A0A3Q0KF13_SCHMA Loading...

Cilia- and flagella-associated protein 251

AlphaFold DB , UniProt , Accession A0A3Q0KF13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,035 aa.

						>A0A3Q0KF13_SCHMA|A0A3Q0KF13
MNDLDPNVAFDNSYPVHHQVSPQQTPNSYGSMNVTDNTNQNDDFDKNTQGSNEAKHLVEHKTENEISCLNPVVPEAISPSWTFGFNQSVPLINLSDDQSNIVFYASAHLLVLFDIKNNRQKILRGHCNEVMSITCSGDKRWLASGDRGIDSAVIVWDIKTGEAVRTITKPHSYGVVSVALTKDARYLATLGADSVDQSLSIWNWTSGSDLPHCQVKISGELSFQTKITFNPDNYYHISTNGEHQVIFYSWSNQEKDIVAYAPSLKDDDFKQKVGQFSCTQYIPDKFIAITGTSTGLLVIWESDKQPVKGDNYETPYKRATKLIPLHEKGITFLTTTACHPYGKCIVTGDSSGQVKFFDCSFMLLFWYQDLKFGPVNCISFATTSLLTEKNQSSLTESIKGKDYPTCATIGAEPFIIEDFIVSTSSAVMISVTVEGGFKKIVLIEHDSDVNALTTHPVLNHIATCSYSGLIKVYDYESKLVITMKSFGLNNPIQSCVYDKTGQYLAVGFMSGYLRVLDSLTLNEMTPEPFTYGKGPITHIDFSYCNNYCAYADSAFTTTLLLRSNSQECENSWCYVARVRAHNRRITDLLFWTLTESKRSRLFTLSEDRTLAEYDLYNARKHSLPVIARYQVEQLAKPLCLSMLPLSCYKEEFFFISNSASKIKLYNTSTLMCRKTVSSFPQGIQYTKVLPLISQTNNSSYFMVCLSKERLGLIMLPFDGDPLKYTNIIAHPSNGRGVGQAQGLAIDRKGLYAFTAGGPDTCVHMWTLNPRILEITVNIAGCMKRRFYDFLSPDFLEEMKDYFYYSMIRTQGIRCMDERKTSFTIPITGIPFVMRAIGFYPTEAEVENMINEIKYSKFCETGEYTTEIDLDTFIQCVLYKDIENAFNILTNTNVDKKENCAQLSNSHETITQEKPTMTMEELFLTLQDSGEAIGEAEMSEYMAILWGILPEGDHQEMLEQIDPEKIKKELESRMSKPINAETFVSDILQMYVYGEDKLSVSHSEEPLSGKIEKTNTSLPNDLASNEKYIANSTQTE
					

Structure Viewer

Loading PAE data...

(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	24.7	Very low	26.6	Very low	199 Å²	199	141.5 Å²	141.5	98%	0.98	78%	0.777	S	S	*	*				0	17.7	0	-99.2	179.2	174	0	0	112.7
2	N	23.7	Very low	26.5	Very low	156 Å²	156	140.4 Å²	140.4	83%	0.834	77%	0.769	S	S	*	*			trans	-105.5	7.1	-176.4	-74.1	2.9	0	0	0	114.9
3	D	25.5	Very low	26.2	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	76%	0.758	S	S	*	*			trans	-114.3	47.2	-178.3	-62.8	-34.8	0	0	0	112
4	L	27.5	Very low	26	Very low	153 Å²	153	141.1 Å²	141.1	80%	0.801	76%	0.76	S	S	*	*			trans	-99.5	100.2	164.6	-85.8	157.1	0	0	0	107.2	P6	L4-P6 VanDerWaalsContact O-CD 3.27Å; L4-P6 WeakPolarHBondContact O-CD 3.32Å
5	D	28.6	Very low	25.9	Very low	116 Å²	116	138.4 Å²	138.4	62%	0.62	75%	0.753	S	S	*	*			trans	-62.4	113.2	174.2	-161.8	-16.2	0	0	0	108.8	N7	D5-N7 PolarHBondContact O-N 3.37Å
6	P	33.3	Very low	25.9	Very low	120 Å²	120	137.6 Å²	137.6	78%	0.779	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	5.2	-172.9	24.1	-26.4	0	0	0	114.1	L4	L4-P6 VanDerWaalsContact O-CD 3.27Å; L4-P6 WeakPolarHBondContact O-CD 3.32Å
7	N	25.2	Very low	25.8	Very low	136 Å²	136	139.4 Å²	139.4	73%	0.727	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	17.8	-175.3	-69.5	-34.9	0	0	0	114.9	D5 A9	D5-N7 PolarHBondContact O-N 3.37Å; N7-A9 PolarHBondContact O-N 3.11Å
8	V	28.6	Very low	25.8	Very low	106 Å²	106	141.6 Å²	141.6	64%	0.642	76%	0.759	S	S	*	*			trans	-72.3	81.9	164.9	-173.4	0	0	0	0	108.3	F10	V8-F10 PolarHBondContact O-N 2.84Å
9	A	24.4	Very low	25.8	Very low	93 Å²	93	144.1 Å²	144.1	77%	0.769	77%	0.766	S	S	*	*			trans	-63	113.6	169.3	0	0	0	0	0	108.3	N7 D11	N7-A9 PolarHBondContact O-N 3.11Å; A9-D11 PolarHBondContact O-N 3.15Å
10	F	27.7	Very low	25.8	Very low	169 Å²	169	143.7 Å²	143.7	74%	0.741	77%	0.769	S	S	*	*			trans	-65.8	116.5	174.1	-73.8	-90	0	0	0	109.3	V8 N12	V8-F10 PolarHBondContact O-N 2.84Å; F10-N12 VanDerWaalsContact C-N 3.32Å; F10-N12 PolarHBondContact O-N 2.93Å
11	D	23.4	Very low	25.8	Very low	142 Å²	142	141.6 Å²	141.6	76%	0.759	77%	0.765	S	S	*	*			trans	-72	88.1	174.2	-158.6	2.3	0	0	0	108.9	A9 S13	A9-D11 PolarHBondContact O-N 3.15Å; D11-S13 PolarHBondContact O-N 3.46Å
12	N	25.6	Very low	25.9	Very low	129 Å²	129	137.9 Å²	137.9	69%	0.69	76%	0.756	S	S	*	*			trans	-76.5	37.4	178.9	-83.5	-18.6	0	0	0	112.5	F10 Y14	F10-N12 VanDerWaalsContact C-N 3.32Å; F10-N12 PolarHBondContact O-N 2.93Å; N12-Y14 VanDerWaalsContact C-N 3.28Å; N12-Y14 PolarHBondContact O-N 3.46Å
13	S	22.8	Very low	26	Very low	89 Å²	89	139.3 Å²	139.3	62%	0.622	76%	0.758	S	S	*	*			trans	-79.9	77	174.4	71.8	0	0	0	0	110.3	D11	D11-S13 PolarHBondContact O-N 3.46Å
14	Y	23.6	Very low	26	Very low	201 Å²	201	140.6 Å²	140.6	79%	0.788	76%	0.758	S	S	*	*			trans	-69.4	130.8	163.5	-81.2	-86.1	0	0	0	109.1	N12 V16	N12-Y14 VanDerWaalsContact C-N 3.28Å; N12-Y14 PolarHBondContact O-N 3.46Å; Y14-V16 PolarHBondContact O-N 3.49Å; Y14-V16 VanDerWaalsContact O-N 3.1Å
15	P	24.6	Very low	25.9	Very low	101 Å²	101	139.2 Å²	139.2	66%	0.656	76%	0.757	S	S	*	*			trans	-65.5	117.8	174.3	26.3	-30.2	0	0	0	108.2	H17	P15-H17 VanDerWaalsContact C-N 3.3Å; P15-H17 PolarHBondContact O-N 3.42Å
16	V	24.7	Very low	25.8	Very low	126 Å²	126	139.5 Å²	139.5	76%	0.764	77%	0.765	S	S	*	*			trans	-59.4	94.7	172.8	179.5	0	0	0	0	107.5	Y14 H18	Y14-V16 PolarHBondContact O-N 3.49Å; Y14-V16 VanDerWaalsContact O-N 3.1Å; V16-H18 PolarHBondContact O-N 3.01Å
17	H	24.8	Very low	25.5	Very low	168 Å²	168	140.6 Å²	140.6	78%	0.778	76%	0.764	S	S	*	*			trans	-63	108.4	165.2	-89	-75.1	0	0	0	106.9	P15 Q19	P15-H17 VanDerWaalsContact C-N 3.3Å; P15-H17 PolarHBondContact O-N 3.42Å; H17-Q19 VanDerWaalsContact C-N 3.34Å; H17-Q19 PolarHBondContact O-N 3.41Å
18	H	26	Very low	25.6	Very low	178 Å²	178	139.4 Å²	139.4	82%	0.824	77%	0.766	S	S	*	*			trans	-51.7	99.8	168.6	-79.3	-74	0	0	0	108.7	V16 V20	V16-H18 PolarHBondContact O-N 3.01Å; H18-V20 PolarHBondContact O-N 3.06Å; H18-V20 VanDerWaalsContact O-N 3.1Å
19	Q	26.3	Very low	25.6	Very low	189 Å²	189	144.6 Å²	144.6	88%	0.883	78%	0.776	S	S	*	*			trans	-60.6	112.3	168.1	-83.7	-178.4	-22.4	0	0	107.5	H17 S21	H17-Q19 VanDerWaalsContact C-N 3.34Å; H17-Q19 PolarHBondContact O-N 3.41Å; Q19-S21 PolarHBondContact O-N 3.11Å; Q19-S21 VanDerWaalsContact O-N 3.08Å
20	V	25.9	Very low	25.7	Very low	137 Å²	137	143.8 Å²	143.8	83%	0.83	78%	0.776	S	S	*	*			trans	-60.5	111.4	163.5	178	0	0	0	0	106.2	H18	H18-V20 PolarHBondContact O-N 3.06Å; H18-V20 VanDerWaalsContact O-N 3.1Å
21	S	25.2	Very low	25.6	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-49.4	124	178.3	44.3	0	0	0	0	110.7	Q19 Q23	Q19-S21 PolarHBondContact O-N 3.11Å; Q19-S21 VanDerWaalsContact O-N 3.08Å; S21-Q23 PolarHBondContact O-N 3.03Å
22	P	27	Very low	25.7	Very low	121 Å²	121	142.6 Å²	142.6	79%	0.786	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-68.2	126.8	-177.5	17	-16.1	0	0	0	110	Q24	P22-Q24 PolarHBondContact O-N 2.92Å
23	Q	25.8	Very low	25.7	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-56.9	124.9	170.8	-78	179.2	-18.7	0	0	109.3	S21 T25	S21-Q23 PolarHBondContact O-N 3.03Å; Q23-T25 PolarHBondContact O-N 3.41Å; Q23-T25 VanDerWaalsContact O-N 3.09Å
24	Q	24.5	Very low	25.9	Very low	193 Å²	193	145.3 Å²	145.3	90%	0.902	79%	0.794	S	S	*	*			trans	-55.2	107.9	177.2	-68.9	171.2	-16.5	0	0	110.3	P22	P22-Q24 PolarHBondContact O-N 2.92Å
25	T	26.4	Very low	26	Very low	125 Å²	125	141 Å²	141	77%	0.767	79%	0.789	S	S	*	*			trans	-82.3	127.1	158.2	39	0	0	0	0	108.1	Q23 N27	Q23-T25 PolarHBondContact O-N 3.41Å; Q23-T25 VanDerWaalsContact O-N 3.09Å; T25-N27 PolarHBondContact O-N 3.4Å
26	P	26.9	Very low	26	Very low	122 Å²	122	143.2 Å²	143.2	79%	0.792	80%	0.796	S	S	*	*			trans	-77.5	118.2	-172.2	20.1	-14.9	0	0	0	110.9	S28	P26-S28 PolarHBondContact O-N 3.4Å; P26-S28 VanDerWaalsContact O-N 3.08Å
27	N	25.8	Very low	26.1	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	80%	0.797	S	S	*	*			trans	-69.1	93	166	-80.4	-22.6	0	0	0	109.8	T25	T25-N27 PolarHBondContact O-N 3.4Å
28	S	27.4	Very low	26	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	80%	0.797	S	S	*	*			trans	-98.9	79.7	162.4	61.8	0	0	0	0	109.5	P26 G30	P26-S28 PolarHBondContact O-N 3.4Å; P26-S28 VanDerWaalsContact O-N 3.08Å; S28-G30 PolarHBondContact O-N 2.71Å
29	Y	28.6	Very low	26.1	Very low	215 Å²	215	140.9 Å²	140.9	84%	0.843	80%	0.795	S	S	*	*			trans	-78.5	98.1	161.3	-82	-84.1	0	0	0	107.6	S31	Y29-S31 PolarHBondContact O-N 2.87Å
30	G	27.5	Very low	26	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	79%	0.792	S	S	*	*			trans	-64.6	117.7	174.3	0	0	0	0	0	110.5	S28 M32	S28-G30 PolarHBondContact O-N 2.71Å; G30-M32 PolarHBondContact O-N 3.45Å
31	S	25.3	Very low	25.9	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	79%	0.785	S	S	*	*			trans	-66	103.9	167	53.5	0	0	0	0	109.4	Y29 N33	Y29-S31 PolarHBondContact O-N 2.87Å; S31-N33 PolarHBondContact O-N 3.07Å
32	M	25	Very low	25.9	Very low	183 Å²	183	141.2 Å²	141.2	90%	0.901	79%	0.785	S	S	*	*			trans	-74.9	103.9	165.8	-99.3	179.5	170.9	0	0	108.5	G30 V34	G30-M32 PolarHBondContact O-N 3.45Å; M32-V34 PolarHBondContact O-N 3.04Å
33	N	25.4	Very low	25.8	Very low	141 Å²	141	142.3 Å²	142.3	75%	0.754	79%	0.785	S	S	*	*			trans	-63.9	112.1	167.5	-80.7	-20.6	0	0	0	109	S31 T35	S31-N33 PolarHBondContact O-N 3.07Å; N33-T35 PolarHBondContact O-N 2.99Å
34	V	26.8	Very low	25.7	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	78%	0.784	S	S	*	*			trans	-74	102	167.4	179.2	0	0	0	0	106.9	M32	M32-V34 PolarHBondContact O-N 3.04Å
35	T	26.6	Very low	25.8	Very low	112 Å²	112	141.1 Å²	141.1	69%	0.687	78%	0.781	S	S	*	*			trans	-94.2	114	167.6	48.7	0	0	0	0	108.8	N33 N37	N33-T35 PolarHBondContact O-N 2.99Å; T35-N37 PolarHBondContact O-N 3.02Å
36	D	24	Very low	25.7	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	78%	0.779	S	S	*	*			trans	-53.9	114.9	167.9	-72.3	-40.1	0	0	0	110.3
37	N	26.9	Very low	25.5	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	78%	0.777	S	S	*	*			trans	-129	91.1	163.8	-95.3	-22.2	0	0	0	108.3	T35 N39	T35-N37 PolarHBondContact O-N 3.02Å; N37-N39 PolarHBondContact O-N 3.44Å
38	T	23	Very low	25.7	Very low	129 Å²	129	144 Å²	144	79%	0.791	78%	0.783	S	S	*	*			trans	-68.7	114	161.2	46.5	0	0	0	0	109.6
39	N	27.1	Very low	25.4	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	79%	0.79	S	S	*	*			trans	-150	95.9	157	-86.3	-28.4	0	0	0	105.5	N37	N37-N39 PolarHBondContact O-N 3.44Å
40	Q	24.9	Very low	25.4	Very low	172 Å²	172	141.7 Å²	141.7	80%	0.804	79%	0.788	S	S	*	*				48.1	106.1	96.4	-79.8	-167.7	-2	0	0	114.6
41	N	23.5	Very low	25.1	Very low	131 Å²	131	143 Å²	143	70%	0.701	79%	0.786	S	S	*	*				75.5	126	128.9	-75.6	17.3	0	0	0	121.1
42	D	25.2	Very low	25	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	79%	0.787	S	S	*	*			trans	105.1	125.9	134.7	-61.3	-17.9	0	0	0	119.9
43	D	26.3	Very low	25.1	Very low	144 Å²	144	143.7 Å²	143.7	77%	0.77	78%	0.78	S	S	*	*			trans	79.6	95.7	146.2	-63	-20.4	0	0	0	120.4	D45	D43-D45 PolarHBondContact O-N 3.23Å
44	F	22.9	Very low	25	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.864	78%	0.784	S	S	*	*				-9.8	119.5	124.2	-82.5	-93	0	0	0	113.9
45	D	26.4	Very low	25.1	Very low	157 Å²	157	144 Å²	144	84%	0.84	78%	0.783	S	S	*	*				-156.1	152.5	126	-121.6	-26.5	0	0	0	115.4	D43	D43-D45 PolarHBondContact O-N 3.23Å
46	K	24.7	Very low	24.9	Very low	167 Å²	167	147.5 Å²	147.5	73%	0.726	79%	0.791	S	S	*	*			trans	-77.4	167.7	-167.4	-68	170.2	168.6	168.4	0	114.2
47	N	23.4	Very low	25	Very low	138 Å²	138	147.5 Å²	147.5	74%	0.738	79%	0.79	S	S	*	*			trans	78.5	119.7	149.5	-61	-29.1	0	0	0	116.7
48	T	28.1	Very low	24.8	Very low	144 Å²	144	146.7 Å²	146.7	88%	0.883	79%	0.79	S	S	*	*				-173.4	134.3	93	19	0	0	0	0	111.8
49	Q	21.4	Very low	24.8	Very low	201 Å²	201	148.3 Å²	148.3	94%	0.939	79%	0.789	S	S	*	*			trans	-63.9	135.9	166.1	-70.3	170.4	-38.1	0	0	110
50	G	28.4	Very low	24.7	Very low	78 Å²	78	149.9 Å²	149.9	80%	0.804	79%	0.791	S	S	*	*			trans	-142.7	90.4	171.5	0	0	0	0	0	110
51	S	21.3	Very low	24.7	Very low	102 Å²	102	151 Å²	151	71%	0.713	79%	0.793	S	S	*	*			trans	-67.9	133.5	165.9	51.5	0	0	0	0	111
52	N	24.1	Very low	24.7	Very low	140 Å²	140	150.4 Å²	150.4	75%	0.749	79%	0.794	S	S	*	*				160	147.5	116.5	-90	-16.4	0	0	0	114.8
53	E	26.6	Very low	24.7	Very low	162 Å²	162	152.5 Å²	152.5	76%	0.757	80%	0.8	S	S	*	*			trans	85.5	83.2	154.3	-73.8	172.9	-156.2	0	0	119	K55	E53-K55 PolarHBondContact O-N 2.64Å
54	A	24	Very low	24.6	Very low	103 Å²	103	152.2 Å²	152.2	85%	0.851	80%	0.799	S	S	*	*			trans	-58	113.3	157.5	0	0	0	0	0	111.6
55	K	28.6	Very low	24.7	Very low	177 Å²	177	151.1 Å²	151.1	77%	0.77	80%	0.796	S	S	*	*			trans	-107.9	112.1	160.2	-79.2	-178.1	178	173.2	0	108.9	E53 L57	E53-K55 PolarHBondContact O-N 2.64Å; K55-L57 PolarHBondContact O-N 3.04Å; K55-L57 VanDerWaalsContact O-N 3.12Å
56	H	23.2	Very low	24.7	Very low	185 Å²	185	150.8 Å²	150.8	86%	0.856	79%	0.793	S	S	*	*			trans	-52.3	107.5	170.4	-93.5	-89.3	0	0	0	110.9
57	L	24.8	Very low	24.8	Very low	148 Å²	148	146.8 Å²	146.8	78%	0.775	79%	0.786	S	S	*	*			trans	-118.3	111.7	156.8	-99.7	132.2	0	0	0	107.1	K55 E59	K55-L57 PolarHBondContact O-N 3.04Å; K55-L57 VanDerWaalsContact O-N 3.12Å; L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.24Å
58	V	23.6	Very low	24.9	Very low	129 Å²	129	145.8 Å²	145.8	78%	0.782	79%	0.788	S	S	*	*			trans	-72.6	90.1	175.9	177.3	0	0	0	0	106.7
59	E	23.2	Very low	25.1	Very low	164 Å²	164	145.8 Å²	145.8	77%	0.766	78%	0.782	S	S	*	*			trans	-92.1	121.2	170	-79.9	-175.3	165.8	0	0	109.6	L57 K61	L57-E59 VanDerWaalsContact C-N 3.33Å; L57-E59 PolarHBondContact O-N 3.24Å; E59-K61 PolarHBondContact O-N 2.92Å
60	H	23.8	Very low	25.5	Very low	180 Å²	180	142.6 Å²	142.6	83%	0.833	77%	0.772	S	S	*	*			trans	-52.8	102.8	172	-78.3	-94.2	0	0	0	109.9	T62	H60-T62 PolarHBondContact O-N 3.3Å
61	K	24.6	Very low	25.8	Very low	196 Å²	196	144.3 Å²	144.3	85%	0.852	77%	0.769	S	S	*	*			trans	-64.9	98.8	166.2	-80.6	-177.3	174	-178.6	0	108.2	E59 E63	E59-K61 PolarHBondContact O-N 2.92Å; K61-E63 PolarHBondContact O-N 2.94Å; K61-E63 VanDerWaalsContact O-N 3.14Å
62	T	24.1	Very low	27.5	Very low	118 Å²	118	145.7 Å²	145.7	72%	0.724	77%	0.772	S	S	*	*			trans	-57.3	109.6	151.9	41.2	0	0	0	0	107.1	H60 N64	H60-T62 PolarHBondContact O-N 3.3Å; T62-N64 PolarHBondContact O-N 3.02Å
63	E	24.6	Very low	29.4	Very low	173 Å²	173	144.5 Å²	144.5	81%	0.808	77%	0.77	S	S	*	*			trans	-60.9	86.1	169.6	-70.8	174.4	158.5	0	0	108.2	K61 E65	K61-E63 PolarHBondContact O-N 2.94Å; K61-E63 VanDerWaalsContact O-N 3.14Å; E63-E65 PolarHBondContact O-N 3.17Å
64	N	25.9	Very low	31.9	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	76%	0.76	S	S	*	*			trans	-70.2	89	156.8	-82.1	-14	0	0	0	105.7	T62 I66	T62-N64 PolarHBondContact O-N 3.02Å; N64-I66 PolarHBondContact O-N 3.34Å
65	E	25.1	Very low	35	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	74%	0.737	S	S	*	*			trans	-52.7	89.3	162	-69.8	-178.5	153	0	0	108.1	E63 S67	E63-E65 PolarHBondContact O-N 3.17Å; E65-S67 PolarHBondContact O-N 3.37Å
66	I	25.8	Very low	38	Very low	150 Å²	150	131.7 Å²	131.7	77%	0.769	70%	0.704	S	S	*	*			trans	-71.1	87.2	159.8	-60.6	173	0	0	0	104	N64 C68	N64-I66 PolarHBondContact O-N 3.34Å; I66-C68 PolarHBondContact O-N 2.72Å
67	S	27.3	Very low	41.4	Very low	82 Å²	82	123.3 Å²	123.3	57%	0.573	67%	0.665	S	S	*	*			trans	-54	109.6	168.8	59.6	0	0	0	0	107.4	E65 L69	E65-S67 PolarHBondContact O-N 3.37Å; S67-L69 PolarHBondContact O-N 3.49Å
68	C	25.4	Very low	44.8	Very low	118 Å²	118	117.8 Å²	117.8	80%	0.797	64%	0.639	S	S	*	*			trans	-66.2	71	169.6	-56.8	0	0	0	0	108.8	I66 N70	I66-C68 PolarHBondContact O-N 2.72Å; C68-N70 PolarHBondContact O-N 3.35Å; C68-N70 VanDerWaalsContact O-N 3.11Å
69	L	30.7	Very low	48.2	Very low	143 Å²	143	112.5 Å²	112.5	75%	0.749	61%	0.607	S	S	*	*			trans	-66.4	104.8	161.3	-75.4	157.6	0	0	0	104.9	S67 P71	S67-L69 PolarHBondContact O-N 3.49Å; L69-P71 WeakPolarHBondContact O-CD 3.18Å
70	N	29.7	Very low	51.7	Low	135 Å²	135	106.4 Å²	106.4	72%	0.722	58%	0.583	S	S	*	*			trans	-47.9	118.5	172.5	-80.1	-26.8	0	0	0	107.8	C68 V72	C68-N70 PolarHBondContact O-N 3.35Å; C68-N70 VanDerWaalsContact O-N 3.11Å; N70-V72 PolarHBondContact O-N 2.91Å
71	P	36.1	Very low	55.2	Low	114 Å²	114	98.9 Å²	98.9	74%	0.74	55%	0.547	S	S	*	.			trans	-61.2	117.8	178.2	23.1	-30	0	0	0	106.9	L69 V73	L69-P71 WeakPolarHBondContact O-CD 3.18Å; P71-V73 PolarHBondContact O-N 3.14Å
72	V	56.2	Low	58.6	Low	130 Å²	130	89.7 Å²	89.7	79%	0.788	51%	0.507	S	S	*	.			trans	-52.8	115.3	175.3	178.5	0	0	0	0	106.7	N70 P74	N70-V72 PolarHBondContact O-N 2.91Å; V72-P74 WeakPolarHBondContact O-CD 3.46Å; V72-P74 VanDerWaalsContact O-N 3.16Å
73	V	64.6	Low	62	Low	115 Å²	115	84.4 Å²	84.4	70%	0.697	47%	0.474	S	S	*	.			trans	-58.2	123	179	-178.8	0	0	0	0	106.6	P71 E75	P71-V73 PolarHBondContact O-N 3.14Å; V73-E75 PolarHBondContact O-N 2.83Å
74	P	78.7	Confident	65.2	Low	86 Å²	86	76.3 Å²	76.3	56%	0.558	44%	0.437	S	S	*	.			trans	-63.3	126.5	-176.7	24.3	-32.3	0	0	0	109.1	V72 I771	V72-P74 WeakPolarHBondContact O-CD 3.46Å; V72-P74 VanDerWaalsContact O-N 3.16Å; P74-I771 HydrophobicContact CB-CD1 3.76Å; P74-I771 HydrophobicContact CB-CG1 4.13Å; P74-I771 WeakPolarHBondContact O-CD1 3.36Å
75	E	88.7	Confident	68.5	Low	79 Å²	79	70 Å²	70	37%	0.369	40%	0.403	S	S	.	.			trans	-105.4	141.1	179.4	-69.1	178.7	-151.5	0	0	111.3	V73 I77 R124 I771	V73-E75 PolarHBondContact O-N 2.83Å; E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.28Å; E75-R124 VanDerWaalsContact CD-NH1 3.25Å; E75-R124 IonicContact OE1-CZ 2.66Å; E75-R124 IonicContact OE1-NH1 2.63Å; E75-R124 PolarHBondContact OE1-NH1 2.77Å; E75-R124 IonicContact OE2-CZ 2.86Å; E75-R124 VanDerWaalsContact OE2-CZ 3.27Å; E75-R124 IonicContact OE2-NH1 2.77Å; E75-R124 PolarHBondContact OE2-NH1 2.89Å; E75-R124 IonicContact OE2-NH2 3.93Å; E75-R124 PolarHBondContact OE2-NH2 3.06Å; E75-I771 WeakPolarHBondContact O-CD1 3.35Å
76	A	91.9	Very high	71.8	Confident	9 Å²	9	62.2 Å²	62.2	7%	0.074	37%	0.367	C	S	.	.	S	Bend	trans	-67.5	-32.7	-179.3	0	0	0	0	0	112.6	T725 N768 I771	A76-T725 HydrophobicContact CB-CG2 3.68Å; A76-N768 WeakPolarHBondContact CA-O 3.4Å; A76-N768 PolarHBondContact O-N 2.77Å; A76-I771 HydrophobicContact CB-CB 4.31Å
77	I	95.2	Very high	74.9	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.041	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	122.3	175	-50.2	174.5	0	0	0	107.3	E75 L710 L712 T725 I727 W765 T766 L767	E75-I77 VanDerWaalsContact C-N 3.3Å; E75-I77 PolarHBondContact O-N 3.28Å; I77-L710 HydrophobicContact CG2-CD2 3.95Å; I77-L712 HydrophobicContact CD1-CB 3.91Å; I77-L712 HydrophobicContact CG1-CB 4.31Å; I77-T725 HydrophobicContact CD1-CG2 4.3Å; I77-T725 HydrophobicContact CG1-CG2 4.43Å; I77-I727 HydrophobicContact CB-CG2 4.2Å; I77-I727 HydrophobicContact CD1-CG2 4.48Å; I77-I727 HydrophobicContact CG2-CG2 3.63Å; I77-W765 HydrophobicContact CG2-CB 4.15Å; I77-W765 HydrophobicContact CG2-CD2 4.49Å; I77-W765 HydrophobicContact CG2-CE3 4.12Å; I77-T766 WeakPolarHBondContact CA-O 3.3Å; I77-L767 HydrophobicContact CG1-CD2 4.21Å; I77-L767 HydrophobicContact CG2-CD2 4.29Å
78	S	95.1	Very high	77.9	Confident	32 Å²	32	56.2 Å²	56.2	22%	0.224	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.5	177	58.2	0	0	0	0	111.7	S80 W765 T766	S78-S80 PolarHBondContact O-N 2.93Å; S78-W765 CarbonylContact O-C 3.54Å; S78-W765 WeakPolarHBondContact O-CA 3.39Å; S78-T766 PolarHBondContact N-O 3.21Å; S78-T766 VanDerWaalsContact N-O 3.11Å; S78-T766 PolarHBondContact O-N 2.88Å
79	P	96.1	Very high	81.3	Confident	18 Å²	18	50.8 Å²	50.8	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.1	177.6	28.7	-32.9	0	0	0	109.9	L109 I122 R124 W765	P79-L109 HydrophobicContact CB-CD1 4.16Å; P79-I122 HydrophobicContact CB-CD1 3.97Å; P79-I122 HydrophobicContact CB-CG2 4.38Å; P79-I122 HydrophobicContact CG-CG2 4.17Å; P79-R124 VanDerWaalsContact CD-CZ 3.48Å; P79-R124 HydrophobicContact CG-CG 4.05Å; P79-W765 HydrophobicContact CB-CE3 3.95Å; P79-W765 HydrophobicContact CB-CH2 4.38Å; P79-W765 HydrophobicContact CB-CZ3 3.7Å; P79-W765 HydrophobicContact CG-CZ3 4.19Å
80	S	95.5	Very high	84.3	Confident	37 Å²	37	46 Å²	46	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-37.3	-179.5	-176.3	0	0	0	0	112.9	S78 M764 T766	S78-S80 PolarHBondContact O-N 2.93Å; S80-M764 PolarHBondContact N-O 2.87Å; S80-T766 WeakPolarHBondContact CB-OG1 3.47Å
81	W	97.5	Very high	87.5	Confident	22 Å²	22	39.8 Å²	39.8	8%	0.083	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154.3	-176.5	-166.5	-94.3	0	0	0	110	F83 F113 N118 Q120 K478 M764	W81-F83 AromaticContact CD1-CD1 3.78Å; W81-F83 AromaticContact CD1-CE1 3.6Å; W81-F83 AromaticContact CD1-CZ 3.75Å; W81-F83 AromaticContact NE1-CD1 3.85Å; W81-F83 AromaticContact NE1-CE1 3.82Å; W81-F113 HydrophobicContact CH2-CE2 4.05Å; W81-F113 HydrophobicContact CZ2-CE2 4.26Å; W81-N118 WeakPolarHBondContact CH2-O 3.36Å; W81-Q120 HydrophobicContact CD2-CB 4.43Å; W81-Q120 VanDerWaalsContact CD2-CD 3.45Å; W81-Q120 HydrophobicContact CD2-CG 4.08Å; W81-Q120 HydrophobicContact CE3-CB 3.8Å; W81-Q120 HydrophobicContact CE3-CG 3.81Å; W81-Q120 HydrophobicContact CH2-CB 4.27Å; W81-Q120 HydrophobicContact CH2-CG 3.61Å; W81-Q120 HydrophobicContact CZ2-CG 3.85Å; W81-Q120 VanDerWaalsContact CZ2-NE2 3.29Å; W81-Q120 HydrophobicContact CZ3-CB 3.73Å; W81-Q120 HydrophobicContact CZ3-CG 3.58Å; W81-K478 HydrophobicContact CB-CD 4.3Å; W81-K478 HydrophobicContact CD2-CB 4.38Å; W81-K478 HydrophobicContact CD2-CD 3.66Å; W81-K478 HydrophobicContact CD2-CG 3.98Å; W81-K478 HydrophobicContact CE3-CD 3.94Å; W81-K478 HydrophobicContact CE3-CG 3.93Å; W81-K478 HydrophobicContact CG-CD 3.82Å; W81-K478 HydrophobicContact CH2-CB 3.95Å; W81-K478 HydrophobicContact CH2-CG 4.06Å; W81-K478 HydrophobicContact CZ2-CB 3.75Å; W81-K478 HydrophobicContact CZ2-CG 4.15Å; W81-K478 HydrophobicContact CZ3-CB 4.36Å; W81-K478 HydrophobicContact CZ3-CD 4.47Å; W81-K478 HydrophobicContact CZ3-CG 3.95Å; W81-M764 HydrophobicContact CB-CB 3.99Å; W81-M764 HydrophobicContact CB-SD 4.02Å; W81-M764 PolarHBondContact N-O 3.17Å; W81-M764 PolarHBondContact O-N 2.66Å
82	T	96.5	Very high	90.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.2	165.5	-180	0	0	0	0	111.7	Y104 S106 V111 Q120 H763	T82-Y104 HydrophobicContact CG2-CE2 4.38Å; T82-S106 WeakPolarHBondContact CB-OG 3.49Å; T82-S106 PolarHBondContact OG1-OG 3.22Å; T82-V111 HydrophobicContact CG2-CG2 3.41Å; T82-V111 VanDerWaalsContact CG2-CG2 3.41Å; T82-Q120 PolarHBondContact O-NE2 2.99Å; T82-H763 PolarHBondContact OG1-CD2 2.7Å
83	F	94.9	Very high	92.2	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122	167.8	-46.7	-87.7	0	0	0	107.9	W81 Y473 F753 V762 M764	W81-F83 AromaticContact CD1-CD1 3.78Å; W81-F83 AromaticContact CD1-CE1 3.6Å; W81-F83 AromaticContact CD1-CZ 3.75Å; W81-F83 AromaticContact NE1-CD1 3.85Å; W81-F83 AromaticContact NE1-CE1 3.82Å; F83-Y473 HydrophobicContact CB-CE1 4.49Å; F83-Y473 AromaticContact CD1-CD1 3.62Å; F83-Y473 HydrophobicContact CD1-CD1 3.62Å; F83-Y473 HydrophobicContact CD1-CD2 4.4Å; F83-Y473 AromaticContact CD1-CE1 3.66Å; F83-Y473 HydrophobicContact CD1-CE1 3.66Å; F83-Y473 HydrophobicContact CD1-CE2 4.47Å; F83-Y473 AromaticContact CD1-CG 3.99Å; F83-Y473 HydrophobicContact CD1-CG 3.99Å; F83-Y473 AromaticContact CE1-CD1 3.83Å; F83-Y473 HydrophobicContact CE1-CD1 3.83Å; F83-Y473 HydrophobicContact CE1-CE1 4.35Å; F83-Y473 AromaticContact CE1-CG 3.97Å; F83-Y473 HydrophobicContact CE1-CG 3.97Å; F83-Y473 HydrophobicContact CG-CE1 4.45Å; F83-F753 HydrophobicContact CE2-CD1 4.15Å; F83-F753 HydrophobicContact CE2-CE1 4.07Å; F83-F753 HydrophobicContact CZ-CE1 4.48Å; F83-V762 HydrophobicContact CB-CB 4.2Å; F83-V762 HydrophobicContact CD2-CB 4.23Å; F83-V762 HydrophobicContact CD2-CG1 4.07Å; F83-V762 PolarHBondContact N-O 3.09Å; F83-V762 PolarHBondContact O-N 3.07Å; F83-M764 HydrophobicContact CE2-CB 4.06Å
84	G	92.7	Very high	93.6	Very high	3 Å²	3	24.4 Å²	24.4	3%	0.031	15%	0.145	C	C	.	.			trans	100.3	161.2	-169.6	0	0	0	0	0	112.8
85	F	94.9	Very high	94.3	Very high	5 Å²	5	20.7 Å²	20.7	2%	0.022	12%	0.122	C	C	.	.			trans	-145	153	173.1	60.7	-89.1	0	0	0	107.9	Q87 Y104 A105 M428 L442 E444	F85-Q87 HydrophobicContact CE2-CB 4.18Å; F85-Q87 PolarHBondContact O-N 3.44Å; F85-Y104 HydrophobicContact CB-CD2 3.34Å; F85-Y104 HydrophobicContact CB-CE2 3.58Å; F85-Y104 HydrophobicContact CB-CG 4.09Å; F85-Y104 HydrophobicContact CG-CD2 4.46Å; F85-A105 CarbonylContact C-O 3.52Å; F85-M428 HydrophobicContact CD1-CE 4.33Å; F85-M428 HydrophobicContact CE1-CB 4.46Å; F85-M428 HydrophobicContact CE1-CE 4.34Å; F85-L442 HydrophobicContact CD1-CD1 4.49Å; F85-E444 HydrophobicContact CD1-CG 4.26Å; F85-E444 HydrophobicContact CE1-CG 4.3Å
86	N	94.1	Very high	94.2	Very high	11 Å²	11	20.2 Å²	20.2	6%	0.059	12%	0.122	C	C	.	.			trans	-70.2	100.1	175.4	-170.4	-14	0	0	0	109.6	S88 V89 A105 E129	N86-S88 PolarHBondContact O-N 3.12Å; N86-S88 PolarHBondContact OD1-N 3Å; N86-S88 PolarHBondContact OD1-OG 2.98Å; N86-V89 HydrophobicContact CB-CG2 4.22Å; N86-V89 PolarHBondContact O-N 2.8Å; N86-V89 VanDerWaalsContact O-N 3.13Å; N86-A105 HydrophobicContact CB-CB 4.37Å; N86-A105 PolarHBondContact N-O 3.26Å; N86-E129 PolarHBondContact ND2-OE1 2.85Å
87	Q	91.4	Very high	93.7	Very high	36 Å²	36	25.5 Å²	25.5	17%	0.168	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.3	-178.8	67	-166.2	4.5	0	0	114.2	F85 V89 N376 S424 A426 D446	F85-Q87 HydrophobicContact CE2-CB 4.18Å; F85-Q87 PolarHBondContact O-N 3.44Å; Q87-V89 VanDerWaalsContact C-N 3.34Å; Q87-N376 VanDerWaalsContact O-CG 3.27Å; Q87-N376 PolarHBondContact O-ND2 3.09Å; Q87-S424 PolarHBondContact OE1-O 3.44Å; Q87-A426 VanDerWaalsContact OE1-CB 3.29Å; Q87-A426 VanDerWaalsContact OE1-N 3.14Å; Q87-D446 PolarHBondContact NE2-O 3.04Å
88	S	91.2	Very high	93	Very high	70 Å²	70	33.7 Å²	33.7	49%	0.49	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-18.2	174	74.1	0	0	0	0	112.8	N86	N86-S88 PolarHBondContact O-N 3.12Å; N86-S88 PolarHBondContact OD1-N 3Å; N86-S88 PolarHBondContact OD1-OG 2.98Å
89	V	94.9	Very high	92.6	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.03	19%	0.187	C	C	.	.	S	Bend	trans	-97.4	124.5	-179.3	-176.4	0	0	0	0	109.4	N86 Q87 L91 A105 V130 I133	N86-V89 HydrophobicContact CB-CG2 4.22Å; N86-V89 PolarHBondContact O-N 2.8Å; N86-V89 VanDerWaalsContact O-N 3.13Å; Q87-V89 VanDerWaalsContact C-N 3.34Å; V89-L91 PolarHBondContact O-N 2.87Å; V89-A105 HydrophobicContact CB-CB 4.3Å; V89-A105 HydrophobicContact CG1-CB 4.22Å; V89-A105 HydrophobicContact CG2-CB 4.41Å; V89-V130 WeakPolarHBondContact CG2-O 3.46Å; V89-I133 HydrophobicContact CG1-CD1 4.27Å; V89-I133 HydrophobicContact CG1-CG1 3.88Å; V89-I133 HydrophobicContact CG1-CG2 4.32Å
90	P	94.1	Very high	92.3	Very high	42 Å²	42	35.2 Å²	35.2	27%	0.273	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-58.6	137	174.6	-25	35	0	0	0	111.7	I133 C377	P90-I133 WeakPolarHBondContact O-CD1 3.41Å; P90-I133 VanDerWaalsContact O-CG1 3.26Å; P90-I133 WeakPolarHBondContact O-CG1 3.32Å; P90-C377 HydrophobicContact CB-CB 3.96Å
91	L	96.6	Very high	92.3	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-85.5	163.6	174.4	63.5	74.5	0	0	0	112	V89 V102 F103 C377 I420 M428	V89-L91 PolarHBondContact O-N 2.87Å; L91-V102 HydrophobicContact CB-CG1 4.2Å; L91-V102 HydrophobicContact CD1-CG1 4.09Å; L91-V102 HydrophobicContact CD2-CG1 4.13Å; L91-V102 HydrophobicContact CG-CG1 4.38Å; L91-F103 WeakPolarHBondContact CA-O 3.35Å; L91-C377 PolarHBondContact O-SG 3.3Å; L91-C377 VanDerWaalsContact O-SG 3.36Å; L91-I420 HydrophobicContact CD1-CB 4.15Å; L91-I420 HydrophobicContact CD1-CG2 3.84Å; L91-I420 HydrophobicContact CD2-CG2 3.93Å; L91-M428 HydrophobicContact CD2-CE 3.72Å; L91-M428 HydrophobicContact CD2-CG 4.03Å; L91-M428 HydrophobicContact CD2-SD 4.21Å
92	I	96.3	Very high	92.2	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.108	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.6	177	-63	157	0	0	0	109.2	L94 F103 I133 C135 S379	I92-L94 HydrophobicContact CG2-CD2 3.63Å; I92-L94 HydrophobicContact CG2-CG 4.03Å; I92-L94 PolarHBondContact O-N 3.27Å; I92-F103 HydrophobicContact CB-CB 4.29Å; I92-F103 HydrophobicContact CB-CD1 4.49Å; I92-F103 HydrophobicContact CD1-CD1 3.92Å; I92-F103 HydrophobicContact CD1-CE1 4.5Å; I92-F103 PolarHBondContact N-O 3.49Å; I92-F103 PolarHBondContact O-N 3.21Å; I92-I133 HydrophobicContact CD1-CB 4.32Å; I92-I133 HydrophobicContact CD1-CD1 4.03Å; I92-I133 HydrophobicContact CD1-CG1 3.86Å; I92-I133 HydrophobicContact CG1-CD1 4.4Å; I92-I133 HydrophobicContact CG1-CG1 4.48Å; I92-C135 HydrophobicContact CD1-CB 3.99Å; I92-C135 HydrophobicContact CG2-CB 4.02Å; I92-S379 WeakPolarHBondContact CA-OG 3.05Å
93	N	95.9	Very high	92.3	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.4	172.5	-175.8	1	0	0	0	109	S95 K139 S379 A381 I420	N93-S95 WeakPolarHBondContact OD1-CB 3.47Å; N93-S95 PolarHBondContact OD1-N 2.96Å; N93-S95 PolarHBondContact OD1-OG 3.42Å; N93-K139 WeakPolarHBondContact O-CE 3.48Å; N93-K139 PolarHBondContact O-NZ 3.01Å; N93-S379 VanDerWaalsContact CB-O 3.24Å; N93-S379 WeakPolarHBondContact CB-O 3.44Å; N93-S379 PolarHBondContact N-OG 3.16Å; N93-S379 PolarHBondContact ND2-O 3.16Å; N93-A381 PolarHBondContact ND2-N 2.97Å; N93-I420 HydrophobicContact CB-CD1 4.23Å; N93-I420 HydrophobicContact CB-CG1 4.43Å
94	L	94.2	Very high	92.4	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.052	19%	0.186	C	C	.	.			trans	-100.3	9.7	179.7	-61.9	172.5	0	0	0	112.1	I92 I101 F103 L112 K139 L142 I158	I92-L94 HydrophobicContact CG2-CD2 3.63Å; I92-L94 HydrophobicContact CG2-CG 4.03Å; I92-L94 PolarHBondContact O-N 3.27Å; L94-I101 CarbonylContact C-O 3.56Å; L94-I101 WeakPolarHBondContact CA-O 3.37Å; L94-I101 HydrophobicContact CB-CB 4.24Å; L94-I101 HydrophobicContact CB-CG2 4.23Å; L94-I101 HydrophobicContact CD1-CG2 4.38Å; L94-I101 PolarHBondContact N-O 3.4Å; L94-F103 HydrophobicContact CD1-CB 3.53Å; L94-F103 HydrophobicContact CD1-CG 4.38Å; L94-F103 HydrophobicContact CG-CB 4.22Å; L94-L112 HydrophobicContact CD1-CD2 3.6Å; L94-K139 HydrophobicContact CD2-CB 4.16Å; L94-K139 HydrophobicContact CD2-CD 4.01Å; L94-K139 HydrophobicContact CD2-CG 4.19Å; L94-L142 HydrophobicContact CD1-CD1 4.26Å; L94-L142 HydrophobicContact CD1-CD2 4.28Å; L94-L142 HydrophobicContact CD2-CD2 4.23Å; L94-I158 HydrophobicContact CD1-CD1 3.7Å; L94-I158 HydrophobicContact CD2-CD1 4.44Å; L94-I158 HydrophobicContact CG-CD1 4.45Å
95	S	92.4	Very high	92.6	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.063	19%	0.186	C	C	.	.			trans	-62.9	140.2	-178.8	-51.6	0	0	0	0	112	N93 S99 N100 I101 T382	N93-S95 WeakPolarHBondContact OD1-CB 3.47Å; N93-S95 PolarHBondContact OD1-N 2.96Å; N93-S95 PolarHBondContact OD1-OG 3.42Å; S95-S99 CarbonylContact C-O 3.53Å; S95-S99 WeakPolarHBondContact CA-O 3.47Å; S95-S99 WeakPolarHBondContact CB-O 3.42Å; S95-N100 WeakPolarHBondContact OG-CA 3.44Å; S95-N100 PolarHBondContact OG-OD1 3.13Å; S95-I101 PolarHBondContact N-O 2.94Å; S95-I101 PolarHBondContact OG-N 2.87Å; S95-T382 PolarHBondContact O-N 3.36Å
96	D	87.5	Confident	92.7	Very high	69 Å²	69	33.9 Å²	33.9	37%	0.369	19%	0.185	S	C	.	.			trans	-132.2	-169	174.5	65.3	11.9	0	0	0	109.4	Q98 S99	D96-Q98 PolarHBondContact O-N 3.42Å; D96-Q98 VanDerWaalsContact O-N 3.15Å; D96-Q98 PolarHBondContact OD1-N 2.89Å; D96-S99 VanDerWaalsContact CG-OG 3.3Å; D96-S99 PolarHBondContact N-O 2.93Å; D96-S99 WeakPolarHBondContact OD1-CA 3.41Å; D96-S99 WeakPolarHBondContact OD1-CB 3.4Å; D96-S99 PolarHBondContact OD1-N 3.29Å; D96-S99 PolarHBondContact OD1-OG 2.94Å
97	D	80	Confident	92.7	Very high	120 Å²	120	33.4 Å²	33.4	64%	0.642	18%	0.182	S	C	*	.	S	Bend	trans	-62.1	-21.3	-179.7	-64.8	-35.2	0	0	0	113.9	T383	D97-T383 WeakPolarHBondContact OD1-CA 3.13Å; D97-T383 WeakPolarHBondContact OD1-CB 3.32Å
98	Q	80.9	Confident	92.9	Very high	180 Å²	180	32.3 Å²	32.3	84%	0.841	18%	0.177	S	C	*	.	S	Bend	trans	-109.5	-27.2	-170.4	-60.2	-173.7	4.5	0	0	112.7	D96	D96-Q98 PolarHBondContact O-N 3.42Å; D96-Q98 VanDerWaalsContact O-N 3.15Å; D96-Q98 PolarHBondContact OD1-N 2.89Å
99	S	87.2	Confident	93.2	Very high	32 Å²	32	29.1 Å²	29.1	22%	0.224	15%	0.154	C	C	.	.			trans	-135.1	143.1	-167.4	71.3	0	0	0	0	111.5	S95 D96	S95-S99 CarbonylContact C-O 3.53Å; S95-S99 WeakPolarHBondContact CA-O 3.47Å; S95-S99 WeakPolarHBondContact CB-O 3.42Å; D96-S99 VanDerWaalsContact CG-OG 3.3Å; D96-S99 PolarHBondContact N-O 2.93Å; D96-S99 WeakPolarHBondContact OD1-CA 3.41Å; D96-S99 WeakPolarHBondContact OD1-CB 3.4Å; D96-S99 PolarHBondContact OD1-N 3.29Å; D96-S99 PolarHBondContact OD1-OG 2.94Å
100	N	90.8	Very high	93.4	Very high	49 Å²	49	28.9 Å²	28.9	26%	0.262	15%	0.153	S	C	.	.			trans	-117.3	78.7	177.7	-168.6	-8.1	0	0	0	108.5	S95 I115 K116	S95-N100 WeakPolarHBondContact OG-CA 3.44Å; S95-N100 PolarHBondContact OG-OD1 3.13Å; N100-I115 HydrophobicContact CB-CB 4.49Å; N100-I115 PolarHBondContact O-N 3.03Å; N100-K116 HydrophobicContact CB-CB 4.45Å
101	I	94.5	Very high	93.6	Very high	42 Å²	42	26.9 Å²	26.9	22%	0.215	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.3	-169.3	-60.9	174.4	0	0	0	110.2	L94 S95 L112 F113 D114	L94-I101 CarbonylContact C-O 3.56Å; L94-I101 WeakPolarHBondContact CA-O 3.37Å; L94-I101 HydrophobicContact CB-CB 4.24Å; L94-I101 HydrophobicContact CB-CG2 4.23Å; L94-I101 HydrophobicContact CD1-CG2 4.38Å; L94-I101 PolarHBondContact N-O 3.4Å; S95-I101 PolarHBondContact N-O 2.94Å; S95-I101 PolarHBondContact OG-N 2.87Å; I101-L112 HydrophobicContact CG2-CB 4.36Å; I101-L112 HydrophobicContact CG2-CD2 4.17Å; I101-F113 CarbonylContact C-O 3.5Å; I101-F113 VanDerWaalsContact CA-O 3.3Å; I101-F113 WeakPolarHBondContact CA-O 3.45Å; I101-D114 HydrophobicContact CG1-CB 4.48Å
102	V	96.2	Very high	93.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.2	172.6	-171.5	0	0	0	0	109.8	L91 Y104 L112 F113 I115 I420 M428	L91-V102 HydrophobicContact CB-CG1 4.2Å; L91-V102 HydrophobicContact CD1-CG1 4.09Å; L91-V102 HydrophobicContact CD2-CG1 4.13Å; L91-V102 HydrophobicContact CG-CG1 4.38Å; V102-Y104 HydrophobicContact CG1-CD1 4.22Å; V102-L112 CarbonylContact O-C 3.59Å; V102-L112 WeakPolarHBondContact O-CA 3.45Å; V102-F113 PolarHBondContact N-O 3.1Å; V102-F113 PolarHBondContact O-N 3.3Å; V102-I115 HydrophobicContact CG2-CD1 3.41Å; V102-I115 VanDerWaalsContact CG2-CD1 3.41Å; V102-I115 HydrophobicContact CG2-CG1 4.07Å; V102-I420 HydrophobicContact CB-CD1 4.45Å; V102-I420 HydrophobicContact CG2-CD1 3.18Å; V102-M428 HydrophobicContact CG1-CE 4.37Å; V102-M428 HydrophobicContact CG1-SD 4.31Å; V102-M428 HydrophobicContact CG2-SD 4.46Å
103	F	97.4	Very high	93.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126	172.9	-178.4	-122.2	0	0	0	111	L91 I92 L94 L110 V111 L112 L123 I133 L142	L91-F103 WeakPolarHBondContact CA-O 3.35Å; I92-F103 HydrophobicContact CB-CB 4.29Å; I92-F103 HydrophobicContact CB-CD1 4.49Å; I92-F103 HydrophobicContact CD1-CD1 3.92Å; I92-F103 HydrophobicContact CD1-CE1 4.5Å; I92-F103 PolarHBondContact N-O 3.49Å; I92-F103 PolarHBondContact O-N 3.21Å; L94-F103 HydrophobicContact CD1-CB 3.53Å; L94-F103 HydrophobicContact CD1-CG 4.38Å; L94-F103 HydrophobicContact CG-CB 4.22Å; F103-L110 HydrophobicContact CE2-CB 3.78Å; F103-L110 HydrophobicContact CE2-CD2 4.26Å; F103-L110 HydrophobicContact CE2-CG 4.44Å; F103-L110 HydrophobicContact CZ-CB 4.06Å; F103-L110 HydrophobicContact CZ-CD1 4.13Å; F103-L110 HydrophobicContact CZ-CD2 3.81Å; F103-L110 HydrophobicContact CZ-CG 4.22Å; F103-V111 VanDerWaalsContact CA-O 3.29Å; F103-V111 WeakPolarHBondContact CA-O 3.28Å; F103-V111 WeakPolarHBondContact CD2-O 3.5Å; F103-L112 HydrophobicContact CB-CD2 3.97Å; F103-L112 HydrophobicContact CD2-CD2 3.63Å; F103-L112 HydrophobicContact CD2-CG 4.07Å; F103-L112 HydrophobicContact CE2-CD2 4.46Å; F103-L112 HydrophobicContact CG-CD2 4.13Å; F103-L123 HydrophobicContact CE2-CD1 3.95Å; F103-I133 HydrophobicContact CD1-CB 4.48Å; F103-I133 HydrophobicContact CD1-CD1 3.8Å; F103-I133 HydrophobicContact CE1-CB 3.92Å; F103-I133 HydrophobicContact CE1-CD1 3.98Å; F103-I133 HydrophobicContact CE1-CG1 4.47Å; F103-I133 HydrophobicContact CE1-CG2 4.1Å; F103-L142 HydrophobicContact CD1-CD1 4Å; F103-L142 HydrophobicContact CD1-CD2 3.81Å; F103-L142 HydrophobicContact CD1-CG 4.37Å; F103-L142 HydrophobicContact CD2-CD1 4.01Å; F103-L142 HydrophobicContact CE1-CB 4.05Å; F103-L142 HydrophobicContact CE1-CD1 4Å; F103-L142 HydrophobicContact CE1-CD2 4.06Å; F103-L142 HydrophobicContact CE1-CG 4.26Å; F103-L142 HydrophobicContact CE2-CD1 3.99Å; F103-L142 HydrophobicContact CG-CD1 4Å; F103-L142 HydrophobicContact CG-CD2 4.41Å; F103-L142 HydrophobicContact CZ-CB 4.28Å; F103-L142 HydrophobicContact CZ-CD1 3.99Å
104	Y	97.5	Very high	93.6	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.02	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	163.2	179.7	62.7	-97.1	0	0	0	111.8	T82 F85 V102 V111 F113 Q120 M428	T82-Y104 HydrophobicContact CG2-CE2 4.38Å; F85-Y104 HydrophobicContact CB-CD2 3.34Å; F85-Y104 HydrophobicContact CB-CE2 3.58Å; F85-Y104 HydrophobicContact CB-CG 4.09Å; F85-Y104 HydrophobicContact CG-CD2 4.46Å; V102-Y104 HydrophobicContact CG1-CD1 4.22Å; Y104-V111 HydrophobicContact CD1-CB 4.41Å; Y104-V111 HydrophobicContact CD2-CB 4.05Å; Y104-V111 HydrophobicContact CD2-CG2 4.21Å; Y104-V111 HydrophobicContact CE1-CB 4.05Å; Y104-V111 HydrophobicContact CE1-CG1 3.99Å; Y104-V111 HydrophobicContact CE2-CB 3.66Å; Y104-V111 HydrophobicContact CE2-CG1 4.13Å; Y104-V111 HydrophobicContact CE2-CG2 3.66Å; Y104-V111 HydrophobicContact CG-CB 4.43Å; Y104-V111 PolarHBondContact N-O 3.11Å; Y104-V111 VanDerWaalsContact N-O 3.08Å; Y104-V111 PolarHBondContact O-N 3.37Å; Y104-F113 HydrophobicContact CE1-CB 3.64Å; Y104-F113 HydrophobicContact CE1-CD1 4.45Å; Y104-F113 HydrophobicContact CE1-CG 4.31Å; Y104-Q120 PolarHBondContact OH-NE2 2.82Å; Y104-M428 HydrophobicContact CD1-CE 4.17Å; Y104-M428 HydrophobicContact CE1-CE 4.38Å
105	A	97.5	Very high	93.5	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	147.9	174.5	0	0	0	0	0	111.5	F85 N86 V89 L110 V130	F85-A105 CarbonylContact C-O 3.52Å; N86-A105 HydrophobicContact CB-CB 4.37Å; N86-A105 PolarHBondContact N-O 3.26Å; V89-A105 HydrophobicContact CB-CB 4.3Å; V89-A105 HydrophobicContact CG1-CB 4.22Å; V89-A105 HydrophobicContact CG2-CB 4.41Å; A105-L110 HydrophobicContact CB-CD2 4.11Å; A105-V130 HydrophobicContact CB-CB 3.95Å; A105-V130 HydrophobicContact CB-CG1 3.86Å
106	S	96.2	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	95.8	174.3	175.9	0	0	0	0	108	T82 H108 L109 C761 H763	T82-S106 WeakPolarHBondContact CB-OG 3.49Å; T82-S106 PolarHBondContact OG1-OG 3.22Å; S106-H108 PolarHBondContact O-N 3.4Å; S106-H108 VanDerWaalsContact O-N 3.15Å; S106-L109 PolarHBondContact N-O 3.44Å; S106-L109 WeakPolarHBondContact O-CB 3.47Å; S106-L109 PolarHBondContact O-N 3.36Å; S106-C761 PolarHBondContact OG-SG 3.31Å; S106-H763 PolarHBondContact OG-NE2 3.44Å; S106-H763 VanDerWaalsContact OG-NE2 3.08Å
107	A	94.9	Very high	93.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-113.6	-166.4	0	0	0	0	0	112	V130 D759	A107-V130 PolarHBondContact O-N 2.88Å; A107-D759 HydrophobicContact CB-CB 4.21Å; A107-D759 VanDerWaalsContact CB-OD2 3.27Å; A107-D759 WeakPolarHBondContact CB-OD2 3.44Å
