L650 HydrophobicContact CZ3-CD1 3.41Å; W601-L650 VanDerWaalsContact CZ3-CD1 3.41Å; M646-L650 HydrophobicContact CG-CD1 4.29Å; M646-L650 WeakPolarHBondContact O-CB 3.2Å; M646-L650 WeakPolarHBondContact O-CG 3.35Å; M646-L650 PolarHBondContact O-N 2.97Å; V647-L650 PolarHBondContact O-N 3.33Å; E648-L650 VanDerWaalsContact C-N 3.31Å; E648-L650 PolarHBondContact O-N 3.12Å; L650-G652 VanDerWaalsContact C-N 3.34Å; L650-G652 PolarHBondContact O-N 2.65Å; L650-C653 PolarHBondContact O-N 2.92Å; L650-F654 VanDerWaalsContact O-CD2 3.25Å; L650-F654 WeakPolarHBondContact O-CD2 3.45Å; L650-F654 PolarHBondContact O-N 3.44Å
651	I	97.7	Very high	94.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-45.7	172.7	-66	157.8	0	0	0	110.4	F557 L558 V647 E648 C653 F654 L655 L666 L667 F670	F557-I651 HydrophobicContact CD1-CG2 3.81Å; L558-I651 HydrophobicContact CB-CD1 4.4Å; L558-I651 HydrophobicContact CD1-CD1 4.36Å; L558-I651 HydrophobicContact CD2-CD1 4.36Å; V647-I651 HydrophobicContact CG1-CD1 4.17Å; V647-I651 WeakPolarHBondContact O-CG1 3.39Å; V647-I651 PolarHBondContact O-N 3.44Å; E648-I651 WeakPolarHBondContact O-CB 3.25Å; E648-I651 PolarHBondContact O-N 3.34Å; E648-I651 VanDerWaalsContact O-N 3.09Å; I651-C653 PolarHBondContact O-N 2.85Å; I651-F654 PolarHBondContact O-N 2.82Å; I651-L655 WeakPolarHBondContact O-CB 3.07Å; I651-L655 PolarHBondContact O-N 3.28Å; I651-L666 HydrophobicContact CG1-CD2 4.14Å; I651-L667 HydrophobicContact CD1-CD2 3.69Å; I651-L667 HydrophobicContact CG1-CD2 4.12Å; I651-F670 HydrophobicContact CD1-CD2 4.5Å; I651-F670 HydrophobicContact CD1-CE2 4.08Å; I651-F670 HydrophobicContact CG1-CE2 4.02Å
652	G	96.9	Very high	94.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-42.6	175.1	0	0	0	0	0	113.2	E648 A649 L650 L655 L656	E648-G652 PolarHBondContact O-N 3.1Å; A649-G652 PolarHBondContact O-N 3.34Å; L650-G652 VanDerWaalsContact C-N 3.34Å; L650-G652 PolarHBondContact O-N 2.65Å; G652-L655 PolarHBondContact O-N 3.41Å; G652-L656 VanDerWaalsContact O-CB 3.3Å; G652-L656 WeakPolarHBondContact O-CB 3.2Å; G652-L656 PolarHBondContact O-N 3.29Å
653	C	95.9	Very high	94.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.7	-46.8	175.4	-175.1	0	0	0	0	112	N531 P535 L550 A649 L650 I651 L655 L656 R657	N531-C653 PolarHBondContact O-SG 3.25Å; P535-C653 HydrophobicContact CB-CB 4.21Å; P535-C653 HydrophobicContact CG-CB 3.9Å; L550-C653 HydrophobicContact CD1-CB 4.08Å; A649-C653 WeakPolarHBondContact O-CB 3.43Å; A649-C653 PolarHBondContact O-N 3.25Å; L650-C653 PolarHBondContact O-N 2.92Å; I651-C653 PolarHBondContact O-N 2.85Å; C653-L655 VanDerWaalsContact C-N 3.33Å; C653-L655 PolarHBondContact O-N 3.45Å; C653-L656 PolarHBondContact O-N 3.49Å; C653-R657 VanDerWaalsContact O-CB 3.31Å; C653-R657 WeakPolarHBondContact O-CB 3.32Å; C653-R657 VanDerWaalsContact O-CG 3.31Å; C653-R657 WeakPolarHBondContact O-CG 3.17Å; C653-R657 PolarHBondContact O-N 2.92Å
654	F	96	Very high	94.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-45.9	176.7	-91.8	-115.5	0	0	0	111.4	L444 L448 I525 C526 P527 L532 L650 I651 S658 G659 A662 A663 L666	L444-F654 HydrophobicContact CD1-CE2 4.09Å; L444-F654 HydrophobicContact CD1-CZ 3.97Å; L444-F654 HydrophobicContact CD2-CZ 4.33Å; L448-F654 HydrophobicContact CD1-CE1 3.55Å; L448-F654 HydrophobicContact CD1-CZ 3.96Å; I525-F654 VanDerWaalsContact O-CE1 3.32Å; I525-F654 WeakPolarHBondContact O-CE1 3.35Å; C526-F654 HydrophobicContact CB-CE1 4.42Å; C526-F654 HydrophobicContact CB-CZ 4.23Å; P527-F654 HydrophobicContact CG-CD2 3.69Å; P527-F654 HydrophobicContact CG-CE2 3.98Å; P527-F654 HydrophobicContact CG-CG 4.05Å; L532-F654 HydrophobicContact CD2-CE2 4.45Å; L650-F654 VanDerWaalsContact O-CD2 3.25Å; L650-F654 WeakPolarHBondContact O-CD2 3.45Å; L650-F654 PolarHBondContact O-N 3.44Å; I651-F654 PolarHBondContact O-N 2.82Å; F654-S658 CarbonylContact O-C 3.52Å; F654-S658 WeakPolarHBondContact O-CA 3.18Å; F654-S658 PolarHBondContact O-N 3.41Å; F654-G659 PolarHBondContact O-N 2.91Å; F654-A662 HydrophobicContact CD1-CB 3.91Å; F654-A663 HydrophobicContact CB-CB 4.11Å; F654-L666 HydrophobicContact CB-CD2 4.35Å; F654-L666 HydrophobicContact CD1-CB 4.19Å; F654-L666 HydrophobicContact CD1-CD2 4.06Å; F654-L666 HydrophobicContact CD2-CD2 3.88Å; F654-L666 HydrophobicContact CE1-CB 4.42Å; F654-L666 HydrophobicContact CE1-CD1 4.4Å; F654-L666 HydrophobicContact CE1-CD2 4.33Å; F654-L666 HydrophobicContact CE2-CD2 4.14Å; F654-L666 HydrophobicContact CG-CD2 3.83Å; F654-L666 HydrophobicContact CZ-CD1 4.37Å; F654-L666 HydrophobicContact CZ-CD2 4.36Å
655	L	94.5	Very high	94.4	Very high	20 Å²	20	18.8 Å²	18.8	11%	0.105	10%	0.101	C	C	.	.	H	α-helix	trans	-63.3	-42.5	179.1	-176.5	59.9	0	0	0	111.9	Y553 F557 I651 G652 C653 G659 L660 A663	Y553-L655 HydrophobicContact CD1-CD2 4.3Å; Y553-L655 HydrophobicContact CE1-CB 4.1Å; Y553-L655 HydrophobicContact CE1-CD2 3.62Å; Y553-L655 HydrophobicContact CE1-CG 3.75Å; Y553-L655 HydrophobicContact CE2-CD2 4.02Å; Y553-L655 VanDerWaalsContact CZ-CD2 3.46Å; F557-L655 HydrophobicContact CB-CD2 3.82Å; F557-L655 HydrophobicContact CD1-CD2 4.1Å; F557-L655 HydrophobicContact CD2-CD2 3.92Å; F557-L655 HydrophobicContact CE2-CD1 4.5Å; F557-L655 HydrophobicContact CG-CD2 3.67Å; I651-L655 WeakPolarHBondContact O-CB 3.07Å; I651-L655 PolarHBondContact O-N 3.28Å; G652-L655 PolarHBondContact O-N 3.41Å; C653-L655 VanDerWaalsContact C-N 3.33Å; C653-L655 PolarHBondContact O-N 3.45Å; L655-G659 WeakPolarHBondContact O-CA 3.44Å; L655-G659 PolarHBondContact O-N 3.14Å; L655-L660 HydrophobicContact CD1-CB 4.43Å; L655-L660 HydrophobicContact CD1-CD1 4.34Å; L655-A663 HydrophobicContact CB-CB 3.89Å; L655-A663 HydrophobicContact CD1-CB 4.25Å
656	L	93	Very high	94.3	Very high	72 Å²	72	18 Å²	18	38%	0.377	10%	0.097	S	C	.	.	H	α-helix	trans	-72.6	-40.4	-179.3	-178.2	61.3	0	0	0	113.6	L550 Y553 G652 C653 F786	L550-L656 HydrophobicContact CD2-CD2 3.93Å; Y553-L656 HydrophobicContact CE1-CB 4.26Å; G652-L656 VanDerWaalsContact O-CB 3.3Å; G652-L656 WeakPolarHBondContact O-CB 3.2Å; G652-L656 PolarHBondContact O-N 3.29Å; C653-L656 PolarHBondContact O-N 3.49Å; L656-F786 HydrophobicContact CD1-CE1 4.11Å; L656-F786 HydrophobicContact CD2-CE1 4.32Å; L656-F786 HydrophobicContact CD2-CZ 4.13Å
657	R	92.3	Very high	94.1	Very high	104 Å²	104	18 Å²	18	39%	0.392	10%	0.097	S	C	.	.	H	α-helix	trans	-102.6	-37.4	-167.2	-54.5	-65	-174.9	173.8	3.3	113.8	P527 N531 E534 C653	P527-R657 HydrophobicContact CB-CB 4Å; P527-R657 HydrophobicContact CG-CB 4.17Å; N531-R657 HydrophobicContact CB-CG 3.98Å; N531-R657 WeakPolarHBondContact OD1-CD 3.31Å; N531-R657 PolarHBondContact OD1-NE 2.99Å; E534-R657 IonicContact OE2-NH2 3.84Å; C653-R657 VanDerWaalsContact O-CB 3.31Å; C653-R657 WeakPolarHBondContact O-CB 3.32Å; C653-R657 VanDerWaalsContact O-CG 3.31Å; C653-R657 WeakPolarHBondContact O-CG 3.17Å; C653-R657 PolarHBondContact O-N 2.92Å
658	S	91.3	Very high	93.8	Very high	15 Å²	15	20.5 Å²	20.5	11%	0.105	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-8.9	-179.9	-71.2	0	0	0	0	113.6	S523 C526 F654	S523-S658 VanDerWaalsContact O-CB 3.27Å; S523-S658 WeakPolarHBondContact O-CB 3.37Å; S523-S658 PolarHBondContact O-OG 3.49Å; C526-S658 VanDerWaalsContact C-OG 3.26Å; F654-S658 CarbonylContact O-C 3.52Å; F654-S658 WeakPolarHBondContact O-CA 3.18Å; F654-S658 PolarHBondContact O-N 3.41Å
659	G	91	Very high	93.4	Very high	25 Å²	25	20.2 Å²	20.2	26%	0.258	11%	0.107	S	C	.	.			trans	84.7	178.8	173.4	0	0	0	0	0	114.1	F654 L655 S661 A662 A663	F654-G659 PolarHBondContact O-N 2.91Å; L655-G659 WeakPolarHBondContact O-CA 3.44Å; L655-G659 PolarHBondContact O-N 3.14Å; G659-S661 VanDerWaalsContact C-N 3.33Å; G659-S661 PolarHBondContact O-N 3.27Å; G659-A662 PolarHBondContact O-N 3.49Å; G659-A662 VanDerWaalsContact O-N 3.07Å; G659-A663 PolarHBondContact O-N 3.3Å
660	L	90.9	Very high	93.1	Very high	47 Å²	47	20.2 Å²	20.2	25%	0.246	11%	0.107	C	C	.	.	H	α-helix	trans	-55	-42.5	-169.8	176.1	56.1	0	0	0	113.8	F557 L655 A662 A663 F664 W677 P691 W692	F557-L660 HydrophobicContact CE2-CD1 3.7Å; F557-L660 HydrophobicContact CZ-CD1 3.4Å; F557-L660 VanDerWaalsContact CZ-CD1 3.4Å; L655-L660 HydrophobicContact CD1-CB 4.43Å; L655-L660 HydrophobicContact CD1-CD1 4.34Å; L660-A662 VanDerWaalsContact C-N 3.27Å; L660-A662 PolarHBondContact O-N 2.93Å; L660-A663 PolarHBondContact O-N 2.97Å; L660-F664 VanDerWaalsContact O-CB 3.22Å; L660-F664 WeakPolarHBondContact O-CB 3.46Å; L660-F664 PolarHBondContact O-N 2.95Å; L660-W677 HydrophobicContact CD1-CZ3 4.41Å; L660-W677 HydrophobicContact CD2-CH2 3.52Å; L660-W677 HydrophobicContact CD2-CZ3 3.68Å; L660-W677 HydrophobicContact CG-CE3 4.39Å; L660-W677 HydrophobicContact CG-CH2 3.78Å; L660-W677 HydrophobicContact CG-CZ3 3.64Å; L660-P691 HydrophobicContact CD2-CG 4.09Å; L660-W692 HydrophobicContact CD1-CH2 3.58Å; L660-W692 HydrophobicContact CD1-CZ3 4.11Å; L660-W692 HydrophobicContact CD2-CH2 3.6Å; L660-W692 HydrophobicContact CD2-CZ2 4.15Å; L660-W692 HydrophobicContact CD2-CZ3 4.29Å; L660-W692 HydrophobicContact CG-CH2 4.22Å
661	S	90.7	Very high	92.6	Very high	33 Å²	33	24.4 Å²	24.4	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-34.7	-179.7	54.4	0	0	0	0	113.5	G659 N665	G659-S661 VanDerWaalsContact C-N 3.33Å; G659-S661 PolarHBondContact O-N 3.27Å; S661-N665 WeakPolarHBondContact O-CB 3.41Å; S661-N665 VanDerWaalsContact O-CG 3.25Å; S661-N665 PolarHBondContact O-N 3.42Å; S661-N665 VanDerWaalsContact O-N 3.1Å; S661-N665 PolarHBondContact O-ND2 3.17Å
662	A	92.2	Very high	92.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-74	-49.7	-179.7	0	0	0	0	0	110.9	F654 G659 L660 F664 N665 L666	F654-A662 HydrophobicContact CD1-CB 3.91Å; G659-A662 PolarHBondContact O-N 3.49Å; G659-A662 VanDerWaalsContact O-N 3.07Å; L660-A662 VanDerWaalsContact C-N 3.27Å; L660-A662 PolarHBondContact O-N 2.93Å; A662-F664 VanDerWaalsContact C-N 3.26Å; A662-F664 PolarHBondContact O-N 3.42Å; A662-N665 PolarHBondContact O-N 3.04Å; A662-L666 PolarHBondContact O-N 3.43Å
663	A	94.4	Very high	91.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-38.6	176.2	0	0	0	0	0	112	F557 F654 L655 G659 L660 L666 L667	F557-A663 HydrophobicContact CD1-CB 4.42Å; F557-A663 HydrophobicContact CE1-CB 3.82Å; F654-A663 HydrophobicContact CB-CB 4.11Å; L655-A663 HydrophobicContact CB-CB 3.89Å; L655-A663 HydrophobicContact CD1-CB 4.25Å; G659-A663 PolarHBondContact O-N 3.3Å; L660-A663 PolarHBondContact O-N 2.97Å; A663-L666 WeakPolarHBondContact O-CB 3.45Å; A663-L666 PolarHBondContact O-N 3Å; A663-L667 WeakPolarHBondContact O-CG 3.29Å; A663-L667 PolarHBondContact O-N 2.73Å
664	F	91.7	Very high	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.7	-42.1	178.5	-158.9	-88.5	0	0	0	112.8	I561 L660 A662 L666 L667 H668 C673 V675 W677 L680 W692 F695	I561-F664 HydrophobicContact CD1-CD2 4.3Å; I561-F664 HydrophobicContact CD1-CE2 4.06Å; I561-F664 HydrophobicContact CG2-CE2 4.05Å; L660-F664 VanDerWaalsContact O-CB 3.22Å; L660-F664 WeakPolarHBondContact O-CB 3.46Å; L660-F664 PolarHBondContact O-N 2.95Å; A662-F664 VanDerWaalsContact C-N 3.26Å; A662-F664 PolarHBondContact O-N 3.42Å; F664-L666 VanDerWaalsContact C-N 3.28Å; F664-L666 PolarHBondContact O-N 2.75Å; F664-L667 PolarHBondContact O-N 2.92Å; F664-H668 PolarHBondContact O-N 3.41Å; F664-C673 HydrophobicContact CZ-CB 4.46Å; F664-C673 WeakPolarHBondContact CZ-SG 3.31Å; F664-V675 VanDerWaalsContact CE1-O 3.25Å; F664-V675 WeakPolarHBondContact CE1-O 3.31Å; F664-W677 HydrophobicContact CB-CB 4.43Å; F664-W677 HydrophobicContact CB-CE3 3.9Å; F664-W677 HydrophobicContact CD1-CB 4.04Å; F664-W677 HydrophobicContact CD1-CE3 4.08Å; F664-W677 HydrophobicContact CD2-CE3 4.4Å; F664-W677 AromaticContact CG-CE3 3.86Å; F664-W677 HydrophobicContact CG-CE3 3.86Å; F664-L680 HydrophobicContact CD1-CD1 4.12Å; F664-L680 HydrophobicContact CE1-CD1 3.41Å; F664-L680 VanDerWaalsContact CE1-CD1 3.41Å; F664-L680 HydrophobicContact CE1-CG 4.26Å; F664-L680 HydrophobicContact CE2-CD1 3.95Å; F664-L680 HydrophobicContact CZ-CD1 3.32Å; F664-L680 HydrophobicContact CZ-CG 4.39Å; F664-W692 HydrophobicContact CD2-CZ3 4.45Å; F664-W692 HydrophobicContact CE2-CZ3 4.42Å; F664-F695 HydrophobicContact CE2-CE2 4.26Å; F664-F695 AromaticContact CZ-CE2 3.8Å; F664-F695 HydrophobicContact CZ-CE2 3.8Å; F664-F695 AromaticContact CZ-CZ 3.8Å; F664-F695 HydrophobicContact CZ-CZ 3.8Å
665	N	90.1	Very high	90.9	Very high	48 Å²	48	28.7 Å²	28.7	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-65.4	-31.5	173.4	-74.8	-17.9	0	0	0	112.3	S661 A662 H668 Y669 W677	S661-N665 WeakPolarHBondContact O-CB 3.41Å; S661-N665 VanDerWaalsContact O-CG 3.25Å; S661-N665 PolarHBondContact O-N 3.42Å; S661-N665 VanDerWaalsContact O-N 3.1Å; S661-N665 PolarHBondContact O-ND2 3.17Å; A662-N665 PolarHBondContact O-N 3.04Å; N665-H668 PolarHBondContact O-N 3.16Å; N665-Y669 WeakPolarHBondContact O-CB 3.41Å; N665-Y669 PolarHBondContact O-N 3.03Å; N665-W677 WeakPolarHBondContact OD1-CB 3.27Å; N665-W677 PolarHBondContact OD1-N 3.28Å; N665-W677 VanDerWaalsContact OD1-N 3.12Å
666	L	93.2	Very high	90.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.3	-45.9	173.3	-172.3	67.8	0	0	0	111.7	L444 L448 W601 I651 F654 A662 A663 F664 H668 Y669 F670	L444-L666 HydrophobicContact CD2-CD1 4.16Å; L448-L666 HydrophobicContact CD1-CD1 4.44Å; L448-L666 HydrophobicContact CD2-CD1 4.3Å; W601-L666 HydrophobicContact CH2-CD1 4.32Å; I651-L666 HydrophobicContact CG1-CD2 4.14Å; F654-L666 HydrophobicContact CB-CD2 4.35Å; F654-L666 HydrophobicContact CD1-CB 4.19Å; F654-L666 HydrophobicContact CD1-CD2 4.06Å; F654-L666 HydrophobicContact CD2-CD2 3.88Å; F654-L666 HydrophobicContact CE1-CB 4.42Å; F654-L666 HydrophobicContact CE1-CD1 4.4Å; F654-L666 HydrophobicContact CE1-CD2 4.33Å; F654-L666 HydrophobicContact CE2-CD2 4.14Å; F654-L666 HydrophobicContact CG-CD2 3.83Å; F654-L666 HydrophobicContact CZ-CD1 4.37Å; F654-L666 HydrophobicContact CZ-CD2 4.36Å; A662-L666 PolarHBondContact O-N 3.43Å; A663-L666 WeakPolarHBondContact O-CB 3.45Å; A663-L666 PolarHBondContact O-N 3Å; F664-L666 VanDerWaalsContact C-N 3.28Å; F664-L666 PolarHBondContact O-N 2.75Å; L666-H668 VanDerWaalsContact C-N 3.27Å; L666-H668 PolarHBondContact O-N 3.32Å; L666-Y669 WeakPolarHBondContact O-CB 3.48Å; L666-Y669 PolarHBondContact O-N 2.73Å; L666-F670 HydrophobicContact CD1-CE1 3.93Å; L666-F670 HydrophobicContact CD1-CE2 4.29Å; L666-F670 HydrophobicContact CD1-CZ 3.68Å; L666-F670 HydrophobicContact CD2-CE2 4.06Å; L666-F670 HydrophobicContact CD2-CZ 4Å; L666-F670 HydrophobicContact CG-CD2 4.4Å; L666-F670 HydrophobicContact CG-CE1 4.25Å; L666-F670 HydrophobicContact CG-CE2 3.71Å; L666-F670 HydrophobicContact CG-CZ 3.61Å; L666-F670 WeakPolarHBondContact O-CD2 3.41Å; L666-F670 VanDerWaalsContact O-CG 3.3Å; L666-F670 WeakPolarHBondContact O-CG 3.42Å; L666-F670 PolarHBondContact O-N 3.44Å
667	L	93.9	Very high	90.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-32.5	173.8	-69.6	175.3	0	0	0	112.9	F557 L558 I561 I651 A663 F664 F670 Q671 I672 C673	F557-L667 HydrophobicContact CD1-CD1 4.05Å; F557-L667 HydrophobicContact CE1-CD1 3.63Å; F557-L667 HydrophobicContact CZ-CD1 4.48Å; L558-L667 HydrophobicContact CD1-CD2 3.71Å; I561-L667 HydrophobicContact CB-CD1 3.8Å; I561-L667 HydrophobicContact CG1-CD1 3.8Å; I561-L667 HydrophobicContact CG2-CD1 3.82Å; I651-L667 HydrophobicContact CD1-CD2 3.69Å; I651-L667 HydrophobicContact CG1-CD2 4.12Å; A663-L667 WeakPolarHBondContact O-CG 3.29Å; A663-L667 PolarHBondContact O-N 2.73Å; F664-L667 PolarHBondContact O-N 2.92Å; L667-F670 HydrophobicContact CD2-CD2 4.44Å; L667-Q671 PolarHBondContact O-N 2.88Å; L667-I672 HydrophobicContact CD2-CD1 4.37Å; L667-I672 HydrophobicContact CD2-CG2 4.48Å; L667-I672 PolarHBondContact O-N 3.42Å; L667-I672 VanDerWaalsContact O-N 3.12Å; L667-C673 HydrophobicContact CB-CB 4.23Å; L667-C673 PolarHBondContact O-N 3.34Å
668	H	90.9	Very high	89.9	Confident	52 Å²	52	24.8 Å²	24.8	24%	0.241	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-43.1	173.1	-179.3	54.9	0	0	0	112.3	F664 N665 L666 F670 Q671 C673 V675	F664-H668 PolarHBondContact O-N 3.41Å; N665-H668 PolarHBondContact O-N 3.16Å; L666-H668 VanDerWaalsContact C-N 3.27Å; L666-H668 PolarHBondContact O-N 3.32Å; H668-F670 VanDerWaalsContact C-N 3.31Å; H668-F670 PolarHBondContact O-N 2.9Å; H668-Q671 WeakPolarHBondContact O-CA 3.42Å; H668-Q671 PolarHBondContact O-N 3.37Å; H668-C673 WeakPolarHBondContact CA-O 3.35Å; H668-C673 PolarHBondContact ND1-O 3.44Å; H668-V675 PolarHBondContact ND1-O 3.34Å
669	Y	89.8	Confident	89.7	Confident	7 Å²	7	27.4 Å²	27.4	3%	0.027	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-43.2	174	173.5	-107.4	0	0	0	111.5	E447 L448 F454 I457 L599 N665 L666 Q671	E447-Y669 HydrophobicContact CB-CE2 3.74Å; E447-Y669 HydrophobicContact CG-CE2 4.33Å; E447-Y669 WeakPolarHBondContact CG-OH 3.37Å; L448-Y669 HydrophobicContact CD2-CG 4.18Å; F454-Y669 WeakPolarHBondContact CB-O 3.2Å; F454-Y669 WeakPolarHBondContact CD1-O 3.2Å; I457-Y669 HydrophobicContact CD1-CE1 4.3Å; I457-Y669 HydrophobicContact CD1-CE2 3.89Å; I457-Y669 WeakPolarHBondContact CD1-OH 3.2Å; I457-Y669 HydrophobicContact CG1-CE2 4.31Å; L599-Y669 HydrophobicContact CD1-CE1 4.23Å; L599-Y669 HydrophobicContact CD2-CE1 4.03Å; N665-Y669 WeakPolarHBondContact O-CB 3.41Å; N665-Y669 PolarHBondContact O-N 3.03Å; L666-Y669 WeakPolarHBondContact O-CB 3.48Å; L666-Y669 PolarHBondContact O-N 2.73Å; Y669-Q671 PolarHBondContact O-N 2.89Å; Y669-Q671 VanDerWaalsContact O-N 3.08Å
670	F	90.9	Very high	89.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	1.8	171.5	-59.4	-24.6	0	0	0	115	F454 I595 L599 W601 V647 I651 L666 L667 H668 I672	F454-F670 VanDerWaalsContact CD1-C 3.43Å; F454-F670 WeakPolarHBondContact CD1-O 3.34Å; F454-F670 WeakPolarHBondContact CE1-O 3.44Å; I595-F670 HydrophobicContact CD1-CB 4.23Å; I595-F670 HydrophobicContact CG2-CD1 3.86Å; I595-F670 HydrophobicContact CG2-CE1 4.09Å; I595-F670 HydrophobicContact CG2-CG 4.34Å; L599-F670 HydrophobicContact CD1-CD1 4.14Å; L599-F670 HydrophobicContact CD1-CE1 3.71Å; W601-F670 AromaticContact CH2-CE1 3.48Å; W601-F670 HydrophobicContact CH2-CE1 3.48Å; W601-F670 VanDerWaalsContact CH2-CE1 3.48Å; W601-F670 AromaticContact CH2-CZ 3.45Å; W601-F670 HydrophobicContact CH2-CZ 3.45Å; W601-F670 VanDerWaalsContact CH2-CZ 3.45Å; W601-F670 HydrophobicContact CZ2-CE1 4.28Å; W601-F670 AromaticContact CZ3-CE1 3.87Å; W601-F670 HydrophobicContact CZ3-CE1 3.87Å; W601-F670 AromaticContact CZ3-CZ 3.56Å; W601-F670 HydrophobicContact CZ3-CZ 3.56Å; V647-F670 HydrophobicContact CG1-CD2 4.45Å; V647-F670 HydrophobicContact CG1-CE2 3.76Å; V647-F670 HydrophobicContact CG1-CZ 4.12Å; I651-F670 HydrophobicContact CD1-CD2 4.5Å; I651-F670 HydrophobicContact CD1-CE2 4.08Å; I651-F670 HydrophobicContact CG1-CE2 4.02Å; L666-F670 HydrophobicContact CD1-CE1 3.93Å; L666-F670 HydrophobicContact CD1-CE2 4.29Å; L666-F670 HydrophobicContact CD1-CZ 3.68Å; L666-F670 HydrophobicContact CD2-CE2 4.06Å; L666-F670 HydrophobicContact CD2-CZ 4Å; L666-F670 HydrophobicContact CG-CD2 4.4Å; L666-F670 HydrophobicContact CG-CE1 4.25Å; L666-F670 HydrophobicContact CG-CE2 3.71Å; L666-F670 HydrophobicContact CG-CZ 3.61Å; L666-F670 WeakPolarHBondContact O-CD2 3.41Å; L666-F670 VanDerWaalsContact O-CG 3.3Å; L666-F670 WeakPolarHBondContact O-CG 3.42Å; L666-F670 PolarHBondContact O-N 3.44Å; L667-F670 HydrophobicContact CD2-CD2 4.44Å; H668-F670 VanDerWaalsContact C-N 3.31Å; H668-F670 PolarHBondContact O-N 2.9Å; F670-I672 HydrophobicContact CB-CD1 3.97Å; F670-I672 HydrophobicContact CB-CG1 3.96Å; F670-I672 HydrophobicContact CD2-CD1 4.22Å; F670-I672 PolarHBondContact O-N 3.49Å
671	Q	88.1	Confident	89.2	Confident	88 Å²	88	29.8 Å²	29.8	41%	0.411	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	9.3	-174.8	-59.2	174	72.2	0	0	115.1	P453 F454 S455 L667 H668 Y669 C673	P453-Q671 HydrophobicContact CB-CG 4.45Å; F454-Q671 HydrophobicContact CD1-CB 4.04Å; F454-Q671 HydrophobicContact CD1-CG 3.73Å; F454-Q671 HydrophobicContact CE1-CB 3.93Å; F454-Q671 HydrophobicContact CE1-CG 4.03Å; F454-Q671 VanDerWaalsContact CE1-NE2 3.33Å; S455-Q671 PolarHBondContact OG-NE2 2.92Å; L667-Q671 PolarHBondContact O-N 2.88Å; H668-Q671 WeakPolarHBondContact O-CA 3.42Å; H668-Q671 PolarHBondContact O-N 3.37Å; Y669-Q671 PolarHBondContact O-N 2.89Å; Y669-Q671 VanDerWaalsContact O-N 3.08Å; Q671-C673 VanDerWaalsContact C-N 3.33Å
672	I	90.9	Very high	89	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.185	C	C	.	.	S	Bend	trans	-70.1	-35.8	173.1	-62.1	174.9	0	0	0	109.7	L558 A562 L592 I595 L667 F670	L558-I672 HydrophobicContact CD1-CD1 3.86Å; L558-I672 HydrophobicContact CD1-CG2 3.92Å; A562-I672 HydrophobicContact CB-CG2 4.5Å; L592-I672 HydrophobicContact CD2-CD1 3.93Å; I595-I672 HydrophobicContact CD1-CD1 4.19Å; I595-I672 HydrophobicContact CD1-CG1 4.48Å; L667-I672 HydrophobicContact CD2-CD1 4.37Å; L667-I672 HydrophobicContact CD2-CG2 4.48Å; L667-I672 PolarHBondContact O-N 3.42Å; L667-I672 VanDerWaalsContact O-N 3.12Å; F670-I672 HydrophobicContact CB-CD1 3.97Å; F670-I672 HydrophobicContact CB-CG1 3.96Å; F670-I672 HydrophobicContact CD2-CD1 4.22Å; F670-I672 PolarHBondContact O-N 3.49Å
673	C	89.2	Confident	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-106.2	122.5	169.8	-167.7	0	0	0	0	111.4	I561 F664 L667 H668 Q671 V675	I561-C673 HydrophobicContact CG2-CB 4.28Å; F664-C673 HydrophobicContact CZ-CB 4.46Å; F664-C673 WeakPolarHBondContact CZ-SG 3.31Å; L667-C673 HydrophobicContact CB-CB 4.23Å; L667-C673 PolarHBondContact O-N 3.34Å; H668-C673 WeakPolarHBondContact CA-O 3.35Å; H668-C673 PolarHBondContact ND1-O 3.44Å; Q671-C673 VanDerWaalsContact C-N 3.33Å; C673-V675 PolarHBondContact O-N 2.89Å; C673-V675 PolarHBondContact SG-O 3.29Å
674	P	84.6	Confident	88.2	Confident	71 Å²	71	44.5 Å²	44.5	46%	0.461	23%	0.23	S	C	.	.	S	Bend	trans	-74	-6.3	-179.3	28	-32.3	0	0	0	114
675	V	85.1	Confident	87.7	Confident	16 Å²	16	48.8 Å²	48.8	10%	0.097	25%	0.25	C	C	.	.	S	Bend	trans	-122.4	142.8	-173	-168.7	0	0	0	0	109.5	F664 H668 C673 T679 L680 F694 F695	F664-V675 VanDerWaalsContact CE1-O 3.25Å; F664-V675 WeakPolarHBondContact CE1-O 3.31Å; H668-V675 PolarHBondContact ND1-O 3.34Å; C673-V675 PolarHBondContact O-N 2.89Å; C673-V675 PolarHBondContact SG-O 3.29Å; V675-T679 HydrophobicContact CG1-CG2 3.71Å; V675-L680 HydrophobicContact CG1-CD2 4.38Å; V675-L680 HydrophobicContact CG1-CG 4.18Å; V675-F694 HydrophobicContact CG1-CD1 4.36Å; V675-F694 HydrophobicContact CG1-CE1 4.13Å; V675-F694 HydrophobicContact CG2-CD1 4.14Å; V675-F694 HydrophobicContact CG2-CE1 3.79Å; V675-F695 HydrophobicContact CB-CZ 4.18Å; V675-F695 HydrophobicContact CG2-CE1 3.99Å; V675-F695 HydrophobicContact CG2-CZ 4.12Å
676	S	86	Confident	87.4	Confident	17 Å²	17	49 Å²	49	12%	0.119	25%	0.247	C	C	.	.			trans	-87.2	160.6	174	70.7	0	0	0	0	112.2	S678 T679 L680	S676-S678 VanDerWaalsContact C-N 3.26Å; S676-S678 PolarHBondContact O-N 3.33Å; S676-S678 PolarHBondContact OG-OG 2.79Å; S676-T679 PolarHBondContact O-N 2.95Å; S676-T679 PolarHBondContact OG-N 3.45Å; S676-T679 PolarHBondContact OG-OG1 3.25Å; S676-L680 PolarHBondContact O-N 3.22Å
677	W	87.3	Confident	86.9	Confident	32 Å²	32	55.5 Å²	55.5	12%	0.121	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-33.1	176.6	-177.6	-99.5	0	0	0	112.8	L660 F664 N665 L680 K681 Y686 P691	L660-W677 HydrophobicContact CD1-CZ3 4.41Å; L660-W677 HydrophobicContact CD2-CH2 3.52Å; L660-W677 HydrophobicContact CD2-CZ3 3.68Å; L660-W677 HydrophobicContact CG-CE3 4.39Å; L660-W677 HydrophobicContact CG-CH2 3.78Å; L660-W677 HydrophobicContact CG-CZ3 3.64Å; F664-W677 HydrophobicContact CB-CB 4.43Å; F664-W677 HydrophobicContact CB-CE3 3.9Å; F664-W677 HydrophobicContact CD1-CB 4.04Å; F664-W677 HydrophobicContact CD1-CE3 4.08Å; F664-W677 HydrophobicContact CD2-CE3 4.4Å; F664-W677 AromaticContact CG-CE3 3.86Å; F664-W677 HydrophobicContact CG-CE3 3.86Å; N665-W677 WeakPolarHBondContact OD1-CB 3.27Å; N665-W677 PolarHBondContact OD1-N 3.28Å; N665-W677 VanDerWaalsContact OD1-N 3.12Å; W677-L680 HydrophobicContact CE3-CD1 4.18Å; W677-L680 HydrophobicContact CZ3-CD1 4.43Å; W677-L680 PolarHBondContact O-N 2.98Å; W677-K681 WeakPolarHBondContact O-CB 3.3Å; W677-K681 PolarHBondContact O-N 2.88Å; W677-Y686 HydrophobicContact CH2-CE2 4.42Å; W677-Y686 HydrophobicContact CZ2-CE2 4.41Å; W677-P691 HydrophobicContact CH2-CB 3.75Å; W677-P691 HydrophobicContact CH2-CG 4.42Å; W677-P691 HydrophobicContact CZ3-CB 4.05Å