108	H	95.9	Very high	94.4	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.056	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.7	175.2	65.5	-62.7	0	0	0	114	S106 H126 N128 I728 A729 P731	S106-H108 PolarHBondContact O-N 3.4Å; S106-H108 VanDerWaalsContact O-N 3.15Å; H108-H126 HydrophobicContact CB-CB 4.43Å; H108-H126 PolarHBondContact CD2-O 3.27Å; H108-H126 VanDerWaalsContact CD2-O 3.3Å; H108-N128 WeakPolarHBondContact CA-O 3.44Å; H108-N128 WeakPolarHBondContact CB-O 3.34Å; H108-I728 PolarHBondContact CE1-O 3.19Å; H108-I728 PolarHBondContact NE2-O 2.96Å; H108-A729 PolarHBondContact CE1-O 3.32Å; H108-A729 VanDerWaalsContact CE1-O 3.3Å; H108-P731 HydrophobicContact CB-CG 3.55Å; H108-P731 WeakPolarHBondContact ND1-CD 3.42Å
109	L	97.4	Very high	95.1	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	154.1	-179.9	-59.9	178.2	0	0	0	110.3	P79 S106 I122 R124	P79-L109 HydrophobicContact CB-CD1 4.16Å; S106-L109 PolarHBondContact N-O 3.44Å; S106-L109 WeakPolarHBondContact O-CB 3.47Å; S106-L109 PolarHBondContact O-N 3.36Å; L109-I122 HydrophobicContact CB-CG2 4.16Å; L109-I122 HydrophobicContact CD1-CG2 4.12Å; L109-I122 HydrophobicContact CD2-CG2 4.08Å; L109-I122 HydrophobicContact CG-CG2 4.36Å; L109-R124 HydrophobicContact CD2-CG 4.1Å
110	L	98.1	Very high	95.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.8	173	-66.8	163.9	0	0	0	108.8	F103 A105 I122 L123 V130 I133 S144 W156	F103-L110 HydrophobicContact CE2-CB 3.78Å; F103-L110 HydrophobicContact CE2-CD2 4.26Å; F103-L110 HydrophobicContact CE2-CG 4.44Å; F103-L110 HydrophobicContact CZ-CB 4.06Å; F103-L110 HydrophobicContact CZ-CD1 4.13Å; F103-L110 HydrophobicContact CZ-CD2 3.81Å; F103-L110 HydrophobicContact CZ-CG 4.22Å; A105-L110 HydrophobicContact CB-CD2 4.11Å; L110-I122 CarbonylContact O-C 3.6Å; L110-I122 WeakPolarHBondContact O-CA 3.25Å; L110-L123 HydrophobicContact CB-CB 4.07Å; L110-L123 HydrophobicContact CB-CD1 4.5Å; L110-L123 HydrophobicContact CB-CG 4.46Å; L110-L123 PolarHBondContact N-O 3.39Å; L110-L123 PolarHBondContact O-N 3.29Å; L110-V130 HydrophobicContact CD2-CG1 4.03Å; L110-V130 HydrophobicContact CD2-CG2 4.19Å; L110-V130 HydrophobicContact CG-CG2 4.37Å; L110-I133 HydrophobicContact CD2-CG2 3.61Å; L110-S144 VanDerWaalsContact CD1-OG 3.28Å; L110-S144 WeakPolarHBondContact CD1-OG 3.47Å; L110-W156 HydrophobicContact CD1-CZ2 3.62Å
111	V	97.8	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.8	-170.8	-172.2	0	0	0	0	110.3	T82 F103 Y104 F113 Q120	T82-V111 HydrophobicContact CG2-CG2 3.41Å; T82-V111 VanDerWaalsContact CG2-CG2 3.41Å; F103-V111 VanDerWaalsContact CA-O 3.29Å; F103-V111 WeakPolarHBondContact CA-O 3.28Å; F103-V111 WeakPolarHBondContact CD2-O 3.5Å; Y104-V111 HydrophobicContact CD1-CB 4.41Å; Y104-V111 HydrophobicContact CD2-CB 4.05Å; Y104-V111 HydrophobicContact CD2-CG2 4.21Å; Y104-V111 HydrophobicContact CE1-CB 4.05Å; Y104-V111 HydrophobicContact CE1-CG1 3.99Å; Y104-V111 HydrophobicContact CE2-CB 3.66Å; Y104-V111 HydrophobicContact CE2-CG1 4.13Å; Y104-V111 HydrophobicContact CE2-CG2 3.66Å; Y104-V111 HydrophobicContact CG-CB 4.43Å; Y104-V111 PolarHBondContact N-O 3.11Å; Y104-V111 VanDerWaalsContact N-O 3.08Å; Y104-V111 PolarHBondContact O-N 3.37Å; V111-F113 HydrophobicContact CG1-CB 4.26Å; V111-Q120 HydrophobicContact CG1-CB 3.92Å; V111-Q120 HydrophobicContact CG1-CG 3.66Å
112	L	96.8	Very high	95.8	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.084	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.6	160.5	-66.9	167.8	0	0	0	107.9	L94 I101 V102 F103 Q120 K121 L123 L142	L94-L112 HydrophobicContact CD1-CD2 3.6Å; I101-L112 HydrophobicContact CG2-CB 4.36Å; I101-L112 HydrophobicContact CG2-CD2 4.17Å; V102-L112 CarbonylContact O-C 3.59Å; V102-L112 WeakPolarHBondContact O-CA 3.45Å; F103-L112 HydrophobicContact CB-CD2 3.97Å; F103-L112 HydrophobicContact CD2-CD2 3.63Å; F103-L112 HydrophobicContact CD2-CG 4.07Å; F103-L112 HydrophobicContact CE2-CD2 4.46Å; F103-L112 HydrophobicContact CG-CD2 4.13Å; L112-Q120 CarbonylContact O-C 3.58Å; L112-Q120 WeakPolarHBondContact O-CA 3.42Å; L112-K121 HydrophobicContact CB-CB 4.23Å; L112-K121 HydrophobicContact CD1-CD 4.37Å; L112-K121 PolarHBondContact N-O 2.96Å; L112-K121 PolarHBondContact O-N 3.46Å; L112-L123 HydrophobicContact CD1-CD1 4.38Å; L112-L123 HydrophobicContact CD1-CD2 4.25Å; L112-L142 HydrophobicContact CD2-CD1 4.04Å
113	F	96.6	Very high	95.8	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.9	-176.9	179.8	-130.5	0	0	0	111.1	W81 I101 V102 Y104 V111 I115 N118 R119 Q120 V441 L442	W81-F113 HydrophobicContact CH2-CE2 4.05Å; W81-F113 HydrophobicContact CZ2-CE2 4.26Å; I101-F113 CarbonylContact C-O 3.5Å; I101-F113 VanDerWaalsContact CA-O 3.3Å; I101-F113 WeakPolarHBondContact CA-O 3.45Å; V102-F113 PolarHBondContact N-O 3.1Å; V102-F113 PolarHBondContact O-N 3.3Å; Y104-F113 HydrophobicContact CE1-CB 3.64Å; Y104-F113 HydrophobicContact CE1-CD1 4.45Å; Y104-F113 HydrophobicContact CE1-CG 4.31Å; V111-F113 HydrophobicContact CG1-CB 4.26Å; F113-I115 HydrophobicContact CD1-CG1 3.8Å; F113-I115 HydrophobicContact CE1-CB 4.49Å; F113-I115 HydrophobicContact CE1-CG1 3.79Å; F113-I115 PolarHBondContact O-N 2.92Å; F113-N118 WeakPolarHBondContact CE2-OD1 3.29Å; F113-R119 WeakPolarHBondContact CD2-O 3.45Å; F113-Q120 HydrophobicContact CB-CG 4.45Å; F113-Q120 HydrophobicContact CD2-CG 3.63Å; F113-Q120 HydrophobicContact CE2-CG 4.34Å; F113-Q120 HydrophobicContact CG-CG 4.42Å; F113-V441 HydrophobicContact CE1-CG1 3.87Å; F113-L442 HydrophobicContact CE1-CD1 4.36Å
114	D	95.2	Very high	95.6	Very high	33 Å²	33	39.5 Å²	39.5	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	103.7	169	-179.1	-18.9	0	0	0	109.1	I101 K116 N117 N118 R119	I101-D114 HydrophobicContact CG1-CB 4.48Å; D114-K116 VanDerWaalsContact C-N 3.29Å; D114-K116 PolarHBondContact O-N 3.17Å; D114-K116 PolarHBondContact OD1-N 3.34Å; D114-N117 PolarHBondContact OD1-N 2.98Å; D114-N117 WeakPolarHBondContact OD2-CB 3.37Å; D114-N117 PolarHBondContact OD2-ND2 2.78Å; D114-N118 WeakPolarHBondContact O-CA 3.38Å; D114-N118 PolarHBondContact O-N 2.78Å; D114-R119 HydrophobicContact CB-CB 4.41Å; D114-R119 PolarHBondContact N-O 3.09Å; D114-R119 PolarHBondContact O-N 3.27Å
115	I	93.2	Very high	95.4	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.097	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.6	-177.6	-65.7	172.8	0	0	0	111	N100 V102 F113 I420 V441	N100-I115 HydrophobicContact CB-CB 4.49Å; N100-I115 PolarHBondContact O-N 3.03Å; V102-I115 HydrophobicContact CG2-CD1 3.41Å; V102-I115 VanDerWaalsContact CG2-CD1 3.41Å; V102-I115 HydrophobicContact CG2-CG1 4.07Å; F113-I115 HydrophobicContact CD1-CG1 3.8Å; F113-I115 HydrophobicContact CE1-CB 4.49Å; F113-I115 HydrophobicContact CE1-CG1 3.79Å; F113-I115 PolarHBondContact O-N 2.92Å; I115-I420 HydrophobicContact CD1-CD1 3.98Å; I115-V441 HydrophobicContact CD1-CG1 3.9Å; I115-V441 HydrophobicContact CD1-CG2 4.17Å; I115-V441 HydrophobicContact CG1-CG1 3.86Å; I115-V441 HydrophobicContact CG2-CG1 3.98Å
116	K	91.1	Very high	95.3	Very high	163 Å²	163	41.7 Å²	41.7	71%	0.709	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-42.1	-173.6	-176.7	179.1	177.5	-179.7	0	111	N100 D114	N100-K116 HydrophobicContact CB-CB 4.45Å; D114-K116 VanDerWaalsContact C-N 3.29Å; D114-K116 PolarHBondContact O-N 3.17Å; D114-K116 PolarHBondContact OD1-N 3.34Å
117	N	92.7	Very high	95.1	Very high	94 Å²	94	44.4 Å²	44.4	50%	0.503	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.1	-176.5	-62.8	-53.9	0	0	0	113.8	D114 R119	D114-N117 PolarHBondContact OD1-N 2.98Å; D114-N117 WeakPolarHBondContact OD2-CB 3.37Å; D114-N117 PolarHBondContact OD2-ND2 2.78Å; N117-R119 HydrophobicContact CB-CG 4.28Å; N117-R119 PolarHBondContact O-N 3.43Å
118	N	94.1	Very high	95.2	Very high	45 Å²	45	44.3 Å²	44.3	24%	0.241	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	52.9	-173.7	-163.6	31.3	0	0	0	112.3	W81 F113 D114 S477 K478	W81-N118 WeakPolarHBondContact CH2-O 3.36Å; F113-N118 WeakPolarHBondContact CE2-OD1 3.29Å; D114-N118 WeakPolarHBondContact O-CA 3.38Å; D114-N118 PolarHBondContact O-N 2.78Å; N118-S477 PolarHBondContact ND2-O 3.26Å; N118-K478 PolarHBondContact ND2-O 2.94Å
119	R	95.3	Very high	95.2	Very high	177 Å²	177	44.1 Å²	44.1	67%	0.668	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.8	-178.5	-71.4	179.6	179.6	-179.1	-1.5	110.8	F113 D114 N117	F113-R119 WeakPolarHBondContact CD2-O 3.45Å; D114-R119 HydrophobicContact CB-CB 4.41Å; D114-R119 PolarHBondContact N-O 3.09Å; D114-R119 PolarHBondContact O-N 3.27Å; N117-R119 HydrophobicContact CB-CG 4.28Å; N117-R119 PolarHBondContact O-N 3.43Å
120	Q	95.9	Very high	95.2	Very high	33 Å²	33	44 Å²	44	15%	0.154	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.5	173.1	-71.5	178.9	5	0	0	109.8	W81 T82 Y104 V111 L112 F113	W81-Q120 HydrophobicContact CD2-CB 4.43Å; W81-Q120 VanDerWaalsContact CD2-CD 3.45Å; W81-Q120 HydrophobicContact CD2-CG 4.08Å; W81-Q120 HydrophobicContact CE3-CB 3.8Å; W81-Q120 HydrophobicContact CE3-CG 3.81Å; W81-Q120 HydrophobicContact CH2-CB 4.27Å; W81-Q120 HydrophobicContact CH2-CG 3.61Å; W81-Q120 HydrophobicContact CZ2-CG 3.85Å; W81-Q120 VanDerWaalsContact CZ2-NE2 3.29Å; W81-Q120 HydrophobicContact CZ3-CB 3.73Å; W81-Q120 HydrophobicContact CZ3-CG 3.58Å; T82-Q120 PolarHBondContact O-NE2 2.99Å; Y104-Q120 PolarHBondContact OH-NE2 2.82Å; V111-Q120 HydrophobicContact CG1-CB 3.92Å; V111-Q120 HydrophobicContact CG1-CG 3.66Å; L112-Q120 CarbonylContact O-C 3.58Å; L112-Q120 WeakPolarHBondContact O-CA 3.42Å; F113-Q120 HydrophobicContact CB-CG 4.45Å; F113-Q120 HydrophobicContact CD2-CG 3.63Å; F113-Q120 HydrophobicContact CE2-CG 4.34Å; F113-Q120 HydrophobicContact CG-CG 4.42Å
121	K	95.8	Very high	95.1	Very high	91 Å²	91	46.9 Å²	46.9	40%	0.396	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.5	161.7	179.9	177.6	-177.5	179	0	107.7	L112 L123 T160	L112-K121 HydrophobicContact CB-CB 4.23Å; L112-K121 HydrophobicContact CD1-CD 4.37Å; L112-K121 PolarHBondContact N-O 2.96Å; L112-K121 PolarHBondContact O-N 3.46Å; K121-L123 HydrophobicContact CG-CD2 4.3Å; K121-T160 PolarHBondContact NZ-O 2.84Å
122	I	96.5	Very high	95.1	Very high	30 Å²	30	47.4 Å²	47.4	15%	0.154	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.7	-176.5	-59.2	176.7	0	0	0	108.8	P79 L109 L110 R124	P79-I122 HydrophobicContact CB-CD1 3.97Å; P79-I122 HydrophobicContact CB-CG2 4.38Å; P79-I122 HydrophobicContact CG-CG2 4.17Å; L109-I122 HydrophobicContact CB-CG2 4.16Å; L109-I122 HydrophobicContact CD1-CG2 4.12Å; L109-I122 HydrophobicContact CD2-CG2 4.08Å; L109-I122 HydrophobicContact CG-CG2 4.36Å; L110-I122 CarbonylContact O-C 3.6Å; L110-I122 WeakPolarHBondContact O-CA 3.25Å; I122-R124 HydrophobicContact CG2-CG 4.22Å
123	L	96.6	Very high	95.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.7	172.8	-39.3	178.8	0	0	0	108.8	F103 L110 L112 K121 W156 G161	F103-L123 HydrophobicContact CE2-CD1 3.95Å; L110-L123 HydrophobicContact CB-CB 4.07Å; L110-L123 HydrophobicContact CB-CD1 4.5Å; L110-L123 HydrophobicContact CB-CG 4.46Å; L110-L123 PolarHBondContact N-O 3.39Å; L110-L123 PolarHBondContact O-N 3.29Å; L112-L123 HydrophobicContact CD1-CD1 4.38Å; L112-L123 HydrophobicContact CD1-CD2 4.25Å; K121-L123 HydrophobicContact CG-CD2 4.3Å; L123-W156 HydrophobicContact CB-CD2 4.39Å; L123-W156 HydrophobicContact CB-CE3 3.98Å; L123-W156 HydrophobicContact CB-CH2 4.24Å; L123-W156 HydrophobicContact CB-CZ3 3.9Å; L123-W156 HydrophobicContact CD1-CB 4.33Å; L123-W156 HydrophobicContact CD1-CD2 4.05Å; L123-W156 HydrophobicContact CD1-CE3 4.16Å; L123-W156 HydrophobicContact CD1-CG 4.13Å; L123-G161 WeakPolarHBondContact CD2-O 3.46Å
124	R	93.7	Very high	95.2	Very high	92 Å²	92	48.2 Å²	48.2	35%	0.347	24%	0.239	S	C	.	.			trans	-122.4	139.7	-173.1	-61.7	165.4	72.9	-171.6	2	109.5	E75 P79 L109 I122 W156	E75-R124 VanDerWaalsContact CD-NH1 3.25Å; E75-R124 IonicContact OE1-CZ 2.66Å; E75-R124 IonicContact OE1-NH1 2.63Å; E75-R124 PolarHBondContact OE1-NH1 2.77Å; E75-R124 IonicContact OE2-CZ 2.86Å; E75-R124 VanDerWaalsContact OE2-CZ 3.27Å; E75-R124 IonicContact OE2-NH1 2.77Å; E75-R124 PolarHBondContact OE2-NH1 2.89Å; E75-R124 IonicContact OE2-NH2 3.93Å; E75-R124 PolarHBondContact OE2-NH2 3.06Å; P79-R124 VanDerWaalsContact CD-CZ 3.48Å; P79-R124 HydrophobicContact CG-CG 4.05Å; L109-R124 HydrophobicContact CD2-CG 4.1Å; I122-R124 HydrophobicContact CG2-CG 4.22Å; R124-W156 VanDerWaalsContact O-CH2 3.25Å; R124-W156 WeakPolarHBondContact O-CH2 3.43Å
125	G	91.9	Very high	95.2	Very high	47 Å²	47	47.9 Å²	47.9	49%	0.485	24%	0.239	S	C	.	.			trans	167.9	-28.9	175.5	0	0	0	0	0	114.1
126	H	95.3	Very high	95.3	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.028	24%	0.236	C	C	.	.			trans	-78.1	139.1	173.1	-69.4	-71	0	0	0	111.2	H108 V130 S144 D146 A152	H108-H126 HydrophobicContact CB-CB 4.43Å; H108-H126 PolarHBondContact CD2-O 3.27Å; H108-H126 VanDerWaalsContact CD2-O 3.3Å; H126-V130 HydrophobicContact CB-CG2 4.24Å; H126-S144 WeakPolarHBondContact NE2-CB 3.35Å; H126-S144 PolarHBondContact NE2-OG 3.33Å; H126-D146 HydrophobicContact CB-CB 4.39Å; H126-D146 WeakPolarHBondContact CB-OD2 3.41Å; H126-D146 IonicContact CE1-OD2 2.77Å; H126-D146 IonicContact CG-OD2 2.93Å; H126-D146 IonicContact ND1-OD1 3.32Å; H126-D146 IonicContact ND1-OD2 3.59Å; H126-D146 PolarHBondContact ND1-OD2 2.72Å; H126-A152 PolarHBondContact CE1-O 2.89Å
127	C	93.4	Very high	95.1	Very high	56 Å²	56	41.9 Å²	41.9	38%	0.378	23%	0.227	S	C	.	.	S	Bend	trans	-97.4	-15.9	171	-62.9	0	0	0	0	111.8	I728	C127-I728 HydrophobicContact CB-CD1 3.73Å
128	N	95.5	Very high	94.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-114.9	164	-176.7	-56.9	-21.2	0	0	0	109.7	H108 V130 D146 R147 D150 R735	H108-N128 WeakPolarHBondContact CA-O 3.44Å; H108-N128 WeakPolarHBondContact CB-O 3.34Å; N128-V130 PolarHBondContact O-N 2.9Å; N128-D146 HydrophobicContact CB-CB 3.95Å; N128-R147 HydrophobicContact CB-CG 4.48Å; N128-R147 WeakPolarHBondContact CB-O 3.42Å; N128-R147 VanDerWaalsContact CG-O 3.27Å; N128-R147 PolarHBondContact ND2-O 2.94Å; N128-D150 PolarHBondContact ND2-OD1 2.96Å; N128-R735 CarbonylContact C-O 3.57Å; N128-R735 WeakPolarHBondContact CA-O 3.47Å; N128-R735 HydrophobicContact CB-CB 4.33Å; N128-R735 WeakPolarHBondContact CB-O 3.4Å; N128-R735 WeakPolarHBondContact OD1-CB 3.33Å; N128-R735 WeakPolarHBondContact OD1-CD 3.32Å; N128-R735 WeakPolarHBondContact OD1-CG 3.22Å; N128-R735 PolarHBondContact OD1-NH1 3.39Å
129	E	95.8	Very high	94.6	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.033	23%	0.227	C	C	.	.			trans	-62	128.1	178.5	179.3	-179.5	-159.3	0	0	110.8	N86 M131 D146 R147 R735 G736 V737	N86-E129 PolarHBondContact ND2-OE1 2.85Å; E129-M131 HydrophobicContact CG-SD 4.5Å; E129-M131 PolarHBondContact O-N 3.45Å; E129-D146 VanDerWaalsContact O-CA 3.3Å; E129-D146 WeakPolarHBondContact O-CA 3.46Å; E129-D146 VanDerWaalsContact O-CB 3.28Å; E129-D146 WeakPolarHBondContact O-CB 3.43Å; E129-R147 HydrophobicContact CB-CG 4.27Å; E129-R147 PolarHBondContact O-N 3.07Å; E129-R147 VanDerWaalsContact O-N 3.15Å; E129-R147 IonicContact OE2-CZ 3.91Å; E129-R147 IonicContact OE2-NE 2.81Å; E129-R147 IonicContact OE2-NH1 2.83Å; E129-R147 PolarHBondContact OE2-NH1 2.96Å; E129-R735 PolarHBondContact N-O 2.9Å; E129-G736 WeakPolarHBondContact OE2-CA 3.34Å; E129-V737 WeakPolarHBondContact OE2-CG1 3.38Å; E129-V737 PolarHBondContact OE2-N 3.23Å
130	V	97.6	Very high	94.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	125.6	178.6	174.8	0	0	0	0	108.8	V89 A105 A107 L110 H126 N128 I133	V89-V130 WeakPolarHBondContact CG2-O 3.46Å; A105-V130 HydrophobicContact CB-CB 3.95Å; A105-V130 HydrophobicContact CB-CG1 3.86Å; A107-V130 PolarHBondContact O-N 2.88Å; L110-V130 HydrophobicContact CD2-CG1 4.03Å; L110-V130 HydrophobicContact CD2-CG2 4.19Å; L110-V130 HydrophobicContact CG-CG2 4.37Å; H126-V130 HydrophobicContact CB-CG2 4.24Å; N128-V130 PolarHBondContact O-N 2.9Å; V130-I133 HydrophobicContact CG1-CG2 3.78Å
131	M	96.5	Very high	94.4	Very high	62 Å²	62	38.3 Å²	38.3	31%	0.305	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-25.6	-178.8	-65.6	-56.1	-59.6	0	0	112.8	E129 G145 R147 V175	E129-M131 HydrophobicContact CG-SD 4.5Å; E129-M131 PolarHBondContact O-N 3.45Å; M131-G145 PolarHBondContact N-O 2.92Å; M131-R147 HydrophobicContact CG-CB 3.76Å; M131-R147 HydrophobicContact CG-CG 4.31Å; M131-R147 HydrophobicContact SD-CB 4.39Å; M131-R147 HydrophobicContact SD-CG 4.49Å; M131-V175 WeakPolarHBondContact CB-O 3.44Å
132	S	97.4	Very high	94.5	Very high	12 Å²	12	34 Å²	34	8%	0.084	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	141.6	-176.4	-171.3	0	0	0	0	111.5	S144 G145 V178	S132-S144 CarbonylContact O-C 3.55Å; S132-S144 VanDerWaalsContact O-CA 3.27Å; S132-S144 WeakPolarHBondContact O-CA 3.29Å; S132-G145 PolarHBondContact N-O 2.81Å; S132-G145 PolarHBondContact O-N 3.28Å; S132-V178 PolarHBondContact OG-N 2.81Å
133	I	98	Very high	94.5	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.082	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	151.9	170.9	63.9	177.1	0	0	0	110	V89 P90 I92 F103 L110 V130 A143	V89-I133 HydrophobicContact CG1-CD1 4.27Å; V89-I133 HydrophobicContact CG1-CG1 3.88Å; V89-I133 HydrophobicContact CG1-CG2 4.32Å; P90-I133 WeakPolarHBondContact O-CD1 3.41Å; P90-I133 VanDerWaalsContact O-CG1 3.26Å; P90-I133 WeakPolarHBondContact O-CG1 3.32Å; I92-I133 HydrophobicContact CD1-CB 4.32Å; I92-I133 HydrophobicContact CD1-CD1 4.03Å; I92-I133 HydrophobicContact CD1-CG1 3.86Å; I92-I133 HydrophobicContact CG1-CD1 4.4Å; I92-I133 HydrophobicContact CG1-CG1 4.48Å; F103-I133 HydrophobicContact CD1-CB 4.48Å; F103-I133 HydrophobicContact CD1-CD1 3.8Å; F103-I133 HydrophobicContact CE1-CB 3.92Å; F103-I133 HydrophobicContact CE1-CD1 3.98Å; F103-I133 HydrophobicContact CE1-CG1 4.47Å; F103-I133 HydrophobicContact CE1-CG2 4.1Å; L110-I133 HydrophobicContact CD2-CG2 3.61Å; V130-I133 HydrophobicContact CG1-CG2 3.78Å; I133-A143 CarbonylContact C-O 3.6Å; I133-A143 VanDerWaalsContact CA-O 3.27Å; I133-A143 WeakPolarHBondContact CA-O 3.47Å
134	T	97.2	Very high	94.6	Very high	24 Å²	24	32.2 Å²	32.2	15%	0.147	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168.6	179.3	-166.1	0	0	0	0	110.8	L142 A143 V178 L180 L187	T134-L142 WeakPolarHBondContact O-CA 3.24Å; T134-A143 HydrophobicContact CG2-CB 3.74Å; T134-A143 PolarHBondContact N-O 2.9Å; T134-A143 PolarHBondContact O-N 3.21Å; T134-V178 WeakPolarHBondContact CB-O 3.48Å; T134-V178 HydrophobicContact CG2-CB 4.41Å; T134-V178 HydrophobicContact CG2-CG1 3.85Å; T134-L180 HydrophobicContact CG2-CB 3.8Å; T134-L180 PolarHBondContact OG1-N 2.92Å; T134-L187 HydrophobicContact CG2-CD1 4.5Å
135	C	96.1	Very high	94.8	Very high	25 Å²	25	27.9 Å²	27.9	17%	0.169	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.7	-175	-171.1	0	0	0	0	110.9	I92 K139 W141 L142	I92-C135 HydrophobicContact CD1-CB 3.99Å; I92-C135 HydrophobicContact CG2-CB 4.02Å; C135-K139 VanDerWaalsContact SG-CA 3.52Å; C135-W141 CarbonylContact C-O 3.49Å; C135-W141 WeakPolarHBondContact CA-O 3.47Å; C135-L142 HydrophobicContact CB-CD2 3.79Å; C135-L142 VanDerWaalsContact SG-CD2 3.56Å
136	S	94.1	Very high	95.1	Very high	5 Å²	5	25.7 Å²	25.7	4%	0.035	14%	0.144	C	C	.	.			trans	-71.9	163.1	174.3	55.9	0	0	0	0	111.8	D138 K139 R140 W141	S136-D138 VanDerWaalsContact CB-OD1 3.24Å; S136-D138 WeakPolarHBondContact CB-OD1 3.33Å; S136-D138 PolarHBondContact O-N 3.01Å; S136-D138 PolarHBondContact OG-OD1 2.85Å; S136-K139 PolarHBondContact O-N 3.04Å; S136-R140 PolarHBondContact OG-N 3Å; S136-W141 PolarHBondContact N-O 2.76Å; S136-W141 PolarHBondContact OG-N 2.68Å; S136-W141 PolarHBondContact OG-O 2.85Å
137	G	88.1	Confident	95.1	Very high	51 Å²	51	28.1 Å²	28.1	53%	0.526	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29	-179.5	0	0	0	0	0	113.7	K139 K182	G137-K139 VanDerWaalsContact C-N 3.31Å; G137-K182 WeakPolarHBondContact CA-O 3.5Å; G137-K182 PolarHBondContact N-O 3.08Å
138	D	86.2	Confident	95	Very high	106 Å²	106	25.9 Å²	25.9	57%	0.567	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	3.7	174.7	69.5	-14.2	0	0	0	113.6	S136 R140	S136-D138 VanDerWaalsContact CB-OD1 3.24Å; S136-D138 WeakPolarHBondContact CB-OD1 3.33Å; S136-D138 PolarHBondContact O-N 3.01Å; S136-D138 PolarHBondContact OG-OD1 2.85Å; D138-R140 PolarHBondContact O-N 2.89Å; D138-R140 WeakPolarHBondContact OD1-CB 3.41Å; D138-R140 PolarHBondContact OD1-N 2.87Å; D138-R140 VanDerWaalsContact OD1-N 3.13Å; D138-R140 WeakPolarHBondContact OD2-CB 3.5Å
139	K	89.4	Confident	94.8	Very high	40 Å²	40	31.6 Å²	31.6	17%	0.174	17%	0.169	C	C	.	.	S	Bend	trans	55.7	14.5	-175.9	-62.4	-175.5	171.2	-177.7	0	115.9	N93 L94 C135 S136 G137 F380 T382	N93-K139 WeakPolarHBondContact O-CE 3.48Å; N93-K139 PolarHBondContact O-NZ 3.01Å; L94-K139 HydrophobicContact CD2-CB 4.16Å; L94-K139 HydrophobicContact CD2-CD 4.01Å; L94-K139 HydrophobicContact CD2-CG 4.19Å; C135-K139 VanDerWaalsContact SG-CA 3.52Å; S136-K139 PolarHBondContact O-N 3.04Å; G137-K139 VanDerWaalsContact C-N 3.31Å; K139-F380 PolarHBondContact NZ-O 2.88Å; K139-F380 VanDerWaalsContact NZ-O 3.17Å; K139-T382 WeakPolarHBondContact CE-OG1 3.34Å; K139-T382 PolarHBondContact NZ-OG1 2.93Å
140	R	91.3	Very high	94.6	Very high	70 Å²	70	34.1 Å²	34.1	26%	0.264	18%	0.182	S	C	.	.			trans	-76.1	-38.3	179.6	-179.7	63	-169	-116.8	7.5	112.7	S136 D138 D157 I158 K159	S136-R140 PolarHBondContact OG-N 3Å; D138-R140 PolarHBondContact O-N 2.89Å; D138-R140 WeakPolarHBondContact OD1-CB 3.41Å; D138-R140 PolarHBondContact OD1-N 2.87Å; D138-R140 VanDerWaalsContact OD1-N 3.13Å; D138-R140 WeakPolarHBondContact OD2-CB 3.5Å; R140-D157 IonicContact CZ-OD1 3.7Å; R140-D157 IonicContact CZ-OD2 2.7Å; R140-D157 IonicContact NE-OD1 3.53Å; R140-D157 PolarHBondContact NE-OD1 3.28Å; R140-D157 IonicContact NE-OD2 3.48Å; R140-D157 VanDerWaalsContact NH2-CG 3.34Å; R140-D157 IonicContact NH2-OD1 2.99Å; R140-D157 PolarHBondContact NH2-OD1 2.89Å; R140-D157 VanDerWaalsContact NH2-OD1 3.17Å; R140-D157 IonicContact NH2-OD2 3.57Å; R140-D157 PolarHBondContact NH2-OD2 3.42Å; R140-I158 VanDerWaalsContact O-CG2 3.28Å; R140-I158 WeakPolarHBondContact O-CG2 3.43Å; R140-I158 PolarHBondContact O-N 2.78Å; R140-I158 VanDerWaalsContact O-N 3.09Å; R140-K159 VanDerWaalsContact CZ-CD 3.46Å; R140-K159 VanDerWaalsContact NH1-CD 3.26Å
141	W	96	Very high	94.5	Very high	58 Å²	58	34.2 Å²	34.2	22%	0.22	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.7	-171.5	-56.8	105	0	0	0	109.7	C135 S136 V155 D157 V164 L180 A184 W204	C135-W141 CarbonylContact C-O 3.49Å; C135-W141 WeakPolarHBondContact CA-O 3.47Å; S136-W141 PolarHBondContact N-O 2.76Å; S136-W141 PolarHBondContact OG-N 2.68Å; S136-W141 PolarHBondContact OG-O 2.85Å; W141-V155 HydrophobicContact CE3-CG1 4.25Å; W141-D157 HydrophobicContact CE3-CB 4.27Å; W141-D157 HydrophobicContact CH2-CB 4.42Å; W141-D157 HydrophobicContact CZ3-CB 3.72Å; W141-V164 HydrophobicContact CZ3-CB 4.19Å; W141-V164 HydrophobicContact CZ3-CG1 4.21Å; W141-V164 HydrophobicContact CZ3-CG2 3.88Å; W141-L180 HydrophobicContact CB-CD2 4Å; W141-A184 HydrophobicContact CB-CB 4.44Å; W141-A184 HydrophobicContact CG-CB 4.19Å; W141-W204 AromaticContact CD2-CH2 3.99Å; W141-W204 HydrophobicContact CD2-CH2 3.99Å; W141-W204 HydrophobicContact CD2-CZ2 4.41Å; W141-W204 HydrophobicContact CE3-CH2 4.06Å; W141-W204 HydrophobicContact CG-CH2 4.48Å; W141-W204 HydrophobicContact CG-CZ2 4.44Å; W141-W204 HydrophobicContact CZ2-CH2 4.45Å; W141-W204 HydrophobicContact CZ3-CH2 4.31Å
142	L	97.1	Very high	94.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.6	170.9	-60	168.9	0	0	0	107.9	L94 F103 L112 T134 C135 V155 W156 I158	L94-L142 HydrophobicContact CD1-CD1 4.26Å; L94-L142 HydrophobicContact CD1-CD2 4.28Å; L94-L142 HydrophobicContact CD2-CD2 4.23Å; F103-L142 HydrophobicContact CD1-CD1 4Å; F103-L142 HydrophobicContact CD1-CD2 3.81Å; F103-L142 HydrophobicContact CD1-CG 4.37Å; F103-L142 HydrophobicContact CD2-CD1 4.01Å; F103-L142 HydrophobicContact CE1-CB 4.05Å; F103-L142 HydrophobicContact CE1-CD1 4Å; F103-L142 HydrophobicContact CE1-CD2 4.06Å; F103-L142 HydrophobicContact CE1-CG 4.26Å; F103-L142 HydrophobicContact CE2-CD1 3.99Å; F103-L142 HydrophobicContact CG-CD1 4Å; F103-L142 HydrophobicContact CG-CD2 4.41Å; F103-L142 HydrophobicContact CZ-CB 4.28Å; F103-L142 HydrophobicContact CZ-CD1 3.99Å; L112-L142 HydrophobicContact CD2-CD1 4.04Å; T134-L142 WeakPolarHBondContact O-CA 3.24Å; C135-L142 HydrophobicContact CB-CD2 3.79Å; C135-L142 VanDerWaalsContact SG-CD2 3.56Å; L142-V155 CarbonylContact O-C 3.59Å; L142-V155 WeakPolarHBondContact O-CA 3.5Å; L142-W156 HydrophobicContact CB-CB 4.24Å; L142-W156 PolarHBondContact N-O 3.21Å; L142-W156 PolarHBondContact O-N 3.04Å; L142-I158 HydrophobicContact CD1-CG1 4.46Å
143	A	97.8	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.6	169.1	0	0	0	0	0	110.4	I133 T134 I154 V155 V178 L187	I133-A143 CarbonylContact C-O 3.6Å; I133-A143 VanDerWaalsContact CA-O 3.27Å; I133-A143 WeakPolarHBondContact CA-O 3.47Å; T134-A143 HydrophobicContact CG2-CB 3.74Å; T134-A143 PolarHBondContact N-O 2.9Å; T134-A143 PolarHBondContact O-N 3.21Å; A143-I154 CarbonylContact C-O 3.55Å; A143-I154 VanDerWaalsContact CA-O 3.25Å; A143-I154 WeakPolarHBondContact CA-O 3.35Å; A143-V155 HydrophobicContact CB-CG2 4.23Å; A143-V178 HydrophobicContact CB-CG1 4.18Å; A143-L187 HydrophobicContact CB-CD1 3.72Å
144	S	98.3	Very high	94.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	146.8	-179.7	53.1	0	0	0	0	110.4	L110 H126 S132 V153 I154 W156	L110-S144 VanDerWaalsContact CD1-OG 3.28Å; L110-S144 WeakPolarHBondContact CD1-OG 3.47Å; H126-S144 WeakPolarHBondContact NE2-CB 3.35Å; H126-S144 PolarHBondContact NE2-OG 3.33Å; S132-S144 CarbonylContact O-C 3.55Å; S132-S144 VanDerWaalsContact O-CA 3.27Å; S132-S144 WeakPolarHBondContact O-CA 3.29Å; S144-V153 CarbonylContact O-C 3.53Å; S144-V153 VanDerWaalsContact O-CA 3.22Å; S144-V153 WeakPolarHBondContact O-CA 3.43Å; S144-I154 PolarHBondContact N-O 2.83Å; S144-I154 PolarHBondContact O-N 3.35Å; S144-I154 PolarHBondContact OG-O 2.63Å; S144-W156 PolarHBondContact OG-NE1 2.67Å
145	G	97.7	Very high	94.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.5	174.6	0	0	0	0	0	110.7	M131 S132	M131-G145 PolarHBondContact N-O 2.92Å; S132-G145 PolarHBondContact N-O 2.81Å; S132-G145 PolarHBondContact O-N 3.28Å
146	D	97.5	Very high	94.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	170.5	178.5	64	10	0	0	0	112.2	H126 N128 E129 S151 A152 V175	H126-D146 HydrophobicContact CB-CB 4.39Å; H126-D146 WeakPolarHBondContact CB-OD2 3.41Å; H126-D146 IonicContact CE1-OD2 2.77Å; H126-D146 IonicContact CG-OD2 2.93Å; H126-D146 IonicContact ND1-OD1 3.32Å; H126-D146 IonicContact ND1-OD2 3.59Å; H126-D146 PolarHBondContact ND1-OD2 2.72Å; N128-D146 HydrophobicContact CB-CB 3.95Å; E129-D146 VanDerWaalsContact O-CA 3.3Å; E129-D146 WeakPolarHBondContact O-CA 3.46Å; E129-D146 VanDerWaalsContact O-CB 3.28Å; E129-D146 WeakPolarHBondContact O-CB 3.43Å; D146-S151 WeakPolarHBondContact O-CB 3.49Å; D146-S151 WeakPolarHBondContact OD1-CA 3.45Å; D146-S151 WeakPolarHBondContact OD1-CB 3.36Å; D146-A152 PolarHBondContact N-O 2.8Å; D146-A152 PolarHBondContact OD1-N 3.14Å; D146-A152 VanDerWaalsContact OD1-O 3.07Å; D146-V175 PolarHBondContact O-N 3.25Å
147	R	95.3	Very high	94.6	Very high	57 Å²	57	28.8 Å²	28.8	22%	0.215	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-88.2	173.5	177.3	64.6	-173.5	-122.6	-177.2	12.8	112.4	N128 E129 M131 N733 G736 V737	N128-R147 HydrophobicContact CB-CG 4.48Å; N128-R147 WeakPolarHBondContact CB-O 3.42Å; N128-R147 VanDerWaalsContact CG-O 3.27Å; N128-R147 PolarHBondContact ND2-O 2.94Å; E129-R147 HydrophobicContact CB-CG 4.27Å; E129-R147 PolarHBondContact O-N 3.07Å; E129-R147 VanDerWaalsContact O-N 3.15Å; E129-R147 IonicContact OE2-CZ 3.91Å; E129-R147 IonicContact OE2-NE 2.81Å; E129-R147 IonicContact OE2-NH1 2.83Å; E129-R147 PolarHBondContact OE2-NH1 2.96Å; M131-R147 HydrophobicContact CG-CB 3.76Å; M131-R147 HydrophobicContact CG-CG 4.31Å; M131-R147 HydrophobicContact SD-CB 4.39Å; M131-R147 HydrophobicContact SD-CG 4.49Å; R147-N733 PolarHBondContact NH2-O 3.12Å; R147-G736 PolarHBondContact NH2-O 2.97Å; R147-V737 VanDerWaalsContact NH1-CG1 3.31Å
148	G	92.4	Very high	94.7	Very high	9 Å²	9	28.4 Å²	28.4	9%	0.093	14%	0.138	C	C	.	.	S	Bend	trans	97.1	167.8	168.7	0	0	0	0	0	114.9	D150 S151 Y173 G174	G148-D150 VanDerWaalsContact C-N 3.3Å; G148-D150 PolarHBondContact O-N 3.42Å; G148-S151 VanDerWaalsContact O-CB 3.22Å; G148-S151 WeakPolarHBondContact O-CB 3.45Å; G148-S151 PolarHBondContact O-N 3.28Å; G148-S151 PolarHBondContact O-OG 3.45Å; G148-Y173 PolarHBondContact N-O 2.88Å; G148-Y173 VanDerWaalsContact N-O 3.13Å; G148-Y173 CarbonylContact O-C 3.44Å; G148-Y173 VanDerWaalsContact O-C 3.25Å; G148-G174 WeakPolarHBondContact O-CA 3.24Å; G148-G174 PolarHBondContact O-N 2.9Å
149	I	92.1	Very high	94.8	Very high	120 Å²	120	30.6 Å²	30.6	62%	0.615	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.6	-173	-60.9	169.4	0	0	0	111.8	Y173	I149-Y173 HydrophobicContact CG1-CD1 4.46Å
150	D	90.8	Very high	94.8	Very high	60 Å²	60	31.7 Å²	31.7	32%	0.321	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	33.3	176.7	66.7	-29	0	0	0	112.2	N128 G148 R735	N128-D150 PolarHBondContact ND2-OD1 2.96Å; G148-D150 VanDerWaalsContact C-N 3.3Å; G148-D150 PolarHBondContact O-N 3.42Å; D150-R735 VanDerWaalsContact CG-NH1 3.34Å; D150-R735 IonicContact OD1-CZ 3.76Å; D150-R735 IonicContact OD1-NH1 3.09Å; D150-R735 PolarHBondContact OD1-NH1 3.17Å; D150-R735 IonicContact OD1-NH2 2.74Å; D150-R735 IonicContact OD2-CZ 3.62Å; D150-R735 IonicContact OD2-NH1 3.49Å; D150-R735 PolarHBondContact OD2-NH1 3.05Å; D150-R735 IonicContact OD2-NH2 2.71Å; D150-R735 PolarHBondContact OD2-NH2 2.84Å
151	S	95	Very high	94.6	Very high	1 Å²	1	29 Å²	29	1%	0.007	15%	0.147	C	C	.	.			trans	-56.6	155.6	175.5	56.9	0	0	0	0	113.5	D146 G148 K169 P170 G174	D146-S151 WeakPolarHBondContact O-CB 3.49Å; D146-S151 WeakPolarHBondContact OD1-CA 3.45Å; D146-S151 WeakPolarHBondContact OD1-CB 3.36Å; G148-S151 VanDerWaalsContact O-CB 3.22Å; G148-S151 WeakPolarHBondContact O-CB 3.45Å; G148-S151 PolarHBondContact O-N 3.28Å; G148-S151 PolarHBondContact O-OG 3.45Å; S151-K169 WeakPolarHBondContact O-CA 3.48Å; S151-K169 PolarHBondContact O-N 3.49Å; S151-P170 WeakPolarHBondContact O-CD 3.34Å; S151-G174 WeakPolarHBondContact OG-CA 3.37Å
152	A	96.3	Very high	94.4	Very high	12 Å²	12	32 Å²	32	10%	0.099	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.2	173.2	0	0	0	0	0	110.8	H126 D146 I154 T166 I167	H126-A152 PolarHBondContact CE1-O 2.89Å; D146-A152 PolarHBondContact N-O 2.8Å; D146-A152 PolarHBondContact OD1-N 3.14Å; D146-A152 VanDerWaalsContact OD1-O 3.07Å; A152-I154 HydrophobicContact CB-CG1 4.37Å; A152-T166 HydrophobicContact CB-CG2 4.16Å; A152-I167 CarbonylContact C-O 3.59Å; A152-I167 VanDerWaalsContact CA-O 3.32Å; A152-I167 WeakPolarHBondContact CA-O 3.23Å
153	V	97.7	Very high	94.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.9	163.4	170.2	0	0	0	0	108.1	S144 I167 P170 V175 V178 L187 T189	S144-V153 CarbonylContact O-C 3.53Å; S144-V153 VanDerWaalsContact O-CA 3.22Å; S144-V153 WeakPolarHBondContact O-CA 3.43Å; V153-I167 HydrophobicContact CB-CB 4.39Å; V153-I167 PolarHBondContact N-O 2.86Å; V153-I167 PolarHBondContact O-N 2.82Å; V153-P170 HydrophobicContact CG2-CG 3.91Å; V153-V175 HydrophobicContact CG2-CB 4.35Å; V153-V175 HydrophobicContact CG2-CG1 4.31Å; V153-V175 HydrophobicContact CG2-CG2 3.68Å; V153-V178 HydrophobicContact CG1-CG1 4.41Å; V153-V178 HydrophobicContact CG2-CG2 4.13Å; V153-L187 HydrophobicContact CG1-CD2 3.47Å; V153-L187 VanDerWaalsContact CG1-CD2 3.47Å; V153-T189 HydrophobicContact CG1-CG2 4.37Å; V153-T189 HydrophobicContact CG2-CG2 3.97Å
154	I	97.7	Very high	94.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.5	-175.1	-52.9	176.3	0	0	0	109.1	A143 S144 A152 W156 A163 R165 T166	A143-I154 CarbonylContact C-O 3.55Å; A143-I154 VanDerWaalsContact CA-O 3.25Å; A143-I154 WeakPolarHBondContact CA-O 3.35Å; S144-I154 PolarHBondContact N-O 2.83Å; S144-I154 PolarHBondContact O-N 3.35Å; S144-I154 PolarHBondContact OG-O 2.63Å; A152-I154 HydrophobicContact CB-CG1 4.37Å; I154-W156 HydrophobicContact CB-CH2 4.38Å; I154-W156 HydrophobicContact CB-CZ2 3.6Å; I154-W156 HydrophobicContact CD1-CH2 3.99Å; I154-W156 HydrophobicContact CD1-CZ2 3.73Å; I154-W156 HydrophobicContact CG1-CZ2 4.25Å; I154-W156 HydrophobicContact CG2-CD2 3.83Å; I154-W156 HydrophobicContact CG2-CE3 4.2Å; I154-W156 HydrophobicContact CG2-CG 4.47Å; I154-W156 HydrophobicContact CG2-CH2 3.77Å; I154-W156 HydrophobicContact CG2-CZ2 3.38Å; I154-W156 HydrophobicContact CG2-CZ3 4.17Å; I154-W156 PolarHBondContact O-NE1 3.28Å; I154-A163 HydrophobicContact CG2-CB 3.64Å; I154-R165 CarbonylContact C-O 3.58Å; I154-R165 WeakPolarHBondContact CA-O 3.22Å; I154-T166 HydrophobicContact CG1-CG2 4.13Å
155	V	97.4	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.2	171.1	-175	0	0	0	0	108.5	W141 L142 A143 V164 R165 L187 W204	W141-V155 HydrophobicContact CE3-CG1 4.25Å; L142-V155 CarbonylContact O-C 3.59Å; L142-V155 WeakPolarHBondContact O-CA 3.5Å; A143-V155 HydrophobicContact CB-CG2 4.23Å; V155-V164 PolarHBondContact O-N 2.61Å; V155-R165 HydrophobicContact CB-CB 4.22Å; V155-R165 HydrophobicContact CG2-CB 4.41Å; V155-R165 PolarHBondContact N-O 3.26Å; V155-R165 PolarHBondContact O-N 2.63Å; V155-L187 HydrophobicContact CG2-CD2 4.38Å; V155-W204 HydrophobicContact CB-CE3 4.34Å; V155-W204 HydrophobicContact CG1-CD2 4.36Å; V155-W204 HydrophobicContact CG1-CE3 4.12Å; V155-W204 HydrophobicContact CG1-CH2 4.1Å; V155-W204 HydrophobicContact CG1-CZ2 4.35Å; V155-W204 HydrophobicContact CG1-CZ3 3.98Å; V155-W204 HydrophobicContact CG2-CD2 4.2Å; V155-W204 HydrophobicContact CG2-CE3 4.26Å; V155-W204 HydrophobicContact CG2-CG 4.32Å
156	W	97.4	Very high	93.9	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.3	-175.6	-44.3	84.5	0	0	0	110.6	L110 L123 R124 L142 S144 I154 E162 A163	L110-W156 HydrophobicContact CD1-CZ2 3.62Å; L123-W156 HydrophobicContact CB-CD2 4.39Å; L123-W156 HydrophobicContact CB-CE3 3.98Å; L123-W156 HydrophobicContact CB-CH2 4.24Å; L123-W156 HydrophobicContact CB-CZ3 3.9Å; L123-W156 HydrophobicContact CD1-CB 4.33Å; L123-W156 HydrophobicContact CD1-CD2 4.05Å; L123-W156 HydrophobicContact CD1-CE3 4.16Å; L123-W156 HydrophobicContact CD1-CG 4.13Å; R124-W156 VanDerWaalsContact O-CH2 3.25Å; R124-W156 WeakPolarHBondContact O-CH2 3.43Å; L142-W156 HydrophobicContact CB-CB 4.24Å; L142-W156 PolarHBondContact N-O 3.21Å; L142-W156 PolarHBondContact O-N 3.04Å; S144-W156 PolarHBondContact OG-NE1 2.67Å; I154-W156 HydrophobicContact CB-CH2 4.38Å; I154-W156 HydrophobicContact CB-CZ2 3.6Å; I154-W156 HydrophobicContact CD1-CH2 3.99Å; I154-W156 HydrophobicContact CD1-CZ2 3.73Å; I154-W156 HydrophobicContact CG1-CZ2 4.25Å; I154-W156 HydrophobicContact CG2-CD2 3.83Å; I154-W156 HydrophobicContact CG2-CE3 4.2Å; I154-W156 HydrophobicContact CG2-CG 4.47Å; I154-W156 HydrophobicContact CG2-CH2 3.77Å; I154-W156 HydrophobicContact CG2-CZ2 3.38Å; I154-W156 HydrophobicContact CG2-CZ3 4.17Å; I154-W156 PolarHBondContact O-NE1 3.28Å; W156-E162 WeakPolarHBondContact CA-O 3.24Å; W156-A163 HydrophobicContact CE3-CB 3.87Å; W156-A163 HydrophobicContact CH2-CB 4.3Å; W156-A163 HydrophobicContact CZ3-CB 3.68Å
157	D	95.2	Very high	93.8	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.8	165.5	-178.7	-10.1	0	0	0	109.1	R140 W141 K159 T160 G161 E162 V164	R140-D157 IonicContact CZ-OD1 3.7Å; R140-D157 IonicContact CZ-OD2 2.7Å; R140-D157 IonicContact NE-OD1 3.53Å; R140-D157 PolarHBondContact NE-OD1 3.28Å; R140-D157 IonicContact NE-OD2 3.48Å; R140-D157 VanDerWaalsContact NH2-CG 3.34Å; R140-D157 IonicContact NH2-OD1 2.99Å; R140-D157 PolarHBondContact NH2-OD1 2.89Å; R140-D157 VanDerWaalsContact NH2-OD1 3.17Å; R140-D157 IonicContact NH2-OD2 3.57Å; R140-D157 PolarHBondContact NH2-OD2 3.42Å; W141-D157 HydrophobicContact CE3-CB 4.27Å; W141-D157 HydrophobicContact CH2-CB 4.42Å; W141-D157 HydrophobicContact CZ3-CB 3.72Å; D157-K159 VanDerWaalsContact C-N 3.27Å; D157-K159 PolarHBondContact O-N 2.74Å; D157-K159 PolarHBondContact OD1-N 3.02Å; D157-T160 WeakPolarHBondContact CB-OG1 3.43Å; D157-G161 WeakPolarHBondContact O-CA 3.3Å; D157-G161 PolarHBondContact O-N 3.21Å; D157-E162 PolarHBondContact N-O 2.87Å; D157-E162 VanDerWaalsContact N-O 3.08Å; D157-V164 HydrophobicContact CB-CG2 3.77Å
158	I	90.9	Very high	93.7	Very high	43 Å²	43	44.2 Å²	44.2	22%	0.221	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35	178.8	-165.1	176.5	0	0	0	112.9	L94 R140 L142	L94-I158 HydrophobicContact CD1-CD1 3.7Å; L94-I158 HydrophobicContact CD2-CD1 4.44Å; L94-I158 HydrophobicContact CG-CD1 4.45Å; R140-I158 VanDerWaalsContact O-CG2 3.28Å; R140-I158 WeakPolarHBondContact O-CG2 3.43Å; R140-I158 PolarHBondContact O-N 2.78Å; R140-I158 VanDerWaalsContact O-N 3.09Å; L142-I158 HydrophobicContact CD1-CG1 4.46Å
159	K	88.2	Confident	93.8	Very high	152 Å²	152	50.5 Å²	50.5	66%	0.661	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-44.3	-173	-67	-158.9	-171.5	-178.8	0	111.6	R140 D157	R140-K159 VanDerWaalsContact CZ-CD 3.46Å; R140-K159 VanDerWaalsContact NH1-CD 3.26Å; D157-K159 VanDerWaalsContact C-N 3.27Å; D157-K159 PolarHBondContact O-N 2.74Å; D157-K159 PolarHBondContact OD1-N 3.02Å
160	T	89.9	Confident	93.9	Very high	62 Å²	62	45.2 Å²	45.2	38%	0.38	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-30.2	176.9	65	0	0	0	0	111	K121 D157 E162	K121-T160 PolarHBondContact NZ-O 2.84Å; D157-T160 WeakPolarHBondContact CB-OG1 3.43Å; T160-E162 WeakPolarHBondContact OG1-CB 3.35Å; T160-E162 PolarHBondContact OG1-N 3.44Å
161	G	86.8	Confident	94	Very high	15 Å²	15	43 Å²	43	16%	0.155	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	23.5	-168.7	0	0	0	0	0	112.9	L123 D157	L123-G161 WeakPolarHBondContact CD2-O 3.46Å; D157-G161 WeakPolarHBondContact O-CA 3.3Å; D157-G161 PolarHBondContact O-N 3.21Å
162	E	91.5	Very high	93.9	Very high	119 Å²	119	47 Å²	47	56%	0.556	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	150.6	-179.6	-63.4	178.6	159	0	0	110.7	W156 D157 T160 V164	W156-E162 WeakPolarHBondContact CA-O 3.24Å; D157-E162 PolarHBondContact N-O 2.87Å; D157-E162 VanDerWaalsContact N-O 3.08Å; T160-E162 WeakPolarHBondContact OG1-CB 3.35Å; T160-E162 PolarHBondContact OG1-N 3.44Å; E162-V164 PolarHBondContact O-N 2.93Å
163	A	94.5	Very high	93.7	Very high	49 Å²	49	52.8 Å²	52.8	41%	0.405	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	118.3	168.5	0	0	0	0	0	109	I154 W156	I154-A163 HydrophobicContact CG2-CB 3.64Å; W156-A163 HydrophobicContact CE3-CB 3.87Å; W156-A163 HydrophobicContact CH2-CB 4.3Å; W156-A163 HydrophobicContact CZ3-CB 3.68Å
164	V	94.5	Very high	93.5	Very high	76 Å²	76	52.8 Å²	52.8	46%	0.461	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-32.4	-179.3	177	0	0	0	0	111.5	W141 V155 D157 E162 W204	W141-V164 HydrophobicContact CZ3-CB 4.19Å; W141-V164 HydrophobicContact CZ3-CG1 4.21Å; W141-V164 HydrophobicContact CZ3-CG2 3.88Å; V155-V164 PolarHBondContact O-N 2.61Å; D157-V164 HydrophobicContact CB-CG2 3.77Å; E162-V164 PolarHBondContact O-N 2.93Å; V164-W204 HydrophobicContact CG1-CZ3 4.48Å
165	R	95.1	Very high	93.5	Very high	31 Å²	31	52.7 Å²	52.7	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.5	174.9	-177.9	65.8	-168.9	-86	5.3	110.5	I154 V155 I167 W204 S208 D209	I154-R165 CarbonylContact C-O 3.58Å; I154-R165 WeakPolarHBondContact CA-O 3.22Å; V155-R165 HydrophobicContact CB-CB 4.22Å; V155-R165 HydrophobicContact CG2-CB 4.41Å; V155-R165 PolarHBondContact N-O 3.26Å; V155-R165 PolarHBondContact O-N 2.63Å; R165-I167 HydrophobicContact CG-CG1 4.24Å; R165-W204 HydrophobicContact CB-CE3 4.17Å; R165-W204 PolarHBondContact NH1-O 3.27Å; R165-S208 VanDerWaalsContact NH2-C 3.31Å; R165-S208 PolarHBondContact NH2-O 2.83Å; R165-D209 IonicContact CZ-OD1 2.74Å; R165-D209 IonicContact NH2-OD1 3.07Å; R165-D209 PolarHBondContact NH2-OD1 2.81Å
166	T	95.7	Very high	93.5	Very high	61 Å²	61	54 Å²	54	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.3	168.5	-58.3	0	0	0	0	108.4	A152 I154 T168	A152-T166 HydrophobicContact CB-CG2 4.16Å; I154-T166 HydrophobicContact CG1-CG2 4.13Å; T166-T168 HydrophobicContact CG2-CG2 3.96Å
167	I	95.7	Very high	93.5	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	107.4	171.5	-57.1	172.2	0	0	0	106.1	A152 V153 R165 P170 L187 W202 W204	A152-I167 CarbonylContact C-O 3.59Å; A152-I167 VanDerWaalsContact CA-O 3.32Å; A152-I167 WeakPolarHBondContact CA-O 3.23Å; V153-I167 HydrophobicContact CB-CB 4.39Å; V153-I167 PolarHBondContact N-O 2.86Å; V153-I167 PolarHBondContact O-N 2.82Å; R165-I167 HydrophobicContact CG-CG1 4.24Å; I167-P170 HydrophobicContact CG2-CB 4.09Å; I167-L187 HydrophobicContact CD1-CD2 4.25Å; I167-W202 HydrophobicContact CD1-CB 4.27Å; I167-W202 HydrophobicContact CD1-CD2 4.02Å; I167-W202 HydrophobicContact CD1-CE3 4.08Å; I167-W202 HydrophobicContact CD1-CG 4.1Å; I167-W202 HydrophobicContact CG2-CD2 4.5Å; I167-W202 HydrophobicContact CG2-CE3 4.08Å; I167-W202 HydrophobicContact CG2-CH2 3.86Å; I167-W202 HydrophobicContact CG2-CZ2 4.29Å; I167-W202 HydrophobicContact CG2-CZ3 3.73Å; I167-W204 HydrophobicContact CD1-CB 4.45Å
168	T	94.1	Very high	93.6	Very high	97 Å²	97	53.7 Å²	53.7	60%	0.595	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.2	-178.2	54.1	0	0	0	0	111.1	T166	T166-T168 HydrophobicContact CG2-CG2 3.96Å
169	K	93.5	Very high	93.9	Very high	141 Å²	141	52 Å²	52	61%	0.613	28%	0.279	S	S	*	.			trans	48.9	52.4	-179.1	-58.5	-177	179.5	179.3	0	113.2	S151 H171	S151-K169 WeakPolarHBondContact O-CA 3.48Å; S151-K169 PolarHBondContact O-N 3.49Å; K169-H171 PolarHBondContact O-N 2.78Å
170	P	93.3	Very high	94.3	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.065	25%	0.251	C	S	.	.	S	Bend	trans	-61.6	-25.5	179.6	27.9	-36	0	0	0	112.6	S151 V153 I167 V175 W202	S151-P170 WeakPolarHBondContact O-CD 3.34Å; V153-P170 HydrophobicContact CG2-CG 3.91Å; I167-P170 HydrophobicContact CG2-CB 4.09Å; P170-V175 HydrophobicContact CB-CG2 4.41Å; P170-V175 HydrophobicContact CG-CG2 3.44Å; P170-V175 VanDerWaalsContact CG-CG2 3.44Å; P170-W202 HydrophobicContact CB-CH2 4.18Å; P170-W202 HydrophobicContact CB-CZ2 3.69Å
171	H	94.5	Very high	94.6	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.065	23%	0.233	C	C	.	.	S	Bend	trans	-144.9	155.8	177	-64.5	-86.2	0	0	0	109.9	K169 Y173 G174 T189 G191 S198 S200	K169-H171 PolarHBondContact O-N 2.78Å; H171-Y173 VanDerWaalsContact C-N 3.34Å; H171-Y173 PolarHBondContact O-N 3.43Å; H171-G174 WeakPolarHBondContact CB-O 3.47Å; H171-T189 PolarHBondContact NE2-O 3.19Å; H171-T189 PolarHBondContact NE2-OG1 2.99Å; H171-G191 PolarHBondContact CE1-N 3.34Å; H171-G191 VanDerWaalsContact ND1-CA 3.35Å; H171-G191 WeakPolarHBondContact ND1-CA 3.35Å; H171-S198 PolarHBondContact CE1-O 3.26Å; H171-S198 VanDerWaalsContact CE1-O 3.28Å; H171-S198 PolarHBondContact CE1-OG 3.29Å; H171-S198 PolarHBondContact ND1-OG 3.26Å; H171-S200 PolarHBondContact CE1-OG 2.83Å
172	S	92.3	Very high	94.8	Very high	84 Å²	84	47.8 Å²	47.8	59%	0.587	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-31	-173.6	-50.8	0	0	0	0	115.3
173	Y	91.7	Very high	94.8	Very high	133 Å²	133	46.1 Å²	46.1	52%	0.522	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	9.5	-174.5	-65.4	-74.9	0	0	0	114	G148 I149 H171 D193	G148-Y173 PolarHBondContact N-O 2.88Å; G148-Y173 VanDerWaalsContact N-O 3.13Å; G148-Y173 CarbonylContact O-C 3.44Å; G148-Y173 VanDerWaalsContact O-C 3.25Å; I149-Y173 HydrophobicContact CG1-CD1 4.46Å; H171-Y173 VanDerWaalsContact C-N 3.34Å; H171-Y173 PolarHBondContact O-N 3.43Å; Y173-D193 HydrophobicContact CD2-CB 3.83Å; Y173-D193 WeakPolarHBondContact CD2-OD2 3.16Å; Y173-D193 HydrophobicContact CE2-CB 4.46Å; Y173-D193 WeakPolarHBondContact CE2-OD2 3.22Å
174	G	94.6	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	110	178.7	-178.7	0	0	0	0	0	114.8	G148 S151 H171 G191 A192	G148-G174 WeakPolarHBondContact O-CA 3.24Å; G148-G174 PolarHBondContact O-N 2.9Å; S151-G174 WeakPolarHBondContact OG-CA 3.37Å; H171-G174 WeakPolarHBondContact CB-O 3.47Å; G174-G191 CarbonylContact O-C 3.53Å; G174-G191 WeakPolarHBondContact O-CA 3.15Å; G174-A192 WeakPolarHBondContact O-CB 3.37Å; G174-A192 PolarHBondContact O-N 3.07Å
175	V	97.1	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.6	-177.1	-172.6	0	0	0	0	109.9	M131 D146 V153 P170 S177 V178 L190	M131-V175 WeakPolarHBondContact CB-O 3.44Å; D146-V175 PolarHBondContact O-N 3.25Å; V153-V175 HydrophobicContact CG2-CB 4.35Å; V153-V175 HydrophobicContact CG2-CG1 4.31Å; V153-V175 HydrophobicContact CG2-CG2 3.68Å; P170-V175 HydrophobicContact CB-CG2 4.41Å; P170-V175 HydrophobicContact CG-CG2 3.44Å; P170-V175 VanDerWaalsContact CG-CG2 3.44Å; V175-S177 VanDerWaalsContact CG1-O 3.26Å; V175-S177 WeakPolarHBondContact CG1-O 3.3Å; V175-V178 HydrophobicContact CG1-CG2 3.56Å; V175-L190 WeakPolarHBondContact CA-O 3.47Å
176	V	96.7	Very high	94.7	Very high	27 Å²	27	44.3 Å²	44.3	16%	0.164	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-36.9	177	-173.9	0	0	0	0	110.7	L190 G191 A192 F223	V176-L190 PolarHBondContact N-O 2.8Å; V176-G191 WeakPolarHBondContact CG2-O 3.39Å; V176-A192 VanDerWaalsContact CG2-CA 3.44Å; V176-A192 HydrophobicContact CG2-CB 3.58Å; V176-F223 HydrophobicContact CG1-CE1 4.34Å; V176-F223 HydrophobicContact CG2-CE1 4.14Å; V176-F223 HydrophobicContact CG2-CZ 3.69Å
177	S	97.4	Very high	94.7	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.6	-176.9	-167	0	0	0	0	111.4	V175 T189 L190 T225 I227	V175-S177 VanDerWaalsContact CG1-O 3.26Å; V175-S177 WeakPolarHBondContact CG1-O 3.3Å; S177-T189 WeakPolarHBondContact O-CA 3.36Å; S177-L190 PolarHBondContact O-N 2.9Å; S177-T225 WeakPolarHBondContact CB-O 3.33Å; S177-I227 WeakPolarHBondContact O-CD1 3.33Å; S177-I227 PolarHBondContact OG-N 3.34Å; S177-I227 VanDerWaalsContact OG-N 3.15Å
178	V	98	Very high	94.8	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.2	175	-176	0	0	0	0	108.1	S132 T134 A143 V153 V175 L187 A188 T189	S132-V178 PolarHBondContact OG-N 2.81Å; T134-V178 WeakPolarHBondContact CB-O 3.48Å; T134-V178 HydrophobicContact CG2-CB 4.41Å; T134-V178 HydrophobicContact CG2-CG1 3.85Å; A143-V178 HydrophobicContact CB-CG1 4.18Å; V153-V178 HydrophobicContact CG1-CG1 4.41Å; V153-V178 HydrophobicContact CG2-CG2 4.13Å; V175-V178 HydrophobicContact CG1-CG2 3.56Å; V178-L187 HydrophobicContact CG1-CD1 3.49Å; V178-L187 VanDerWaalsContact CG1-CD1 3.49Å; V178-L187 HydrophobicContact CG1-CD2 4.35Å; V178-L187 HydrophobicContact CG1-CG 3.99Å; V178-A188 WeakPolarHBondContact CA-O 3.42Å; V178-T189 HydrophobicContact CG2-CG2 4.46Å
179	A	97.6	Very high	95	Very high	7 Å²	7	36.7 Å²	36.7	6%	0.058	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.5	173.5	0	0	0	0	0	110.2	L187 A188 I227 F229	A179-L187 CarbonylContact O-C 3.21Å; A179-L187 WeakPolarHBondContact O-CA 3.16Å; A179-A188 PolarHBondContact N-O 2.94Å; A179-A188 PolarHBondContact O-N 3.08Å; A179-I227 HydrophobicContact CB-CB 3.91Å; A179-I227 HydrophobicContact CB-CG2 3.72Å; A179-F229 HydrophobicContact CB-CD2 3.78Å; A179-F229 HydrophobicContact CB-CE2 3.89Å; A179-F229 WeakPolarHBondContact O-CE2 3.24Å
180	L	96.6	Very high	95.2	Very high	13 Å²	13	30 Å²	30	7%	0.068	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142.4	177.8	-169.5	68.3	0	0	0	109.6	T134 W141 A184 Y186 L187	T134-L180 HydrophobicContact CG2-CB 3.8Å; T134-L180 PolarHBondContact OG1-N 2.92Å; W141-L180 HydrophobicContact CB-CD2 4Å; L180-A184 HydrophobicContact CD2-CB 4.13Å; L180-A184 HydrophobicContact CG-CB 4.45Å; L180-Y186 WeakPolarHBondContact CD1-O 3.41Å; L180-L187 HydrophobicContact CB-CD1 4.19Å; L180-L187 HydrophobicContact CD1-CB 4.25Å; L180-L187 HydrophobicContact CD1-CD1 3.67Å
181	T	95.7	Very high	95.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	14%	0.144	C	C	.	.			trans	-68.2	154.9	173.2	57.9	0	0	0	0	110.9	D183 A184 R185 Y186 F229 Y234	T181-D183 VanDerWaalsContact CB-OD1 3.23Å; T181-D183 WeakPolarHBondContact CB-OD1 3.35Å; T181-D183 PolarHBondContact O-N 3.38Å; T181-D183 PolarHBondContact OG1-OD1 3.36Å; T181-A184 WeakPolarHBondContact O-CA 3.43Å; T181-A184 PolarHBondContact O-N 3.49Å; T181-R185 PolarHBondContact OG1-N 3.02Å; T181-R185 VanDerWaalsContact OG1-N 3.13Å; T181-Y186 PolarHBondContact N-O 3.49Å; T181-Y186 PolarHBondContact OG1-N 2.82Å; T181-Y186 VanDerWaalsContact OG1-N 3.09Å; T181-Y186 PolarHBondContact OG1-O 2.74Å; T181-F229 HydrophobicContact CG2-CD1 3.85Å; T181-F229 HydrophobicContact CG2-CD2 4.23Å; T181-F229 HydrophobicContact CG2-CE1 3.58Å; T181-F229 HydrophobicContact CG2-CE2 3.99Å; T181-F229 HydrophobicContact CG2-CG 4.16Å; T181-F229 HydrophobicContact CG2-CZ 3.65Å; T181-Y234 HydrophobicContact CG2-CG 4.15Å
182	K	91.5	Very high	95.4	Very high	126 Å²	126	30.4 Å²	30.4	55%	0.548	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.9	-179.5	-79.4	-173.4	175.7	176.4	0	113.1	G137 A184 P231	G137-K182 WeakPolarHBondContact CA-O 3.5Å; G137-K182 PolarHBondContact N-O 3.08Å; K182-A184 PolarHBondContact O-N 3.32Å; K182-P231 HydrophobicContact CD-CB 4.39Å; K182-P231 VanDerWaalsContact CE-CB 3.48Å; K182-P231 VanDerWaalsContact NZ-CB 3.33Å
183	D	91.5	Very high	95.4	Very high	84 Å²	84	28 Å²	28	45%	0.449	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	3.8	176.5	68.7	-13	0	0	0	113.5	T181 R185	T181-D183 VanDerWaalsContact CB-OD1 3.23Å; T181-D183 WeakPolarHBondContact CB-OD1 3.35Å; T181-D183 PolarHBondContact O-N 3.38Å; T181-D183 PolarHBondContact OG1-OD1 3.36Å; D183-R185 PolarHBondContact O-N 2.84Å; D183-R185 WeakPolarHBondContact OD1-CB 3.32Å; D183-R185 PolarHBondContact OD1-N 2.88Å; D183-R185 VanDerWaalsContact OD1-N 3.13Å; D183-R185 WeakPolarHBondContact OD2-CB 3.28Å
184	A	93.5	Very high	95.2	Very high	6 Å²	6	26.4 Å²	26.4	5%	0.05	14%	0.143	C	C	.	.	S	Bend	trans	57.1	13.1	-176.5	0	0	0	0	0	115.1	W141 L180 T181 K182 W204	W141-A184 HydrophobicContact CB-CB 4.44Å; W141-A184 HydrophobicContact CG-CB 4.19Å; L180-A184 HydrophobicContact CD2-CB 4.13Å; L180-A184 HydrophobicContact CG-CB 4.45Å; T181-A184 WeakPolarHBondContact O-CA 3.43Å; T181-A184 PolarHBondContact O-N 3.49Å; K182-A184 PolarHBondContact O-N 3.32Å; A184-W204 VanDerWaalsContact O-CE2 3.29Å; A184-W204 WeakPolarHBondContact O-CZ2 3.25Å; A184-W204 PolarHBondContact O-NE1 3.23Å
185	R	92.7	Very high	94.9	Very high	110 Å²	110	31.1 Å²	31.1	42%	0.415	17%	0.171	S	C	.	.			trans	-74.7	-35.8	-175.2	-175.3	175.5	169.4	-177.2	-0.8	113.2	T181 D183	T181-R185 PolarHBondContact OG1-N 3.02Å; T181-R185 VanDerWaalsContact OG1-N 3.13Å; D183-R185 PolarHBondContact O-N 2.84Å; D183-R185 WeakPolarHBondContact OD1-CB 3.32Å; D183-R185 PolarHBondContact OD1-N 2.88Å; D183-R185 VanDerWaalsContact OD1-N 3.13Å; D183-R185 WeakPolarHBondContact OD2-CB 3.28Å
186	Y	95.2	Very high	94.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	19%	0.191	C	C	.	.			trans	-127.2	145.6	-176.3	-60.1	-84.3	0	0	0	111.6	L180 T181 I201 W202 N203 Y234 W250 N252	L180-Y186 WeakPolarHBondContact CD1-O 3.41Å; T181-Y186 PolarHBondContact N-O 3.49Å; T181-Y186 PolarHBondContact OG1-N 2.82Å; T181-Y186 VanDerWaalsContact OG1-N 3.09Å; T181-Y186 PolarHBondContact OG1-O 2.74Å; Y186-I201 HydrophobicContact CD1-CG2 4.19Å; Y186-I201 HydrophobicContact CG-CG2 4.49Å; Y186-W202 WeakPolarHBondContact CA-O 3.45Å; Y186-N203 HydrophobicContact CD1-CB 4.27Å; Y186-N203 HydrophobicContact CE1-CB 4.15Å; Y186-Y234 HydrophobicContact CD2-CD2 4.3Å; Y186-Y234 HydrophobicContact CD2-CE2 4.07Å; Y186-Y234 AromaticContact CE2-CE2 3.87Å; Y186-Y234 HydrophobicContact CE2-CE2 3.87Å; Y186-W250 AromaticContact CD1-CH2 3.7Å; Y186-W250 HydrophobicContact CD1-CH2 3.7Å; Y186-W250 HydrophobicContact CD1-CZ3 4.33Å; Y186-W250 AromaticContact CD2-CH2 3.69Å; Y186-W250 HydrophobicContact CD2-CH2 3.69Å; Y186-W250 HydrophobicContact CD2-CZ2 4.25Å; Y186-W250 AromaticContact CE1-CH2 3.77Å; Y186-W250 HydrophobicContact CE1-CH2 3.77Å; Y186-W250 HydrophobicContact CE1-CZ3 4.1Å; Y186-W250 AromaticContact CE2-CH2 3.78Å; Y186-W250 HydrophobicContact CE2-CH2 3.78Å; Y186-W250 AromaticContact CG-CH2 3.65Å; Y186-W250 HydrophobicContact CG-CH2 3.65Å; Y186-W250 HydrophobicContact CG-CZ2 4.22Å; Y186-W250 AromaticContact CZ-CH2 3.81Å; Y186-N252 VanDerWaalsContact OH-CG 3.25Å; Y186-N252 PolarHBondContact OH-ND2 3.37Å; Y186-N252 PolarHBondContact OH-OD1 2.95Å
187	L	96.6	Very high	94.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.9	175.6	-172	75.9	0	0	0	108.2	T134 A143 V153 V155 I167 V178 A179 L180 T189 I201 W202	T134-L187 HydrophobicContact CG2-CD1 4.5Å; A143-L187 HydrophobicContact CB-CD1 3.72Å; V153-L187 HydrophobicContact CG1-CD2 3.47Å; V153-L187 VanDerWaalsContact CG1-CD2 3.47Å; V155-L187 HydrophobicContact CG2-CD2 4.38Å; I167-L187 HydrophobicContact CD1-CD2 4.25Å; V178-L187 HydrophobicContact CG1-CD1 3.49Å; V178-L187 VanDerWaalsContact CG1-CD1 3.49Å; V178-L187 HydrophobicContact CG1-CD2 4.35Å; V178-L187 HydrophobicContact CG1-CG 3.99Å; A179-L187 CarbonylContact O-C 3.21Å; A179-L187 WeakPolarHBondContact O-CA 3.16Å; L180-L187 HydrophobicContact CB-CD1 4.19Å; L180-L187 HydrophobicContact CD1-CB 4.25Å; L180-L187 HydrophobicContact CD1-CD1 3.67Å; L187-T189 HydrophobicContact CD2-CG2 4.36Å; L187-T189 HydrophobicContact CG-CG2 4.48Å; L187-I201 CarbonylContact O-C 3.6Å; L187-I201 WeakPolarHBondContact O-CA 3.41Å; L187-W202 HydrophobicContact CB-CB 4.27Å; L187-W202 PolarHBondContact N-O 3.26Å; L187-W202 PolarHBondContact O-N 2.85Å
188	A	97.7	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.4	169.6	0	0	0	0	0	109.6	V178 A179 L199 S200 I201 I227 F229	V178-A188 WeakPolarHBondContact CA-O 3.42Å; A179-A188 PolarHBondContact N-O 2.94Å; A179-A188 PolarHBondContact O-N 3.08Å; A188-L199 HydrophobicContact CB-CD1 4.4Å; A188-S200 CarbonylContact C-O 3.53Å; A188-S200 WeakPolarHBondContact CA-O 3.21Å; A188-I201 HydrophobicContact CB-CD1 3.54Å; A188-I227 HydrophobicContact CB-CD1 4.08Å; A188-I227 HydrophobicContact CB-CG2 3.95Å; A188-F229 HydrophobicContact CB-CE2 3.57Å; A188-F229 HydrophobicContact CB-CZ 3.58Å
189	T	98.1	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141.9	176.1	62.5	0	0	0	0	109.8	V153 H171 S177 V178 L187 S200 W202	V153-T189 HydrophobicContact CG1-CG2 4.37Å; V153-T189 HydrophobicContact CG2-CG2 3.97Å; H171-T189 PolarHBondContact NE2-O 3.19Å; H171-T189 PolarHBondContact NE2-OG1 2.99Å; S177-T189 WeakPolarHBondContact O-CA 3.36Å; V178-T189 HydrophobicContact CG2-CG2 4.46Å; L187-T189 HydrophobicContact CD2-CG2 4.36Å; L187-T189 HydrophobicContact CG-CG2 4.48Å; T189-S200 PolarHBondContact N-O 2.84Å; T189-S200 PolarHBondContact O-N 2.89Å; T189-S200 PolarHBondContact OG1-O 3.42Å; T189-W202 PolarHBondContact OG1-NE1 3Å
190	L	97.7	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.5	178.8	-175.7	67.8	0	0	0	110.1	V175 V176 S177 Q197 L199 I217 Q224 I227 T239	V175-L190 WeakPolarHBondContact CA-O 3.47Å; V176-L190 PolarHBondContact N-O 2.8Å; S177-L190 PolarHBondContact O-N 2.9Å; L190-Q197 HydrophobicContact CD1-CG 4.21Å; L190-L199 HydrophobicContact CD1-CB 4.43Å; L190-I217 HydrophobicContact CD1-CD1 3.64Å; L190-Q224 HydrophobicContact CD1-CB 4.3Å; L190-Q224 HydrophobicContact CD2-CB 3.77Å; L190-Q224 VanDerWaalsContact CD2-O 3.31Å; L190-Q224 WeakPolarHBondContact CD2-O 3.4Å; L190-I227 HydrophobicContact CB-CD1 3.55Å; L190-I227 HydrophobicContact CB-CG1 3.85Å; L190-I227 HydrophobicContact CD2-CG1 4.3Å; L190-T239 HydrophobicContact CD1-CG2 4.42Å
191	G	96.9	Very high	94.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	157.6	-178.4	0	0	0	0	0	113.9	H171 G174 V176 Q197 S198	H171-G191 PolarHBondContact CE1-N 3.34Å; H171-G191 VanDerWaalsContact ND1-CA 3.35Å; H171-G191 WeakPolarHBondContact ND1-CA 3.35Å; G174-G191 CarbonylContact O-C 3.53Å; G174-G191 WeakPolarHBondContact O-CA 3.15Å; V176-G191 WeakPolarHBondContact CG2-O 3.39Å; G191-Q197 VanDerWaalsContact O-CG 3.27Å; G191-Q197 WeakPolarHBondContact O-CG 3.5Å; G191-Q197 PolarHBondContact O-NE2 3.18Å; G191-S198 PolarHBondContact N-O 2.87Å
192	A	94.7	Very high	94.2	Very high	32 Å²	32	33.1 Å²	33.1	26%	0.264	18%	0.18	S	C	.	.			trans	-94.9	3.8	178	0	0	0	0	0	114.7	G174 V176 S194	G174-A192 WeakPolarHBondContact O-CB 3.37Å; G174-A192 PolarHBondContact O-N 3.07Å; V176-A192 VanDerWaalsContact CG2-CA 3.44Å; V176-A192 HydrophobicContact CG2-CB 3.58Å; A192-S194 PolarHBondContact O-N 3.24Å
193	D	92.8	Very high	94.3	Very high	33 Å²	33	28.9 Å²	28.9	18%	0.176	16%	0.163	C	C	.	.			trans	-68.6	122.9	176.5	-164.2	-35.2	0	0	0	110.4	Y173 V195 D196 Q197	Y173-D193 HydrophobicContact CD2-CB 3.83Å; Y173-D193 WeakPolarHBondContact CD2-OD2 3.16Å; Y173-D193 HydrophobicContact CE2-CB 4.46Å; Y173-D193 WeakPolarHBondContact CE2-OD2 3.22Å; D193-V195 PolarHBondContact OD1-N 3Å; D193-D196 PolarHBondContact OD1-N 2.77Å; D193-Q197 WeakPolarHBondContact O-CA 3.42Å; D193-Q197 WeakPolarHBondContact O-CB 3.22Å; D193-Q197 PolarHBondContact O-N 3.46Å
194	S	87.2	Confident	94.4	Very high	101 Å²	101	25.7 Å²	25.7	71%	0.706	15%	0.145	S	C	*	.	S	Bend	trans	-79.7	-18.1	179.5	60.1	0	0	0	0	113.8	A192	A192-S194 PolarHBondContact O-N 3.24Å
195	V	87.6	Confident	94.3	Very high	98 Å²	98	29.9 Å²	29.9	59%	0.594	17%	0.169	S	C	*	.	S	Bend	trans	-96.5	-49.8	-179.1	-177.9	0	0	0	0	110	D193	D193-V195 PolarHBondContact OD1-N 3Å
196	D	87.3	Confident	94	Very high	78 Å²	78	27.8 Å²	27.8	42%	0.417	17%	0.172	S	C	.	.	S	Bend	trans	-122.3	52.9	-172.9	-96.9	19.6	0	0	0	110.8	D193 S198 K216	D193-D196 PolarHBondContact OD1-N 2.77Å; D196-S198 PolarHBondContact O-N 2.96Å; D196-K216 IonicContact OD2-NZ 3.17Å; D196-K216 PolarHBondContact OD2-NZ 2.97Å
197	Q	95.1	Very high	93.2	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.033	20%	0.198	C	C	.	.			trans	-58.8	141.5	179.8	-158.9	179.2	34.3	0	0	110.8	L190 G191 D193 I217 F223 Q224	L190-Q197 HydrophobicContact CD1-CG 4.21Å; G191-Q197 VanDerWaalsContact O-CG 3.27Å; G191-Q197 WeakPolarHBondContact O-CG 3.5Å; G191-Q197 PolarHBondContact O-NE2 3.18Å; D193-Q197 WeakPolarHBondContact O-CA 3.42Å; D193-Q197 WeakPolarHBondContact O-CB 3.22Å; D193-Q197 PolarHBondContact O-N 3.46Å; Q197-I217 HydrophobicContact CB-CB 4.24Å; Q197-I217 HydrophobicContact CB-CD1 4.33Å; Q197-I217 HydrophobicContact CG-CD1 4.12Å; Q197-I217 WeakPolarHBondContact O-CB 3.47Å; Q197-I217 PolarHBondContact O-N 2.93Å; Q197-F223 HydrophobicContact CG-CE2 4.37Å; Q197-Q224 PolarHBondContact NE2-O 3.37Å
198	S	95.5	Very high	92.7	Very high	10 Å²	10	32.9 Å²	32.9	7%	0.07	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.1	177.9	80.5	0	0	0	0	112.9	H171 G191 D196 Q214 V215	H171-S198 PolarHBondContact CE1-O 3.26Å; H171-S198 VanDerWaalsContact CE1-O 3.28Å; H171-S198 PolarHBondContact CE1-OG 3.29Å; H171-S198 PolarHBondContact ND1-OG 3.26Å; G191-S198 PolarHBondContact N-O 2.87Å; D196-S198 PolarHBondContact O-N 2.96Å; S198-Q214 PolarHBondContact OG-NE2 2.86Å; S198-V215 WeakPolarHBondContact CA-O 3.4Å
199	L	97.1	Very high	92.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.7	171	174.2	67.7	0	0	0	108.1	A188 L190 Q214 V215 I227 T239 Y248	A188-L199 HydrophobicContact CB-CD1 4.4Å; L190-L199 HydrophobicContact CD1-CB 4.43Å; L199-Q214 CarbonylContact O-C 3.6Å; L199-Q214 VanDerWaalsContact O-CA 3.31Å; L199-Q214 WeakPolarHBondContact O-CA 3.31Å; L199-V215 HydrophobicContact CB-CG1 4.03Å; L199-V215 HydrophobicContact CD2-CG1 4.49Å; L199-V215 PolarHBondContact N-O 2.97Å; L199-V215 PolarHBondContact O-N 3.41Å; L199-I227 HydrophobicContact CD1-CD1 3.95Å; L199-I227 HydrophobicContact CD1-CG1 4.28Å; L199-T239 HydrophobicContact CD1-CG2 4.45Å; L199-T239 HydrophobicContact CD2-CG2 4.45Å; L199-Y248 HydrophobicContact CD2-CD1 3.77Å; L199-Y248 HydrophobicContact CD2-CD2 3.8Å; L199-Y248 HydrophobicContact CD2-CE1 3.79Å; L199-Y248 HydrophobicContact CD2-CE2 3.85Å; L199-Y248 HydrophobicContact CD2-CG 3.76Å
200	S	96.5	Very high	91.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.4	179.8	-59.5	0	0	0	0	110.5	H171 A188 T189 Q214	H171-S200 PolarHBondContact CE1-OG 2.83Å; A188-S200 CarbonylContact C-O 3.53Å; A188-S200 WeakPolarHBondContact CA-O 3.21Å; T189-S200 PolarHBondContact N-O 2.84Å; T189-S200 PolarHBondContact O-N 2.89Å; T189-S200 PolarHBondContact OG1-O 3.42Å; S200-Q214 VanDerWaalsContact OG-CG 3.32Å; S200-Q214 WeakPolarHBondContact OG-CG 3.4Å; S200-Q214 PolarHBondContact OG-NE2 3.03Å
201	I	96.6	Very high	91.6	Very high	0 Å²	0	46 Å²	46	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.7	172.8	-51.1	-57.2	0	0	0	108.5	Y186 L187 A188 P211 H212 C213 F229 I237 W250 I257	Y186-I201 HydrophobicContact CD1-CG2 4.19Å; Y186-I201 HydrophobicContact CG-CG2 4.49Å; L187-I201 CarbonylContact O-C 3.6Å; L187-I201 WeakPolarHBondContact O-CA 3.41Å; A188-I201 HydrophobicContact CB-CD1 3.54Å; I201-P211 CarbonylContact O-C 3.52Å; I201-H212 WeakPolarHBondContact O-CA 3.43Å; I201-H212 VanDerWaalsContact O-CB 3.31Å; I201-H212 WeakPolarHBondContact O-CB 3.49Å; I201-H212 PolarHBondContact O-N 3.06Å; I201-C213 PolarHBondContact N-O 3.03Å; I201-C213 PolarHBondContact O-N 3.44Å; I201-F229 HydrophobicContact CD1-CZ 4.48Å; I201-I237 HydrophobicContact CD1-CD1 3.31Å; I201-I237 HydrophobicContact CG1-CD1 4.25Å; I201-W250 HydrophobicContact CG2-CH2 3.97Å; I201-W250 HydrophobicContact CG2-CZ2 3.99Å; I201-W250 HydrophobicContact CG2-CZ3 4.25Å; I201-I257 HydrophobicContact CG1-CD1 4.02Å
202	W	95.8	Very high	91.3	Very high	8 Å²	8	48.2 Å²	48.2	3%	0.03	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.7	-175	-50.9	84.1	0	0	0	109.7	I167 P170 Y186 L187 T189 W204 L210 P211	I167-W202 HydrophobicContact CD1-CB 4.27Å; I167-W202 HydrophobicContact CD1-CD2 4.02Å; I167-W202 HydrophobicContact CD1-CE3 4.08Å; I167-W202 HydrophobicContact CD1-CG 4.1Å; I167-W202 HydrophobicContact CG2-CD2 4.5Å; I167-W202 HydrophobicContact CG2-CE3 4.08Å; I167-W202 HydrophobicContact CG2-CH2 3.86Å; I167-W202 HydrophobicContact CG2-CZ2 4.29Å; I167-W202 HydrophobicContact CG2-CZ3 3.73Å; P170-W202 HydrophobicContact CB-CH2 4.18Å; P170-W202 HydrophobicContact CB-CZ2 3.69Å; Y186-W202 WeakPolarHBondContact CA-O 3.45Å; L187-W202 HydrophobicContact CB-CB 4.27Å; L187-W202 PolarHBondContact N-O 3.26Å; L187-W202 PolarHBondContact O-N 2.85Å; T189-W202 PolarHBondContact OG1-NE1 3Å; W202-W204 PolarHBondContact O-N 2.77Å; W202-L210 VanDerWaalsContact CZ3-C 3.44Å; W202-P211 HydrophobicContact CD2-CB 4.15Å; W202-P211 HydrophobicContact CE3-CB 4.09Å; W202-P211 HydrophobicContact CH2-CB 4.08Å; W202-P211 HydrophobicContact CH2-CG 4.32Å; W202-P211 HydrophobicContact CZ2-CB 4.13Å; W202-P211 HydrophobicContact CZ3-CB 4.06Å; W202-P211 HydrophobicContact CZ3-CG 4.49Å; W202-P211 VanDerWaalsContact CZ3-N 3.27Å
203	N	93.9	Very high	91.3	Very high	36 Å²	36	47 Å²	47	19%	0.193	29%	0.287	C	S	.	.			trans	-86.7	86.4	155.6	-176.8	-9.8	0	0	0	107.8	Y186 T205 S206	Y186-N203 HydrophobicContact CD1-CB 4.27Å; Y186-N203 HydrophobicContact CE1-CB 4.15Å; N203-T205 PolarHBondContact O-N 3.37Å; N203-T205 VanDerWaalsContact O-N 3.14Å; N203-T205 PolarHBondContact OD1-N 2.83Å; N203-T205 PolarHBondContact OD1-OG1 2.9Å; N203-S206 WeakPolarHBondContact O-CB 3.39Å; N203-S206 PolarHBondContact O-N 3.46Å; N203-S206 PolarHBondContact O-OG 3.42Å; N203-S206 PolarHBondContact OD1-N 2.97Å
204	W	93.3	Very high	91.4	Very high	18 Å²	18	49.8 Å²	49.8	7%	0.068	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-66.3	-16.1	-173.1	65.6	-90.8	0	0	0	113.2	W141 V155 V164 R165 I167 A184 W202	W141-W204 AromaticContact CD2-CH2 3.99Å; W141-W204 HydrophobicContact CD2-CH2 3.99Å; W141-W204 HydrophobicContact CD2-CZ2 4.41Å; W141-W204 HydrophobicContact CE3-CH2 4.06Å; W141-W204 HydrophobicContact CG-CH2 4.48Å; W141-W204 HydrophobicContact CG-CZ2 4.44Å; W141-W204 HydrophobicContact CZ2-CH2 4.45Å; W141-W204 HydrophobicContact CZ3-CH2 4.31Å; V155-W204 HydrophobicContact CB-CE3 4.34Å; V155-W204 HydrophobicContact CG1-CD2 4.36Å; V155-W204 HydrophobicContact CG1-CE3 4.12Å; V155-W204 HydrophobicContact CG1-CH2 4.1Å; V155-W204 HydrophobicContact CG1-CZ2 4.35Å; V155-W204 HydrophobicContact CG1-CZ3 3.98Å; V155-W204 HydrophobicContact CG2-CD2 4.2Å; V155-W204 HydrophobicContact CG2-CE3 4.26Å; V155-W204 HydrophobicContact CG2-CG 4.32Å; V164-W204 HydrophobicContact CG1-CZ3 4.48Å; R165-W204 HydrophobicContact CB-CE3 4.17Å; R165-W204 PolarHBondContact NH1-O 3.27Å; I167-W204 HydrophobicContact CD1-CB 4.45Å; A184-W204 VanDerWaalsContact O-CE2 3.29Å; A184-W204 WeakPolarHBondContact O-CZ2 3.25Å; A184-W204 PolarHBondContact O-NE1 3.23Å; W202-W204 PolarHBondContact O-N 2.77Å
205	T	92.4	Very high	91.7	Very high	93 Å²	93	46.3 Å²	46.3	57%	0.571	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-82.2	-17.1	174.3	66.4	0	0	0	0	113.9	N203 G207	N203-T205 PolarHBondContact O-N 3.37Å; N203-T205 VanDerWaalsContact O-N 3.14Å; N203-T205 PolarHBondContact OD1-N 2.83Å; N203-T205 PolarHBondContact OD1-OG1 2.9Å; T205-G207 PolarHBondContact O-N 3.27Å; T205-G207 VanDerWaalsContact O-N 3.15Å
206	S	85.5	Confident	92	Very high	66 Å²	66	48.3 Å²	48.3	46%	0.462	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-74.6	-1.1	-173.9	67	0	0	0	0	115.3	N203 S208	N203-S206 WeakPolarHBondContact O-CB 3.39Å; N203-S206 PolarHBondContact O-N 3.46Å; N203-S206 PolarHBondContact O-OG 3.42Å; N203-S206 PolarHBondContact OD1-N 2.97Å; S206-S208 PolarHBondContact O-N 3.42Å
207	G	78.2	Confident	92.2	Very high	55 Å²	55	45.2 Å²	45.2	57%	0.567	26%	0.257	S	S	*	.			trans	65	-7.3	-173.8	0	0	0	0	0	115	T205	T205-G207 PolarHBondContact O-N 3.27Å; T205-G207 VanDerWaalsContact O-N 3.15Å
208	S	86.2	Confident	91.7	Very high	54 Å²	54	47.9 Å²	47.9	38%	0.378	28%	0.276	S	S	.	.			trans	-72.9	135	178.6	-175	0	0	0	0	111.4	R165 S206 L210	R165-S208 VanDerWaalsContact NH2-C 3.31Å; R165-S208 PolarHBondContact NH2-O 2.83Å; S206-S208 PolarHBondContact O-N 3.42Å; S208-L210 VanDerWaalsContact C-N 3.3Å; S208-L210 PolarHBondContact OG-N 3.37Å
209	D	86.9	Confident	90.8	Very high	112 Å²	112	50.3 Å²	50.3	60%	0.599	30%	0.303	S	S	*	.	S	Bend	trans	-88.1	3.2	175.1	-62.4	-35	0	0	0	113.3	R165	R165-D209 IonicContact CZ-OD1 2.74Å; R165-D209 IonicContact NH2-OD1 3.07Å; R165-D209 PolarHBondContact NH2-OD1 2.81Å
210	L	90.9	Very high	90.1	Very high	131 Å²	131	59 Å²	59	69%	0.686	34%	0.344	S	S	*	.	S	Bend	trans	-102.1	148.2	173.7	-68.4	170.3	0	0	0	110.2	W202 S208	W202-L210 VanDerWaalsContact CZ3-C 3.44Å; S208-L210 VanDerWaalsContact C-N 3.3Å; S208-L210 PolarHBondContact OG-N 3.37Å
211	P	92.8	Very high	89.6	Confident	33 Å²	33	61.3 Å²	61.3	21%	0.214	36%	0.356	C	S	.	.			trans	-63.5	146.6	174	28.3	-34.2	0	0	0	110.1	I201 W202 C213 Q214	I201-P211 CarbonylContact O-C 3.52Å; W202-P211 HydrophobicContact CD2-CB 4.15Å; W202-P211 HydrophobicContact CE3-CB 4.09Å; W202-P211 HydrophobicContact CH2-CB 4.08Å; W202-P211 HydrophobicContact CH2-CG 4.32Å; W202-P211 HydrophobicContact CZ2-CB 4.13Å; W202-P211 HydrophobicContact CZ3-CB 4.06Å; W202-P211 HydrophobicContact CZ3-CG 4.49Å; W202-P211 VanDerWaalsContact CZ3-N 3.27Å; P211-C213 VanDerWaalsContact C-N 3.35Å; P211-Q214 HydrophobicContact CB-CB 4.44Å; P211-Q214 HydrophobicContact CG-CB 4.12Å
212	H	92.1	Very high	89.2	Confident	48 Å²	48	62.5 Å²	62.5	22%	0.222	36%	0.364	C	S	.	.	S	Bend	trans	-62.8	-45.8	175.2	179.1	66.8	0	0	0	111	I201 N252	I201-H212 WeakPolarHBondContact O-CA 3.43Å; I201-H212 VanDerWaalsContact O-CB 3.31Å; I201-H212 WeakPolarHBondContact O-CB 3.49Å; I201-H212 PolarHBondContact O-N 3.06Å; H212-N252 PolarHBondContact NE2-OD1 3.01Å
213	C	93.9	Very high	89.1	Confident	6 Å²	6	65.9 Å²	65.9	4%	0.041	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	154.8	169.3	52.5	0	0	0	0	109.4	I201 P211 K255 I257	I201-C213 PolarHBondContact N-O 3.03Å; I201-C213 PolarHBondContact O-N 3.44Å; P211-C213 VanDerWaalsContact C-N 3.35Å; C213-K255 WeakPolarHBondContact CB-O 3.42Å; C213-I257 HydrophobicContact CB-CD1 4.16Å; C213-I257 HydrophobicContact CB-CG1 4.03Å
214	Q	94.4	Very high	89.2	Confident	92 Å²	92	64.1 Å²	64.1	43%	0.43	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.1	-177.3	-179.7	177.1	21	0	0	109.7	S198 L199 S200 P211	S198-Q214 PolarHBondContact OG-NE2 2.86Å; L199-Q214 CarbonylContact O-C 3.6Å; L199-Q214 VanDerWaalsContact O-CA 3.31Å; L199-Q214 WeakPolarHBondContact O-CA 3.31Å; S200-Q214 VanDerWaalsContact OG-CG 3.32Å; S200-Q214 WeakPolarHBondContact OG-CG 3.4Å; S200-Q214 PolarHBondContact OG-NE2 3.03Å; P211-Q214 HydrophobicContact CB-CB 4.44Å; P211-Q214 HydrophobicContact CG-CB 4.12Å
215	V	94.9	Very high	89.3	Confident	27 Å²	27	66.1 Å²	66.1	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.2	172.8	62.5	0	0	0	0	110.5	S198 L199 Y248 I257	S198-V215 WeakPolarHBondContact CA-O 3.4Å; L199-V215 HydrophobicContact CB-CG1 4.03Å; L199-V215 HydrophobicContact CD2-CG1 4.49Å; L199-V215 PolarHBondContact N-O 2.97Å; L199-V215 PolarHBondContact O-N 3.41Å; V215-Y248 HydrophobicContact CG1-CD1 4.08Å; V215-Y248 HydrophobicContact CG1-CE1 3.9Å; V215-I257 HydrophobicContact CB-CB 3.93Å; V215-I257 HydrophobicContact CB-CD1 4.29Å; V215-I257 HydrophobicContact CB-CG2 4.45Å; V215-I257 HydrophobicContact CG1-CB 3.89Å; V215-I257 HydrophobicContact CG1-CD1 3.98Å; V215-I257 HydrophobicContact CG1-CG1 4.49Å; V215-I257 HydrophobicContact CG1-CG2 3.89Å
216	K	93.2	Very high	89.4	Confident	141 Å²	141	64.5 Å²	64.5	61%	0.613	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.4	169.7	-70.4	-167.3	171.5	-160.6	0	109.6	D196	D196-K216 IonicContact OD2-NZ 3.17Å; D196-K216 PolarHBondContact OD2-NZ 2.97Å
217	I	91.9	Very high	89.9	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.067	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-86.5	125.8	174.6	-57.2	173.4	0	0	0	106.4	L190 Q197 G219 L221 Q224 I246 Y248	L190-I217 HydrophobicContact CD1-CD1 3.64Å; Q197-I217 HydrophobicContact CB-CB 4.24Å; Q197-I217 HydrophobicContact CB-CD1 4.33Å; Q197-I217 HydrophobicContact CG-CD1 4.12Å; Q197-I217 WeakPolarHBondContact O-CB 3.47Å; Q197-I217 PolarHBondContact O-N 2.93Å; I217-G219 PolarHBondContact O-N 3.25Å; I217-L221 HydrophobicContact CG2-CB 4.31Å; I217-L221 HydrophobicContact CG2-CD1 4.1Å; I217-Q224 HydrophobicContact CD1-CB 4.42Å; I217-Q224 HydrophobicContact CD1-CG 4.04Å; I217-I246 HydrophobicContact CG2-CD1 3.65Å; I217-Y248 WeakPolarHBondContact CD1-OH 3.34Å
218	S	82.8	Confident	90.8	Very high	62 Å²	62	59.8 Å²	59.8	43%	0.434	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58.2	133.3	-179.8	-179.9	0	0	0	0	110.8	E220 L221	S218-E220 PolarHBondContact O-N 3.3Å; S218-E220 VanDerWaalsContact O-N 3.07Å; S218-E220 PolarHBondContact OG-N 3.02Å; S218-L221 WeakPolarHBondContact O-CB 3.32Å; S218-L221 PolarHBondContact O-N 3.16Å
219	G	78.2	Confident	91.2	Very high	61 Å²	61	58.2 Å²	58.2	63%	0.629	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.6	177.3	0	0	0	0	0	114.7	I217 L221	I217-G219 PolarHBondContact O-N 3.25Å; G219-L221 VanDerWaalsContact C-N 3.29Å
220	E	82.2	Confident	91.6	Very high	182 Å²	182	53 Å²	53	85%	0.85	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.6	170.3	-62.9	-178	169.2	0	0	113	S218	S218-E220 PolarHBondContact O-N 3.3Å; S218-E220 VanDerWaalsContact O-N 3.07Å; S218-E220 PolarHBondContact OG-N 3.02Å
221	L	86	Confident	91.5	Very high	50 Å²	50	48.1 Å²	48.1	26%	0.262	26%	0.261	S	S	.	.	S	Bend	trans	-86.9	155	179.1	-58.4	172.8	0	0	0	110.3	I217 S218 G219 Q244 I246 A261	I217-L221 HydrophobicContact CG2-CB 4.31Å; I217-L221 HydrophobicContact CG2-CD1 4.1Å; S218-L221 WeakPolarHBondContact O-CB 3.32Å; S218-L221 PolarHBondContact O-N 3.16Å; G219-L221 VanDerWaalsContact C-N 3.29Å; L221-Q244 VanDerWaalsContact CA-OE1 3.25Å; L221-I246 HydrophobicContact CB-CD1 4.41Å; L221-I246 HydrophobicContact CD1-CD1 3.66Å; L221-I246 HydrophobicContact CD1-CG1 4.42Å; L221-A261 HydrophobicContact CD1-CB 4.36Å; L221-A261 HydrophobicContact CD2-CB 3.88Å
222	S	87.9	Confident	91.3	Very high	24 Å²	24	50.2 Å²	50.2	17%	0.168	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.1	176.7	66.6	0	0	0	0	111.3	Q224 Q244	S222-Q224 PolarHBondContact O-N 3.25Å; S222-Q224 PolarHBondContact O-NE2 3.12Å; S222-Q224 PolarHBondContact OG-NE2 3.37Å; S222-Q244 VanDerWaalsContact N-OE1 3.12Å; S222-Q244 PolarHBondContact OG-N 2.86Å
223	F	93.4	Very high	91.3	Very high	79 Å²	79	50.2 Å²	50.2	35%	0.346	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-55	126.5	173.8	-174.6	-101.6	0	0	0	111.3	V176 Q197 T225 G241	V176-F223 HydrophobicContact CG1-CE1 4.34Å; V176-F223 HydrophobicContact CG2-CE1 4.14Å; V176-F223 HydrophobicContact CG2-CZ 3.69Å; Q197-F223 HydrophobicContact CG-CE2 4.37Å; F223-T225 HydrophobicContact CD1-CG2 4Å; F223-T225 HydrophobicContact CE1-CG2 4.31Å; F223-G241 WeakPolarHBondContact O-CA 3.3Å
224	Q	95.8	Very high	91.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	141.6	-178.2	-57.1	-62.3	-52.7	0	0	109.9	L190 Q197 I217 S222 T239 N240 Q244 I246	L190-Q224 HydrophobicContact CD1-CB 4.3Å; L190-Q224 HydrophobicContact CD2-CB 3.77Å; L190-Q224 VanDerWaalsContact CD2-O 3.31Å; L190-Q224 WeakPolarHBondContact CD2-O 3.4Å; Q197-Q224 PolarHBondContact NE2-O 3.37Å; I217-Q224 HydrophobicContact CD1-CB 4.42Å; I217-Q224 HydrophobicContact CD1-CG 4.04Å; S222-Q224 PolarHBondContact O-N 3.25Å; S222-Q224 PolarHBondContact O-NE2 3.12Å; S222-Q224 PolarHBondContact OG-NE2 3.37Å; Q224-T239 WeakPolarHBondContact CG-OG1 3.48Å; Q224-T239 PolarHBondContact OE1-O 2.8Å; Q224-T239 VanDerWaalsContact OE1-O 3.09Å; Q224-T239 PolarHBondContact OE1-OG1 3.46Å; Q224-T239 VanDerWaalsContact OE1-OG1 3.07Å; Q224-N240 VanDerWaalsContact OE1-N 3.16Å; Q224-Q244 PolarHBondContact NE2-O 2.86Å; Q224-Q244 PolarHBondContact OE1-O 3.03Å; Q224-I246 HydrophobicContact CG-CD1 3.83Å
225	T	94.9	Very high	91.1	Very high	60 Å²	60	51.1 Å²	51.1	37%	0.368	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-23.6	-170.5	59.2	0	0	0	0	114	S177 F223 N240	S177-T225 WeakPolarHBondContact CB-O 3.33Å; F223-T225 HydrophobicContact CD1-CG2 4Å; F223-T225 HydrophobicContact CE1-CG2 4.31Å; T225-N240 PolarHBondContact N-O 2.88Å; T225-N240 PolarHBondContact OG1-O 2.97Å
226	K	94.7	Very high	91	Very high	59 Å²	59	50.2 Å²	50.2	26%	0.257	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.3	-175.1	-164.5	166.1	-174.4	175.4	0	111.7	T239 N240 C278	K226-T239 CarbonylContact O-C 3.56Å; K226-T239 WeakPolarHBondContact O-CA 3.5Å; K226-N240 HydrophobicContact CB-CB 4.42Å; K226-N240 PolarHBondContact N-O 3.23Å; K226-N240 PolarHBondContact O-N 3.33Å; K226-C278 HydrophobicContact CD-CB 4.47Å
227	I	96.8	Very high	91.2	Very high	9 Å²	9	43.5 Å²	43.5	5%	0.046	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.5	174.5	-56.1	166	0	0	0	109.9	S177 A179 A188 L190 L199 I237 T239	S177-I227 WeakPolarHBondContact O-CD1 3.33Å; S177-I227 PolarHBondContact OG-N 3.34Å; S177-I227 VanDerWaalsContact OG-N 3.15Å; A179-I227 HydrophobicContact CB-CB 3.91Å; A179-I227 HydrophobicContact CB-CG2 3.72Å; A188-I227 HydrophobicContact CB-CD1 4.08Å; A188-I227 HydrophobicContact CB-CG2 3.95Å; L190-I227 HydrophobicContact CB-CD1 3.55Å; L190-I227 HydrophobicContact CB-CG1 3.85Å; L190-I227 HydrophobicContact CD2-CG1 4.3Å; L199-I227 HydrophobicContact CD1-CD1 3.95Å; L199-I227 HydrophobicContact CD1-CG1 4.28Å; I227-I237 HydrophobicContact CG2-CG2 3.56Å; I227-T239 HydrophobicContact CG1-CG2 4.14Å
228	T	96.3	Very high	91.4	Very high	13 Å²	13	43 Å²	43	8%	0.08	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	121.7	171.6	-55.5	0	0	0	0	110.2	I237 S238 T279 Y281	T228-I237 WeakPolarHBondContact O-CA 3.46Å; T228-S238 PolarHBondContact N-O 2.92Å; T228-S238 PolarHBondContact O-N 3.29Å; T228-S238 PolarHBondContact O-OG 3.39Å; T228-T279 PolarHBondContact OG1-O 3.07Å; T228-Y281 HydrophobicContact CG2-CD2 4.11Å
229	F	95.7	Very high	92	Very high	20 Å²	20	40 Å²	40	9%	0.088	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.9	168.4	-82	-80.7	0	0	0	111	A179 T181 A188 I201 P231 Y234 I237	A179-F229 HydrophobicContact CB-CD2 3.78Å; A179-F229 HydrophobicContact CB-CE2 3.89Å; A179-F229 WeakPolarHBondContact O-CE2 3.24Å; T181-F229 HydrophobicContact CG2-CD1 3.85Å; T181-F229 HydrophobicContact CG2-CD2 4.23Å; T181-F229 HydrophobicContact CG2-CE1 3.58Å; T181-F229 HydrophobicContact CG2-CE2 3.99Å; T181-F229 HydrophobicContact CG2-CG 4.16Å; T181-F229 HydrophobicContact CG2-CZ 3.65Å; A188-F229 HydrophobicContact CB-CE2 3.57Å; A188-F229 HydrophobicContact CB-CZ 3.58Å; I201-F229 HydrophobicContact CD1-CZ 4.48Å; F229-P231 WeakPolarHBondContact O-CD 3.21Å; F229-Y234 WeakPolarHBondContact CD1-O 3.29Å; F229-Y234 WeakPolarHBondContact CE1-O 3.14Å; F229-I237 HydrophobicContact CD1-CD1 3.98Å; F229-I237 HydrophobicContact CD1-CG1 3.59Å; F229-I237 HydrophobicContact CE1-CD1 3.37Å; F229-I237 HydrophobicContact CE1-CG1 3.54Å; F229-I237 HydrophobicContact CG-CG1 4.45Å; F229-I237 HydrophobicContact CZ-CD1 3.85Å; F229-I237 HydrophobicContact CZ-CG1 4.35Å
230	N	93.9	Very high	92.8	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	18%	0.183	C	C	.	.			trans	-68.3	123.2	164.2	-179.7	-26.2	0	0	0	108.8	D232 N233 H236 Y281 E313	N230-D232 PolarHBondContact O-N 3.24Å; N230-D232 PolarHBondContact OD1-N 2.95Å; N230-N233 WeakPolarHBondContact CB-O 3.38Å; N230-N233 CarbonylContact O-C 3.38Å; N230-N233 PolarHBondContact O-N 3.42Å; N230-N233 PolarHBondContact OD1-N 2.93Å; N230-H236 HydrophobicContact CB-CB 3.98Å; N230-H236 WeakPolarHBondContact CB-O 3.5Å; N230-H236 PolarHBondContact N-O 3.3Å; N230-Y281 HydrophobicContact CB-CD1 3.89Å; N230-Y281 HydrophobicContact CB-CD2 3.94Å; N230-Y281 HydrophobicContact CB-CE1 3.96Å; N230-Y281 HydrophobicContact CB-CE2 4.03Å; N230-Y281 HydrophobicContact CB-CG 3.87Å; N230-E313 PolarHBondContact ND2-OE1 2.71Å; N230-E313 PolarHBondContact ND2-OE2 2.91Å