678	S	86.6	Confident	86.3	Confident	66 Å²	66	61.2 Å²	61.2	46%	0.462	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-39.6	177	49	0	0	0	0	111.8	S676 K681 N682	S676-S678 VanDerWaalsContact C-N 3.26Å; S676-S678 PolarHBondContact O-N 3.33Å; S676-S678 PolarHBondContact OG-OG 2.79Å; S678-K681 PolarHBondContact O-N 2.68Å; S678-N682 VanDerWaalsContact O-CB 3.29Å; S678-N682 WeakPolarHBondContact O-CB 3.38Å; S678-N682 PolarHBondContact O-N 3.3Å; S678-N682 PolarHBondContact O-ND2 2.83Å
679	T	85.5	Confident	85.9	Confident	70 Å²	70	64 Å²	64	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-46.7	174.5	-58.2	0	0	0	0	111.2	V675 S676 K681 N682 D683	V675-T679 HydrophobicContact CG1-CG2 3.71Å; S676-T679 PolarHBondContact O-N 2.95Å; S676-T679 PolarHBondContact OG-N 3.45Å; S676-T679 PolarHBondContact OG-OG1 3.25Å; T679-K681 PolarHBondContact O-N 2.87Å; T679-N682 PolarHBondContact O-N 2.88Å; T679-D683 PolarHBondContact O-N 3.42Å
680	L	85.4	Confident	85.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-46.9	175.2	-75.9	179.3	0	0	0	113.1	F664 V675 S676 W677 N682 D683 Y686 F694 F695	F664-L680 HydrophobicContact CD1-CD1 4.12Å; F664-L680 HydrophobicContact CE1-CD1 3.41Å; F664-L680 VanDerWaalsContact CE1-CD1 3.41Å; F664-L680 HydrophobicContact CE1-CG 4.26Å; F664-L680 HydrophobicContact CE2-CD1 3.95Å; F664-L680 HydrophobicContact CZ-CD1 3.32Å; F664-L680 HydrophobicContact CZ-CG 4.39Å; V675-L680 HydrophobicContact CG1-CD2 4.38Å; V675-L680 HydrophobicContact CG1-CG 4.18Å; S676-L680 PolarHBondContact O-N 3.22Å; W677-L680 HydrophobicContact CE3-CD1 4.18Å; W677-L680 HydrophobicContact CZ3-CD1 4.43Å; W677-L680 PolarHBondContact O-N 2.98Å; L680-N682 VanDerWaalsContact C-N 3.28Å; L680-N682 PolarHBondContact O-N 3.32Å; L680-D683 PolarHBondContact O-N 2.87Å; L680-Y686 VanDerWaalsContact O-CD2 3.3Å; L680-Y686 WeakPolarHBondContact O-CD2 3.49Å; L680-F694 HydrophobicContact CD2-CB 3.36Å; L680-F694 HydrophobicContact CD2-CD1 4.03Å; L680-F694 HydrophobicContact CD2-CG 3.86Å; L680-F695 HydrophobicContact CD1-CE2 4.06Å; L680-F695 HydrophobicContact CD2-CE2 3.92Å; L680-F695 HydrophobicContact CD2-CZ 4.38Å
681	K	86.5	Confident	85.2	Confident	122 Å²	122	64.2 Å²	64.2	53%	0.53	33%	0.326	S	S	.	.	H	α-helix	trans	-68.9	-27.5	-176.1	-172.5	-178.4	175.2	-171.5	0	112.7	W677 S678 T679 Y686	W677-K681 WeakPolarHBondContact O-CB 3.3Å; W677-K681 PolarHBondContact O-N 2.88Å; S678-K681 PolarHBondContact O-N 2.68Å; T679-K681 PolarHBondContact O-N 2.87Å; K681-Y686 HydrophobicContact CB-CE2 4.49Å; K681-Y686 HydrophobicContact CG-CE1 4.3Å
682	N	87.2	Confident	85.1	Confident	132 Å²	132	60.6 Å²	60.6	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-86.5	-5.8	179.9	-68.8	-14.1	0	0	0	113.3	S678 T679 L680	S678-N682 VanDerWaalsContact O-CB 3.29Å; S678-N682 WeakPolarHBondContact O-CB 3.38Å; S678-N682 PolarHBondContact O-N 3.3Å; S678-N682 PolarHBondContact O-ND2 2.83Å; T679-N682 PolarHBondContact O-N 2.88Å; L680-N682 VanDerWaalsContact C-N 3.28Å; L680-N682 PolarHBondContact O-N 3.32Å
683	D	84.8	Confident	84.8	Confident	39 Å²	39	60.4 Å²	60.4	21%	0.209	31%	0.308	C	S	.	.	S	Bend	trans	-66.8	139.6	173.6	-171.6	-92.7	0	0	0	111.4	T679 L680 H685 Y686 H693	T679-D683 PolarHBondContact O-N 3.42Å; L680-D683 PolarHBondContact O-N 2.87Å; D683-H685 PolarHBondContact O-N 3.27Å; D683-H685 VanDerWaalsContact O-N 3.13Å; D683-H685 WeakPolarHBondContact OD1-CA 3.41Å; D683-H685 VanDerWaalsContact OD1-CB 3.29Å; D683-H685 WeakPolarHBondContact OD1-CB 3.02Å; D683-H685 IonicContact OD1-CD2 3.19Å; D683-H685 IonicContact OD1-CG 3.82Å; D683-H685 PolarHBondContact OD1-N 2.8Å; D683-Y686 VanDerWaalsContact O-CB 3.25Å; D683-Y686 WeakPolarHBondContact O-CB 3.44Å; D683-Y686 PolarHBondContact O-N 2.87Å; D683-H693 IonicContact OD1-CD2 3.63Å; D683-H693 IonicContact OD1-NE2 2.91Å; D683-H693 PolarHBondContact OD1-NE2 3.34Å
684	K	83.9	Confident	84.5	Confident	172 Å²	172	62.5 Å²	62.5	75%	0.748	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-15.6	-178.1	69.8	-164.8	178.1	-167.5	0	114.5
685	H	81.2	Confident	84.6	Confident	90 Å²	90	59.1 Å²	59.1	42%	0.417	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	2.1	176.9	-58.4	-67.6	0	0	0	113	D683 K687	D683-H685 PolarHBondContact O-N 3.27Å; D683-H685 VanDerWaalsContact O-N 3.13Å; D683-H685 WeakPolarHBondContact OD1-CA 3.41Å; D683-H685 VanDerWaalsContact OD1-CB 3.29Å; D683-H685 WeakPolarHBondContact OD1-CB 3.02Å; D683-H685 IonicContact OD1-CD2 3.19Å; D683-H685 IonicContact OD1-CG 3.82Å; D683-H685 PolarHBondContact OD1-N 2.8Å; H685-K687 PolarHBondContact O-N 3.4Å
686	Y	83.8	Confident	84.7	Confident	51 Å²	51	59.3 Å²	59.3	20%	0.2	30%	0.295	C	S	.	.			trans	-57.7	130.9	178.1	177.6	-91	0	0	0	111.9	W677 L680 K681 D683 V688 P691 H693	W677-Y686 HydrophobicContact CH2-CE2 4.42Å; W677-Y686 HydrophobicContact CZ2-CE2 4.41Å; L680-Y686 VanDerWaalsContact O-CD2 3.3Å; L680-Y686 WeakPolarHBondContact O-CD2 3.49Å; K681-Y686 HydrophobicContact CB-CE2 4.49Å; K681-Y686 HydrophobicContact CG-CE1 4.3Å; D683-Y686 VanDerWaalsContact O-CB 3.25Å; D683-Y686 WeakPolarHBondContact O-CB 3.44Å; D683-Y686 PolarHBondContact O-N 2.87Å; Y686-V688 HydrophobicContact CE1-CG2 4.02Å; Y686-P691 HydrophobicContact CE2-CB 3.82Å; Y686-H693 PolarHBondContact N-NE2 3.17Å
687	K	83.9	Confident	84	Confident	137 Å²	137	60.8 Å²	60.8	60%	0.596	30%	0.3	S	S	*	.	B	Isolated β-bridge	trans	-129.6	139.2	169.3	-64.7	-176.7	-179.3	-177.3	0	108.8	H685 E689 A690	H685-K687 PolarHBondContact O-N 3.4Å; K687-E689 PolarHBondContact O-N 2.87Å; K687-A690 HydrophobicContact CB-CB 4.36Å; K687-A690 CarbonylContact O-C 3.59Å; K687-A690 PolarHBondContact O-N 2.63Å
688	V	81.9	Confident	82.5	Confident	120 Å²	120	63.6 Å²	63.6	73%	0.727	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-34.7	179.5	179.1	0	0	0	0	112	Y686 A690	Y686-V688 HydrophobicContact CE1-CG2 4.02Å; V688-A690 VanDerWaalsContact C-N 3.3Å
689	E	80.9	Confident	80.8	Confident	112 Å²	112	66.7 Å²	66.7	52%	0.523	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-13.2	178.5	-60.3	170.6	-135.4	0	0	113.9	K687 N885 H886	K687-E689 PolarHBondContact O-N 2.87Å; E689-N885 PolarHBondContact OE2-ND2 2.94Å; E689-H886 PolarHBondContact O-N 3.23Å
690	A	83.1	Confident	79	Confident	3 Å²	3	64.2 Å²	64.2	3%	0.025	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-143.7	59.7	-174.9	0	0	0	0	0	111.7	K687 V688 W692 H693 N883 G884 N885	K687-A690 HydrophobicContact CB-CB 4.36Å; K687-A690 CarbonylContact O-C 3.59Å; K687-A690 PolarHBondContact O-N 2.63Å; V688-A690 VanDerWaalsContact C-N 3.3Å; A690-W692 PolarHBondContact O-N 3.39Å; A690-H693 PolarHBondContact O-N 3.38Å; A690-H693 PolarHBondContact O-ND1 3.29Å; A690-N883 WeakPolarHBondContact CB-O 3.4Å; A690-G884 WeakPolarHBondContact CA-O 3.27Å; A690-N885 HydrophobicContact CB-CB 4.41Å
691	P	82.7	Confident	76.6	Confident	7 Å²	7	68 Å²	68	5%	0.045	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.3	-175.4	27.3	-33.1	0	0	0	112.4	L660 W677 Y686 H693	L660-P691 HydrophobicContact CD2-CG 4.09Å; W677-P691 HydrophobicContact CH2-CB 3.75Å; W677-P691 HydrophobicContact CH2-CG 4.42Å; W677-P691 HydrophobicContact CZ3-CB 4.05Å; Y686-P691 HydrophobicContact CE2-CB 3.82Å; P691-H693 VanDerWaalsContact C-N 3.31Å; P691-H693 PolarHBondContact O-N 2.8Å; P691-H693 PolarHBondContact O-ND1 3.04Å; P691-H693 VanDerWaalsContact O-ND1 3.14Å
692	W	87.8	Confident	74.2	Confident	12 Å²	12	66.2 Å²	66.2	5%	0.045	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.2	-175.5	-33.3	115.5	0	0	0	115.3	F557 F560 I561 L564 L660 F664 A690 F694 F695 F879 G884	F557-W692 HydrophobicContact CE2-CH2 4.06Å; F560-W692 AromaticContact CE1-CD2 3.94Å; F560-W692 HydrophobicContact CE1-CD2 3.94Å; F560-W692 AromaticContact CE1-CE2 3.64Å; F560-W692 HydrophobicContact CE1-CE3 4.23Å; F560-W692 AromaticContact CE1-CH2 3.95Å; F560-W692 HydrophobicContact CE1-CH2 3.95Å; F560-W692 AromaticContact CE1-CZ2 3.66Å; F560-W692 HydrophobicContact CE1-CZ2 3.66Å; F560-W692 HydrophobicContact CE1-CZ3 4.25Å; F560-W692 AromaticContact CZ-CD2 3.96Å; F560-W692 HydrophobicContact CZ-CD2 3.96Å; F560-W692 AromaticContact CZ-CE2 3.77Å; F560-W692 HydrophobicContact CZ-CG 4.15Å; F560-W692 HydrophobicContact CZ-CZ2 4.24Å; F560-W692 AromaticContact CZ-NE1 3.83Å; I561-W692 HydrophobicContact CD1-CE3 3.99Å; I561-W692 HydrophobicContact CD1-CH2 4.12Å; I561-W692 HydrophobicContact CD1-CZ3 3.51Å; L564-W692 HydrophobicContact CD1-CB 3.88Å; L564-W692 HydrophobicContact CD1-CD2 4.04Å; L564-W692 HydrophobicContact CD1-CE3 4.05Å; L564-W692 HydrophobicContact CD1-CG 3.98Å; L660-W692 HydrophobicContact CD1-CH2 3.58Å; L660-W692 HydrophobicContact CD1-CZ3 4.11Å; L660-W692 HydrophobicContact CD2-CH2 3.6Å; L660-W692 HydrophobicContact CD2-CZ2 4.15Å; L660-W692 HydrophobicContact CD2-CZ3 4.29Å; L660-W692 HydrophobicContact CG-CH2 4.22Å; F664-W692 HydrophobicContact CD2-CZ3 4.45Å; F664-W692 HydrophobicContact CE2-CZ3 4.42Å; A690-W692 PolarHBondContact O-N 3.39Å; W692-F694 PolarHBondContact O-N 3.31Å; W692-F695 PolarHBondContact O-N 3.44Å; W692-F879 HydrophobicContact CB-CE1 4.46Å; W692-F879 AromaticContact CD1-CZ 3.37Å; W692-F879 HydrophobicContact CG-CE1 4.5Å; W692-F879 HydrophobicContact CG-CZ 4.15Å; W692-F879 AromaticContact NE1-CZ 3.99Å; W692-G884 VanDerWaalsContact CD1-O 3.22Å
693	H	83.4	Confident	71.8	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-42.7	-39.8	-173.4	69	-64.1	0	0	0	115.1	D683 Y686 A690 P691 F695 L696 Q697 N883	D683-H693 IonicContact OD1-CD2 3.63Å; D683-H693 IonicContact OD1-NE2 2.91Å; D683-H693 PolarHBondContact OD1-NE2 3.34Å; Y686-H693 PolarHBondContact N-NE2 3.17Å; A690-H693 PolarHBondContact O-N 3.38Å; A690-H693 PolarHBondContact O-ND1 3.29Å; P691-H693 VanDerWaalsContact C-N 3.31Å; P691-H693 PolarHBondContact O-N 2.8Å; P691-H693 PolarHBondContact O-ND1 3.04Å; P691-H693 VanDerWaalsContact O-ND1 3.14Å; H693-F695 VanDerWaalsContact C-N 3.31Å; H693-F695 PolarHBondContact O-N 3.38Å; H693-L696 PolarHBondContact O-N 3.49Å; H693-Q697 PolarHBondContact O-N 3.03Å; H693-N883 WeakPolarHBondContact CB-ND2 3.43Å; H693-N883 WeakPolarHBondContact CB-O 3.23Å; H693-N883 WeakPolarHBondContact CB-OD1 3.32Å
694	F	83.5	Confident	69.8	Low	43 Å²	43	71.5 Å²	71.5	19%	0.189	35%	0.352	C	S	.	.	H	α-helix	trans	-58.2	-38.5	-179.6	-167	-102.3	0	0	0	113.2	V675 L680 W692 L696 Q697 L700	V675-F694 HydrophobicContact CG1-CD1 4.36Å; V675-F694 HydrophobicContact CG1-CE1 4.13Å; V675-F694 HydrophobicContact CG2-CD1 4.14Å; V675-F694 HydrophobicContact CG2-CE1 3.79Å; L680-F694 HydrophobicContact CD2-CB 3.36Å; L680-F694 HydrophobicContact CD2-CD1 4.03Å; L680-F694 HydrophobicContact CD2-CG 3.86Å; W692-F694 PolarHBondContact O-N 3.31Å; F694-L696 PolarHBondContact O-N 2.85Å; F694-Q697 PolarHBondContact O-N 2.98Å; F694-L700 HydrophobicContact CD1-CD1 3.82Å; F694-L700 HydrophobicContact CE1-CD1 3.35Å; F694-L700 HydrophobicContact CZ-CD1 3.89Å
695	F	87	Confident	67.3	Low	1 Å²	1	69.8 Å²	69.8	0%	0.004	35%	0.351	C	S	.	.	H	α-helix	trans	-74	-13.5	177.8	-61.9	-70.1	0	0	0	113.7	L564 G568 F664 V675 L680 W692 H693	L564-F695 HydrophobicContact CB-CB 4.09Å; L564-F695 HydrophobicContact CB-CD2 4.39Å; L564-F695 HydrophobicContact CB-CG 4.17Å; G568-F695 WeakPolarHBondContact CA-O 3.48Å; F664-F695 HydrophobicContact CE2-CE2 4.26Å; F664-F695 AromaticContact CZ-CE2 3.8Å; F664-F695 HydrophobicContact CZ-CE2 3.8Å; F664-F695 AromaticContact CZ-CZ 3.8Å; F664-F695 HydrophobicContact CZ-CZ 3.8Å; V675-F695 HydrophobicContact CB-CZ 4.18Å; V675-F695 HydrophobicContact CG2-CE1 3.99Å; V675-F695 HydrophobicContact CG2-CZ 4.12Å; L680-F695 HydrophobicContact CD1-CE2 4.06Å; L680-F695 HydrophobicContact CD2-CE2 3.92Å; L680-F695 HydrophobicContact CD2-CZ 4.38Å; W692-F695 PolarHBondContact O-N 3.44Å; H693-F695 VanDerWaalsContact C-N 3.31Å; H693-F695 PolarHBondContact O-N 3.38Å
696	L	86.5	Confident	64.8	Low	19 Å²	19	72 Å²	72	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-101	-5.4	-178.3	-53.5	176	0	0	0	112	L564 Y567 H693 F694 L772 F879 V880	L564-L696 HydrophobicContact CD2-CD2 4.01Å; Y567-L696 HydrophobicContact CD1-CD2 4.22Å; Y567-L696 HydrophobicContact CE1-CD2 4.23Å; H693-L696 PolarHBondContact O-N 3.49Å; F694-L696 PolarHBondContact O-N 2.85Å; L696-L772 HydrophobicContact CD2-CD2 4.27Å; L696-F879 HydrophobicContact CD1-CD1 3.97Å; L696-F879 HydrophobicContact CD1-CE1 4.11Å; L696-V880 HydrophobicContact CD2-CG2 4.36Å
697	Q	71.2	Confident	62.1	Low	48 Å²	48	72.1 Å²	72.1	22%	0.224	39%	0.392	C	S	.	.	S	Bend	trans	-82.3	136.9	179.5	-72.3	-167.6	40.1	0	0	112.6	H693 F694 K699	H693-Q697 PolarHBondContact O-N 3.03Å; F694-Q697 PolarHBondContact O-N 2.98Å; Q697-K699 PolarHBondContact O-N 3.3Å
698	P	55.6	Low	59.2	Low	91 Å²	91	73.8 Å²	73.8	59%	0.591	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-1.3	174.4	-23.4	33.6	0	0	0	116.2	Y701	P698-Y701 WeakPolarHBondContact O-CD2 3.26Å
699	K	50.6	Low	56.6	Low	131 Å²	131	72.1 Å²	72.1	57%	0.57	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-13.4	-173.3	-72.9	-171.5	172.1	-172.5	0	115	Q697 Y701 S702	Q697-K699 PolarHBondContact O-N 3.3Å; K699-Y701 PolarHBondContact O-N 3.43Å; K699-Y701 VanDerWaalsContact O-N 3.11Å; K699-S702 PolarHBondContact O-N 3.41Å; K699-S702 PolarHBondContact O-OG 3.48Å
700	L	49.2	Very low	54	Low	19 Å²	19	75.4 Å²	75.4	10%	0.099	43%	0.427	C	S	.	.	H	α-helix	trans	-58.7	-29.4	-178.6	-144.4	79.3	0	0	0	112.6	G568 T569 F694 S702	G568-L700 WeakPolarHBondContact O-CD2 3.27Å; T569-L700 HydrophobicContact CG2-CD2 3.61Å; F694-L700 HydrophobicContact CD1-CD1 3.82Å; F694-L700 HydrophobicContact CE1-CD1 3.35Å; F694-L700 HydrophobicContact CZ-CD1 3.89Å; L700-S702 VanDerWaalsContact C-N 3.33Å; L700-S702 PolarHBondContact O-N 2.88Å
701	Y	34.1	Very low	51.4	Low	78 Å²	78	81.5 Å²	81.5	31%	0.306	46%	0.459	S	S	.	.	H	α-helix	trans	-65.4	-27.1	176.3	-59.3	-86.2	0	0	0	114.9	N570 P698 K699 R768	N570-Y701 PolarHBondContact O-OH 3.02Å; P698-Y701 WeakPolarHBondContact O-CD2 3.26Å; K699-Y701 PolarHBondContact O-N 3.43Å; K699-Y701 VanDerWaalsContact O-N 3.11Å; Y701-R768 PolarHBondContact OH-NH2 3.36Å
702	S	36.3	Very low	48.9	Very low	85 Å²	85	85.9 Å²	85.9	59%	0.594	50%	0.496	S	S	*	.	H	α-helix	trans	-89.5	-21.9	-169.2	53.3	0	0	0	0	114.8	K699 L700	K699-S702 PolarHBondContact O-N 3.41Å; K699-S702 PolarHBondContact O-OG 3.48Å; L700-S702 VanDerWaalsContact C-N 3.33Å; L700-S702 PolarHBondContact O-N 2.88Å
703	E	37.2	Very low	46.3	Very low	154 Å²	154	89 Å²	89	72%	0.72	52%	0.519	S	S	*	.	H	α-helix	trans	-102.4	-22.8	-170.7	-66	-178.3	179.3	0	0	113.6
704	L	42.7	Very low	44	Very low	128 Å²	128	93.5 Å²	93.5	67%	0.67	55%	0.55	S	S	*	.	S	Bend	trans	-89	-18.4	180	-78.9	161.3	0	0	0	114.6
705	N	31.7	Very low	42.1	Very low	136 Å²	136	96.2 Å²	96.2	73%	0.727	56%	0.559	S	S	*	*			trans	-104.1	76.3	177.8	-86.4	-19.7	0	0	0	112.2	G707	N705-G707 VanDerWaalsContact C-N 3.32Å; N705-G707 PolarHBondContact O-N 3.17Å
706	C	28.2	Very low	39.9	Very low	136 Å²	136	99.6 Å²	99.6	92%	0.919	58%	0.582	S	S	*	*			trans	-72.4	85.4	164.2	-76.9	0	0	0	0	110.7
707	G	26.2	Very low	38	Very low	54 Å²	54	104.1 Å²	104.1	56%	0.557	61%	0.606	S	S	*	*	S	Bend	trans	144.5	110.8	170.2	0	0	0	0	0	113.7	N705	N705-G707 VanDerWaalsContact C-N 3.32Å; N705-G707 PolarHBondContact O-N 3.17Å
708	N	24.1	Very low	37.1	Very low	173 Å²	173	110.2 Å²	110.2	93%	0.925	63%	0.634	S	S	*	*			trans	56.8	77.7	162.6	-57.4	-18.4	0	0	0	117.9
709	A	26.3	Very low	37.8	Very low	84 Å²	84	107.7 Å²	107.7	69%	0.694	62%	0.615	S	S	*	*			trans	-165.8	126.3	130.6	0	0	0	0	0	112.7	N711	A709-N711 VanDerWaalsContact C-N 3.26Å; A709-N711 HydrophobicContact CB-CB 4.37Å; A709-N711 PolarHBondContact O-N 3.02Å
710	L	26.6	Very low	39.3	Very low	182 Å²	182	103.6 Å²	103.6	95%	0.953	60%	0.603	S	S	*	*			trans	-68.8	85.8	154.5	-73.9	159.7	0	0	0	108.2
711	N	28.4	Very low	40.9	Very low	131 Å²	131	111.1 Å²	111.1	70%	0.701	64%	0.635	S	S	*	*			trans	-143.5	56.7	171	-98.2	-22.2	0	0	0	111.5	A709 S713	A709-N711 VanDerWaalsContact C-N 3.26Å; A709-N711 HydrophobicContact CB-CB 4.37Å; A709-N711 PolarHBondContact O-N 3.02Å; N711-S713 PolarHBondContact O-N 3.3Å
712	A	29.9	Very low	43.5	Very low	99 Å²	99	113.1 Å²	113.1	82%	0.818	65%	0.647	S	S	*	*			trans	-72.9	68.5	152.1	0	0	0	0	0	109.1	C714	A712-C714 PolarHBondContact O-N 2.88Å
713	S	33.3	Very low	45.9	Very low	78 Å²	78	112 Å²	112	55%	0.545	63%	0.633	S	S	.	*			trans	-74.4	58.8	164.5	58.9	0	0	0	0	109.8	N711 R715	N711-S713 PolarHBondContact O-N 3.3Å; S713-R715 PolarHBondContact O-N 3.15Å; S713-R715 VanDerWaalsContact O-N 3.13Å
714	C	35.5	Very low	48.3	Very low	94 Å²	94	107.5 Å²	107.5	64%	0.635	61%	0.614	S	S	*	*			trans	-53.4	123.2	157.1	-81.4	0	0	0	0	107	A712 S716	A712-C714 PolarHBondContact O-N 2.88Å; C714-S716 PolarHBondContact O-N 2.85Å
715	R	43.7	Very low	50.6	Low	100 Å²	100	106.5 Å²	106.5	38%	0.377	61%	0.609	S	S	.	*			trans	-64.8	33.6	160.3	-75.8	-168.1	-176	147.3	5.6	112.8	S713 L717 E750 W763	S713-R715 PolarHBondContact O-N 3.15Å; S713-R715 VanDerWaalsContact O-N 3.13Å; R715-L717 PolarHBondContact O-N 3.04Å; R715-E750 IonicContact CZ-OE1 3.74Å; R715-E750 IonicContact NH1-OE1 3.25Å; R715-E750 PolarHBondContact NH1-OE1 3.01Å; R715-W763 PolarHBondContact NH1-O 3.38Å
716	S	41	Very low	53.5	Low	71 Å²	71	106 Å²	106	50%	0.497	60%	0.602	S	S	.	*			trans	-82.4	57.2	155.3	178.6	0	0	0	0	109.5	C714 H718	C714-S716 PolarHBondContact O-N 2.85Å; S716-H718 VanDerWaalsContact C-N 3.34Å; S716-H718 PolarHBondContact O-N 3.21Å; S716-H718 PolarHBondContact OG-ND1 3.22Å
717	L	45.6	Very low	56.6	Low	114 Å²	114	99.9 Å²	99.9	60%	0.597	56%	0.56	S	S	*	*	S	Bend		-55	116.1	126.8	-81.7	165.7	0	0	0	103.9	R715 I719	R715-L717 PolarHBondContact O-N 3.04Å; L717-I719 PolarHBondContact O-N 2.92Å
718	H	53.6	Low	59.7	Low	177 Å²	177	100 Å²	100	82%	0.819	55%	0.548	S	S	*	.			trans	-62.5	92.2	179.2	-96.1	-3.2	0	0	0	108.1	S716 S720	S716-H718 VanDerWaalsContact C-N 3.34Å; S716-H718 PolarHBondContact O-N 3.21Å; S716-H718 PolarHBondContact OG-ND1 3.22Å; H718-S720 PolarHBondContact O-N 2.67Å; H718-S720 VanDerWaalsContact O-N 3.08Å
719	I	69.9	Low	63	Low	38 Å²	38	98.3 Å²	98.3	20%	0.195	54%	0.535	C	S	.	.			trans	-58.3	115.9	168	-58	-179.8	0	0	0	104.8	L717 I723 I724 E746 W763	L717-I719 PolarHBondContact O-N 2.92Å; I719-I723 HydrophobicContact CG2-CB 3.75Å; I719-I723 HydrophobicContact CG2-CG2 3.58Å; I719-I724 HydrophobicContact CB-CG1 4.5Å; I719-I724 HydrophobicContact CG2-CG1 3.86Å; I719-E746 HydrophobicContact CD1-CB 3.98Å; I719-W763 HydrophobicContact CD1-CB 4.49Å; I719-W763 HydrophobicContact CD1-CE3 4.43Å
720	S	81	Confident	66.3	Low	45 Å²	45	98.7 Å²	98.7	32%	0.315	52%	0.518	S	S	.	.			trans	-67.4	156.9	-171.2	88.5	0	0	0	0	110	H718 E722 I723 I724	H718-S720 PolarHBondContact O-N 2.67Å; H718-S720 VanDerWaalsContact O-N 3.08Å; S720-E722 WeakPolarHBondContact CB-OE2 3.33Å; S720-E722 PolarHBondContact O-N 3.39Å; S720-E722 VanDerWaalsContact O-N 3.16Å; S720-E722 PolarHBondContact OG-OE2 3.22Å; S720-I723 PolarHBondContact O-N 3.1Å; S720-I723 VanDerWaalsContact O-N 3.1Å; S720-I723 PolarHBondContact OG-N 3.4Å; S720-I724 PolarHBondContact O-N 3.49Å
721	K	83.2	Confident	69.6	Low	177 Å²	177	90.1 Å²	90.1	77%	0.77	47%	0.473	S	S	*	.	H	α-helix	trans	-60.7	-28.9	-178.8	-73.7	-177.5	176.1	179.3	0	111.8	L725	K721-L725 WeakPolarHBondContact O-CB 2.79Å; K721-L725 PolarHBondContact O-N 2.82Å
722	E	88.2	Confident	72.8	Confident	119 Å²	119	88.7 Å²	88.7	56%	0.556	46%	0.461	S	S	*	.	H	α-helix	trans	-64.3	-50	175.2	-56	70	-150.2	0	0	110.5	S720 I724 L725 E726	S720-E722 WeakPolarHBondContact CB-OE2 3.33Å; S720-E722 PolarHBondContact O-N 3.39Å; S720-E722 VanDerWaalsContact O-N 3.16Å; S720-E722 PolarHBondContact OG-OE2 3.22Å; E722-I724 VanDerWaalsContact C-N 3.33Å; E722-I724 PolarHBondContact O-N 2.9Å; E722-L725 WeakPolarHBondContact O-CB 2.99Å; E722-L725 PolarHBondContact O-N 3.38Å; E722-L725 VanDerWaalsContact O-N 3.08Å; E722-E726 WeakPolarHBondContact O-CG 3.36Å; E722-E726 PolarHBondContact O-N 3.1Å
723	I	88	Confident	76	Confident	61 Å²	61	89.9 Å²	89.9	31%	0.313	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-41	176.8	-61	169.8	0	0	0	110.9	I719 S720 L725 E726 L727 W763	I719-I723 HydrophobicContact CG2-CB 3.75Å; I719-I723 HydrophobicContact CG2-CG2 3.58Å; S720-I723 PolarHBondContact O-N 3.1Å; S720-I723 VanDerWaalsContact O-N 3.1Å; S720-I723 PolarHBondContact OG-N 3.4Å; I723-L725 VanDerWaalsContact C-N 3.28Å; I723-L725 PolarHBondContact O-N 3.4Å; I723-E726 PolarHBondContact O-N 3.05Å; I723-L727 HydrophobicContact CG2-CD1 4.04Å; I723-L727 HydrophobicContact CG2-CG 4.27Å; I723-L727 WeakPolarHBondContact O-CB 3.49Å; I723-L727 VanDerWaalsContact O-CG 3.29Å; I723-L727 WeakPolarHBondContact O-CG 3.42Å; I723-L727 PolarHBondContact O-N 3.3Å; I723-W763 HydrophobicContact CG2-CZ3 4.18Å
724	I	87.5	Confident	79	Confident	61 Å²	61	86.1 Å²	86.1	31%	0.313	42%	0.423	S	S	.	.	H	α-helix	trans	-61	-39.2	175.1	-66.8	173.5	0	0	0	111	I719 S720 E722 N728 I745	I719-I724 HydrophobicContact CB-CG1 4.5Å; I719-I724 HydrophobicContact CG2-CG1 3.86Å; S720-I724 PolarHBondContact O-N 3.49Å; E722-I724 VanDerWaalsContact C-N 3.33Å; E722-I724 PolarHBondContact O-N 2.9Å; I724-N728 WeakPolarHBondContact O-CB 3.32Å; I724-N728 PolarHBondContact O-N 3.42Å; I724-N728 PolarHBondContact O-ND2 2.6Å; I724-I745 HydrophobicContact CG2-CG2 4Å
725	L	90.8	Very high	81.9	Confident	106 Å²	106	81.9 Å²	81.9	56%	0.555	39%	0.394	S	S	*	.	H	α-helix	trans	-68	-43.3	177.3	-163.9	74.5	0	0	0	111.6	K721 E722 I723 N728 Q729	K721-L725 WeakPolarHBondContact O-CB 2.79Å; K721-L725 PolarHBondContact O-N 2.82Å; E722-L725 WeakPolarHBondContact O-CB 2.99Å; E722-L725 PolarHBondContact O-N 3.38Å; E722-L725 VanDerWaalsContact O-N 3.08Å; I723-L725 VanDerWaalsContact C-N 3.28Å; I723-L725 PolarHBondContact O-N 3.4Å; L725-N728 PolarHBondContact O-N 3.02Å; L725-Q729 WeakPolarHBondContact O-CG 3.42Å; L725-Q729 PolarHBondContact O-N 3Å
726	E	92.7	Very high	84.4	Confident	125 Å²	125	82.1 Å²	82.1	58%	0.584	40%	0.4	S	S	*	.	H	α-helix	trans	-61.5	-43.9	175.1	-72.1	176.7	-177	0	0	112.1	E722 I723 Q729 R730	E722-E726 WeakPolarHBondContact O-CG 3.36Å; E722-E726 PolarHBondContact O-N 3.1Å; I723-E726 PolarHBondContact O-N 3.05Å; E726-Q729 PolarHBondContact O-N 3.11Å; E726-R730 WeakPolarHBondContact O-CB 3.47Å; E726-R730 PolarHBondContact O-N 3.34Å
727	L	92.6	Very high	86.9	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.042	39%	0.392	C	S	.	.	H	α-helix	trans	-63.4	-41	175.7	-70.6	174	0	0	0	111.8	I723 Q729 R730 F731 I745 A749 W763	I723-L727 HydrophobicContact CG2-CD1 4.04Å; I723-L727 HydrophobicContact CG2-CG 4.27Å; I723-L727 WeakPolarHBondContact O-CB 3.49Å; I723-L727 VanDerWaalsContact O-CG 3.29Å; I723-L727 WeakPolarHBondContact O-CG 3.42Å; I723-L727 PolarHBondContact O-N 3.3Å; L727-Q729 VanDerWaalsContact C-N 3.34Å; L727-Q729 PolarHBondContact O-N 3.04Å; L727-R730 PolarHBondContact O-N 2.96Å; L727-F731 HydrophobicContact CB-CD2 4.47Å; L727-F731 HydrophobicContact CD2-CE2 3.97Å; L727-F731 VanDerWaalsContact O-CD2 3.28Å; L727-F731 WeakPolarHBondContact O-CD2 3.22Å; L727-F731 PolarHBondContact O-N 2.99Å; L727-I745 HydrophobicContact CB-CG1 4.07Å; L727-I745 HydrophobicContact CB-CG2 3.89Å; L727-I745 HydrophobicContact CD1-CG2 4.31Å; L727-A749 HydrophobicContact CD1-CB 4.08Å; L727-A749 HydrophobicContact CD2-CB 4.09Å; L727-W763 HydrophobicContact CD1-CE3 4.28Å; L727-W763 HydrophobicContact CD1-CH2 4.48Å; L727-W763 HydrophobicContact CD1-CZ3 4.02Å; L727-W763 HydrophobicContact CD2-CH2 4Å; L727-W763 HydrophobicContact CD2-CZ2 4.42Å; L727-W763 HydrophobicContact CD2-CZ3 4.36Å
728	N	92.4	Very high	89.3	Confident	57 Å²	57	77 Å²	77	31%	0.305	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-40.2	174.7	-88.1	-74.5	0	0	0	112.2	I724 L725 F732	I724-N728 WeakPolarHBondContact O-CB 3.32Å; I724-N728 PolarHBondContact O-N 3.42Å; I724-N728 PolarHBondContact O-ND2 2.6Å; L725-N728 PolarHBondContact O-N 3.02Å; N728-F732 WeakPolarHBondContact O-CB 3.33Å; N728-F732 PolarHBondContact O-N 3.15Å