231	P	88.9	Confident	93.3	Very high	29 Å²	29	28.5 Å²	28.5	19%	0.188	14%	0.143	C	C	.	.	S	Bend	trans	-65.9	-20.8	-176.5	25.8	-34.3	0	0	0	114.8	K182 F229 P283	K182-P231 HydrophobicContact CD-CB 4.39Å; K182-P231 VanDerWaalsContact CE-CB 3.48Å; K182-P231 VanDerWaalsContact NZ-CB 3.33Å; F229-P231 WeakPolarHBondContact O-CD 3.21Å; P231-P283 HydrophobicContact CG-CB 4.35Å; P231-P283 HydrophobicContact CG-CG 3.98Å
232	D	89.1	Confident	93.6	Very high	76 Å²	76	30.9 Å²	30.9	41%	0.406	15%	0.153	S	C	.	.	S	Bend	trans	-98.4	-29.2	-176.7	-52.1	-34	0	0	0	111.4	N230 P283 D284	N230-D232 PolarHBondContact O-N 3.24Å; N230-D232 PolarHBondContact OD1-N 2.95Å; D232-P283 WeakPolarHBondContact OD2-CA 3.46Å; D232-D284 PolarHBondContact OD2-N 2.78Å
233	N	91.5	Very high	93.7	Very high	49 Å²	49	35 Å²	35	26%	0.262	17%	0.169	S	C	.	.			trans	-142.4	99.2	176.2	-177	1	0	0	0	111.2	N230 Y235 H236	N230-N233 WeakPolarHBondContact CB-O 3.38Å; N230-N233 CarbonylContact O-C 3.38Å; N230-N233 PolarHBondContact O-N 3.42Å; N230-N233 PolarHBondContact OD1-N 2.93Å; N233-Y235 PolarHBondContact O-N 3.47Å; N233-Y235 VanDerWaalsContact OD1-CB 3.28Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.47Å; N233-Y235 WeakPolarHBondContact OD1-CD2 3.29Å; N233-Y235 PolarHBondContact OD1-N 3.14Å; N233-Y235 VanDerWaalsContact OD1-N 3.08Å; N233-H236 PolarHBondContact ND2-CD2 3.26Å; N233-H236 PolarHBondContact ND2-NE2 3.25Å; N233-H236 PolarHBondContact O-N 3.36Å
234	Y	92.2	Very high	93.6	Very high	55 Å²	55	33.8 Å²	33.8	22%	0.216	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.3	-178.2	61.4	-111	0	0	0	114.5	T181 Y186 F229 H236 W250	T181-Y234 HydrophobicContact CG2-CG 4.15Å; Y186-Y234 HydrophobicContact CD2-CD2 4.3Å; Y186-Y234 HydrophobicContact CD2-CE2 4.07Å; Y186-Y234 AromaticContact CE2-CE2 3.87Å; Y186-Y234 HydrophobicContact CE2-CE2 3.87Å; F229-Y234 WeakPolarHBondContact CD1-O 3.29Å; F229-Y234 WeakPolarHBondContact CE1-O 3.14Å; Y234-H236 PolarHBondContact O-N 2.91Å; Y234-W250 HydrophobicContact CD2-CH2 4.27Å; Y234-W250 AromaticContact CD2-CZ2 3.81Å; Y234-W250 HydrophobicContact CD2-CZ2 3.81Å; Y234-W250 HydrophobicContact CE2-CH2 4.29Å; Y234-W250 HydrophobicContact CE2-CZ2 4.27Å; Y234-W250 PolarHBondContact O-NE1 3.26Å
235	Y	92.9	Very high	93.5	Very high	62 Å²	62	33.8 Å²	33.8	24%	0.243	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.8	170.4	-66.1	-62.7	0	0	0	112.9	N233 S249 W250 N252	N233-Y235 PolarHBondContact O-N 3.47Å; N233-Y235 VanDerWaalsContact OD1-CB 3.28Å; N233-Y235 WeakPolarHBondContact OD1-CB 3.47Å; N233-Y235 WeakPolarHBondContact OD1-CD2 3.29Å; N233-Y235 PolarHBondContact OD1-N 3.14Å; N233-Y235 VanDerWaalsContact OD1-N 3.08Å; Y235-S249 WeakPolarHBondContact O-CA 3.14Å; Y235-W250 VanDerWaalsContact CB-O 3.27Å; Y235-W250 WeakPolarHBondContact CB-O 3.49Å; Y235-W250 AromaticContact CD1-CD2 3.95Å; Y235-W250 HydrophobicContact CD1-CD2 3.95Å; Y235-W250 AromaticContact CD1-CE2 3.95Å; Y235-W250 HydrophobicContact CD1-CE3 4.03Å; Y235-W250 HydrophobicContact CD1-CH2 4.14Å; Y235-W250 HydrophobicContact CD1-CZ2 4.06Å; Y235-W250 HydrophobicContact CD1-CZ3 4.13Å; Y235-W250 WeakPolarHBondContact CD1-O 3.29Å; Y235-W250 HydrophobicContact CE1-CE3 4.29Å; Y235-W250 HydrophobicContact CE1-CH2 4.08Å; Y235-W250 HydrophobicContact CE1-CZ2 4.42Å; Y235-W250 HydrophobicContact CE1-CZ3 4.01Å; Y235-W250 PolarHBondContact O-N 3.36Å; Y235-N252 PolarHBondContact OH-ND2 3.43Å
236	H	93.7	Very high	93.6	Very high	8 Å²	8	31 Å²	31	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.1	170.9	-63.1	-68.3	0	0	0	111.5	N230 N233 Y234 Y248 S249 E313	N230-H236 HydrophobicContact CB-CB 3.98Å; N230-H236 WeakPolarHBondContact CB-O 3.5Å; N230-H236 PolarHBondContact N-O 3.3Å; N233-H236 PolarHBondContact ND2-CD2 3.26Å; N233-H236 PolarHBondContact ND2-NE2 3.25Å; N233-H236 PolarHBondContact O-N 3.36Å; Y234-H236 PolarHBondContact O-N 2.91Å; H236-Y248 WeakPolarHBondContact CA-O 3.29Å; H236-S249 PolarHBondContact CE1-OG 3.5Å; H236-E313 IonicContact CD2-OE2 2.68Å; H236-E313 PolarHBondContact CD2-OE2 2.78Å; H236-E313 PolarHBondContact CE1-O 3.03Å; H236-E313 VanDerWaalsContact CE1-O 3.24Å; H236-E313 WeakPolarHBondContact NE2-CB 3.44Å; H236-E313 PolarHBondContact NE2-O 3.01Å
237	I	95.8	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.8	-177.8	-51.8	176.4	0	0	0	107.6	I201 I227 T228 F229 Y248 Y281	I201-I237 HydrophobicContact CD1-CD1 3.31Å; I201-I237 HydrophobicContact CG1-CD1 4.25Å; I227-I237 HydrophobicContact CG2-CG2 3.56Å; T228-I237 WeakPolarHBondContact O-CA 3.46Å; F229-I237 HydrophobicContact CD1-CD1 3.98Å; F229-I237 HydrophobicContact CD1-CG1 3.59Å; F229-I237 HydrophobicContact CE1-CD1 3.37Å; F229-I237 HydrophobicContact CE1-CG1 3.54Å; F229-I237 HydrophobicContact CG-CG1 4.45Å; F229-I237 HydrophobicContact CZ-CD1 3.85Å; F229-I237 HydrophobicContact CZ-CG1 4.35Å; I237-Y248 HydrophobicContact CB-CD2 4.43Å; I237-Y248 PolarHBondContact N-O 3.06Å; I237-Y248 PolarHBondContact O-N 3.47Å; I237-Y281 VanDerWaalsContact C-OH 3.24Å; I237-Y281 PolarHBondContact O-OH 2.8Å
238	S	96.2	Very high	93.5	Very high	1 Å²	1	28 Å²	28	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144	165.6	62	0	0	0	0	110.4	T228 I246 Y281	T228-S238 PolarHBondContact N-O 2.92Å; T228-S238 PolarHBondContact O-N 3.29Å; T228-S238 PolarHBondContact O-OG 3.39Å; S238-I246 CarbonylContact C-O 3.45Å; S238-I246 WeakPolarHBondContact CA-O 3.45Å; S238-Y281 PolarHBondContact N-OH 2.77Å; S238-Y281 WeakPolarHBondContact OG-CE2 3.42Å
239	T	96.8	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.2	163.6	61.5	0	0	0	0	110	L190 L199 Q224 K226 I227 V245 I246 Y248	L190-T239 HydrophobicContact CD1-CG2 4.42Å; L199-T239 HydrophobicContact CD1-CG2 4.45Å; L199-T239 HydrophobicContact CD2-CG2 4.45Å; Q224-T239 WeakPolarHBondContact CG-OG1 3.48Å; Q224-T239 PolarHBondContact OE1-O 2.8Å; Q224-T239 VanDerWaalsContact OE1-O 3.09Å; Q224-T239 PolarHBondContact OE1-OG1 3.46Å; Q224-T239 VanDerWaalsContact OE1-OG1 3.07Å; K226-T239 CarbonylContact O-C 3.56Å; K226-T239 WeakPolarHBondContact O-CA 3.5Å; I227-T239 HydrophobicContact CG1-CG2 4.14Å; T239-V245 WeakPolarHBondContact O-CA 3.08Å; T239-V245 WeakPolarHBondContact O-CG1 3.46Å; T239-I246 PolarHBondContact N-O 3.47Å; T239-I246 PolarHBondContact O-N 3.28Å; T239-Y248 HydrophobicContact CG2-CD2 4.41Å; T239-Y248 HydrophobicContact CG2-CE2 3.55Å; T239-Y248 VanDerWaalsContact OG1-CE2 3.23Å; T239-Y248 WeakPolarHBondContact OG1-CE2 3.45Å; T239-Y248 PolarHBondContact OG1-OH 3.26Å
240	N	94.6	Very high	93.3	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.3	-177.5	-176	96.5	0	0	0	111.1	Q224 T225 K226 F276 S277 T279	Q224-N240 VanDerWaalsContact OE1-N 3.16Å; T225-N240 PolarHBondContact N-O 2.88Å; T225-N240 PolarHBondContact OG1-O 2.97Å; K226-N240 HydrophobicContact CB-CB 4.42Å; K226-N240 PolarHBondContact N-O 3.23Å; K226-N240 PolarHBondContact O-N 3.33Å; N240-F276 PolarHBondContact ND2-O 3.04Å; N240-S277 PolarHBondContact ND2-O 2.84Å; N240-T279 PolarHBondContact OD1-OG1 2.83Å
241	G	93.1	Very high	93.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	175.2	166.3	0	0	0	0	0	111	F223 H243 Q244 F276	F223-G241 WeakPolarHBondContact O-CA 3.3Å; G241-H243 PolarHBondContact O-N 3.25Å; G241-H243 VanDerWaalsContact O-N 3.15Å; G241-Q244 PolarHBondContact N-O 3.28Å; G241-F276 WeakPolarHBondContact O-CB 3.35Å
242	E	90.9	Very high	92.8	Very high	100 Å²	100	30.8 Å²	30.8	47%	0.467	15%	0.152	S	C	.	.	S	Bend	trans	-60	-28.6	-174.5	-68.5	-171	173.1	0	0	114.2	Q275 F276	E242-Q275 HydrophobicContact CB-CG 4.46Å; E242-Q275 CarbonylContact O-C 3.55Å; E242-Q275 WeakPolarHBondContact O-CA 3.08Å; E242-Q275 PolarHBondContact OE2-NE2 3.37Å; E242-F276 PolarHBondContact O-N 3.05Å
243	H	89.9	Confident	92.4	Very high	109 Å²	109	36.1 Å²	36.1	51%	0.505	18%	0.175	S	C	.	.	S	Bend	trans	-128.4	-7.7	-173.5	-58.8	96.7	0	0	0	113.6	G241 F276	G241-H243 PolarHBondContact O-N 3.25Å; G241-H243 VanDerWaalsContact O-N 3.15Å; H243-F276 VanDerWaalsContact C-CE2 3.44Å; H243-F276 VanDerWaalsContact O-CE2 3.31Å; H243-F276 WeakPolarHBondContact O-CE2 3.25Å
244	Q	91.7	Very high	91.5	Very high	54 Å²	54	39.9 Å²	39.9	25%	0.252	19%	0.19	S	C	.	.			trans	-146	139.6	-174.4	-67.6	175.8	-23.5	0	0	110.6	L221 S222 Q224 G241	L221-Q244 VanDerWaalsContact CA-OE1 3.25Å; S222-Q244 VanDerWaalsContact N-OE1 3.12Å; S222-Q244 PolarHBondContact OG-N 2.86Å; Q224-Q244 PolarHBondContact NE2-O 2.86Å; Q224-Q244 PolarHBondContact OE1-O 3.03Å; G241-Q244 PolarHBondContact N-O 3.28Å
245	V	94.9	Very high	90.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135	166.8	-178.9	0	0	0	0	107	T239 F247 P262 F276 T279 T290 W300	T239-V245 WeakPolarHBondContact O-CA 3.08Å; T239-V245 WeakPolarHBondContact O-CG1 3.46Å; V245-F247 HydrophobicContact CB-CE2 4.32Å; V245-F247 HydrophobicContact CB-CZ 4.43Å; V245-F247 HydrophobicContact CG1-CD2 4.41Å; V245-F247 HydrophobicContact CG1-CE1 3.99Å; V245-F247 HydrophobicContact CG1-CE2 3.82Å; V245-F247 HydrophobicContact CG1-CZ 3.59Å; V245-P262 WeakPolarHBondContact O-CD 3.49Å; V245-F276 HydrophobicContact CG2-CD2 3.69Å; V245-F276 HydrophobicContact CG2-CE2 4.03Å; V245-T279 HydrophobicContact CG1-CG2 4.01Å; V245-T279 WeakPolarHBondContact CG2-OG1 3.36Å; V245-T290 HydrophobicContact CG2-CG2 4.05Å; V245-W300 HydrophobicContact CB-CZ2 4.47Å; V245-W300 HydrophobicContact CG2-CZ2 4.13Å
246	I	95.5	Very high	90.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.5	174.5	-49.7	175.3	0	0	0	108.1	I217 L221 Q224 S238 T239 Y248 A259 A261	I217-I246 HydrophobicContact CG2-CD1 3.65Å; L221-I246 HydrophobicContact CB-CD1 4.41Å; L221-I246 HydrophobicContact CD1-CD1 3.66Å; L221-I246 HydrophobicContact CD1-CG1 4.42Å; Q224-I246 HydrophobicContact CG-CD1 3.83Å; S238-I246 CarbonylContact C-O 3.45Å; S238-I246 WeakPolarHBondContact CA-O 3.45Å; T239-I246 PolarHBondContact N-O 3.47Å; T239-I246 PolarHBondContact O-N 3.28Å; I246-Y248 HydrophobicContact CB-CE2 3.66Å; I246-Y248 WeakPolarHBondContact CD1-OH 3.31Å; I246-Y248 HydrophobicContact CG2-CD1 4.36Å; I246-Y248 HydrophobicContact CG2-CD2 4.26Å; I246-Y248 HydrophobicContact CG2-CE1 3.74Å; I246-Y248 HydrophobicContact CG2-CE2 3.59Å; I246-Y248 WeakPolarHBondContact CG2-OH 3.49Å; I246-Y248 VanDerWaalsContact O-CE2 3.31Å; I246-Y248 WeakPolarHBondContact O-CE2 3.41Å; I246-A259 HydrophobicContact CG2-CB 4.09Å; I246-A261 HydrophobicContact CG1-CB 4.12Å
247	F	95.6	Very high	90.5	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.5	175	-65.4	-73.6	0	0	0	109.7	V245 Y260 P262 Y281 A288 W300 P315 K317	V245-F247 HydrophobicContact CB-CE2 4.32Å; V245-F247 HydrophobicContact CB-CZ 4.43Å; V245-F247 HydrophobicContact CG1-CD2 4.41Å; V245-F247 HydrophobicContact CG1-CE1 3.99Å; V245-F247 HydrophobicContact CG1-CE2 3.82Å; V245-F247 HydrophobicContact CG1-CZ 3.59Å; F247-Y260 PolarHBondContact N-O 2.79Å; F247-Y260 PolarHBondContact O-N 3.1Å; F247-P262 HydrophobicContact CD2-CG 4.02Å; F247-P262 HydrophobicContact CE2-CG 3.88Å; F247-Y281 WeakPolarHBondContact CD1-OH 3.42Å; F247-Y281 HydrophobicContact CE1-CE1 4.49Å; F247-A288 HydrophobicContact CE1-CB 3.58Å; F247-A288 HydrophobicContact CZ-CB 3.87Å; F247-W300 HydrophobicContact CE2-CB 4.17Å; F247-W300 HydrophobicContact CE2-CD2 4.1Å; F247-W300 HydrophobicContact CE2-CE3 4.34Å; F247-W300 HydrophobicContact CE2-CG 4.04Å; F247-W300 HydrophobicContact CZ-CB 3.8Å; F247-W300 AromaticContact CZ-CD1 3.93Å; F247-W300 HydrophobicContact CZ-CD2 4.2Å; F247-W300 AromaticContact CZ-CG 3.7Å; F247-W300 HydrophobicContact CZ-CG 3.7Å; F247-P315 HydrophobicContact CB-CB 4.26Å; F247-P315 VanDerWaalsContact CB-O 3.23Å; F247-P315 WeakPolarHBondContact CB-O 3.32Å; F247-K317 HydrophobicContact CD1-CD 3.91Å; F247-K317 HydrophobicContact CD2-CB 4.06Å; F247-K317 HydrophobicContact CD2-CD 4.27Å; F247-K317 HydrophobicContact CD2-CG 4.38Å; F247-K317 HydrophobicContact CE1-CD 3.77Å; F247-K317 HydrophobicContact CE2-CB 4Å; F247-K317 HydrophobicContact CE2-CD 4.15Å; F247-K317 HydrophobicContact CG-CD 4.16Å; F247-K317 HydrophobicContact CG-CG 4.46Å; F247-K317 HydrophobicContact CZ-CD 3.89Å
248	Y	95.1	Very high	90.3	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.3	-178	-53.7	-96.1	0	0	0	110.8	L199 V215 I217 H236 I237 T239 I246 I257 V258 A259	L199-Y248 HydrophobicContact CD2-CD1 3.77Å; L199-Y248 HydrophobicContact CD2-CD2 3.8Å; L199-Y248 HydrophobicContact CD2-CE1 3.79Å; L199-Y248 HydrophobicContact CD2-CE2 3.85Å; L199-Y248 HydrophobicContact CD2-CG 3.76Å; V215-Y248 HydrophobicContact CG1-CD1 4.08Å; V215-Y248 HydrophobicContact CG1-CE1 3.9Å; I217-Y248 WeakPolarHBondContact CD1-OH 3.34Å; H236-Y248 WeakPolarHBondContact CA-O 3.29Å; I237-Y248 HydrophobicContact CB-CD2 4.43Å; I237-Y248 PolarHBondContact N-O 3.06Å; I237-Y248 PolarHBondContact O-N 3.47Å; T239-Y248 HydrophobicContact CG2-CD2 4.41Å; T239-Y248 HydrophobicContact CG2-CE2 3.55Å; T239-Y248 VanDerWaalsContact OG1-CE2 3.23Å; T239-Y248 WeakPolarHBondContact OG1-CE2 3.45Å; T239-Y248 PolarHBondContact OG1-OH 3.26Å; I246-Y248 HydrophobicContact CB-CE2 3.66Å; I246-Y248 WeakPolarHBondContact CD1-OH 3.31Å; I246-Y248 HydrophobicContact CG2-CD1 4.36Å; I246-Y248 HydrophobicContact CG2-CD2 4.26Å; I246-Y248 HydrophobicContact CG2-CE1 3.74Å; I246-Y248 HydrophobicContact CG2-CE2 3.59Å; I246-Y248 WeakPolarHBondContact CG2-OH 3.49Å; I246-Y248 VanDerWaalsContact O-CE2 3.31Å; I246-Y248 WeakPolarHBondContact O-CE2 3.41Å; Y248-I257 HydrophobicContact CD1-CG2 3.78Å; Y248-I257 HydrophobicContact CG-CG2 4.23Å; Y248-V258 CarbonylContact C-O 3.52Å; Y248-V258 WeakPolarHBondContact CA-O 3.33Å; Y248-A259 HydrophobicContact CD1-CB 3.57Å; Y248-A259 HydrophobicContact CE1-CB 3.54Å
249	S	93.5	Very high	90.1	Very high	30 Å²	30	52.9 Å²	52.9	21%	0.21	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130	167.2	-171.5	0	0	0	0	108.3	Y235 H236 V258	Y235-S249 WeakPolarHBondContact O-CA 3.14Å; H236-S249 PolarHBondContact CE1-OG 3.5Å; S249-V258 PolarHBondContact N-O 3.15Å; S249-V258 PolarHBondContact O-N 3.2Å
250	W	94.1	Very high	89.9	Confident	7 Å²	7	56.9 Å²	56.9	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	164.4	177.6	66.5	-79.2	0	0	0	110.1	Y186 I201 Y234 Y235 I257	Y186-W250 AromaticContact CD1-CH2 3.7Å; Y186-W250 HydrophobicContact CD1-CH2 3.7Å; Y186-W250 HydrophobicContact CD1-CZ3 4.33Å; Y186-W250 AromaticContact CD2-CH2 3.69Å; Y186-W250 HydrophobicContact CD2-CH2 3.69Å; Y186-W250 HydrophobicContact CD2-CZ2 4.25Å; Y186-W250 AromaticContact CE1-CH2 3.77Å; Y186-W250 HydrophobicContact CE1-CH2 3.77Å; Y186-W250 HydrophobicContact CE1-CZ3 4.1Å; Y186-W250 AromaticContact CE2-CH2 3.78Å; Y186-W250 HydrophobicContact CE2-CH2 3.78Å; Y186-W250 AromaticContact CG-CH2 3.65Å; Y186-W250 HydrophobicContact CG-CH2 3.65Å; Y186-W250 HydrophobicContact CG-CZ2 4.22Å; Y186-W250 AromaticContact CZ-CH2 3.81Å; I201-W250 HydrophobicContact CG2-CH2 3.97Å; I201-W250 HydrophobicContact CG2-CZ2 3.99Å; I201-W250 HydrophobicContact CG2-CZ3 4.25Å; Y234-W250 HydrophobicContact CD2-CH2 4.27Å; Y234-W250 AromaticContact CD2-CZ2 3.81Å; Y234-W250 HydrophobicContact CD2-CZ2 3.81Å; Y234-W250 HydrophobicContact CE2-CH2 4.29Å; Y234-W250 HydrophobicContact CE2-CZ2 4.27Å; Y234-W250 PolarHBondContact O-NE1 3.26Å; Y235-W250 VanDerWaalsContact CB-O 3.27Å; Y235-W250 WeakPolarHBondContact CB-O 3.49Å; Y235-W250 AromaticContact CD1-CD2 3.95Å; Y235-W250 HydrophobicContact CD1-CD2 3.95Å; Y235-W250 AromaticContact CD1-CE2 3.95Å; Y235-W250 HydrophobicContact CD1-CE3 4.03Å; Y235-W250 HydrophobicContact CD1-CH2 4.14Å; Y235-W250 HydrophobicContact CD1-CZ2 4.06Å; Y235-W250 HydrophobicContact CD1-CZ3 4.13Å; Y235-W250 WeakPolarHBondContact CD1-O 3.29Å; Y235-W250 HydrophobicContact CE1-CE3 4.29Å; Y235-W250 HydrophobicContact CE1-CH2 4.08Å; Y235-W250 HydrophobicContact CE1-CZ2 4.42Å; Y235-W250 HydrophobicContact CE1-CZ3 4.01Å; Y235-W250 PolarHBondContact O-N 3.36Å; W250-I257 HydrophobicContact CB-CB 4.41Å; W250-I257 HydrophobicContact CB-CG1 3.98Å; W250-I257 HydrophobicContact CB-CG2 4.27Å
251	S	89.7	Confident	89.8	Confident	34 Å²	34	58.3 Å²	58.3	24%	0.238	30%	0.298	C	S	.	.			trans	-141.1	168.2	175	80.3	0	0	0	0	110.6	Q253 E254	S251-Q253 VanDerWaalsContact C-N 3.35Å; S251-Q253 PolarHBondContact OG-N 3.31Å; S251-E254 PolarHBondContact OG-N 3.15Å
252	N	82.9	Confident	89.7	Confident	54 Å²	54	58.6 Å²	58.6	29%	0.289	30%	0.3	S	S	.	.	S	Bend	trans	-78.8	-20.7	173.6	-81.2	-42.9	0	0	0	113.1	Y186 H212 Y235	Y186-N252 VanDerWaalsContact OH-CG 3.25Å; Y186-N252 PolarHBondContact OH-ND2 3.37Å; Y186-N252 PolarHBondContact OH-OD1 2.95Å; H212-N252 PolarHBondContact NE2-OD1 3.01Å; Y235-N252 PolarHBondContact OH-ND2 3.43Å
253	Q	79.7	Confident	89.5	Confident	188 Å²	188	57.8 Å²	57.8	88%	0.879	31%	0.305	S	S	*	.	S	Bend	trans	-86.3	-45.4	-175.6	-65.9	-177.3	-4.6	0	0	110.8	S251	S251-Q253 VanDerWaalsContact C-N 3.35Å; S251-Q253 PolarHBondContact OG-N 3.31Å
254	E	73.8	Confident	89.4	Confident	127 Å²	127	54 Å²	54	59%	0.593	29%	0.289	S	S	*	.			trans	-96.2	114.5	176.5	-60.1	178.9	175.1	0	0	107.3	S251 D256	S251-E254 PolarHBondContact OG-N 3.15Å; E254-D256 PolarHBondContact O-N 2.9Å
255	K	77.4	Confident	89.2	Confident	149 Å²	149	57.6 Å²	57.6	65%	0.648	30%	0.303	S	S	*	.			trans	-70	6.5	174.6	-72.2	-170.1	175.4	-173.1	0	113.2	C213	C213-K255 WeakPolarHBondContact CB-O 3.42Å
256	D	86.4	Confident	88.7	Confident	123 Å²	123	61 Å²	61	66%	0.658	32%	0.321	S	S	*	.			trans	-91.5	145	177.5	-68.3	-22.1	0	0	0	110.6	E254	E254-D256 PolarHBondContact O-N 2.9Å
257	I	92.6	Very high	88.2	Confident	15 Å²	15	67.3 Å²	67.3	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.7	174.2	-52.7	176.3	0	0	0	107.1	I201 C213 V215 Y248 W250 A259	I201-I257 HydrophobicContact CG1-CD1 4.02Å; C213-I257 HydrophobicContact CB-CD1 4.16Å; C213-I257 HydrophobicContact CB-CG1 4.03Å; V215-I257 HydrophobicContact CB-CB 3.93Å; V215-I257 HydrophobicContact CB-CD1 4.29Å; V215-I257 HydrophobicContact CB-CG2 4.45Å; V215-I257 HydrophobicContact CG1-CB 3.89Å; V215-I257 HydrophobicContact CG1-CD1 3.98Å; V215-I257 HydrophobicContact CG1-CG1 4.49Å; V215-I257 HydrophobicContact CG1-CG2 3.89Å; Y248-I257 HydrophobicContact CD1-CG2 3.78Å; Y248-I257 HydrophobicContact CG-CG2 4.23Å; W250-I257 HydrophobicContact CB-CB 4.41Å; W250-I257 HydrophobicContact CB-CG1 3.98Å; W250-I257 HydrophobicContact CB-CG2 4.27Å; I257-A259 PolarHBondContact O-N 2.74Å
258	V	91.5	Very high	87.7	Confident	61 Å²	61	71.7 Å²	71.7	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.1	173.4	179.8	0	0	0	0	108.1	Y248 S249 P315	Y248-V258 CarbonylContact C-O 3.52Å; Y248-V258 WeakPolarHBondContact CA-O 3.33Å; S249-V258 PolarHBondContact N-O 3.15Å; S249-V258 PolarHBondContact O-N 3.2Å; V258-P315 HydrophobicContact CG1-CG 4.11Å
259	A	92.1	Very high	87.4	Confident	52 Å²	52	74.6 Å²	74.6	43%	0.43	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.7	176.7	0	0	0	0	0	110.6	I246 Y248 I257	I246-A259 HydrophobicContact CG2-CB 4.09Å; Y248-A259 HydrophobicContact CD1-CB 3.57Å; Y248-A259 HydrophobicContact CE1-CB 3.54Å; I257-A259 PolarHBondContact O-N 2.74Å
260	Y	92.4	Very high	87.1	Confident	84 Å²	84	82.7 Å²	82.7	33%	0.329	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.6	176.7	179	-102	0	0	0	111.1	F247 P262 P315 Y316 K317	F247-Y260 PolarHBondContact N-O 2.79Å; F247-Y260 PolarHBondContact O-N 3.1Å; Y260-P262 HydrophobicContact CE1-CB 4.01Å; Y260-P262 HydrophobicContact CE1-CG 4.47Å; Y260-P262 WeakPolarHBondContact O-CD 3.24Å; Y260-P315 WeakPolarHBondContact CD1-O 3.26Å; Y260-Y316 HydrophobicContact CD1-CD1 4.09Å; Y260-Y316 AromaticContact CD2-CD1 3.5Å; Y260-Y316 HydrophobicContact CD2-CD1 3.5Å; Y260-Y316 VanDerWaalsContact CD2-CD1 3.5Å; Y260-Y316 AromaticContact CD2-CE1 3.82Å; Y260-Y316 HydrophobicContact CD2-CE1 3.82Å; Y260-Y316 HydrophobicContact CE1-CD1 4.4Å; Y260-Y316 AromaticContact CE2-CD1 3.87Å; Y260-Y316 HydrophobicContact CE2-CD1 3.87Å; Y260-Y316 HydrophobicContact CE2-CE1 4.43Å; Y260-Y316 AromaticContact CG-CD1 3.61Å; Y260-Y316 HydrophobicContact CG-CD1 3.61Å; Y260-Y316 HydrophobicContact CG-CE1 4.12Å; Y260-K317 WeakPolarHBondContact CE1-O 3.4Å
261	A	92.5	Very high	86.8	Confident	31 Å²	31	87.1 Å²	87.1	26%	0.256	44%	0.444	S	S	.	.			trans	-106.9	105.2	177.1	0	0	0	0	0	109.5	L221 I246	L221-A261 HydrophobicContact CD1-CB 4.36Å; L221-A261 HydrophobicContact CD2-CB 3.88Å; I246-A261 HydrophobicContact CG1-CB 4.12Å
262	P	90.9	Very high	86.8	Confident	6 Å²	6	93 Å²	93	4%	0.039	47%	0.466	C	S	.	.			trans	-65.2	138.9	174.3	21.9	-31.2	0	0	0	112.6	V245 F247 Y260 W300 K317	V245-P262 WeakPolarHBondContact O-CD 3.49Å; F247-P262 HydrophobicContact CD2-CG 4.02Å; F247-P262 HydrophobicContact CE2-CG 3.88Å; Y260-P262 HydrophobicContact CE1-CB 4.01Å; Y260-P262 HydrophobicContact CE1-CG 4.47Å; Y260-P262 WeakPolarHBondContact O-CD 3.24Å; P262-W300 HydrophobicContact CB-CE3 4.21Å; P262-W300 HydrophobicContact CB-CZ3 3.73Å; P262-W300 HydrophobicContact CG-CE3 3.75Å; P262-W300 HydrophobicContact CG-CH2 4.16Å; P262-W300 HydrophobicContact CG-CZ3 3.47Å; P262-W300 VanDerWaalsContact CG-CZ3 3.47Å; P262-K317 VanDerWaalsContact CB-O 3.28Å; P262-K317 WeakPolarHBondContact CB-O 3.43Å
263	S	86.8	Confident	87.2	Confident	84 Å²	84	90.7 Å²	90.7	59%	0.587	45%	0.453	S	S	*	.			trans	-73.9	130.9	170.3	176.6	0	0	0	0	110
264	L	88.9	Confident	87.8	Confident	29 Å²	29	83 Å²	83	15%	0.152	42%	0.424	C	S	.	.			trans	-139.1	116.4	169.2	177.3	55.6	0	0	0	108.9	D268 F269 V273 F276 V298 W300 A319	L264-D268 WeakPolarHBondContact CA-OD2 3.42Å; L264-D268 HydrophobicContact CD1-CB 4.23Å; L264-F269 HydrophobicContact CD1-CD2 3.74Å; L264-F269 HydrophobicContact CD1-CE2 3.55Å; L264-V273 HydrophobicContact CD2-CG1 4.21Å; L264-V273 HydrophobicContact CD2-CG2 4.44Å; L264-V273 HydrophobicContact CG-CG2 4.39Å; L264-F276 HydrophobicContact CD2-CE1 4.28Å; L264-F276 HydrophobicContact CD2-CZ 3.88Å; L264-V298 HydrophobicContact CD2-CG1 3.71Å; L264-V298 HydrophobicContact CD2-CG2 4.12Å; L264-W300 HydrophobicContact CB-CH2 3.91Å; L264-W300 HydrophobicContact CB-CZ3 4.46Å; L264-W300 HydrophobicContact CD2-CH2 3.68Å; L264-W300 HydrophobicContact CD2-CZ2 4.09Å; L264-W300 HydrophobicContact CG-CH2 4.43Å; L264-A319 HydrophobicContact CD1-CB 3.9Å; L264-A319 HydrophobicContact CD2-CB 4.06Å; L264-A319 HydrophobicContact CG-CB 4.46Å
265	K	86.5	Confident	88.7	Confident	129 Å²	129	81 Å²	81	56%	0.561	42%	0.415	S	S	*	.			trans	-114	153.7	177.6	-61.8	-179.6	-178.1	-179.7	0	109.7	D267 D268	K265-D267 PolarHBondContact O-N 3Å; K265-D267 VanDerWaalsContact O-N 3.13Å; K265-D268 PolarHBondContact N-OD2 3.05Å; K265-D268 VanDerWaalsContact O-CB 3.32Å; K265-D268 WeakPolarHBondContact O-CB 3.13Å; K265-D268 PolarHBondContact O-N 3.11Å
266	D	84.5	Confident	89.5	Confident	71 Å²	71	74.7 Å²	74.7	38%	0.38	39%	0.387	S	S	.	.	H	α-helix	trans	-55.7	-32.1	176.4	-74	-14.8	0	0	0	112.5	D268 K270 Q271 K272 V273	D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 3.14Å; D266-K270 WeakPolarHBondContact O-CA 3.25Å; D266-K270 PolarHBondContact O-N 3.27Å; D266-Q271 PolarHBondContact O-N 2.93Å; D266-Q271 VanDerWaalsContact O-N 3.16Å; D266-K272 WeakPolarHBondContact OD1-CA 3.29Å; D266-V273 PolarHBondContact OD1-N 2.88Å
267	D	84.8	Confident	89.9	Confident	137 Å²	137	70.6 Å²	70.6	73%	0.733	37%	0.368	S	S	*	.	H	α-helix	trans	-68.3	-24	178.3	-68.9	-30.2	0	0	0	113.4	K265 F269 K270	K265-D267 PolarHBondContact O-N 3Å; K265-D267 VanDerWaalsContact O-N 3.13Å; D267-F269 VanDerWaalsContact C-N 3.28Å; D267-F269 PolarHBondContact O-N 3.16Å; D267-K270 PolarHBondContact O-N 3Å
268	D	86.4	Confident	89.9	Confident	92 Å²	92	70 Å²	70	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-35.1	-177.1	-64.8	-29	0	0	0	111.5	L264 K265 D266	L264-D268 WeakPolarHBondContact CA-OD2 3.42Å; L264-D268 HydrophobicContact CD1-CB 4.23Å; K265-D268 PolarHBondContact N-OD2 3.05Å; K265-D268 VanDerWaalsContact O-CB 3.32Å; K265-D268 WeakPolarHBondContact O-CB 3.13Å; K265-D268 PolarHBondContact O-N 3.11Å; D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 3.14Å
269	F	88.5	Confident	90.1	Very high	64 Å²	64	67.3 Å²	67.3	28%	0.281	35%	0.349	S	S	.	.	H	α-helix	trans	-112.8	4.8	175.5	-66.1	-77.1	0	0	0	113.5	L264 D267 Q271 A319 L322	L264-F269 HydrophobicContact CD1-CD2 3.74Å; L264-F269 HydrophobicContact CD1-CE2 3.55Å; D267-F269 VanDerWaalsContact C-N 3.28Å; D267-F269 PolarHBondContact O-N 3.16Å; F269-Q271 PolarHBondContact O-N 3.21Å; F269-A319 HydrophobicContact CE2-CB 3.82Å; F269-A319 HydrophobicContact CZ-CB 4.08Å; F269-L322 HydrophobicContact CB-CD2 4Å; F269-L322 HydrophobicContact CD1-CB 4.2Å; F269-L322 HydrophobicContact CD2-CB 4.39Å; F269-L322 HydrophobicContact CD2-CD2 4.44Å; F269-L322 HydrophobicContact CG-CB 4.14Å; F269-L322 HydrophobicContact CG-CD2 4.26Å
270	K	87	Confident	90.2	Very high	200 Å²	200	66.5 Å²	66.5	87%	0.87	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	31.1	-175.8	-56.5	179.7	180	178.3	0	113.4	D266 D267	D266-K270 WeakPolarHBondContact O-CA 3.25Å; D266-K270 PolarHBondContact O-N 3.27Å; D267-K270 PolarHBondContact O-N 3Å
271	Q	88.4	Confident	90.3	Very high	100 Å²	100	62.6 Å²	62.6	47%	0.467	32%	0.321	S	S	.	.	S	Bend	trans	-147	141.8	-179.7	-177.6	174.4	5.4	0	0	108.1	D266 F269 V273 L296	D266-Q271 PolarHBondContact O-N 2.93Å; D266-Q271 VanDerWaalsContact O-N 3.16Å; F269-Q271 PolarHBondContact O-N 3.21Å; Q271-V273 PolarHBondContact O-N 2.93Å; Q271-V273 VanDerWaalsContact O-N 3.16Å; Q271-L296 HydrophobicContact CG-CD1 4.29Å
272	K	89.9	Confident	90.3	Very high	158 Å²	158	61.1 Å²	61.1	69%	0.687	31%	0.309	S	S	*	.			trans	-63.9	117	173.8	-66.3	-169.8	175	-173.2	0	109.8	D266	D266-K272 WeakPolarHBondContact OD1-CA 3.29Å
273	V	90.5	Very high	90.1	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.024	31%	0.311	C	S	.	.			trans	-75.4	-39.5	179.7	-173.4	0	0	0	0	109.8	L264 D266 Q271 F276 T292 T294 V298 L322	L264-V273 HydrophobicContact CD2-CG1 4.21Å; L264-V273 HydrophobicContact CD2-CG2 4.44Å; L264-V273 HydrophobicContact CG-CG2 4.39Å; D266-V273 PolarHBondContact OD1-N 2.88Å; Q271-V273 PolarHBondContact O-N 2.93Å; Q271-V273 VanDerWaalsContact O-N 3.16Å; V273-F276 HydrophobicContact CG1-CE1 3.75Å; V273-T292 HydrophobicContact CG1-CG2 3.83Å; V273-T292 WeakPolarHBondContact O-CB 3.49Å; V273-T292 PolarHBondContact O-OG1 3.24Å; V273-T294 PolarHBondContact O-OG1 2.9Å; V273-V298 HydrophobicContact CG1-CG2 3.81Å; V273-L322 HydrophobicContact CG1-CD1 4.14Å; V273-L322 HydrophobicContact CG2-CD2 4.24Å
274	G	91.3	Very high	89.8	Confident	26 Å²	26	63.4 Å²	63.4	27%	0.268	32%	0.315	S	S	.	.			trans	77.6	178.6	-175.3	0	0	0	0	0	113.1
275	Q	93.7	Very high	89.5	Confident	87 Å²	87	65.3 Å²	65.3	41%	0.407	32%	0.322	S	S	.	.			trans	-66.4	140.8	-178.5	-66	173	-35.2	0	0	112	E242 T292 S293	E242-Q275 HydrophobicContact CB-CG 4.46Å; E242-Q275 CarbonylContact O-C 3.55Å; E242-Q275 WeakPolarHBondContact O-CA 3.08Å; E242-Q275 PolarHBondContact OE2-NE2 3.37Å; Q275-T292 CarbonylContact O-C 3.56Å; Q275-T292 VanDerWaalsContact O-CA 3.26Å; Q275-T292 WeakPolarHBondContact O-CA 3.39Å; Q275-S293 PolarHBondContact N-OG 3.48Å; Q275-S293 PolarHBondContact O-N 3.29Å; Q275-S293 PolarHBondContact O-OG 2.76Å
276	F	94.8	Very high	89.4	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.066	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.7	176	-56.8	-15.2	0	0	0	110.7	N240 G241 E242 H243 V245 L264 V273 T290 G291 T292 V298 W300	N240-F276 PolarHBondContact ND2-O 3.04Å; G241-F276 WeakPolarHBondContact O-CB 3.35Å; E242-F276 PolarHBondContact O-N 3.05Å; H243-F276 VanDerWaalsContact C-CE2 3.44Å; H243-F276 VanDerWaalsContact O-CE2 3.31Å; H243-F276 WeakPolarHBondContact O-CE2 3.25Å; V245-F276 HydrophobicContact CG2-CD2 3.69Å; V245-F276 HydrophobicContact CG2-CE2 4.03Å; L264-F276 HydrophobicContact CD2-CE1 4.28Å; L264-F276 HydrophobicContact CD2-CZ 3.88Å; V273-F276 HydrophobicContact CG1-CE1 3.75Å; F276-T290 HydrophobicContact CB-CG2 3.64Å; F276-T290 HydrophobicContact CD1-CG2 4.2Å; F276-T290 HydrophobicContact CD2-CG2 4.16Å; F276-T290 HydrophobicContact CG-CG2 3.74Å; F276-G291 WeakPolarHBondContact CA-O 3.18Å; F276-T292 HydrophobicContact CD1-CG2 4.09Å; F276-V298 HydrophobicContact CE1-CG2 4.35Å; F276-W300 HydrophobicContact CE2-CZ2 4.17Å; F276-W300 HydrophobicContact CZ-CZ2 4.27Å
277	S	93.1	Very high	89.7	Confident	37 Å²	37	61.3 Å²	61.3	26%	0.259	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-47.1	-179.3	57	0	0	0	0	112.8	N240 G291 I330	N240-S277 PolarHBondContact ND2-O 2.84Å; S277-G291 PolarHBondContact N-O 3.41Å; S277-G291 PolarHBondContact OG-O 3.28Å; S277-I330 WeakPolarHBondContact CB-O 2.96Å; S277-I330 PolarHBondContact OG-O 3.32Å
278	C	92.7	Very high	90.2	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	147.2	-176.3	48.7	0	0	0	0	111.7	K226 T290 G291 L333	K226-C278 HydrophobicContact CD-CB 4.47Å; C278-T290 CarbonylContact O-C 3.45Å; C278-T290 VanDerWaalsContact O-CA 3.28Å; C278-T290 WeakPolarHBondContact O-CA 3.31Å; C278-G291 PolarHBondContact O-N 2.9Å; C278-L333 WeakPolarHBondContact SG-CB 3.47Å; C278-L333 PolarHBondContact SG-N 2.68Å
279	T	96	Very high	90.7	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.5	179.4	-63.8	0	0	0	0	110.8	T228 N240 V245 A288 I289 T290	T228-T279 PolarHBondContact OG1-O 3.07Å; N240-T279 PolarHBondContact OD1-OG1 2.83Å; V245-T279 HydrophobicContact CG1-CG2 4.01Å; V245-T279 WeakPolarHBondContact CG2-OG1 3.36Å; T279-A288 HydrophobicContact CG2-CB 4.35Å; T279-I289 CarbonylContact C-O 3.58Å; T279-I289 VanDerWaalsContact CA-O 3.26Å; T279-I289 WeakPolarHBondContact CA-O 3.42Å; T279-T290 WeakPolarHBondContact OG1-CG2 3.17Å; T279-T290 PolarHBondContact OG1-OG1 3.07Å
280	Q	95.3	Very high	91.1	Very high	35 Å²	35	47.4 Å²	47.4	16%	0.164	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.2	177.8	-168.1	60.2	30.6	0	0	111	A288 I289 L333 T335	Q280-A288 CarbonylContact O-C 3.49Å; Q280-A288 WeakPolarHBondContact O-CA 3.48Å; Q280-I289 HydrophobicContact CB-CG1 4.38Å; Q280-I289 PolarHBondContact N-O 2.77Å; Q280-I289 WeakPolarHBondContact O-CG1 3.43Å; Q280-I289 PolarHBondContact O-N 3.18Å; Q280-L333 HydrophobicContact CB-CD2 4.14Å; Q280-L333 HydrophobicContact CB-CG 4.13Å; Q280-T335 HydrophobicContact CG-CG2 4.14Å
281	Y	94.2	Very high	91.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.9	170.5	-69.8	-93.6	0	0	0	110.6	T228 N230 I237 S238 F247 P283 A288	T228-Y281 HydrophobicContact CG2-CD2 4.11Å; N230-Y281 HydrophobicContact CB-CD1 3.89Å; N230-Y281 HydrophobicContact CB-CD2 3.94Å; N230-Y281 HydrophobicContact CB-CE1 3.96Å; N230-Y281 HydrophobicContact CB-CE2 4.03Å; N230-Y281 HydrophobicContact CB-CG 3.87Å; I237-Y281 VanDerWaalsContact C-OH 3.24Å; I237-Y281 PolarHBondContact O-OH 2.8Å; S238-Y281 PolarHBondContact N-OH 2.77Å; S238-Y281 WeakPolarHBondContact OG-CE2 3.42Å; F247-Y281 WeakPolarHBondContact CD1-OH 3.42Å; F247-Y281 HydrophobicContact CE1-CE1 4.49Å; Y281-P283 WeakPolarHBondContact O-CD 3.27Å; Y281-A288 HydrophobicContact CD1-CB 3.92Å; Y281-A288 HydrophobicContact CE1-CB 3.99Å; Y281-A288 HydrophobicContact CG-CB 4.41Å
282	I	92	Very high	91.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.1	170.3	-59.3	175.2	0	0	0	107.3	K285 I287 I289 I345 C359 F361	I282-K285 HydrophobicContact CB-CB 4.22Å; I282-K285 HydrophobicContact CG2-CB 4.08Å; I282-K285 HydrophobicContact CG2-CD 3.91Å; I282-K285 HydrophobicContact CG2-CG 4.02Å; I282-K285 PolarHBondContact O-N 3.44Å; I282-I287 HydrophobicContact CD1-CB 4.48Å; I282-I287 HydrophobicContact CD1-CG2 4.16Å; I282-I287 PolarHBondContact N-O 2.8Å; I282-I289 HydrophobicContact CD1-CD1 4.25Å; I282-I289 HydrophobicContact CD1-CG1 4.48Å; I282-I289 HydrophobicContact CD1-CG2 3.75Å; I282-I289 HydrophobicContact CG1-CD1 3.95Å; I282-I289 HydrophobicContact CG1-CG1 4.08Å; I282-I289 HydrophobicContact CG1-CG2 4.19Å; I282-I345 HydrophobicContact CD1-CD1 3.86Å; I282-I345 HydrophobicContact CG1-CD1 4.34Å; I282-C359 HydrophobicContact CG2-CB 4.23Å; I282-F361 HydrophobicContact CD1-CE1 4Å; I282-F361 HydrophobicContact CD1-CZ 3.89Å
283	P	86.1	Confident	92.1	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.071	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	149.3	180	-23.8	35	0	0	0	112.9	P231 D232 Y281 K285 K343	P231-P283 HydrophobicContact CG-CB 4.35Å; P231-P283 HydrophobicContact CG-CG 3.98Å; D232-P283 WeakPolarHBondContact OD2-CA 3.46Å; Y281-P283 WeakPolarHBondContact O-CD 3.27Å; P283-K285 PolarHBondContact O-N 3.21Å; P283-K343 HydrophobicContact CB-CD 3.69Å; P283-K343 HydrophobicContact CG-CD 3.9Å
284	D	82.2	Confident	92.3	Very high	126 Å²	126	30.8 Å²	30.8	67%	0.674	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	10	-177.6	-49	-59.6	0	0	0	114.2	D232 K343	D232-D284 PolarHBondContact OD2-N 2.78Å; D284-K343 IonicContact OD2-NZ 2.73Å; D284-K343 PolarHBondContact OD2-NZ 3.28Å
285	K	80.8	Confident	92.4	Very high	69 Å²	69	29.5 Å²	29.5	30%	0.3	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	132.3	175.3	-59	-162.5	-179.9	-169.7	0	107.1	I282 P283 I287 C359	I282-K285 HydrophobicContact CB-CB 4.22Å; I282-K285 HydrophobicContact CG2-CB 4.08Å; I282-K285 HydrophobicContact CG2-CD 3.91Å; I282-K285 HydrophobicContact CG2-CG 4.02Å; I282-K285 PolarHBondContact O-N 3.44Å; P283-K285 PolarHBondContact O-N 3.21Å; K285-I287 HydrophobicContact CB-CB 4.19Å; K285-I287 HydrophobicContact CB-CD1 4.12Å; K285-I287 HydrophobicContact CB-CG1 3.93Å; K285-I287 HydrophobicContact CD-CD1 4.23Å; K285-I287 PolarHBondContact O-N 3.43Å; K285-C359 HydrophobicContact CD-CB 4.4Å; K285-C359 PolarHBondContact NZ-O 3.42Å
286	F	84.7	Confident	92.5	Very high	86 Å²	86	25.6 Å²	25.6	38%	0.377	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	36.6	175.7	-61.1	-67.9	0	0	0	112.8	E313 K317	F286-E313 HydrophobicContact CD1-CB 3.82Å; F286-E313 HydrophobicContact CD1-CG 3.91Å; F286-E313 HydrophobicContact CE1-CB 3.94Å; F286-K317 PolarHBondContact O-NZ 3.1Å
287	I	91.5	Very high	92.5	Very high	31 Å²	31	24.9 Å²	24.9	16%	0.159	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.4	-168.1	-53.5	-175.1	0	0	0	108.9	I282 K285 I289 I299 W300 E301	I282-I287 HydrophobicContact CD1-CB 4.48Å; I282-I287 HydrophobicContact CD1-CG2 4.16Å; I282-I287 PolarHBondContact N-O 2.8Å; K285-I287 HydrophobicContact CB-CB 4.19Å; K285-I287 HydrophobicContact CB-CD1 4.12Å; K285-I287 HydrophobicContact CB-CG1 3.93Å; K285-I287 HydrophobicContact CD-CD1 4.23Å; K285-I287 PolarHBondContact O-N 3.43Å; I287-I289 HydrophobicContact CG2-CG2 4.31Å; I287-I299 HydrophobicContact CG2-CG2 3.57Å; I287-W300 WeakPolarHBondContact CA-O 3.36Å; I287-E301 HydrophobicContact CD1-CG 4.29Å; I287-E301 HydrophobicContact CG1-CG 4.03Å; I287-E301 HydrophobicContact CG2-CG 4.37Å
288	A	95	Very high	92.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	152.2	164.4	0	0	0	0	0	109.7	F247 T279 Q280 Y281 W300 K317	F247-A288 HydrophobicContact CE1-CB 3.58Å; F247-A288 HydrophobicContact CZ-CB 3.87Å; T279-A288 HydrophobicContact CG2-CB 4.35Å; Q280-A288 CarbonylContact O-C 3.49Å; Q280-A288 WeakPolarHBondContact O-CA 3.48Å; Y281-A288 HydrophobicContact CD1-CB 3.92Å; Y281-A288 HydrophobicContact CE1-CB 3.99Å; Y281-A288 HydrophobicContact CG-CB 4.41Å; A288-W300 HydrophobicContact CB-CB 4.18Å; A288-W300 PolarHBondContact N-O 3.12Å; A288-W300 WeakPolarHBondContact O-CB 3.17Å; A288-W300 PolarHBondContact O-N 3.25Å; A288-K317 HydrophobicContact CB-CD 4.43Å
289	I	96.4	Very high	92.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	143.2	-179.3	50.1	167.7	0	0	0	110.4	T279 Q280 I282 I287 L297 V298 I299 L333 I345 F361	T279-I289 CarbonylContact C-O 3.58Å; T279-I289 VanDerWaalsContact CA-O 3.26Å; T279-I289 WeakPolarHBondContact CA-O 3.42Å; Q280-I289 HydrophobicContact CB-CG1 4.38Å; Q280-I289 PolarHBondContact N-O 2.77Å; Q280-I289 WeakPolarHBondContact O-CG1 3.43Å; Q280-I289 PolarHBondContact O-N 3.18Å; I282-I289 HydrophobicContact CD1-CD1 4.25Å; I282-I289 HydrophobicContact CD1-CG1 4.48Å; I282-I289 HydrophobicContact CD1-CG2 3.75Å; I282-I289 HydrophobicContact CG1-CD1 3.95Å; I282-I289 HydrophobicContact CG1-CG1 4.08Å; I282-I289 HydrophobicContact CG1-CG2 4.19Å; I287-I289 HydrophobicContact CG2-CG2 4.31Å; I289-L297 HydrophobicContact CB-CD1 4.14Å; I289-L297 HydrophobicContact CB-CD2 4.09Å; I289-L297 HydrophobicContact CB-CG 4.15Å; I289-L297 HydrophobicContact CD1-CD1 4.44Å; I289-L297 HydrophobicContact CD1-CD2 4.22Å; I289-L297 HydrophobicContact CG2-CD2 4.02Å; I289-L297 HydrophobicContact CG2-CG 4.44Å; I289-V298 CarbonylContact C-O 3.58Å; I289-V298 VanDerWaalsContact CA-O 3.25Å; I289-V298 WeakPolarHBondContact CA-O 3.4Å; I289-I299 HydrophobicContact CG2-CG1 4.2Å; I289-L333 HydrophobicContact CB-CD2 4.33Å; I289-L333 HydrophobicContact CD1-CD1 3.91Å; I289-L333 HydrophobicContact CD1-CD2 3.92Å; I289-L333 HydrophobicContact CD1-CG 4.21Å; I289-L333 HydrophobicContact CG1-CD2 3.82Å; I289-L333 WeakPolarHBondContact O-CD2 3.31Å; I289-I345 HydrophobicContact CD1-CD1 3.99Å; I289-I345 HydrophobicContact CD1-CG1 4.13Å; I289-I345 HydrophobicContact CD1-CG2 3.76Å; I289-F361 HydrophobicContact CG2-CE1 4.13Å; I289-F361 HydrophobicContact CG2-CZ 4.41Å
290	T	97.2	Very high	92.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.9	-178.3	-56.4	0	0	0	0	110.8	V245 F276 C278 T279 L297 V298 W300	V245-T290 HydrophobicContact CG2-CG2 4.05Å; F276-T290 HydrophobicContact CB-CG2 3.64Å; F276-T290 HydrophobicContact CD1-CG2 4.2Å; F276-T290 HydrophobicContact CD2-CG2 4.16Å; F276-T290 HydrophobicContact CG-CG2 3.74Å; C278-T290 CarbonylContact O-C 3.45Å; C278-T290 VanDerWaalsContact O-CA 3.28Å; C278-T290 WeakPolarHBondContact O-CA 3.31Å; T279-T290 WeakPolarHBondContact OG1-CG2 3.17Å; T279-T290 PolarHBondContact OG1-OG1 3.07Å; T290-L297 CarbonylContact O-C 3.49Å; T290-L297 WeakPolarHBondContact O-CA 3.4Å; T290-V298 PolarHBondContact N-O 2.81Å; T290-V298 PolarHBondContact O-N 3.04Å; T290-W300 PolarHBondContact OG1-NE1 3.09Å
291	G	96.1	Very high	92.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	149.6	173.2	0	0	0	0	0	111.5	F276 S277 C278	F276-G291 WeakPolarHBondContact CA-O 3.18Å; S277-G291 PolarHBondContact N-O 3.41Å; S277-G291 PolarHBondContact OG-O 3.28Å; C278-G291 PolarHBondContact O-N 2.9Å
292	T	96.3	Very high	92.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.1	-178.7	67	0	0	0	0	112.2	V273 Q275 F276 T294 G295 L296 V298 G329 I330	V273-T292 HydrophobicContact CG1-CG2 3.83Å; V273-T292 WeakPolarHBondContact O-CB 3.49Å; V273-T292 PolarHBondContact O-OG1 3.24Å; Q275-T292 CarbonylContact O-C 3.56Å; Q275-T292 VanDerWaalsContact O-CA 3.26Å; Q275-T292 WeakPolarHBondContact O-CA 3.39Å; F276-T292 HydrophobicContact CD1-CG2 4.09Å; T292-T294 PolarHBondContact O-N 3.25Å; T292-T294 VanDerWaalsContact O-N 3.12Å; T292-T294 PolarHBondContact OG1-OG1 2.94Å; T292-T294 VanDerWaalsContact OG1-OG1 3.1Å; T292-G295 PolarHBondContact O-N 3.06Å; T292-G295 VanDerWaalsContact O-N 3.1Å; T292-L296 WeakPolarHBondContact CB-O 3.38Å; T292-L296 HydrophobicContact CG2-CB 4.47Å; T292-L296 WeakPolarHBondContact CG2-O 3.41Å; T292-L296 PolarHBondContact N-O 2.72Å; T292-L296 WeakPolarHBondContact OG1-CA 3.44Å; T292-L296 WeakPolarHBondContact OG1-CB 3.49Å; T292-L296 PolarHBondContact OG1-N 3.5Å; T292-L296 PolarHBondContact OG1-O 2.89Å; T292-V298 HydrophobicContact CG2-CG2 3.81Å; T292-G329 WeakPolarHBondContact O-CA 3.19Å; T292-I330 PolarHBondContact O-N 3.14Å
293	S	94.9	Very high	91	Very high	58 Å²	58	29.7 Å²	29.7	41%	0.406	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-12.2	173.9	54.3	0	0	0	0	114.5	Q275 G329	Q275-S293 PolarHBondContact N-OG 3.48Å; Q275-S293 PolarHBondContact O-N 3.29Å; Q275-S293 PolarHBondContact O-OG 2.76Å; S293-G329 WeakPolarHBondContact O-CA 3.33Å; S293-G329 PolarHBondContact O-N 3.36Å
294	T	94	Very high	89.9	Confident	55 Å²	55	37.5 Å²	37.5	34%	0.337	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.4	176.7	60	0	0	0	0	113.5	V273 T292 L296	V273-T294 PolarHBondContact O-OG1 2.9Å; T292-T294 PolarHBondContact O-N 3.25Å; T292-T294 VanDerWaalsContact O-N 3.12Å; T292-T294 PolarHBondContact OG1-OG1 2.94Å; T292-T294 VanDerWaalsContact OG1-OG1 3.1Å; T294-L296 WeakPolarHBondContact OG1-CD1 3.46Å; T294-L296 WeakPolarHBondContact OG1-CG 3.43Å
295	G	93.8	Very high	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	89.9	8.9	179.8	0	0	0	0	0	114.4	T292 L325 H326 K328	T292-G295 PolarHBondContact O-N 3.06Å; T292-G295 VanDerWaalsContact O-N 3.1Å; G295-L325 PolarHBondContact O-N 3.41Å; G295-L325 VanDerWaalsContact O-N 3.08Å; G295-H326 WeakPolarHBondContact CA-O 3.4Å; G295-H326 PolarHBondContact O-N 2.86Å; G295-H326 VanDerWaalsContact O-N 3.09Å; G295-K328 WeakPolarHBondContact CA-O 3.27Å
296	L	95.6	Very high	87	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	148.6	178.2	-50.7	175.2	0	0	0	111.1	Q271 T292 T294 L322 I323 P324	Q271-L296 HydrophobicContact CG-CD1 4.29Å; T292-L296 WeakPolarHBondContact CB-O 3.38Å; T292-L296 HydrophobicContact CG2-CB 4.47Å; T292-L296 WeakPolarHBondContact CG2-O 3.41Å; T292-L296 PolarHBondContact N-O 2.72Å; T292-L296 WeakPolarHBondContact OG1-CA 3.44Å; T292-L296 WeakPolarHBondContact OG1-CB 3.49Å; T292-L296 PolarHBondContact OG1-N 3.5Å; T292-L296 PolarHBondContact OG1-O 2.89Å; T294-L296 WeakPolarHBondContact OG1-CD1 3.46Å; T294-L296 WeakPolarHBondContact OG1-CG 3.43Å; L296-L322 HydrophobicContact CB-CD1 3.78Å; L296-L322 HydrophobicContact CB-CG 4.06Å; L296-L322 HydrophobicContact CD1-CD1 4.16Å; L296-L322 HydrophobicContact CD1-CD2 3.62Å; L296-L322 HydrophobicContact CD1-CG 3.89Å; L296-L322 HydrophobicContact CG-CG 4.44Å; L296-I323 CarbonylContact C-O 3.54Å; L296-I323 WeakPolarHBondContact CA-O 3.45Å; L296-P324 HydrophobicContact CD2-CB 3.68Å
297	L	95.6	Very high	85.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.7	171	-166.4	77.7	0	0	0	109.3	I289 T290 L322 I323 L325 L333 F361	I289-L297 HydrophobicContact CB-CD1 4.14Å; I289-L297 HydrophobicContact CB-CD2 4.09Å; I289-L297 HydrophobicContact CB-CG 4.15Å; I289-L297 HydrophobicContact CD1-CD1 4.44Å; I289-L297 HydrophobicContact CD1-CD2 4.22Å; I289-L297 HydrophobicContact CG2-CD2 4.02Å; I289-L297 HydrophobicContact CG2-CG 4.44Å; T290-L297 CarbonylContact O-C 3.49Å; T290-L297 WeakPolarHBondContact O-CA 3.4Å; L297-L322 WeakPolarHBondContact O-CA 3.5Å; L297-I323 PolarHBondContact N-O 2.88Å; L297-I323 PolarHBondContact O-N 2.89Å; L297-L325 HydrophobicContact CB-CD1 3.77Å; L297-L325 HydrophobicContact CB-CG 4.16Å; L297-L325 HydrophobicContact CD1-CD1 4.46Å; L297-L325 HydrophobicContact CD2-CD1 3.82Å; L297-L325 HydrophobicContact CG-CD1 4.23Å; L297-L333 HydrophobicContact CD1-CD1 3.99Å; L297-L333 HydrophobicContact CD1-CD2 3.89Å; L297-F361 HydrophobicContact CD2-CD1 3.87Å; L297-F361 HydrophobicContact CD2-CE1 3.77Å
298	V	95.6	Very high	82.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.3	173.2	-171.7	0	0	0	0	108.7	L264 V273 F276 I289 T290 T292 W300 A319 L322	L264-V298 HydrophobicContact CD2-CG1 3.71Å; L264-V298 HydrophobicContact CD2-CG2 4.12Å; V273-V298 HydrophobicContact CG1-CG2 3.81Å; F276-V298 HydrophobicContact CE1-CG2 4.35Å; I289-V298 CarbonylContact C-O 3.58Å; I289-V298 VanDerWaalsContact CA-O 3.25Å; I289-V298 WeakPolarHBondContact CA-O 3.4Å; T290-V298 PolarHBondContact N-O 2.81Å; T290-V298 PolarHBondContact O-N 3.04Å; T292-V298 HydrophobicContact CG2-CG2 3.81Å; V298-W300 HydrophobicContact CB-CZ2 4.29Å; V298-W300 HydrophobicContact CG1-CD2 4.12Å; V298-W300 HydrophobicContact CG1-CH2 4.1Å; V298-W300 HydrophobicContact CG1-CZ2 3.55Å; V298-A319 HydrophobicContact CG1-CB 3.94Å; V298-L322 HydrophobicContact CB-CD1 4.43Å; V298-L322 HydrophobicContact CG2-CD1 3.69Å
299	I	95.4	Very high	80.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.5	177	-59.9	179.4	0	0	0	109.4	I287 I289 E301 A319 T320 K321 I323 F361	I287-I299 HydrophobicContact CG2-CG2 3.57Å; I289-I299 HydrophobicContact CG2-CG1 4.2Å; I299-E301 HydrophobicContact CG2-CG 4.12Å; I299-A319 CarbonylContact O-C 3.49Å; I299-A319 VanDerWaalsContact O-CA 3.31Å; I299-A319 WeakPolarHBondContact O-CA 3.24Å; I299-T320 PolarHBondContact O-N 2.96Å; I299-T320 PolarHBondContact O-OG1 3.03Å; I299-K321 HydrophobicContact CB-CB 4.23Å; I299-K321 HydrophobicContact CD1-CB 4Å; I299-K321 HydrophobicContact CD1-CD 4.43Å; I299-K321 HydrophobicContact CG1-CB 4.39Å; I299-K321 PolarHBondContact N-O 3.3Å; I299-I323 HydrophobicContact CD1-CD1 3.42Å; I299-I323 VanDerWaalsContact CD1-CD1 3.42Å; I299-I323 HydrophobicContact CD1-CG1 3.94Å; I299-F361 HydrophobicContact CD1-CD1 4.46Å; I299-F361 HydrophobicContact CD1-CD2 4.05Å; I299-F361 HydrophobicContact CD1-CE1 3.88Å; I299-F361 HydrophobicContact CD1-CE2 3.41Å; I299-F361 VanDerWaalsContact CD1-CE2 3.41Å; I299-F361 HydrophobicContact CD1-CZ 3.31Å; I299-F361 HydrophobicContact CG1-CE1 4.35Å; I299-F361 HydrophobicContact CG1-CZ 4.01Å
300	W	94.7	Very high	77.9	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.6	179.8	-52.1	99.4	0	0	0	110.7	V245 F247 P262 L264 F276 I287 A288 T290 V298 K317 R318 A319	V245-W300 HydrophobicContact CB-CZ2 4.47Å; V245-W300 HydrophobicContact CG2-CZ2 4.13Å; F247-W300 HydrophobicContact CE2-CB 4.17Å; F247-W300 HydrophobicContact CE2-CD2 4.1Å; F247-W300 HydrophobicContact CE2-CE3 4.34Å; F247-W300 HydrophobicContact CE2-CG 4.04Å; F247-W300 HydrophobicContact CZ-CB 3.8Å; F247-W300 AromaticContact CZ-CD1 3.93Å; F247-W300 HydrophobicContact CZ-CD2 4.2Å; F247-W300 AromaticContact CZ-CG 3.7Å; F247-W300 HydrophobicContact CZ-CG 3.7Å; P262-W300 HydrophobicContact CB-CE3 4.21Å; P262-W300 HydrophobicContact CB-CZ3 3.73Å; P262-W300 HydrophobicContact CG-CE3 3.75Å; P262-W300 HydrophobicContact CG-CH2 4.16Å; P262-W300 HydrophobicContact CG-CZ3 3.47Å; P262-W300 VanDerWaalsContact CG-CZ3 3.47Å; L264-W300 HydrophobicContact CB-CH2 3.91Å; L264-W300 HydrophobicContact CB-CZ3 4.46Å; L264-W300 HydrophobicContact CD2-CH2 3.68Å; L264-W300 HydrophobicContact CD2-CZ2 4.09Å; L264-W300 HydrophobicContact CG-CH2 4.43Å; F276-W300 HydrophobicContact CE2-CZ2 4.17Å; F276-W300 HydrophobicContact CZ-CZ2 4.27Å; I287-W300 WeakPolarHBondContact CA-O 3.36Å; A288-W300 HydrophobicContact CB-CB 4.18Å; A288-W300 PolarHBondContact N-O 3.12Å; A288-W300 WeakPolarHBondContact O-CB 3.17Å; A288-W300 PolarHBondContact O-N 3.25Å; T290-W300 PolarHBondContact OG1-NE1 3.09Å; V298-W300 HydrophobicContact CB-CZ2 4.29Å; V298-W300 HydrophobicContact CG1-CD2 4.12Å; V298-W300 HydrophobicContact CG1-CH2 4.1Å; V298-W300 HydrophobicContact CG1-CZ2 3.55Å; W300-K317 HydrophobicContact CB-CB 4.13Å; W300-K317 HydrophobicContact CB-CD 4.17Å; W300-R318 WeakPolarHBondContact CA-O 2.84Å; W300-A319 HydrophobicContact CE3-CB 3.92Å; W300-A319 VanDerWaalsContact CE3-N 3.34Å; W300-A319 HydrophobicContact CH2-CB 4.16Å; W300-A319 HydrophobicContact CZ3-CB 3.63Å
301	E	91.4	Very high	75.7	Confident	63 Å²	63	64.7 Å²	64.7	29%	0.294	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154.1	178	-65.9	169.6	-143.7	0	0	110.4	I287 I299 K317 R318 T320	I287-E301 HydrophobicContact CD1-CG 4.29Å; I287-E301 HydrophobicContact CG1-CG 4.03Å; I287-E301 HydrophobicContact CG2-CG 4.37Å; I299-E301 HydrophobicContact CG2-CG 4.12Å; E301-K317 CarbonylContact O-C 3.54Å; E301-K317 VanDerWaalsContact O-CA 3.23Å; E301-K317 WeakPolarHBondContact O-CA 3.25Å; E301-R318 PolarHBondContact N-O 3.03Å; E301-R318 PolarHBondContact O-N 3.21Å; E301-T320 HydrophobicContact CB-CG2 3.67Å; E301-T320 VanDerWaalsContact CD-OG1 3.31Å; E301-T320 HydrophobicContact CG-CG2 4.05Å; E301-T320 PolarHBondContact OE1-OG1 2.93Å
302	S	85.5	Confident	74.1	Confident	30 Å²	30	73.3 Å²	73.3	21%	0.21	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.6	176.4	-68.5	0	0	0	0	111.9	K304	S302-K304 VanDerWaalsContact C-N 3.26Å; S302-K304 PolarHBondContact O-N 2.84Å
303	D	69.4	Low	73.2	Confident	90 Å²	90	74.1 Å²	74.1	48%	0.481	39%	0.391	S	S	.	.	S	Bend	trans	-66.5	-29.2	-176.7	-165.7	25.6	0	0	0	113	Y316 R318	D303-Y316 PolarHBondContact N-O 3.11Å; D303-R318 IonicContact OD1-CZ 2.79Å; D303-R318 IonicContact OD1-NE 3.79Å; D303-R318 PolarHBondContact OD1-NE 3.19Å; D303-R318 IonicContact OD1-NH1 3.66Å; D303-R318 IonicContact OD1-NH2 3.46Å; D303-R318 PolarHBondContact OD1-NH2 3.49Å
304	K	63.1	Low	72.6	Confident	174 Å²	174	73.4 Å²	73.4	76%	0.757	39%	0.385	S	S	*	.	S	Bend	trans	-102.8	127.7	178.3	-64.7	-178.4	-179.5	177.7	0	110.3	S302	S302-K304 VanDerWaalsContact C-N 3.26Å; S302-K304 PolarHBondContact O-N 2.84Å
305	Q	50.5	Low	72.3	Confident	180 Å²	180	71.2 Å²	71.2	84%	0.841	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-59.9	132.6	165.9	-74.1	-177.7	-4	0	0	108.6	V307	Q305-V307 PolarHBondContact O-N 3.35Å; Q305-V307 VanDerWaalsContact O-N 3.08Å
306	P	49.7	Very low	72.1	Confident	80 Å²	80	76.9 Å²	76.9	52%	0.519	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-57.2	119.4	173.9	22.1	-30.4	0	0	0	108.3	K308	P306-K308 PolarHBondContact O-N 2.94Å
307	V	44.7	Very low	71.9	Confident	111 Å²	111	76.8 Å²	76.8	67%	0.673	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-62.9	127.1	172.7	-178.6	0	0	0	0	106.1	Q305 G309 D310	Q305-V307 PolarHBondContact O-N 3.35Å; Q305-V307 VanDerWaalsContact O-N 3.08Å; V307-G309 PolarHBondContact O-N 2.82Å; V307-D310 PolarHBondContact O-N 2.9Å
308	K	39.3	Very low	71.7	Confident	218 Å²	218	83 Å²	83	95%	0.948	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.8	107.6	-178.2	-81.7	-177	172.8	-179.5	0	110.6	P306	P306-K308 PolarHBondContact O-N 2.94Å
309	G	48.6	Very low	71.6	Confident	73 Å²	73	83.9 Å²	83.9	75%	0.753	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.8	-28.3	179.6	0	0	0	0	0	114.1	V307	V307-G309 PolarHBondContact O-N 2.82Å
310	D	44.7	Very low	71.4	Confident	94 Å²	94	86 Å²	86	50%	0.503	44%	0.437	S	S	.	.			trans	-108.5	87	-176.2	-81.2	-10.6	0	0	0	110.2	V307 Y312	V307-D310 PolarHBondContact O-N 2.9Å; D310-Y312 HydrophobicContact CB-CD2 3.78Å; D310-Y312 HydrophobicContact CB-CE2 4.06Å; D310-Y312 PolarHBondContact O-N 3.01Å
311	N	51.9	Low	71.3	Confident	128 Å²	128	91.7 Å²	91.7	68%	0.684	46%	0.461	S	S	*	.			trans	-74.6	45.5	173.7	-87	-2.9	0	0	0	112.1	E313	N311-E313 PolarHBondContact O-N 2.87Å
312	Y	62.2	Low	71.4	Confident	180 Å²	180	90 Å²	90	71%	0.706	45%	0.454	S	S	*	.			trans	-84.1	100.1	174.5	-64.4	-70.7	0	0	0	109.2	D310	D310-Y312 HydrophobicContact CB-CD2 3.78Å; D310-Y312 HydrophobicContact CB-CE2 4.06Å; D310-Y312 PolarHBondContact O-N 3.01Å
313	E	76	Confident	71.8	Confident	17 Å²	17	90.3 Å²	90.3	8%	0.079	45%	0.453	C	S	.	.			trans	-61.5	141.4	164.3	-176.4	169.5	-166	0	0	109.2	N230 H236 F286 N311 K317	N230-E313 PolarHBondContact ND2-OE1 2.71Å; N230-E313 PolarHBondContact ND2-OE2 2.91Å; H236-E313 IonicContact CD2-OE2 2.68Å; H236-E313 PolarHBondContact CD2-OE2 2.78Å; H236-E313 PolarHBondContact CE1-O 3.03Å; H236-E313 VanDerWaalsContact CE1-O 3.24Å; H236-E313 WeakPolarHBondContact NE2-CB 3.44Å; H236-E313 PolarHBondContact NE2-O 3.01Å; F286-E313 HydrophobicContact CD1-CB 3.82Å; F286-E313 HydrophobicContact CD1-CG 3.91Å; F286-E313 HydrophobicContact CE1-CB 3.94Å; N311-E313 PolarHBondContact O-N 2.87Å; E313-K317 IonicContact OE1-NZ 4Å; E313-K317 PolarHBondContact OE1-NZ 3.15Å; E313-K317 VanDerWaalsContact OE1-NZ 3.07Å
314	T	84	Confident	73	Confident	44 Å²	44	90.5 Å²	90.5	27%	0.27	46%	0.459	S	S	.	.			trans	-124.9	149.4	-176.1	64.8	0	0	0	0	110.5	Y316	T314-Y316 PolarHBondContact O-N 3.22Å
315	P	85.8	Confident	74.4	Confident	8 Å²	8	83 Å²	83	5%	0.052	43%	0.427	C	S	.	.	S	Bend	trans	-70.1	-15.9	173.3	30.1	-34.2	0	0	0	112.1	F247 V258 Y260 K317	F247-P315 HydrophobicContact CB-CB 4.26Å; F247-P315 VanDerWaalsContact CB-O 3.23Å; F247-P315 WeakPolarHBondContact CB-O 3.32Å; V258-P315 HydrophobicContact CG1-CG 4.11Å; Y260-P315 WeakPolarHBondContact CD1-O 3.26Å; P315-K317 PolarHBondContact O-N 3.2Å
316	Y	90.5	Very high	76.5	Confident	119 Å²	119	74.9 Å²	74.9	47%	0.467	39%	0.39	S	S	.	.			trans	-76.6	85.5	-179	-52.3	-71	0	0	0	112.1	Y260 D303 T314	Y260-Y316 HydrophobicContact CD1-CD1 4.09Å; Y260-Y316 AromaticContact CD2-CD1 3.5Å; Y260-Y316 HydrophobicContact CD2-CD1 3.5Å; Y260-Y316 VanDerWaalsContact CD2-CD1 3.5Å; Y260-Y316 AromaticContact CD2-CE1 3.82Å; Y260-Y316 HydrophobicContact CD2-CE1 3.82Å; Y260-Y316 HydrophobicContact CE1-CD1 4.4Å; Y260-Y316 AromaticContact CE2-CD1 3.87Å; Y260-Y316 HydrophobicContact CE2-CD1 3.87Å; Y260-Y316 HydrophobicContact CE2-CE1 4.43Å; Y260-Y316 AromaticContact CG-CD1 3.61Å; Y260-Y316 HydrophobicContact CG-CD1 3.61Å; Y260-Y316 HydrophobicContact CG-CE1 4.12Å; D303-Y316 PolarHBondContact N-O 3.11Å; T314-Y316 PolarHBondContact O-N 3.22Å
317	K	91.8	Very high	78.5	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.009	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	153.8	176.6	-59.4	-173.1	-171.1	-73.6	0	111.2	F247 Y260 P262 F286 A288 W300 E301 E313 P315	F247-K317 HydrophobicContact CD1-CD 3.91Å; F247-K317 HydrophobicContact CD2-CB 4.06Å; F247-K317 HydrophobicContact CD2-CD 4.27Å; F247-K317 HydrophobicContact CD2-CG 4.38Å; F247-K317 HydrophobicContact CE1-CD 3.77Å; F247-K317 HydrophobicContact CE2-CB 4Å; F247-K317 HydrophobicContact CE2-CD 4.15Å; F247-K317 HydrophobicContact CG-CD 4.16Å; F247-K317 HydrophobicContact CG-CG 4.46Å; F247-K317 HydrophobicContact CZ-CD 3.89Å; Y260-K317 WeakPolarHBondContact CE1-O 3.4Å; P262-K317 VanDerWaalsContact CB-O 3.28Å; P262-K317 WeakPolarHBondContact CB-O 3.43Å; F286-K317 PolarHBondContact O-NZ 3.1Å; A288-K317 HydrophobicContact CB-CD 4.43Å; W300-K317 HydrophobicContact CB-CB 4.13Å; W300-K317 HydrophobicContact CB-CD 4.17Å; E301-K317 CarbonylContact O-C 3.54Å; E301-K317 VanDerWaalsContact O-CA 3.23Å; E301-K317 WeakPolarHBondContact O-CA 3.25Å; E313-K317 IonicContact OE1-NZ 4Å; E313-K317 PolarHBondContact OE1-NZ 3.15Å; E313-K317 VanDerWaalsContact OE1-NZ 3.07Å; P315-K317 PolarHBondContact O-N 3.2Å
318	R	91.6	Very high	80.8	Confident	131 Å²	131	80.2 Å²	80.2	49%	0.494	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.1	169.2	66.7	173.2	150.2	178.9	-15.3	110.9	W300 E301 D303 T320	W300-R318 WeakPolarHBondContact CA-O 2.84Å; E301-R318 PolarHBondContact N-O 3.03Å; E301-R318 PolarHBondContact O-N 3.21Å; D303-R318 IonicContact OD1-CZ 2.79Å; D303-R318 IonicContact OD1-NE 3.79Å; D303-R318 PolarHBondContact OD1-NE 3.19Å; D303-R318 IonicContact OD1-NH1 3.66Å; D303-R318 IonicContact OD1-NH2 3.46Å; D303-R318 PolarHBondContact OD1-NH2 3.49Å; R318-T320 HydrophobicContact CG-CG2 4.22Å; R318-T320 PolarHBondContact O-N 2.61Å
319	A	93	Very high	83.4	Confident	19 Å²	19	70.2 Å²	70.2	16%	0.157	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	114.5	171.3	0	0	0	0	0	109	L264 F269 V298 I299 W300	L264-A319 HydrophobicContact CD1-CB 3.9Å; L264-A319 HydrophobicContact CD2-CB 4.06Å; L264-A319 HydrophobicContact CG-CB 4.46Å; F269-A319 HydrophobicContact CE2-CB 3.82Å; F269-A319 HydrophobicContact CZ-CB 4.08Å; V298-A319 HydrophobicContact CG1-CB 3.94Å; I299-A319 CarbonylContact O-C 3.49Å; I299-A319 VanDerWaalsContact O-CA 3.31Å; I299-A319 WeakPolarHBondContact O-CA 3.24Å; W300-A319 HydrophobicContact CE3-CB 3.92Å; W300-A319 VanDerWaalsContact CE3-N 3.34Å; W300-A319 HydrophobicContact CH2-CB 4.16Å; W300-A319 HydrophobicContact CZ3-CB 3.63Å
320	T	91.6	Very high	85.7	Confident	45 Å²	45	66.8 Å²	66.8	28%	0.276	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-35.2	-180	52.7	0	0	0	0	112.4	I299 E301 R318	I299-T320 PolarHBondContact O-N 2.96Å; I299-T320 PolarHBondContact O-OG1 3.03Å; E301-T320 HydrophobicContact CB-CG2 3.67Å; E301-T320 VanDerWaalsContact CD-OG1 3.31Å; E301-T320 HydrophobicContact CG-CG2 4.05Å; E301-T320 PolarHBondContact OE1-OG1 2.93Å; R318-T320 HydrophobicContact CG-CG2 4.22Å; R318-T320 PolarHBondContact O-N 2.61Å
321	K	92.3	Very high	88.1	Confident	119 Å²	119	64.6 Å²	64.6	52%	0.517	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153	-174.1	-65.9	179.2	-174.1	171.5	0	111	I299	I299-K321 HydrophobicContact CB-CB 4.23Å; I299-K321 HydrophobicContact CD1-CB 4Å; I299-K321 HydrophobicContact CD1-CD 4.43Å; I299-K321 HydrophobicContact CG1-CB 4.39Å; I299-K321 PolarHBondContact N-O 3.3Å
322	L	92.9	Very high	90.2	Very high	27 Å²	27	59.2 Å²	59.2	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	116.2	172.6	-167.7	65.7	0	0	0	107.7	F269 V273 L296 L297 V298	F269-L322 HydrophobicContact CB-CD2 4Å; F269-L322 HydrophobicContact CD1-CB 4.2Å; F269-L322 HydrophobicContact CD2-CB 4.39Å; F269-L322 HydrophobicContact CD2-CD2 4.44Å; F269-L322 HydrophobicContact CG-CB 4.14Å; F269-L322 HydrophobicContact CG-CD2 4.26Å; V273-L322 HydrophobicContact CG1-CD1 4.14Å; V273-L322 HydrophobicContact CG2-CD2 4.24Å; L296-L322 HydrophobicContact CB-CD1 3.78Å; L296-L322 HydrophobicContact CB-CG 4.06Å; L296-L322 HydrophobicContact CD1-CD1 4.16Å; L296-L322 HydrophobicContact CD1-CD2 3.62Å; L296-L322 HydrophobicContact CD1-CG 3.89Å; L296-L322 HydrophobicContact CG-CG 4.44Å; L297-L322 WeakPolarHBondContact O-CA 3.5Å; V298-L322 HydrophobicContact CB-CD1 4.43Å; V298-L322 HydrophobicContact CG2-CD1 3.69Å
323	I	94.5	Very high	91.8	Very high	37 Å²	37	50.9 Å²	50.9	19%	0.19	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.8	-174.7	-55.5	-173.4	0	0	0	109.9	L296 L297 I299 L325 F361	L296-I323 CarbonylContact C-O 3.54Å; L296-I323 WeakPolarHBondContact CA-O 3.45Å; L297-I323 PolarHBondContact N-O 2.88Å; L297-I323 PolarHBondContact O-N 2.89Å; I299-I323 HydrophobicContact CD1-CD1 3.42Å; I299-I323 VanDerWaalsContact CD1-CD1 3.42Å; I299-I323 HydrophobicContact CD1-CG1 3.94Å; I323-L325 HydrophobicContact CG2-CD2 3.62Å; I323-L325 HydrophobicContact CG2-CG 4.29Å; I323-L325 PolarHBondContact O-N 2.79Å; I323-F361 HydrophobicContact CD1-CB 3.83Å; I323-F361 HydrophobicContact CD1-CD1 4.15Å; I323-F361 HydrophobicContact CD1-CD2 3.6Å; I323-F361 HydrophobicContact CD1-CE2 4.22Å; I323-F361 HydrophobicContact CD1-CG 3.57Å
324	P	94.2	Very high	92.7	Very high	94 Å²	94	51.3 Å²	51.3	61%	0.61	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	119.7	172.1	29.4	-32	0	0	0	110.9	L296	L296-P324 HydrophobicContact CD2-CB 3.68Å
325	L	93	Very high	93.1	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.084	25%	0.249	C	C	.	.			trans	-115.2	-33.1	179.8	-62.1	-173.5	0	0	0	113.1	G295 L297 I323 I330 T347 K355 F357	G295-L325 PolarHBondContact O-N 3.41Å; G295-L325 VanDerWaalsContact O-N 3.08Å; L297-L325 HydrophobicContact CB-CD1 3.77Å; L297-L325 HydrophobicContact CB-CG 4.16Å; L297-L325 HydrophobicContact CD1-CD1 4.46Å; L297-L325 HydrophobicContact CD2-CD1 3.82Å; L297-L325 HydrophobicContact CG-CD1 4.23Å; I323-L325 HydrophobicContact CG2-CD2 3.62Å; I323-L325 HydrophobicContact CG2-CG 4.29Å; I323-L325 PolarHBondContact O-N 2.79Å; L325-I330 HydrophobicContact CB-CD1 4.43Å; L325-T347 HydrophobicContact CD1-CG2 4.35Å; L325-K355 PolarHBondContact O-NZ 3.2Å; L325-F357 HydrophobicContact CB-CE2 4.27Å; L325-F357 HydrophobicContact CB-CZ 3.9Å; L325-F357 HydrophobicContact CD1-CD2 4.24Å; L325-F357 HydrophobicContact CD1-CE2 3.93Å; L325-F357 HydrophobicContact CD1-CZ 4.17Å; L325-F357 HydrophobicContact CD2-CD1 4.18Å; L325-F357 HydrophobicContact CD2-CE1 3.74Å; L325-F357 HydrophobicContact CD2-CE2 4.4Å; L325-F357 HydrophobicContact CD2-CZ 3.86Å; L325-F357 HydrophobicContact CG-CE2 4.45Å; L325-F357 HydrophobicContact CG-CZ 4.2Å
326	H	93.5	Very high	93.5	Very high	11 Å²	11	51 Å²	51	5%	0.051	25%	0.252	C	S	.	.			trans	-127.8	151.6	179.1	-72.7	-101.8	0	0	0	111	G295 K328 I330 T347 D349	G295-H326 WeakPolarHBondContact CA-O 3.4Å; G295-H326 PolarHBondContact O-N 2.86Å; G295-H326 VanDerWaalsContact O-N 3.09Å; H326-K328 VanDerWaalsContact C-N 3.29Å; H326-K328 WeakPolarHBondContact CB-O 3.27Å; H326-I330 HydrophobicContact CB-CG1 4.39Å; H326-T347 PolarHBondContact NE2-OG1 2.92Å; H326-D349 HydrophobicContact CB-CB 4.33Å; H326-D349 IonicContact CE1-OD2 3.99Å; H326-D349 IonicContact CG-OD2 2.81Å; H326-D349 WeakPolarHBondContact ND1-CB 3.43Å; H326-D349 IonicContact ND1-OD2 3.93Å; H326-D349 PolarHBondContact ND1-OD2 3.23Å
327	E	91.9	Very high	93.4	Very high	194 Å²	194	47.1 Å²	47.1	91%	0.907	24%	0.244	S	C	*	.	S	Bend	trans	-75.8	-23.6	170.8	-63.9	-178.6	173.5	0	0	111.8
328	K	93	Very high	93.3	Very high	109 Å²	109	47.1 Å²	47.1	47%	0.474	24%	0.244	S	C	.	.	S	Bend	trans	-113.9	164.7	175.4	-57.1	-157.3	-170.9	-178.9	0	110.9	G295 H326 I330 S350	G295-K328 WeakPolarHBondContact CA-O 3.27Å; H326-K328 VanDerWaalsContact C-N 3.29Å; H326-K328 WeakPolarHBondContact CB-O 3.27Å; K328-I330 PolarHBondContact O-N 3.47Å; K328-S350 WeakPolarHBondContact CB-OG 3.37Å
329	G	94.5	Very high	93.1	Very high	7 Å²	7	43 Å²	43	7%	0.072	23%	0.23	C	C	.	.			trans	-53.2	133.4	179.5	0	0	0	0	0	114.3	T292 S293 T331 D349 S350	T292-G329 WeakPolarHBondContact O-CA 3.19Å; S293-G329 WeakPolarHBondContact O-CA 3.33Å; S293-G329 PolarHBondContact O-N 3.36Å; G329-T331 PolarHBondContact O-N 2.91Å; G329-D349 CarbonylContact O-C 3.57Å; G329-D349 VanDerWaalsContact O-CA 3.28Å; G329-D349 WeakPolarHBondContact O-CA 3.03Å; G329-D349 WeakPolarHBondContact O-CB 3.42Å; G329-S350 PolarHBondContact O-N 2.94Å
330	I	96.5	Very high	92.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.4	170.2	-64.6	164.9	0	0	0	107.2	S277 T292 L325 H326 K328 F332 T347 G348	S277-I330 WeakPolarHBondContact CB-O 2.96Å; S277-I330 PolarHBondContact OG-O 3.32Å; T292-I330 PolarHBondContact O-N 3.14Å; L325-I330 HydrophobicContact CB-CD1 4.43Å; H326-I330 HydrophobicContact CB-CG1 4.39Å; K328-I330 PolarHBondContact O-N 3.47Å; I330-F332 WeakPolarHBondContact CG2-O 3.17Å; I330-T347 HydrophobicContact CG2-CG2 4.39Å; I330-G348 CarbonylContact C-O 3.54Å; I330-G348 WeakPolarHBondContact CA-O 3.41Å
331	T	94.9	Very high	92.4	Very high	48 Å²	48	45.6 Å²	45.6	29%	0.294	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-24.6	-178.3	50.7	0	0	0	0	112.3	G329 G348 D349 V375	G329-T331 PolarHBondContact O-N 2.91Å; T331-G348 PolarHBondContact N-O 2.83Å; T331-G348 PolarHBondContact OG1-O 3.44Å; T331-D349 PolarHBondContact OG1-O 3.02Å; T331-V375 WeakPolarHBondContact CB-O 3.38Å; T331-V375 PolarHBondContact OG1-O 2.87Å
332	F	95.7	Very high	92.2	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.07	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.3	178.1	-164	-97.9	0	0	0	111.9	I330 T334 T347 G348 V375 N376 C377 I378	I330-F332 WeakPolarHBondContact CG2-O 3.17Å; F332-T334 HydrophobicContact CD1-CG2 4.42Å; F332-T334 HydrophobicContact CE1-CG2 3.9Å; F332-T347 WeakPolarHBondContact O-CA 3.28Å; F332-G348 PolarHBondContact N-O 2.73Å; F332-G348 PolarHBondContact O-N 2.91Å; F332-V375 HydrophobicContact CB-CG1 4.27Å; F332-N376 WeakPolarHBondContact CD2-O 3.33Å; F332-C377 HydrophobicContact CD2-CB 4.48Å; F332-C377 HydrophobicContact CE2-CB 4.09Å; F332-C377 HydrophobicContact CZ-CB 4.38Å; F332-I378 HydrophobicContact CD1-CB 3.99Å; F332-I378 HydrophobicContact CD1-CD1 4.31Å; F332-I378 HydrophobicContact CD1-CG1 4.02Å; F332-I378 HydrophobicContact CE1-CB 3.99Å; F332-I378 VanDerWaalsContact CE1-N 3.29Å; F332-I378 VanDerWaalsContact CE1-O 3.3Å; F332-I378 WeakPolarHBondContact CE1-O 3.43Å
333	L	95.8	Very high	92	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.5	-178.4	-178.1	66	0	0	0	109.3	C278 Q280 I289 L297 I345 V346 T347	C278-L333 WeakPolarHBondContact SG-CB 3.47Å; C278-L333 PolarHBondContact SG-N 2.68Å; Q280-L333 HydrophobicContact CB-CD2 4.14Å; Q280-L333 HydrophobicContact CB-CG 4.13Å; I289-L333 HydrophobicContact CB-CD2 4.33Å; I289-L333 HydrophobicContact CD1-CD1 3.91Å; I289-L333 HydrophobicContact CD1-CD2 3.92Å; I289-L333 HydrophobicContact CD1-CG 4.21Å; I289-L333 HydrophobicContact CG1-CD2 3.82Å; I289-L333 WeakPolarHBondContact O-CD2 3.31Å; L297-L333 HydrophobicContact CD1-CD1 3.99Å; L297-L333 HydrophobicContact CD1-CD2 3.89Å; L333-I345 HydrophobicContact CD1-CG2 3.68Å; L333-V346 WeakPolarHBondContact CA-O 3.45Å; L333-T347 HydrophobicContact CD1-CG2 3.57Å
334	T	95.3	Very high	91.9	Very high	27 Å²	27	41.9 Å²	41.9	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	175.2	174.8	-169.3	0	0	0	0	110.7	F332 V346 F380	F332-T334 HydrophobicContact CD1-CG2 4.42Å; F332-T334 HydrophobicContact CE1-CG2 3.9Å; T334-V346 HydrophobicContact CG2-CB 3.87Å; T334-V346 HydrophobicContact CG2-CG2 4.42Å; T334-V346 PolarHBondContact N-O 2.8Å; T334-V346 PolarHBondContact O-N 3.29Å; T334-F380 HydrophobicContact CG2-CE2 3.82Å
335	T	93.2	Very high	91.9	Very high	28 Å²	28	37.4 Å²	37.4	17%	0.172	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.9	172.6	56.6	0	0	0	0	110	Q280 C344 I345	Q280-T335 HydrophobicContact CG-CG2 4.14Å; T335-C344 VanDerWaalsContact CA-O 3.31Å; T335-C344 WeakPolarHBondContact CA-O 3.46Å; T335-I345 HydrophobicContact CG2-CG1 4.37Å
336	T	92.8	Very high	92.1	Very high	18 Å²	18	36.7 Å²	36.7	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.4	177.6	-167.2	0	0	0	0	111.3	K343 C344 V346 F380 I416	T336-K343 CarbonylContact O-C 3.5Å; T336-K343 WeakPolarHBondContact O-CA 3.36Å; T336-C344 WeakPolarHBondContact CG2-SG 3.4Å; T336-C344 PolarHBondContact N-O 3.39Å; T336-C344 PolarHBondContact O-N 3.32Å; T336-V346 HydrophobicContact CG2-CG2 3.66Å; T336-F380 HydrophobicContact CG2-CD1 4.27Å; T336-F380 HydrophobicContact CG2-CD2 4.46Å; T336-F380 HydrophobicContact CG2-CE1 3.86Å; T336-F380 HydrophobicContact CG2-CE2 4.05Å; T336-F380 HydrophobicContact CG2-CZ 3.76Å; T336-I416 HydrophobicContact CG2-CG2 4.46Å
337	A	90.1	Very high	92.3	Very high	36 Å²	36	36.1 Å²	36.1	30%	0.298	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	141.9	171.6	0	0	0	0	0	109.9	G342 L386	A337-G342 WeakPolarHBondContact CA-O 3.31Å; A337-L386 HydrophobicContact CB-CB 3.94Å; A337-L386 HydrophobicContact CB-CD1 4.02Å; A337-L386 WeakPolarHBondContact O-CD1 3.48Å
338	C	89.9	Confident	92.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	127.2	-178.1	175.1	0	0	0	0	110.3	Y341 G342 C344 I415 I416	C338-Y341 CarbonylContact O-C 3.59Å; C338-Y341 PolarHBondContact O-N 3.36Å; C338-G342 PolarHBondContact N-O 3.31Å; C338-G342 CarbonylContact O-C 3.57Å; C338-G342 VanDerWaalsContact O-CA 3.24Å; C338-G342 WeakPolarHBondContact O-CA 3.19Å; C338-G342 PolarHBondContact O-N 3.12Å; C338-C344 HydrophobicContact CB-CB 3.74Å; C338-C344 VanDerWaalsContact CB-SG 3.54Å; C338-I415 WeakPolarHBondContact CA-O 3.24Å; C338-I416 HydrophobicContact CB-CG2 3.81Å
339	H	85.8	Confident	92.6	Very high	44 Å²	44	21.8 Å²	21.8	20%	0.204	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	139.5	167.3	175.8	-73.4	0	0	0	109.6	L386 L394 I415	H339-L386 HydrophobicContact CB-CD2 3.7Å; H339-L394 HydrophobicContact CB-CD2 3.84Å; H339-L394 VanDerWaalsContact CD2-CD2 3.45Å; H339-L394 WeakPolarHBondContact CD2-CD2 3.4Å; H339-I415 HydrophobicContact CB-CB 4.23Å; H339-I415 PolarHBondContact N-O 2.88Å; H339-I415 PolarHBondContact O-N 3.01Å
340	P	84.7	Confident	92.5	Very high	44 Å²	44	23.5 Å²	23.5	29%	0.286	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.6	-2.8	3.4	30.1	-29.3	0	0	0	115.5	G342 E412	P340-G342 VanDerWaalsContact C-N 3.25Å; P340-G342 PolarHBondContact O-N 3.29Å; P340-E412 HydrophobicContact CG-CB 4.06Å; P340-E412 WeakPolarHBondContact CG-OE2 3.47Å
341	Y	86	Confident	92.3	Very high	76 Å²	76	24.8 Å²	24.8	30%	0.298	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.3	-169.6	-61	-82.1	0	0	0	115.7	C338 K343 D358 L364 T408	C338-Y341 CarbonylContact O-C 3.59Å; C338-Y341 PolarHBondContact O-N 3.36Å; Y341-K343 VanDerWaalsContact C-N 3.26Å; Y341-K343 PolarHBondContact O-N 3.21Å; Y341-D358 HydrophobicContact CD1-CB 4.23Å; Y341-D358 HydrophobicContact CG-CB 4.45Å; Y341-L364 HydrophobicContact CD1-CD2 4.32Å; Y341-L364 HydrophobicContact CD2-CD1 3.62Å; Y341-L364 HydrophobicContact CD2-CD2 3.68Å; Y341-L364 HydrophobicContact CD2-CG 4.28Å; Y341-L364 HydrophobicContact CE1-CD2 4.04Å; Y341-L364 HydrophobicContact CE2-CD1 4.16Å; Y341-L364 HydrophobicContact CE2-CD2 3.35Å; Y341-L364 HydrophobicContact CE2-CG 4.33Å; Y341-L364 HydrophobicContact CG-CD1 4.03Å; Y341-L364 HydrophobicContact CG-CD2 4.17Å; Y341-T408 WeakPolarHBondContact OH-CB 3.49Å; Y341-T408 WeakPolarHBondContact OH-CG2 3.41Å; Y341-T408 PolarHBondContact OH-OG1 2.77Å
342	G	86.9	Confident	92.2	Very high	36 Å²	36	22.6 Å²	22.6	37%	0.371	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-64.5	-173	0	0	0	0	0	112.8	A337 C338 P340	A337-G342 WeakPolarHBondContact CA-O 3.31Å; C338-G342 PolarHBondContact N-O 3.31Å; C338-G342 CarbonylContact O-C 3.57Å; C338-G342 VanDerWaalsContact O-CA 3.24Å; C338-G342 WeakPolarHBondContact O-CA 3.19Å; C338-G342 PolarHBondContact O-N 3.12Å; P340-G342 VanDerWaalsContact C-N 3.25Å; P340-G342 PolarHBondContact O-N 3.29Å
343	K	89.2	Confident	92.1	Very high	68 Å²	68	23.7 Å²	23.7	30%	0.296	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.8	-179.4	-66.8	175.3	-176.9	162.1	0	110.5	P283 D284 T336 Y341 C359	P283-K343 HydrophobicContact CB-CD 3.69Å; P283-K343 HydrophobicContact CG-CD 3.9Å; D284-K343 IonicContact OD2-NZ 2.73Å; D284-K343 PolarHBondContact OD2-NZ 3.28Å; T336-K343 CarbonylContact O-C 3.5Å; T336-K343 WeakPolarHBondContact O-CA 3.36Å; Y341-K343 VanDerWaalsContact C-N 3.26Å; Y341-K343 PolarHBondContact O-N 3.21Å; K343-C359 PolarHBondContact O-SG 2.91Å
344	C	92.6	Very high	92.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.6	176.1	72.2	0	0	0	0	111.7	T335 T336 C338 F357 L364	T335-C344 VanDerWaalsContact CA-O 3.31Å; T335-C344 WeakPolarHBondContact CA-O 3.46Å; T336-C344 WeakPolarHBondContact CG2-SG 3.4Å; T336-C344 PolarHBondContact N-O 3.39Å; T336-C344 PolarHBondContact O-N 3.32Å; C338-C344 HydrophobicContact CB-CB 3.74Å; C338-C344 VanDerWaalsContact CB-SG 3.54Å; C344-F357 CarbonylContact C-O 3.48Å; C344-F357 WeakPolarHBondContact CA-O 3.16Å; C344-F357 WeakPolarHBondContact CB-O 3.32Å; C344-L364 HydrophobicContact CB-CD1 3.96Å
345	I	95.6	Very high	92.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134	173.1	-58.8	165.1	0	0	0	107.5	I282 I289 L333 T335 T347 F356 F357 F361	I282-I345 HydrophobicContact CD1-CD1 3.86Å; I282-I345 HydrophobicContact CG1-CD1 4.34Å; I289-I345 HydrophobicContact CD1-CD1 3.99Å; I289-I345 HydrophobicContact CD1-CG1 4.13Å; I289-I345 HydrophobicContact CD1-CG2 3.76Å; L333-I345 HydrophobicContact CD1-CG2 3.68Å; T335-I345 HydrophobicContact CG2-CG1 4.37Å; I345-T347 HydrophobicContact CG2-CG2 4.41Å; I345-F356 CarbonylContact O-C 3.59Å; I345-F356 WeakPolarHBondContact O-CA 3.44Å; I345-F357 HydrophobicContact CB-CB 4.36Å; I345-F357 PolarHBondContact N-O 3.17Å; I345-F357 PolarHBondContact O-N 3.2Å; I345-F361 HydrophobicContact CD1-CD1 3.74Å; I345-F361 HydrophobicContact CD1-CE1 3.58Å
346	V	96.8	Very high	92.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.8	-179.8	-167.1	0	0	0	0	109.1	L333 T334 T336 V354 K355 F356 I378 F380	L333-V346 WeakPolarHBondContact CA-O 3.45Å; T334-V346 HydrophobicContact CG2-CB 3.87Å; T334-V346 HydrophobicContact CG2-CG2 4.42Å; T334-V346 PolarHBondContact N-O 2.8Å; T334-V346 PolarHBondContact O-N 3.29Å; T336-V346 HydrophobicContact CG2-CG2 3.66Å; V346-V354 HydrophobicContact CG1-CG1 3.82Å; V346-K355 WeakPolarHBondContact CA-O 3.46Å; V346-F356 HydrophobicContact CB-CD1 4.28Å; V346-F356 HydrophobicContact CB-CE1 4.26Å; V346-F356 HydrophobicContact CG1-CD1 3.96Å; V346-F356 HydrophobicContact CG1-CE1 3.62Å; V346-F356 HydrophobicContact CG1-CZ 4.04Å; V346-F356 HydrophobicContact CG2-CD1 3.57Å; V346-F356 HydrophobicContact CG2-CE1 3.65Å; V346-I378 HydrophobicContact CG1-CD1 3.88Å; V346-I378 HydrophobicContact CG1-CG2 4.43Å; V346-F380 HydrophobicContact CB-CE2 4.5Å; V346-F380 HydrophobicContact CB-CZ 4.33Å; V346-F380 HydrophobicContact CG1-CZ 4.12Å; V346-F380 HydrophobicContact CG2-CE2 4.1Å; V346-F380 HydrophobicContact CG2-CZ 3.78Å
347	T	97.1	Very high	92.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.9	-177.8	47.8	0	0	0	0	109.8	L325 H326 I330 F332 L333 I345 V354 K355 F357	L325-T347 HydrophobicContact CD1-CG2 4.35Å; H326-T347 PolarHBondContact NE2-OG1 2.92Å; I330-T347 HydrophobicContact CG2-CG2 4.39Å; F332-T347 WeakPolarHBondContact O-CA 3.28Å; L333-T347 HydrophobicContact CD1-CG2 3.57Å; I345-T347 HydrophobicContact CG2-CG2 4.41Å; T347-V354 CarbonylContact O-C 3.59Å; T347-V354 VanDerWaalsContact O-CA 3.27Å; T347-V354 WeakPolarHBondContact O-CA 3.37Å; T347-K355 PolarHBondContact N-O 3.24Å; T347-K355 PolarHBondContact O-N 3.16Å; T347-K355 PolarHBondContact OG1-O 2.84Å; T347-F357 HydrophobicContact CG2-CE2 4.45Å; T347-F357 WeakPolarHBondContact OG1-CE2 3.47Å
348	G	95.6	Very high	92.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.9	168.5	0	0	0	0	0	109.8	I330 T331 F332 Q353	I330-G348 CarbonylContact C-O 3.54Å; I330-G348 WeakPolarHBondContact CA-O 3.41Å; T331-G348 PolarHBondContact N-O 2.83Å; T331-G348 PolarHBondContact OG1-O 3.44Å; F332-G348 PolarHBondContact N-O 2.73Å; F332-G348 PolarHBondContact O-N 2.91Å; G348-Q353 WeakPolarHBondContact CA-O 3.4Å
349	D	95	Very high	92.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	173.2	178.9	76.8	18.3	0	0	0	114.6	H326 G329 T331 S351 G352 Q353 V375	H326-D349 HydrophobicContact CB-CB 4.33Å; H326-D349 IonicContact CE1-OD2 3.99Å; H326-D349 IonicContact CG-OD2 2.81Å; H326-D349 WeakPolarHBondContact ND1-CB 3.43Å; H326-D349 IonicContact ND1-OD2 3.93Å; H326-D349 PolarHBondContact ND1-OD2 3.23Å; G329-D349 CarbonylContact O-C 3.57Å; G329-D349 VanDerWaalsContact O-CA 3.28Å; G329-D349 WeakPolarHBondContact O-CA 3.03Å; G329-D349 WeakPolarHBondContact O-CB 3.42Å; T331-D349 PolarHBondContact OG1-O 3.02Å; D349-S351 PolarHBondContact O-N 2.81Å; D349-S351 VanDerWaalsContact OD1-CA 3.27Å; D349-S351 WeakPolarHBondContact OD1-CA 3.45Å; D349-S351 WeakPolarHBondContact OD1-CB 3.01Å; D349-S351 PolarHBondContact OD1-N 2.89Å; D349-S351 PolarHBondContact OD1-OG 2.83Å; D349-S351 PolarHBondContact OD2-OG 2.75Å; D349-S351 VanDerWaalsContact OD2-OG 3.1Å; D349-G352 PolarHBondContact O-N 3.09Å; D349-G352 VanDerWaalsContact O-N 3.09Å; D349-G352 PolarHBondContact OD1-N 3.49Å; D349-Q353 PolarHBondContact N-O 3.21Å; D349-Q353 PolarHBondContact OD1-N 3.2Å; D349-Q353 WeakPolarHBondContact OD2-CB 3.37Å; D349-V375 PolarHBondContact O-N 2.81Å
350	S	93.9	Very high	92.6	Very high	43 Å²	43	24.2 Å²	24.2	30%	0.301	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-4.4	178.5	64.1	0	0	0	0	115.1	K328 G329	K328-S350 WeakPolarHBondContact CB-OG 3.37Å; G329-S350 PolarHBondContact O-N 2.94Å
351	S	92.2	Very high	92.9	Very high	28 Å²	28	23.9 Å²	23.9	20%	0.196	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.3	167.7	56.5	0	0	0	0	114.4	D349 Q353	D349-S351 PolarHBondContact O-N 2.81Å; D349-S351 VanDerWaalsContact OD1-CA 3.27Å; D349-S351 WeakPolarHBondContact OD1-CA 3.45Å; D349-S351 WeakPolarHBondContact OD1-CB 3.01Å; D349-S351 PolarHBondContact OD1-N 2.89Å; D349-S351 PolarHBondContact OD1-OG 2.83Å; D349-S351 PolarHBondContact OD2-OG 2.75Å; D349-S351 VanDerWaalsContact OD2-OG 3.1Å; S351-Q353 WeakPolarHBondContact OG-CG 3.41Å
352	G	91.6	Very high	93.2	Very high	2 Å²	2	26 Å²	26	2%	0.021	15%	0.15	C	C	.	.	S	Bend	trans	89	9.7	-176.4	0	0	0	0	0	114	D349 L370 G373	D349-G352 PolarHBondContact O-N 3.09Å; D349-G352 VanDerWaalsContact O-N 3.09Å; D349-G352 PolarHBondContact OD1-N 3.49Å; G352-L370 WeakPolarHBondContact O-CB 3.06Å; G352-G373 WeakPolarHBondContact CA-O 3.46Å; G352-G373 PolarHBondContact N-O 3.04Å
353	Q	94	Very high	93.5	Very high	39 Å²	39	27.3 Å²	27.3	18%	0.182	15%	0.149	C	C	.	.			trans	-80.6	140.2	176.8	-57	-179	13.4	0	0	110.5	G348 D349 S351 Y367 Q368	G348-Q353 WeakPolarHBondContact CA-O 3.4Å; D349-Q353 PolarHBondContact N-O 3.21Å; D349-Q353 PolarHBondContact OD1-N 3.2Å; D349-Q353 WeakPolarHBondContact OD2-CB 3.37Å; S351-Q353 WeakPolarHBondContact OG-CG 3.41Å; Q353-Y367 WeakPolarHBondContact CA-O 3.39Å; Q353-Q368 HydrophobicContact CG-CG 4.2Å
354	V	95.4	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.9	171.9	177.7	0	0	0	0	108.9	V346 T347 F356 W366 Y367 L370 V375 I378 V421	V346-V354 HydrophobicContact CG1-CG1 3.82Å; T347-V354 CarbonylContact O-C 3.59Å; T347-V354 VanDerWaalsContact O-CA 3.27Å; T347-V354 WeakPolarHBondContact O-CA 3.37Å; V354-F356 HydrophobicContact CG1-CE2 3.75Å; V354-F356 HydrophobicContact CG1-CZ 3.87Å; V354-W366 CarbonylContact O-C 3.55Å; V354-W366 WeakPolarHBondContact O-CA 3.21Å; V354-Y367 PolarHBondContact N-O 3.47Å; V354-Y367 PolarHBondContact O-N 3Å; V354-L370 HydrophobicContact CG2-CD1 3.75Å; V354-V375 HydrophobicContact CG2-CG2 4.22Å; V354-I378 HydrophobicContact CB-CD1 4.37Å; V354-I378 HydrophobicContact CG1-CD1 3.72Å; V354-I378 HydrophobicContact CG2-CD1 3.8Å; V354-I378 HydrophobicContact CG2-CG1 4.44Å; V354-V421 HydrophobicContact CG2-CG2 4.45Å
355	K	95.6	Very high	93.8	Very high	35 Å²	35	25.9 Å²	25.9	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.7	178.7	-64.6	-174.3	-173.1	178.8	0	111.4	L325 V346 T347 F357 L363 W366	L325-K355 PolarHBondContact O-NZ 3.2Å; V346-K355 WeakPolarHBondContact CA-O 3.46Å; T347-K355 PolarHBondContact N-O 3.24Å; T347-K355 PolarHBondContact O-N 3.16Å; T347-K355 PolarHBondContact OG1-O 2.84Å; K355-F357 HydrophobicContact CB-CD2 4.38Å; K355-F357 HydrophobicContact CB-CE2 3.5Å; K355-F357 HydrophobicContact CB-CZ 3.79Å; K355-F357 HydrophobicContact CD-CE2 4.35Å; K355-F357 HydrophobicContact CD-CZ 3.85Å; K355-F357 HydrophobicContact CG-CZ 4.48Å; K355-L363 HydrophobicContact CB-CD1 4.08Å; K355-L363 HydrophobicContact CD-CD1 4.2Å; K355-L363 HydrophobicContact CG-CD1 4.34Å; K355-W366 HydrophobicContact CB-CB 4.43Å; K355-W366 HydrophobicContact CG-CB 3.81Å