729	Q	94.1	Very high	91.2	Very high	138 Å²	138	70.5 Å²	70.5	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-66.3	-46.3	174	-70	175.2	12.1	0	0	111.6	L725 E726 L727 F731 F732	L725-Q729 WeakPolarHBondContact O-CG 3.42Å; L725-Q729 PolarHBondContact O-N 3Å; E726-Q729 PolarHBondContact O-N 3.11Å; L727-Q729 VanDerWaalsContact C-N 3.34Å; L727-Q729 PolarHBondContact O-N 3.04Å; Q729-F731 VanDerWaalsContact C-N 3.33Å; Q729-F731 PolarHBondContact O-N 3.29Å; Q729-F732 PolarHBondContact O-N 3.25Å
730	R	94.2	Very high	92.5	Very high	92 Å²	92	70.1 Å²	70.1	35%	0.347	34%	0.34	S	S	.	.	H	α-helix	trans	-57.5	-42.8	177.9	176.8	178	170.8	176	-4.8	112.1	E726 L727 F822 D824	E726-R730 WeakPolarHBondContact O-CB 3.47Å; E726-R730 PolarHBondContact O-N 3.34Å; L727-R730 PolarHBondContact O-N 2.96Å; R730-F822 PolarHBondContact NH2-O 3.45Å; R730-F822 WeakPolarHBondContact O-CD1 3.4Å; R730-F822 VanDerWaalsContact O-CE1 3.26Å; R730-F822 WeakPolarHBondContact O-CE1 3.43Å; R730-D824 IonicContact CZ-OD2 3.86Å; R730-D824 IonicContact NH1-OD2 3.37Å; R730-D824 PolarHBondContact NH1-OD2 3.36Å; R730-D824 IonicContact NH2-OD2 2.63Å; R730-D824 PolarHBondContact NH2-OD2 2.99Å
731	F	96.2	Very high	93.2	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.009	35%	0.35	C	S	.	.	H	α-helix	trans	-98.8	4.6	-175.5	-62.3	-55	0	0	0	114.7	L727 Q729 Q733 L734 Q735 I745 L748 A749 M752 F822	L727-F731 HydrophobicContact CB-CD2 4.47Å; L727-F731 HydrophobicContact CD2-CE2 3.97Å; L727-F731 VanDerWaalsContact O-CD2 3.28Å; L727-F731 WeakPolarHBondContact O-CD2 3.22Å; L727-F731 PolarHBondContact O-N 2.99Å; Q729-F731 VanDerWaalsContact C-N 3.33Å; Q729-F731 PolarHBondContact O-N 3.29Å; F731-Q733 PolarHBondContact O-N 3.03Å; F731-L734 HydrophobicContact CB-CB 4.49Å; F731-L734 HydrophobicContact CD1-CD2 3.97Å; F731-L734 HydrophobicContact CE1-CD2 4.5Å; F731-L734 WeakPolarHBondContact O-CA 3.19Å; F731-L734 WeakPolarHBondContact O-CB 3.38Å; F731-L734 PolarHBondContact O-N 3.18Å; F731-Q735 WeakPolarHBondContact O-CG 3.5Å; F731-Q735 PolarHBondContact O-N 3.33Å; F731-I745 HydrophobicContact CB-CD1 4.25Å; F731-I745 HydrophobicContact CD2-CD1 4.23Å; F731-I745 HydrophobicContact CD2-CG1 4.17Å; F731-L748 HydrophobicContact CB-CD2 3.73Å; F731-L748 HydrophobicContact CD1-CD2 4.4Å; F731-L748 HydrophobicContact CD1-CG 4.5Å; F731-L748 HydrophobicContact CD2-CD2 4.2Å; F731-L748 HydrophobicContact CD2-CG 4.24Å; F731-L748 HydrophobicContact CG-CD2 3.89Å; F731-L748 HydrophobicContact CG-CG 4.22Å; F731-A749 HydrophobicContact CE2-CB 3.94Å; F731-A749 HydrophobicContact CZ-CB 4.48Å; F731-M752 HydrophobicContact CE1-CB 4.01Å; F731-M752 HydrophobicContact CE1-CG 3.84Å; F731-M752 HydrophobicContact CZ-CB 4.02Å; F731-M752 HydrophobicContact CZ-CG 4.17Å; F731-F822 HydrophobicContact CD1-CB 4.12Å; F731-F822 HydrophobicContact CD1-CD1 4.12Å; F731-F822 HydrophobicContact CD1-CG 4.41Å; F731-F822 HydrophobicContact CE1-CB 4Å
732	F	95.9	Very high	93.8	Very high	101 Å²	101	66.6 Å²	66.6	44%	0.443	32%	0.317	S	S	.	.	H	α-helix	trans	-51	-53	-177.8	-177.2	-94.3	0	0	0	112.6	N728 Q729 L734 Q735 E736	N728-F732 WeakPolarHBondContact O-CB 3.33Å; N728-F732 PolarHBondContact O-N 3.15Å; Q729-F732 PolarHBondContact O-N 3.25Å; F732-L734 VanDerWaalsContact C-N 3.28Å; F732-L734 PolarHBondContact O-N 3.4Å; F732-Q735 PolarHBondContact O-N 2.71Å; F732-E736 VanDerWaalsContact CE1-CD 3.42Å; F732-E736 HydrophobicContact CE1-CG 4.08Å; F732-E736 VanDerWaalsContact CE1-OE2 3.27Å; F732-E736 WeakPolarHBondContact CE1-OE2 3.45Å; F732-E736 HydrophobicContact CZ-CG 4.36Å; F732-E736 PolarHBondContact O-N 3.09Å
733	Q	95.9	Very high	94	Very high	123 Å²	123	68.4 Å²	68.4	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-63.9	-30.7	177.8	-66.7	179.5	0.7	0	0	113.2	F731 K737 F822	F731-Q733 PolarHBondContact O-N 3.03Å; Q733-K737 WeakPolarHBondContact O-CB 3.43Å; Q733-K737 VanDerWaalsContact O-CG 3.29Å; Q733-K737 WeakPolarHBondContact O-CG 3.36Å; Q733-K737 PolarHBondContact O-N 2.71Å; Q733-F822 HydrophobicContact CB-CE1 4.49Å; Q733-F822 HydrophobicContact CB-CZ 3.91Å
734	L	96.4	Very high	94	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-71.7	-41.7	175.9	-178.7	57.9	0	0	0	110.7	F731 F732 E736 K737 L738 L748 M752 I819 F822	F731-L734 HydrophobicContact CB-CB 4.49Å; F731-L734 HydrophobicContact CD1-CD2 3.97Å; F731-L734 HydrophobicContact CE1-CD2 4.5Å; F731-L734 WeakPolarHBondContact O-CA 3.19Å; F731-L734 WeakPolarHBondContact O-CB 3.38Å; F731-L734 PolarHBondContact O-N 3.18Å; F732-L734 VanDerWaalsContact C-N 3.28Å; F732-L734 PolarHBondContact O-N 3.4Å; L734-E736 VanDerWaalsContact C-N 3.32Å; L734-E736 PolarHBondContact O-N 3.32Å; L734-K737 PolarHBondContact O-N 2.71Å; L734-L738 HydrophobicContact CD1-CD1 4.25Å; L734-L738 HydrophobicContact CD1-CG 4.13Å; L734-L738 HydrophobicContact CG-CD1 3.99Å; L734-L738 HydrophobicContact CG-CG 4.34Å; L734-L738 WeakPolarHBondContact O-CB 3.38Å; L734-L738 VanDerWaalsContact O-CG 3.23Å; L734-L738 WeakPolarHBondContact O-CG 3.46Å; L734-L738 PolarHBondContact O-N 2.72Å; L734-L748 HydrophobicContact CD2-CD1 4.04Å; L734-L748 HydrophobicContact CD2-CD2 4.23Å; L734-L748 HydrophobicContact CD2-CG 4.4Å; L734-M752 HydrophobicContact CD2-CE 4.02Å; L734-M752 HydrophobicContact CD2-CG 4.09Å; L734-M752 HydrophobicContact CD2-SD 4.08Å; L734-I819 HydrophobicContact CD1-CB 4.36Å; L734-I819 HydrophobicContact CD1-CG1 3.96Å; L734-I819 HydrophobicContact CD1-CG2 4.13Å; L734-F822 HydrophobicContact CB-CD1 4.29Å; L734-F822 HydrophobicContact CB-CD2 3.95Å; L734-F822 HydrophobicContact CB-CE1 4.37Å; L734-F822 HydrophobicContact CB-CE2 4.04Å; L734-F822 HydrophobicContact CB-CG 4.1Å; L734-F822 HydrophobicContact CB-CZ 4.26Å; L734-F822 HydrophobicContact CD1-CD2 4.17Å; L734-F822 HydrophobicContact CD2-CB 3.92Å; L734-F822 HydrophobicContact CD2-CD2 4.18Å; L734-F822 HydrophobicContact CD2-CG 4.04Å; L734-F822 HydrophobicContact CG-CD2 4.33Å
735	Q	97.2	Very high	94.3	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.019	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-38.8	174.8	-67.3	-173.2	101.1	0	0	111.8	F731 F732 G739 Y740 Y741 F742 I745 L748	F731-Q735 WeakPolarHBondContact O-CG 3.5Å; F731-Q735 PolarHBondContact O-N 3.33Å; F732-Q735 PolarHBondContact O-N 2.71Å; Q735-G739 WeakPolarHBondContact O-CA 3.31Å; Q735-G739 PolarHBondContact O-N 3.29Å; Q735-Y740 WeakPolarHBondContact CA-O 3.19Å; Q735-Y740 WeakPolarHBondContact CB-O 3.32Å; Q735-Y740 PolarHBondContact O-N 3.29Å; Q735-Y740 VanDerWaalsContact O-N 3.15Å; Q735-Y741 HydrophobicContact CB-CD1 3.85Å; Q735-Y741 HydrophobicContact CB-CE1 4.04Å; Q735-F742 HydrophobicContact CG-CD2 4.48Å; Q735-I745 HydrophobicContact CG-CD1 4.48Å; Q735-L748 HydrophobicContact CG-CD2 3.96Å
736	E	95.5	Very high	94.4	Very high	106 Å²	106	61.4 Å²	61.4	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-47	170.9	-72.4	-172.1	119.2	0	0	112.6	F732 L734 G739	F732-E736 VanDerWaalsContact CE1-CD 3.42Å; F732-E736 HydrophobicContact CE1-CG 4.08Å; F732-E736 VanDerWaalsContact CE1-OE2 3.27Å; F732-E736 WeakPolarHBondContact CE1-OE2 3.45Å; F732-E736 HydrophobicContact CZ-CG 4.36Å; F732-E736 PolarHBondContact O-N 3.09Å; L734-E736 VanDerWaalsContact C-N 3.32Å; L734-E736 PolarHBondContact O-N 3.32Å; E736-G739 WeakPolarHBondContact O-CA 3.25Å; E736-G739 PolarHBondContact O-N 3.07Å
737	K	94.8	Very high	94.4	Very high	76 Å²	76	57 Å²	57	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-62.3	-42.9	177.7	-78.5	166.5	170.9	-74.4	0	112.6	Q733 L734 G739 H817 D818 F896	Q733-K737 WeakPolarHBondContact O-CB 3.43Å; Q733-K737 VanDerWaalsContact O-CG 3.29Å; Q733-K737 WeakPolarHBondContact O-CG 3.36Å; Q733-K737 PolarHBondContact O-N 2.71Å; L734-K737 PolarHBondContact O-N 2.71Å; K737-G739 PolarHBondContact O-N 3.22Å; K737-H817 WeakPolarHBondContact CD-O 3.42Å; K737-H817 PolarHBondContact NZ-O 2.93Å; K737-D818 IonicContact NZ-OD2 3.15Å; K737-F896 WeakPolarHBondContact O-CZ 3.44Å
738	L	95.3	Very high	94.6	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-31.3	172	-66.7	171.9	0	0	0	110.9	L734 Y740 F742 L748 I874 I878 I892 R895 F896	L734-L738 HydrophobicContact CD1-CD1 4.25Å; L734-L738 HydrophobicContact CD1-CG 4.13Å; L734-L738 HydrophobicContact CG-CD1 3.99Å; L734-L738 HydrophobicContact CG-CG 4.34Å; L734-L738 WeakPolarHBondContact O-CB 3.38Å; L734-L738 VanDerWaalsContact O-CG 3.23Å; L734-L738 WeakPolarHBondContact O-CG 3.46Å; L734-L738 PolarHBondContact O-N 2.72Å; L738-Y740 VanDerWaalsContact C-N 3.28Å; L738-F742 HydrophobicContact CD1-CE2 4.36Å; L738-L748 HydrophobicContact CD1-CD1 4.3Å; L738-I874 HydrophobicContact CD1-CG2 3.87Å; L738-I874 HydrophobicContact CD2-CG2 3.75Å; L738-I874 HydrophobicContact CG-CG2 4.5Å; L738-I878 HydrophobicContact CD1-CD1 4.47Å; L738-I892 WeakPolarHBondContact O-CD1 3.23Å; L738-R895 PolarHBondContact O-NH1 2.91Å; L738-F896 HydrophobicContact CD2-CE2 3.89Å; L738-F896 HydrophobicContact CD2-CZ 3.9Å
739	G	94.5	Very high	94.7	Very high	39 Å²	39	54 Å²	54	40%	0.402	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	39.2	-168.8	0	0	0	0	0	111.7	Q735 E736 K737	Q735-G739 WeakPolarHBondContact O-CA 3.31Å; Q735-G739 PolarHBondContact O-N 3.29Å; E736-G739 WeakPolarHBondContact O-CA 3.25Å; E736-G739 PolarHBondContact O-N 3.07Å; K737-G739 PolarHBondContact O-N 3.22Å
740	Y	96.5	Very high	94.7	Very high	31 Å²	31	48.3 Å²	48.3	12%	0.122	22%	0.224	C	C	.	.			trans	-142.7	128.1	175.3	-175.3	-93.9	0	0	0	108.8	Q735 L738 F742 K743 I878 D881 S882 V888	Q735-Y740 WeakPolarHBondContact CA-O 3.19Å; Q735-Y740 WeakPolarHBondContact CB-O 3.32Å; Q735-Y740 PolarHBondContact O-N 3.29Å; Q735-Y740 VanDerWaalsContact O-N 3.15Å; L738-Y740 VanDerWaalsContact C-N 3.28Å; Y740-F742 AromaticContact CD1-CD2 3.81Å; Y740-F742 HydrophobicContact CD1-CD2 3.81Å; Y740-F742 AromaticContact CD1-CE2 3.85Å; Y740-F742 HydrophobicContact CD1-CE2 3.85Å; Y740-F742 HydrophobicContact CD1-CG 4.29Å; Y740-F742 HydrophobicContact CD1-CZ 4.37Å; Y740-F742 HydrophobicContact CE1-CD1 4.32Å; Y740-F742 HydrophobicContact CE1-CD2 4.12Å; Y740-F742 HydrophobicContact CE1-CE2 4.33Å; Y740-F742 HydrophobicContact CE1-CG 4.12Å; Y740-K743 PolarHBondContact OH-NZ 3.46Å; Y740-K743 VanDerWaalsContact OH-NZ 3.17Å; Y740-I878 HydrophobicContact CD1-CD1 4.48Å; Y740-I878 HydrophobicContact CD1-CG1 3.93Å; Y740-I878 HydrophobicContact CD1-CG2 4.23Å; Y740-I878 HydrophobicContact CD2-CG2 4.2Å; Y740-I878 HydrophobicContact CE1-CG1 4.4Å; Y740-I878 HydrophobicContact CE1-CG2 4.31Å; Y740-I878 HydrophobicContact CE2-CG2 4.28Å; Y740-I878 HydrophobicContact CG-CG1 4.35Å; Y740-I878 HydrophobicContact CG-CG2 4.18Å; Y740-D881 HydrophobicContact CE1-CB 4.24Å; Y740-D881 PolarHBondContact OH-OD2 3.15Å; Y740-S882 PolarHBondContact OH-N 2.86Å; Y740-V888 HydrophobicContact CD2-CG1 3.72Å; Y740-V888 HydrophobicContact CE2-CG1 3.7Å
741	Y	96.5	Very high	94.8	Very high	132 Å²	132	43.9 Å²	43.9	52%	0.518	21%	0.208	S	C	.	.			trans	-103.6	122	176	-67.5	-82.8	0	0	0	109.3	Q735	Q735-Y741 HydrophobicContact CB-CD1 3.85Å; Q735-Y741 HydrophobicContact CB-CE1 4.04Å
742	F	94.3	Very high	94.8	Very high	16 Å²	16	43.8 Å²	43.8	7%	0.07	21%	0.207	C	C	.	.			trans	-73.3	145	-178.7	-80.5	-101.7	0	0	0	111.5	Q735 L738 Y740 I745 L747 L748 A877 I878 D881	Q735-F742 HydrophobicContact CG-CD2 4.48Å; L738-F742 HydrophobicContact CD1-CE2 4.36Å; Y740-F742 AromaticContact CD1-CD2 3.81Å; Y740-F742 HydrophobicContact CD1-CD2 3.81Å; Y740-F742 AromaticContact CD1-CE2 3.85Å; Y740-F742 HydrophobicContact CD1-CE2 3.85Å; Y740-F742 HydrophobicContact CD1-CG 4.29Å; Y740-F742 HydrophobicContact CD1-CZ 4.37Å; Y740-F742 HydrophobicContact CE1-CD1 4.32Å; Y740-F742 HydrophobicContact CE1-CD2 4.12Å; Y740-F742 HydrophobicContact CE1-CE2 4.33Å; Y740-F742 HydrophobicContact CE1-CG 4.12Å; F742-I745 HydrophobicContact CB-CD1 4.27Å; F742-L747 HydrophobicContact CD1-CB 4.17Å; F742-L747 HydrophobicContact CE1-CB 4.1Å; F742-L748 HydrophobicContact CD1-CB 4.27Å; F742-L748 HydrophobicContact CD2-CB 4.01Å; F742-L748 HydrophobicContact CD2-CD2 3.92Å; F742-L748 HydrophobicContact CD2-CG 4.44Å; F742-L748 HydrophobicContact CE1-CB 4.15Å; F742-L748 HydrophobicContact CE2-CB 3.88Å; F742-L748 HydrophobicContact CE2-CD1 3.92Å; F742-L748 HydrophobicContact CE2-CD2 3.87Å; F742-L748 HydrophobicContact CE2-CG 4.11Å; F742-L748 HydrophobicContact CG-CB 4.2Å; F742-L748 HydrophobicContact CZ-CB 3.93Å; F742-L748 HydrophobicContact CZ-CD1 4.08Å; F742-L748 HydrophobicContact CZ-CG 4.44Å; F742-A877 HydrophobicContact CE1-CB 3.81Å; F742-A877 HydrophobicContact CZ-CB 4.01Å; F742-I878 HydrophobicContact CE1-CG1 4.36Å; F742-I878 HydrophobicContact CE2-CG1 3.96Å; F742-I878 HydrophobicContact CZ-CG1 3.53Å; F742-D881 HydrophobicContact CD1-CB 3.82Å; F742-D881 HydrophobicContact CE1-CB 4.11Å
743	K	91.9	Very high	94.7	Very high	156 Å²	156	39.1 Å²	39.1	68%	0.678	19%	0.187	S	C	*	.	S	Bend	trans	-84.8	-41.3	169.4	-56.2	174.5	-149.7	72.7	0	109.9	Y740 D881	Y740-K743 PolarHBondContact OH-NZ 3.46Å; Y740-K743 VanDerWaalsContact OH-NZ 3.17Å; K743-D881 WeakPolarHBondContact CA-OD1 3.47Å; K743-D881 WeakPolarHBondContact CB-OD1 3.36Å; K743-D881 PolarHBondContact N-OD1 3.42Å; K743-D881 PolarHBondContact N-OD2 3.4Å; K743-D881 PolarHBondContact NZ-O 3.44Å; K743-D881 IonicContact NZ-OD2 3.54Å; K743-D881 PolarHBondContact NZ-OD2 3.19Å
744	G	89.9	Confident	94.6	Very high	8 Å²	8	34.2 Å²	34.2	8%	0.082	16%	0.164	C	C	.	.	S	Bend	trans	-106.3	98.7	167.5	0	0	0	0	0	110.5	E746 L747 D881	G744-E746 VanDerWaalsContact C-OE2 3.22Å; G744-E746 VanDerWaalsContact CA-CD 3.46Å; G744-E746 VanDerWaalsContact CA-OE1 3.25Å; G744-E746 WeakPolarHBondContact CA-OE1 3.42Å; G744-E746 VanDerWaalsContact CA-OE2 3.32Å; G744-E746 WeakPolarHBondContact CA-OE2 3.44Å; G744-E746 PolarHBondContact O-N 3.19Å; G744-L747 WeakPolarHBondContact O-CB 3.19Å; G744-L747 PolarHBondContact O-N 3.16Å; G744-L747 VanDerWaalsContact O-N 3.16Å; G744-D881 PolarHBondContact N-OD1 3.44Å
745	I	93.6	Very high	94.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-22.8	-178.4	-163.7	62	0	0	0	112.3	I724 L727 F731 Q735 F742 L747 L748 A749	I724-I745 HydrophobicContact CG2-CG2 4Å; L727-I745 HydrophobicContact CB-CG1 4.07Å; L727-I745 HydrophobicContact CB-CG2 3.89Å; L727-I745 HydrophobicContact CD1-CG2 4.31Å; F731-I745 HydrophobicContact CB-CD1 4.25Å; F731-I745 HydrophobicContact CD2-CD1 4.23Å; F731-I745 HydrophobicContact CD2-CG1 4.17Å; Q735-I745 HydrophobicContact CG-CD1 4.48Å; F742-I745 HydrophobicContact CB-CD1 4.27Å; I745-L747 PolarHBondContact O-N 3.5Å; I745-L748 HydrophobicContact CD1-CB 4.33Å; I745-L748 HydrophobicContact CD1-CD2 4.08Å; I745-L748 WeakPolarHBondContact O-CB 3.22Å; I745-L748 PolarHBondContact O-N 2.76Å; I745-L748 VanDerWaalsContact O-N 3.1Å; I745-A749 PolarHBondContact O-N 3.04Å
746	E	91.7	Very high	94	Very high	71 Å²	71	41 Å²	41	33%	0.332	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-28.3	173.6	62.6	-79	-177.9	0	0	113.4	I719 G744 A749 E750	I719-E746 HydrophobicContact CD1-CB 3.98Å; G744-E746 VanDerWaalsContact C-OE2 3.22Å; G744-E746 VanDerWaalsContact CA-CD 3.46Å; G744-E746 VanDerWaalsContact CA-OE1 3.25Å; G744-E746 WeakPolarHBondContact CA-OE1 3.42Å; G744-E746 VanDerWaalsContact CA-OE2 3.32Å; G744-E746 WeakPolarHBondContact CA-OE2 3.44Å; G744-E746 PolarHBondContact O-N 3.19Å; E746-A749 WeakPolarHBondContact O-CB 3.35Å; E746-A749 PolarHBondContact O-N 2.9Å; E746-E750 PolarHBondContact O-N 2.82Å
747	L	93.2	Very high	93.7	Very high	33 Å²	33	36.3 Å²	36.3	17%	0.173	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-38.2	173.1	-69.4	170.2	0	0	0	111.7	F742 G744 I745 E750 A751 A877 V880 D881	F742-L747 HydrophobicContact CD1-CB 4.17Å; F742-L747 HydrophobicContact CE1-CB 4.1Å; G744-L747 WeakPolarHBondContact O-CB 3.19Å; G744-L747 PolarHBondContact O-N 3.16Å; G744-L747 VanDerWaalsContact O-N 3.16Å; I745-L747 PolarHBondContact O-N 3.5Å; L747-E750 PolarHBondContact O-N 3.2Å; L747-A751 WeakPolarHBondContact O-CB 3.44Å; L747-A751 PolarHBondContact O-N 2.82Å; L747-A877 HydrophobicContact CB-CB 4.27Å; L747-V880 HydrophobicContact CD1-CB 4.39Å; L747-V880 HydrophobicContact CD1-CG1 3.92Å; L747-V880 HydrophobicContact CD2-CG1 4.15Å; L747-D881 HydrophobicContact CD1-CB 3.88Å
748	L	95.8	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.6	-35.6	172.5	-175.1	57.9	0	0	0	110.7	F731 L734 Q735 L738 F742 I745 A751 M752 I874	F731-L748 HydrophobicContact CB-CD2 3.73Å; F731-L748 HydrophobicContact CD1-CD2 4.4Å; F731-L748 HydrophobicContact CD1-CG 4.5Å; F731-L748 HydrophobicContact CD2-CD2 4.2Å; F731-L748 HydrophobicContact CD2-CG 4.24Å; F731-L748 HydrophobicContact CG-CD2 3.89Å; F731-L748 HydrophobicContact CG-CG 4.22Å; L734-L748 HydrophobicContact CD2-CD1 4.04Å; L734-L748 HydrophobicContact CD2-CD2 4.23Å; L734-L748 HydrophobicContact CD2-CG 4.4Å; Q735-L748 HydrophobicContact CG-CD2 3.96Å; L738-L748 HydrophobicContact CD1-CD1 4.3Å; F742-L748 HydrophobicContact CD1-CB 4.27Å; F742-L748 HydrophobicContact CD2-CB 4.01Å; F742-L748 HydrophobicContact CD2-CD2 3.92Å; F742-L748 HydrophobicContact CD2-CG 4.44Å; F742-L748 HydrophobicContact CE1-CB 4.15Å; F742-L748 HydrophobicContact CE2-CB 3.88Å; F742-L748 HydrophobicContact CE2-CD1 3.92Å; F742-L748 HydrophobicContact CE2-CD2 3.87Å; F742-L748 HydrophobicContact CE2-CG 4.11Å; F742-L748 HydrophobicContact CG-CB 4.2Å; F742-L748 HydrophobicContact CZ-CB 3.93Å; F742-L748 HydrophobicContact CZ-CD1 4.08Å; F742-L748 HydrophobicContact CZ-CG 4.44Å; I745-L748 HydrophobicContact CD1-CB 4.33Å; I745-L748 HydrophobicContact CD1-CD2 4.08Å; I745-L748 WeakPolarHBondContact O-CB 3.22Å; I745-L748 PolarHBondContact O-N 2.76Å; I745-L748 VanDerWaalsContact O-N 3.1Å; L748-A751 PolarHBondContact O-N 3.46Å; L748-M752 HydrophobicContact CD1-CG 4.08Å; L748-M752 HydrophobicContact CG-CG 4.43Å; L748-M752 WeakPolarHBondContact O-CB 3.33Å; L748-M752 VanDerWaalsContact O-CG 3.25Å; L748-M752 WeakPolarHBondContact O-CG 3.3Å; L748-M752 PolarHBondContact O-N 3.36Å; L748-I874 HydrophobicContact CD1-CG1 4.37Å
749	A	95	Very high	93	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-43.9	172.6	0	0	0	0	0	111.9	L727 F731 I745 E746 M752 T753 W763	L727-A749 HydrophobicContact CD1-CB 4.08Å; L727-A749 HydrophobicContact CD2-CB 4.09Å; F731-A749 HydrophobicContact CE2-CB 3.94Å; F731-A749 HydrophobicContact CZ-CB 4.48Å; I745-A749 PolarHBondContact O-N 3.04Å; E746-A749 WeakPolarHBondContact O-CB 3.35Å; E746-A749 PolarHBondContact O-N 2.9Å; A749-M752 PolarHBondContact O-N 3.15Å; A749-T753 WeakPolarHBondContact O-CB 3.47Å; A749-T753 PolarHBondContact O-N 3.22Å; A749-T753 PolarHBondContact O-OG1 3.15Å; A749-W763 HydrophobicContact CB-CD2 3.87Å; A749-W763 HydrophobicContact CB-CE3 4.48Å; A749-W763 HydrophobicContact CB-CG 4.02Å; A749-W763 HydrophobicContact CB-CZ2 4.26Å; A749-W763 PolarHBondContact O-NE1 2.95Å
750	E	94.3	Very high	92.6	Very high	19 Å²	19	44.1 Å²	44.1	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-49.9	175.4	-174.3	169	-148.6	0	0	111.9	R715 E746 L747 M752 T753 N765 Y766 L769	R715-E750 IonicContact CZ-OE1 3.74Å; R715-E750 IonicContact NH1-OE1 3.25Å; R715-E750 PolarHBondContact NH1-OE1 3.01Å; E746-E750 PolarHBondContact O-N 2.82Å; L747-E750 PolarHBondContact O-N 3.2Å; E750-M752 VanDerWaalsContact C-N 3.27Å; E750-M752 PolarHBondContact O-N 3.37Å; E750-T753 PolarHBondContact O-N 2.89Å; E750-N765 VanDerWaalsContact CG-O 3.27Å; E750-N765 WeakPolarHBondContact CG-O 3.33Å; E750-N765 CarbonylContact O-C 3.13Å; E750-Y766 WeakPolarHBondContact O-CA 3.5Å; E750-Y766 PolarHBondContact O-N 2.94Å; E750-L769 HydrophobicContact CB-CD1 4Å; E750-L769 HydrophobicContact CG-CD1 3.82Å
751	A	96.2	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-36.2	175.8	0	0	0	0	0	113.4	L747 L748 T753 Y766 L769 S873 I874 A877	L747-A751 WeakPolarHBondContact O-CB 3.44Å; L747-A751 PolarHBondContact O-N 2.82Å; L748-A751 PolarHBondContact O-N 3.46Å; A751-T753 VanDerWaalsContact C-N 3.32Å; A751-T753 PolarHBondContact O-N 3.49Å; A751-Y766 WeakPolarHBondContact O-CB 3.43Å; A751-L769 HydrophobicContact CB-CD1 4.17Å; A751-S873 WeakPolarHBondContact CA-OG 3.4Å; A751-S873 WeakPolarHBondContact CB-OG 3.34Å; A751-S873 PolarHBondContact O-OG 3.1Å; A751-I874 HydrophobicContact CB-CG1 4.24Å; A751-A877 HydrophobicContact CB-CB 4Å
752	M	96	Very high	91.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.2	178	-60.4	-49	-76.9	0	0	113.8	F731 L734 L748 A749 E750 I819 F822 I823 D824 V870 I874	F731-M752 HydrophobicContact CE1-CB 4.01Å; F731-M752 HydrophobicContact CE1-CG 3.84Å; F731-M752 HydrophobicContact CZ-CB 4.02Å; F731-M752 HydrophobicContact CZ-CG 4.17Å; L734-M752 HydrophobicContact CD2-CE 4.02Å; L734-M752 HydrophobicContact CD2-CG 4.09Å; L734-M752 HydrophobicContact CD2-SD 4.08Å; L748-M752 HydrophobicContact CD1-CG 4.08Å; L748-M752 HydrophobicContact CG-CG 4.43Å; L748-M752 WeakPolarHBondContact O-CB 3.33Å; L748-M752 VanDerWaalsContact O-CG 3.25Å; L748-M752 WeakPolarHBondContact O-CG 3.3Å; L748-M752 PolarHBondContact O-N 3.36Å; A749-M752 PolarHBondContact O-N 3.15Å; E750-M752 VanDerWaalsContact C-N 3.27Å; E750-M752 PolarHBondContact O-N 3.37Å; M752-I819 HydrophobicContact CE-CG2 3.72Å; M752-I819 HydrophobicContact SD-CG2 4.48Å; M752-F822 HydrophobicContact CE-CB 3.78Å; M752-I823 HydrophobicContact CE-CB 4.42Å; M752-I823 HydrophobicContact CE-CG1 3.56Å; M752-I823 CarbonylContact O-C 3.29Å; M752-I823 WeakPolarHBondContact O-CA 3.29Å; M752-D824 PolarHBondContact O-N 3.17Å; M752-V870 HydrophobicContact CE-CG1 3.98Å; M752-V870 HydrophobicContact SD-CG1 3.78Å; M752-I874 HydrophobicContact CE-CD1 4.42Å; M752-I874 HydrophobicContact SD-CD1 3.54Å; M752-I874 VanDerWaalsContact SD-CD1 3.54Å; M752-I874 HydrophobicContact SD-CG1 3.73Å
753	T	94.3	Very high	91.1	Very high	2 Å²	2	47 Å²	47	1%	0.012	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-104.4	111.5	-173.7	-61.7	0	0	0	0	112.9	A749 E750 A751 K760 W763 G764 N765 Y766	A749-T753 WeakPolarHBondContact O-CB 3.47Å; A749-T753 PolarHBondContact O-N 3.22Å; A749-T753 PolarHBondContact O-OG1 3.15Å; E750-T753 PolarHBondContact O-N 2.89Å; A751-T753 VanDerWaalsContact C-N 3.32Å; A751-T753 PolarHBondContact O-N 3.49Å; T753-K760 HydrophobicContact CG2-CB 3.96Å; T753-W763 PolarHBondContact OG1-NE1 3.35Å; T753-G764 WeakPolarHBondContact CG2-O 3.27Å; T753-N765 VanDerWaalsContact O-CA 3.32Å; T753-N765 WeakPolarHBondContact O-CA 3.39Å; T753-N765 WeakPolarHBondContact O-CB 3.3Å; T753-Y766 WeakPolarHBondContact O-CD1 3.3Å; T753-Y766 PolarHBondContact O-N 2.92Å
754	H	93.6	Very high	90.9	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.097	19%	0.194	C	C	.	.			trans	-74.8	150.1	174.3	174	-104.8	0	0	0	111.8	S756 S757 Y766 D824 F825	H754-S756 PolarHBondContact CE1-OG 3.04Å; H754-S756 WeakPolarHBondContact ND1-CB 3.45Å; H754-S756 PolarHBondContact ND1-N 3.46Å; H754-S756 VanDerWaalsContact ND1-N 3.13Å; H754-S756 PolarHBondContact ND1-OG 3.22Å; H754-S756 PolarHBondContact O-N 2.96Å; H754-S757 WeakPolarHBondContact O-CB 3.49Å; H754-S757 PolarHBondContact O-N 2.79Å; H754-Y766 HydrophobicContact CB-CD1 4.37Å; H754-Y766 HydrophobicContact CB-CE1 3.9Å; H754-Y766 AromaticContact CD2-CE1 3.66Å; H754-Y766 AromaticContact CD2-CZ 4Å; H754-D824 PolarHBondContact N-O 3.37Å; H754-F825 HydrophobicContact CB-CB 4.04Å
755	Q	90	Very high	91	Very high	98 Å²	98	40.9 Å²	40.9	46%	0.458	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.3	-179.6	57.8	163.8	-16.1	0	0	115.9	K760	Q755-K760 WeakPolarHBondContact O-CD 3.35Å; Q755-K760 WeakPolarHBondContact O-CE 3.28Å; Q755-K760 PolarHBondContact O-NZ 2.82Å
756	S	90.2	Very high	91.1	Very high	49 Å²	49	41.1 Å²	41.1	34%	0.343	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-7	173.8	74.7	0	0	0	0	114.9	H754 G826	H754-S756 PolarHBondContact CE1-OG 3.04Å; H754-S756 WeakPolarHBondContact ND1-CB 3.45Å; H754-S756 PolarHBondContact ND1-N 3.46Å; H754-S756 VanDerWaalsContact ND1-N 3.13Å; H754-S756 PolarHBondContact ND1-OG 3.22Å; H754-S756 PolarHBondContact O-N 2.96Å; S756-G826 PolarHBondContact OG-N 3.46Å; S756-G826 VanDerWaalsContact OG-N 3.14Å