356	F	96.1	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.1	178.8	-60.6	-95.3	0	0	0	109.6	I345 V346 V354 L364 F365 Y367 F380 F414 I416 F419	I345-F356 CarbonylContact O-C 3.59Å; I345-F356 WeakPolarHBondContact O-CA 3.44Å; V346-F356 HydrophobicContact CB-CD1 4.28Å; V346-F356 HydrophobicContact CB-CE1 4.26Å; V346-F356 HydrophobicContact CG1-CD1 3.96Å; V346-F356 HydrophobicContact CG1-CE1 3.62Å; V346-F356 HydrophobicContact CG1-CZ 4.04Å; V346-F356 HydrophobicContact CG2-CD1 3.57Å; V346-F356 HydrophobicContact CG2-CE1 3.65Å; V354-F356 HydrophobicContact CG1-CE2 3.75Å; V354-F356 HydrophobicContact CG1-CZ 3.87Å; F356-L364 HydrophobicContact CB-CB 4.4Å; F356-L364 PolarHBondContact O-N 2.97Å; F356-F365 HydrophobicContact CB-CB 4.44Å; F356-F365 HydrophobicContact CD2-CB 4.25Å; F356-F365 HydrophobicContact CD2-CD1 4.4Å; F356-F365 PolarHBondContact N-O 2.91Å; F356-F365 PolarHBondContact O-N 2.96Å; F356-Y367 AromaticContact CE2-CD2 3.73Å; F356-Y367 HydrophobicContact CE2-CD2 3.73Å; F356-Y367 AromaticContact CE2-CE2 3.7Å; F356-Y367 HydrophobicContact CE2-CE2 3.7Å; F356-Y367 HydrophobicContact CZ-CD2 4.44Å; F356-Y367 HydrophobicContact CZ-CE2 4.19Å; F356-F380 HydrophobicContact CE1-CE1 4.26Å; F356-F380 HydrophobicContact CE1-CZ 4.07Å; F356-F414 HydrophobicContact CB-CE2 4.04Å; F356-F414 HydrophobicContact CB-CZ 3.82Å; F356-F414 AromaticContact CD1-CZ 3.69Å; F356-F414 HydrophobicContact CD1-CZ 3.69Å; F356-F414 HydrophobicContact CD2-CE1 4.32Å; F356-F414 AromaticContact CD2-CZ 3.89Å; F356-F414 HydrophobicContact CD2-CZ 3.89Å; F356-F414 HydrophobicContact CE1-CZ 4.22Å; F356-F414 HydrophobicContact CE2-CZ 4.39Å; F356-F414 HydrophobicContact CG-CE1 4.37Å; F356-F414 HydrophobicContact CG-CE2 4.24Å; F356-F414 AromaticContact CG-CZ 3.52Å; F356-F414 HydrophobicContact CG-CZ 3.52Å; F356-I416 HydrophobicContact CD1-CD1 4.14Å; F356-I416 HydrophobicContact CE1-CD1 3.37Å; F356-I416 HydrophobicContact CE2-CD1 4.36Å; F356-I416 HydrophobicContact CZ-CD1 3.51Å; F356-F419 AromaticContact CZ-CE1 3.96Å; F356-F419 HydrophobicContact CZ-CE1 3.96Å; F356-F419 HydrophobicContact CZ-CZ 4.01Å
357	F	95.3	Very high	93.4	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.044	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.5	179.8	-57.3	-91.1	0	0	0	110.4	L325 C344 I345 T347 K355 M362 L363	L325-F357 HydrophobicContact CB-CE2 4.27Å; L325-F357 HydrophobicContact CB-CZ 3.9Å; L325-F357 HydrophobicContact CD1-CD2 4.24Å; L325-F357 HydrophobicContact CD1-CE2 3.93Å; L325-F357 HydrophobicContact CD1-CZ 4.17Å; L325-F357 HydrophobicContact CD2-CD1 4.18Å; L325-F357 HydrophobicContact CD2-CE1 3.74Å; L325-F357 HydrophobicContact CD2-CE2 4.4Å; L325-F357 HydrophobicContact CD2-CZ 3.86Å; L325-F357 HydrophobicContact CG-CE2 4.45Å; L325-F357 HydrophobicContact CG-CZ 4.2Å; C344-F357 CarbonylContact C-O 3.48Å; C344-F357 WeakPolarHBondContact CA-O 3.16Å; C344-F357 WeakPolarHBondContact CB-O 3.32Å; I345-F357 HydrophobicContact CB-CB 4.36Å; I345-F357 PolarHBondContact N-O 3.17Å; I345-F357 PolarHBondContact O-N 3.2Å; T347-F357 HydrophobicContact CG2-CE2 4.45Å; T347-F357 WeakPolarHBondContact OG1-CE2 3.47Å; K355-F357 HydrophobicContact CB-CD2 4.38Å; K355-F357 HydrophobicContact CB-CE2 3.5Å; K355-F357 HydrophobicContact CB-CZ 3.79Å; K355-F357 HydrophobicContact CD-CE2 4.35Å; K355-F357 HydrophobicContact CD-CZ 3.85Å; K355-F357 HydrophobicContact CG-CZ 4.48Å; F357-M362 CarbonylContact C-O 3.53Å; F357-M362 WeakPolarHBondContact CA-O 3.45Å; F357-L363 HydrophobicContact CD1-CB 4.09Å; F357-L363 HydrophobicContact CD1-CD1 4.11Å; F357-L363 HydrophobicContact CE1-CB 3.95Å; F357-L363 HydrophobicContact CE1-CD1 3.61Å; F357-L363 HydrophobicContact CE1-CG 4.39Å; F357-L363 HydrophobicContact CZ-CD1 3.86Å
358	D	92	Very high	92.9	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.123	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	171.7	168.1	75.4	-1.8	0	0	0	110.7	Y341 S360 F361 M362 L364	Y341-D358 HydrophobicContact CD1-CB 4.23Å; Y341-D358 HydrophobicContact CG-CB 4.45Å; D358-S360 PolarHBondContact O-N 3.38Å; D358-S360 WeakPolarHBondContact OD1-CA 3.24Å; D358-S360 WeakPolarHBondContact OD1-CB 3.31Å; D358-S360 PolarHBondContact OD1-N 3.07Å; D358-F361 PolarHBondContact O-N 3.22Å; D358-F361 PolarHBondContact OD1-N 3.44Å; D358-M362 PolarHBondContact N-O 3.46Å; D358-M362 PolarHBondContact OD1-N 3.2Å; D358-L364 HydrophobicContact CB-CD1 4.05Å; D358-L364 HydrophobicContact CB-CD2 4.16Å; D358-L364 HydrophobicContact CB-CG 4.22Å
359	C	89.5	Confident	91.9	Very high	22 Å²	22	41.2 Å²	41.2	15%	0.149	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	1.8	175.6	-63.6	0	0	0	0	113.5	I282 K285 K343	I282-C359 HydrophobicContact CG2-CB 4.23Å; K285-C359 HydrophobicContact CD-CB 4.4Å; K285-C359 PolarHBondContact NZ-O 3.42Å; K343-C359 PolarHBondContact O-SG 2.91Å
360	S	89.4	Confident	91.2	Very high	79 Å²	79	41.4 Å²	41.4	55%	0.552	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	9.8	171.6	-51.1	0	0	0	0	112.1	D358 M362	D358-S360 PolarHBondContact O-N 3.38Å; D358-S360 WeakPolarHBondContact OD1-CA 3.24Å; D358-S360 WeakPolarHBondContact OD1-CB 3.31Å; D358-S360 PolarHBondContact OD1-N 3.07Å; S360-M362 VanDerWaalsContact C-N 3.32Å; S360-M362 PolarHBondContact O-N 3.22Å
361	F	91.9	Very high	90.4	Very high	37 Å²	37	46.9 Å²	46.9	16%	0.162	23%	0.232	C	C	.	.	S	Bend	trans	69.5	18.9	177.4	-43.3	-78	0	0	0	115.3	I282 I289 L297 I299 I323 I345 D358	I282-F361 HydrophobicContact CD1-CE1 4Å; I282-F361 HydrophobicContact CD1-CZ 3.89Å; I289-F361 HydrophobicContact CG2-CE1 4.13Å; I289-F361 HydrophobicContact CG2-CZ 4.41Å; L297-F361 HydrophobicContact CD2-CD1 3.87Å; L297-F361 HydrophobicContact CD2-CE1 3.77Å; I299-F361 HydrophobicContact CD1-CD1 4.46Å; I299-F361 HydrophobicContact CD1-CD2 4.05Å; I299-F361 HydrophobicContact CD1-CE1 3.88Å; I299-F361 HydrophobicContact CD1-CE2 3.41Å; I299-F361 VanDerWaalsContact CD1-CE2 3.41Å; I299-F361 HydrophobicContact CD1-CZ 3.31Å; I299-F361 HydrophobicContact CG1-CE1 4.35Å; I299-F361 HydrophobicContact CG1-CZ 4.01Å; I323-F361 HydrophobicContact CD1-CB 3.83Å; I323-F361 HydrophobicContact CD1-CD1 4.15Å; I323-F361 HydrophobicContact CD1-CD2 3.6Å; I323-F361 HydrophobicContact CD1-CE2 4.22Å; I323-F361 HydrophobicContact CD1-CG 3.57Å; I345-F361 HydrophobicContact CD1-CD1 3.74Å; I345-F361 HydrophobicContact CD1-CE1 3.58Å; D358-F361 PolarHBondContact O-N 3.22Å; D358-F361 PolarHBondContact OD1-N 3.44Å
362	M	92.2	Very high	90	Very high	121 Å²	121	49.4 Å²	49.4	60%	0.596	24%	0.239	S	C	*	.			trans	-85.5	134	173.1	-64.5	-60	-63.7	0	0	110.6	F357 D358 S360 L364	F357-M362 CarbonylContact C-O 3.53Å; F357-M362 WeakPolarHBondContact CA-O 3.45Å; D358-M362 PolarHBondContact N-O 3.46Å; D358-M362 PolarHBondContact OD1-N 3.2Å; S360-M362 VanDerWaalsContact C-N 3.32Å; S360-M362 PolarHBondContact O-N 3.22Å; M362-L364 PolarHBondContact O-N 3.5Å
363	L	93.5	Very high	89.8	Confident	63 Å²	63	49.9 Å²	49.9	33%	0.33	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126	-179.1	-176.4	69.9	0	0	0	111	K355 F357 W366	K355-L363 HydrophobicContact CB-CD1 4.08Å; K355-L363 HydrophobicContact CD-CD1 4.2Å; K355-L363 HydrophobicContact CG-CD1 4.34Å; F357-L363 HydrophobicContact CD1-CB 4.09Å; F357-L363 HydrophobicContact CD1-CD1 4.11Å; F357-L363 HydrophobicContact CE1-CB 3.95Å; F357-L363 HydrophobicContact CE1-CD1 3.61Å; F357-L363 HydrophobicContact CE1-CG 4.39Å; F357-L363 HydrophobicContact CZ-CD1 3.86Å; L363-W366 HydrophobicContact CD2-CE3 3.76Å; L363-W366 HydrophobicContact CD2-CZ3 4.04Å; L363-W366 HydrophobicContact CG-CE3 4.29Å
364	L	93.6	Very high	89.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-46.4	178.2	-62.5	-178.4	0	0	0	112.1	Y341 C344 F356 D358 M362 C406 A407 T408 F414	Y341-L364 HydrophobicContact CD1-CD2 4.32Å; Y341-L364 HydrophobicContact CD2-CD1 3.62Å; Y341-L364 HydrophobicContact CD2-CD2 3.68Å; Y341-L364 HydrophobicContact CD2-CG 4.28Å; Y341-L364 HydrophobicContact CE1-CD2 4.04Å; Y341-L364 HydrophobicContact CE2-CD1 4.16Å; Y341-L364 HydrophobicContact CE2-CD2 3.35Å; Y341-L364 HydrophobicContact CE2-CG 4.33Å; Y341-L364 HydrophobicContact CG-CD1 4.03Å; Y341-L364 HydrophobicContact CG-CD2 4.17Å; C344-L364 HydrophobicContact CB-CD1 3.96Å; F356-L364 HydrophobicContact CB-CB 4.4Å; F356-L364 PolarHBondContact O-N 2.97Å; D358-L364 HydrophobicContact CB-CD1 4.05Å; D358-L364 HydrophobicContact CB-CD2 4.16Å; D358-L364 HydrophobicContact CB-CG 4.22Å; M362-L364 PolarHBondContact O-N 3.5Å; L364-C406 CarbonylContact O-C 3.51Å; L364-C406 WeakPolarHBondContact O-CA 3.32Å; L364-A407 WeakPolarHBondContact O-CB 3.46Å; L364-A407 PolarHBondContact O-N 2.93Å; L364-T408 HydrophobicContact CD2-CG2 3.87Å; L364-F414 HydrophobicContact CB-CD2 4.35Å; L364-F414 HydrophobicContact CB-CE2 4.14Å
365	F	93.9	Very high	89.8	Confident	39 Å²	39	49.9 Å²	49.9	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	162.7	-177.4	-164.6	-104.5	0	0	0	110.8	F356 Y367 P404 F414	F356-F365 HydrophobicContact CB-CB 4.44Å; F356-F365 HydrophobicContact CD2-CB 4.25Å; F356-F365 HydrophobicContact CD2-CD1 4.4Å; F356-F365 PolarHBondContact N-O 2.91Å; F356-F365 PolarHBondContact O-N 2.96Å; F365-Y367 HydrophobicContact CD1-CD2 4.45Å; F365-Y367 HydrophobicContact CD1-CE2 4.05Å; F365-Y367 HydrophobicContact CE1-CD1 4.21Å; F365-Y367 HydrophobicContact CE1-CD2 4.3Å; F365-Y367 AromaticContact CE1-CE1 3.83Å; F365-Y367 HydrophobicContact CE1-CE1 3.83Å; F365-Y367 AromaticContact CE1-CE2 3.88Å; F365-Y367 HydrophobicContact CE1-CE2 3.88Å; F365-Y367 HydrophobicContact CE1-CG 4.44Å; F365-Y367 AromaticContact CE1-CZ 3.64Å; F365-P404 HydrophobicContact CD2-CB 4.26Å; F365-P404 HydrophobicContact CE1-CB 4.41Å; F365-P404 HydrophobicContact CE1-CG 4.45Å; F365-P404 HydrophobicContact CE2-CB 3.53Å; F365-P404 HydrophobicContact CE2-CG 4.31Å; F365-P404 HydrophobicContact CZ-CB 3.62Å; F365-P404 HydrophobicContact CZ-CG 4.13Å; F365-F414 HydrophobicContact CB-CD1 3.86Å; F365-F414 HydrophobicContact CB-CD2 3.94Å; F365-F414 HydrophobicContact CB-CE1 3.81Å; F365-F414 HydrophobicContact CB-CE2 3.9Å; F365-F414 HydrophobicContact CB-CG 3.93Å; F365-F414 HydrophobicContact CB-CZ 3.84Å; F365-F414 HydrophobicContact CD1-CD1 4.02Å; F365-F414 AromaticContact CD1-CE1 3.92Å; F365-F414 HydrophobicContact CD1-CE1 3.92Å; F365-F414 HydrophobicContact CD2-CD1 4.47Å; F365-F414 AromaticContact CG-CD1 3.85Å; F365-F414 HydrophobicContact CG-CD1 3.85Å; F365-F414 HydrophobicContact CG-CE1 4.02Å; F365-F414 HydrophobicContact CG-CG 4.22Å
366	W	93	Very high	89.8	Confident	108 Å²	108	49.8 Å²	49.8	41%	0.409	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	150.3	173.8	70.3	97.8	0	0	0	113.5	V354 K355 L363 A407	V354-W366 CarbonylContact O-C 3.55Å; V354-W366 WeakPolarHBondContact O-CA 3.21Å; K355-W366 HydrophobicContact CB-CB 4.43Å; K355-W366 HydrophobicContact CG-CB 3.81Å; L363-W366 HydrophobicContact CD2-CE3 3.76Å; L363-W366 HydrophobicContact CD2-CZ3 4.04Å; L363-W366 HydrophobicContact CG-CE3 4.29Å; W366-A407 HydrophobicContact CZ3-CB 3.84Å
367	Y	91.5	Very high	89.7	Confident	10 Å²	10	50 Å²	50	4%	0.039	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.3	167.5	-65.6	-79.6	0	0	0	109.4	Q353 V354 F356 F365 F419 V431	Q353-Y367 WeakPolarHBondContact CA-O 3.39Å; V354-Y367 PolarHBondContact N-O 3.47Å; V354-Y367 PolarHBondContact O-N 3Å; F356-Y367 AromaticContact CE2-CD2 3.73Å; F356-Y367 HydrophobicContact CE2-CD2 3.73Å; F356-Y367 AromaticContact CE2-CE2 3.7Å; F356-Y367 HydrophobicContact CE2-CE2 3.7Å; F356-Y367 HydrophobicContact CZ-CD2 4.44Å; F356-Y367 HydrophobicContact CZ-CE2 4.19Å; F365-Y367 HydrophobicContact CD1-CD2 4.45Å; F365-Y367 HydrophobicContact CD1-CE2 4.05Å; F365-Y367 HydrophobicContact CE1-CD1 4.21Å; F365-Y367 HydrophobicContact CE1-CD2 4.3Å; F365-Y367 AromaticContact CE1-CE1 3.83Å; F365-Y367 HydrophobicContact CE1-CE1 3.83Å; F365-Y367 AromaticContact CE1-CE2 3.88Å; F365-Y367 HydrophobicContact CE1-CE2 3.88Å; F365-Y367 HydrophobicContact CE1-CG 4.44Å; F365-Y367 AromaticContact CE1-CZ 3.64Å; Y367-F419 AromaticContact CD2-CZ 3.88Å; Y367-F419 HydrophobicContact CD2-CZ 3.88Å; Y367-F419 AromaticContact CE2-CE1 3.88Å; Y367-F419 HydrophobicContact CE2-CE1 3.88Å; Y367-F419 AromaticContact CE2-CZ 3.59Å; Y367-F419 HydrophobicContact CE2-CZ 3.59Å; Y367-V431 HydrophobicContact CE1-CG1 4.14Å; Y367-V431 HydrophobicContact CE2-CG1 4.31Å
368	Q	86.6	Confident	89.8	Confident	99 Å²	99	49.7 Å²	49.7	46%	0.463	25%	0.249	S	C	.	.			trans	-97.4	-25.1	177.9	-166.7	171.6	7	0	0	113.1	Q353 L370	Q353-Q368 HydrophobicContact CG-CG 4.2Å; Q368-L370 VanDerWaalsContact C-N 3.32Å; Q368-L370 PolarHBondContact O-N 3.29Å
369	D	74.8	Confident	90	Very high	106 Å²	106	49.5 Å²	49.5	57%	0.567	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	15.8	-169	-53.4	-49.6	0	0	0	114.7	K438	D369-K438 IonicContact OD2-NZ 2.98Å
370	L	78.4	Confident	90.3	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-45.6	174.3	-63.2	173.3	0	0	0	109.8	G352 V354 Q368 F372 V421 I429 V431 K438	G352-L370 WeakPolarHBondContact O-CB 3.06Å; V354-L370 HydrophobicContact CG2-CD1 3.75Å; Q368-L370 VanDerWaalsContact C-N 3.32Å; Q368-L370 PolarHBondContact O-N 3.29Å; L370-F372 WeakPolarHBondContact O-CD2 3.24Å; L370-F372 WeakPolarHBondContact O-CE2 3.38Å; L370-F372 WeakPolarHBondContact O-CG 3.42Å; L370-F372 PolarHBondContact O-N 2.86Å; L370-V421 HydrophobicContact CD1-CG1 4.47Å; L370-V421 HydrophobicContact CD1-CG2 4.17Å; L370-I429 HydrophobicContact CB-CD1 4.35Å; L370-I429 HydrophobicContact CD2-CD1 4Å; L370-I429 HydrophobicContact CD2-CG2 4.15Å; L370-V431 HydrophobicContact CD2-CG2 4.42Å; L370-K438 HydrophobicContact CD2-CD 4.19Å
371	K	78.2	Confident	90.4	Very high	157 Å²	157	46.1 Å²	46.1	68%	0.683	22%	0.224	S	C	*	.			trans	45.6	19.6	170.2	-63.7	-173.8	-178.1	174.7	0	117.7
372	F	84.1	Confident	89.8	Confident	81 Å²	81	47.5 Å²	47.5	36%	0.355	24%	0.235	S	C	.	.	S	Bend	trans	-96.6	27.8	177.2	-68.4	-72.2	0	0	0	113.4	L370 T423 V427 I429 I440	L370-F372 WeakPolarHBondContact O-CD2 3.24Å; L370-F372 WeakPolarHBondContact O-CE2 3.38Å; L370-F372 WeakPolarHBondContact O-CG 3.42Å; L370-F372 PolarHBondContact O-N 2.86Å; F372-T423 HydrophobicContact CB-CG2 4.2Å; F372-T423 PolarHBondContact O-OG1 3.17Å; F372-V427 HydrophobicContact CB-CB 4.05Å; F372-V427 HydrophobicContact CB-CG1 4.14Å; F372-V427 HydrophobicContact CB-CG2 4.02Å; F372-V427 HydrophobicContact CD1-CG1 4.3Å; F372-V427 HydrophobicContact CD1-CG2 4.21Å; F372-V427 HydrophobicContact CD2-CG1 4.36Å; F372-V427 HydrophobicContact CG-CB 4.42Å; F372-V427 HydrophobicContact CG-CG1 4.01Å; F372-V427 HydrophobicContact CG-CG2 4.32Å; F372-I429 HydrophobicContact CB-CD1 4.33Å; F372-I429 HydrophobicContact CD2-CD1 3.42Å; F372-I429 VanDerWaalsContact CD2-CD1 3.42Å; F372-I429 HydrophobicContact CD2-CG1 4.31Å; F372-I429 HydrophobicContact CE2-CD1 4.17Å; F372-I429 HydrophobicContact CG-CD1 4.23Å; F372-I440 HydrophobicContact CE1-CD1 4.03Å; F372-I440 HydrophobicContact CE2-CD1 3.86Å; F372-I440 HydrophobicContact CE2-CG1 4.18Å; F372-I440 HydrophobicContact CZ-CD1 3.37Å; F372-I440 HydrophobicContact CZ-CG1 4.2Å
373	G	88	Confident	88.8	Confident	12 Å²	12	42.9 Å²	42.9	12%	0.124	21%	0.214	C	C	.	.	S	Bend	trans	94.6	-172.4	-179.8	0	0	0	0	0	114.2	G352	G352-G373 WeakPolarHBondContact CA-O 3.46Å; G352-G373 PolarHBondContact N-O 3.04Å
374	P	93.5	Very high	87.7	Confident	39 Å²	39	42.6 Å²	42.6	25%	0.253	22%	0.217	S	C	.	.	S	Bend	trans	-58.6	135.1	-177.2	-24.6	34.7	0	0	0	112.6	N376 T423 S424	P374-N376 PolarHBondContact O-N 3.22Å; P374-T423 CarbonylContact O-C 3.55Å; P374-T423 WeakPolarHBondContact O-CA 3.34Å; P374-T423 WeakPolarHBondContact O-CB 3.32Å; P374-S424 PolarHBondContact O-N 2.91Å
375	V	95.1	Very high	86.4	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.1	174.3	180	0	0	0	0	109.4	T331 F332 D349 V354 I378 V421	T331-V375 WeakPolarHBondContact CB-O 3.38Å; T331-V375 PolarHBondContact OG1-O 2.87Å; F332-V375 HydrophobicContact CB-CG1 4.27Å; D349-V375 PolarHBondContact O-N 2.81Å; V354-V375 HydrophobicContact CG2-CG2 4.22Å; V375-I378 HydrophobicContact CG1-CD1 4.1Å; V375-I378 HydrophobicContact CG1-CG1 3.71Å; V375-V421 HydrophobicContact CG1-CG1 4.02Å; V375-V421 HydrophobicContact CG2-CG1 4.43Å
376	N	94.7	Very high	85.3	Confident	33 Å²	33	44.1 Å²	44.1	18%	0.176	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-38.6	174	-174.9	57.8	0	0	0	112.2	Q87 F332 P374 S422	Q87-N376 VanDerWaalsContact O-CG 3.27Å; Q87-N376 PolarHBondContact O-ND2 3.09Å; F332-N376 WeakPolarHBondContact CD2-O 3.33Å; P374-N376 PolarHBondContact O-N 3.22Å; N376-S422 PolarHBondContact N-O 2.8Å
377	C	95.7	Very high	83.9	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.6	-179.9	-177.2	0	0	0	0	111.8	P90 L91 F332 V421 S422	P90-C377 HydrophobicContact CB-CB 3.96Å; L91-C377 PolarHBondContact O-SG 3.3Å; L91-C377 VanDerWaalsContact O-SG 3.36Å; F332-C377 HydrophobicContact CD2-CB 4.48Å; F332-C377 HydrophobicContact CE2-CB 4.09Å; F332-C377 HydrophobicContact CZ-CB 4.38Å; C377-V421 WeakPolarHBondContact O-CA 3.35Å; C377-S422 VanDerWaalsContact CB-OG 3.29Å; C377-S422 WeakPolarHBondContact CB-OG 3.06Å; C377-S422 PolarHBondContact N-O 2.85Å; C377-S422 VanDerWaalsContact N-O 3.14Å; C377-S422 PolarHBondContact N-OG 3.46Å; C377-S422 PolarHBondContact O-N 3.37Å
378	I	96.5	Very high	82.1	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.3	168.3	-53.3	170.6	0	0	0	107.4	F332 V346 V354 V375 F380 F419 I420 V421	F332-I378 HydrophobicContact CD1-CB 3.99Å; F332-I378 HydrophobicContact CD1-CD1 4.31Å; F332-I378 HydrophobicContact CD1-CG1 4.02Å; F332-I378 HydrophobicContact CE1-CB 3.99Å; F332-I378 VanDerWaalsContact CE1-N 3.29Å; F332-I378 VanDerWaalsContact CE1-O 3.3Å; F332-I378 WeakPolarHBondContact CE1-O 3.43Å; V346-I378 HydrophobicContact CG1-CD1 3.88Å; V346-I378 HydrophobicContact CG1-CG2 4.43Å; V354-I378 HydrophobicContact CB-CD1 4.37Å; V354-I378 HydrophobicContact CG1-CD1 3.72Å; V354-I378 HydrophobicContact CG2-CD1 3.8Å; V354-I378 HydrophobicContact CG2-CG1 4.44Å; V375-I378 HydrophobicContact CG1-CD1 4.1Å; V375-I378 HydrophobicContact CG1-CG1 3.71Å; I378-F380 HydrophobicContact CG2-CE2 3.87Å; I378-F380 HydrophobicContact CG2-CZ 3.84Å; I378-F419 HydrophobicContact CG2-CB 4.47Å; I378-F419 HydrophobicContact CG2-CD2 3.66Å; I378-F419 HydrophobicContact CG2-CE2 4.21Å; I378-F419 HydrophobicContact CG2-CG 4.27Å; I378-I420 WeakPolarHBondContact CA-O 3.43Å; I378-V421 HydrophobicContact CG1-CG2 4.5Å
379	S	96.2	Very high	80.5	Confident	19 Å²	19	54 Å²	54	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.5	-176.1	-160.6	0	0	0	0	112.4	I92 N93 F419 I420	I92-S379 WeakPolarHBondContact CA-OG 3.05Å; N93-S379 VanDerWaalsContact CB-O 3.24Å; N93-S379 WeakPolarHBondContact CB-O 3.44Å; N93-S379 PolarHBondContact N-OG 3.16Å; N93-S379 PolarHBondContact ND2-O 3.16Å; S379-F419 CarbonylContact O-C 3.56Å; S379-F419 VanDerWaalsContact O-CA 3.26Å; S379-F419 WeakPolarHBondContact O-CA 3.41Å; S379-F419 WeakPolarHBondContact O-CB 3.43Å; S379-I420 PolarHBondContact N-O 3.02Å; S379-I420 PolarHBondContact O-N 3.4Å
380	F	94.8	Very high	79.3	Confident	24 Å²	24	51.8 Å²	51.8	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.6	-171.5	-65.8	-86.9	0	0	0	113	K139 T334 T336 V346 F356 I378 I416 E417 F419	K139-F380 PolarHBondContact NZ-O 2.88Å; K139-F380 VanDerWaalsContact NZ-O 3.17Å; T334-F380 HydrophobicContact CG2-CE2 3.82Å; T336-F380 HydrophobicContact CG2-CD1 4.27Å; T336-F380 HydrophobicContact CG2-CD2 4.46Å; T336-F380 HydrophobicContact CG2-CE1 3.86Å; T336-F380 HydrophobicContact CG2-CE2 4.05Å; T336-F380 HydrophobicContact CG2-CZ 3.76Å; V346-F380 HydrophobicContact CB-CE2 4.5Å; V346-F380 HydrophobicContact CB-CZ 4.33Å; V346-F380 HydrophobicContact CG1-CZ 4.12Å; V346-F380 HydrophobicContact CG2-CE2 4.1Å; V346-F380 HydrophobicContact CG2-CZ 3.78Å; F356-F380 HydrophobicContact CE1-CE1 4.26Å; F356-F380 HydrophobicContact CE1-CZ 4.07Å; I378-F380 HydrophobicContact CG2-CE2 3.87Å; I378-F380 HydrophobicContact CG2-CZ 3.84Å; F380-I416 HydrophobicContact CE1-CD1 4.19Å; F380-E417 HydrophobicContact CB-CB 4.35Å; F380-E417 HydrophobicContact CD1-CB 4.37Å; F380-F419 HydrophobicContact CD1-CB 3.53Å; F380-F419 HydrophobicContact CD1-CD1 4.24Å; F380-F419 HydrophobicContact CD1-CG 4.18Å; F380-F419 HydrophobicContact CE1-CB 3.66Å; F380-F419 AromaticContact CE1-CD1 3.74Å; F380-F419 HydrophobicContact CE1-CD1 3.74Å; F380-F419 AromaticContact CE1-CG 3.8Å; F380-F419 HydrophobicContact CE1-CG 3.8Å; F380-F419 HydrophobicContact CG-CB 4.08Å; F380-F419 HydrophobicContact CZ-CB 4.33Å; F380-F419 HydrophobicContact CZ-CG 4.38Å
381	A	92.1	Very high	78.2	Confident	6 Å²	6	56.4 Å²	56.4	5%	0.05	29%	0.288	C	S	.	.			trans	-67.4	172.5	170.7	0	0	0	0	0	111.1	N93 T383 D418	N93-A381 PolarHBondContact ND2-N 2.97Å; A381-T383 HydrophobicContact CB-CG2 4.43Å; A381-D418 HydrophobicContact CB-CB 4.37Å; A381-D418 VanDerWaalsContact CB-O 3.3Å; A381-D418 WeakPolarHBondContact CB-O 3.44Å; A381-D418 PolarHBondContact N-O 2.78Å
382	T	80.1	Confident	76.9	Confident	67 Å²	67	53.6 Å²	53.6	41%	0.411	29%	0.289	S	S	.	.			trans	-135.4	76.8	174.6	-53.8	0	0	0	0	109.3	S95 K139 S384	S95-T382 PolarHBondContact O-N 3.36Å; K139-T382 WeakPolarHBondContact CE-OG1 3.34Å; K139-T382 PolarHBondContact NZ-OG1 2.93Å; T382-S384 VanDerWaalsContact C-N 3.26Å; T382-S384 PolarHBondContact O-N 2.56Å
383	T	71.3	Confident	75.6	Confident	23 Å²	23	52.1 Å²	52.1	14%	0.141	29%	0.289	C	S	.	.			trans	-89	10.4	178.5	59.2	0	0	0	0	112.6	D97 A381 L385 E417	D97-T383 WeakPolarHBondContact OD1-CA 3.13Å; D97-T383 WeakPolarHBondContact OD1-CB 3.32Å; A381-T383 HydrophobicContact CB-CG2 4.43Å; T383-L385 PolarHBondContact O-N 2.71Å; T383-L385 WeakPolarHBondContact OG1-CB 3.49Å; T383-L385 VanDerWaalsContact OG1-CD1 3.26Å; T383-L385 WeakPolarHBondContact OG1-CD1 3.47Å; T383-E417 WeakPolarHBondContact CB-OE2 3.36Å; T383-E417 PolarHBondContact N-OE2 3.08Å; T383-E417 PolarHBondContact OG1-OE1 2.88Å; T383-E417 PolarHBondContact OG1-OE2 2.84Å
384	S	68.8	Low	74.2	Confident	57 Å²	57	51.7 Å²	51.7	40%	0.399	28%	0.283	S	S	.	.	S	Bend	trans	55.9	11.7	-174.4	-56.5	0	0	0	0	114.6	T382 L386 T387 N390	T382-S384 VanDerWaalsContact C-N 3.26Å; T382-S384 PolarHBondContact O-N 2.56Å; S384-L386 VanDerWaalsContact C-N 3.26Å; S384-L386 PolarHBondContact O-N 3.48Å; S384-T387 PolarHBondContact O-N 3.38Å; S384-T387 PolarHBondContact O-OG1 3.05Å; S384-N390 PolarHBondContact O-ND2 2.9Å; S384-N390 VanDerWaalsContact O-ND2 3.09Å
385	L	67.7	Low	72.7	Confident	46 Å²	46	53.8 Å²	53.8	24%	0.241	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-42.5	-174.5	-124	148.5	0	0	0	110	T383 L394 E417	T383-L385 PolarHBondContact O-N 2.71Å; T383-L385 WeakPolarHBondContact OG1-CB 3.49Å; T383-L385 VanDerWaalsContact OG1-CD1 3.26Å; T383-L385 WeakPolarHBondContact OG1-CD1 3.47Å; L385-L394 HydrophobicContact CD2-CD1 4.15Å; L385-L394 WeakPolarHBondContact O-CD1 3.02Å; L385-E417 WeakPolarHBondContact CB-OE1 3.43Å; L385-E417 PolarHBondContact N-OE1 3.45Å
386	L	69.9	Low	71	Confident	26 Å²	26	60.7 Å²	60.7	14%	0.136	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	22.4	-174.5	-64.5	172.7	0	0	0	114.6	A337 H339 S384 L394 I415	A337-L386 HydrophobicContact CB-CB 3.94Å; A337-L386 HydrophobicContact CB-CD1 4.02Å; A337-L386 WeakPolarHBondContact O-CD1 3.48Å; H339-L386 HydrophobicContact CB-CD2 3.7Å; S384-L386 VanDerWaalsContact C-N 3.26Å; S384-L386 PolarHBondContact O-N 3.48Å; L386-L394 HydrophobicContact CD2-CD1 4.25Å; L386-L394 HydrophobicContact CD2-CD2 3.94Å; L386-I415 HydrophobicContact CD2-CG2 4.16Å
387	T	63.5	Low	69.5	Low	59 Å²	59	61.9 Å²	61.9	36%	0.362	34%	0.339	S	S	.	.			trans	-66.1	143.8	172.9	51	0	0	0	0	111.2	S384 K389 N390	S384-T387 PolarHBondContact O-N 3.38Å; S384-T387 PolarHBondContact O-OG1 3.05Å; T387-K389 PolarHBondContact O-N 2.85Å; T387-N390 PolarHBondContact O-N 3.2Å; T387-N390 PolarHBondContact OG1-ND2 2.95Å
388	E	54.7	Low	68.1	Low	175 Å²	175	62.9 Å²	62.9	82%	0.818	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-53.6	-32	-176.8	-69.1	-177.8	169.8	0	0	113.3	N390	E388-N390 PolarHBondContact O-N 2.88Å
389	K	51.7	Low	66.7	Low	191 Å²	191	70.5 Å²	70.5	83%	0.83	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25	176.6	-70.2	-176	178.7	177.7	0	113.6	T387	T387-K389 PolarHBondContact O-N 2.85Å
390	N	51	Low	65.6	Low	58 Å²	58	73.9 Å²	73.9	31%	0.31	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-99.9	-1.9	-173.2	-71.5	-13.7	0	0	0	113.6	S384 T387 E388 S392 S393 L394	S384-N390 PolarHBondContact O-ND2 2.9Å; S384-N390 VanDerWaalsContact O-ND2 3.09Å; T387-N390 PolarHBondContact O-N 3.2Å; T387-N390 PolarHBondContact OG1-ND2 2.95Å; E388-N390 PolarHBondContact O-N 2.88Å; N390-S392 VanDerWaalsContact C-N 3.26Å; N390-S392 PolarHBondContact O-N 3.27Å; N390-S393 WeakPolarHBondContact CA-OG 3.4Å; N390-S393 CarbonylContact O-C 3.58Å; N390-S393 PolarHBondContact O-N 3.09Å; N390-S393 PolarHBondContact O-OG 3.3Å; N390-L394 WeakPolarHBondContact O-CB 3.24Å; N390-L394 PolarHBondContact O-N 3.24Å
391	Q	53.7	Low	64.8	Low	103 Å²	103	76.5 Å²	76.5	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-60.7	-34.2	-177.2	-71.7	-175.8	-0.9	0	0	113.2	L394	Q391-L394 WeakPolarHBondContact O-CB 3.33Å
392	S	52	Low	64.5	Low	99 Å²	99	82 Å²	82	69%	0.692	45%	0.454	S	S	*	.	H	α-helix	trans	-72.5	-40.3	176.2	54.8	0	0	0	0	112.6	N390 L394 T395	N390-S392 VanDerWaalsContact C-N 3.26Å; N390-S392 PolarHBondContact O-N 3.27Å; S392-L394 VanDerWaalsContact C-N 3.32Å; S392-T395 PolarHBondContact O-OG1 3.36Å; S392-T395 VanDerWaalsContact O-OG1 3.11Å
393	S	56.7	Low	64.9	Low	50 Å²	50	79.9 Å²	79.9	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-75.4	-20.1	175.7	59.9	0	0	0	0	113.2	N390 T395 E396 S397	N390-S393 WeakPolarHBondContact CA-OG 3.4Å; N390-S393 CarbonylContact O-C 3.58Å; N390-S393 PolarHBondContact O-N 3.09Å; N390-S393 PolarHBondContact O-OG 3.3Å; S393-T395 VanDerWaalsContact C-N 3.28Å; S393-T395 PolarHBondContact O-N 3.19Å; S393-E396 PolarHBondContact O-N 2.74Å; S393-S397 PolarHBondContact O-N 2.92Å
394	L	59	Low	65.8	Low	3 Å²	3	80.2 Å²	80.2	2%	0.016	44%	0.441	C	S	.	.	H	α-helix	trans	-56.2	-44.7	179.5	-149.8	83.7	0	0	0	110.8	H339 L385 L386 N390 Q391 S392 E396 S397 I398 I415	H339-L394 HydrophobicContact CB-CD2 3.84Å; H339-L394 VanDerWaalsContact CD2-CD2 3.45Å; H339-L394 WeakPolarHBondContact CD2-CD2 3.4Å; L385-L394 HydrophobicContact CD2-CD1 4.15Å; L385-L394 WeakPolarHBondContact O-CD1 3.02Å; L386-L394 HydrophobicContact CD2-CD1 4.25Å; L386-L394 HydrophobicContact CD2-CD2 3.94Å; N390-L394 WeakPolarHBondContact O-CB 3.24Å; N390-L394 PolarHBondContact O-N 3.24Å; Q391-L394 WeakPolarHBondContact O-CB 3.33Å; S392-L394 VanDerWaalsContact C-N 3.32Å; L394-E396 PolarHBondContact O-N 3.14Å; L394-E396 VanDerWaalsContact O-N 3.16Å; L394-S397 WeakPolarHBondContact CA-OG 3.33Å; L394-S397 PolarHBondContact O-N 2.84Å; L394-S397 PolarHBondContact O-OG 2.84Å; L394-I398 HydrophobicContact CB-CD1 4.19Å; L394-I398 HydrophobicContact CD2-CD1 3.72Å; L394-I398 HydrophobicContact CG-CD1 3.64Å; L394-I398 HydrophobicContact CG-CG1 4.15Å; L394-I398 WeakPolarHBondContact O-CB 3.45Å; L394-I398 WeakPolarHBondContact O-CD1 3.25Å; L394-I398 WeakPolarHBondContact O-CG1 3.4Å; L394-I398 PolarHBondContact O-N 2.93Å; L394-I415 HydrophobicContact CD2-CD1 4.45Å
395	T	61.4	Low	66.7	Low	82 Å²	82	81.5 Å²	81.5	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-61.2	-26.6	-179.8	58.4	0	0	0	0	113.5	S392 S393 K399	S392-T395 PolarHBondContact O-OG1 3.36Å; S392-T395 VanDerWaalsContact O-OG1 3.11Å; S393-T395 VanDerWaalsContact C-N 3.28Å; S393-T395 PolarHBondContact O-N 3.19Å; T395-K399 WeakPolarHBondContact O-CG 3.44Å
396	E	60.1	Low	67.7	Low	146 Å²	146	79.5 Å²	79.5	68%	0.682	44%	0.437	S	S	*	.	H	α-helix	trans	-82.9	-39.9	171.8	-71.3	-172.6	159.9	0	0	112	S393 L394 I398 K399	S393-E396 PolarHBondContact O-N 2.74Å; L394-E396 PolarHBondContact O-N 3.14Å; L394-E396 VanDerWaalsContact O-N 3.16Å; E396-I398 VanDerWaalsContact C-N 3.3Å; E396-I398 PolarHBondContact O-N 2.92Å; E396-K399 PolarHBondContact O-N 3.39Å
397	S	63.5	Low	68.6	Low	59 Å²	59	81 Å²	81	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-69.9	-24.4	179.9	69.4	0	0	0	0	113.8	S393 L394 K401	S393-S397 PolarHBondContact O-N 2.92Å; L394-S397 WeakPolarHBondContact CA-OG 3.33Å; L394-S397 PolarHBondContact O-N 2.84Å; L394-S397 PolarHBondContact O-OG 2.84Å; S397-K401 VanDerWaalsContact O-CD 3.29Å; S397-K401 WeakPolarHBondContact O-CD 3.28Å; S397-K401 WeakPolarHBondContact O-CE 3.3Å
398	I	66.2	Low	69.7	Low	24 Å²	24	80 Å²	80	12%	0.123	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-25.1	176.8	-62.7	157.2	0	0	0	112	L394 E396 G400 K401 Y403 I415	L394-I398 HydrophobicContact CB-CD1 4.19Å; L394-I398 HydrophobicContact CD2-CD1 3.72Å; L394-I398 HydrophobicContact CG-CD1 3.64Å; L394-I398 HydrophobicContact CG-CG1 4.15Å; L394-I398 WeakPolarHBondContact O-CB 3.45Å; L394-I398 WeakPolarHBondContact O-CD1 3.25Å; L394-I398 WeakPolarHBondContact O-CG1 3.4Å; L394-I398 PolarHBondContact O-N 2.93Å; E396-I398 VanDerWaalsContact C-N 3.3Å; E396-I398 PolarHBondContact O-N 2.92Å; I398-G400 PolarHBondContact O-N 2.86Å; I398-K401 WeakPolarHBondContact O-CB 3.43Å; I398-K401 PolarHBondContact O-N 2.99Å; I398-Y403 HydrophobicContact CG2-CD2 4.21Å; I398-I415 HydrophobicContact CD1-CD1 3.14Å; I398-I415 HydrophobicContact CG1-CD1 3.5Å; I398-I415 VanDerWaalsContact CG1-CD1 3.5Å; I398-I415 HydrophobicContact CG2-CD1 4.16Å
399	K	66	Low	70.9	Confident	164 Å²	164	80.4 Å²	80.4	71%	0.713	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	114.2	-173.4	-83	175.1	-175.5	173.2	0	111.1	T395 E396	T395-K399 WeakPolarHBondContact O-CG 3.44Å; E396-K399 PolarHBondContact O-N 3.39Å
400	G	72.4	Confident	72.3	Confident	89 Å²	89	74 Å²	74	92%	0.918	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-1.1	-179.7	0	0	0	0	0	115	I398	I398-G400 PolarHBondContact O-N 2.86Å
401	K	78.8	Confident	73.8	Confident	80 Å²	80	73.8 Å²	73.8	35%	0.348	45%	0.447	S	S	.	.			trans	-88.4	142.7	173.9	-63.6	-169.5	162.6	-147	0	111.5	S397 I398 Y403 E434	S397-K401 VanDerWaalsContact O-CD 3.29Å; S397-K401 WeakPolarHBondContact O-CD 3.28Å; S397-K401 WeakPolarHBondContact O-CE 3.3Å; I398-K401 WeakPolarHBondContact O-CB 3.43Å; I398-K401 PolarHBondContact O-N 2.99Å; K401-Y403 HydrophobicContact CB-CD2 3.78Å; K401-Y403 HydrophobicContact CB-CE2 3.57Å; K401-Y403 HydrophobicContact CD-CE2 3.7Å; K401-Y403 HydrophobicContact CG-CE2 4.3Å; K401-Y403 PolarHBondContact O-N 2.75Å; K401-E434 HydrophobicContact CB-CG 4.35Å; K401-E434 WeakPolarHBondContact CD-OE1 3.33Å; K401-E434 WeakPolarHBondContact CE-OE1 3.35Å; K401-E434 WeakPolarHBondContact CG-OE1 3.03Å; K401-E434 IonicContact NZ-OE1 2.68Å; K401-E434 IonicContact NZ-OE2 2.88Å; K401-E434 PolarHBondContact NZ-OE2 2.98Å
402	D	86.2	Confident	75.3	Confident	120 Å²	120	73.1 Å²	73.1	64%	0.642	44%	0.444	S	S	*	.			trans	-91.5	79.9	-176.4	-172.4	24.8	0	0	0	111	G435	D402-G435 WeakPolarHBondContact O-CA 3.4Å; D402-G435 PolarHBondContact O-N 3.31Å
403	Y	88.1	Confident	77	Confident	24 Å²	24	70.7 Å²	70.7	9%	0.094	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-94.2	144.5	174.9	-75.1	-80.4	0	0	0	111.3	I398 K401 I415 V433 E434	I398-Y403 HydrophobicContact CG2-CD2 4.21Å; K401-Y403 HydrophobicContact CB-CD2 3.78Å; K401-Y403 HydrophobicContact CB-CE2 3.57Å; K401-Y403 HydrophobicContact CD-CE2 3.7Å; K401-Y403 HydrophobicContact CG-CE2 4.3Å; K401-Y403 PolarHBondContact O-N 2.75Å; Y403-I415 HydrophobicContact CD1-CG1 3.91Å; Y403-I415 HydrophobicContact CD2-CD1 4.43Å; Y403-I415 HydrophobicContact CD2-CG1 4.11Å; Y403-I415 HydrophobicContact CE1-CG1 4.3Å; Y403-I415 HydrophobicContact CE1-CG2 4.14Å; Y403-I415 HydrophobicContact CE2-CG1 4.44Å; Y403-I415 HydrophobicContact CG-CG1 3.83Å; Y403-V433 HydrophobicContact CD1-CG1 4.05Å; Y403-V433 HydrophobicContact CE1-CG1 4.33Å; Y403-E434 HydrophobicContact CE1-CB 3.92Å; Y403-E434 HydrophobicContact CE2-CG 4.48Å
404	P	89.4	Confident	78.6	Confident	29 Å²	29	68.3 Å²	68.3	19%	0.188	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-61.2	154.8	172.7	26.3	-33.6	0	0	0	111.1	F365 F414 V433	F365-P404 HydrophobicContact CD2-CB 4.26Å; F365-P404 HydrophobicContact CE1-CB 4.41Å; F365-P404 HydrophobicContact CE1-CG 4.45Å; F365-P404 HydrophobicContact CE2-CB 3.53Å; F365-P404 HydrophobicContact CE2-CG 4.31Å; F365-P404 HydrophobicContact CZ-CB 3.62Å; F365-P404 HydrophobicContact CZ-CG 4.13Å; P404-F414 HydrophobicContact CG-CB 4.31Å; P404-F414 HydrophobicContact CG-CD1 4.03Å; P404-F414 WeakPolarHBondContact O-CB 3.18Å; P404-F414 PolarHBondContact O-N 2.9Å; P404-V433 WeakPolarHBondContact CD-O 3.17Å; P404-V433 HydrophobicContact CG-CG1 4.23Å
405	T	89.4	Confident	80.1	Confident	85 Å²	85	68.2 Å²	68.2	52%	0.521	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-91.1	142.5	175.8	54.1	0	0	0	0	111.2
406	C	88.2	Confident	81.5	Confident	4 Å²	4	64.4 Å²	64.4	3%	0.027	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-59.9	145.5	170.4	-61.9	0	0	0	0	110.5	L364 T408 E412	L364-C406 CarbonylContact O-C 3.51Å; L364-C406 WeakPolarHBondContact O-CA 3.32Å; C406-T408 HydrophobicContact CB-CG2 4.38Å; C406-T408 PolarHBondContact O-N 3.15Å; C406-E412 WeakPolarHBondContact CB-O 3.33Å; C406-E412 PolarHBondContact N-O 2.83Å; C406-E412 PolarHBondContact SG-O 3.37Å
407	A	87.6	Confident	83	Confident	57 Å²	57	58.1 Å²	58.1	47%	0.471	36%	0.356	S	S	.	.	S	Bend	trans	-72.5	14.8	174	0	0	0	0	0	113.6	L364 W366	L364-A407 WeakPolarHBondContact O-CB 3.46Å; L364-A407 PolarHBondContact O-N 2.93Å; W366-A407 HydrophobicContact CZ3-CB 3.84Å
408	T	86.9	Confident	84.4	Confident	38 Å²	38	57.8 Å²	57.8	23%	0.233	35%	0.349	C	S	.	.	S	Bend	trans	-91.4	161.2	178.7	63.4	0	0	0	0	110.6	Y341 L364 C406 G410 A411	Y341-T408 WeakPolarHBondContact OH-CB 3.49Å; Y341-T408 WeakPolarHBondContact OH-CG2 3.41Å; Y341-T408 PolarHBondContact OH-OG1 2.77Å; L364-T408 HydrophobicContact CD2-CG2 3.87Å; C406-T408 HydrophobicContact CB-CG2 4.38Å; C406-T408 PolarHBondContact O-N 3.15Å; T408-G410 PolarHBondContact O-N 2.83Å; T408-G410 VanDerWaalsContact O-N 3.13Å; T408-A411 PolarHBondContact O-N 2.8Å
409	I	80.9	Confident	85.8	Confident	183 Å²	183	56.7 Å²	56.7	94%	0.938	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.2	-176.2	-60.4	169.4	0	0	0	112	A411	I409-A411 VanDerWaalsContact C-N 3.28Å; I409-A411 PolarHBondContact O-N 2.89Å
410	G	80.1	Confident	87.2	Confident	57 Å²	57	49 Å²	49	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.7	177.7	0	0	0	0	0	114.5	T408 E412	T408-G410 PolarHBondContact O-N 2.83Å; T408-G410 VanDerWaalsContact O-N 3.13Å; G410-E412 PolarHBondContact O-N 2.83Å; G410-E412 VanDerWaalsContact O-N 3.09Å
411	A	82.8	Confident	88.4	Confident	53 Å²	53	44.8 Å²	44.8	44%	0.438	27%	0.266	S	S	.	.			trans	47.7	35.4	-177.8	0	0	0	0	0	113.8	T408 I409	T408-A411 PolarHBondContact O-N 2.8Å; I409-A411 VanDerWaalsContact C-N 3.28Å; I409-A411 PolarHBondContact O-N 2.89Å
412	E	86.3	Confident	89.2	Confident	90 Å²	90	41 Å²	41	42%	0.421	25%	0.25	S	S	.	.			trans	-66.8	152.3	-179.6	-66.2	-179.5	130.1	0	0	110.9	P340 C406 G410 F414	P340-E412 HydrophobicContact CG-CB 4.06Å; P340-E412 WeakPolarHBondContact CG-OE2 3.47Å; C406-E412 WeakPolarHBondContact CB-O 3.33Å; C406-E412 PolarHBondContact N-O 2.83Å; C406-E412 PolarHBondContact SG-O 3.37Å; G410-E412 PolarHBondContact O-N 2.83Å; G410-E412 VanDerWaalsContact O-N 3.09Å; E412-F414 PolarHBondContact O-N 2.56Å
413	P	87.9	Confident	89.6	Confident	48 Å²	48	35.4 Å²	35.4	31%	0.312	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-62	123.7	179.5	25.5	-34	0	0	0	110.7	I415	P413-I415 HydrophobicContact CB-CD1 4.18Å; P413-I415 HydrophobicContact CB-CG1 4.28Å; P413-I415 HydrophobicContact CG-CD1 4.36Å; P413-I415 PolarHBondContact O-N 3.04Å
414	F	90.3	Very high	89.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.233	C	C	.	.			trans	-82.1	106.2	175.9	178.7	-104.1	0	0	0	109.3	F356 L364 F365 P404 E412 I416	F356-F414 HydrophobicContact CB-CE2 4.04Å; F356-F414 HydrophobicContact CB-CZ 3.82Å; F356-F414 AromaticContact CD1-CZ 3.69Å; F356-F414 HydrophobicContact CD1-CZ 3.69Å; F356-F414 HydrophobicContact CD2-CE1 4.32Å; F356-F414 AromaticContact CD2-CZ 3.89Å; F356-F414 HydrophobicContact CD2-CZ 3.89Å; F356-F414 HydrophobicContact CE1-CZ 4.22Å; F356-F414 HydrophobicContact CE2-CZ 4.39Å; F356-F414 HydrophobicContact CG-CE1 4.37Å; F356-F414 HydrophobicContact CG-CE2 4.24Å; F356-F414 AromaticContact CG-CZ 3.52Å; F356-F414 HydrophobicContact CG-CZ 3.52Å; L364-F414 HydrophobicContact CB-CD2 4.35Å; L364-F414 HydrophobicContact CB-CE2 4.14Å; F365-F414 HydrophobicContact CB-CD1 3.86Å; F365-F414 HydrophobicContact CB-CD2 3.94Å; F365-F414 HydrophobicContact CB-CE1 3.81Å; F365-F414 HydrophobicContact CB-CE2 3.9Å; F365-F414 HydrophobicContact CB-CG 3.93Å; F365-F414 HydrophobicContact CB-CZ 3.84Å; F365-F414 HydrophobicContact CD1-CD1 4.02Å; F365-F414 AromaticContact CD1-CE1 3.92Å; F365-F414 HydrophobicContact CD1-CE1 3.92Å; F365-F414 HydrophobicContact CD2-CD1 4.47Å; F365-F414 AromaticContact CG-CD1 3.85Å; F365-F414 HydrophobicContact CG-CD1 3.85Å; F365-F414 HydrophobicContact CG-CE1 4.02Å; F365-F414 HydrophobicContact CG-CG 4.22Å; P404-F414 HydrophobicContact CG-CB 4.31Å; P404-F414 HydrophobicContact CG-CD1 4.03Å; P404-F414 WeakPolarHBondContact O-CB 3.18Å; P404-F414 PolarHBondContact O-N 2.9Å; E412-F414 PolarHBondContact O-N 2.56Å; F414-I416 HydrophobicContact CE1-CD1 3.57Å; F414-I416 HydrophobicContact CE1-CG1 3.75Å; F414-I416 HydrophobicContact CE1-CG2 4.07Å; F414-I416 HydrophobicContact CE2-CG2 4.04Å; F414-I416 HydrophobicContact CZ-CD1 3.8Å; F414-I416 HydrophobicContact CZ-CG1 4.11Å; F414-I416 HydrophobicContact CZ-CG2 3.61Å
415	I	89.6	Confident	89.8	Confident	0 Å²	0	37 Å²	37	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.3	-175.8	-56.8	163.1	0	0	0	108.8	C338 H339 L386 L394 I398 Y403 P413	C338-I415 WeakPolarHBondContact CA-O 3.24Å; H339-I415 HydrophobicContact CB-CB 4.23Å; H339-I415 PolarHBondContact N-O 2.88Å; H339-I415 PolarHBondContact O-N 3.01Å; L386-I415 HydrophobicContact CD2-CG2 4.16Å; L394-I415 HydrophobicContact CD2-CD1 4.45Å; I398-I415 HydrophobicContact CD1-CD1 3.14Å; I398-I415 HydrophobicContact CG1-CD1 3.5Å; I398-I415 VanDerWaalsContact CG1-CD1 3.5Å; I398-I415 HydrophobicContact CG2-CD1 4.16Å; Y403-I415 HydrophobicContact CD1-CG1 3.91Å; Y403-I415 HydrophobicContact CD2-CD1 4.43Å; Y403-I415 HydrophobicContact CD2-CG1 4.11Å; Y403-I415 HydrophobicContact CE1-CG1 4.3Å; Y403-I415 HydrophobicContact CE1-CG2 4.14Å; Y403-I415 HydrophobicContact CE2-CG1 4.44Å; Y403-I415 HydrophobicContact CG-CG1 3.83Å; P413-I415 HydrophobicContact CB-CD1 4.18Å; P413-I415 HydrophobicContact CB-CG1 4.28Å; P413-I415 HydrophobicContact CG-CD1 4.36Å; P413-I415 PolarHBondContact O-N 3.04Å
416	I	91.7	Very high	90	Very high	2 Å²	2	33 Å²	33	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	165.6	174.5	56.7	168.7	0	0	0	108	T336 C338 F356 F380 F414 F419 V433	T336-I416 HydrophobicContact CG2-CG2 4.46Å; C338-I416 HydrophobicContact CB-CG2 3.81Å; F356-I416 HydrophobicContact CD1-CD1 4.14Å; F356-I416 HydrophobicContact CE1-CD1 3.37Å; F356-I416 HydrophobicContact CE2-CD1 4.36Å; F356-I416 HydrophobicContact CZ-CD1 3.51Å; F380-I416 HydrophobicContact CE1-CD1 4.19Å; F414-I416 HydrophobicContact CE1-CD1 3.57Å; F414-I416 HydrophobicContact CE1-CG1 3.75Å; F414-I416 HydrophobicContact CE1-CG2 4.07Å; F414-I416 HydrophobicContact CE2-CG2 4.04Å; F414-I416 HydrophobicContact CZ-CD1 3.8Å; F414-I416 HydrophobicContact CZ-CG1 4.11Å; F414-I416 HydrophobicContact CZ-CG2 3.61Å; I416-F419 HydrophobicContact CD1-CD1 4.12Å; I416-F419 HydrophobicContact CD1-CE1 3.91Å; I416-V433 HydrophobicContact CD1-CG2 3.97Å; I416-V433 HydrophobicContact CG1-CB 4.34Å; I416-V433 HydrophobicContact CG1-CG1 3.94Å; I416-V433 HydrophobicContact CG1-CG2 3.57Å