757	S	90.5	Very high	91.3	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.049	19%	0.192	C	C	.	.			trans	-72.3	147.3	173.8	-178.6	0	0	0	0	111.2	H754 N759 K760 D824	H754-S757 WeakPolarHBondContact O-CB 3.49Å; H754-S757 PolarHBondContact O-N 2.79Å; S757-N759 VanDerWaalsContact C-N 3.32Å; S757-N759 PolarHBondContact OG-N 2.83Å; S757-N759 VanDerWaalsContact OG-N 3.08Å; S757-K760 WeakPolarHBondContact O-CD 3.43Å; S757-K760 VanDerWaalsContact O-CG 3.27Å; S757-K760 WeakPolarHBondContact O-CG 3.34Å; S757-D824 VanDerWaalsContact CB-OD1 3.28Å; S757-D824 WeakPolarHBondContact CB-OD1 3.43Å; S757-D824 PolarHBondContact OG-OD1 2.94Å
758	I	88.5	Confident	91.3	Very high	135 Å²	135	38.7 Å²	38.7	69%	0.692	19%	0.186	S	C	*	.	S	Bend	trans	-71.9	-31.7	170.8	-59.9	170.7	0	0	0	110	K760 Q761	I758-K760 PolarHBondContact O-N 3.13Å; I758-Q761 WeakPolarHBondContact O-CG 3.29Å; I758-Q761 PolarHBondContact O-N 2.81Å
759	N	87.5	Confident	91.3	Very high	49 Å²	49	38.7 Å²	38.7	26%	0.262	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.5	-175.6	-68.1	-26.2	0	0	0	113.6	S757 Q761 Y762 W763 D824	S757-N759 VanDerWaalsContact C-N 3.32Å; S757-N759 PolarHBondContact OG-N 2.83Å; S757-N759 VanDerWaalsContact OG-N 3.08Å; N759-Q761 PolarHBondContact O-N 3.31Å; N759-Y762 HydrophobicContact CB-CD2 4.33Å; N759-Y762 WeakPolarHBondContact O-CD2 3.42Å; N759-Y762 PolarHBondContact O-N 2.87Å; N759-W763 HydrophobicContact CB-CH2 4.22Å; N759-W763 HydrophobicContact CB-CZ2 3.64Å; N759-D824 PolarHBondContact ND2-OD2 3.32Å
760	K	86	Confident	91.4	Very high	96 Å²	96	39.2 Å²	39.2	42%	0.417	19%	0.189	S	C	.	.	H	α-helix	trans	-56.6	-20.8	175.7	76.6	-175.1	175.9	174.7	0	114.5	T753 Q755 S757 I758 Y762 G764 N765	T753-K760 HydrophobicContact CG2-CB 3.96Å; Q755-K760 WeakPolarHBondContact O-CD 3.35Å; Q755-K760 WeakPolarHBondContact O-CE 3.28Å; Q755-K760 PolarHBondContact O-NZ 2.82Å; S757-K760 WeakPolarHBondContact O-CD 3.43Å; S757-K760 VanDerWaalsContact O-CG 3.27Å; S757-K760 WeakPolarHBondContact O-CG 3.34Å; I758-K760 PolarHBondContact O-N 3.13Å; K760-Y762 VanDerWaalsContact C-N 3.25Å; K760-Y762 PolarHBondContact O-N 3.43Å; K760-G764 VanDerWaalsContact CA-O 3.23Å; K760-G764 WeakPolarHBondContact CA-O 3.5Å; K760-G764 WeakPolarHBondContact CB-O 3.28Å; K760-G764 VanDerWaalsContact O-CA 3.26Å; K760-G764 WeakPolarHBondContact O-CA 3.3Å; K760-G764 PolarHBondContact O-N 3.41Å; K760-N765 HydrophobicContact CB-CB 4.34Å
761	Q	84.7	Confident	91.5	Very high	116 Å²	116	38.4 Å²	38.4	54%	0.542	19%	0.185	S	C	.	.	H	α-helix	trans	-68.3	-21.6	176.2	73	-172.7	-0.3	0	0	113.7	I758 N759	I758-Q761 WeakPolarHBondContact O-CG 3.29Å; I758-Q761 PolarHBondContact O-N 2.81Å; N759-Q761 PolarHBondContact O-N 3.31Å
762	Y	84.3	Confident	91.5	Very high	102 Å²	102	38.4 Å²	38.4	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-89.3	-48.5	-175.7	-59.9	-61.4	0	0	0	112.6	N759 K760	N759-Y762 HydrophobicContact CB-CD2 4.33Å; N759-Y762 WeakPolarHBondContact O-CD2 3.42Å; N759-Y762 PolarHBondContact O-N 2.87Å; K760-Y762 VanDerWaalsContact C-N 3.25Å; K760-Y762 PolarHBondContact O-N 3.43Å
763	W	86.1	Confident	91.6	Very high	23 Å²	23	38.4 Å²	38.4	9%	0.087	19%	0.185	C	C	.	.	H	α-helix	trans	-123	-18.7	-174.6	42.1	75.3	0	0	0	114.5	R715 I719 I723 L727 A749 T753 N759	R715-W763 PolarHBondContact NH1-O 3.38Å; I719-W763 HydrophobicContact CD1-CB 4.49Å; I719-W763 HydrophobicContact CD1-CE3 4.43Å; I723-W763 HydrophobicContact CG2-CZ3 4.18Å; L727-W763 HydrophobicContact CD1-CE3 4.28Å; L727-W763 HydrophobicContact CD1-CH2 4.48Å; L727-W763 HydrophobicContact CD1-CZ3 4.02Å; L727-W763 HydrophobicContact CD2-CH2 4Å; L727-W763 HydrophobicContact CD2-CZ2 4.42Å; L727-W763 HydrophobicContact CD2-CZ3 4.36Å; A749-W763 HydrophobicContact CB-CD2 3.87Å; A749-W763 HydrophobicContact CB-CE3 4.48Å; A749-W763 HydrophobicContact CB-CG 4.02Å; A749-W763 HydrophobicContact CB-CZ2 4.26Å; A749-W763 PolarHBondContact O-NE1 2.95Å; T753-W763 PolarHBondContact OG1-NE1 3.35Å; N759-W763 HydrophobicContact CB-CH2 4.22Å; N759-W763 HydrophobicContact CB-CZ2 3.64Å
764	G	88.2	Confident	91.7	Very high	2 Å²	2	41 Å²	41	2%	0.021	20%	0.199	C	C	.	.			trans	116.5	-165.1	-177.3	0	0	0	0	0	113.9	T753 K760	T753-G764 WeakPolarHBondContact CG2-O 3.27Å; K760-G764 VanDerWaalsContact CA-O 3.23Å; K760-G764 WeakPolarHBondContact CA-O 3.5Å; K760-G764 WeakPolarHBondContact CB-O 3.28Å; K760-G764 VanDerWaalsContact O-CA 3.26Å; K760-G764 WeakPolarHBondContact O-CA 3.3Å; K760-G764 PolarHBondContact O-N 3.41Å
765	N	91.9	Very high	91.8	Very high	33 Å²	33	40.3 Å²	40.3	18%	0.176	20%	0.196	C	C	.	.			trans	-129.9	167.1	175.8	75.5	30.7	0	0	0	110.3	E750 T753 K760 Q767	E750-N765 VanDerWaalsContact CG-O 3.27Å; E750-N765 WeakPolarHBondContact CG-O 3.33Å; E750-N765 CarbonylContact O-C 3.13Å; T753-N765 VanDerWaalsContact O-CA 3.32Å; T753-N765 WeakPolarHBondContact O-CA 3.39Å; T753-N765 WeakPolarHBondContact O-CB 3.3Å; K760-N765 HydrophobicContact CB-CB 4.34Å; N765-Q767 PolarHBondContact ND2-OE1 3.43Å; N765-Q767 PolarHBondContact O-N 2.96Å; N765-Q767 VanDerWaalsContact O-N 3.15Å; N765-Q767 VanDerWaalsContact OD1-CB 3.3Å; N765-Q767 WeakPolarHBondContact OD1-CB 3.32Å; N765-Q767 VanDerWaalsContact OD1-CG 3.29Å; N765-Q767 WeakPolarHBondContact OD1-CG 3.31Å; N765-Q767 PolarHBondContact OD1-N 3.34Å; N765-Q767 PolarHBondContact OD1-OE1 2.87Å
766	Y	95	Very high	92.1	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.027	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.8	-172.4	68.5	-118.9	0	0	0	115.9	E750 A751 T753 H754 R768 L769 E770 V866 D869 V870	E750-Y766 WeakPolarHBondContact O-CA 3.5Å; E750-Y766 PolarHBondContact O-N 2.94Å; A751-Y766 WeakPolarHBondContact O-CB 3.43Å; T753-Y766 WeakPolarHBondContact O-CD1 3.3Å; T753-Y766 PolarHBondContact O-N 2.92Å; H754-Y766 HydrophobicContact CB-CD1 4.37Å; H754-Y766 HydrophobicContact CB-CE1 3.9Å; H754-Y766 AromaticContact CD2-CE1 3.66Å; H754-Y766 AromaticContact CD2-CZ 4Å; Y766-R768 VanDerWaalsContact C-N 3.29Å; Y766-R768 PolarHBondContact O-N 3.5Å; Y766-R768 VanDerWaalsContact O-N 3.15Å; Y766-L769 CarbonylContact O-C 3.57Å; Y766-L769 WeakPolarHBondContact O-CA 3.3Å; Y766-L769 WeakPolarHBondContact O-CB 3.41Å; Y766-L769 PolarHBondContact O-N 2.84Å; Y766-E770 HydrophobicContact CD2-CB 4.09Å; Y766-E770 VanDerWaalsContact CE2-OE2 3.27Å; Y766-E770 WeakPolarHBondContact CE2-OE2 3.39Å; Y766-E770 PolarHBondContact O-N 3.34Å; Y766-V866 HydrophobicContact CE1-CG1 4.14Å; Y766-D869 HydrophobicContact CD2-CB 3.95Å; Y766-D869 HydrophobicContact CE2-CB 3.31Å; Y766-D869 PolarHBondContact OH-OD2 3.47Å; Y766-V870 HydrophobicContact CD1-CG2 3.98Å; Y766-V870 HydrophobicContact CE1-CG2 4.06Å
767	Q	95	Very high	92.5	Very high	39 Å²	39	33.4 Å²	33.4	18%	0.182	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-36.6	-162.3	-64.2	179.4	-86	0	0	113.4	E576 N765 L769 F771	E576-Q767 HydrophobicContact CB-CB 4.11Å; N765-Q767 PolarHBondContact ND2-OE1 3.43Å; N765-Q767 PolarHBondContact O-N 2.96Å; N765-Q767 VanDerWaalsContact O-N 3.15Å; N765-Q767 VanDerWaalsContact OD1-CB 3.3Å; N765-Q767 WeakPolarHBondContact OD1-CB 3.32Å; N765-Q767 VanDerWaalsContact OD1-CG 3.29Å; N765-Q767 WeakPolarHBondContact OD1-CG 3.31Å; N765-Q767 PolarHBondContact OD1-N 3.34Å; N765-Q767 PolarHBondContact OD1-OE1 2.87Å; Q767-L769 VanDerWaalsContact C-N 3.32Å; Q767-F771 PolarHBondContact O-N 2.91Å
768	R	94.5	Very high	92.8	Very high	14 Å²	14	33.8 Å²	33.8	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-71	-31.4	177.9	-159.9	-155	176.4	80.2	-5.5	112.5	Y567 N570 P571 L579 Y701 Y766 L772	Y567-R768 HydrophobicContact CD2-CG 4.1Å; Y567-R768 HydrophobicContact CE2-CG 3.73Å; Y567-R768 VanDerWaalsContact CE2-NE 3.29Å; Y567-R768 WeakPolarHBondContact CE2-O 3.24Å; Y567-R768 PolarHBondContact O-NH2 3.44Å; N570-R768 PolarHBondContact O-NH1 3.44Å; N570-R768 PolarHBondContact O-NH2 3.14Å; P571-R768 PolarHBondContact O-NH1 3.34Å; L579-R768 HydrophobicContact CD1-CG 4.11Å; Y701-R768 PolarHBondContact OH-NH2 3.36Å; Y766-R768 VanDerWaalsContact C-N 3.29Å; Y766-R768 PolarHBondContact O-N 3.5Å; Y766-R768 VanDerWaalsContact O-N 3.15Å; R768-L772 PolarHBondContact O-N 3.07Å
769	L	95.6	Very high	93.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-84	-33.2	179.6	-63.7	170	0	0	0	111.3	E750 A751 Y766 Q767 L772 G773 A877 V880	E750-L769 HydrophobicContact CB-CD1 4Å; E750-L769 HydrophobicContact CG-CD1 3.82Å; A751-L769 HydrophobicContact CB-CD1 4.17Å; Y766-L769 CarbonylContact O-C 3.57Å; Y766-L769 WeakPolarHBondContact O-CA 3.3Å; Y766-L769 WeakPolarHBondContact O-CB 3.41Å; Y766-L769 PolarHBondContact O-N 2.84Å; Q767-L769 VanDerWaalsContact C-N 3.32Å; L769-L772 PolarHBondContact O-N 3.01Å; L769-G773 PolarHBondContact O-N 3.14Å; L769-A877 HydrophobicContact CD1-CB 4.19Å; L769-V880 HydrophobicContact CD2-CG2 4.32Å
770	E	97.1	Very high	93.5	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-51.4	-58.3	166.1	168	-165.9	176.5	0	0	109.7	Y766 L772 G773 D774 K865 D869	Y766-E770 HydrophobicContact CD2-CB 4.09Å; Y766-E770 VanDerWaalsContact CE2-OE2 3.27Å; Y766-E770 WeakPolarHBondContact CE2-OE2 3.39Å; Y766-E770 PolarHBondContact O-N 3.34Å; E770-L772 VanDerWaalsContact C-N 3.28Å; E770-L772 PolarHBondContact O-N 3.1Å; E770-G773 WeakPolarHBondContact O-CA 3.43Å; E770-G773 PolarHBondContact O-N 3.15Å; E770-D774 PolarHBondContact O-N 3.21Å; E770-K865 WeakPolarHBondContact OE1-CE 3.3Å; E770-K865 IonicContact OE1-NZ 2.68Å; E770-K865 PolarHBondContact OE1-NZ 3.16Å; E770-D869 HydrophobicContact CB-CB 4.46Å; E770-D869 HydrophobicContact CG-CB 3.96Å
771	F	96.7	Very high	94	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-51	-43.2	178.2	170	-102.1	0	0	0	113.7	T563 V566 E576 L579 R583 Q767	T563-F771 HydrophobicContact CG2-CD1 3.94Å; T563-F771 HydrophobicContact CG2-CE1 3.55Å; T563-F771 HydrophobicContact CG2-CE2 4.49Å; T563-F771 HydrophobicContact CG2-CZ 3.85Å; V566-F771 HydrophobicContact CB-CE1 4.49Å; V566-F771 HydrophobicContact CB-CZ 4.26Å; V566-F771 HydrophobicContact CG1-CE1 4.23Å; V566-F771 HydrophobicContact CG1-CZ 3.98Å; E576-F771 HydrophobicContact CG-CB 4.26Å; L579-F771 VanDerWaalsContact C-CE2 3.45Å; L579-F771 HydrophobicContact CB-CD1 4.4Å; L579-F771 HydrophobicContact CB-CE1 4.01Å; L579-F771 HydrophobicContact CB-CE2 4.26Å; L579-F771 HydrophobicContact CB-CZ 3.94Å; L579-F771 HydrophobicContact CD1-CB 4.33Å; L579-F771 HydrophobicContact CD1-CD1 3.67Å; L579-F771 HydrophobicContact CD1-CE1 4.07Å; L579-F771 HydrophobicContact CD1-CG 3.95Å; R583-F771 HydrophobicContact CB-CE2 4Å; R583-F771 HydrophobicContact CB-CZ 4.04Å; Q767-F771 PolarHBondContact O-N 2.91Å
772	L	96.1	Very high	94.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-71.8	-43.1	177.4	178.5	58.7	0	0	0	111.5	T563 L564 Y567 L696 R768 L769 E770 S775 I776 V880	T563-L772 HydrophobicContact CG2-CD1 4.16Å; L564-L772 HydrophobicContact CD2-CD1 3.84Å; Y567-L772 HydrophobicContact CD1-CD2 4.3Å; Y567-L772 HydrophobicContact CD2-CB 3.95Å; Y567-L772 HydrophobicContact CD2-CD2 4.05Å; Y567-L772 HydrophobicContact CD2-CG 4.43Å; Y567-L772 HydrophobicContact CE1-CD2 4.09Å; Y567-L772 HydrophobicContact CE2-CB 4.1Å; Y567-L772 HydrophobicContact CE2-CD2 3.81Å; Y567-L772 HydrophobicContact CG-CD2 4.29Å; L696-L772 HydrophobicContact CD2-CD2 4.27Å; R768-L772 PolarHBondContact O-N 3.07Å; L769-L772 PolarHBondContact O-N 3.01Å; E770-L772 VanDerWaalsContact C-N 3.28Å; E770-L772 PolarHBondContact O-N 3.1Å; L772-S775 PolarHBondContact O-N 3.5Å; L772-I776 HydrophobicContact CD1-CD1 3.92Å; L772-I776 HydrophobicContact CD1-CG1 4.39Å; L772-I776 HydrophobicContact CD2-CD1 4.49Å; L772-I776 HydrophobicContact CG-CD1 3.71Å; L772-I776 WeakPolarHBondContact O-CD1 3.4Å; L772-I776 VanDerWaalsContact O-CG1 3.28Å; L772-I776 WeakPolarHBondContact O-CG1 3.3Å; L772-I776 PolarHBondContact O-N 3.29Å; L772-V880 HydrophobicContact CD2-CG2 3.72Å
773	G	97.1	Very high	95	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.1	-46.8	-178.2	0	0	0	0	0	114.3	L769 E770 S775 I776 L777 E872	L769-G773 PolarHBondContact O-N 3.14Å; E770-G773 WeakPolarHBondContact O-CA 3.43Å; E770-G773 PolarHBondContact O-N 3.15Å; G773-S775 VanDerWaalsContact C-N 3.31Å; G773-S775 PolarHBondContact O-N 2.92Å; G773-I776 PolarHBondContact O-N 3.06Å; G773-L777 WeakPolarHBondContact O-CB 3.3Å; G773-L777 PolarHBondContact O-N 2.99Å; G773-E872 VanDerWaalsContact CA-O 3.3Å; G773-E872 WeakPolarHBondContact CA-O 3.5Å
774	D	97.2	Very high	95.4	Very high	56 Å²	56	13.4 Å²	13.4	30%	0.299	7%	0.069	S	C	.	.	H	α-helix	trans	-47	-54	172.9	155.6	58.4	0	0	0	110.9	R583 E770 I776 L777 G778	R583-D774 IonicContact CZ-OD2 2.69Å; R583-D774 IonicContact NH1-OD2 3.53Å; R583-D774 PolarHBondContact NH1-OD2 2.88Å; R583-D774 IonicContact NH2-OD2 2.69Å; E770-D774 PolarHBondContact O-N 3.21Å; D774-I776 PolarHBondContact O-N 3.23Å; D774-L777 PolarHBondContact O-N 2.82Å; D774-G778 PolarHBondContact O-N 2.95Å
775	S	96.4	Very high	95.7	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-71.7	-32.5	-175.8	-57.6	0	0	0	0	113.3	T563 R583 L772 G773 H779	T563-S775 WeakPolarHBondContact OG1-CB 3.47Å; T563-S775 PolarHBondContact OG1-OG 3.49Å; R583-S775 PolarHBondContact NH1-OG 3.33Å; L772-S775 PolarHBondContact O-N 3.5Å; G773-S775 VanDerWaalsContact C-N 3.31Å; G773-S775 PolarHBondContact O-N 2.92Å; S775-H779 VanDerWaalsContact O-CB 3.28Å; S775-H779 WeakPolarHBondContact O-CB 3.31Å; S775-H779 PolarHBondContact O-N 3.35Å
776	I	96.4	Very high	95.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-47.4	172.8	-67.6	158.3	0	0	0	110	F560 L772 G773 D774 H779 I780 L875 F879 A889	F560-I776 HydrophobicContact CD2-CG1 4.32Å; F560-I776 HydrophobicContact CE2-CG1 3.94Å; L772-I776 HydrophobicContact CD1-CD1 3.92Å; L772-I776 HydrophobicContact CD1-CG1 4.39Å; L772-I776 HydrophobicContact CD2-CD1 4.49Å; L772-I776 HydrophobicContact CG-CD1 3.71Å; L772-I776 WeakPolarHBondContact O-CD1 3.4Å; L772-I776 VanDerWaalsContact O-CG1 3.28Å; L772-I776 WeakPolarHBondContact O-CG1 3.3Å; L772-I776 PolarHBondContact O-N 3.29Å; G773-I776 PolarHBondContact O-N 3.06Å; D774-I776 PolarHBondContact O-N 3.23Å; I776-H779 PolarHBondContact O-N 2.93Å; I776-I780 HydrophobicContact CG2-CD1 3.68Å; I776-I780 WeakPolarHBondContact O-CB 3.47Å; I776-I780 WeakPolarHBondContact O-CG1 3.44Å; I776-I780 PolarHBondContact O-N 3.46Å; I776-L875 HydrophobicContact CB-CD2 4.31Å; I776-L875 HydrophobicContact CG2-CD2 4Å; I776-L875 HydrophobicContact CG2-CG 4.2Å; I776-F879 HydrophobicContact CD1-CB 3.53Å; I776-F879 HydrophobicContact CD1-CD1 3.5Å; I776-F879 VanDerWaalsContact CD1-CD1 3.5Å; I776-F879 HydrophobicContact CD1-CD2 4Å; I776-F879 HydrophobicContact CD1-CE1 4.1Å; I776-F879 HydrophobicContact CD1-CG 3.41Å; I776-F879 VanDerWaalsContact CD1-CG 3.41Å; I776-F879 HydrophobicContact CG1-CD1 4.22Å; I776-F879 HydrophobicContact CG1-CD2 4.45Å; I776-F879 HydrophobicContact CG1-CE1 4.34Å; I776-F879 HydrophobicContact CG1-CG 4.25Å; I776-F879 HydrophobicContact CG1-CZ 4.47Å; I776-F879 HydrophobicContact CG2-CD2 4.34Å; I776-A889 HydrophobicContact CG2-CB 4.09Å
777	L	97.4	Very high	95.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-52.5	178.7	175.7	60.8	0	0	0	110.6	G773 D774 H779 I780 I781 V805 L810 E872 L875 I893 L897	G773-L777 WeakPolarHBondContact O-CB 3.3Å; G773-L777 PolarHBondContact O-N 2.99Å; D774-L777 PolarHBondContact O-N 2.82Å; L777-H779 VanDerWaalsContact C-N 3.34Å; L777-H779 PolarHBondContact O-N 3.5Å; L777-I780 PolarHBondContact O-N 3.01Å; L777-I781 HydrophobicContact CD1-CG1 3.85Å; L777-I781 WeakPolarHBondContact O-CB 3.33Å; L777-I781 VanDerWaalsContact O-CG1 3.32Å; L777-I781 WeakPolarHBondContact O-CG1 3.12Å; L777-I781 PolarHBondContact O-N 3.21Å; L777-V805 HydrophobicContact CD1-CG1 4.33Å; L777-V805 HydrophobicContact CD2-CB 4.07Å; L777-V805 HydrophobicContact CD2-CG1 4.01Å; L777-V805 HydrophobicContact CG-CB 4.36Å; L777-V805 HydrophobicContact CG-CG1 3.76Å; L777-L810 HydrophobicContact CD2-CD1 3.86Å; L777-L810 HydrophobicContact CD2-CD2 4.07Å; L777-E872 HydrophobicContact CD2-CG 4.44Å; L777-L875 HydrophobicContact CB-CD2 3.76Å; L777-I893 HydrophobicContact CD1-CD1 3.91Å; L777-I893 HydrophobicContact CD1-CG1 3.96Å; L777-I893 HydrophobicContact CD1-CG2 4.41Å; L777-L897 HydrophobicContact CD1-CD1 3.57Å
778	G	96.3	Very high	95.4	Very high	15 Å²	15	20.9 Å²	20.9	16%	0.155	10%	0.101	C	C	.	.	H	α-helix	trans	-55.8	-45.2	178.3	0	0	0	0	0	112.6	D774 S782	D774-G778 PolarHBondContact O-N 2.95Å; G778-S782 VanDerWaalsContact O-CB 3.27Å; G778-S782 WeakPolarHBondContact O-CB 3.44Å; G778-S782 PolarHBondContact O-N 3.28Å; G778-S782 PolarHBondContact O-OG 2.93Å
779	H	96.1	Very high	95.1	Very high	11 Å²	11	20.2 Å²	20.2	5%	0.051	10%	0.099	C	C	.	.	H	α-helix	trans	-69	-45.3	178.5	179.6	54	0	0	0	113.2	S556 F557 F560 S775 I776 L777 I781 S782 N783	S556-H779 PolarHBondContact O-ND1 3.08Å; S556-H779 PolarHBondContact OG-ND1 2.73Å; F557-H779 AromaticContact CD2-CE1 3.76Å; F557-H779 AromaticContact CD2-NE2 3.99Å; F560-H779 HydrophobicContact CB-CB 3.82Å; F560-H779 AromaticContact CD1-CD2 3.69Å; F560-H779 HydrophobicContact CG-CB 4.14Å; F560-H779 AromaticContact CG-CD2 3.89Å; S775-H779 VanDerWaalsContact O-CB 3.28Å; S775-H779 WeakPolarHBondContact O-CB 3.31Å; S775-H779 PolarHBondContact O-N 3.35Å; I776-H779 PolarHBondContact O-N 2.93Å; L777-H779 VanDerWaalsContact C-N 3.34Å; L777-H779 PolarHBondContact O-N 3.5Å; H779-I781 PolarHBondContact O-N 2.86Å; H779-S782 PolarHBondContact O-N 2.92Å; H779-N783 VanDerWaalsContact O-CB 3.29Å; H779-N783 WeakPolarHBondContact O-CB 3.28Å; H779-N783 PolarHBondContact O-N 3.34Å
780	I	96	Very high	94.5	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-45.1	178.7	-72.4	171.3	0	0	0	110.8	I776 L777 Y784 H886 A889 I893	I776-I780 HydrophobicContact CG2-CD1 3.68Å; I776-I780 WeakPolarHBondContact O-CB 3.47Å; I776-I780 WeakPolarHBondContact O-CG1 3.44Å; I776-I780 PolarHBondContact O-N 3.46Å; L777-I780 PolarHBondContact O-N 3.01Å; I780-Y784 VanDerWaalsContact O-CB 3.3Å; I780-Y784 WeakPolarHBondContact O-CB 3.33Å; I780-Y784 PolarHBondContact O-N 2.89Å; I780-H886 WeakPolarHBondContact CG1-CE1 3.47Å; I780-A889 HydrophobicContact CD1-CB 3.8Å; I780-I893 HydrophobicContact CB-CD1 3.75Å; I780-I893 HydrophobicContact CD1-CD1 3.59Å; I780-I893 HydrophobicContact CG1-CD1 4.23Å; I780-I893 HydrophobicContact CG2-CD1 3.65Å; I780-I893 HydrophobicContact CG2-CG2 4.37Å
781	I	96.5	Very high	93.6	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-43.4	177.4	-65.1	-57.2	0	0	0	111.4	L777 H779 Y784 L785 V804 V805 I893 M901	L777-I781 HydrophobicContact CD1-CG1 3.85Å; L777-I781 WeakPolarHBondContact O-CB 3.33Å; L777-I781 VanDerWaalsContact O-CG1 3.32Å; L777-I781 WeakPolarHBondContact O-CG1 3.12Å; L777-I781 PolarHBondContact O-N 3.21Å; H779-I781 PolarHBondContact O-N 2.86Å; I781-Y784 PolarHBondContact O-N 3.34Å; I781-L785 HydrophobicContact CG2-CD1 3.72Å; I781-L785 HydrophobicContact CG2-CG 4.24Å; I781-L785 WeakPolarHBondContact O-CB 3.47Å; I781-L785 VanDerWaalsContact O-CG 3.3Å; I781-L785 WeakPolarHBondContact O-CG 3.34Å; I781-L785 PolarHBondContact O-N 3.46Å; I781-V804 HydrophobicContact CD1-CG1 3.8Å; I781-V804 HydrophobicContact CG1-CG1 4.05Å; I781-V804 HydrophobicContact CG2-CB 4.24Å; I781-V804 HydrophobicContact CG2-CG1 4.27Å; I781-V805 HydrophobicContact CB-CG1 4.35Å; I781-V805 HydrophobicContact CG1-CG1 4.12Å; I781-V805 HydrophobicContact CG2-CG1 4.43Å; I781-I893 HydrophobicContact CD1-CG2 3.65Å; I781-I893 HydrophobicContact CG1-CG2 4.49Å; I781-M901 HydrophobicContact CD1-CE 3.6Å; I781-M901 HydrophobicContact CD1-CG 3.97Å; I781-M901 HydrophobicContact CD1-SD 3.62Å
782	S	96.1	Very high	92.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-48.2	177.7	-57.5	0	0	0	0	111.7	S556 G778 H779 Y784 L785 F786 R801	S556-S782 WeakPolarHBondContact CB-OG 3.39Å; G778-S782 VanDerWaalsContact O-CB 3.27Å; G778-S782 WeakPolarHBondContact O-CB 3.44Å; G778-S782 PolarHBondContact O-N 3.28Å; G778-S782 PolarHBondContact O-OG 2.93Å; H779-S782 PolarHBondContact O-N 2.92Å; S782-Y784 PolarHBondContact O-N 3.38Å; S782-L785 PolarHBondContact O-N 3.47Å; S782-F786 VanDerWaalsContact O-CB 3.26Å; S782-F786 WeakPolarHBondContact O-CB 3.46Å; S782-F786 PolarHBondContact O-N 3.45Å; S782-R801 WeakPolarHBondContact OG-CD 3.38Å; S782-R801 PolarHBondContact OG-NH1 2.89Å
783	N	94.4	Very high	92.2	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-60.9	-44.7	177.1	-179	36.5	0	0	0	111.7	Y553 H779 F786 Q787	Y553-N783 HydrophobicContact CE2-CB 4.15Å; Y553-N783 WeakPolarHBondContact CE2-OD1 3.37Å; Y553-N783 PolarHBondContact OH-OD1 3.21Å; H779-N783 VanDerWaalsContact O-CB 3.29Å; H779-N783 WeakPolarHBondContact O-CB 3.28Å; H779-N783 PolarHBondContact O-N 3.34Å; N783-F786 PolarHBondContact O-N 3.42Å; N783-Q787 VanDerWaalsContact O-CG 3.31Å; N783-Q787 WeakPolarHBondContact O-CG 3.48Å; N783-Q787 PolarHBondContact O-N 3.37Å; N783-Q787 VanDerWaalsContact O-N 3.07Å; N783-Q787 PolarHBondContact OD1-NE2 3.36Å
784	Y	94.5	Very high	91.5	Very high	50 Å²	50	29.1 Å²	29.1	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-45.5	178.7	-173.4	-108.7	0	0	0	112.5	I780 I781 S782 Q787 K788 H894 M901 I905	I780-Y784 VanDerWaalsContact O-CB 3.3Å; I780-Y784 WeakPolarHBondContact O-CB 3.33Å; I780-Y784 PolarHBondContact O-N 2.89Å; I781-Y784 PolarHBondContact O-N 3.34Å; S782-Y784 PolarHBondContact O-N 3.38Å; Y784-Q787 PolarHBondContact O-N 3.45Å; Y784-K788 HydrophobicContact CD2-CG 4.38Å; Y784-K788 HydrophobicContact CE1-CG 4.46Å; Y784-K788 HydrophobicContact CE2-CG 3.93Å; Y784-K788 WeakPolarHBondContact O-CB 3.44Å; Y784-K788 PolarHBondContact O-N 3.04Å; Y784-H894 AromaticContact CD2-CE1 3.91Å; Y784-H894 AromaticContact CE2-CE1 3.54Å; Y784-H894 AromaticContact CE2-NE2 3.96Å; Y784-H894 AromaticContact CZ-CE1 3.6Å; Y784-M901 HydrophobicContact CD1-CE 3.33Å; Y784-M901 HydrophobicContact CE1-CE 3.54Å; Y784-M901 HydrophobicContact CG-CE 3.96Å; Y784-I905 HydrophobicContact CD1-CD1 3.9Å; Y784-I905 HydrophobicContact CE1-CD1 3.32Å
785	L	93.9	Very high	91	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-43.9	176.3	-70.2	172.4	0	0	0	111.8	I781 S782 Q787 K788 C789 L797 A800 R801 I905 L908	I781-L785 HydrophobicContact CG2-CD1 3.72Å; I781-L785 HydrophobicContact CG2-CG 4.24Å; I781-L785 WeakPolarHBondContact O-CB 3.47Å; I781-L785 VanDerWaalsContact O-CG 3.3Å; I781-L785 WeakPolarHBondContact O-CG 3.34Å; I781-L785 PolarHBondContact O-N 3.46Å; S782-L785 PolarHBondContact O-N 3.47Å; L785-Q787 VanDerWaalsContact C-N 3.28Å; L785-Q787 PolarHBondContact O-N 3.25Å; L785-K788 PolarHBondContact O-N 3.42Å; L785-C789 WeakPolarHBondContact O-CA 3.43Å; L785-C789 VanDerWaalsContact O-CB 3.31Å; L785-C789 WeakPolarHBondContact O-CB 3.45Å; L785-C789 PolarHBondContact O-N 3.15Å; L785-L797 HydrophobicContact CB-CD2 4.04Å; L785-A800 HydrophobicContact CD1-CB 3.84Å; L785-A800 HydrophobicContact CD2-CB 4.27Å; L785-R801 HydrophobicContact CD1-CB 4.16Å; L785-I905 HydrophobicContact CD2-CD1 4.35Å; L785-I905 HydrophobicContact CD2-CG1 3.9Å; L785-L908 HydrophobicContact CD2-CD1 4.3Å
786	F	92.3	Very high	90.6	Very high	20 Å²	20	28.8 Å²	28.8	9%	0.088	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-40.8	177.8	-178.2	-90.7	0	0	0	112.1	R549 F552 Y553 L656 S782 N783	R549-F786 HydrophobicContact CB-CE2 4.34Å; R549-F786 VanDerWaalsContact O-CE2 3.32Å; R549-F786 WeakPolarHBondContact O-CE2 3.27Å; F552-F786 HydrophobicContact CE1-CB 4.48Å; Y553-F786 HydrophobicContact CD1-CD1 4.39Å; Y553-F786 HydrophobicContact CD1-CE1 4.19Å; Y553-F786 HydrophobicContact CD1-CZ 4.34Å; Y553-F786 HydrophobicContact CD2-CB 4.38Å; Y553-F786 HydrophobicContact CD2-CD1 4.32Å; Y553-F786 HydrophobicContact CD2-CG 4.2Å; Y553-F786 HydrophobicContact CE1-CE1 4.49Å; Y553-F786 HydrophobicContact CG-CD1 4.23Å; Y553-F786 HydrophobicContact CG-CD2 4.26Å; Y553-F786 HydrophobicContact CG-CE1 4.4Å; Y553-F786 HydrophobicContact CG-CE2 4.42Å; Y553-F786 HydrophobicContact CG-CG 4.17Å; Y553-F786 HydrophobicContact CG-CZ 4.49Å; L656-F786 HydrophobicContact CD1-CE1 4.11Å; L656-F786 HydrophobicContact CD2-CE1 4.32Å; L656-F786 HydrophobicContact CD2-CZ 4.13Å; S782-F786 VanDerWaalsContact O-CB 3.26Å; S782-F786 WeakPolarHBondContact O-CB 3.46Å; S782-F786 PolarHBondContact O-N 3.45Å; N783-F786 PolarHBondContact O-N 3.42Å
787	Q	91.2	Very high	90.4	Very high	122 Å²	122	28.8 Å²	28.8	57%	0.57	16%	0.163	S	C	*	.	H	α-helix	trans	-77.2	-45.5	179.1	-68.1	-177.8	22.6	0	0	113.8	N783 Y784 L785	N783-Q787 VanDerWaalsContact O-CG 3.31Å; N783-Q787 WeakPolarHBondContact O-CG 3.48Å; N783-Q787 PolarHBondContact O-N 3.37Å; N783-Q787 VanDerWaalsContact O-N 3.07Å; N783-Q787 PolarHBondContact OD1-NE2 3.36Å; Y784-Q787 PolarHBondContact O-N 3.45Å; L785-Q787 VanDerWaalsContact C-N 3.28Å; L785-Q787 PolarHBondContact O-N 3.25Å
788	K	91.2	Very high	90.1	Very high	94 Å²	94	31.2 Å²	31.2	41%	0.409	18%	0.178	S	C	.	.	H	α-helix	trans	-82	-19.2	-176.4	-75.8	-65.1	-170.8	-179.3	0	113.8	Y784 L785 P790 I905 T954	Y784-K788 HydrophobicContact CD2-CG 4.38Å; Y784-K788 HydrophobicContact CE1-CG 4.46Å; Y784-K788 HydrophobicContact CE2-CG 3.93Å; Y784-K788 WeakPolarHBondContact O-CB 3.44Å; Y784-K788 PolarHBondContact O-N 3.04Å; L785-K788 PolarHBondContact O-N 3.42Å; K788-P790 VanDerWaalsContact O-CD 3.3Å; K788-P790 WeakPolarHBondContact O-CD 3.36Å; K788-I905 HydrophobicContact CB-CD1 4.2Å; K788-T954 PolarHBondContact NZ-OXT 2.93Å
789	C	89.1	Confident	90	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.			trans	-119.5	65.4	176.3	-61.6	0	0	0	0	111.1	R549 L785 N791 S792 L797 L908	R549-C789 PolarHBondContact NH2-O 2.95Å; L785-C789 WeakPolarHBondContact O-CA 3.43Å; L785-C789 VanDerWaalsContact O-CB 3.31Å; L785-C789 WeakPolarHBondContact O-CB 3.45Å; L785-C789 PolarHBondContact O-N 3.15Å; C789-N791 PolarHBondContact O-N 3.48Å; C789-S792 PolarHBondContact O-N 3.3Å; C789-L797 HydrophobicContact CB-CD2 3.89Å; C789-L908 HydrophobicContact CB-CD1 4.19Å
790	P	83.4	Confident	89.9	Confident	66 Å²	66	34.5 Å²	34.5	43%	0.429	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.9	-177.2	29.3	-37.2	0	0	0	114	R549 K788	R549-P790 VanDerWaalsContact CZ-O 3.24Å; R549-P790 PolarHBondContact NH1-O 3.48Å; R549-P790 PolarHBondContact NH2-O 3.17Å; K788-P790 VanDerWaalsContact O-CD 3.3Å; K788-P790 WeakPolarHBondContact O-CD 3.36Å
791	N	76.5	Confident	89.9	Confident	85 Å²	85	36.7 Å²	36.7	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	2.1	-170.2	-69.7	-2.9	0	0	0	113.4	F485 C789	F485-N791 VanDerWaalsContact CD1-O 3.29Å; F485-N791 WeakPolarHBondContact CD1-O 3.49Å; F485-N791 HydrophobicContact CD2-CB 3.97Å; F485-N791 HydrophobicContact CE1-CB 4.49Å; F485-N791 WeakPolarHBondContact CE1-O 3.28Å; F485-N791 HydrophobicContact CE2-CB 3.29Å; F485-N791 HydrophobicContact CZ-CB 3.6Å; F485-N791 WeakPolarHBondContact CZ-O 3.4Å; C789-N791 PolarHBondContact O-N 3.48Å
792	S	82	Confident	89.8	Confident	10 Å²	10	39.7 Å²	39.7	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	-93	148.1	-177.5	-60.3	0	0	0	0	111.9	R549 C789	R549-S792 PolarHBondContact NE-O 2.86Å; C789-S792 PolarHBondContact O-N 3.3Å
793	S	81.7	Confident	89.7	Confident	26 Å²	26	42.7 Å²	42.7	18%	0.182	24%	0.244	C	C	.	.			trans	-58.3	150.9	172.5	26.2	0	0	0	0	112.3	N487 G795 A796 L797	N487-S793 WeakPolarHBondContact O-CB 3.29Å; S793-G795 VanDerWaalsContact C-N 3.26Å; S793-G795 PolarHBondContact O-N 3.22Å; S793-A796 PolarHBondContact O-N 2.91Å; S793-A796 VanDerWaalsContact OG-CB 3.23Å; S793-A796 WeakPolarHBondContact OG-CB 3.17Å; S793-L797 WeakPolarHBondContact O-CG 3.37Å; S793-L797 PolarHBondContact O-N 2.81Å
794	P	83.1	Confident	89.8	Confident	14 Å²	14	41.5 Å²	41.5	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-55.7	-39.8	169.6	27.4	-38.7	0	0	0	112.2	E548 R549 A796 L797 T798	E548-P794 HydrophobicContact CB-CB 3.76Å; E548-P794 HydrophobicContact CB-CG 3.46Å; E548-P794 VanDerWaalsContact CB-CG 3.46Å; E548-P794 HydrophobicContact CG-CG 4.25Å; E548-P794 WeakPolarHBondContact OE2-CG 3.45Å; R549-P794 HydrophobicContact CG-CB 4.47Å; P794-A796 PolarHBondContact O-N 2.83Å; P794-L797 PolarHBondContact O-N 2.65Å; P794-T798 VanDerWaalsContact O-CB 3.31Å; P794-T798 WeakPolarHBondContact O-CB 3.47Å; P794-T798 PolarHBondContact O-N 3.31Å; P794-T798 PolarHBondContact O-OG1 3.43Å
795	G	85.7	Confident	89.8	Confident	42 Å²	42	40.7 Å²	40.7	43%	0.433	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-39.4	173.8	0	0	0	0	0	113.3	S793 T799	S793-G795 VanDerWaalsContact C-N 3.26Å; S793-G795 PolarHBondContact O-N 3.22Å; G795-T799 WeakPolarHBondContact O-CB 3.28Å; G795-T799 PolarHBondContact O-N 3.32Å; G795-T799 PolarHBondContact O-OG1 3.13Å
796	A	88.8	Confident	89.9	Confident	13 Å²	13	42.1 Å²	42.1	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-40.4	175.2	0	0	0	0	0	112	S793 P794 T799 A800 L908	S793-A796 PolarHBondContact O-N 2.91Å; S793-A796 VanDerWaalsContact OG-CB 3.23Å; S793-A796 WeakPolarHBondContact OG-CB 3.17Å; P794-A796 PolarHBondContact O-N 2.83Å; A796-T799 PolarHBondContact O-N 3.03Å; A796-A800 WeakPolarHBondContact O-CB 3.4Å; A796-A800 PolarHBondContact O-N 3.27Å; A796-L908 HydrophobicContact CB-CD2 3.67Å
797	L	92	Very high	90	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-40.2	173.5	-67.3	171.9	0	0	0	111.9	F552 L785 C789 S793 P794 A800 R801 L908	F552-L797 HydrophobicContact CD1-CB 4.32Å; F552-L797 HydrophobicContact CD1-CD1 4.33Å; F552-L797 HydrophobicContact CD2-CB 4.44Å; F552-L797 HydrophobicContact CE1-CB 4.02Å; F552-L797 HydrophobicContact CE1-CD1 4.46Å; F552-L797 HydrophobicContact CE2-CB 4.15Å; F552-L797 HydrophobicContact CZ-CB 3.93Å; L785-L797 HydrophobicContact CB-CD2 4.04Å; C789-L797 HydrophobicContact CB-CD2 3.89Å; S793-L797 WeakPolarHBondContact O-CG 3.37Å; S793-L797 PolarHBondContact O-N 2.81Å; P794-L797 PolarHBondContact O-N 2.65Å; L797-A800 WeakPolarHBondContact O-CB 3.18Å; L797-A800 PolarHBondContact O-N 2.87Å; L797-R801 WeakPolarHBondContact O-CB 3.3Å; L797-R801 PolarHBondContact O-N 2.98Å; L797-L908 HydrophobicContact CD2-CD1 4.48Å
798	T	91.9	Very high	90.3	Very high	52 Å²	52	40.1 Å²	40.1	32%	0.319	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-40.1	176.8	-58.7	0	0	0	0	112	F552 P794 S802	F552-T798 WeakPolarHBondContact CD2-OG1 3.3Å; P794-T798 VanDerWaalsContact O-CB 3.31Å; P794-T798 WeakPolarHBondContact O-CB 3.47Å; P794-T798 PolarHBondContact O-N 3.31Å; P794-T798 PolarHBondContact O-OG1 3.43Å; T798-S802 WeakPolarHBondContact O-CB 3.17Å; T798-S802 PolarHBondContact O-N 2.91Å; T798-S802 PolarHBondContact O-OG 3.46Å
799	T	92.9	Very high	90.5	Very high	91 Å²	91	35.7 Å²	35.7	56%	0.558	22%	0.223	S	C	*	.	H	α-helix	trans	-64.4	-45.8	173.7	-57	0	0	0	0	110.5	G795 A796 S802 T803	G795-T799 WeakPolarHBondContact O-CB 3.28Å; G795-T799 PolarHBondContact O-N 3.32Å; G795-T799 PolarHBondContact O-OG1 3.13Å; A796-T799 PolarHBondContact O-N 3.03Å; T799-S802 PolarHBondContact O-N 3.05Å; T799-T803 PolarHBondContact O-N 3.44Å; T799-T803 PolarHBondContact O-OG1 3.13Å
800	A	94.2	Very high	90.9	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-48.4	175.7	0	0	0	0	0	112.8	L785 A796 L797 S802 T803 V804 V904 L908	L785-A800 HydrophobicContact CD1-CB 3.84Å; L785-A800 HydrophobicContact CD2-CB 4.27Å; A796-A800 WeakPolarHBondContact O-CB 3.4Å; A796-A800 PolarHBondContact O-N 3.27Å; L797-A800 WeakPolarHBondContact O-CB 3.18Å; L797-A800 PolarHBondContact O-N 2.87Å; A800-S802 PolarHBondContact O-N 3.42Å; A800-T803 PolarHBondContact O-N 3.39Å; A800-V804 WeakPolarHBondContact O-CG2 3.29Å; A800-V804 PolarHBondContact O-N 3.38Å; A800-V804 VanDerWaalsContact O-N 3.15Å; A800-V904 HydrophobicContact CB-CG1 3.25Å; A800-L908 HydrophobicContact CB-CD1 3.79Å; A800-L908 HydrophobicContact CB-CG 4.41Å
801	R	95.6	Very high	91.5	Very high	51 Å²	51	32.6 Å²	32.6	19%	0.192	20%	0.202	C	C	.	.	H	α-helix	trans	-52.4	-56.1	172.4	177	171.3	81.9	178.1	7.7	110.2	F552 D555 S782 L785 L797 T803 V804 V805	F552-R801 HydrophobicContact CE2-CB 4.25Å; F552-R801 HydrophobicContact CZ-CB 4.33Å; D555-R801 IonicContact OD2-CZ 2.67Å; D555-R801 VanDerWaalsContact OD2-CZ 3.31Å; D555-R801 IonicContact OD2-NH1 2.96Å; D555-R801 PolarHBondContact OD2-NH1 2.87Å; D555-R801 IonicContact OD2-NH2 3.45Å; D555-R801 PolarHBondContact OD2-NH2 3.38Å; S782-R801 WeakPolarHBondContact OG-CD 3.38Å; S782-R801 PolarHBondContact OG-NH1 2.89Å; L785-R801 HydrophobicContact CD1-CB 4.16Å; L797-R801 WeakPolarHBondContact O-CB 3.3Å; L797-R801 PolarHBondContact O-N 2.98Å; R801-T803 VanDerWaalsContact C-N 3.3Å; R801-T803 PolarHBondContact O-N 3.45Å; R801-V804 PolarHBondContact O-N 3.15Å; R801-V805 WeakPolarHBondContact O-CG2 3.26Å; R801-V805 PolarHBondContact O-N 3.24Å
802	S	94.5	Very high	92.4	Very high	64 Å²	64	28.5 Å²	28.5	45%	0.448	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-35.2	-178.2	-55	0	0	0	0	113.2	T798 T799 A800 S806	T798-S802 WeakPolarHBondContact O-CB 3.17Å; T798-S802 PolarHBondContact O-N 2.91Å; T798-S802 PolarHBondContact O-OG 3.46Å; T799-S802 PolarHBondContact O-N 3.05Å; A800-S802 PolarHBondContact O-N 3.42Å; S802-S806 WeakPolarHBondContact O-CB 3.39Å; S802-S806 PolarHBondContact O-N 2.93Å
803	T	94.5	Very high	93	Very high	64 Å²	64	28.1 Å²	28.1	39%	0.393	18%	0.178	S	C	.	.	H	α-helix	trans	-64.5	-49.7	174.6	-59.9	0	0	0	0	111.4	T799 A800 R801 S806 V904	T799-T803 PolarHBondContact O-N 3.44Å; T799-T803 PolarHBondContact O-OG1 3.13Å; A800-T803 PolarHBondContact O-N 3.39Å; R801-T803 VanDerWaalsContact C-N 3.3Å; R801-T803 PolarHBondContact O-N 3.45Å; T803-S806 PolarHBondContact O-N 3.47Å; T803-S806 PolarHBondContact O-OG 3.36Å; T803-V904 HydrophobicContact CG2-CG2 3.91Å
804	V	95.8	Very high	93.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-42.4	-176.2	176	0	0	0	0	112	I781 A800 R801 N809 L897 T900 M901 V904	I781-V804 HydrophobicContact CD1-CG1 3.8Å; I781-V804 HydrophobicContact CG1-CG1 4.05Å; I781-V804 HydrophobicContact CG2-CB 4.24Å; I781-V804 HydrophobicContact CG2-CG1 4.27Å; A800-V804 WeakPolarHBondContact O-CG2 3.29Å; A800-V804 PolarHBondContact O-N 3.38Å; A800-V804 VanDerWaalsContact O-N 3.15Å; R801-V804 PolarHBondContact O-N 3.15Å; V804-N809 PolarHBondContact O-ND2 3.04Å; V804-L897 HydrophobicContact CG1-CB 4.37Å; V804-L897 HydrophobicContact CG1-CD1 4.05Å; V804-T900 HydrophobicContact CG2-CG2 4.31Å; V804-M901 HydrophobicContact CG1-CG 3.89Å; V804-M901 HydrophobicContact CG2-CG 4.32Å; V804-V904 HydrophobicContact CG2-CB 4.38Å; V804-V904 HydrophobicContact CG2-CG2 4.08Å
805	V	95.5	Very high	94.3	Very high	32 Å²	32	26.6 Å²	26.6	19%	0.194	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.9	-176.8	-47	0	0	0	0	113.9	L777 I781 R801	L777-V805 HydrophobicContact CD1-CG1 4.33Å; L777-V805 HydrophobicContact CD2-CB 4.07Å; L777-V805 HydrophobicContact CD2-CG1 4.01Å; L777-V805 HydrophobicContact CG-CB 4.36Å; L777-V805 HydrophobicContact CG-CG1 3.76Å; I781-V805 HydrophobicContact CB-CG1 4.35Å; I781-V805 HydrophobicContact CG1-CG1 4.12Å; I781-V805 HydrophobicContact CG2-CG1 4.43Å; R801-V805 WeakPolarHBondContact O-CG2 3.26Å; R801-V805 PolarHBondContact O-N 3.24Å
806	S	95.3	Very high	94.8	Very high	33 Å²	33	26.5 Å²	26.5	23%	0.231	16%	0.156	C	C	.	.			trans	-62.2	140.1	-179.2	61.9	0	0	0	0	112.6	S802 T803 I808 N809 L810	S802-S806 WeakPolarHBondContact O-CB 3.39Å; S802-S806 PolarHBondContact O-N 2.93Å; T803-S806 PolarHBondContact O-N 3.47Å; T803-S806 PolarHBondContact O-OG 3.36Å; S806-I808 PolarHBondContact O-N 2.95Å; S806-N809 PolarHBondContact O-N 3.36Å; S806-N809 WeakPolarHBondContact OG-CB 3.27Å; S806-N809 PolarHBondContact OG-N 3.34Å; S806-L810 PolarHBondContact O-N 3.42Å
807	N	96	Very high	95	Very high	68 Å²	68	28.3 Å²	28.3	36%	0.364	16%	0.162	S	C	.	.	H	α-helix	trans	-54.4	-30.3	178.2	-55	48.3	0	0	0	112.5	A811 V864 A868	N807-A811 WeakPolarHBondContact O-CB 3.27Å; N807-A811 PolarHBondContact O-N 2.79Å; N807-V864 HydrophobicContact CB-CG2 4.37Å; N807-A868 HydrophobicContact CB-CB 3.74Å
808	I	96	Very high	95.2	Very high	32 Å²	32	31.5 Å²	31.5	16%	0.164	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-46.2	175.4	-67.7	166.8	0	0	0	111.1	S806 N812 I851 I854 T855 V858 V864	S806-I808 PolarHBondContact O-N 2.95Å; I808-N812 WeakPolarHBondContact O-CB 3.47Å; I808-N812 PolarHBondContact O-N 3.07Å; I808-I851 HydrophobicContact CG2-CD1 4.09Å; I808-I851 HydrophobicContact CG2-CG2 4.04Å; I808-I854 HydrophobicContact CG2-CB 4.05Å; I808-I854 HydrophobicContact CG2-CG2 3.81Å; I808-T855 HydrophobicContact CD1-CG2 4.23Å; I808-V858 HydrophobicContact CG1-CG2 4.17Å; I808-V864 HydrophobicContact CG1-CG2 4.38Å
809	N	96.1	Very high	95.4	Very high	2 Å²	2	29 Å²	29	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-67.3	-45	177.4	-172.4	48	0	0	0	111.8	V804 S806 A811 N812 V813 H847 I851 T900	V804-N809 PolarHBondContact O-ND2 3.04Å; S806-N809 PolarHBondContact O-N 3.36Å; S806-N809 WeakPolarHBondContact OG-CB 3.27Å; S806-N809 PolarHBondContact OG-N 3.34Å; N809-A811 PolarHBondContact O-N 2.69Å; N809-N812 WeakPolarHBondContact O-CB 3.23Å; N809-N812 PolarHBondContact O-N 3.01Å; N809-V813 VanDerWaalsContact O-CG2 3.26Å; N809-V813 WeakPolarHBondContact O-CG2 3.49Å; N809-V813 PolarHBondContact O-N 3.04Å; N809-H847 PolarHBondContact OD1-CE1 3.37Å; N809-H847 PolarHBondContact OD1-NE2 3.44Å; N809-I851 HydrophobicContact CB-CD1 4.1Å; N809-T900 PolarHBondContact ND2-OG1 2.96Å; N809-T900 PolarHBondContact OD1-OG1 3.18Å
810	L	97.1	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-40.4	179	-57.1	-174.4	0	0	0	111.8	L777 S806 V813 V814 A868 F871 E872 L897	L777-L810 HydrophobicContact CD2-CD1 3.86Å; L777-L810 HydrophobicContact CD2-CD2 4.07Å; S806-L810 PolarHBondContact O-N 3.42Å; L810-V813 PolarHBondContact O-N 3.04Å; L810-V814 PolarHBondContact O-N 3.05Å; L810-A868 HydrophobicContact CB-CB 3.8Å; L810-A868 HydrophobicContact CD1-CB 4.23Å; L810-F871 HydrophobicContact CB-CB 4.48Å; L810-F871 HydrophobicContact CD1-CD1 4.42Å; L810-F871 HydrophobicContact CD2-CD1 3.8Å; L810-F871 HydrophobicContact CD2-CE1 3.98Å; L810-F871 HydrophobicContact CG-CD1 4.48Å; L810-E872 HydrophobicContact CD1-CG 3.96Å; L810-E872 VanDerWaalsContact CD1-OE1 3.3Å; L810-E872 WeakPolarHBondContact CD1-OE1 3.28Å; L810-L897 HydrophobicContact CD2-CD1 4.05Å; L810-L897 HydrophobicContact CD2-CD2 3.91Å
811	A	96.1	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-40.6	173.7	0	0	0	0	0	113.2	N807 N809 V813 V814 V815 I837 V864 L867	N807-A811 WeakPolarHBondContact O-CB 3.27Å; N807-A811 PolarHBondContact O-N 2.79Å; N809-A811 PolarHBondContact O-N 2.69Å; A811-V813 VanDerWaalsContact C-N 3.31Å; A811-V813 PolarHBondContact O-N 3.35Å; A811-V814 PolarHBondContact O-N 3.49Å; A811-V815 PolarHBondContact O-N 3.29Å; A811-I837 HydrophobicContact CB-CD1 4.29Å; A811-V864 HydrophobicContact CB-CB 3.76Å; A811-V864 HydrophobicContact CB-CG1 4.38Å; A811-V864 HydrophobicContact CB-CG2 4.36Å; A811-L867 HydrophobicContact CB-CB 3.74Å; A811-L867 HydrophobicContact CB-CD1 4.17Å
812	N	95.7	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.4	-47.4	171	172.2	93.4	0	0	0	110.4	I808 N809 V814 V815 E816 H841 R850 I851 I854	I808-N812 WeakPolarHBondContact O-CB 3.47Å; I808-N812 PolarHBondContact O-N 3.07Å; N809-N812 WeakPolarHBondContact O-CB 3.23Å; N809-N812 PolarHBondContact O-N 3.01Å; N812-V814 PolarHBondContact O-N 2.84Å; N812-V815 CarbonylContact O-C 3.54Å; N812-V815 PolarHBondContact O-N 3.22Å; N812-V815 VanDerWaalsContact O-N 3.15Å; N812-E816 PolarHBondContact ND2-OE2 3.21Å; N812-E816 WeakPolarHBondContact O-CB 3.32Å; N812-E816 PolarHBondContact O-N 3.08Å; N812-H841 PolarHBondContact OD1-NE2 3.07Å; N812-R850 WeakPolarHBondContact OD1-CB 3.48Å; N812-I851 HydrophobicContact CB-CD1 3.85Å; N812-I854 HydrophobicContact CB-CD1 3.79Å
813	V	95.6	Very high	95.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-62.8	-41.1	-178.1	167	0	0	0	0	112.3	N809 L810 A811 V815 E816 H817 F871 F896 L897	N809-V813 VanDerWaalsContact O-CG2 3.26Å; N809-V813 WeakPolarHBondContact O-CG2 3.49Å; N809-V813 PolarHBondContact O-N 3.04Å; L810-V813 PolarHBondContact O-N 3.04Å; A811-V813 VanDerWaalsContact C-N 3.31Å; A811-V813 PolarHBondContact O-N 3.35Å; V813-V815 PolarHBondContact O-N 3.37Å; V813-E816 PolarHBondContact O-N 3.03Å; V813-H817 PolarHBondContact O-CD2 3.3Å; V813-H817 PolarHBondContact O-N 2.95Å; V813-H817 VanDerWaalsContact O-N 3.11Å; V813-F871 HydrophobicContact CG1-CD2 4.07Å; V813-F871 HydrophobicContact CG1-CE2 3.7Å; V813-F871 HydrophobicContact CG1-CZ 4.37Å; V813-F896 HydrophobicContact CG1-CB 3.85Å; V813-F896 HydrophobicContact CG1-CD1 4.02Å; V813-F896 HydrophobicContact CG1-CG 4.34Å; V813-L897 HydrophobicContact CB-CD2 4.4Å; V813-L897 HydrophobicContact CG1-CD2 4.24Å; V813-L897 HydrophobicContact CG2-CD2 3.74Å
814	V	96.6	Very high	95.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-31.5	175.3	163.5	0	0	0	0	112.7	L810 A811 N812 I819 I823 L867 F871	L810-V814 PolarHBondContact O-N 3.05Å; A811-V814 PolarHBondContact O-N 3.49Å; N812-V814 PolarHBondContact O-N 2.84Å; V814-I819 HydrophobicContact CB-CB 4.47Å; V814-I819 HydrophobicContact CG1-CB 4.08Å; V814-I819 HydrophobicContact CG1-CG2 4.31Å; V814-I819 HydrophobicContact CG2-CB 4.47Å; V814-I819 HydrophobicContact CG2-CG2 4.47Å; V814-I819 PolarHBondContact O-N 2.89Å; V814-I823 HydrophobicContact CG1-CD1 4.49Å; V814-L867 HydrophobicContact CB-CB 4.48Å; V814-L867 HydrophobicContact CG1-CB 4.31Å; V814-L867 HydrophobicContact CG1-CD2 3.94Å; V814-L867 WeakPolarHBondContact CG2-O 3.45Å; V814-F871 HydrophobicContact CG2-CB 3.79Å; V814-F871 HydrophobicContact CG2-CD2 4.17Å; V814-F871 HydrophobicContact CG2-CG 4.44Å
815	V	95.5	Very high	95	Very high	8 Å²	8	26.2 Å²	26.2	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-83.6	-40.1	173.9	-179.2	0	0	0	0	112.3	A811 N812 V813 H817 D818 Y820 I837 K838 L867	A811-V815 PolarHBondContact O-N 3.29Å; N812-V815 CarbonylContact O-C 3.54Å; N812-V815 PolarHBondContact O-N 3.22Å; N812-V815 VanDerWaalsContact O-N 3.15Å; V813-V815 PolarHBondContact O-N 3.37Å; V815-H817 PolarHBondContact O-N 3.44Å; V815-D818 PolarHBondContact O-N 2.55Å; V815-Y820 HydrophobicContact CB-CD1 4.44Å; V815-Y820 HydrophobicContact CG1-CD1 4.47Å; V815-Y820 HydrophobicContact CG1-CE1 4.37Å; V815-Y820 HydrophobicContact CG2-CD1 4.27Å; V815-I837 HydrophobicContact CB-CG2 3.75Å; V815-I837 HydrophobicContact CG1-CB 4.44Å; V815-I837 HydrophobicContact CG1-CG2 3.84Å; V815-I837 HydrophobicContact CG2-CB 4.05Å; V815-I837 HydrophobicContact CG2-CD1 4.29Å; V815-I837 HydrophobicContact CG2-CG2 3.74Å; V815-K838 HydrophobicContact CG1-CG 3.57Å; V815-L867 HydrophobicContact CG2-CD1 4.35Å
816	E	94.2	Very high	94.3	Very high	40 Å²	40	27.7 Å²	27.7	19%	0.187	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-32.4	179.6	-162.5	167.8	149.8	0	0	112.8	N812 V813 H847 R850 K899	N812-E816 PolarHBondContact ND2-OE2 3.21Å; N812-E816 WeakPolarHBondContact O-CB 3.32Å; N812-E816 PolarHBondContact O-N 3.08Å; V813-E816 PolarHBondContact O-N 3.03Å; E816-H847 IonicContact OE2-ND1 2.73Å; E816-R850 IonicContact OE2-NH1 3.38Å; E816-K899 IonicContact OE1-NZ 2.8Å; E816-K899 PolarHBondContact OE1-NZ 2.87Å
817	H	94.3	Very high	93.2	Very high	51 Å²	51	29.6 Å²	29.6	24%	0.236	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	8	-177.4	-68.2	-95.8	0	0	0	114.6	K737 V813 V815 I819 F896	K737-H817 WeakPolarHBondContact CD-O 3.42Å; K737-H817 PolarHBondContact NZ-O 2.93Å; V813-H817 PolarHBondContact O-CD2 3.3Å; V813-H817 PolarHBondContact O-N 2.95Å; V813-H817 VanDerWaalsContact O-N 3.11Å; V815-H817 PolarHBondContact O-N 3.44Å; H817-I819 HydrophobicContact CB-CD1 4.46Å; H817-I819 HydrophobicContact CB-CG1 4.33Å; H817-F896 HydrophobicContact CB-CD1 4.17Å; H817-F896 HydrophobicContact CB-CE1 3.72Å; H817-F896 AromaticContact CD2-CD1 3.59Å; H817-F896 AromaticContact CE1-CD1 3.77Å; H817-F896 AromaticContact CG-CD1 3.57Å; H817-F896 AromaticContact CG-CE1 3.48Å; H817-F896 VanDerWaalsContact CG-CE1 3.48Å; H817-F896 AromaticContact ND1-CD1 3.69Å; H817-F896 AromaticContact ND1-CE1 3.51Å; H817-F896 AromaticContact NE2-CD1 3.73Å
818	D	95.1	Very high	91.9	Very high	66 Å²	66	31.5 Å²	31.5	35%	0.353	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	52.9	-172	-52.1	-73.7	0	0	0	114.6	K737 V815 Y820 P821	K737-D818 IonicContact NZ-OD2 3.15Å; V815-D818 PolarHBondContact O-N 2.55Å; D818-Y820 HydrophobicContact CB-CE1 3.96Å; D818-Y820 VanDerWaalsContact OD1-CE1 3.23Å; D818-Y820 WeakPolarHBondContact OD1-CE1 3.34Å; D818-Y820 PolarHBondContact OD1-OH 3.47Å; D818-P821 HydrophobicContact CB-CG 4.36Å; D818-P821 VanDerWaalsContact O-CD 3.25Å; D818-P821 WeakPolarHBondContact O-CD 3.41Å
819	I	95.9	Very high	90.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.202	C	C	.	.			trans	-83.8	-30.6	170.8	-64	175.2	0	0	0	110.5	L734 M752 V814 H817 P821 F822 I874 F896	L734-I819 HydrophobicContact CD1-CB 4.36Å; L734-I819 HydrophobicContact CD1-CG1 3.96Å; L734-I819 HydrophobicContact CD1-CG2 4.13Å; M752-I819 HydrophobicContact CE-CG2 3.72Å; M752-I819 HydrophobicContact SD-CG2 4.48Å; V814-I819 HydrophobicContact CB-CB 4.47Å; V814-I819 HydrophobicContact CG1-CB 4.08Å; V814-I819 HydrophobicContact CG1-CG2 4.31Å; V814-I819 HydrophobicContact CG2-CB 4.47Å; V814-I819 HydrophobicContact CG2-CG2 4.47Å; V814-I819 PolarHBondContact O-N 2.89Å; H817-I819 HydrophobicContact CB-CD1 4.46Å; H817-I819 HydrophobicContact CB-CG1 4.33Å; I819-P821 WeakPolarHBondContact O-CD 3.48Å; I819-F822 PolarHBondContact O-N 2.96Å; I819-I874 HydrophobicContact CG2-CD1 3.67Å; I819-F896 HydrophobicContact CD1-CE1 4.07Å; I819-F896 HydrophobicContact CD1-CZ 4.48Å
820	Y	94.3	Very high	90.4	Very high	29 Å²	29	34 Å²	34	11%	0.114	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-53.6	-31.2	-179.1	67.8	-88.7	0	0	0	117.5	V815 D818 F822 I823 I834 K838	V815-Y820 HydrophobicContact CB-CD1 4.44Å; V815-Y820 HydrophobicContact CG1-CD1 4.47Å; V815-Y820 HydrophobicContact CG1-CE1 4.37Å; V815-Y820 HydrophobicContact CG2-CD1 4.27Å; D818-Y820 HydrophobicContact CB-CE1 3.96Å; D818-Y820 VanDerWaalsContact OD1-CE1 3.23Å; D818-Y820 WeakPolarHBondContact OD1-CE1 3.34Å; D818-Y820 PolarHBondContact OD1-OH 3.47Å; Y820-F822 PolarHBondContact O-N 2.78Å; Y820-I823 PolarHBondContact O-N 3.07Å; Y820-I834 HydrophobicContact CD1-CG2 4.48Å; Y820-I834 HydrophobicContact CD2-CD1 4.39Å; Y820-I834 HydrophobicContact CD2-CG2 3.44Å; Y820-I834 VanDerWaalsContact CD2-CG2 3.44Å; Y820-I834 HydrophobicContact CE2-CG2 3.94Å; Y820-I834 HydrophobicContact CG-CD1 4.49Å; Y820-I834 HydrophobicContact CG-CG1 4.48Å; Y820-I834 HydrophobicContact CG-CG2 3.78Å; Y820-K838 HydrophobicContact CE1-CD 4.22Å; Y820-K838 HydrophobicContact CE2-CD 3.95Å; Y820-K838 WeakPolarHBondContact OH-CE 3.26Å; Y820-K838 PolarHBondContact OH-NZ 2.95Å
821	P	94	Very high	89.9	Confident	77 Å²	77	40 Å²	40	50%	0.5	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-65.2	-20.8	-178.3	-19.9	32.7	0	0	0	113.7	D818 I819	D818-P821 HydrophobicContact CB-CG 4.36Å; D818-P821 VanDerWaalsContact O-CD 3.25Å; D818-P821 WeakPolarHBondContact O-CD 3.41Å; I819-P821 WeakPolarHBondContact O-CD 3.48Å
822	F	95	Very high	89.4	Confident	21 Å²	21	42.9 Å²	42.9	9%	0.092	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-91.7	-13.5	-173.3	-59.1	-78.3	0	0	0	113.1	R730 F731 Q733 L734 M752 I819 Y820 D824	R730-F822 PolarHBondContact NH2-O 3.45Å; R730-F822 WeakPolarHBondContact O-CD1 3.4Å; R730-F822 VanDerWaalsContact O-CE1 3.26Å; R730-F822 WeakPolarHBondContact O-CE1 3.43Å; F731-F822 HydrophobicContact CD1-CB 4.12Å; F731-F822 HydrophobicContact CD1-CD1 4.12Å; F731-F822 HydrophobicContact CD1-CG 4.41Å; F731-F822 HydrophobicContact CE1-CB 4Å; Q733-F822 HydrophobicContact CB-CE1 4.49Å; Q733-F822 HydrophobicContact CB-CZ 3.91Å; L734-F822 HydrophobicContact CB-CD1 4.29Å; L734-F822 HydrophobicContact CB-CD2 3.95Å; L734-F822 HydrophobicContact CB-CE1 4.37Å; L734-F822 HydrophobicContact CB-CE2 4.04Å; L734-F822 HydrophobicContact CB-CG 4.1Å; L734-F822 HydrophobicContact CB-CZ 4.26Å; L734-F822 HydrophobicContact CD1-CD2 4.17Å; L734-F822 HydrophobicContact CD2-CB 3.92Å; L734-F822 HydrophobicContact CD2-CD2 4.18Å; L734-F822 HydrophobicContact CD2-CG 4.04Å; L734-F822 HydrophobicContact CG-CD2 4.33Å; M752-F822 HydrophobicContact CE-CB 3.78Å; I819-F822 PolarHBondContact O-N 2.96Å; Y820-F822 PolarHBondContact O-N 2.78Å; F822-D824 PolarHBondContact O-N 3.17Å