417	E	91.7	Very high	90.3	Very high	15 Å²	15	33.1 Å²	33.1	7%	0.07	21%	0.212	C	C	.	.			trans	-63.7	148.5	169.2	-66.4	-77	163.7	0	0	110.7	F380 T383 L385	F380-E417 HydrophobicContact CB-CB 4.35Å; F380-E417 HydrophobicContact CD1-CB 4.37Å; T383-E417 WeakPolarHBondContact CB-OE2 3.36Å; T383-E417 PolarHBondContact N-OE2 3.08Å; T383-E417 PolarHBondContact OG1-OE1 2.88Å; T383-E417 PolarHBondContact OG1-OE2 2.84Å; L385-E417 WeakPolarHBondContact CB-OE1 3.43Å; L385-E417 PolarHBondContact N-OE1 3.45Å
418	D	93	Very high	90.7	Very high	52 Å²	52	30.4 Å²	30.4	28%	0.278	19%	0.189	S	C	.	.			trans	-57.9	149.8	169	-77	0.6	0	0	0	110.4	A381 T432 V433	A381-D418 HydrophobicContact CB-CB 4.37Å; A381-D418 VanDerWaalsContact CB-O 3.3Å; A381-D418 WeakPolarHBondContact CB-O 3.44Å; A381-D418 PolarHBondContact N-O 2.78Å; D418-T432 WeakPolarHBondContact OD1-CA 3.34Å; D418-T432 WeakPolarHBondContact OD2-CG2 3.26Å; D418-T432 PolarHBondContact OD2-OG1 3.46Å; D418-T432 VanDerWaalsContact OD2-OG1 3.11Å; D418-V433 PolarHBondContact OD1-N 3.26Å
419	F	95.3	Very high	91.1	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	162.6	-174.8	65	-86.7	0	0	0	113.3	F356 Y367 I378 S379 F380 I416 V421 V431 V433	F356-F419 AromaticContact CZ-CE1 3.96Å; F356-F419 HydrophobicContact CZ-CE1 3.96Å; F356-F419 HydrophobicContact CZ-CZ 4.01Å; Y367-F419 AromaticContact CD2-CZ 3.88Å; Y367-F419 HydrophobicContact CD2-CZ 3.88Å; Y367-F419 AromaticContact CE2-CE1 3.88Å; Y367-F419 HydrophobicContact CE2-CE1 3.88Å; Y367-F419 AromaticContact CE2-CZ 3.59Å; Y367-F419 HydrophobicContact CE2-CZ 3.59Å; I378-F419 HydrophobicContact CG2-CB 4.47Å; I378-F419 HydrophobicContact CG2-CD2 3.66Å; I378-F419 HydrophobicContact CG2-CE2 4.21Å; I378-F419 HydrophobicContact CG2-CG 4.27Å; S379-F419 CarbonylContact O-C 3.56Å; S379-F419 VanDerWaalsContact O-CA 3.26Å; S379-F419 WeakPolarHBondContact O-CA 3.41Å; S379-F419 WeakPolarHBondContact O-CB 3.43Å; F380-F419 HydrophobicContact CD1-CB 3.53Å; F380-F419 HydrophobicContact CD1-CD1 4.24Å; F380-F419 HydrophobicContact CD1-CG 4.18Å; F380-F419 HydrophobicContact CE1-CB 3.66Å; F380-F419 AromaticContact CE1-CD1 3.74Å; F380-F419 HydrophobicContact CE1-CD1 3.74Å; F380-F419 AromaticContact CE1-CG 3.8Å; F380-F419 HydrophobicContact CE1-CG 3.8Å; F380-F419 HydrophobicContact CG-CB 4.08Å; F380-F419 HydrophobicContact CZ-CB 4.33Å; F380-F419 HydrophobicContact CZ-CG 4.38Å; I416-F419 HydrophobicContact CD1-CD1 4.12Å; I416-F419 HydrophobicContact CD1-CE1 3.91Å; F419-V421 HydrophobicContact CD2-CG2 3.72Å; F419-V421 HydrophobicContact CE2-CG2 3.49Å; F419-V421 VanDerWaalsContact CE2-CG2 3.49Å; F419-V431 HydrophobicContact CD1-CB 4.27Å; F419-V431 HydrophobicContact CD1-CG1 4.48Å; F419-V431 HydrophobicContact CD2-CB 4.25Å; F419-V431 HydrophobicContact CD2-CG2 4.39Å; F419-V431 HydrophobicContact CE1-CB 3.89Å; F419-V431 HydrophobicContact CE1-CG1 3.73Å; F419-V431 HydrophobicContact CE2-CB 3.9Å; F419-V431 HydrophobicContact CE2-CG1 4.35Å; F419-V431 HydrophobicContact CE2-CG2 3.82Å; F419-V431 HydrophobicContact CG-CB 4.44Å; F419-V431 HydrophobicContact CZ-CB 3.7Å; F419-V431 HydrophobicContact CZ-CG1 3.66Å; F419-V431 HydrophobicContact CZ-CG2 3.95Å; F419-V431 PolarHBondContact N-O 3.4Å; F419-V431 VanDerWaalsContact N-O 3.1Å; F419-V431 PolarHBondContact O-N 3.4Å; F419-V433 HydrophobicContact CD1-CG2 4.33Å; F419-V433 HydrophobicContact CE1-CG2 4.24Å
420	I	95.9	Very high	91.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.3	177.4	-62.6	177.1	0	0	0	108.6	L91 N93 V102 I115 I378 S379 M428 I429	L91-I420 HydrophobicContact CD1-CB 4.15Å; L91-I420 HydrophobicContact CD1-CG2 3.84Å; L91-I420 HydrophobicContact CD2-CG2 3.93Å; N93-I420 HydrophobicContact CB-CD1 4.23Å; N93-I420 HydrophobicContact CB-CG1 4.43Å; V102-I420 HydrophobicContact CB-CD1 4.45Å; V102-I420 HydrophobicContact CG2-CD1 3.18Å; I115-I420 HydrophobicContact CD1-CD1 3.98Å; I378-I420 WeakPolarHBondContact CA-O 3.43Å; S379-I420 PolarHBondContact N-O 3.02Å; S379-I420 PolarHBondContact O-N 3.4Å; I420-M428 HydrophobicContact CG2-CG 3.62Å; I420-M428 HydrophobicContact CG2-SD 4.31Å; I420-I429 CarbonylContact C-O 3.58Å; I420-I429 VanDerWaalsContact CA-O 3.26Å; I420-I429 WeakPolarHBondContact CA-O 3.4Å
421	V	95.8	Very high	92.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.4	174.4	-175.5	0	0	0	0	108.4	V354 L370 V375 C377 I378 F419 M428 I429	V354-V421 HydrophobicContact CG2-CG2 4.45Å; L370-V421 HydrophobicContact CD1-CG1 4.47Å; L370-V421 HydrophobicContact CD1-CG2 4.17Å; V375-V421 HydrophobicContact CG1-CG1 4.02Å; V375-V421 HydrophobicContact CG2-CG1 4.43Å; C377-V421 WeakPolarHBondContact O-CA 3.35Å; I378-V421 HydrophobicContact CG1-CG2 4.5Å; F419-V421 HydrophobicContact CD2-CG2 3.72Å; F419-V421 HydrophobicContact CE2-CG2 3.49Å; F419-V421 VanDerWaalsContact CE2-CG2 3.49Å; V421-M428 WeakPolarHBondContact O-CA 3.37Å; V421-I429 HydrophobicContact CB-CB 4.48Å; V421-I429 PolarHBondContact N-O 3.29Å; V421-I429 PolarHBondContact O-N 2.9Å
422	S	95.8	Very high	92.8	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	146.8	161.5	71.8	0	0	0	0	110.4	N376 C377 V427	N376-S422 PolarHBondContact N-O 2.8Å; C377-S422 VanDerWaalsContact CB-OG 3.29Å; C377-S422 WeakPolarHBondContact CB-OG 3.06Å; C377-S422 PolarHBondContact N-O 2.85Å; C377-S422 VanDerWaalsContact N-O 3.14Å; C377-S422 PolarHBondContact N-OG 3.46Å; C377-S422 PolarHBondContact O-N 3.37Å; S422-V427 WeakPolarHBondContact CA-O 3.44Å
423	T	94.9	Very high	93	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.018	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	160.4	179.2	61.9	0	0	0	0	110.7	F372 P374 S425 A426 V427	F372-T423 HydrophobicContact CB-CG2 4.2Å; F372-T423 PolarHBondContact O-OG1 3.17Å; P374-T423 CarbonylContact O-C 3.55Å; P374-T423 WeakPolarHBondContact O-CA 3.34Å; P374-T423 WeakPolarHBondContact O-CB 3.32Å; T423-S425 PolarHBondContact O-N 3.17Å; T423-A426 PolarHBondContact O-N 3.34Å; T423-V427 PolarHBondContact N-O 3.3Å; T423-V427 WeakPolarHBondContact OG1-CB 3.47Å; T423-V427 PolarHBondContact OG1-N 2.86Å; T423-V427 VanDerWaalsContact OG1-N 3.09Å; T423-V427 PolarHBondContact OG1-O 2.74Å
424	S	91.6	Very high	92.9	Very high	52 Å²	52	14.2 Å²	14.2	36%	0.364	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-6	172	-53.9	0	0	0	0	113.5	Q87 P374	Q87-S424 PolarHBondContact OE1-O 3.44Å; P374-S424 PolarHBondContact O-N 2.91Å
425	S	91	Very high	92.6	Very high	33 Å²	33	15.5 Å²	15.5	23%	0.231	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	31	176.3	-59.6	0	0	0	0	112.1	T423 V427	T423-S425 PolarHBondContact O-N 3.17Å; S425-V427 WeakPolarHBondContact O-CG2 3.01Å; S425-V427 PolarHBondContact O-N 3.28Å; S425-V427 VanDerWaalsContact O-N 3.13Å
426	A	93.2	Very high	92.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	11%	0.113	C	C	.	.	S	Bend	trans	54.6	28.2	179.1	0	0	0	0	0	116.2	Q87 T423 E444 H445 D446	Q87-A426 VanDerWaalsContact OE1-CB 3.29Å; Q87-A426 VanDerWaalsContact OE1-N 3.14Å; T423-A426 PolarHBondContact O-N 3.34Å; A426-E444 HydrophobicContact CB-CB 4.15Å; A426-E444 WeakPolarHBondContact CB-O 3.4Å; A426-E444 PolarHBondContact O-N 3.18Å; A426-H445 WeakPolarHBondContact CB-O 3.31Å; A426-D446 HydrophobicContact CB-CB 3.93Å
427	V	94.8	Very high	92.2	Very high	7 Å²	7	24 Å²	24	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.3	176.1	-171.7	0	0	0	0	111.1	F372 S422 T423 S425 I429 I440 L442 I443	F372-V427 HydrophobicContact CB-CB 4.05Å; F372-V427 HydrophobicContact CB-CG1 4.14Å; F372-V427 HydrophobicContact CB-CG2 4.02Å; F372-V427 HydrophobicContact CD1-CG1 4.3Å; F372-V427 HydrophobicContact CD1-CG2 4.21Å; F372-V427 HydrophobicContact CD2-CG1 4.36Å; F372-V427 HydrophobicContact CG-CB 4.42Å; F372-V427 HydrophobicContact CG-CG1 4.01Å; F372-V427 HydrophobicContact CG-CG2 4.32Å; S422-V427 WeakPolarHBondContact CA-O 3.44Å; T423-V427 PolarHBondContact N-O 3.3Å; T423-V427 WeakPolarHBondContact OG1-CB 3.47Å; T423-V427 PolarHBondContact OG1-N 2.86Å; T423-V427 VanDerWaalsContact OG1-N 3.09Å; T423-V427 PolarHBondContact OG1-O 2.74Å; S425-V427 WeakPolarHBondContact O-CG2 3.01Å; S425-V427 PolarHBondContact O-N 3.28Å; S425-V427 VanDerWaalsContact O-N 3.13Å; V427-I429 HydrophobicContact CG1-CD1 4.28Å; V427-I429 HydrophobicContact CG1-CG1 3.81Å; V427-I440 HydrophobicContact CG1-CG2 4.21Å; V427-L442 WeakPolarHBondContact CA-O 3.34Å; V427-I443 HydrophobicContact CG1-CG1 4.1Å; V427-I443 HydrophobicContact CG2-CG1 4.3Å; V427-I443 HydrophobicContact CG2-CG2 4.39Å
428	M	95.3	Very high	92.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.2	173.5	-172.8	-174	-59.7	0	0	110.1	F85 L91 V102 Y104 I420 V421 V441 L442	F85-M428 HydrophobicContact CD1-CE 4.33Å; F85-M428 HydrophobicContact CE1-CB 4.46Å; F85-M428 HydrophobicContact CE1-CE 4.34Å; L91-M428 HydrophobicContact CD2-CE 3.72Å; L91-M428 HydrophobicContact CD2-CG 4.03Å; L91-M428 HydrophobicContact CD2-SD 4.21Å; V102-M428 HydrophobicContact CG1-CE 4.37Å; V102-M428 HydrophobicContact CG1-SD 4.31Å; V102-M428 HydrophobicContact CG2-SD 4.46Å; Y104-M428 HydrophobicContact CD1-CE 4.17Å; Y104-M428 HydrophobicContact CE1-CE 4.38Å; I420-M428 HydrophobicContact CG2-CG 3.62Å; I420-M428 HydrophobicContact CG2-SD 4.31Å; V421-M428 WeakPolarHBondContact O-CA 3.37Å; M428-V441 HydrophobicContact CB-CB 4.43Å; M428-V441 HydrophobicContact CG-CB 4.25Å; M428-V441 PolarHBondContact O-N 3.42Å; M428-V441 HydrophobicContact SD-CB 4.25Å; M428-V441 HydrophobicContact SD-CG1 4.18Å; M428-L442 HydrophobicContact CB-CB 4.13Å; M428-L442 HydrophobicContact CE-CD1 3.93Å; M428-L442 PolarHBondContact N-O 3.27Å; M428-L442 PolarHBondContact O-N 2.94Å; M428-L442 HydrophobicContact SD-CD1 4.34Å
429	I	95.2	Very high	92.1	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.7	-174.5	-48.9	167.8	0	0	0	108.6	L370 F372 I420 V421 V427 V431 K439	L370-I429 HydrophobicContact CB-CD1 4.35Å; L370-I429 HydrophobicContact CD2-CD1 4Å; L370-I429 HydrophobicContact CD2-CG2 4.15Å; F372-I429 HydrophobicContact CB-CD1 4.33Å; F372-I429 HydrophobicContact CD2-CD1 3.42Å; F372-I429 VanDerWaalsContact CD2-CD1 3.42Å; F372-I429 HydrophobicContact CD2-CG1 4.31Å; F372-I429 HydrophobicContact CE2-CD1 4.17Å; F372-I429 HydrophobicContact CG-CD1 4.23Å; I420-I429 CarbonylContact C-O 3.58Å; I420-I429 VanDerWaalsContact CA-O 3.26Å; I420-I429 WeakPolarHBondContact CA-O 3.4Å; V421-I429 HydrophobicContact CB-CB 4.48Å; V421-I429 PolarHBondContact N-O 3.29Å; V421-I429 PolarHBondContact O-N 2.9Å; V427-I429 HydrophobicContact CG1-CD1 4.28Å; V427-I429 HydrophobicContact CG1-CG1 3.81Å; I429-V431 HydrophobicContact CG2-CG2 4.25Å; I429-K439 WeakPolarHBondContact CA-O 3.43Å
430	S	94.1	Very high	91.9	Very high	14 Å²	14	34.2 Å²	34.2	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.1	168.8	175.3	0	0	0	0	108.9	K439	S430-K439 PolarHBondContact N-O 3.11Å; S430-K439 PolarHBondContact O-N 3.48Å
431	V	93.8	Very high	91.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.5	177.8	-177	0	0	0	0	107.8	Y367 L370 F419 I429 K438	Y367-V431 HydrophobicContact CE1-CG1 4.14Å; Y367-V431 HydrophobicContact CE2-CG1 4.31Å; L370-V431 HydrophobicContact CD2-CG2 4.42Å; F419-V431 HydrophobicContact CD1-CB 4.27Å; F419-V431 HydrophobicContact CD1-CG1 4.48Å; F419-V431 HydrophobicContact CD2-CB 4.25Å; F419-V431 HydrophobicContact CD2-CG2 4.39Å; F419-V431 HydrophobicContact CE1-CB 3.89Å; F419-V431 HydrophobicContact CE1-CG1 3.73Å; F419-V431 HydrophobicContact CE2-CB 3.9Å; F419-V431 HydrophobicContact CE2-CG1 4.35Å; F419-V431 HydrophobicContact CE2-CG2 3.82Å; F419-V431 HydrophobicContact CG-CB 4.44Å; F419-V431 HydrophobicContact CZ-CB 3.7Å; F419-V431 HydrophobicContact CZ-CG1 3.66Å; F419-V431 HydrophobicContact CZ-CG2 3.95Å; F419-V431 PolarHBondContact N-O 3.4Å; F419-V431 VanDerWaalsContact N-O 3.1Å; F419-V431 PolarHBondContact O-N 3.4Å; I429-V431 HydrophobicContact CG2-CG2 4.25Å; V431-K438 HydrophobicContact CG2-CG 4.48Å
432	T	91.5	Very high	91.7	Very high	47 Å²	47	36.9 Å²	36.9	29%	0.288	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.8	168.9	-65.8	0	0	0	0	108.2	D418 E434 G436 F437	D418-T432 WeakPolarHBondContact OD1-CA 3.34Å; D418-T432 WeakPolarHBondContact OD2-CG2 3.26Å; D418-T432 PolarHBondContact OD2-OG1 3.46Å; D418-T432 VanDerWaalsContact OD2-OG1 3.11Å; T432-E434 HydrophobicContact CG2-CB 4.39Å; T432-E434 WeakPolarHBondContact CG2-O 3.47Å; T432-G436 CarbonylContact O-C 3.52Å; T432-F437 PolarHBondContact N-O 2.89Å; T432-F437 PolarHBondContact O-N 2.66Å
433	V	90.1	Very high	91.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-38	-169.6	-178.2	0	0	0	0	109.9	Y403 P404 I416 D418 F419 G435 G436	Y403-V433 HydrophobicContact CD1-CG1 4.05Å; Y403-V433 HydrophobicContact CE1-CG1 4.33Å; P404-V433 WeakPolarHBondContact CD-O 3.17Å; P404-V433 HydrophobicContact CG-CG1 4.23Å; I416-V433 HydrophobicContact CD1-CG2 3.97Å; I416-V433 HydrophobicContact CG1-CB 4.34Å; I416-V433 HydrophobicContact CG1-CG1 3.94Å; I416-V433 HydrophobicContact CG1-CG2 3.57Å; D418-V433 PolarHBondContact OD1-N 3.26Å; F419-V433 HydrophobicContact CD1-CG2 4.33Å; F419-V433 HydrophobicContact CE1-CG2 4.24Å; V433-G435 PolarHBondContact O-N 3.16Å; V433-G436 PolarHBondContact O-N 3.11Å; V433-G436 VanDerWaalsContact O-N 3.12Å
434	E	86.4	Confident	91.4	Very high	67 Å²	67	39.7 Å²	39.7	31%	0.313	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.2	117.2	170.3	-172.6	176.6	171.5	0	0	109.8	K401 Y403 T432 G436 F437	K401-E434 HydrophobicContact CB-CG 4.35Å; K401-E434 WeakPolarHBondContact CD-OE1 3.33Å; K401-E434 WeakPolarHBondContact CE-OE1 3.35Å; K401-E434 WeakPolarHBondContact CG-OE1 3.03Å; K401-E434 IonicContact NZ-OE1 2.68Å; K401-E434 IonicContact NZ-OE2 2.88Å; K401-E434 PolarHBondContact NZ-OE2 2.98Å; Y403-E434 HydrophobicContact CE1-CB 3.92Å; Y403-E434 HydrophobicContact CE2-CG 4.48Å; T432-E434 HydrophobicContact CG2-CB 4.39Å; T432-E434 WeakPolarHBondContact CG2-O 3.47Å; E434-G436 PolarHBondContact O-N 2.88Å; E434-F437 WeakPolarHBondContact O-CD2 3.4Å
435	G	85	Confident	91.5	Very high	27 Å²	27	37.4 Å²	37.4	28%	0.278	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	76.8	-0.9	-174.7	0	0	0	0	0	114.9	D402 V433 F437	D402-G435 WeakPolarHBondContact O-CA 3.4Å; D402-G435 PolarHBondContact O-N 3.31Å; V433-G435 PolarHBondContact O-N 3.16Å; G435-F437 VanDerWaalsContact C-N 3.26Å; G435-F437 PolarHBondContact O-N 3.46Å
436	G	84.3	Confident	91.5	Very high	34 Å²	34	38.2 Å²	38.2	35%	0.351	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	62.8	28.3	178.2	0	0	0	0	0	114.5	T432 V433 E434	T432-G436 CarbonylContact O-C 3.52Å; V433-G436 PolarHBondContact O-N 3.11Å; V433-G436 VanDerWaalsContact O-N 3.12Å; E434-G436 PolarHBondContact O-N 2.88Å
437	F	87.4	Confident	91.5	Very high	145 Å²	145	39.8 Å²	39.8	64%	0.636	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.2	-177.5	-63.2	-71.4	0	0	0	111.6	T432 E434 G435	T432-F437 PolarHBondContact N-O 2.89Å; T432-F437 PolarHBondContact O-N 2.66Å; E434-F437 WeakPolarHBondContact O-CD2 3.4Å; G435-F437 VanDerWaalsContact C-N 3.26Å; G435-F437 PolarHBondContact O-N 3.46Å
438	K	90.6	Very high	91.5	Very high	88 Å²	88	41.6 Å²	41.6	38%	0.383	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.9	175.4	-59.2	164.5	-169.4	167	0	107.8	D369 L370 V431	D369-K438 IonicContact OD2-NZ 2.98Å; L370-K438 HydrophobicContact CD2-CD 4.19Å; V431-K438 HydrophobicContact CG2-CG 4.48Å
439	K	91.9	Very high	91.5	Very high	130 Å²	130	41.6 Å²	41.6	57%	0.565	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116	121.7	178.2	-177	-179.7	176.5	-173.8	0	109.4	I429 S430 V441	I429-K439 WeakPolarHBondContact CA-O 3.43Å; S430-K439 PolarHBondContact N-O 3.11Å; S430-K439 PolarHBondContact O-N 3.48Å; K439-V441 PolarHBondContact O-N 2.81Å
440	I	92.4	Very high	91.2	Very high	66 Å²	66	41.7 Å²	41.7	34%	0.338	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.4	167.3	-58	173.2	0	0	0	107.4	F372 V427 I443	F372-I440 HydrophobicContact CE1-CD1 4.03Å; F372-I440 HydrophobicContact CE2-CD1 3.86Å; F372-I440 HydrophobicContact CE2-CG1 4.18Å; F372-I440 HydrophobicContact CZ-CD1 3.37Å; F372-I440 HydrophobicContact CZ-CG1 4.2Å; V427-I440 HydrophobicContact CG1-CG2 4.21Å; I440-I443 HydrophobicContact CD1-CD1 4.34Å; I440-I443 HydrophobicContact CG2-CD1 3.82Å; I440-I443 HydrophobicContact CG2-CG1 3.53Å
441	V	92.8	Very high	91.2	Very high	26 Å²	26	41.5 Å²	41.5	16%	0.158	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-50.4	-179.6	-174.8	0	0	0	0	109.7	F113 I115 M428 K439	F113-V441 HydrophobicContact CE1-CG1 3.87Å; I115-V441 HydrophobicContact CD1-CG1 3.9Å; I115-V441 HydrophobicContact CD1-CG2 4.17Å; I115-V441 HydrophobicContact CG1-CG1 3.86Å; I115-V441 HydrophobicContact CG2-CG1 3.98Å; M428-V441 HydrophobicContact CB-CB 4.43Å; M428-V441 HydrophobicContact CG-CB 4.25Å; M428-V441 PolarHBondContact O-N 3.42Å; M428-V441 HydrophobicContact SD-CB 4.25Å; M428-V441 HydrophobicContact SD-CG1 4.18Å; K439-V441 PolarHBondContact O-N 2.81Å
442	L	93.1	Very high	91.4	Very high	32 Å²	32	42 Å²	42	17%	0.168	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.3	179.7	-61.6	173.9	0	0	0	110.2	F85 F113 V427 M428 E444	F85-L442 HydrophobicContact CD1-CD1 4.49Å; F113-L442 HydrophobicContact CE1-CD1 4.36Å; V427-L442 WeakPolarHBondContact CA-O 3.34Å; M428-L442 HydrophobicContact CB-CB 4.13Å; M428-L442 HydrophobicContact CE-CD1 3.93Å; M428-L442 PolarHBondContact N-O 3.27Å; M428-L442 PolarHBondContact O-N 2.94Å; M428-L442 HydrophobicContact SD-CD1 4.34Å; L442-E444 HydrophobicContact CB-CG 4.24Å
443	I	92.4	Very high	91.7	Very high	52 Å²	52	40.6 Å²	40.6	27%	0.267	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	102.9	166.3	-64	169	0	0	0	105.3	V427 I440 K471	V427-I443 HydrophobicContact CG1-CG1 4.1Å; V427-I443 HydrophobicContact CG2-CG1 4.3Å; V427-I443 HydrophobicContact CG2-CG2 4.39Å; I440-I443 HydrophobicContact CD1-CD1 4.34Å; I440-I443 HydrophobicContact CG2-CD1 3.82Å; I440-I443 HydrophobicContact CG2-CG1 3.53Å; I443-K471 WeakPolarHBondContact O-CE 3.4Å; I443-K471 PolarHBondContact O-NZ 2.93Å
444	E	93.5	Very high	92	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.047	22%	0.223	C	C	.	.			trans	-107.8	-178.5	-175.5	-59.6	-56.1	141.1	0	0	112.1	F85 A426 L442 D446 K471 Y473	F85-E444 HydrophobicContact CD1-CG 4.26Å; F85-E444 HydrophobicContact CE1-CG 4.3Å; A426-E444 HydrophobicContact CB-CB 4.15Å; A426-E444 WeakPolarHBondContact CB-O 3.4Å; A426-E444 PolarHBondContact O-N 3.18Å; L442-E444 HydrophobicContact CB-CG 4.24Å; E444-D446 PolarHBondContact O-N 2.99Å; E444-K471 IonicContact OE1-NZ 3.37Å; E444-K471 PolarHBondContact OE1-NZ 3.07Å; E444-K471 IonicContact OE2-NZ 3.93Å; E444-K471 PolarHBondContact OE2-NZ 3.25Å; E444-Y473 PolarHBondContact OE2-OH 3.36Å
445	H	92.7	Very high	92.5	Very high	4 Å²	4	39 Å²	39	2%	0.019	21%	0.21	C	C	.	.			trans	-70	129.9	174.6	-63	-82.7	0	0	0	109.6	A426 V449 T463 S465 L469	A426-H445 WeakPolarHBondContact CB-O 3.31Å; H445-V449 HydrophobicContact CB-CG2 3.52Å; H445-T463 WeakPolarHBondContact NE2-CB 3.24Å; H445-T463 PolarHBondContact NE2-OG1 3.27Å; H445-S465 VanDerWaalsContact ND1-CB 3.26Å; H445-S465 WeakPolarHBondContact ND1-CB 3.5Å; H445-S465 PolarHBondContact ND1-OG 3.43Å; H445-L469 PolarHBondContact CE1-O 3.12Å
446	D	91.2	Very high	92.9	Very high	51 Å²	51	40.1 Å²	40.1	27%	0.273	21%	0.213	S	C	.	.			trans	-100.1	4.2	179.9	62.8	-26	0	0	0	113.3	Q87 A426 E444 S467	Q87-D446 PolarHBondContact NE2-O 3.04Å; A426-D446 HydrophobicContact CB-CB 3.93Å; E444-D446 PolarHBondContact O-N 2.99Å; D446-S467 WeakPolarHBondContact OD1-CB 3.37Å; D446-S467 PolarHBondContact OD1-OG 3.35Å
447	S	93.6	Very high	93.2	Very high	34 Å²	34	42.5 Å²	42.5	24%	0.238	22%	0.22	C	C	.	.	S	Bend	trans	-150	172.6	-177.8	-168.9	0	0	0	0	110.4	V449 Y466	S447-V449 PolarHBondContact O-N 3.36Å; S447-Y466 WeakPolarHBondContact OG-CB 3.09Å
448	D	94.1	Very high	93.6	Very high	44 Å²	44	38.9 Å²	38.9	24%	0.235	21%	0.207	C	C	.	.			trans	-49.2	124.9	-169.4	-59.5	21.5	0	0	0	112.7	N450 S465 Y466 G757	D448-N450 PolarHBondContact O-N 3.4Å; D448-N450 PolarHBondContact O-ND2 3.39Å; D448-S465 CarbonylContact O-C 3.48Å; D448-S465 WeakPolarHBondContact O-CA 3.45Å; D448-S465 WeakPolarHBondContact O-CB 3.08Å; D448-Y466 HydrophobicContact CB-CD2 3.74Å; D448-Y466 HydrophobicContact CB-CE2 4.15Å; D448-Y466 HydrophobicContact CB-CG 4.15Å; D448-Y466 PolarHBondContact O-N 2.99Å; D448-G757 VanDerWaalsContact CA-O 3.25Å; D448-G757 WeakPolarHBondContact CA-O 3.45Å
449	V	95.4	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	94.2	176.2	-174.6	0	0	0	0	109.1	H445 S447 A755 G757 V762	H445-V449 HydrophobicContact CB-CG2 3.52Å; S447-V449 PolarHBondContact O-N 3.36Å; V449-A755 HydrophobicContact CB-CB 4.2Å; V449-A755 HydrophobicContact CG1-CB 3.82Å; V449-A755 VanDerWaalsContact O-CB 3.29Å; V449-A755 WeakPolarHBondContact O-CB 3.21Å; V449-G757 PolarHBondContact N-O 2.99Å; V449-G757 WeakPolarHBondContact O-CA 3.39Å; V449-G757 PolarHBondContact O-N 3.23Å; V449-V762 HydrophobicContact CB-CG2 4.38Å; V449-V762 HydrophobicContact CG1-CG2 3.69Å
450	N	90.1	Very high	94	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-26.1	-168.1	-57.2	-79.3	0	0	0	113.7	D448 C464 Y466 Q741	D448-N450 PolarHBondContact O-N 3.4Å; D448-N450 PolarHBondContact O-ND2 3.39Å; N450-C464 PolarHBondContact N-O 2.75Å; N450-Y466 HydrophobicContact CB-CE1 4.35Å; N450-Y466 VanDerWaalsContact CG-CE1 3.46Å; N450-Y466 WeakPolarHBondContact ND2-CD1 3.19Å; N450-Y466 WeakPolarHBondContact ND2-CE1 3.5Å; N450-Y466 VanDerWaalsContact ND2-CZ 3.26Å; N450-Y466 PolarHBondContact OD1-OH 2.81Å; N450-Q741 WeakPolarHBondContact O-CB 3.37Å; N450-Q741 PolarHBondContact OD1-NE2 3.49Å; N450-Q741 PolarHBondContact OD1-OE1 3.34Å
451	A	93.7	Very high	94.3	Very high	10 Å²	10	27.8 Å²	27.8	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.3	179.8	0	0	0	0	0	112.4	C464	A451-C464 PolarHBondContact O-N 3.31Å; A451-C464 PolarHBondContact O-SG 3Å; A451-C464 VanDerWaalsContact O-SG 3.36Å
452	L	97.2	Very high	94.5	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.1	175.5	67.1	112.1	0	0	0	109	I461 A462 T463 A744 F753 A755	L452-I461 HydrophobicContact CB-CD1 4.49Å; L452-I461 HydrophobicContact CD1-CD1 3.78Å; L452-A462 CarbonylContact C-O 3.47Å; L452-A462 WeakPolarHBondContact CA-O 3.42Å; L452-T463 HydrophobicContact CB-CG2 4.13Å; L452-A744 HydrophobicContact CD1-CB 3.36Å; L452-A744 HydrophobicContact CG-CB 4.41Å; L452-F753 HydrophobicContact CD1-CB 3.52Å; L452-A755 HydrophobicContact CD2-CB 3.3Å; L452-A755 VanDerWaalsContact CD2-N 3.27Å
453	T	97.2	Very high	94.7	Very high	16 Å²	16	25.1 Å²	25.1	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	138.8	-179.3	-175.2	0	0	0	0	110	I461 A462 Y497 L504	T453-I461 WeakPolarHBondContact O-CA 3.49Å; T453-A462 HydrophobicContact CG2-CB 3.96Å; T453-A462 PolarHBondContact N-O 2.89Å; T453-A462 PolarHBondContact O-N 2.8Å; T453-Y497 HydrophobicContact CG2-CD2 3.49Å; T453-Y497 VanDerWaalsContact CG2-CD2 3.49Å; T453-Y497 HydrophobicContact CG2-CE2 3.81Å; T453-Y497 HydrophobicContact CG2-CG 4.27Å; T453-Y497 PolarHBondContact OG1-N 2.84Å; T453-L504 HydrophobicContact CG2-CD1 3.75Å
454	T	96.9	Very high	94.8	Very high	25 Å²	25	22.6 Å²	22.6	15%	0.153	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.5	176.4	44.7	0	0	0	0	109.9	Y497 A744 I745 F753	T454-Y497 WeakPolarHBondContact O-CD2 2.94Å; T454-A744 HydrophobicContact CG2-CB 3.82Å; T454-I745 WeakPolarHBondContact CB-O 3.46Å; T454-I745 PolarHBondContact OG1-O 3.01Å; T454-F753 HydrophobicContact CG2-CD2 3.65Å; T454-F753 HydrophobicContact CG2-CE2 3.75Å
455	H	96.6	Very high	94.8	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.042	13%	0.128	C	C	.	.			trans	-71.5	138.1	177.5	-175.4	-62.4	0	0	0	109.9	V457 L458 H460 Y497 G501	H455-V457 VanDerWaalsContact C-N 3.35Å; H455-V457 PolarHBondContact ND1-N 3.33Å; H455-V457 PolarHBondContact O-N 3.26Å; H455-L458 HydrophobicContact CB-CB 4.48Å; H455-L458 PolarHBondContact CE1-N 3.03Å; H455-L458 PolarHBondContact ND1-N 3.02Å; H455-H460 HydrophobicContact CB-CB 3.8Å; H455-H460 PolarHBondContact N-O 3.2Å; H455-Y497 HydrophobicContact CB-CD2 4.12Å; H455-Y497 HydrophobicContact CB-CE2 3.93Å; H455-G501 PolarHBondContact CD2-O 2.94Å; H455-G501 WeakPolarHBondContact NE2-CA 3.31Å; H455-G501 PolarHBondContact NE2-O 3.38Å
456	P	93.4	Very high	94.9	Very high	51 Å²	51	25 Å²	25	33%	0.331	14%	0.139	S	C	.	.	S	Bend	trans	-65.9	-33.6	-174.3	23.6	-34.4	0	0	0	113.8	R747	P456-R747 WeakPolarHBondContact O-CB 3.27Å
457	V	92.1	Very high	94.9	Very high	84 Å²	84	22.9 Å²	22.9	51%	0.509	13%	0.128	S	C	.	.	S	Bend	trans	-110.3	-46.2	-177.8	-173.5	0	0	0	0	114.7	H455 R747	H455-V457 VanDerWaalsContact C-N 3.35Å; H455-V457 PolarHBondContact ND1-N 3.33Å; H455-V457 PolarHBondContact O-N 3.26Å; V457-R747 WeakPolarHBondContact O-CD 3.44Å; V457-R747 PolarHBondContact O-NE 3.42Å; V457-R747 VanDerWaalsContact O-NE 3.16Å; V457-R747 PolarHBondContact O-NH1 3.35Å
458	L	95	Very high	94.8	Very high	68 Å²	68	21.2 Å²	21.2	36%	0.356	12%	0.117	S	C	.	.	S	Bend	trans	-85.1	164.2	-178	-56.1	176.4	0	0	0	112	H455 H460 L519	H455-L458 HydrophobicContact CB-CB 4.48Å; H455-L458 PolarHBondContact CE1-N 3.03Å; H455-L458 PolarHBondContact ND1-N 3.02Å; L458-H460 WeakPolarHBondContact CD1-CE1 3.43Å; L458-H460 PolarHBondContact O-N 3.38Å; L458-L519 HydrophobicContact CD1-CD2 4.42Å
459	N	95.1	Very high	94.8	Very high	28 Å²	28	20 Å²	20	15%	0.15	11%	0.11	C	C	.	.	S	Bend	trans	-80.5	41.1	176.8	-57.1	-37.8	0	0	0	112.1	D474 Y475 E476 R747	N459-D474 WeakPolarHBondContact CB-OD1 3.43Å; N459-D474 WeakPolarHBondContact O-CA 3.38Å; N459-Y475 VanDerWaalsContact CA-CE1 3.44Å; N459-Y475 VanDerWaalsContact CA-CZ 3.42Å; N459-Y475 WeakPolarHBondContact CA-OH 3.15Å; N459-Y475 HydrophobicContact CB-CD2 4.41Å; N459-Y475 HydrophobicContact CB-CE1 4.05Å; N459-Y475 HydrophobicContact CB-CE2 3.89Å; N459-Y475 WeakPolarHBondContact O-CD1 3.15Å; N459-Y475 WeakPolarHBondContact O-CE1 3.36Å; N459-Y475 PolarHBondContact O-N 3.28Å; N459-Y475 PolarHBondContact OD1-OH 2.81Å; N459-E476 HydrophobicContact CB-CB 4.25Å; N459-E476 PolarHBondContact ND2-OE2 2.96Å; N459-R747 PolarHBondContact OD1-NE 3.32Å; N459-R747 PolarHBondContact OD1-NH2 2.99Å
460	H	96.6	Very high	94.8	Very high	24 Å²	24	20 Å²	20	11%	0.111	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.2	-173.3	-57.9	178.1	0	0	0	110.9	H455 L458 V472 Y473 I481	H455-H460 HydrophobicContact CB-CB 3.8Å; H455-H460 PolarHBondContact N-O 3.2Å; L458-H460 WeakPolarHBondContact CD1-CE1 3.43Å; L458-H460 PolarHBondContact O-N 3.38Å; H460-V472 HydrophobicContact CB-CG1 3.96Å; H460-Y473 CarbonylContact C-O 3.53Å; H460-Y473 WeakPolarHBondContact CA-O 3.44Å; H460-I481 HydrophobicContact CB-CD1 4.34Å; H460-I481 WeakPolarHBondContact CD2-CD1 3.41Å; H460-I481 WeakPolarHBondContact CE1-CD1 3.43Å; H460-I481 VanDerWaalsContact CG-CD1 3.43Å; H460-I481 WeakPolarHBondContact ND1-CD1 3.38Å; H460-I481 WeakPolarHBondContact NE2-CD1 3.43Å
461	I	96.9	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.6	168	178.7	167	0	0	0	108.8	L452 T453 T463 V472 Y473 Y475 F753	L452-I461 HydrophobicContact CB-CD1 4.49Å; L452-I461 HydrophobicContact CD1-CD1 3.78Å; T453-I461 WeakPolarHBondContact O-CA 3.49Å; I461-T463 HydrophobicContact CD1-CG2 4.46Å; I461-T463 HydrophobicContact CG1-CG2 4.28Å; I461-V472 CarbonylContact O-C 3.05Å; I461-V472 VanDerWaalsContact O-CA 3.27Å; I461-V472 WeakPolarHBondContact O-CA 3.46Å; I461-Y473 HydrophobicContact CG2-CD2 4.31Å; I461-Y473 PolarHBondContact N-O 3.41Å; I461-Y473 PolarHBondContact O-N 2.67Å; I461-Y475 HydrophobicContact CB-CD1 4.26Å; I461-Y475 HydrophobicContact CG2-CD1 4.21Å; I461-F753 HydrophobicContact CD1-CB 3.55Å; I461-F753 HydrophobicContact CD1-CD1 3.44Å; I461-F753 VanDerWaalsContact CD1-CD1 3.44Å; I461-F753 HydrophobicContact CD1-CD2 3.93Å; I461-F753 HydrophobicContact CD1-CE1 4.06Å; I461-F753 HydrophobicContact CD1-CE2 4.49Å; I461-F753 HydrophobicContact CD1-CG 3.36Å
462	A	97.3	Very high	95.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.7	169.2	0	0	0	0	0	109.7	L452 T453 K471 V472 Y497 L504	L452-A462 CarbonylContact C-O 3.47Å; L452-A462 WeakPolarHBondContact CA-O 3.42Å; T453-A462 HydrophobicContact CG2-CB 3.96Å; T453-A462 PolarHBondContact N-O 2.89Å; T453-A462 PolarHBondContact O-N 2.8Å; A462-K471 CarbonylContact C-O 3.38Å; A462-K471 VanDerWaalsContact CA-O 3.32Å; A462-K471 WeakPolarHBondContact CA-O 3.18Å; A462-V472 HydrophobicContact CB-CG2 4.11Å; A462-Y497 HydrophobicContact CB-CE2 3.81Å; A462-L504 HydrophobicContact CB-CD1 4.15Å; A462-L504 HydrophobicContact CB-CD2 4.04Å
463	T	97	Very high	95.1	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.4	174.5	55.8	0	0	0	0	108.9	H445 L452 I461 I470 K471 Y473 V762	H445-T463 WeakPolarHBondContact NE2-CB 3.24Å; H445-T463 PolarHBondContact NE2-OG1 3.27Å; L452-T463 HydrophobicContact CB-CG2 4.13Å; I461-T463 HydrophobicContact CD1-CG2 4.46Å; I461-T463 HydrophobicContact CG1-CG2 4.28Å; T463-I470 WeakPolarHBondContact O-CA 3.49Å; T463-K471 PolarHBondContact N-O 2.86Å; T463-K471 PolarHBondContact O-N 2.93Å; T463-K471 PolarHBondContact OG1-O 2.91Å; T463-Y473 HydrophobicContact CG2-CE2 4.41Å; T463-V762 HydrophobicContact CG2-CG1 4.3Å; T463-V762 HydrophobicContact CG2-CG2 3.98Å
464	C	95.2	Very high	95.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.6	177.6	65.8	0	0	0	0	112.3	N450 A451 L469 I470 I492 C495	N450-C464 PolarHBondContact N-O 2.75Å; A451-C464 PolarHBondContact O-N 3.31Å; A451-C464 PolarHBondContact O-SG 3Å; A451-C464 VanDerWaalsContact O-SG 3.36Å; C464-L469 WeakPolarHBondContact CA-O 3.2Å; C464-I470 HydrophobicContact CB-CG1 4.42Å; C464-I492 HydrophobicContact CB-CB 4.14Å; C464-I492 HydrophobicContact CB-CG2 3.55Å; C464-C495 HydrophobicContact CB-CB 4.47Å
465	S	94.4	Very high	95	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	164.8	-178.7	58.7	0	0	0	0	114.4	H445 D448 S467 G468 L469 I492	H445-S465 VanDerWaalsContact ND1-CB 3.26Å; H445-S465 WeakPolarHBondContact ND1-CB 3.5Å; H445-S465 PolarHBondContact ND1-OG 3.43Å; D448-S465 CarbonylContact O-C 3.48Å; D448-S465 WeakPolarHBondContact O-CA 3.45Å; D448-S465 WeakPolarHBondContact O-CB 3.08Å; S465-S467 PolarHBondContact O-N 3.49Å; S465-S467 PolarHBondContact OG-OG 3.47Å; S465-G468 PolarHBondContact O-N 3Å; S465-L469 PolarHBondContact N-O 3.04Å; S465-L469 VanDerWaalsContact N-O 3.12Å; S465-L469 PolarHBondContact OG-O 2.98Å; S465-I492 CarbonylContact C-O 3.55Å; S465-I492 PolarHBondContact O-N 3.42Å
466	Y	94	Very high	94.9	Very high	63 Å²	63	24.2 Å²	24.2	25%	0.247	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.4	168.4	-78	-4.8	0	0	0	114.4	S447 D448 N450 G468 P491 I492 Q493 M509	S447-Y466 WeakPolarHBondContact OG-CB 3.09Å; D448-Y466 HydrophobicContact CB-CD2 3.74Å; D448-Y466 HydrophobicContact CB-CE2 4.15Å; D448-Y466 HydrophobicContact CB-CG 4.15Å; D448-Y466 PolarHBondContact O-N 2.99Å; N450-Y466 HydrophobicContact CB-CE1 4.35Å; N450-Y466 VanDerWaalsContact CG-CE1 3.46Å; N450-Y466 WeakPolarHBondContact ND2-CD1 3.19Å; N450-Y466 WeakPolarHBondContact ND2-CE1 3.5Å; N450-Y466 VanDerWaalsContact ND2-CZ 3.26Å; N450-Y466 PolarHBondContact OD1-OH 2.81Å; Y466-G468 PolarHBondContact O-N 3.22Å; Y466-P491 WeakPolarHBondContact O-CB 3.46Å; Y466-I492 VanDerWaalsContact CD1-O 3.3Å; Y466-I492 WeakPolarHBondContact CD1-O 3.47Å; Y466-Q493 VanDerWaalsContact CE1-OE1 3.31Å; Y466-Q493 PolarHBondContact OH-NE2 2.9Å; Y466-Q493 PolarHBondContact OH-OE1 3.48Å; Y466-M509 HydrophobicContact CD1-CE 3.35Å; Y466-M509 HydrophobicContact CD1-SD 3.17Å; Y466-M509 WeakPolarHBondContact CD1-SD 3.44Å; Y466-M509 HydrophobicContact CD2-CE 3.91Å; Y466-M509 HydrophobicContact CE1-CE 3.58Å; Y466-M509 HydrophobicContact CE1-CG 4.06Å; Y466-M509 HydrophobicContact CE1-SD 3.26Å; Y466-M509 WeakPolarHBondContact CE1-SD 3.1Å; Y466-M509 HydrophobicContact CE2-CE 4.14Å; Y466-M509 HydrophobicContact CG-CE 3.54Å; Y466-M509 HydrophobicContact CG-SD 4.01Å
467	S	90.5	Very high	94.9	Very high	7 Å²	7	24.2 Å²	24.2	5%	0.049	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-2.9	168.8	50.5	0	0	0	0	113.9	D446 S465 L469 G487	D446-S467 WeakPolarHBondContact OD1-CB 3.37Å; D446-S467 PolarHBondContact OD1-OG 3.35Å; S465-S467 PolarHBondContact O-N 3.49Å; S465-S467 PolarHBondContact OG-OG 3.47Å; S467-L469 VanDerWaalsContact C-N 3.29Å; S467-G487 CarbonylContact O-C 3.54Å
468	G	92.1	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	80.4	12.1	-175.8	0	0	0	0	0	113	S465 Y466 S485 F486 N490	S465-G468 PolarHBondContact O-N 3Å; Y466-G468 PolarHBondContact O-N 3.22Å; G468-S485 WeakPolarHBondContact O-CA 2.9Å; G468-F486 PolarHBondContact O-N 2.77Å; G468-N490 WeakPolarHBondContact CA-O 3.38Å
469	L	93.9	Very high	94.9	Very high	18 Å²	18	23.7 Å²	23.7	9%	0.094	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	178.4	-178.3	65.1	0	0	0	110.7	H445 C464 S465 S467 K471 M483	H445-L469 PolarHBondContact CE1-O 3.12Å; C464-L469 WeakPolarHBondContact CA-O 3.2Å; S465-L469 PolarHBondContact N-O 3.04Å; S465-L469 VanDerWaalsContact N-O 3.12Å; S465-L469 PolarHBondContact OG-O 2.98Å; S467-L469 VanDerWaalsContact C-N 3.29Å; L469-K471 HydrophobicContact CD1-CG 4.33Å; L469-K471 HydrophobicContact CD2-CD 4Å; L469-K471 HydrophobicContact CD2-CG 4.03Å; L469-K471 HydrophobicContact CG-CG 4.01Å; L469-M483 HydrophobicContact CD1-CB 4.39Å
470	I	95.4	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.2	165.8	-54	-179.6	0	0	0	107.6	T463 C464 M483 K484 F486 I492 L504 V506 L516 L521	T463-I470 WeakPolarHBondContact O-CA 3.49Å; C464-I470 HydrophobicContact CB-CG1 4.42Å; I470-M483 CarbonylContact O-C 3.57Å; I470-M483 WeakPolarHBondContact O-CA 3.45Å; I470-K484 PolarHBondContact N-O 2.88Å; I470-K484 PolarHBondContact O-N 3.13Å; I470-F486 HydrophobicContact CD1-CD2 4.46Å; I470-F486 HydrophobicContact CD1-CE2 3.73Å; I470-F486 HydrophobicContact CG1-CE2 4.34Å; I470-I492 HydrophobicContact CD1-CD1 3.84Å; I470-I492 HydrophobicContact CG1-CD1 3.37Å; I470-L504 HydrophobicContact CG2-CD2 4.1Å; I470-V506 HydrophobicContact CD1-CB 4.38Å; I470-V506 HydrophobicContact CD1-CG1 3.91Å; I470-V506 HydrophobicContact CD1-CG2 3.6Å; I470-L516 HydrophobicContact CD1-CD1 3.72Å; I470-L521 HydrophobicContact CB-CD1 4.41Å; I470-L521 HydrophobicContact CG2-CD1 4.2Å; I470-L521 HydrophobicContact CG2-CD2 4.33Å
471	K	95.2	Very high	94.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.3	170.7	-71	-172.9	67.7	-173.2	0	109.8	I443 E444 A462 T463 L469 Y473 M483	I443-K471 WeakPolarHBondContact O-CE 3.4Å; I443-K471 PolarHBondContact O-NZ 2.93Å; E444-K471 IonicContact OE1-NZ 3.37Å; E444-K471 PolarHBondContact OE1-NZ 3.07Å; E444-K471 IonicContact OE2-NZ 3.93Å; E444-K471 PolarHBondContact OE2-NZ 3.25Å; A462-K471 CarbonylContact C-O 3.38Å; A462-K471 VanDerWaalsContact CA-O 3.32Å; A462-K471 WeakPolarHBondContact CA-O 3.18Å; T463-K471 PolarHBondContact N-O 2.86Å; T463-K471 PolarHBondContact O-N 2.93Å; T463-K471 PolarHBondContact OG1-O 2.91Å; L469-K471 HydrophobicContact CD1-CG 4.33Å; L469-K471 HydrophobicContact CD2-CD 4Å; L469-K471 HydrophobicContact CD2-CG 4.03Å; L469-K471 HydrophobicContact CG-CG 4.01Å; K471-Y473 HydrophobicContact CB-CD2 4.28Å; K471-Y473 HydrophobicContact CB-CE2 3.53Å; K471-Y473 HydrophobicContact CD-CE2 4.41Å; K471-Y473 VanDerWaalsContact CD-OH 3.3Å; K471-Y473 WeakPolarHBondContact CD-OH 3.4Å; K471-Y473 VanDerWaalsContact CE-CZ 3.41Å; K471-Y473 WeakPolarHBondContact CE-OH 3.06Å; K471-Y473 PolarHBondContact NZ-OH 3.13Å; K471-M483 HydrophobicContact CG-CB 3.93Å
472	V	96.8	Very high	94.6	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.9	171.9	-174.7	0	0	0	0	108.3	H460 I461 A462 I481 T482 L521	H460-V472 HydrophobicContact CB-CG1 3.96Å; I461-V472 CarbonylContact O-C 3.05Å; I461-V472 VanDerWaalsContact O-CA 3.27Å; I461-V472 WeakPolarHBondContact O-CA 3.46Å; A462-V472 HydrophobicContact CB-CG2 4.11Å; V472-I481 HydrophobicContact CG1-CD1 4.24Å; V472-I481 PolarHBondContact O-N 2.88Å; V472-T482 HydrophobicContact CB-CG2 3.78Å; V472-T482 HydrophobicContact CG2-CG2 3.85Å; V472-T482 PolarHBondContact N-O 3.49Å; V472-T482 PolarHBondContact O-N 3.46Å; V472-L521 HydrophobicContact CG2-CD1 4.38Å; V472-L521 HydrophobicContact CG2-CD2 4.16Å
473	Y	95.4	Very high	94.5	Very high	6 Å²	6	32.4 Å²	32.4	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.7	178.5	-55	-104.2	0	0	0	110.1	F83 E444 H460 I461 T463 K471 Y475 L479 V480	F83-Y473 HydrophobicContact CB-CE1 4.49Å; F83-Y473 AromaticContact CD1-CD1 3.62Å; F83-Y473 HydrophobicContact CD1-CD1 3.62Å; F83-Y473 HydrophobicContact CD1-CD2 4.4Å; F83-Y473 AromaticContact CD1-CE1 3.66Å; F83-Y473 HydrophobicContact CD1-CE1 3.66Å; F83-Y473 HydrophobicContact CD1-CE2 4.47Å; F83-Y473 AromaticContact CD1-CG 3.99Å; F83-Y473 HydrophobicContact CD1-CG 3.99Å; F83-Y473 AromaticContact CE1-CD1 3.83Å; F83-Y473 HydrophobicContact CE1-CD1 3.83Å; F83-Y473 HydrophobicContact CE1-CE1 4.35Å; F83-Y473 AromaticContact CE1-CG 3.97Å; F83-Y473 HydrophobicContact CE1-CG 3.97Å; F83-Y473 HydrophobicContact CG-CE1 4.45Å; E444-Y473 PolarHBondContact OE2-OH 3.36Å; H460-Y473 CarbonylContact C-O 3.53Å; H460-Y473 WeakPolarHBondContact CA-O 3.44Å; I461-Y473 HydrophobicContact CG2-CD2 4.31Å; I461-Y473 PolarHBondContact N-O 3.41Å; I461-Y473 PolarHBondContact O-N 2.67Å; T463-Y473 HydrophobicContact CG2-CE2 4.41Å; K471-Y473 HydrophobicContact CB-CD2 4.28Å; K471-Y473 HydrophobicContact CB-CE2 3.53Å; K471-Y473 HydrophobicContact CD-CE2 4.41Å; K471-Y473 VanDerWaalsContact CD-OH 3.3Å; K471-Y473 WeakPolarHBondContact CD-OH 3.4Å; K471-Y473 VanDerWaalsContact CE-CZ 3.41Å; K471-Y473 WeakPolarHBondContact CE-OH 3.06Å; K471-Y473 PolarHBondContact NZ-OH 3.13Å; Y473-Y475 PolarHBondContact O-N 2.84Å; Y473-L479 CarbonylContact C-O 3.59Å; Y473-L479 WeakPolarHBondContact CA-O 2.95Å; Y473-V480 HydrophobicContact CD1-CG2 3.74Å; Y473-V480 HydrophobicContact CE1-CG2 3.65Å
474	D	96.3	Very high	94.3	Very high	36 Å²	36	34.7 Å²	34.7	19%	0.193	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.8	155.5	173.4	10.5	0	0	0	107.2	N459 E476 S477 K478 L479 I481	N459-D474 WeakPolarHBondContact CB-OD1 3.43Å; N459-D474 WeakPolarHBondContact O-CA 3.38Å; D474-E476 PolarHBondContact O-N 2.79Å; D474-E476 WeakPolarHBondContact OD1-CB 3.11Å; D474-E476 PolarHBondContact OD1-N 2.93Å; D474-S477 WeakPolarHBondContact CB-OG 3.09Å; D474-S477 VanDerWaalsContact OD2-CB 3.24Å; D474-S477 WeakPolarHBondContact OD2-CB 3.24Å; D474-S477 PolarHBondContact OD2-N 2.72Å; D474-S477 PolarHBondContact OD2-OG 3.34Å; D474-K478 VanDerWaalsContact O-CA 3.27Å; D474-K478 WeakPolarHBondContact O-CA 3.47Å; D474-K478 PolarHBondContact O-N 3.06Å; D474-L479 PolarHBondContact N-O 2.75Å; D474-L479 PolarHBondContact O-N 2.96Å; D474-I481 HydrophobicContact CB-CD1 3.86Å; D474-I481 HydrophobicContact CB-CG1 4Å