823	I	94	Very high	89.2	Confident	9 Å²	9	43.1 Å²	43.1	5%	0.046	26%	0.256	C	S	.	.			trans	-65.3	130.3	-178.2	-52.4	175.5	0	0	0	109.9	M752 V814 Y820 F825 L830 L867 V870	M752-I823 HydrophobicContact CE-CB 4.42Å; M752-I823 HydrophobicContact CE-CG1 3.56Å; M752-I823 CarbonylContact O-C 3.29Å; M752-I823 WeakPolarHBondContact O-CA 3.29Å; V814-I823 HydrophobicContact CG1-CD1 4.49Å; Y820-I823 PolarHBondContact O-N 3.07Å; I823-F825 HydrophobicContact CB-CD1 4.05Å; I823-F825 HydrophobicContact CB-CE1 4.38Å; I823-F825 HydrophobicContact CG2-CD1 3.86Å; I823-F825 VanDerWaalsContact O-CD1 3.32Å; I823-F825 WeakPolarHBondContact O-CD1 3.28Å; I823-L830 HydrophobicContact CG2-CD2 4.16Å; I823-L867 HydrophobicContact CD1-CD2 3.8Å; I823-V870 HydrophobicContact CD1-CB 4.45Å; I823-V870 HydrophobicContact CD1-CG1 4.09Å; I823-V870 HydrophobicContact CD1-CG2 4.28Å; I823-V870 HydrophobicContact CG1-CG1 4.12Å; I823-V870 HydrophobicContact CG2-CG2 4.29Å
824	D	92.3	Very high	89	Confident	22 Å²	22	43.4 Å²	43.4	12%	0.118	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-95.8	109.5	177.4	-156.7	-51	0	0	0	110.1	R730 M752 H754 S757 N759 F822	R730-D824 IonicContact CZ-OD2 3.86Å; R730-D824 IonicContact NH1-OD2 3.37Å; R730-D824 PolarHBondContact NH1-OD2 3.36Å; R730-D824 IonicContact NH2-OD2 2.63Å; R730-D824 PolarHBondContact NH2-OD2 2.99Å; M752-D824 PolarHBondContact O-N 3.17Å; H754-D824 PolarHBondContact N-O 3.37Å; S757-D824 VanDerWaalsContact CB-OD1 3.28Å; S757-D824 WeakPolarHBondContact CB-OD1 3.43Å; S757-D824 PolarHBondContact OG-OD1 2.94Å; N759-D824 PolarHBondContact ND2-OD2 3.32Å; F822-D824 PolarHBondContact O-N 3.17Å
825	F	90	Very high	88.9	Confident	59 Å²	59	47.2 Å²	47.2	26%	0.259	28%	0.278	S	S	.	.			trans	-149.1	142.4	-175.8	63.6	-87.7	0	0	0	112.4	H754 I823 N827 L830 K831	H754-F825 HydrophobicContact CB-CB 4.04Å; I823-F825 HydrophobicContact CB-CD1 4.05Å; I823-F825 HydrophobicContact CB-CE1 4.38Å; I823-F825 HydrophobicContact CG2-CD1 3.86Å; I823-F825 VanDerWaalsContact O-CD1 3.32Å; I823-F825 WeakPolarHBondContact O-CD1 3.28Å; F825-N827 WeakPolarHBondContact CD2-O 3.43Å; F825-N827 WeakPolarHBondContact CE2-O 3.33Å; F825-L830 HydrophobicContact CB-CD2 4.2Å; F825-L830 HydrophobicContact CD1-CD2 3.71Å; F825-L830 HydrophobicContact CD2-CB 4.02Å; F825-L830 HydrophobicContact CD2-CD2 4.17Å; F825-L830 HydrophobicContact CE1-CD2 4.04Å; F825-L830 HydrophobicContact CE2-CB 3.99Å; F825-L830 HydrophobicContact CE2-CD2 4.47Å; F825-L830 HydrophobicContact CG-CB 4.47Å; F825-L830 HydrophobicContact CG-CD2 3.77Å; F825-L830 HydrophobicContact CZ-CB 4.42Å; F825-L830 HydrophobicContact CZ-CD2 4.4Å; F825-L830 HydrophobicContact CZ-CG 4.48Å; F825-K831 HydrophobicContact CE2-CB 4.32Å; F825-K831 HydrophobicContact CZ-CB 4.39Å
826	G	81	Confident	88.7	Confident	62 Å²	62	49.2 Å²	49.2	64%	0.639	29%	0.288	S	S	*	.			trans	-92.8	-4.2	177	0	0	0	0	0	115.6	S756	S756-G826 PolarHBondContact OG-N 3.46Å; S756-G826 VanDerWaalsContact OG-N 3.14Å
827	N	71.8	Confident	88.8	Confident	74 Å²	74	47.3 Å²	47.3	40%	0.396	28%	0.28	S	S	.	.			trans	-105.8	127.6	-169.9	-173.1	-7	0	0	0	112.9	F825 S829	F825-N827 WeakPolarHBondContact CD2-O 3.43Å; F825-N827 WeakPolarHBondContact CE2-O 3.33Å; N827-S829 VanDerWaalsContact CG-OG 3.31Å; N827-S829 PolarHBondContact ND2-OG 3.02Å; N827-S829 VanDerWaalsContact ND2-OG 3.14Å; N827-S829 PolarHBondContact O-N 2.89Å; N827-S829 PolarHBondContact OD1-N 3.23Å; N827-S829 PolarHBondContact OD1-OG 3.2Å
828	C	69.1	Low	88.8	Confident	108 Å²	108	48.2 Å²	48.2	73%	0.73	28%	0.283	S	S	*	.	H	α-helix	trans	-62.6	-22.8	178.3	59	0	0	0	0	114.7	L830 K831 A832	C828-L830 VanDerWaalsContact C-N 3.33Å; C828-L830 PolarHBondContact O-N 3.29Å; C828-K831 WeakPolarHBondContact O-CB 3.36Å; C828-K831 PolarHBondContact O-N 3.44Å; C828-A832 PolarHBondContact O-N 3.32Å
829	S	76.4	Confident	88.8	Confident	73 Å²	73	46.9 Å²	46.9	51%	0.51	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-34.9	-177.4	67.8	0	0	0	0	113.6	N827 K831 A832 C833	N827-S829 VanDerWaalsContact CG-OG 3.31Å; N827-S829 PolarHBondContact ND2-OG 3.02Å; N827-S829 VanDerWaalsContact ND2-OG 3.14Å; N827-S829 PolarHBondContact O-N 2.89Å; N827-S829 PolarHBondContact OD1-N 3.23Å; N827-S829 PolarHBondContact OD1-OG 3.2Å; S829-K831 VanDerWaalsContact C-N 3.34Å; S829-A832 PolarHBondContact O-N 3.01Å; S829-C833 PolarHBondContact O-N 3Å
830	L	84.7	Confident	88.8	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-35.5	178.9	-175	59.5	0	0	0	111.7	I823 F825 C828 C833 I834 V866 L867	I823-L830 HydrophobicContact CG2-CD2 4.16Å; F825-L830 HydrophobicContact CB-CD2 4.2Å; F825-L830 HydrophobicContact CD1-CD2 3.71Å; F825-L830 HydrophobicContact CD2-CB 4.02Å; F825-L830 HydrophobicContact CD2-CD2 4.17Å; F825-L830 HydrophobicContact CE1-CD2 4.04Å; F825-L830 HydrophobicContact CE2-CB 3.99Å; F825-L830 HydrophobicContact CE2-CD2 4.47Å; F825-L830 HydrophobicContact CG-CB 4.47Å; F825-L830 HydrophobicContact CG-CD2 3.77Å; F825-L830 HydrophobicContact CZ-CB 4.42Å; F825-L830 HydrophobicContact CZ-CD2 4.4Å; F825-L830 HydrophobicContact CZ-CG 4.48Å; C828-L830 VanDerWaalsContact C-N 3.33Å; C828-L830 PolarHBondContact O-N 3.29Å; L830-C833 WeakPolarHBondContact O-CB 3.49Å; L830-C833 PolarHBondContact O-N 3.31Å; L830-I834 HydrophobicContact CG-CD1 4.09Å; L830-I834 WeakPolarHBondContact O-CG1 3.16Å; L830-I834 PolarHBondContact O-N 3.15Å; L830-V866 HydrophobicContact CD1-CB 3.98Å; L830-V866 HydrophobicContact CD1-CG1 4.03Å; L830-V866 HydrophobicContact CD2-CG1 3.81Å; L830-L867 HydrophobicContact CD1-CD2 3.87Å; L830-L867 HydrophobicContact CD1-CG 4.06Å
831	K	85.8	Confident	88.7	Confident	128 Å²	128	47.2 Å²	47.2	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-61.9	-45.8	176	-174.6	176.9	179.4	178.9	0	111.4	F825 C828 S829 C833 I834 D835	F825-K831 HydrophobicContact CE2-CB 4.32Å; F825-K831 HydrophobicContact CZ-CB 4.39Å; C828-K831 WeakPolarHBondContact O-CB 3.36Å; C828-K831 PolarHBondContact O-N 3.44Å; S829-K831 VanDerWaalsContact C-N 3.34Å; K831-C833 VanDerWaalsContact C-N 3.27Å; K831-C833 PolarHBondContact O-N 3.26Å; K831-I834 PolarHBondContact O-N 2.95Å; K831-D835 PolarHBondContact O-N 3.12Å
832	A	86.6	Confident	88.8	Confident	60 Å²	60	52.8 Å²	52.8	50%	0.496	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-40	175.1	0	0	0	0	0	111.9	C828 S829 D835 D836	C828-A832 PolarHBondContact O-N 3.32Å; S829-A832 PolarHBondContact O-N 3.01Å; A832-D835 PolarHBondContact O-N 3.02Å; A832-D836 PolarHBondContact O-N 3.47Å
833	C	91.3	Very high	88.7	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.027	32%	0.315	C	S	.	.	H	α-helix	trans	-62.9	-44.1	176.1	-174.1	0	0	0	0	113	S829 L830 K831 D836 I837 L862 N863	S829-C833 PolarHBondContact O-N 3Å; L830-C833 WeakPolarHBondContact O-CB 3.49Å; L830-C833 PolarHBondContact O-N 3.31Å; K831-C833 VanDerWaalsContact C-N 3.27Å; K831-C833 PolarHBondContact O-N 3.26Å; C833-D836 PolarHBondContact O-N 3.47Å; C833-I837 WeakPolarHBondContact O-CG1 3.38Å; C833-I837 PolarHBondContact O-N 3.26Å; C833-I837 VanDerWaalsContact O-N 3.15Å; C833-L862 HydrophobicContact CB-CD1 4.08Å; C833-N863 PolarHBondContact SG-O 2.89Å
834	I	92.2	Very high	88.7	Confident	9 Å²	9	58 Å²	58	5%	0.046	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-46	176.5	-69	159.8	0	0	0	110.4	Y820 L830 K831 D836 I837 K838 L867	Y820-I834 HydrophobicContact CD1-CG2 4.48Å; Y820-I834 HydrophobicContact CD2-CD1 4.39Å; Y820-I834 HydrophobicContact CD2-CG2 3.44Å; Y820-I834 VanDerWaalsContact CD2-CG2 3.44Å; Y820-I834 HydrophobicContact CE2-CG2 3.94Å; Y820-I834 HydrophobicContact CG-CD1 4.49Å; Y820-I834 HydrophobicContact CG-CG1 4.48Å; Y820-I834 HydrophobicContact CG-CG2 3.78Å; L830-I834 HydrophobicContact CG-CD1 4.09Å; L830-I834 WeakPolarHBondContact O-CG1 3.16Å; L830-I834 PolarHBondContact O-N 3.15Å; K831-I834 PolarHBondContact O-N 2.95Å; I834-D836 VanDerWaalsContact C-N 3.33Å; I834-D836 PolarHBondContact O-N 3.05Å; I834-I837 PolarHBondContact O-N 3.44Å; I834-K838 HydrophobicContact CG2-CD 3.74Å; I834-K838 HydrophobicContact CG2-CG 4.32Å; I834-K838 WeakPolarHBondContact O-CB 3.33Å; I834-K838 VanDerWaalsContact O-CG 3.27Å; I834-K838 WeakPolarHBondContact O-CG 3.41Å; I834-K838 PolarHBondContact O-N 3.03Å; I834-L867 HydrophobicContact CD1-CD2 4.4Å; I834-L867 HydrophobicContact CG1-CD1 4.37Å; I834-L867 HydrophobicContact CG1-CD2 4.05Å
835	D	92.5	Very high	88.5	Confident	79 Å²	79	63.9 Å²	63.9	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-35.2	-178.4	-72.3	-31.9	0	0	0	112.4	K831 A832 S839	K831-D835 PolarHBondContact O-N 3.12Å; A832-D835 PolarHBondContact O-N 3.02Å; D835-S839 PolarHBondContact O-N 2.9Å
836	D	93.1	Very high	88.6	Confident	50 Å²	50	63.7 Å²	63.7	27%	0.267	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-47.9	174.3	-114.2	-15.6	0	0	0	112.1	A832 C833 I834 K838 S839 I840 K857 L862	A832-D836 PolarHBondContact O-N 3.47Å; C833-D836 PolarHBondContact O-N 3.47Å; I834-D836 VanDerWaalsContact C-N 3.33Å; I834-D836 PolarHBondContact O-N 3.05Å; D836-K838 VanDerWaalsContact C-N 3.35Å; D836-K838 PolarHBondContact O-N 3.41Å; D836-S839 WeakPolarHBondContact O-CA 3.32Å; D836-S839 WeakPolarHBondContact O-CB 3.38Å; D836-S839 PolarHBondContact O-N 3.21Å; D836-I840 PolarHBondContact O-N 3.23Å; D836-I840 VanDerWaalsContact O-N 3.16Å; D836-K857 WeakPolarHBondContact OD1-CE 3.36Å; D836-K857 IonicContact OD1-NZ 3.89Å; D836-K857 PolarHBondContact OD1-NZ 2.97Å; D836-K857 IonicContact OD2-NZ 3.54Å; D836-K857 PolarHBondContact OD2-NZ 3.22Å; D836-L862 HydrophobicContact CB-CD1 4.08Å; D836-L862 HydrophobicContact CB-CD2 4.42Å
837	I	94.7	Very high	88.8	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-65.2	-40.6	176.8	-60.3	171.1	0	0	0	110.2	A811 V815 C833 I834 S839 I840 H841 I854 L862 V864 L867	A811-I837 HydrophobicContact CB-CD1 4.29Å; V815-I837 HydrophobicContact CB-CG2 3.75Å; V815-I837 HydrophobicContact CG1-CB 4.44Å; V815-I837 HydrophobicContact CG1-CG2 3.84Å; V815-I837 HydrophobicContact CG2-CB 4.05Å; V815-I837 HydrophobicContact CG2-CD1 4.29Å; V815-I837 HydrophobicContact CG2-CG2 3.74Å; C833-I837 WeakPolarHBondContact O-CG1 3.38Å; C833-I837 PolarHBondContact O-N 3.26Å; C833-I837 VanDerWaalsContact O-N 3.15Å; I834-I837 PolarHBondContact O-N 3.44Å; I837-S839 PolarHBondContact O-N 2.89Å; I837-I840 WeakPolarHBondContact O-CA 3.43Å; I837-I840 WeakPolarHBondContact O-CB 3.32Å; I837-I840 PolarHBondContact O-N 2.76Å; I837-H841 PolarHBondContact O-CD2 3.5Å; I837-H841 PolarHBondContact O-N 2.96Å; I837-I854 HydrophobicContact CG1-CG1 4.46Å; I837-I854 HydrophobicContact CG2-CD1 3.99Å; I837-I854 HydrophobicContact CG2-CG1 4.46Å; I837-L862 HydrophobicContact CG1-CD2 4.33Å; I837-V864 HydrophobicContact CD1-CG1 4.14Å; I837-L867 HydrophobicContact CD1-CD1 3.67Å
838	K	95.5	Very high	89.5	Confident	70 Å²	70	66 Å²	66	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-63.8	-22.3	172.8	-71.2	179	71.7	168.4	0	113.2	V815 Y820 I834 D836 R842	V815-K838 HydrophobicContact CG1-CG 3.57Å; Y820-K838 HydrophobicContact CE1-CD 4.22Å; Y820-K838 HydrophobicContact CE2-CD 3.95Å; Y820-K838 WeakPolarHBondContact OH-CE 3.26Å; Y820-K838 PolarHBondContact OH-NZ 2.95Å; I834-K838 HydrophobicContact CG2-CD 3.74Å; I834-K838 HydrophobicContact CG2-CG 4.32Å; I834-K838 WeakPolarHBondContact O-CB 3.33Å; I834-K838 VanDerWaalsContact O-CG 3.27Å; I834-K838 WeakPolarHBondContact O-CG 3.41Å; I834-K838 PolarHBondContact O-N 3.03Å; D836-K838 VanDerWaalsContact C-N 3.35Å; D836-K838 PolarHBondContact O-N 3.41Å; K838-R842 WeakPolarHBondContact O-CG 3.44Å; K838-R842 PolarHBondContact O-NE 3.34Å
839	S	95	Very high	90.5	Very high	38 Å²	38	65 Å²	65	27%	0.266	33%	0.33	S	S	.	.	H	α-helix	trans	-70.2	-44.4	168.4	-164.4	0	0	0	0	111.2	D835 D836 I837 R842 Q843	D835-S839 PolarHBondContact O-N 2.9Å; D836-S839 WeakPolarHBondContact O-CA 3.32Å; D836-S839 WeakPolarHBondContact O-CB 3.38Å; D836-S839 PolarHBondContact O-N 3.21Å; I837-S839 PolarHBondContact O-N 2.89Å; S839-R842 WeakPolarHBondContact O-CB 3.45Å; S839-R842 PolarHBondContact O-N 3.36Å; S839-R842 VanDerWaalsContact O-N 3.14Å; S839-Q843 WeakPolarHBondContact O-CG 3.29Å; S839-Q843 PolarHBondContact O-N 3.42Å; S839-Q843 PolarHBondContact O-NE2 2.96Å; S839-Q843 PolarHBondContact OG-NE2 3.01Å
840	I	94.6	Very high	91.4	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-43.2	177.4	-65.4	168.5	0	0	0	111.5	D836 I837 R842 Q843 T844 R850 L853 I854 K857	D836-I840 PolarHBondContact O-N 3.23Å; D836-I840 VanDerWaalsContact O-N 3.16Å; I837-I840 WeakPolarHBondContact O-CA 3.43Å; I837-I840 WeakPolarHBondContact O-CB 3.32Å; I837-I840 PolarHBondContact O-N 2.76Å; I840-R842 PolarHBondContact O-N 2.9Å; I840-R842 VanDerWaalsContact O-N 3.17Å; I840-Q843 WeakPolarHBondContact O-CB 3.27Å; I840-Q843 PolarHBondContact O-N 2.76Å; I840-T844 PolarHBondContact O-N 3.16Å; I840-R850 HydrophobicContact CG2-CB 4.2Å; I840-R850 HydrophobicContact CG2-CG 4.18Å; I840-L853 HydrophobicContact CD1-CB 4.06Å; I840-L853 HydrophobicContact CG1-CB 4.21Å; I840-L853 HydrophobicContact CG2-CB 3.76Å; I840-L853 HydrophobicContact CG2-CD1 3.94Å; I840-I854 HydrophobicContact CD1-CB 4.39Å; I840-I854 HydrophobicContact CD1-CG1 3.63Å; I840-I854 HydrophobicContact CG2-CG1 4.4Å; I840-K857 HydrophobicContact CD1-CG 4.17Å
841	H	94.2	Very high	91.7	Very high	32 Å²	32	63.8 Å²	63.8	15%	0.148	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-23.7	176	-78.2	-124	0	0	0	113.6	N812 I837	N812-H841 PolarHBondContact OD1-NE2 3.07Å; I837-H841 PolarHBondContact O-CD2 3.5Å; I837-H841 PolarHBondContact O-N 2.96Å
842	R	94.5	Very high	92	Very high	194 Å²	194	61.7 Å²	61.7	73%	0.732	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.6	174	-74.3	177.4	-74.8	169.4	-2.5	113.5	K838 S839 I840	K838-R842 WeakPolarHBondContact O-CG 3.44Å; K838-R842 PolarHBondContact O-NE 3.34Å; S839-R842 WeakPolarHBondContact O-CB 3.45Å; S839-R842 PolarHBondContact O-N 3.36Å; S839-R842 VanDerWaalsContact O-N 3.14Å; I840-R842 PolarHBondContact O-N 2.9Å; I840-R842 VanDerWaalsContact O-N 3.17Å
843	Q	94.1	Very high	92.3	Very high	122 Å²	122	60.8 Å²	60.8	57%	0.57	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-32	179.3	-68.8	166	26.8	0	0	112	S839 I840	S839-Q843 WeakPolarHBondContact O-CG 3.29Å; S839-Q843 PolarHBondContact O-N 3.42Å; S839-Q843 PolarHBondContact O-NE2 2.96Å; S839-Q843 PolarHBondContact OG-NE2 3.01Å; I840-Q843 WeakPolarHBondContact O-CB 3.27Å; I840-Q843 PolarHBondContact O-N 2.76Å
844	T	93.1	Very high	92.4	Very high	16 Å²	16	60.6 Å²	60.6	10%	0.098	29%	0.293	C	S	.	.			trans	-151	145.2	-177.1	-179.2	0	0	0	0	113.2	I840 S846 E849 R850 L853	I840-T844 PolarHBondContact O-N 3.16Å; T844-S846 WeakPolarHBondContact OG1-CB 3.37Å; T844-S846 PolarHBondContact OG1-N 3.23Å; T844-E849 WeakPolarHBondContact CB-OE2 3.48Å; T844-E849 HydrophobicContact CG2-CB 3.93Å; T844-E849 HydrophobicContact CG2-CG 3.93Å; T844-E849 PolarHBondContact OG1-OE2 2.85Å; T844-R850 HydrophobicContact CG2-CG 3.87Å; T844-R850 VanDerWaalsContact O-CZ 3.31Å; T844-R850 PolarHBondContact O-NE 3.4Å; T844-R850 PolarHBondContact O-NH2 3.5Å; T844-L853 HydrophobicContact CG2-CD1 4.09Å
845	D	89.2	Confident	92.4	Very high	147 Å²	147	62.8 Å²	62.8	79%	0.786	31%	0.307	S	S	*	.			trans	-88.9	-12.1	170.1	-72.5	-43.5	0	0	0	113.4	H847 R850	D845-H847 PolarHBondContact O-N 3.48Å; D845-R850 IonicContact OD1-NH2 2.74Å; D845-R850 PolarHBondContact OD1-NH2 3.14Å
846	S	90.3	Very high	92.5	Very high	54 Å²	54	64.1 Å²	64.1	38%	0.378	31%	0.309	S	S	.	.			trans	-74.1	113.9	179.2	177.5	0	0	0	0	111	T844 F848 E849 R850	T844-S846 WeakPolarHBondContact OG1-CB 3.37Å; T844-S846 PolarHBondContact OG1-N 3.23Å; S846-F848 VanDerWaalsContact C-N 3.25Å; S846-F848 PolarHBondContact O-N 3.05Å; S846-E849 PolarHBondContact O-N 3.2Å; S846-E849 VanDerWaalsContact O-N 3.15Å; S846-E849 PolarHBondContact OG-N 2.96Å; S846-R850 WeakPolarHBondContact O-CG 3.43Å; S846-R850 PolarHBondContact O-N 3.28Å
847	H	87.1	Confident	92.5	Very high	37 Å²	37	65.3 Å²	65.3	17%	0.171	31%	0.312	C	S	.	.	H	α-helix	trans	-54.6	-40.8	175.6	175.8	84.9	0	0	0	112.1	N809 E816 D845 R850 I851 T900	N809-H847 PolarHBondContact OD1-CE1 3.37Å; N809-H847 PolarHBondContact OD1-NE2 3.44Å; E816-H847 IonicContact OE2-ND1 2.73Å; D845-H847 PolarHBondContact O-N 3.48Å; H847-R850 PolarHBondContact O-N 3.3Å; H847-I851 WeakPolarHBondContact O-CG1 3.49Å; H847-I851 PolarHBondContact O-N 3.32Å; H847-I851 VanDerWaalsContact O-N 3.13Å; H847-T900 PolarHBondContact CE1-OG1 3.16Å; H847-T900 PolarHBondContact NE2-OG1 3.06Å
848	F	85.5	Confident	92.3	Very high	149 Å²	149	67.6 Å²	67.6	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-63.4	-43.9	178.1	-177	-91.5	0	0	0	112.3	S846 I851 E852	S846-F848 VanDerWaalsContact C-N 3.25Å; S846-F848 PolarHBondContact O-N 3.05Å; F848-I851 PolarHBondContact O-N 3.29Å; F848-E852 PolarHBondContact O-N 2.94Å
849	E	91.1	Very high	92.1	Very high	87 Å²	87	69.2 Å²	69.2	41%	0.407	35%	0.345	S	S	.	.	H	α-helix	trans	-68.4	-35.2	179.6	-166.6	-178.2	-177.2	0	0	111.7	T844 S846 E852 L853	T844-E849 WeakPolarHBondContact CB-OE2 3.48Å; T844-E849 HydrophobicContact CG2-CB 3.93Å; T844-E849 HydrophobicContact CG2-CG 3.93Å; T844-E849 PolarHBondContact OG1-OE2 2.85Å; S846-E849 PolarHBondContact O-N 3.2Å; S846-E849 VanDerWaalsContact O-N 3.15Å; S846-E849 PolarHBondContact OG-N 2.96Å; E849-E852 PolarHBondContact O-N 3.17Å; E849-L853 HydrophobicContact CG-CD1 4.12Å; E849-L853 HydrophobicContact CG-CG 4.48Å; E849-L853 WeakPolarHBondContact O-CB 3.34Å; E849-L853 VanDerWaalsContact O-CG 3.28Å; E849-L853 WeakPolarHBondContact O-CG 3.45Å; E849-L853 PolarHBondContact O-N 3.04Å
850	R	93.7	Very high	91.9	Very high	22 Å²	22	72.3 Å²	72.3	8%	0.083	37%	0.367	C	S	.	.	H	α-helix	trans	-57.6	-49.4	170.4	-66.9	176.5	-178.3	167.2	-3.1	111.2	N812 E816 I840 T844 D845 S846 H847 E852 L853 I854	N812-R850 WeakPolarHBondContact OD1-CB 3.48Å; E816-R850 IonicContact OE2-NH1 3.38Å; I840-R850 HydrophobicContact CG2-CB 4.2Å; I840-R850 HydrophobicContact CG2-CG 4.18Å; T844-R850 HydrophobicContact CG2-CG 3.87Å; T844-R850 VanDerWaalsContact O-CZ 3.31Å; T844-R850 PolarHBondContact O-NE 3.4Å; T844-R850 PolarHBondContact O-NH2 3.5Å; D845-R850 IonicContact OD1-NH2 2.74Å; D845-R850 PolarHBondContact OD1-NH2 3.14Å; S846-R850 WeakPolarHBondContact O-CG 3.43Å; S846-R850 PolarHBondContact O-N 3.28Å; H847-R850 PolarHBondContact O-N 3.3Å; R850-E852 VanDerWaalsContact C-N 3.34Å; R850-E852 PolarHBondContact O-N 2.57Å; R850-L853 PolarHBondContact O-N 2.77Å; R850-I854 WeakPolarHBondContact O-CB 3.47Å; R850-I854 WeakPolarHBondContact O-CD1 3.48Å; R850-I854 WeakPolarHBondContact O-CG1 3.41Å; R850-I854 PolarHBondContact O-N 3.13Å
851	I	91.2	Very high	91.7	Very high	36 Å²	36	75.2 Å²	75.2	19%	0.185	40%	0.399	C	S	.	.	H	α-helix	trans	-59.9	-43.3	178.1	-63.5	-63.4	0	0	0	111.2	I808 N809 N812 H847 F848 T855	I808-I851 HydrophobicContact CG2-CD1 4.09Å; I808-I851 HydrophobicContact CG2-CG2 4.04Å; N809-I851 HydrophobicContact CB-CD1 4.1Å; N812-I851 HydrophobicContact CB-CD1 3.85Å; H847-I851 WeakPolarHBondContact O-CG1 3.49Å; H847-I851 PolarHBondContact O-N 3.32Å; H847-I851 VanDerWaalsContact O-N 3.13Å; F848-I851 PolarHBondContact O-N 3.29Å; I851-T855 WeakPolarHBondContact O-CB 3.41Å; I851-T855 PolarHBondContact O-N 3.25Å; I851-T855 PolarHBondContact O-OG1 3.35Å
852	E	91.6	Very high	91.4	Very high	85 Å²	85	74.7 Å²	74.7	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-63.4	-45.3	177.3	-164	-166.7	143.9	0	0	112.4	F848 E849 R850 T855 K856	F848-E852 PolarHBondContact O-N 2.94Å; E849-E852 PolarHBondContact O-N 3.17Å; R850-E852 VanDerWaalsContact C-N 3.34Å; R850-E852 PolarHBondContact O-N 2.57Å; E852-T855 WeakPolarHBondContact O-CB 3.46Å; E852-T855 PolarHBondContact O-N 3.04Å; E852-K856 WeakPolarHBondContact O-CG 3.19Å; E852-K856 PolarHBondContact O-N 3.24Å; E852-K856 WeakPolarHBondContact OE1-CE 3.21Å; E852-K856 IonicContact OE1-NZ 2.7Å; E852-K856 PolarHBondContact OE1-NZ 3.41Å
853	L	94.2	Very high	91.2	Very high	41 Å²	41	70.8 Å²	70.8	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-66.7	-40	178.7	-70.5	171	0	0	0	112.3	I840 T844 E849 R850 T855 K856 K857	I840-L853 HydrophobicContact CD1-CB 4.06Å; I840-L853 HydrophobicContact CG1-CB 4.21Å; I840-L853 HydrophobicContact CG2-CB 3.76Å; I840-L853 HydrophobicContact CG2-CD1 3.94Å; T844-L853 HydrophobicContact CG2-CD1 4.09Å; E849-L853 HydrophobicContact CG-CD1 4.12Å; E849-L853 HydrophobicContact CG-CG 4.48Å; E849-L853 WeakPolarHBondContact O-CB 3.34Å; E849-L853 VanDerWaalsContact O-CG 3.28Å; E849-L853 WeakPolarHBondContact O-CG 3.45Å; E849-L853 PolarHBondContact O-N 3.04Å; R850-L853 PolarHBondContact O-N 2.77Å; L853-T855 VanDerWaalsContact C-N 3.34Å; L853-K856 PolarHBondContact O-N 2.76Å; L853-K857 PolarHBondContact O-N 3.14Å; L853-K857 VanDerWaalsContact O-N 3.1Å
854	I	93.4	Very high	91.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65	-41.5	174	-63.4	162.3	0	0	0	109.5	I808 N812 I837 I840 R850 K856 K857 V858 V864	I808-I854 HydrophobicContact CG2-CB 4.05Å; I808-I854 HydrophobicContact CG2-CG2 3.81Å; N812-I854 HydrophobicContact CB-CD1 3.79Å; I837-I854 HydrophobicContact CG1-CG1 4.46Å; I837-I854 HydrophobicContact CG2-CD1 3.99Å; I837-I854 HydrophobicContact CG2-CG1 4.46Å; I840-I854 HydrophobicContact CD1-CB 4.39Å; I840-I854 HydrophobicContact CD1-CG1 3.63Å; I840-I854 HydrophobicContact CG2-CG1 4.4Å; R850-I854 WeakPolarHBondContact O-CB 3.47Å; R850-I854 WeakPolarHBondContact O-CD1 3.48Å; R850-I854 WeakPolarHBondContact O-CG1 3.41Å; R850-I854 PolarHBondContact O-N 3.13Å; I854-K856 VanDerWaalsContact C-N 3.35Å; I854-K856 PolarHBondContact O-N 3.48Å; I854-K857 CarbonylContact O-C 3.59Å; I854-K857 WeakPolarHBondContact O-CB 3.47Å; I854-K857 PolarHBondContact O-N 3.38Å; I854-K857 VanDerWaalsContact O-N 3.1Å; I854-V858 HydrophobicContact CG2-CG2 4.16Å; I854-V858 WeakPolarHBondContact O-CG2 3.29Å; I854-V858 PolarHBondContact O-N 2.99Å; I854-V864 HydrophobicContact CG2-CG1 4.17Å
855	T	92.5	Very high	91.1	Very high	54 Å²	54	68.7 Å²	68.7	33%	0.331	38%	0.379	S	S	.	.	H	α-helix	trans	-56.8	-47.2	176	-55.9	0	0	0	0	111.3	I808 I851 E852 L853 K857 V858 S859	I808-T855 HydrophobicContact CD1-CG2 4.23Å; I851-T855 WeakPolarHBondContact O-CB 3.41Å; I851-T855 PolarHBondContact O-N 3.25Å; I851-T855 PolarHBondContact O-OG1 3.35Å; E852-T855 WeakPolarHBondContact O-CB 3.46Å; E852-T855 PolarHBondContact O-N 3.04Å; L853-T855 VanDerWaalsContact C-N 3.34Å; T855-K857 VanDerWaalsContact C-N 3.32Å; T855-K857 PolarHBondContact O-N 3.18Å; T855-V858 PolarHBondContact O-N 3.16Å; T855-S859 PolarHBondContact O-N 3.32Å; T855-S859 PolarHBondContact O-OG 3.31Å; T855-S859 VanDerWaalsContact O-OG 3.07Å
856	K	93.3	Very high	91.3	Very high	108 Å²	108	62.8 Å²	62.8	47%	0.47	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-39.5	175.7	-69.4	168.7	-174.4	168	0	112.5	E852 L853 I854 S860	E852-K856 WeakPolarHBondContact O-CG 3.19Å; E852-K856 PolarHBondContact O-N 3.24Å; E852-K856 WeakPolarHBondContact OE1-CE 3.21Å; E852-K856 IonicContact OE1-NZ 2.7Å; E852-K856 PolarHBondContact OE1-NZ 3.41Å; L853-K856 PolarHBondContact O-N 2.76Å; I854-K856 VanDerWaalsContact C-N 3.35Å; I854-K856 PolarHBondContact O-N 3.48Å; K856-S860 PolarHBondContact O-N 3.23Å; K856-S860 PolarHBondContact O-OG 3.41Å
857	K	93	Very high	91.5	Very high	75 Å²	75	60.2 Å²	60.2	33%	0.326	33%	0.33	S	S	.	.	H	α-helix	trans	-68.2	-40.4	175.2	-81.8	-73.7	-159.6	151.2	0	112.8	D836 I840 L853 I854 T855 S860 G861 L862	D836-K857 WeakPolarHBondContact OD1-CE 3.36Å; D836-K857 IonicContact OD1-NZ 3.89Å; D836-K857 PolarHBondContact OD1-NZ 2.97Å; D836-K857 IonicContact OD2-NZ 3.54Å; D836-K857 PolarHBondContact OD2-NZ 3.22Å; I840-K857 HydrophobicContact CD1-CG 4.17Å; L853-K857 PolarHBondContact O-N 3.14Å; L853-K857 VanDerWaalsContact O-N 3.1Å; I854-K857 CarbonylContact O-C 3.59Å; I854-K857 WeakPolarHBondContact O-CB 3.47Å; I854-K857 PolarHBondContact O-N 3.38Å; I854-K857 VanDerWaalsContact O-N 3.1Å; T855-K857 VanDerWaalsContact C-N 3.32Å; T855-K857 PolarHBondContact O-N 3.18Å; K857-S860 CarbonylContact O-C 3.48Å; K857-S860 WeakPolarHBondContact O-CA 3.45Å; K857-S860 WeakPolarHBondContact O-CB 3.25Å; K857-S860 PolarHBondContact O-N 2.7Å; K857-G861 PolarHBondContact O-N 3.36Å; K857-L862 HydrophobicContact CB-CB 4.06Å; K857-L862 HydrophobicContact CB-CD2 3.72Å; K857-L862 WeakPolarHBondContact O-CB 3.49Å; K857-L862 PolarHBondContact O-N 2.88Å
858	V	91.4	Very high	92	Very high	48 Å²	48	58.4 Å²	58.4	29%	0.291	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-44.2	175.2	172.6	0	0	0	0	110.6	I808 I854 T855 S860 G861 L862 V864	I808-V858 HydrophobicContact CG1-CG2 4.17Å; I854-V858 HydrophobicContact CG2-CG2 4.16Å; I854-V858 WeakPolarHBondContact O-CG2 3.29Å; I854-V858 PolarHBondContact O-N 2.99Å; T855-V858 PolarHBondContact O-N 3.16Å; V858-S860 PolarHBondContact O-N 3.32Å; V858-S860 VanDerWaalsContact O-N 3.14Å; V858-G861 PolarHBondContact O-N 2.93Å; V858-L862 HydrophobicContact CG2-CB 4.46Å; V858-L862 WeakPolarHBondContact CG2-O 3.43Å; V858-V864 HydrophobicContact CG2-CB 4.41Å; V858-V864 HydrophobicContact CG2-CG1 3.67Å; V858-V864 HydrophobicContact CG2-CG2 3.82Å
859	S	91.3	Very high	92.5	Very high	103 Å²	103	51.6 Å²	51.6	72%	0.72	29%	0.292	S	S	*	.	H	α-helix	trans	-59.8	-22	171.3	-55.2	0	0	0	0	113.5	T855	T855-S859 PolarHBondContact O-N 3.32Å; T855-S859 PolarHBondContact O-OG 3.31Å; T855-S859 VanDerWaalsContact O-OG 3.07Å
860	S	91.2	Very high	92.8	Very high	103 Å²	103	47.5 Å²	47.5	72%	0.72	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	7.8	175.1	-50.7	0	0	0	0	113.6	K856 K857 V858	K856-S860 PolarHBondContact O-N 3.23Å; K856-S860 PolarHBondContact O-OG 3.41Å; K857-S860 CarbonylContact O-C 3.48Å; K857-S860 WeakPolarHBondContact O-CA 3.45Å; K857-S860 WeakPolarHBondContact O-CB 3.25Å; K857-S860 PolarHBondContact O-N 2.7Å; V858-S860 PolarHBondContact O-N 3.32Å; V858-S860 VanDerWaalsContact O-N 3.14Å
861	G	89.1	Confident	93	Very high	67 Å²	67	46.7 Å²	46.7	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	5.8	176.6	0	0	0	0	0	116.3	K857 V858 N863	K857-G861 PolarHBondContact O-N 3.36Å; V858-G861 PolarHBondContact O-N 2.93Å; G861-N863 PolarHBondContact O-N 3.39Å
862	L	88.8	Confident	93.3	Very high	21 Å²	21	45.8 Å²	45.8	11%	0.11	27%	0.265	C	S	.	.			trans	-67.4	113.1	174.6	-172.9	71	0	0	0	110.8	C833 D836 I837 K857 V858 V864	C833-L862 HydrophobicContact CB-CD1 4.08Å; D836-L862 HydrophobicContact CB-CD1 4.08Å; D836-L862 HydrophobicContact CB-CD2 4.42Å; I837-L862 HydrophobicContact CG1-CD2 4.33Å; K857-L862 HydrophobicContact CB-CB 4.06Å; K857-L862 HydrophobicContact CB-CD2 3.72Å; K857-L862 WeakPolarHBondContact O-CB 3.49Å; K857-L862 PolarHBondContact O-N 2.88Å; V858-L862 HydrophobicContact CG2-CB 4.46Å; V858-L862 WeakPolarHBondContact CG2-O 3.43Å; L862-V864 HydrophobicContact CD2-CG1 3.89Å; L862-V864 HydrophobicContact CG-CG1 4.05Å; L862-V864 PolarHBondContact O-N 3.31Å
863	N	89.9	Confident	93.6	Very high	111 Å²	111	41.7 Å²	41.7	59%	0.594	25%	0.246	S	C	*	.			trans	-86.4	98.8	176.7	-173.9	-4.8	0	0	0	111.5	C833 G861 K865	C833-N863 PolarHBondContact SG-O 2.89Å; G861-N863 PolarHBondContact O-N 3.39Å; N863-K865 VanDerWaalsContact OD1-CB 3.32Å; N863-K865 WeakPolarHBondContact OD1-CB 3.23Å; N863-K865 PolarHBondContact OD1-N 2.96Å
864	V	93.3	Very high	93.7	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.048	24%	0.236	C	C	.	.			trans	-87.3	-5.7	177.1	-59.7	0	0	0	0	114.2	N807 I808 A811 I837 I854 V858 L862 V866 L867	N807-V864 HydrophobicContact CB-CG2 4.37Å; I808-V864 HydrophobicContact CG1-CG2 4.38Å; A811-V864 HydrophobicContact CB-CB 3.76Å; A811-V864 HydrophobicContact CB-CG1 4.38Å; A811-V864 HydrophobicContact CB-CG2 4.36Å; I837-V864 HydrophobicContact CD1-CG1 4.14Å; I854-V864 HydrophobicContact CG2-CG1 4.17Å; V858-V864 HydrophobicContact CG2-CB 4.41Å; V858-V864 HydrophobicContact CG2-CG1 3.67Å; V858-V864 HydrophobicContact CG2-CG2 3.82Å; L862-V864 HydrophobicContact CD2-CG1 3.89Å; L862-V864 HydrophobicContact CG-CG1 4.05Å; L862-V864 PolarHBondContact O-N 3.31Å; V864-V866 PolarHBondContact O-N 3.38Å; V864-L867 PolarHBondContact O-N 3.38Å; V864-L867 VanDerWaalsContact O-N 3.1Å
865	K	92.5	Very high	94	Very high	86 Å²	86	40 Å²	40	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-53.1	-52.8	-168	177.5	172.4	175.5	-175.7	0	111.8	E770 N863 L867 A868 D869	E770-K865 WeakPolarHBondContact OE1-CE 3.3Å; E770-K865 IonicContact OE1-NZ 2.68Å; E770-K865 PolarHBondContact OE1-NZ 3.16Å; N863-K865 VanDerWaalsContact OD1-CB 3.32Å; N863-K865 WeakPolarHBondContact OD1-CB 3.23Å; N863-K865 PolarHBondContact OD1-N 2.96Å; K865-L867 PolarHBondContact O-N 2.89Å; K865-A868 WeakPolarHBondContact O-CA 3.49Å; K865-A868 VanDerWaalsContact O-CB 3.3Å; K865-A868 WeakPolarHBondContact O-CB 3.47Å; K865-A868 PolarHBondContact O-N 2.79Å; K865-D869 WeakPolarHBondContact CE-OD1 3.49Å; K865-D869 WeakPolarHBondContact CE-OD2 3.45Å; K865-D869 WeakPolarHBondContact CG-OD1 3.39Å; K865-D869 IonicContact NZ-OD1 2.83Å; K865-D869 VanDerWaalsContact O-CG 3.29Å; K865-D869 PolarHBondContact O-N 3.44Å
866	V	92.9	Very high	94.1	Very high	23 Å²	23	37.4 Å²	37.4	14%	0.139	22%	0.221	C	C	.	.	H	α-helix	trans	-54.5	-30.3	-177.1	179.8	0	0	0	0	113.9	Y766 L830 V864 V870	Y766-V866 HydrophobicContact CE1-CG1 4.14Å; L830-V866 HydrophobicContact CD1-CB 3.98Å; L830-V866 HydrophobicContact CD1-CG1 4.03Å; L830-V866 HydrophobicContact CD2-CG1 3.81Å; V864-V866 PolarHBondContact O-N 3.38Å; V866-V870 WeakPolarHBondContact O-CB 3.4Å; V866-V870 VanDerWaalsContact O-CG2 3.24Å; V866-V870 WeakPolarHBondContact O-CG2 3.49Å; V866-V870 PolarHBondContact O-N 2.87Å; V866-V870 VanDerWaalsContact O-N 3.15Å
867	L	95.5	Very high	94.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-74	-34.5	176.2	-61.2	176.2	0	0	0	111.8	A811 V814 V815 I823 L830 I834 I837 V864 K865 F871	A811-L867 HydrophobicContact CB-CB 3.74Å; A811-L867 HydrophobicContact CB-CD1 4.17Å; V814-L867 HydrophobicContact CB-CB 4.48Å; V814-L867 HydrophobicContact CG1-CB 4.31Å; V814-L867 HydrophobicContact CG1-CD2 3.94Å; V814-L867 WeakPolarHBondContact CG2-O 3.45Å; V815-L867 HydrophobicContact CG2-CD1 4.35Å; I823-L867 HydrophobicContact CD1-CD2 3.8Å; L830-L867 HydrophobicContact CD1-CD2 3.87Å; L830-L867 HydrophobicContact CD1-CG 4.06Å; I834-L867 HydrophobicContact CD1-CD2 4.4Å; I834-L867 HydrophobicContact CG1-CD1 4.37Å; I834-L867 HydrophobicContact CG1-CD2 4.05Å; I837-L867 HydrophobicContact CD1-CD1 3.67Å; V864-L867 PolarHBondContact O-N 3.38Å; V864-L867 VanDerWaalsContact O-N 3.1Å; K865-L867 PolarHBondContact O-N 2.89Å; L867-F871 PolarHBondContact O-N 3.22Å
868	A	96.1	Very high	94.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-49.9	172.2	0	0	0	0	0	111.2	N807 L810 K865 V870 F871 E872	N807-A868 HydrophobicContact CB-CB 3.74Å; L810-A868 HydrophobicContact CB-CB 3.8Å; L810-A868 HydrophobicContact CD1-CB 4.23Å; K865-A868 WeakPolarHBondContact O-CA 3.49Å; K865-A868 VanDerWaalsContact O-CB 3.3Å; K865-A868 WeakPolarHBondContact O-CB 3.47Å; K865-A868 PolarHBondContact O-N 2.79Å; A868-V870 PolarHBondContact O-N 2.62Å; A868-F871 WeakPolarHBondContact O-CA 3.37Å; A868-F871 WeakPolarHBondContact O-CB 3.45Å; A868-F871 PolarHBondContact O-N 3.2Å; A868-E872 PolarHBondContact O-N 3.37Å
869	D	96.8	Very high	94.6	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.032	17%	0.169	C	C	.	.	H	α-helix	trans	-54.8	-41.1	179.2	-46.1	-10.3	0	0	0	111.5	Y766 E770 K865 E872 S873	Y766-D869 HydrophobicContact CD2-CB 3.95Å; Y766-D869 HydrophobicContact CE2-CB 3.31Å; Y766-D869 PolarHBondContact OH-OD2 3.47Å; E770-D869 HydrophobicContact CB-CB 4.46Å; E770-D869 HydrophobicContact CG-CB 3.96Å; K865-D869 WeakPolarHBondContact CE-OD1 3.49Å; K865-D869 WeakPolarHBondContact CE-OD2 3.45Å; K865-D869 WeakPolarHBondContact CG-OD1 3.39Å; K865-D869 IonicContact NZ-OD1 2.83Å; K865-D869 VanDerWaalsContact O-CG 3.29Å; K865-D869 PolarHBondContact O-N 3.44Å; D869-E872 PolarHBondContact O-N 3.43Å; D869-S873 VanDerWaalsContact O-CB 3.3Å; D869-S873 WeakPolarHBondContact O-CB 3.49Å; D869-S873 PolarHBondContact O-N 2.9Å; D869-S873 PolarHBondContact O-OG 3.48Å
870	V	96.5	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-42.2	177	164.4	0	0	0	0	111.2	M752 Y766 I823 V866 A868 S873 I874	M752-V870 HydrophobicContact CE-CG1 3.98Å; M752-V870 HydrophobicContact SD-CG1 3.78Å; Y766-V870 HydrophobicContact CD1-CG2 3.98Å; Y766-V870 HydrophobicContact CE1-CG2 4.06Å; I823-V870 HydrophobicContact CD1-CB 4.45Å; I823-V870 HydrophobicContact CD1-CG1 4.09Å; I823-V870 HydrophobicContact CD1-CG2 4.28Å; I823-V870 HydrophobicContact CG1-CG1 4.12Å; I823-V870 HydrophobicContact CG2-CG2 4.29Å; V866-V870 WeakPolarHBondContact O-CB 3.4Å; V866-V870 VanDerWaalsContact O-CG2 3.24Å; V866-V870 WeakPolarHBondContact O-CG2 3.49Å; V866-V870 PolarHBondContact O-N 2.87Å; V866-V870 VanDerWaalsContact O-N 3.15Å; A868-V870 PolarHBondContact O-N 2.62Å; V870-S873 WeakPolarHBondContact CA-OG 3.25Å; V870-S873 PolarHBondContact O-N 3.3Å; V870-S873 PolarHBondContact O-OG 2.92Å; V870-I874 HydrophobicContact CG1-CD1 4.11Å; V870-I874 WeakPolarHBondContact O-CG1 3.46Å; V870-I874 PolarHBondContact O-N 3.45Å
871	F	97.8	Very high	94.8	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.026	11%	0.113	C	C	.	.	H	α-helix	trans	-61.9	-45.4	176.2	-176.3	-93.1	0	0	0	111.9	L810 V813 V814 L867 A868 S873 I874 L875 F896 L897	L810-F871 HydrophobicContact CB-CB 4.48Å; L810-F871 HydrophobicContact CD1-CD1 4.42Å; L810-F871 HydrophobicContact CD2-CD1 3.8Å; L810-F871 HydrophobicContact CD2-CE1 3.98Å; L810-F871 HydrophobicContact CG-CD1 4.48Å; V813-F871 HydrophobicContact CG1-CD2 4.07Å; V813-F871 HydrophobicContact CG1-CE2 3.7Å; V813-F871 HydrophobicContact CG1-CZ 4.37Å; V814-F871 HydrophobicContact CG2-CB 3.79Å; V814-F871 HydrophobicContact CG2-CD2 4.17Å; V814-F871 HydrophobicContact CG2-CG 4.44Å; L867-F871 PolarHBondContact O-N 3.22Å; A868-F871 WeakPolarHBondContact O-CA 3.37Å; A868-F871 WeakPolarHBondContact O-CB 3.45Å; A868-F871 PolarHBondContact O-N 3.2Å; F871-S873 VanDerWaalsContact C-N 3.35Å; F871-I874 PolarHBondContact O-N 3.38Å; F871-L875 PolarHBondContact O-N 3.42Å; F871-F896 HydrophobicContact CE2-CB 3.82Å; F871-F896 HydrophobicContact CE2-CD1 4.42Å; F871-F896 HydrophobicContact CE2-CD2 4.36Å; F871-F896 AromaticContact CE2-CG 3.96Å; F871-F896 HydrophobicContact CE2-CG 3.96Å; F871-F896 HydrophobicContact CZ-CB 3.85Å; F871-F896 HydrophobicContact CZ-CG 4.36Å; F871-L897 HydrophobicContact CE1-CD1 4.31Å; F871-L897 HydrophobicContact CE1-CD2 4.38Å; F871-L897 HydrophobicContact CE1-CG 4.46Å; F871-L897 HydrophobicContact CZ-CD2 4.18Å; F871-L897 HydrophobicContact CZ-CG 4.28Å
872	E	98.2	Very high	95	Very high	16 Å²	16	16.5 Å²	16.5	8%	0.075	9%	0.086	C	C	.	.	H	α-helix	trans	-61.2	-45	176.1	-69.4	165.3	171	0	0	110.5	G773 L777 L810 A868 D869 I874 L875 G876	G773-E872 VanDerWaalsContact CA-O 3.3Å; G773-E872 WeakPolarHBondContact CA-O 3.5Å; L777-E872 HydrophobicContact CD2-CG 4.44Å; L810-E872 HydrophobicContact CD1-CG 3.96Å; L810-E872 VanDerWaalsContact CD1-OE1 3.3Å; L810-E872 WeakPolarHBondContact CD1-OE1 3.28Å; A868-E872 PolarHBondContact O-N 3.37Å; D869-E872 PolarHBondContact O-N 3.43Å; E872-I874 VanDerWaalsContact C-N 3.34Å; E872-I874 PolarHBondContact O-N 3.35Å; E872-L875 WeakPolarHBondContact O-CA 3.31Å; E872-L875 WeakPolarHBondContact O-CB 3.35Å; E872-L875 PolarHBondContact O-N 2.72Å; E872-G876 PolarHBondContact O-N 2.88Å
873	S	97.6	Very high	95	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-34.5	178.9	78.2	0	0	0	0	114	A751 D869 V870 F871 L875 G876 A877	A751-S873 WeakPolarHBondContact CA-OG 3.4Å; A751-S873 WeakPolarHBondContact CB-OG 3.34Å; A751-S873 PolarHBondContact O-OG 3.1Å; D869-S873 VanDerWaalsContact O-CB 3.3Å; D869-S873 WeakPolarHBondContact O-CB 3.49Å; D869-S873 PolarHBondContact O-N 2.9Å; D869-S873 PolarHBondContact O-OG 3.48Å; V870-S873 WeakPolarHBondContact CA-OG 3.25Å; V870-S873 PolarHBondContact O-N 3.3Å; V870-S873 PolarHBondContact O-OG 2.92Å; F871-S873 VanDerWaalsContact C-N 3.35Å; S873-L875 VanDerWaalsContact C-N 3.34Å; S873-G876 PolarHBondContact O-N 2.96Å; S873-A877 WeakPolarHBondContact O-CB 3.47Å; S873-A877 PolarHBondContact O-N 3.37Å
874	I	97.8	Very high	95	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-43.5	172.1	-68.4	162.5	0	0	0	109.9	L738 L748 A751 M752 I819 V870 F871 E872 A877 I878	L738-I874 HydrophobicContact CD1-CG2 3.87Å; L738-I874 HydrophobicContact CD2-CG2 3.75Å; L738-I874 HydrophobicContact CG-CG2 4.5Å; L748-I874 HydrophobicContact CD1-CG1 4.37Å; A751-I874 HydrophobicContact CB-CG1 4.24Å; M752-I874 HydrophobicContact CE-CD1 4.42Å; M752-I874 HydrophobicContact SD-CD1 3.54Å; M752-I874 VanDerWaalsContact SD-CD1 3.54Å; M752-I874 HydrophobicContact SD-CG1 3.73Å; I819-I874 HydrophobicContact CG2-CD1 3.67Å; V870-I874 HydrophobicContact CG1-CD1 4.11Å; V870-I874 WeakPolarHBondContact O-CG1 3.46Å; V870-I874 PolarHBondContact O-N 3.45Å; F871-I874 PolarHBondContact O-N 3.38Å; E872-I874 VanDerWaalsContact C-N 3.34Å; E872-I874 PolarHBondContact O-N 3.35Å; I874-A877 PolarHBondContact O-N 2.78Å; I874-I878 HydrophobicContact CG2-CD1 3.9Å; I874-I878 HydrophobicContact CG2-CG1 4.41Å; I874-I878 VanDerWaalsContact O-CG1 3.31Å; I874-I878 WeakPolarHBondContact O-CG1 3.45Å; I874-I878 PolarHBondContact O-N 2.98Å
875	L	97.7	Very high	94.9	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-42.8	176.6	-175.9	68.5	0	0	0	111.4	I776 L777 F871 E872 S873 I878 F879 A889 I892 I893	I776-L875 HydrophobicContact CB-CD2 4.31Å; I776-L875 HydrophobicContact CG2-CD2 4Å; I776-L875 HydrophobicContact CG2-CG 4.2Å; L777-L875 HydrophobicContact CB-CD2 3.76Å; F871-L875 PolarHBondContact O-N 3.42Å; E872-L875 WeakPolarHBondContact O-CA 3.31Å; E872-L875 WeakPolarHBondContact O-CB 3.35Å; E872-L875 PolarHBondContact O-N 2.72Å; S873-L875 VanDerWaalsContact C-N 3.34Å; L875-I878 PolarHBondContact O-N 2.9Å; L875-F879 WeakPolarHBondContact O-CB 3.45Å; L875-F879 PolarHBondContact O-N 2.96Å; L875-A889 HydrophobicContact CD1-CB 3.92Å; L875-I892 HydrophobicContact CD1-CB 4.48Å; L875-I892 HydrophobicContact CD1-CG2 4.37Å; L875-I893 HydrophobicContact CD1-CD1 4.26Å; L875-I893 HydrophobicContact CD1-CG1 4.1Å; L875-I893 HydrophobicContact CD2-CD1 3.91Å; L875-I893 HydrophobicContact CD2-CG1 4.14Å
876	G	96.6	Very high	94.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.7	-46.1	172.4	0	0	0	0	0	112.5	E872 S873 F879 V880	E872-G876 PolarHBondContact O-N 2.88Å; S873-G876 PolarHBondContact O-N 2.96Å; G876-F879 WeakPolarHBondContact O-CB 3.44Å; G876-F879 PolarHBondContact O-N 2.91Å; G876-V880 WeakPolarHBondContact O-CG2 3.3Å; G876-V880 PolarHBondContact O-N 3.28Å
877	A	96	Very high	94.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.7	-45.5	177.3	0	0	0	0	0	112.6	F742 L747 A751 L769 S873 I874 F879 V880 D881	F742-A877 HydrophobicContact CE1-CB 3.81Å; F742-A877 HydrophobicContact CZ-CB 4.01Å; L747-A877 HydrophobicContact CB-CB 4.27Å; A751-A877 HydrophobicContact CB-CB 4Å; L769-A877 HydrophobicContact CD1-CB 4.19Å; S873-A877 WeakPolarHBondContact O-CB 3.47Å; S873-A877 PolarHBondContact O-N 3.37Å; I874-A877 PolarHBondContact O-N 2.78Å; A877-F879 VanDerWaalsContact C-N 3.29Å; A877-F879 PolarHBondContact O-N 2.89Å; A877-V880 PolarHBondContact O-N 3.28Å; A877-D881 WeakPolarHBondContact O-CB 3.44Å; A877-D881 PolarHBondContact O-N 3.1Å
878	I	96.4	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.6	-39	175.4	-68.1	173.1	0	0	0	110.4	L738 Y740 F742 I874 L875 S882 V888 I892	L738-I878 HydrophobicContact CD1-CD1 4.47Å; Y740-I878 HydrophobicContact CD1-CD1 4.48Å; Y740-I878 HydrophobicContact CD1-CG1 3.93Å; Y740-I878 HydrophobicContact CD1-CG2 4.23Å; Y740-I878 HydrophobicContact CD2-CG2 4.2Å; Y740-I878 HydrophobicContact CE1-CG1 4.4Å; Y740-I878 HydrophobicContact CE1-CG2 4.31Å; Y740-I878 HydrophobicContact CE2-CG2 4.28Å; Y740-I878 HydrophobicContact CG-CG1 4.35Å; Y740-I878 HydrophobicContact CG-CG2 4.18Å; F742-I878 HydrophobicContact CE1-CG1 4.36Å; F742-I878 HydrophobicContact CE2-CG1 3.96Å; F742-I878 HydrophobicContact CZ-CG1 3.53Å; I874-I878 HydrophobicContact CG2-CD1 3.9Å; I874-I878 HydrophobicContact CG2-CG1 4.41Å; I874-I878 VanDerWaalsContact O-CG1 3.31Å; I874-I878 WeakPolarHBondContact O-CG1 3.45Å; I874-I878 PolarHBondContact O-N 2.98Å; L875-I878 PolarHBondContact O-N 2.9Å; I878-S882 WeakPolarHBondContact O-CB 3.3Å; I878-S882 PolarHBondContact O-N 3.49Å; I878-S882 PolarHBondContact O-OG 3.18Å; I878-V888 HydrophobicContact CG2-CG1 3.6Å; I878-I892 HydrophobicContact CD1-CD1 4.09Å; I878-I892 HydrophobicContact CD1-CG1 3.95Å; I878-I892 HydrophobicContact CD1-CG2 4.37Å; I878-I892 HydrophobicContact CG2-CG1 4.45Å
879	F	95.1	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-65.7	-40.5	177.7	-161.5	-105.9	0	0	0	112.1	F560 L564 W692 L696 I776 L875 G876 A877 S882 N883 G884 A889	F560-F879 HydrophobicContact CE2-CE1 4.35Å; F560-F879 HydrophobicContact CE2-CZ 4.08Å; F560-F879 HydrophobicContact CZ-CE1 4.47Å; F560-F879 AromaticContact CZ-CZ 3.95Å; F560-F879 HydrophobicContact CZ-CZ 3.95Å; L564-F879 HydrophobicContact CD2-CE1 4.09Å; W692-F879 HydrophobicContact CB-CE1 4.46Å; W692-F879 AromaticContact CD1-CZ 3.37Å; W692-F879 HydrophobicContact CG-CE1 4.5Å; W692-F879 HydrophobicContact CG-CZ 4.15Å; W692-F879 AromaticContact NE1-CZ 3.99Å; L696-F879 HydrophobicContact CD1-CD1 3.97Å; L696-F879 HydrophobicContact CD1-CE1 4.11Å; I776-F879 HydrophobicContact CD1-CB 3.53Å; I776-F879 HydrophobicContact CD1-CD1 3.5Å; I776-F879 VanDerWaalsContact CD1-CD1 3.5Å; I776-F879 HydrophobicContact CD1-CD2 4Å; I776-F879 HydrophobicContact CD1-CE1 4.1Å; I776-F879 HydrophobicContact CD1-CG 3.41Å; I776-F879 VanDerWaalsContact CD1-CG 3.41Å; I776-F879 HydrophobicContact CG1-CD1 4.22Å; I776-F879 HydrophobicContact CG1-CD2 4.45Å; I776-F879 HydrophobicContact CG1-CE1 4.34Å; I776-F879 HydrophobicContact CG1-CG 4.25Å; I776-F879 HydrophobicContact CG1-CZ 4.47Å; I776-F879 HydrophobicContact CG2-CD2 4.34Å; L875-F879 WeakPolarHBondContact O-CB 3.45Å; L875-F879 PolarHBondContact O-N 2.96Å; G876-F879 WeakPolarHBondContact O-CB 3.44Å; G876-F879 PolarHBondContact O-N 2.91Å; A877-F879 VanDerWaalsContact C-N 3.29Å; A877-F879 PolarHBondContact O-N 2.89Å; F879-S882 PolarHBondContact O-OG 3.27Å; F879-N883 PolarHBondContact O-N 3.06Å; F879-G884 WeakPolarHBondContact O-CA 3.4Å; F879-G884 PolarHBondContact O-N 2.97Å; F879-A889 HydrophobicContact CD2-CB 3.96Å; F879-A889 HydrophobicContact CE2-CB 4.49Å
880	V	93.7	Very high	94.4	Very high	28 Å²	28	19.4 Å²	19.4	17%	0.17	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-51.9	173.3	175.3	0	0	0	0	111.2	Y567 L696 L747 L769 L772 G876 A877 S882 N883	Y567-V880 HydrophobicContact CE1-CG2 4.35Å; L696-V880 HydrophobicContact CD2-CG2 4.36Å; L747-V880 HydrophobicContact CD1-CB 4.39Å; L747-V880 HydrophobicContact CD1-CG1 3.92Å; L747-V880 HydrophobicContact CD2-CG1 4.15Å; L769-V880 HydrophobicContact CD2-CG2 4.32Å; L772-V880 HydrophobicContact CD2-CG2 3.72Å; G876-V880 WeakPolarHBondContact O-CG2 3.3Å; G876-V880 PolarHBondContact O-N 3.28Å; A877-V880 PolarHBondContact O-N 3.28Å; V880-S882 VanDerWaalsContact C-N 3.31Å; V880-S882 PolarHBondContact O-N 3.39Å; V880-N883 WeakPolarHBondContact O-CA 3.25Å; V880-N883 PolarHBondContact O-N 3.44Å
881	D	93.1	Very high	94.4	Very high	18 Å²	18	22.8 Å²	22.8	10%	0.096	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-35.5	-177.8	-172.3	92.8	0	0	0	112.3	Y740 F742 K743 G744 L747 A877 N883	Y740-D881 HydrophobicContact CE1-CB 4.24Å; Y740-D881 PolarHBondContact OH-OD2 3.15Å; F742-D881 HydrophobicContact CD1-CB 3.82Å; F742-D881 HydrophobicContact CE1-CB 4.11Å; K743-D881 WeakPolarHBondContact CA-OD1 3.47Å; K743-D881 WeakPolarHBondContact CB-OD1 3.36Å; K743-D881 PolarHBondContact N-OD1 3.42Å; K743-D881 PolarHBondContact N-OD2 3.4Å; K743-D881 PolarHBondContact NZ-O 3.44Å; K743-D881 IonicContact NZ-OD2 3.54Å; K743-D881 PolarHBondContact NZ-OD2 3.19Å; G744-D881 PolarHBondContact N-OD1 3.44Å; L747-D881 HydrophobicContact CD1-CB 3.88Å; A877-D881 WeakPolarHBondContact O-CB 3.44Å; A877-D881 PolarHBondContact O-N 3.1Å; D881-N883 PolarHBondContact O-N 3.1Å
882	S	92.1	Very high	94.3	Very high	18 Å²	18	22.9 Å²	22.9	13%	0.126	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	3.1	173.3	68.3	0	0	0	0	114.2	Y740 I878 F879 V880 G884 N885	Y740-S882 PolarHBondContact OH-N 2.86Å; I878-S882 WeakPolarHBondContact O-CB 3.3Å; I878-S882 PolarHBondContact O-N 3.49Å; I878-S882 PolarHBondContact O-OG 3.18Å; F879-S882 PolarHBondContact O-OG 3.27Å; V880-S882 VanDerWaalsContact C-N 3.31Å; V880-S882 PolarHBondContact O-N 3.39Å; S882-G884 VanDerWaalsContact C-N 3.25Å; S882-G884 PolarHBondContact O-N 3.03Å; S882-N885 PolarHBondContact O-N 2.79Å; S882-N885 PolarHBondContact OG-N 3.4Å
883	N	88.9	Confident	94.3	Very high	52 Å²	52	22.1 Å²	22.1	28%	0.278	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	31.2	180	-168.2	54.5	0	0	0	113.3	A690 H693 F879 V880 D881	A690-N883 WeakPolarHBondContact CB-O 3.4Å; H693-N883 WeakPolarHBondContact CB-ND2 3.43Å; H693-N883 WeakPolarHBondContact CB-O 3.23Å; H693-N883 WeakPolarHBondContact CB-OD1 3.32Å; F879-N883 PolarHBondContact O-N 3.06Å; V880-N883 WeakPolarHBondContact O-CA 3.25Å; V880-N883 PolarHBondContact O-N 3.44Å; D881-N883 PolarHBondContact O-N 3.1Å
884	G	90	Very high	94.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	88.2	25.6	179.9	0	0	0	0	0	114.7	A690 W692 F879 S882 H886	A690-G884 WeakPolarHBondContact CA-O 3.27Å; W692-G884 VanDerWaalsContact CD1-O 3.22Å; F879-G884 WeakPolarHBondContact O-CA 3.4Å; F879-G884 PolarHBondContact O-N 2.97Å; S882-G884 VanDerWaalsContact C-N 3.25Å; S882-G884 PolarHBondContact O-N 3.03Å; G884-H886 PolarHBondContact O-N 3.36Å; G884-H886 VanDerWaalsContact O-N 3.16Å
885	N	90.8	Very high	94	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.139	16%	0.162	C	C	.	.			trans	-72.9	110.4	178.9	-170.1	-47.9	0	0	0	110.9	E689 A690 S882 Q887 V888 A889	E689-N885 PolarHBondContact OE2-ND2 2.94Å; A690-N885 HydrophobicContact CB-CB 4.41Å; S882-N885 PolarHBondContact O-N 2.79Å; S882-N885 PolarHBondContact OG-N 3.4Å; N885-Q887 VanDerWaalsContact C-N 3.34Å; N885-Q887 PolarHBondContact O-N 3.17Å; N885-Q887 WeakPolarHBondContact OD1-CA 3.25Å; N885-Q887 WeakPolarHBondContact OD1-CB 3.42Å; N885-Q887 PolarHBondContact OD1-N 3.26Å; N885-V888 HydrophobicContact CB-CB 4.27Å; N885-V888 HydrophobicContact CB-CG2 3.87Å; N885-V888 PolarHBondContact O-N 2.68Å; N885-V888 PolarHBondContact OD1-N 3.11Å; N885-A889 PolarHBondContact O-N 2.87Å
886	H	89.1	Confident	93.9	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.218	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-31.2	-177.2	-173.2	94.4	0	0	0	113.1	E689 I780 G884 S890	E689-H886 PolarHBondContact O-N 3.23Å; I780-H886 WeakPolarHBondContact CG1-CE1 3.47Å; G884-H886 PolarHBondContact O-N 3.36Å; G884-H886 VanDerWaalsContact O-N 3.16Å; H886-S890 VanDerWaalsContact O-CB 3.28Å; H886-S890 WeakPolarHBondContact O-CB 3.44Å; H886-S890 PolarHBondContact O-N 3.29Å
887	Q	92.2	Very high	93.9	Very high	126 Å²	126	31.9 Å²	31.9	59%	0.589	16%	0.163	S	C	*	.	H	α-helix	trans	-70.6	-34.4	178.1	-62.2	-170.2	-6.1	0	0	112.1	N885 S891	N885-Q887 VanDerWaalsContact C-N 3.34Å; N885-Q887 PolarHBondContact O-N 3.17Å; N885-Q887 WeakPolarHBondContact OD1-CA 3.25Å; N885-Q887 WeakPolarHBondContact OD1-CB 3.42Å; N885-Q887 PolarHBondContact OD1-N 3.26Å; Q887-S891 WeakPolarHBondContact O-CB 3.17Å; Q887-S891 PolarHBondContact O-N 3.37Å; Q887-S891 PolarHBondContact O-OG 2.82Å
888	V	94.9	Very high	93.7	Very high	37 Å²	37	32.4 Å²	32.4	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-52.2	174.9	177.9	0	0	0	0	109.9	Y740 I878 N885 S890 S891 I892	Y740-V888 HydrophobicContact CD2-CG1 3.72Å; Y740-V888 HydrophobicContact CE2-CG1 3.7Å; I878-V888 HydrophobicContact CG2-CG1 3.6Å; N885-V888 HydrophobicContact CB-CB 4.27Å; N885-V888 HydrophobicContact CB-CG2 3.87Å; N885-V888 PolarHBondContact O-N 2.68Å; N885-V888 PolarHBondContact OD1-N 3.11Å; V888-S890 PolarHBondContact O-N 2.95Å; V888-S891 WeakPolarHBondContact O-CB 3.29Å; V888-S891 PolarHBondContact O-N 2.63Å; V888-S891 VanDerWaalsContact O-N 3.15Å; V888-I892 WeakPolarHBondContact O-CG1 3.28Å; V888-I892 PolarHBondContact O-N 3.25Å; V888-I892 VanDerWaalsContact O-N 3.1Å
889	A	94.4	Very high	93.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-43.8	176.8	0	0	0	0	0	112.7	I776 I780 L875 F879 N885 S891 I892 I893	I776-A889 HydrophobicContact CG2-CB 4.09Å; I780-A889 HydrophobicContact CD1-CB 3.8Å; L875-A889 HydrophobicContact CD1-CB 3.92Å; F879-A889 HydrophobicContact CD2-CB 3.96Å; F879-A889 HydrophobicContact CE2-CB 4.49Å; N885-A889 PolarHBondContact O-N 2.87Å; A889-S891 VanDerWaalsContact C-N 3.34Å; A889-S891 PolarHBondContact O-N 3.38Å; A889-I892 PolarHBondContact O-N 3.23Å; A889-I893 WeakPolarHBondContact O-CG1 3.4Å; A889-I893 PolarHBondContact O-N 2.56Å
890	S	94.6	Very high	93.2	Very high	28 Å²	28	38.9 Å²	38.9	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-41.1	174.9	176.7	0	0	0	0	112.3	H886 V888 I892 I893 H894	H886-S890 VanDerWaalsContact O-CB 3.28Å; H886-S890 WeakPolarHBondContact O-CB 3.44Å; H886-S890 PolarHBondContact O-N 3.29Å; V888-S890 PolarHBondContact O-N 2.95Å; S890-I892 PolarHBondContact O-N 2.8Å; S890-I893 PolarHBondContact O-N 2.92Å; S890-H894 PolarHBondContact O-CD2 2.72Å; S890-H894 PolarHBondContact O-N 3.03Å; S890-H894 PolarHBondContact OG-CD2 3.08Å
891	S	95.9	Very high	93.2	Very high	72 Å²	72	37.7 Å²	37.7	50%	0.503	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-38.8	177.6	-59.7	0	0	0	0	112.6	Q887 V888 A889 R895	Q887-S891 WeakPolarHBondContact O-CB 3.17Å; Q887-S891 PolarHBondContact O-N 3.37Å; Q887-S891 PolarHBondContact O-OG 2.82Å; V888-S891 WeakPolarHBondContact O-CB 3.29Å; V888-S891 PolarHBondContact O-N 2.63Å; V888-S891 VanDerWaalsContact O-N 3.15Å; A889-S891 VanDerWaalsContact C-N 3.34Å; A889-S891 PolarHBondContact O-N 3.38Å; S891-R895 WeakPolarHBondContact O-CB 3.45Å; S891-R895 PolarHBondContact O-N 3.32Å
892	I	96.3	Very high	93.1	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-49.5	173.7	-61.9	-63.3	0	0	0	110	L738 L875 I878 V888 A889 S890 H894 R895 F896	L738-I892 WeakPolarHBondContact O-CD1 3.23Å; L875-I892 HydrophobicContact CD1-CB 4.48Å; L875-I892 HydrophobicContact CD1-CG2 4.37Å; I878-I892 HydrophobicContact CD1-CD1 4.09Å; I878-I892 HydrophobicContact CD1-CG1 3.95Å; I878-I892 HydrophobicContact CD1-CG2 4.37Å; I878-I892 HydrophobicContact CG2-CG1 4.45Å; V888-I892 WeakPolarHBondContact O-CG1 3.28Å; V888-I892 PolarHBondContact O-N 3.25Å; V888-I892 VanDerWaalsContact O-N 3.1Å; A889-I892 PolarHBondContact O-N 3.23Å; S890-I892 PolarHBondContact O-N 2.8Å; I892-H894 VanDerWaalsContact C-N 3.34Å; I892-H894 PolarHBondContact O-N 2.69Å; I892-R895 WeakPolarHBondContact O-CB 3.49Å; I892-R895 PolarHBondContact O-N 3.03Å; I892-R895 VanDerWaalsContact O-N 3.1Å; I892-F896 HydrophobicContact CG2-CD2 3.79Å; I892-F896 HydrophobicContact CG2-CE2 4.04Å; I892-F896 VanDerWaalsContact O-CD2 3.3Å; I892-F896 WeakPolarHBondContact O-CD2 3.4Å; I892-F896 PolarHBondContact O-N 2.84Å
893	I	96.7	Very high	93	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.2	-46.9	177.4	-72.8	166.1	0	0	0	111.3	L777 I780 I781 L875 A889 S890 R895 F896 L897 M901	L777-I893 HydrophobicContact CD1-CD1 3.91Å; L777-I893 HydrophobicContact CD1-CG1 3.96Å; L777-I893 HydrophobicContact CD1-CG2 4.41Å; I780-I893 HydrophobicContact CB-CD1 3.75Å; I780-I893 HydrophobicContact CD1-CD1 3.59Å; I780-I893 HydrophobicContact CG1-CD1 4.23Å; I780-I893 HydrophobicContact CG2-CD1 3.65Å; I780-I893 HydrophobicContact CG2-CG2 4.37Å; I781-I893 HydrophobicContact CD1-CG2 3.65Å; I781-I893 HydrophobicContact CG1-CG2 4.49Å; L875-I893 HydrophobicContact CD1-CD1 4.26Å; L875-I893 HydrophobicContact CD1-CG1 4.1Å; L875-I893 HydrophobicContact CD2-CD1 3.91Å; L875-I893 HydrophobicContact CD2-CG1 4.14Å; A889-I893 WeakPolarHBondContact O-CG1 3.4Å; A889-I893 PolarHBondContact O-N 2.56Å; S890-I893 PolarHBondContact O-N 2.92Å; I893-R895 PolarHBondContact O-N 3.48Å; I893-F896 PolarHBondContact O-N 2.74Å; I893-L897 HydrophobicContact CG2-CD1 4.35Å; I893-L897 WeakPolarHBondContact O-CA 3.12Å; I893-L897 WeakPolarHBondContact O-CB 3.46Å; I893-L897 PolarHBondContact O-N 2.84Å; I893-M901 HydrophobicContact CG2-CE 4.35Å; I893-M901 HydrophobicContact CG2-SD 3.85Å
894	H	95.2	Very high	93	Very high	68 Å²	68	41 Å²	41	32%	0.315	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-36.1	176.9	-78.7	-61.3	0	0	0	113.3	Y784 S890 I892 G898 M901	Y784-H894 AromaticContact CD2-CE1 3.91Å; Y784-H894 AromaticContact CE2-CE1 3.54Å; Y784-H894 AromaticContact CE2-NE2 3.96Å; Y784-H894 AromaticContact CZ-CE1 3.6Å; S890-H894 PolarHBondContact O-CD2 2.72Å; S890-H894 PolarHBondContact O-N 3.03Å; S890-H894 PolarHBondContact OG-CD2 3.08Å; I892-H894 VanDerWaalsContact C-N 3.34Å; I892-H894 PolarHBondContact O-N 2.69Å; H894-G898 VanDerWaalsContact O-CA 3.3Å; H894-G898 WeakPolarHBondContact O-CA 3.26Å; H894-G898 PolarHBondContact O-N 3.17Å; H894-G898 VanDerWaalsContact O-N 3.17Å; H894-M901 VanDerWaalsContact CE1-CE 3.43Å; H894-M901 WeakPolarHBondContact CE1-CE 3.46Å
895	R	94.9	Very high	93	Very high	135 Å²	135	41.9 Å²	41.9	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-64	-41.4	176.8	171.6	172.5	-74.8	145.8	-0.2	112.7	L738 S891 I892 I893	L738-R895 PolarHBondContact O-NH1 2.91Å; S891-R895 WeakPolarHBondContact O-CB 3.45Å; S891-R895 PolarHBondContact O-N 3.32Å; I892-R895 WeakPolarHBondContact O-CB 3.49Å; I892-R895 PolarHBondContact O-N 3.03Å; I892-R895 VanDerWaalsContact O-N 3.1Å; I893-R895 PolarHBondContact O-N 3.48Å
896	F	95.6	Very high	92.9	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-97.1	-38.5	-173	-73.1	-76.4	0	0	0	113.9	K737 L738 V813 H817 I819 F871 I892 I893	K737-F896 WeakPolarHBondContact O-CZ 3.44Å; L738-F896 HydrophobicContact CD2-CE2 3.89Å; L738-F896 HydrophobicContact CD2-CZ 3.9Å; V813-F896 HydrophobicContact CG1-CB 3.85Å; V813-F896 HydrophobicContact CG1-CD1 4.02Å; V813-F896 HydrophobicContact CG1-CG 4.34Å; H817-F896 HydrophobicContact CB-CD1 4.17Å; H817-F896 HydrophobicContact CB-CE1 3.72Å; H817-F896 AromaticContact CD2-CD1 3.59Å; H817-F896 AromaticContact CE1-CD1 3.77Å; H817-F896 AromaticContact CG-CD1 3.57Å; H817-F896 AromaticContact CG-CE1 3.48Å; H817-F896 VanDerWaalsContact CG-CE1 3.48Å; H817-F896 AromaticContact ND1-CD1 3.69Å; H817-F896 AromaticContact ND1-CE1 3.51Å; H817-F896 AromaticContact NE2-CD1 3.73Å; I819-F896 HydrophobicContact CD1-CE1 4.07Å; I819-F896 HydrophobicContact CD1-CZ 4.48Å; F871-F896 HydrophobicContact CE2-CB 3.82Å; F871-F896 HydrophobicContact CE2-CD1 4.42Å; F871-F896 HydrophobicContact CE2-CD2 4.36Å; F871-F896 AromaticContact CE2-CG 3.96Å; F871-F896 HydrophobicContact CE2-CG 3.96Å; F871-F896 HydrophobicContact CZ-CB 3.85Å; F871-F896 HydrophobicContact CZ-CG 4.36Å; I892-F896 HydrophobicContact CG2-CD2 3.79Å; I892-F896 HydrophobicContact CG2-CE2 4.04Å; I892-F896 VanDerWaalsContact O-CD2 3.3Å; I892-F896 WeakPolarHBondContact O-CD2 3.4Å; I892-F896 PolarHBondContact O-N 2.84Å; I893-F896 PolarHBondContact O-N 2.74Å
897	L	95.5	Very high	92.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-103.9	-3.4	-175.7	-51.6	-173	0	0	0	113.6	L777 V804 L810 V813 F871 I893 K899 T900 M901	L777-L897 HydrophobicContact CD1-CD1 3.57Å; V804-L897 HydrophobicContact CG1-CB 4.37Å; V804-L897 HydrophobicContact CG1-CD1 4.05Å; L810-L897 HydrophobicContact CD2-CD1 4.05Å; L810-L897 HydrophobicContact CD2-CD2 3.91Å; V813-L897 HydrophobicContact CB-CD2 4.4Å; V813-L897 HydrophobicContact CG1-CD2 4.24Å; V813-L897 HydrophobicContact CG2-CD2 3.74Å; F871-L897 HydrophobicContact CE1-CD1 4.31Å; F871-L897 HydrophobicContact CE1-CD2 4.38Å; F871-L897 HydrophobicContact CE1-CG 4.46Å; F871-L897 HydrophobicContact CZ-CD2 4.18Å; F871-L897 HydrophobicContact CZ-CG 4.28Å; I893-L897 HydrophobicContact CG2-CD1 4.35Å; I893-L897 WeakPolarHBondContact O-CA 3.12Å; I893-L897 WeakPolarHBondContact O-CB 3.46Å; I893-L897 PolarHBondContact O-N 2.84Å; L897-K899 PolarHBondContact O-N 3.23Å; L897-K899 VanDerWaalsContact O-N 3.12Å; L897-T900 PolarHBondContact O-N 2.77Å; L897-M901 HydrophobicContact CB-CG 4.25Å; L897-M901 HydrophobicContact CB-SD 3.98Å; L897-M901 VanDerWaalsContact O-CG 3.32Å; L897-M901 WeakPolarHBondContact O-CG 3.03Å; L897-M901 PolarHBondContact O-N 3.46Å
898	G	92.6	Very high	92.1	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	22%	0.223	C	C	.	.	H	α-helix	trans	-55	-33.8	-175.1	0	0	0	0	0	114.7	H894 N902	H894-G898 VanDerWaalsContact O-CA 3.3Å; H894-G898 WeakPolarHBondContact O-CA 3.26Å; H894-G898 PolarHBondContact O-N 3.17Å; H894-G898 VanDerWaalsContact O-N 3.17Å; G898-N902 VanDerWaalsContact O-CB 3.29Å; G898-N902 WeakPolarHBondContact O-CB 3.44Å; G898-N902 PolarHBondContact O-N 3.31Å; G898-N902 PolarHBondContact O-ND2 2.83Å
899	K	89	Confident	91.3	Very high	125 Å²	125	45.2 Å²	45.2	54%	0.543	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-52	174	-64.5	-179.1	-173.8	175.6	0	111.5	E816 L897 S903	E816-K899 IonicContact OE1-NZ 2.8Å; E816-K899 PolarHBondContact OE1-NZ 2.87Å; L897-K899 PolarHBondContact O-N 3.23Å; L897-K899 VanDerWaalsContact O-N 3.12Å; K899-S903 WeakPolarHBondContact O-CB 3.39Å; K899-S903 PolarHBondContact O-N 3.39Å; K899-S903 VanDerWaalsContact O-N 3.07Å
900	T	91.5	Very high	90	Very high	10 Å²	10	50 Å²	50	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-45.1	179.7	-36.2	0	0	0	0	110.8	V804 N809 H847 L897 N902 S903 V904	V804-T900 HydrophobicContact CG2-CG2 4.31Å; N809-T900 PolarHBondContact ND2-OG1 2.96Å; N809-T900 PolarHBondContact OD1-OG1 3.18Å; H847-T900 PolarHBondContact CE1-OG1 3.16Å; H847-T900 PolarHBondContact NE2-OG1 3.06Å; L897-T900 PolarHBondContact O-N 2.77Å; T900-N902 PolarHBondContact O-N 3.48Å; T900-S903 PolarHBondContact O-N 3.1Å; T900-V904 WeakPolarHBondContact O-CB 3.47Å; T900-V904 WeakPolarHBondContact O-CG2 3.39Å; T900-V904 PolarHBondContact O-N 2.6Å
901	M	93.3	Very high	87.9	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.02	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-48.6	178	-67.3	167.7	70.9	0	0	111.7	I781 Y784 V804 I893 H894 L897 S903 V904 I905	I781-M901 HydrophobicContact CD1-CE 3.6Å; I781-M901 HydrophobicContact CD1-CG 3.97Å; I781-M901 HydrophobicContact CD1-SD 3.62Å; Y784-M901 HydrophobicContact CD1-CE 3.33Å; Y784-M901 HydrophobicContact CE1-CE 3.54Å; Y784-M901 HydrophobicContact CG-CE 3.96Å; V804-M901 HydrophobicContact CG1-CG 3.89Å; V804-M901 HydrophobicContact CG2-CG 4.32Å; I893-M901 HydrophobicContact CG2-CE 4.35Å; I893-M901 HydrophobicContact CG2-SD 3.85Å; H894-M901 VanDerWaalsContact CE1-CE 3.43Å; H894-M901 WeakPolarHBondContact CE1-CE 3.46Å; L897-M901 HydrophobicContact CB-CG 4.25Å; L897-M901 HydrophobicContact CB-SD 3.98Å; L897-M901 VanDerWaalsContact O-CG 3.32Å; L897-M901 WeakPolarHBondContact O-CG 3.03Å; L897-M901 PolarHBondContact O-N 3.46Å; M901-S903 PolarHBondContact O-N 3.4Å; M901-V904 PolarHBondContact O-N 2.88Å; M901-I905 WeakPolarHBondContact O-CB 3.45Å; M901-I905 WeakPolarHBondContact O-CG1 3.48Å; M901-I905 PolarHBondContact O-N 2.9Å
902	N	91.7	Very high	85	Confident	90 Å²	90	55.7 Å²	55.7	48%	0.481	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-40.5	178.9	-71.9	-14	0	0	0	111.9	G898 T900 I905 T906	G898-N902 VanDerWaalsContact O-CB 3.29Å; G898-N902 WeakPolarHBondContact O-CB 3.44Å; G898-N902 PolarHBondContact O-N 3.31Å; G898-N902 PolarHBondContact O-ND2 2.83Å; T900-N902 PolarHBondContact O-N 3.48Å; N902-I905 PolarHBondContact O-N 3.08Å; N902-T906 WeakPolarHBondContact O-CB 3.48Å; N902-T906 PolarHBondContact O-N 3.33Å; N902-T906 PolarHBondContact O-OG1 2.83Å
903	S	89.3	Confident	81.9	Confident	55 Å²	55	62.6 Å²	62.6	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-46.2	176.5	177.6	0	0	0	0	111.9	K899 T900 M901 T906 N907	K899-S903 WeakPolarHBondContact O-CB 3.39Å; K899-S903 PolarHBondContact O-N 3.39Å; K899-S903 VanDerWaalsContact O-N 3.07Å; T900-S903 PolarHBondContact O-N 3.1Å; M901-S903 PolarHBondContact O-N 3.4Å; S903-T906 PolarHBondContact O-N 2.83Å; S903-N907 VanDerWaalsContact O-CG 3.23Å; S903-N907 PolarHBondContact O-N 3.42Å; S903-N907 PolarHBondContact O-ND2 2.94Å
904	V	90.6	Very high	78.5	Confident	13 Å²	13	66.6 Å²	66.6	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-64.2	-43.7	177.8	170.5	0	0	0	0	111.3	A800 T803 V804 T900 M901 T906 N907 L908	A800-V904 HydrophobicContact CB-CG1 3.25Å; T803-V904 HydrophobicContact CG2-CG2 3.91Å; V804-V904 HydrophobicContact CG2-CB 4.38Å; V804-V904 HydrophobicContact CG2-CG2 4.08Å; T900-V904 WeakPolarHBondContact O-CB 3.47Å; T900-V904 WeakPolarHBondContact O-CG2 3.39Å; T900-V904 PolarHBondContact O-N 2.6Å; M901-V904 PolarHBondContact O-N 2.88Å; V904-T906 VanDerWaalsContact C-N 3.35Å; V904-T906 PolarHBondContact O-N 3.35Å; V904-N907 PolarHBondContact O-N 3.39Å; V904-L908 HydrophobicContact CG1-CD1 4.42Å; V904-L908 WeakPolarHBondContact O-CG 3.48Å; V904-L908 PolarHBondContact O-N 3.02Å
905	I	89.2	Confident	75.3	Confident	17 Å²	17	68.3 Å²	68.3	9%	0.087	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-41.5	175.1	-72.6	172	0	0	0	111.2	Y784 L785 K788 M901 N902 N907 L908 L909	Y784-I905 HydrophobicContact CD1-CD1 3.9Å; Y784-I905 HydrophobicContact CE1-CD1 3.32Å; L785-I905 HydrophobicContact CD2-CD1 4.35Å; L785-I905 HydrophobicContact CD2-CG1 3.9Å; K788-I905 HydrophobicContact CB-CD1 4.2Å; M901-I905 WeakPolarHBondContact O-CB 3.45Å; M901-I905 WeakPolarHBondContact O-CG1 3.48Å; M901-I905 PolarHBondContact O-N 2.9Å; N902-I905 PolarHBondContact O-N 3.08Å; I905-N907 VanDerWaalsContact C-N 3.33Å; I905-N907 PolarHBondContact O-N 3.49Å; I905-L908 PolarHBondContact O-N 2.98Å; I905-L909 HydrophobicContact CG2-CD1 3.68Å; I905-L909 HydrophobicContact CG2-CG 4.2Å; I905-L909 WeakPolarHBondContact O-CB 3.47Å; I905-L909 VanDerWaalsContact O-CG 3.28Å; I905-L909 WeakPolarHBondContact O-CG 3.29Å; I905-L909 PolarHBondContact O-N 3.03Å
906	T	88.4	Confident	72.2	Confident	75 Å²	75	67.6 Å²	67.6	46%	0.46	39%	0.387	S	S	.	.	H	α-helix	trans	-59.5	-46.6	175.1	-57.4	0	0	0	0	110.2	N902 S903 V904 L908 L909 V910	N902-T906 WeakPolarHBondContact O-CB 3.48Å; N902-T906 PolarHBondContact O-N 3.33Å; N902-T906 PolarHBondContact O-OG1 2.83Å; S903-T906 PolarHBondContact O-N 2.83Å; V904-T906 VanDerWaalsContact C-N 3.35Å; V904-T906 PolarHBondContact O-N 3.35Å; T906-L908 VanDerWaalsContact C-N 3.33Å; T906-L908 PolarHBondContact O-N 3.31Å; T906-L909 PolarHBondContact O-N 2.88Å; T906-V910 HydrophobicContact CG2-CG2 3.92Å; T906-V910 WeakPolarHBondContact O-CB 3.41Å; T906-V910 WeakPolarHBondContact O-CG2 3.5Å; T906-V910 PolarHBondContact O-N 3.15Å
907	N	84.4	Confident	68.9	Low	100 Å²	100	76 Å²	76	54%	0.535	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-34.9	177.7	-66.8	-17.2	0	0	0	113	S903 V904 I905 Q911	S903-N907 VanDerWaalsContact O-CG 3.23Å; S903-N907 PolarHBondContact O-N 3.42Å; S903-N907 PolarHBondContact O-ND2 2.94Å; V904-N907 PolarHBondContact O-N 3.39Å; I905-N907 VanDerWaalsContact C-N 3.33Å; I905-N907 PolarHBondContact O-N 3.49Å; N907-Q911 VanDerWaalsContact O-CG 3.31Å; N907-Q911 WeakPolarHBondContact O-CG 3.34Å; N907-Q911 PolarHBondContact O-N 3.27Å
908	L	80.8	Confident	65.7	Low	18 Å²	18	80.7 Å²	80.7	9%	0.094	45%	0.451	C	S	.	.	H	α-helix	trans	-69.2	-37.8	174.2	-72.8	177.3	0	0	0	112.9	L785 C789 A796 L797 A800 V904 I905 T906	L785-L908 HydrophobicContact CD2-CD1 4.3Å; C789-L908 HydrophobicContact CB-CD1 4.19Å; A796-L908 HydrophobicContact CB-CD2 3.67Å; L797-L908 HydrophobicContact CD2-CD1 4.48Å; A800-L908 HydrophobicContact CB-CD1 3.79Å; A800-L908 HydrophobicContact CB-CG 4.41Å; V904-L908 HydrophobicContact CG1-CD1 4.42Å; V904-L908 WeakPolarHBondContact O-CG 3.48Å; V904-L908 PolarHBondContact O-N 3.02Å; I905-L908 PolarHBondContact O-N 2.98Å; T906-L908 VanDerWaalsContact C-N 3.33Å; T906-L908 PolarHBondContact O-N 3.31Å
909	L	78.4	Confident	62.4	Low	113 Å²	113	87.9 Å²	87.9	59%	0.592	49%	0.486	S	S	*	.	H	α-helix	trans	-82.6	-25.6	-179.3	-65.8	175.8	0	0	0	113.2	I905 T906	I905-L909 HydrophobicContact CG2-CD1 3.68Å; I905-L909 HydrophobicContact CG2-CG 4.2Å; I905-L909 WeakPolarHBondContact O-CB 3.47Å; I905-L909 VanDerWaalsContact O-CG 3.28Å; I905-L909 WeakPolarHBondContact O-CG 3.29Å; I905-L909 PolarHBondContact O-N 3.03Å; T906-L909 PolarHBondContact O-N 2.88Å
910	V	66.6	Low	59.6	Low	101 Å²	101	88.8 Å²	88.8	61%	0.612	50%	0.496	S	S	*	.	S	Bend	trans	-93	5	-178	176.5	0	0	0	0	112.1	T906 P912	T906-V910 HydrophobicContact CG2-CG2 3.92Å; T906-V910 WeakPolarHBondContact O-CB 3.41Å; T906-V910 WeakPolarHBondContact O-CG2 3.5Å; T906-V910 PolarHBondContact O-N 3.15Å; V910-P912 VanDerWaalsContact O-CD 3.25Å; V910-P912 WeakPolarHBondContact O-CD 3.44Å
911	Q	49.8	Very low	56.3	Low	122 Å²	122	98.6 Å²	98.6	57%	0.57	53%	0.532	S	S	*	.			trans	-52	115.5	179.5	-73.9	-152.6	-2.3	0	0	111.3	N907	N907-Q911 VanDerWaalsContact O-CG 3.31Å; N907-Q911 WeakPolarHBondContact O-CG 3.34Å; N907-Q911 PolarHBondContact O-N 3.27Å
912	P	35.8	Very low	53.1	Low	98 Å²	98	109.2 Å²	109.2	64%	0.636	57%	0.573	S	S	*	*			trans	-69	148.6	176.2	28.2	-32	0	0	0	109.3	V910 S914	V910-P912 VanDerWaalsContact O-CD 3.25Å; V910-P912 WeakPolarHBondContact O-CD 3.44Å; P912-S914 PolarHBondContact O-N 3.2Å; P912-S914 PolarHBondContact O-OG 3.04Å
913	V	30.4	Very low	49.8	Very low	152 Å²	152	112 Å²	112	92%	0.921	59%	0.588	S	S	*	*	S	Bend	trans	-67.9	83.4	172.7	-177.6	0	0	0	0	108.9
914	S	26.5	Very low	46.9	Very low	83 Å²	83	117.1 Å²	117.1	58%	0.58	61%	0.611	S	S	*	*			trans	-154.2	99.4	180	53.7	0	0	0	0	111.2	P912	P912-S914 PolarHBondContact O-N 3.2Å; P912-S914 PolarHBondContact O-OG 3.04Å
915	L	27.4	Very low	43.7	Very low	104 Å²	104	121.2 Å²	121.2	55%	0.545	64%	0.64	S	S	.	*			trans	-46.9	155.5	173.7	-66.6	152.9	0	0	0	114.5	E489 Y917	E489-L915 WeakPolarHBondContact OE1-CD2 3.38Å; L915-Y917 HydrophobicContact CD1-CD2 4.2Å; L915-Y917 HydrophobicContact CD1-CE2 4.39Å; L915-Y917 HydrophobicContact CD2-CD2 3.84Å; L915-Y917 HydrophobicContact CD2-CE2 3.79Å; L915-Y917 HydrophobicContact CG-CD2 4.44Å
916	P	29.1	Very low	40.6	Very low	120 Å²	120	126.8 Å²	126.8	78%	0.779	68%	0.675	S	S	*	*			trans	-123.7	95.3	135.7	34.3	-23.5	0	0	0	110.9	P918	P916-P918 WeakPolarHBondContact O-CD 3.27Å
917	Y	27.5	Very low	37.6	Very low	183 Å²	183	128.1 Å²	128.1	72%	0.718	69%	0.694	S	S	*	*			trans	-68.1	129.3	156.7	-93.9	-85.8	0	0	0	108.6	L915 D919	L915-Y917 HydrophobicContact CD1-CD2 4.2Å; L915-Y917 HydrophobicContact CD1-CE2 4.39Å; L915-Y917 HydrophobicContact CD2-CD2 3.84Å; L915-Y917 HydrophobicContact CD2-CE2 3.79Å; L915-Y917 HydrophobicContact CG-CD2 4.44Å; Y917-D919 PolarHBondContact O-N 3.33Å
918	P	27.2	Very low	34.8	Very low	100 Å²	100	132.6 Å²	132.6	65%	0.649	71%	0.714	S	S	*	*			trans	-71.2	115.3	155.2	29.5	-29	0	0	0	107.6	P916 I920	P916-P918 WeakPolarHBondContact O-CD 3.27Å; P918-I920 VanDerWaalsContact C-N 3.35Å; P918-I920 PolarHBondContact O-N 2.99Å
919	D	24.4	Very low	32.1	Very low	162 Å²	162	136.9 Å²	136.9	87%	0.866	75%	0.745	S	S	*	*			trans	-64.7	89	178.7	-103.7	-36.3	0	0	0	111.4	Y917 R921	Y917-D919 PolarHBondContact O-N 3.33Å; D919-R921 VanDerWaalsContact C-N 3.32Å; D919-R921 PolarHBondContact O-N 3.01Å; D919-R921 VanDerWaalsContact O-N 3.07Å
920	I	28.8	Very low	29.9	Very low	145 Å²	145	137 Å²	137	74%	0.744	75%	0.753	S	S	*	*			trans	-82.5	85.3	169.4	-58.2	-179	0	0	0	108.7	P918	P918-I920 VanDerWaalsContact C-N 3.35Å; P918-I920 PolarHBondContact O-N 2.99Å
921	R	22.8	Very low	27.8	Very low	216 Å²	216	141.4 Å²	141.4	82%	0.815	76%	0.764	S	S	*	*			trans	34	96.9	147	-60.8	-178.8	-178.6	-178.7	0.6	116.6	D919	D919-R921 VanDerWaalsContact C-N 3.32Å; D919-R921 PolarHBondContact O-N 3.01Å; D919-R921 VanDerWaalsContact O-N 3.07Å
922	Y	26.6	Very low	26.7	Very low	226 Å²	226	143.1 Å²	143.1	89%	0.886	78%	0.776	S	S	*	*			trans	-115.6	97.7	136.3	-88.6	-87.1	0	0	0	109.5	N924	Y922-N924 PolarHBondContact O-N 2.99Å
923	N	22.2	Very low	26.3	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	78%	0.778	S	S	*	*			trans	-64.7	120.1	160.2	-82.1	-11.1	0	0	0	108.1
924	N	28.1	Very low	26.1	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	77%	0.768	S	S	*	*			trans	-149	134.7	141.3	-100.2	-28.2	0	0	0	109.4	Y922	Y922-N924 PolarHBondContact O-N 2.99Å
925	S	22.9	Very low	26	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	77%	0.773	S	S	*	*			trans	-85.6	170.4	-166.7	52.9	0	0	0	0	113.6
926	T	23.8	Very low	26	Very low	134 Å²	134	150.6 Å²	150.6	82%	0.822	79%	0.788	S	S	*	*			trans	62.6	100	153.3	46.5	0	0	0	0	119
927	A	27	Very low	25.7	Very low	104 Å²	104	152.5 Å²	152.5	86%	0.86	79%	0.786	S	S	*	*				-159.9	142.1	120.8	0	0	0	0	0	110.4
928	M	25.3	Very low	25.7	Very low	194 Å²	194	151.4 Å²	151.4	96%	0.956	79%	0.793	S	S	*	*			trans	-83.6	153.9	-177.9	-73.4	179.5	148.3	0	0	113.2
929	S	23.7	Very low	25.5	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	79%	0.791	S	S	*	*			trans	-80.4	164.2	161	69.8	0	0	0	0	110.2
930	P	31.1	Very low	25.5	Very low	115 Å²	115	150.2 Å²	150.2	75%	0.747	79%	0.793	S	S	*	*				-150.5	159.4	70.5	37.5	-16.6	0	0	0	118.6
931	K	23	Very low	25.4	Very low	194 Å²	194	149 Å²	149	84%	0.843	79%	0.792	S	S	*	*			trans	13.5	141.4	147.6	-58.2	178.7	176.2	-177.5	0	121.1
932	L	27.1	Very low	25.4	Very low	158 Å²	158	143.7 Å²	143.7	83%	0.827	79%	0.788	S	S	*	*				-169.2	142.6	122.4	-121.4	88.6	0	0	0	112.4
933	H	28.5	Very low	25.4	Very low	146 Å²	146	141.2 Å²	141.2	68%	0.676	79%	0.789	S	S	*	*			trans	29.8	153	149.3	-73.2	-76.3	0	0	0	122.8
934	E	25.9	Very low	25.7	Very low	153 Å²	153	142 Å²	142	72%	0.715	79%	0.793	S	S	*	*			cis	-171.3	-178.1	-15.9	-165.4	154.1	-124.5	0	0	108.6
935	D	23.2	Very low	25.6	Very low	127 Å²	127	137.5 Å²	137.5	68%	0.679	79%	0.785	S	S	*	*			trans	-62.6	146.9	-169.3	-56.9	-70.3	0	0	0	117.4
936	I	27.4	Very low	25.7	Very low	168 Å²	168	142.5 Å²	142.5	86%	0.862	80%	0.795	S	S	*	*			trans	-132.1	110	137.5	-62.4	-175.6	0	0	0	108.4
937	H	24.2	Very low	25.6	Very low	161 Å²	161	147.2 Å²	147.2	75%	0.745	80%	0.798	S	S	*	*			trans	-72.5	139.6	160.8	-100.8	-96.7	0	0	0	109.5
938	D	26.1	Very low	25.5	Very low	160 Å²	160	150 Å²	150	86%	0.856	80%	0.797	S	S	*	*			trans	-144.5	148	138.8	-133.6	-23.5	0	0	0	111.7
939	S	24	Very low	25.3	Very low	87 Å²	87	145.5 Å²	145.5	61%	0.608	78%	0.783	S	S	*	*			trans	-117.7	135.9	-156.9	61.2	0	0	0	0	114
940	V	24.2	Very low	25.3	Very low	150 Å²	150	145.9 Å²	145.9	91%	0.909	78%	0.781	S	S	*	*			trans	-132.8	112.6	159	-178.5	0	0	0	0	109
941	T	26.1	Very low	25.1	Very low	118 Å²	118	146.6 Å²	146.6	72%	0.724	78%	0.784	S	S	*	*			trans	-91.8	131.8	-175	42.7	0	0	0	0	113.5
942	S	23.7	Very low	25	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	78%	0.781	S	S	*	*			trans	47.9	125.5	145.3	66.2	0	0	0	0	121.3
943	I	26.6	Very low	25.1	Very low	174 Å²	174	145 Å²	145	89%	0.892	78%	0.78	S	S	*	*				-146.1	149.9	125	-98.2	150.9	0	0	0	108.3
944	N	27.6	Very low	25.1	Very low	164 Å²	164	146.4 Å²	146.4	88%	0.877	80%	0.799	S	S	*	*			trans	-68.5	152.2	-170	-68.7	-49	0	0	0	115.5
945	G	25.6	Very low	25.1	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	80%	0.803	S	S	*	*			trans	119.1	90	130.4	0	0	0	0	0	118.8
946	K	25.9	Very low	25.2	Very low	202 Å²	202	147.1 Å²	147.1	88%	0.878	81%	0.81	S	S	*	*				170	118.8	114.9	-93.5	171.5	-179.7	179.9	0	112
947	R	22.5	Very low	25	Very low	234 Å²	234	145.9 Å²	145.9	88%	0.883	81%	0.807	S	S	*	*			trans	-73.8	147.3	143.6	-78.4	179	171.9	173.2	-3.9	107.8
948	L	24.8	Very low	25.1	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	81%	0.81	S	S	*	*			trans	-141.9	122.6	144.3	-106.1	169.1	0	0	0	108.4
949	C	21.3	Very low	25	Very low	99 Å²	99	144.1 Å²	144.1	67%	0.669	81%	0.807	S	S	*	*			trans	-97.6	151.8	168.4	-69.7	0	0	0	0	108.6
950	V	23.3	Very low	25.1	Very low	115 Å²	115	147.9 Å²	147.9	70%	0.697	82%	0.821	S	S	*	*			trans	49.1	123.4	137.7	-179.5	0	0	0	0	119.5	E952	V950-E952 HydrophobicContact CG1-CB 4.49Å; V950-E952 HydrophobicContact CG1-CG 4.02Å
951	T	26.2	Very low	25.2	Very low	131 Å²	131	147.8 Å²	147.8	80%	0.804	81%	0.814	S	S	*	*				-141.1	114.3	125.9	51.2	0	0	0	0	105.7
952	E	21.8	Very low	25.1	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	82%	0.821	S	S	*	*				44.1	109.1	78.3	-76.4	-168.1	160.6	0	0	113.8	V950	V950-E952 HydrophobicContact CG1-CB 4.49Å; V950-E952 HydrophobicContact CG1-CG 4.02Å
953	N	28.9	Very low	25.2	Very low	152 Å²	152	153.8 Å²	153.8	81%	0.813	83%	0.828	S	S	*	*			trans	-156.3	105.8	146.5	-101.8	-22.9	0	0	0	108.6
954	T	28.4	Very low	25.1	Very low	175 Å²	175	151.9 Å²	151.9	100%	1.074	82%	0.822	S	S	*	*			trans	45.9	0	148.8	61.8	0	0	0	0	120.2	K788	K788-T954 PolarHBondContact NZ-OXT 2.93Å

Retrieved 954 of 954 residues in 1807.8 ms (Link to these results)

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