475	Y	95.4	Very high	94.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.016	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7	-177.2	62.3	-108.2	0	0	0	112.7	N459 I461 Y473 K478 D746 Y751 F753 M764	N459-Y475 VanDerWaalsContact CA-CE1 3.44Å; N459-Y475 VanDerWaalsContact CA-CZ 3.42Å; N459-Y475 WeakPolarHBondContact CA-OH 3.15Å; N459-Y475 HydrophobicContact CB-CD2 4.41Å; N459-Y475 HydrophobicContact CB-CE1 4.05Å; N459-Y475 HydrophobicContact CB-CE2 3.89Å; N459-Y475 WeakPolarHBondContact O-CD1 3.15Å; N459-Y475 WeakPolarHBondContact O-CE1 3.36Å; N459-Y475 PolarHBondContact O-N 3.28Å; N459-Y475 PolarHBondContact OD1-OH 2.81Å; I461-Y475 HydrophobicContact CB-CD1 4.26Å; I461-Y475 HydrophobicContact CG2-CD1 4.21Å; Y473-Y475 PolarHBondContact O-N 2.84Å; Y475-K478 WeakPolarHBondContact O-CD 3.49Å; Y475-K478 VanDerWaalsContact O-CE 3.25Å; Y475-K478 WeakPolarHBondContact O-CE 3.27Å; Y475-K478 PolarHBondContact O-NZ 3.2Å; Y475-D746 HydrophobicContact CE2-CB 4.38Å; Y475-Y751 HydrophobicContact CD2-CD2 4.32Å; Y475-Y751 HydrophobicContact CE2-CD2 4.1Å; Y475-F753 HydrophobicContact CD1-CE1 4.45Å; Y475-F753 HydrophobicContact CD1-CE2 4.21Å; Y475-F753 AromaticContact CD1-CZ 3.65Å; Y475-F753 HydrophobicContact CD1-CZ 3.65Å; Y475-F753 AromaticContact CD2-CZ 3.97Å; Y475-F753 HydrophobicContact CD2-CZ 3.97Å; Y475-F753 HydrophobicContact CE1-CE2 4.41Å; Y475-F753 HydrophobicContact CE1-CZ 4.23Å; Y475-F753 HydrophobicContact CG-CE1 4.18Å; Y475-F753 HydrophobicContact CG-CE2 4.45Å; Y475-F753 AromaticContact CG-CZ 3.52Å; Y475-F753 HydrophobicContact CG-CZ 3.52Å; Y475-M764 HydrophobicContact CD2-CE 4.08Å
476	E	94	Very high	94	Very high	115 Å²	115	40.1 Å²	40.1	54%	0.537	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-55.5	173.1	-165.4	162	177.7	0	0	109.9	N459 D474 K478	N459-E476 HydrophobicContact CB-CB 4.25Å; N459-E476 PolarHBondContact ND2-OE2 2.96Å; D474-E476 PolarHBondContact O-N 2.79Å; D474-E476 WeakPolarHBondContact OD1-CB 3.11Å; D474-E476 PolarHBondContact OD1-N 2.93Å; E476-K478 VanDerWaalsContact C-N 3.27Å; E476-K478 PolarHBondContact O-N 2.77Å; E476-K478 PolarHBondContact O-NZ 3.04Å; E476-K478 VanDerWaalsContact O-NZ 3.09Å
477	S	93.9	Very high	93.7	Very high	52 Å²	52	38.5 Å²	38.5	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-14	175.9	65.8	0	0	0	0	114.6	N118 D474 L479	N118-S477 PolarHBondContact ND2-O 3.26Å; D474-S477 WeakPolarHBondContact CB-OG 3.09Å; D474-S477 VanDerWaalsContact OD2-CB 3.24Å; D474-S477 WeakPolarHBondContact OD2-CB 3.24Å; D474-S477 PolarHBondContact OD2-N 2.72Å; D474-S477 PolarHBondContact OD2-OG 3.34Å; S477-L479 VanDerWaalsContact C-N 3.27Å; S477-L479 PolarHBondContact O-N 2.75Å
478	K	94.3	Very high	93.4	Very high	41 Å²	41	43.8 Å²	43.8	18%	0.178	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	33.4	-176.4	-48	-63.8	-175.9	-70.9	0	112.6	W81 N118 D474 Y475 E476	W81-K478 HydrophobicContact CB-CD 4.3Å; W81-K478 HydrophobicContact CD2-CB 4.38Å; W81-K478 HydrophobicContact CD2-CD 3.66Å; W81-K478 HydrophobicContact CD2-CG 3.98Å; W81-K478 HydrophobicContact CE3-CD 3.94Å; W81-K478 HydrophobicContact CE3-CG 3.93Å; W81-K478 HydrophobicContact CG-CD 3.82Å; W81-K478 HydrophobicContact CH2-CB 3.95Å; W81-K478 HydrophobicContact CH2-CG 4.06Å; W81-K478 HydrophobicContact CZ2-CB 3.75Å; W81-K478 HydrophobicContact CZ2-CG 4.15Å; W81-K478 HydrophobicContact CZ3-CB 4.36Å; W81-K478 HydrophobicContact CZ3-CD 4.47Å; W81-K478 HydrophobicContact CZ3-CG 3.95Å; N118-K478 PolarHBondContact ND2-O 2.94Å; D474-K478 VanDerWaalsContact O-CA 3.27Å; D474-K478 WeakPolarHBondContact O-CA 3.47Å; D474-K478 PolarHBondContact O-N 3.06Å; Y475-K478 WeakPolarHBondContact O-CD 3.49Å; Y475-K478 VanDerWaalsContact O-CE 3.25Å; Y475-K478 WeakPolarHBondContact O-CE 3.27Å; Y475-K478 PolarHBondContact O-NZ 3.2Å; E476-K478 VanDerWaalsContact C-N 3.27Å; E476-K478 PolarHBondContact O-N 2.77Å; E476-K478 PolarHBondContact O-NZ 3.04Å; E476-K478 VanDerWaalsContact O-NZ 3.09Å
479	L	93.2	Very high	93.2	Very high	99 Å²	99	51.2 Å²	51.2	52%	0.518	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.6	-179.5	-64.1	176.9	0	0	0	111.3	Y473 D474 S477	Y473-L479 CarbonylContact C-O 3.59Å; Y473-L479 WeakPolarHBondContact CA-O 2.95Å; D474-L479 PolarHBondContact N-O 2.75Å; D474-L479 PolarHBondContact O-N 2.96Å; S477-L479 VanDerWaalsContact C-N 3.27Å; S477-L479 PolarHBondContact O-N 2.75Å
480	V	93.2	Very high	93.1	Very high	59 Å²	59	53.3 Å²	53.3	36%	0.358	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.3	170.9	-177.6	0	0	0	0	108.6	Y473 M483	Y473-V480 HydrophobicContact CD1-CG2 3.74Å; Y473-V480 HydrophobicContact CE1-CG2 3.65Å; V480-M483 HydrophobicContact CG1-CE 3.87Å
481	I	93.9	Very high	93	Very high	68 Å²	68	54.5 Å²	54.5	35%	0.349	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-50.5	177.2	-55.4	179.9	0	0	0	109.6	H460 V472 D474	H460-I481 HydrophobicContact CB-CD1 4.34Å; H460-I481 WeakPolarHBondContact CD2-CD1 3.41Å; H460-I481 WeakPolarHBondContact CE1-CD1 3.43Å; H460-I481 VanDerWaalsContact CG-CD1 3.43Å; H460-I481 WeakPolarHBondContact ND1-CD1 3.38Å; H460-I481 WeakPolarHBondContact NE2-CD1 3.43Å; V472-I481 HydrophobicContact CG1-CD1 4.24Å; V472-I481 PolarHBondContact O-N 2.88Å; D474-I481 HydrophobicContact CB-CD1 3.86Å; D474-I481 HydrophobicContact CB-CG1 4Å
482	T	95.1	Very high	93.1	Very high	29 Å²	29	54.4 Å²	54.4	18%	0.178	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.8	-177.8	-174.3	0	0	0	0	109.8	V472 L519 L521	V472-T482 HydrophobicContact CB-CG2 3.78Å; V472-T482 HydrophobicContact CG2-CG2 3.85Å; V472-T482 PolarHBondContact N-O 3.49Å; V472-T482 PolarHBondContact O-N 3.46Å; T482-L519 VanDerWaalsContact CG2-O 3.23Å; T482-L519 WeakPolarHBondContact CG2-O 3.46Å; T482-L521 HydrophobicContact CG2-CD1 3.7Å; T482-L521 HydrophobicContact CG2-CG 3.77Å
483	M	94.3	Very high	93	Very high	80 Å²	80	55.7 Å²	55.7	39%	0.394	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.1	172.4	65.6	176	73.5	0	0	109.9	L469 I470 K471 V480	L469-M483 HydrophobicContact CD1-CB 4.39Å; I470-M483 CarbonylContact O-C 3.57Å; I470-M483 WeakPolarHBondContact O-CA 3.45Å; K471-M483 HydrophobicContact CG-CB 3.93Å; V480-M483 HydrophobicContact CG1-CE 3.87Å
484	K	94.3	Very high	93	Very high	48 Å²	48	55.8 Å²	55.8	21%	0.209	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	131.2	175.8	-178.7	169.4	175	174.8	0	109.7	I470 F486 L521 E523	I470-K484 PolarHBondContact N-O 2.88Å; I470-K484 PolarHBondContact O-N 3.13Å; K484-F486 HydrophobicContact CD-CE2 4.09Å; K484-F486 HydrophobicContact CD-CZ 3.91Å; K484-F486 VanDerWaalsContact CE-CZ 3.48Å; K484-F486 HydrophobicContact CG-CE2 4.09Å; K484-F486 HydrophobicContact CG-CZ 4.37Å; K484-L521 HydrophobicContact CB-CB 3.92Å; K484-L521 HydrophobicContact CB-CD1 3.69Å; K484-L521 HydrophobicContact CB-CG 4.48Å; K484-L521 HydrophobicContact CD-CB 3.97Å; K484-L521 WeakPolarHBondContact CD-O 3.39Å; K484-L521 PolarHBondContact NZ-O 3.09Å; K484-E523 IonicContact NZ-OE1 3.46Å; K484-E523 PolarHBondContact NZ-OE1 3.26Å
485	S	92.1	Very high	93	Very high	80 Å²	80	54.5 Å²	54.5	56%	0.559	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.7	174	-177.4	0	0	0	0	110.5	G468 G487	G468-S485 WeakPolarHBondContact O-CA 2.9Å; S485-G487 PolarHBondContact OG-N 2.82Å
486	F	91.3	Very high	93.1	Very high	34 Å²	34	55.4 Å²	55.4	15%	0.149	31%	0.306	C	S	.	.			trans	-94.5	1.8	171.1	-66.8	-91.6	0	0	0	112.6	G468 I470 K484 N490 I492 F508 L516 E523	G468-F486 PolarHBondContact O-N 2.77Å; I470-F486 HydrophobicContact CD1-CD2 4.46Å; I470-F486 HydrophobicContact CD1-CE2 3.73Å; I470-F486 HydrophobicContact CG1-CE2 4.34Å; K484-F486 HydrophobicContact CD-CE2 4.09Å; K484-F486 HydrophobicContact CD-CZ 3.91Å; K484-F486 VanDerWaalsContact CE-CZ 3.48Å; K484-F486 HydrophobicContact CG-CE2 4.09Å; K484-F486 HydrophobicContact CG-CZ 4.37Å; F486-N490 HydrophobicContact CB-CB 3.77Å; F486-N490 PolarHBondContact O-ND2 3.49Å; F486-N490 VanDerWaalsContact O-ND2 3.13Å; F486-I492 HydrophobicContact CD2-CD1 3.94Å; F486-I492 HydrophobicContact CE2-CD1 4.41Å; F486-F508 HydrophobicContact CB-CE1 4.1Å; F486-F508 HydrophobicContact CD1-CE1 4.22Å; F486-F508 AromaticContact CD1-CZ 4Å; F486-F508 HydrophobicContact CD1-CZ 4Å; F486-F508 HydrophobicContact CD2-CE1 4.17Å; F486-F508 HydrophobicContact CD2-CZ 4.04Å; F486-F508 HydrophobicContact CE1-CZ 4.07Å; F486-F508 HydrophobicContact CE2-CZ 4.12Å; F486-F508 AromaticContact CG-CE1 3.91Å; F486-F508 HydrophobicContact CG-CE1 3.91Å; F486-F508 AromaticContact CG-CZ 3.97Å; F486-F508 HydrophobicContact CG-CZ 3.97Å; F486-F508 HydrophobicContact CZ-CZ 4.12Å; F486-L516 HydrophobicContact CE2-CD1 4.31Å; F486-L516 HydrophobicContact CZ-CD1 4.09Å; F486-L516 HydrophobicContact CZ-CD2 4.25Å; F486-E523 WeakPolarHBondContact CE1-OE1 3.23Å
487	G	86.9	Confident	93.2	Very high	29 Å²	29	50.2 Å²	50.2	30%	0.299	28%	0.282	S	S	.	.			trans	74.9	166.1	-177.2	0	0	0	0	0	114.1	S467 S485 N489 N490	S467-G487 CarbonylContact O-C 3.54Å; S485-G487 PolarHBondContact OG-N 2.82Å; G487-N489 PolarHBondContact O-N 2.8Å; G487-N490 PolarHBondContact O-N 3.1Å
488	L	83.7	Confident	93.2	Very high	119 Å²	119	47.8 Å²	47.8	62%	0.623	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.5	-175.5	-62.3	172.1	0	0	0	114.2
489	N	87.8	Confident	93	Very high	155 Å²	155	50 Å²	50	83%	0.829	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-13.6	178.4	-65.2	-19.9	0	0	0	113.3	G487 P491	G487-N489 PolarHBondContact O-N 2.8Å; N489-P491 WeakPolarHBondContact O-CD 3.14Å
490	N	92.3	Very high	92.9	Very high	63 Å²	63	48.6 Å²	48.6	34%	0.337	27%	0.27	S	S	.	.	S	Bend	trans	-124.8	66.2	179.7	-63	-74.9	0	0	0	110.4	G468 F486 G487 F508	G468-N490 WeakPolarHBondContact CA-O 3.38Å; F486-N490 HydrophobicContact CB-CB 3.77Å; F486-N490 PolarHBondContact O-ND2 3.49Å; F486-N490 VanDerWaalsContact O-ND2 3.13Å; G487-N490 PolarHBondContact O-N 3.1Å; N490-F508 HydrophobicContact CB-CD1 3.99Å; N490-F508 HydrophobicContact CB-CE1 3.94Å; N490-F508 WeakPolarHBondContact O-CD1 3.47Å; N490-F508 WeakPolarHBondContact O-CE1 3.23Å
491	P	94.6	Very high	92.8	Very high	24 Å²	24	45.9 Å²	45.9	16%	0.156	25%	0.253	C	S	.	.			trans	-73.3	146.1	-176.4	36.6	-41.9	0	0	0	111.1	Y466 N489 F508 M509	Y466-P491 WeakPolarHBondContact O-CB 3.46Å; N489-P491 WeakPolarHBondContact O-CD 3.14Å; P491-F508 WeakPolarHBondContact O-CA 3.44Å; P491-M509 HydrophobicContact CB-CE 3.26Å; P491-M509 HydrophobicContact CB-SD 3.34Å; P491-M509 WeakPolarHBondContact CB-SD 3.4Å; P491-M509 HydrophobicContact CG-CB 4.07Å; P491-M509 HydrophobicContact CG-CE 3.2Å; P491-M509 HydrophobicContact CG-CG 4.36Å; P491-M509 HydrophobicContact CG-SD 3.4Å; P491-M509 WeakPolarHBondContact CG-SD 3.37Å; P491-M509 PolarHBondContact O-N 3.43Å
492	I	95.8	Very high	92.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.1	-168.6	-59.7	165.1	0	0	0	110.8	C464 S465 Y466 I470 F486 V506 F508	C464-I492 HydrophobicContact CB-CB 4.14Å; C464-I492 HydrophobicContact CB-CG2 3.55Å; S465-I492 CarbonylContact C-O 3.55Å; S465-I492 PolarHBondContact O-N 3.42Å; Y466-I492 VanDerWaalsContact CD1-O 3.3Å; Y466-I492 WeakPolarHBondContact CD1-O 3.47Å; I470-I492 HydrophobicContact CD1-CD1 3.84Å; I470-I492 HydrophobicContact CG1-CD1 3.37Å; F486-I492 HydrophobicContact CD2-CD1 3.94Å; F486-I492 HydrophobicContact CE2-CD1 4.41Å; I492-V506 HydrophobicContact CB-CG1 4.4Å; I492-V506 HydrophobicContact CD1-CG1 4.09Å; I492-V506 HydrophobicContact CG1-CG1 4.08Å; I492-V506 HydrophobicContact CG2-CG1 3.42Å; I492-V506 VanDerWaalsContact CG2-CG1 3.42Å; I492-F508 HydrophobicContact CD1-CE1 4.26Å; I492-F508 HydrophobicContact CG1-CD1 3.87Å; I492-F508 HydrophobicContact CG1-CE1 3.58Å; I492-F508 HydrophobicContact CG1-CZ 4.13Å
493	Q	95.7	Very high	92.5	Very high	29 Å²	29	45.7 Å²	45.7	14%	0.136	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-41.7	-177.3	-177.5	65.9	58.6	0	0	113.3	Y466 G507 M509 I536	Y466-Q493 VanDerWaalsContact CE1-OE1 3.31Å; Y466-Q493 PolarHBondContact OH-NE2 2.9Å; Y466-Q493 PolarHBondContact OH-OE1 3.48Å; Q493-G507 PolarHBondContact N-O 3.1Å; Q493-M509 HydrophobicContact CB-CG 4.25Å; Q493-I536 WeakPolarHBondContact CB-O 3.48Å; Q493-I536 WeakPolarHBondContact CG-O 3.21Å
494	S	96.1	Very high	92.6	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.8	-170.7	51.4	0	0	0	0	111.1	V506 G507 I536 I539	S494-V506 WeakPolarHBondContact O-CA 3.33Å; S494-G507 PolarHBondContact N-O 2.83Å; S494-G507 VanDerWaalsContact N-O 3.15Å; S494-G507 PolarHBondContact O-N 3.01Å; S494-I536 PolarHBondContact OG-O 3.27Å; S494-I539 WeakPolarHBondContact OG-CD1 3.43Å
495	C	96.2	Very high	92.6	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.068	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	145.8	169.2	67.1	0	0	0	0	110.8	C464 L504 A505 V506	C464-C495 HydrophobicContact CB-CB 4.47Å; C495-L504 HydrophobicContact CB-CD1 4.2Å; C495-A505 CarbonylContact C-O 3.54Å; C495-A505 WeakPolarHBondContact CA-O 3.48Å; C495-V506 HydrophobicContact CB-CG2 4.49Å
496	V	96.7	Very high	92.8	Very high	22 Å²	22	35.8 Å²	35.8	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	135.1	177.5	72.5	0	0	0	0	110.5	A505 I539 F541	V496-A505 HydrophobicContact CG1-CB 4.27Å; V496-A505 PolarHBondContact N-O 3.02Å; V496-A505 PolarHBondContact O-N 3.42Å; V496-I539 HydrophobicContact CG1-CB 3.61Å; V496-I539 HydrophobicContact CG1-CG2 3.44Å; V496-I539 VanDerWaalsContact CG1-CG2 3.44Å; V496-F541 HydrophobicContact CG1-CD2 3.81Å; V496-F541 HydrophobicContact CG1-CE2 3.69Å
497	Y	96.1	Very high	93.1	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.8	169.4	-76.7	-68.6	0	0	0	110.4	T453 T454 H455 A462 Y503 L504	T453-Y497 HydrophobicContact CG2-CD2 3.49Å; T453-Y497 VanDerWaalsContact CG2-CD2 3.49Å; T453-Y497 HydrophobicContact CG2-CE2 3.81Å; T453-Y497 HydrophobicContact CG2-CG 4.27Å; T453-Y497 PolarHBondContact OG1-N 2.84Å; T454-Y497 WeakPolarHBondContact O-CD2 2.94Å; H455-Y497 HydrophobicContact CB-CD2 4.12Å; H455-Y497 HydrophobicContact CB-CE2 3.93Å; A462-Y497 HydrophobicContact CB-CE2 3.81Å; Y497-Y503 WeakPolarHBondContact CA-O 3.16Å; Y497-L504 HydrophobicContact CD1-CB 4.16Å; Y497-L504 HydrophobicContact CD1-CD1 3.92Å; Y497-L504 HydrophobicContact CD2-CD1 4.32Å; Y497-L504 HydrophobicContact CE1-CB 4.05Å; Y497-L504 HydrophobicContact CE1-CD1 3.94Å; Y497-L504 HydrophobicContact CE1-CG 4.44Å; Y497-L504 HydrophobicContact CE2-CD1 4.36Å; Y497-L504 HydrophobicContact CG-CD1 4.11Å
498	D	93.2	Very high	93.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.173	C	C	.	.			trans	-65.8	163.2	165.3	85.5	-54.5	0	0	0	110.4	T500 G501 Q502 Y503 F541 N545	D498-T500 PolarHBondContact O-N 2.82Å; D498-T500 VanDerWaalsContact O-N 3.09Å; D498-T500 PolarHBondContact OD1-OG1 2.92Å; D498-T500 WeakPolarHBondContact OD2-CB 2.86Å; D498-T500 PolarHBondContact OD2-N 2.94Å; D498-T500 PolarHBondContact OD2-OG1 3.39Å; D498-G501 PolarHBondContact O-N 3.3Å; D498-G501 VanDerWaalsContact OD1-C 3.26Å; D498-G501 VanDerWaalsContact OD1-CA 3.28Å; D498-G501 WeakPolarHBondContact OD1-CA 3.3Å; D498-G501 PolarHBondContact OD1-N 3.46Å; D498-Q502 PolarHBondContact OD1-N 3.11Å; D498-Y503 PolarHBondContact N-O 3.15Å; D498-Y503 PolarHBondContact OD1-N 3.39Å; D498-F541 VanDerWaalsContact CA-CD2 3.5Å; D498-F541 HydrophobicContact CB-CD1 4.08Å; D498-F541 HydrophobicContact CB-CD2 3.99Å; D498-F541 HydrophobicContact CB-CE1 4.08Å; D498-F541 HydrophobicContact CB-CE2 3.97Å; D498-F541 HydrophobicContact CB-CG 4.02Å; D498-F541 HydrophobicContact CB-CZ 4.01Å; D498-N545 PolarHBondContact OD2-ND2 2.82Å; D498-N545 PolarHBondContact OD2-OD1 3Å
499	K	90.6	Very high	94.1	Very high	87 Å²	87	29.6 Å²	29.6	38%	0.378	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.3	-173.5	-54.3	-59	179.2	-170.4	0	113.2	D540 F541 S542	K499-D540 IonicContact NZ-OD1 2.74Å; K499-D540 PolarHBondContact NZ-OD1 2.91Å; K499-F541 WeakPolarHBondContact CE-O 3.48Å; K499-F541 HydrophobicContact CG-CB 4.21Å; K499-S542 WeakPolarHBondContact CG-O 3.34Å
500	T	90.5	Very high	94.3	Very high	70 Å²	70	24.8 Å²	24.8	43%	0.429	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-20.3	171.6	73.2	0	0	0	0	113.1	D498 Q502 N545	D498-T500 PolarHBondContact O-N 2.82Å; D498-T500 VanDerWaalsContact O-N 3.09Å; D498-T500 PolarHBondContact OD1-OG1 2.92Å; D498-T500 WeakPolarHBondContact OD2-CB 2.86Å; D498-T500 PolarHBondContact OD2-N 2.94Å; D498-T500 PolarHBondContact OD2-OG1 3.39Å; T500-Q502 WeakPolarHBondContact OG1-CB 3.47Å; T500-Q502 PolarHBondContact OG1-N 2.79Å; T500-N545 HydrophobicContact CG2-CB 4.46Å; T500-N545 VanDerWaalsContact CG2-ND2 3.33Å; T500-N545 WeakPolarHBondContact CG2-ND2 2.91Å
501	G	92.2	Very high	94.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	78.4	3.2	-174.3	0	0	0	0	0	114.1	H455 D498 Y503 S518	H455-G501 PolarHBondContact CD2-O 2.94Å; H455-G501 WeakPolarHBondContact NE2-CA 3.31Å; H455-G501 PolarHBondContact NE2-O 3.38Å; D498-G501 PolarHBondContact O-N 3.3Å; D498-G501 VanDerWaalsContact OD1-C 3.26Å; D498-G501 VanDerWaalsContact OD1-CA 3.28Å; D498-G501 WeakPolarHBondContact OD1-CA 3.3Å; D498-G501 PolarHBondContact OD1-N 3.46Å; G501-Y503 VanDerWaalsContact C-N 3.32Å; G501-S518 WeakPolarHBondContact O-CB 3.42Å; G501-S518 PolarHBondContact O-OG 2.79Å
502	Q	90.6	Very high	94.3	Very high	85 Å²	85	25 Å²	25	40%	0.397	13%	0.127	S	C	.	.	S	Bend	trans	-69.9	-31.1	177.6	-171.9	177.1	11.8	0	0	112.1	D498 T500 S518	D498-Q502 PolarHBondContact OD1-N 3.11Å; T500-Q502 WeakPolarHBondContact OG1-CB 3.47Å; T500-Q502 PolarHBondContact OG1-N 2.79Å; Q502-S518 WeakPolarHBondContact O-CB 3.5Å; Q502-S518 PolarHBondContact O-N 3.14Å; Q502-S518 PolarHBondContact O-OG 2.93Å
503	Y	92.4	Very high	94.3	Very high	8 Å²	8	25 Å²	25	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.5	-173.5	-54.5	-69.1	0	0	0	112.2	Y497 D498 G501 V515 L516 M524	Y497-Y503 WeakPolarHBondContact CA-O 3.16Å; D498-Y503 PolarHBondContact N-O 3.15Å; D498-Y503 PolarHBondContact OD1-N 3.39Å; G501-Y503 VanDerWaalsContact C-N 3.32Å; Y503-V515 HydrophobicContact CD1-CG1 4.28Å; Y503-V515 HydrophobicContact CG-CG1 4.13Å; Y503-L516 CarbonylContact C-O 3.59Å; Y503-L516 VanDerWaalsContact CA-O 3.25Å; Y503-L516 WeakPolarHBondContact CA-O 3.23Å; Y503-M524 HydrophobicContact CD1-CG 3.92Å; Y503-M524 HydrophobicContact CD1-SD 4.17Å; Y503-M524 HydrophobicContact CE1-CE 3.62Å; Y503-M524 HydrophobicContact CE1-CG 3.88Å; Y503-M524 HydrophobicContact CE1-SD 3.55Å; Y503-M524 VanDerWaalsContact CE1-SD 3.55Å
504	L	95.1	Very high	94.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112.9	173.5	-178.2	67.2	0	0	0	108.7	T453 A462 I470 C495 Y497 V506 L516 L521	T453-L504 HydrophobicContact CG2-CD1 3.75Å; A462-L504 HydrophobicContact CB-CD1 4.15Å; A462-L504 HydrophobicContact CB-CD2 4.04Å; I470-L504 HydrophobicContact CG2-CD2 4.1Å; C495-L504 HydrophobicContact CB-CD1 4.2Å; Y497-L504 HydrophobicContact CD1-CB 4.16Å; Y497-L504 HydrophobicContact CD1-CD1 3.92Å; Y497-L504 HydrophobicContact CD2-CD1 4.32Å; Y497-L504 HydrophobicContact CE1-CB 4.05Å; Y497-L504 HydrophobicContact CE1-CD1 3.94Å; Y497-L504 HydrophobicContact CE1-CG 4.44Å; Y497-L504 HydrophobicContact CE2-CD1 4.36Å; Y497-L504 HydrophobicContact CG-CD1 4.11Å; L504-V506 HydrophobicContact CD2-CG2 4.28Å; L504-V506 HydrophobicContact CG-CG2 4.09Å; L504-L516 HydrophobicContact CB-CB 4.49Å; L504-L516 PolarHBondContact N-O 2.88Å; L504-L516 PolarHBondContact O-N 3.31Å; L504-L521 HydrophobicContact CD2-CD2 3.98Å
505	A	95.7	Very high	94	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	137.1	169.8	0	0	0	0	0	110	C495 V496 L513 R514 I539 F541	C495-A505 CarbonylContact C-O 3.54Å; C495-A505 WeakPolarHBondContact CA-O 3.48Å; V496-A505 HydrophobicContact CG1-CB 4.27Å; V496-A505 PolarHBondContact N-O 3.02Å; V496-A505 PolarHBondContact O-N 3.42Å; A505-L513 HydrophobicContact CB-CD1 4.47Å; A505-R514 CarbonylContact C-O 3.6Å; A505-R514 WeakPolarHBondContact CA-O 3.28Å; A505-I539 HydrophobicContact CB-CD1 4.42Å; A505-I539 HydrophobicContact CB-CG2 3.95Å; A505-F541 HydrophobicContact CB-CE2 3.65Å; A505-F541 HydrophobicContact CB-CZ 3.61Å
506	V	96.5	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.7	-176.1	-175.4	0	0	0	0	109.1	I470 I492 S494 C495 L504 F508 L513 R514 L516	I470-V506 HydrophobicContact CD1-CB 4.38Å; I470-V506 HydrophobicContact CD1-CG1 3.91Å; I470-V506 HydrophobicContact CD1-CG2 3.6Å; I492-V506 HydrophobicContact CB-CG1 4.4Å; I492-V506 HydrophobicContact CD1-CG1 4.09Å; I492-V506 HydrophobicContact CG1-CG1 4.08Å; I492-V506 HydrophobicContact CG2-CG1 3.42Å; I492-V506 VanDerWaalsContact CG2-CG1 3.42Å; S494-V506 WeakPolarHBondContact O-CA 3.33Å; C495-V506 HydrophobicContact CB-CG2 4.49Å; L504-V506 HydrophobicContact CD2-CG2 4.28Å; L504-V506 HydrophobicContact CG-CG2 4.09Å; V506-F508 HydrophobicContact CB-CE2 4.17Å; V506-F508 HydrophobicContact CG1-CD2 4.35Å; V506-F508 HydrophobicContact CG1-CE2 3.74Å; V506-F508 HydrophobicContact CG1-CZ 4Å; V506-L513 WeakPolarHBondContact O-CA 3.13Å; V506-R514 PolarHBondContact N-O 3.46Å; V506-R514 PolarHBondContact O-N 2.74Å; V506-L516 HydrophobicContact CG2-CD1 3.72Å; V506-L516 HydrophobicContact CG2-CG 4.09Å
507	G	96.2	Very high	93.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.5	178.3	0	0	0	0	0	111.7	Q493 S494	Q493-G507 PolarHBondContact N-O 3.1Å; S494-G507 PolarHBondContact N-O 2.83Å; S494-G507 VanDerWaalsContact N-O 3.15Å; S494-G507 PolarHBondContact O-N 3.01Å
508	F	96.2	Very high	93.6	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	159.8	-175.7	-68.1	-99.7	0	0	0	111.7	F486 N490 P491 I492 V506 S510 G511 Y512 R514 I536	F486-F508 HydrophobicContact CB-CE1 4.1Å; F486-F508 HydrophobicContact CD1-CE1 4.22Å; F486-F508 AromaticContact CD1-CZ 4Å; F486-F508 HydrophobicContact CD1-CZ 4Å; F486-F508 HydrophobicContact CD2-CE1 4.17Å; F486-F508 HydrophobicContact CD2-CZ 4.04Å; F486-F508 HydrophobicContact CE1-CZ 4.07Å; F486-F508 HydrophobicContact CE2-CZ 4.12Å; F486-F508 AromaticContact CG-CE1 3.91Å; F486-F508 HydrophobicContact CG-CE1 3.91Å; F486-F508 AromaticContact CG-CZ 3.97Å; F486-F508 HydrophobicContact CG-CZ 3.97Å; F486-F508 HydrophobicContact CZ-CZ 4.12Å; N490-F508 HydrophobicContact CB-CD1 3.99Å; N490-F508 HydrophobicContact CB-CE1 3.94Å; N490-F508 WeakPolarHBondContact O-CD1 3.47Å; N490-F508 WeakPolarHBondContact O-CE1 3.23Å; P491-F508 WeakPolarHBondContact O-CA 3.44Å; I492-F508 HydrophobicContact CD1-CE1 4.26Å; I492-F508 HydrophobicContact CG1-CD1 3.87Å; I492-F508 HydrophobicContact CG1-CE1 3.58Å; I492-F508 HydrophobicContact CG1-CZ 4.13Å; V506-F508 HydrophobicContact CB-CE2 4.17Å; V506-F508 HydrophobicContact CG1-CD2 4.35Å; V506-F508 HydrophobicContact CG1-CE2 3.74Å; V506-F508 HydrophobicContact CG1-CZ 4Å; F508-S510 PolarHBondContact O-N 3.47Å; F508-G511 PolarHBondContact O-N 3.33Å; F508-G511 VanDerWaalsContact O-N 3.12Å; F508-Y512 WeakPolarHBondContact CD2-O 3.49Å; F508-Y512 PolarHBondContact N-O 3.44Å; F508-R514 HydrophobicContact CD2-CG 4.32Å; F508-R514 HydrophobicContact CE2-CB 4Å; F508-R514 HydrophobicContact CE2-CG 3.5Å; F508-R514 VanDerWaalsContact CE2-CG 3.5Å; F508-R514 HydrophobicContact CZ-CG 4.17Å; F508-I536 PolarHBondContact O-N 2.85Å
509	M	95.4	Very high	93.4	Very high	49 Å²	49	29.7 Å²	29.7	24%	0.241	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.5	173.3	-70.1	110.9	87.2	0	0	113.7	Y466 P491 Q493 G511 P535	Y466-M509 HydrophobicContact CD1-CE 3.35Å; Y466-M509 HydrophobicContact CD1-SD 3.17Å; Y466-M509 WeakPolarHBondContact CD1-SD 3.44Å; Y466-M509 HydrophobicContact CD2-CE 3.91Å; Y466-M509 HydrophobicContact CE1-CE 3.58Å; Y466-M509 HydrophobicContact CE1-CG 4.06Å; Y466-M509 HydrophobicContact CE1-SD 3.26Å; Y466-M509 WeakPolarHBondContact CE1-SD 3.1Å; Y466-M509 HydrophobicContact CE2-CE 4.14Å; Y466-M509 HydrophobicContact CG-CE 3.54Å; Y466-M509 HydrophobicContact CG-SD 4.01Å; P491-M509 HydrophobicContact CB-CE 3.26Å; P491-M509 HydrophobicContact CB-SD 3.34Å; P491-M509 WeakPolarHBondContact CB-SD 3.4Å; P491-M509 HydrophobicContact CG-CB 4.07Å; P491-M509 HydrophobicContact CG-CE 3.2Å; P491-M509 HydrophobicContact CG-CG 4.36Å; P491-M509 HydrophobicContact CG-SD 3.4Å; P491-M509 WeakPolarHBondContact CG-SD 3.37Å; P491-M509 PolarHBondContact O-N 3.43Å; Q493-M509 HydrophobicContact CB-CG 4.25Å; M509-G511 PolarHBondContact O-N 3.19Å; M509-P535 HydrophobicContact CB-CB 4.31Å; M509-P535 HydrophobicContact CB-CG 4.08Å; M509-P535 HydrophobicContact CG-CB 4.26Å; M509-P535 HydrophobicContact CG-CG 4.31Å; M509-P535 WeakPolarHBondContact O-CA 3.27Å; M509-P535 WeakPolarHBondContact O-CD 3.32Å; M509-P535 VanDerWaalsContact O-CG 3.32Å; M509-P535 WeakPolarHBondContact O-CG 3.18Å
510	S	93.3	Very high	93.5	Very high	53 Å²	53	29 Å²	29	37%	0.371	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.1	172.8	57.7	0	0	0	0	113.9	F508 Y512	F508-S510 PolarHBondContact O-N 3.47Å; S510-Y512 WeakPolarHBondContact OG-CD2 3.31Å; S510-Y512 WeakPolarHBondContact OG-CE2 3.31Å
511	G	93	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	86.1	12.3	-172.4	0	0	0	0	0	114.4	F508 M509 G532 G534	F508-G511 PolarHBondContact O-N 3.33Å; F508-G511 VanDerWaalsContact O-N 3.12Å; M509-G511 PolarHBondContact O-N 3.19Å; G511-G532 PolarHBondContact O-N 2.73Å; G511-G534 WeakPolarHBondContact CA-O 3.36Å
512	Y	93.6	Very high	93.6	Very high	93 Å²	93	30.5 Å²	30.5	37%	0.365	16%	0.157	S	C	.	.			trans	-86.2	140.5	174.2	-55.5	-22.1	0	0	0	111.2	F508 S510 P528 F529 T530 I536	F508-Y512 WeakPolarHBondContact CD2-O 3.49Å; F508-Y512 PolarHBondContact N-O 3.44Å; S510-Y512 WeakPolarHBondContact OG-CD2 3.31Å; S510-Y512 WeakPolarHBondContact OG-CE2 3.31Å; Y512-P528 HydrophobicContact CD2-CG 4.48Å; Y512-P528 HydrophobicContact CG-CB 4.24Å; Y512-P528 HydrophobicContact CG-CG 4.42Å; Y512-F529 WeakPolarHBondContact CA-O 3.49Å; Y512-T530 HydrophobicContact CD1-CG2 3.72Å; Y512-T530 HydrophobicContact CE1-CG2 3.73Å; Y512-I536 VanDerWaalsContact C-CD1 3.41Å; Y512-I536 WeakPolarHBondContact O-CD1 3.09Å
513	L	94.7	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.7	168	-170.2	85.9	0	0	0	109.4	A505 V506 F529 I536 I539 Y550 L560	A505-L513 HydrophobicContact CB-CD1 4.47Å; V506-L513 WeakPolarHBondContact O-CA 3.13Å; L513-F529 HydrophobicContact CB-CB 4.15Å; L513-F529 HydrophobicContact CB-CD2 4.42Å; L513-F529 HydrophobicContact CD2-CD2 4.23Å; L513-F529 PolarHBondContact N-O 3.22Å; L513-F529 PolarHBondContact O-N 3.24Å; L513-I536 HydrophobicContact CB-CD1 3.72Å; L513-I536 HydrophobicContact CD1-CD1 3.97Å; L513-I536 HydrophobicContact CG-CD1 4.49Å; L513-I539 HydrophobicContact CD1-CD1 3.51Å; L513-I539 HydrophobicContact CD1-CG1 3.95Å; L513-I539 HydrophobicContact CD1-CG2 4.43Å; L513-Y550 HydrophobicContact CB-CE1 4.36Å; L513-Y550 HydrophobicContact CD1-CD1 4.44Å; L513-Y550 HydrophobicContact CD2-CD1 3.82Å; L513-Y550 HydrophobicContact CD2-CE1 3.97Å; L513-L560 HydrophobicContact CD2-CD1 3.53Å
514	R	93.6	Very high	93.1	Very high	39 Å²	39	33.4 Å²	33.4	15%	0.147	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.4	170	-63.8	-72.7	-171.9	-178.3	-0.2	109.4	A505 V506 F508 L516 E523 P526 E527 P528	A505-R514 CarbonylContact C-O 3.6Å; A505-R514 WeakPolarHBondContact CA-O 3.28Å; V506-R514 PolarHBondContact N-O 3.46Å; V506-R514 PolarHBondContact O-N 2.74Å; F508-R514 HydrophobicContact CD2-CG 4.32Å; F508-R514 HydrophobicContact CE2-CB 4Å; F508-R514 HydrophobicContact CE2-CG 3.5Å; F508-R514 VanDerWaalsContact CE2-CG 3.5Å; F508-R514 HydrophobicContact CZ-CG 4.17Å; R514-L516 HydrophobicContact CB-CD2 4.19Å; R514-E523 IonicContact CZ-OE2 3.04Å; R514-E523 IonicContact NE-OE2 2.72Å; R514-E523 IonicContact NH1-OE2 3.92Å; R514-E523 PolarHBondContact NH1-OE2 3.34Å; R514-E523 IonicContact NH2-OE2 3.51Å; R514-P526 PolarHBondContact NH1-O 2.92Å; R514-E527 PolarHBondContact NH1-O 3.11Å; R514-P528 VanDerWaalsContact CZ-CD 3.42Å; R514-P528 VanDerWaalsContact CZ-CG 3.49Å; R514-P528 VanDerWaalsContact NH1-CA 3.29Å; R514-P528 VanDerWaalsContact NH2-CD 3.28Å; R514-P528 VanDerWaalsContact NH2-CG 3.27Å
515	V	93	Very high	92.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.8	168.3	-177.7	0	0	0	0	107.3	Y503 M524 F529 W572	Y503-V515 HydrophobicContact CD1-CG1 4.28Å; Y503-V515 HydrophobicContact CG-CG1 4.13Å; V515-M524 HydrophobicContact CG1-CG 4.44Å; V515-M524 WeakPolarHBondContact O-CB 3.29Å; V515-M524 PolarHBondContact O-N 3.05Å; V515-F529 HydrophobicContact CG2-CE2 4.31Å; V515-W572 HydrophobicContact CG2-CG 4.5Å
516	L	93.8	Very high	91.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	151.8	-177.7	-50.9	-177	0	0	0	110	I470 F486 Y503 L504 V506 R514 L521 N522 E523	I470-L516 HydrophobicContact CD1-CD1 3.72Å; F486-L516 HydrophobicContact CE2-CD1 4.31Å; F486-L516 HydrophobicContact CZ-CD1 4.09Å; F486-L516 HydrophobicContact CZ-CD2 4.25Å; Y503-L516 CarbonylContact C-O 3.59Å; Y503-L516 VanDerWaalsContact CA-O 3.25Å; Y503-L516 WeakPolarHBondContact CA-O 3.23Å; L504-L516 HydrophobicContact CB-CB 4.49Å; L504-L516 PolarHBondContact N-O 2.88Å; L504-L516 PolarHBondContact O-N 3.31Å; V506-L516 HydrophobicContact CG2-CD1 3.72Å; V506-L516 HydrophobicContact CG2-CG 4.09Å; R514-L516 HydrophobicContact CB-CD2 4.19Å; L516-L521 HydrophobicContact CD1-CB 4.47Å; L516-L521 HydrophobicContact CD1-CD2 4.27Å; L516-N522 CarbonylContact C-O 3.57Å; L516-N522 VanDerWaalsContact CA-O 3.3Å; L516-N522 WeakPolarHBondContact CA-O 3.39Å; L516-E523 HydrophobicContact CD2-CB 4.24Å; L516-E523 HydrophobicContact CD2-CG 3.38Å
517	D	92.7	Very high	90.6	Very high	40 Å²	40	48.3 Å²	48.3	21%	0.214	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.9	162.2	175.5	74.2	0	0	0	110.1	L519 T520 L521 N522	D517-L519 VanDerWaalsContact C-N 3.3Å; D517-L519 PolarHBondContact O-N 3.18Å; D517-L519 PolarHBondContact OD2-N 2.99Å; D517-T520 WeakPolarHBondContact CB-OG1 3.14Å; D517-T520 WeakPolarHBondContact OD2-CB 3.43Å; D517-T520 PolarHBondContact OD2-N 2.74Å; D517-T520 PolarHBondContact OD2-OG1 2.83Å; D517-L521 VanDerWaalsContact O-CA 3.24Å; D517-L521 WeakPolarHBondContact O-CA 3.48Å; D517-L521 PolarHBondContact O-N 3.21Å; D517-N522 PolarHBondContact N-O 3.09Å
518	S	92.7	Very high	90.1	Very high	7 Å²	7	49.8 Å²	49.8	5%	0.049	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-25	-171	61.1	0	0	0	0	114.8	G501 Q502	G501-S518 WeakPolarHBondContact O-CB 3.42Å; G501-S518 PolarHBondContact O-OG 2.79Å; Q502-S518 WeakPolarHBondContact O-CB 3.5Å; Q502-S518 PolarHBondContact O-N 3.14Å; Q502-S518 PolarHBondContact O-OG 2.93Å
519	L	90.1	Very high	89.8	Confident	87 Å²	87	50.5 Å²	50.5	46%	0.455	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-43.8	-176.1	-68.1	172.7	0	0	0	112.4	L458 T482 D517	L458-L519 HydrophobicContact CD1-CD2 4.42Å; T482-L519 VanDerWaalsContact CG2-O 3.23Å; T482-L519 WeakPolarHBondContact CG2-O 3.46Å; D517-L519 VanDerWaalsContact C-N 3.3Å; D517-L519 PolarHBondContact O-N 3.18Å; D517-L519 PolarHBondContact OD2-N 2.99Å
520	T	92	Very high	89.6	Confident	73 Å²	73	52 Å²	52	45%	0.448	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.3	-176.9	62.4	0	0	0	0	113	D517 N522	D517-T520 WeakPolarHBondContact CB-OG1 3.14Å; D517-T520 WeakPolarHBondContact OD2-CB 3.43Å; D517-T520 PolarHBondContact OD2-N 2.74Å; D517-T520 PolarHBondContact OD2-OG1 2.83Å; T520-N522 WeakPolarHBondContact CB-ND2 3.08Å; T520-N522 PolarHBondContact O-N 3.32Å; T520-N522 VanDerWaalsContact O-N 3.12Å; T520-N522 WeakPolarHBondContact OG1-CB 3.45Å; T520-N522 PolarHBondContact OG1-N 2.91Å; T520-N522 PolarHBondContact OG1-ND2 2.95Å
521	L	93.7	Very high	89.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.277	C	S	.	.			trans	55.5	19.5	-170.2	-58.1	177.1	0	0	0	113.7	I470 V472 T482 K484 L504 L516 D517	I470-L521 HydrophobicContact CB-CD1 4.41Å; I470-L521 HydrophobicContact CG2-CD1 4.2Å; I470-L521 HydrophobicContact CG2-CD2 4.33Å; V472-L521 HydrophobicContact CG2-CD1 4.38Å; V472-L521 HydrophobicContact CG2-CD2 4.16Å; T482-L521 HydrophobicContact CG2-CD1 3.7Å; T482-L521 HydrophobicContact CG2-CG 3.77Å; K484-L521 HydrophobicContact CB-CB 3.92Å; K484-L521 HydrophobicContact CB-CD1 3.69Å; K484-L521 HydrophobicContact CB-CG 4.48Å; K484-L521 HydrophobicContact CD-CB 3.97Å; K484-L521 WeakPolarHBondContact CD-O 3.39Å; K484-L521 PolarHBondContact NZ-O 3.09Å; L504-L521 HydrophobicContact CD2-CD2 3.98Å; L516-L521 HydrophobicContact CD1-CB 4.47Å; L516-L521 HydrophobicContact CD1-CD2 4.27Å; D517-L521 VanDerWaalsContact O-CA 3.24Å; D517-L521 WeakPolarHBondContact O-CA 3.48Å; D517-L521 PolarHBondContact O-N 3.21Å
522	N	91.9	Very high	89.3	Confident	101 Å²	101	54.3 Å²	54.3	54%	0.54	28%	0.284	S	S	.	.			trans	-70.8	143.1	173.2	-73.2	-31.5	0	0	0	110.4	L516 D517 T520 M524	L516-N522 CarbonylContact C-O 3.57Å; L516-N522 VanDerWaalsContact CA-O 3.3Å; L516-N522 WeakPolarHBondContact CA-O 3.39Å; D517-N522 PolarHBondContact N-O 3.09Å; T520-N522 WeakPolarHBondContact CB-ND2 3.08Å; T520-N522 PolarHBondContact O-N 3.32Å; T520-N522 VanDerWaalsContact O-N 3.12Å; T520-N522 WeakPolarHBondContact OG1-CB 3.45Å; T520-N522 PolarHBondContact OG1-N 2.91Å; T520-N522 PolarHBondContact OG1-ND2 2.95Å; N522-M524 PolarHBondContact O-N 3.16Å
523	E	89.2	Confident	89.1	Confident	70 Å²	70	57.9 Å²	57.9	33%	0.327	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-76.1	125.6	179.9	-76.4	163.5	-119	0	0	110.4	K484 F486 R514 L516 T525	K484-E523 IonicContact NZ-OE1 3.46Å; K484-E523 PolarHBondContact NZ-OE1 3.26Å; F486-E523 WeakPolarHBondContact CE1-OE1 3.23Å; R514-E523 IonicContact CZ-OE2 3.04Å; R514-E523 IonicContact NE-OE2 2.72Å; R514-E523 IonicContact NH1-OE2 3.92Å; R514-E523 PolarHBondContact NH1-OE2 3.34Å; R514-E523 IonicContact NH2-OE2 3.51Å; L516-E523 HydrophobicContact CD2-CB 4.24Å; L516-E523 HydrophobicContact CD2-CG 3.38Å; E523-T525 VanDerWaalsContact C-N 3.31Å
524	M	82.8	Confident	89.1	Confident	83 Å²	83	58.3 Å²	58.3	41%	0.409	31%	0.306	S	S	.	.	S	Bend	trans	-68.4	-33.8	177	-75.5	-66.5	-66.1	0	0	112.2	Y503 V515 N522	Y503-M524 HydrophobicContact CD1-CG 3.92Å; Y503-M524 HydrophobicContact CD1-SD 4.17Å; Y503-M524 HydrophobicContact CE1-CE 3.62Å; Y503-M524 HydrophobicContact CE1-CG 3.88Å; Y503-M524 HydrophobicContact CE1-SD 3.55Å; Y503-M524 VanDerWaalsContact CE1-SD 3.55Å; V515-M524 HydrophobicContact CG1-CG 4.44Å; V515-M524 WeakPolarHBondContact O-CB 3.29Å; V515-M524 PolarHBondContact O-N 3.05Å; N522-M524 PolarHBondContact O-N 3.16Å
525	T	76.8	Confident	89.2	Confident	37 Å²	37	58.4 Å²	58.4	23%	0.227	31%	0.312	C	S	.	.	S	Bend	trans	-124.3	132.3	177.3	58	0	0	0	0	110	E523 E527	E523-T525 VanDerWaalsContact C-N 3.31Å; T525-E527 VanDerWaalsContact C-N 3.3Å; T525-E527 PolarHBondContact O-N 2.66Å; T525-E527 PolarHBondContact OG1-O 2.93Å; T525-E527 VanDerWaalsContact OG1-O 3.06Å
526	P	74.2	Confident	89.4	Confident	121 Å²	121	58.3 Å²	58.3	79%	0.786	31%	0.311	S	S	*	.	S	Bend	trans	-64.6	-36.2	179.6	23.1	-30.9	0	0	0	111.9	R514	R514-P526 PolarHBondContact NH1-O 2.92Å
527	E	82.8	Confident	89.5	Confident	155 Å²	155	59.7 Å²	59.7	72%	0.724	32%	0.319	S	S	*	.	S	Bend	trans	-93.1	139.9	176.8	-66.5	-169.8	176.6	0	0	112.3	R514 T525	R514-E527 PolarHBondContact NH1-O 3.11Å; T525-E527 VanDerWaalsContact C-N 3.3Å; T525-E527 PolarHBondContact O-N 2.66Å; T525-E527 PolarHBondContact OG1-O 2.93Å; T525-E527 VanDerWaalsContact OG1-O 3.06Å
528	P	86.9	Confident	89.6	Confident	31 Å²	31	59.3 Å²	59.3	20%	0.201	32%	0.316	C	S	.	.			trans	-76.8	155.8	179	19.7	-17.3	0	0	0	109.7	Y512 R514 T530	Y512-P528 HydrophobicContact CD2-CG 4.48Å; Y512-P528 HydrophobicContact CG-CB 4.24Å; Y512-P528 HydrophobicContact CG-CG 4.42Å; R514-P528 VanDerWaalsContact CZ-CD 3.42Å; R514-P528 VanDerWaalsContact CZ-CG 3.49Å; R514-P528 VanDerWaalsContact NH1-CA 3.29Å; R514-P528 VanDerWaalsContact NH2-CD 3.28Å; R514-P528 VanDerWaalsContact NH2-CG 3.27Å; P528-T530 HydrophobicContact CB-CG2 4.25Å; P528-T530 HydrophobicContact CG-CG2 3.83Å; P528-T530 PolarHBondContact O-N 3.1Å
529	F	89.5	Confident	89.8	Confident	20 Å²	20	59.7 Å²	59.7	9%	0.088	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-75.1	112.1	162.8	-58.2	-69	0	0	0	108.9	Y512 L513 V515 Y531 L560 W572	Y512-F529 WeakPolarHBondContact CA-O 3.49Å; L513-F529 HydrophobicContact CB-CB 4.15Å; L513-F529 HydrophobicContact CB-CD2 4.42Å; L513-F529 HydrophobicContact CD2-CD2 4.23Å; L513-F529 PolarHBondContact N-O 3.22Å; L513-F529 PolarHBondContact O-N 3.24Å; V515-F529 HydrophobicContact CG2-CE2 4.31Å; F529-Y531 HydrophobicContact CB-CD2 4.02Å; F529-Y531 HydrophobicContact CB-CE2 4.1Å; F529-Y531 AromaticContact CD1-CE2 3.87Å; F529-Y531 HydrophobicContact CD1-CE2 3.87Å; F529-Y531 HydrophobicContact CG-CE2 4.46Å; F529-L560 HydrophobicContact CD2-CD1 4.08Å; F529-L560 HydrophobicContact CE2-CD1 4.29Å; F529-L560 HydrophobicContact CG-CD1 4.3Å; F529-W572 HydrophobicContact CE1-CB 4.47Å; F529-W572 WeakPolarHBondContact CE1-O 3.11Å; F529-W572 HydrophobicContact CE2-CB 4.05Å; F529-W572 HydrophobicContact CZ-CB 3.58Å; F529-W572 WeakPolarHBondContact CZ-O 3.33Å
530	T	91.6	Very high	90.1	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.491	30%	0.3	S	S	.	.			trans	-102.8	26	-172.1	54.7	0	0	0	0	113.5	Y512 P528	Y512-T530 HydrophobicContact CD1-CG2 3.72Å; Y512-T530 HydrophobicContact CE1-CG2 3.73Å; P528-T530 HydrophobicContact CB-CG2 4.25Å; P528-T530 HydrophobicContact CG-CG2 3.83Å; P528-T530 PolarHBondContact O-N 3.1Å
531	Y	90.6	Very high	90.3	Very high	88 Å²	88	52.8 Å²	52.8	35%	0.345	28%	0.278	S	S	.	.			trans	-84.2	-13.5	-172.8	-49.5	-74	0	0	0	114.5	F529 Y550 Y574 R577	F529-Y531 HydrophobicContact CB-CD2 4.02Å; F529-Y531 HydrophobicContact CB-CE2 4.1Å; F529-Y531 AromaticContact CD1-CE2 3.87Å; F529-Y531 HydrophobicContact CD1-CE2 3.87Å; F529-Y531 HydrophobicContact CG-CE2 4.46Å; Y531-Y550 WeakPolarHBondContact CB-OH 3.49Å; Y531-Y574 AromaticContact CD1-CD2 3.81Å; Y531-Y574 HydrophobicContact CD1-CD2 3.81Å; Y531-Y574 AromaticContact CD1-CE2 3.78Å; Y531-Y574 HydrophobicContact CD1-CE2 3.78Å; Y531-Y574 HydrophobicContact CD1-CG 4.28Å; Y531-Y574 AromaticContact CD2-CD2 3.34Å; Y531-Y574 HydrophobicContact CD2-CD2 3.34Å; Y531-Y574 AromaticContact CD2-CE2 3.9Å; Y531-Y574 HydrophobicContact CD2-CE2 3.9Å; Y531-Y574 HydrophobicContact CD2-CG 4.07Å; Y531-Y574 HydrophobicContact CE1-CD1 4.29Å; Y531-Y574 AromaticContact CE1-CD2 3.9Å; Y531-Y574 HydrophobicContact CE1-CD2 3.9Å; Y531-Y574 HydrophobicContact CE1-CE2 4.23Å; Y531-Y574 AromaticContact CE1-CG 3.9Å; Y531-Y574 HydrophobicContact CE1-CG 3.9Å; Y531-Y574 AromaticContact CE2-CD2 3.44Å; Y531-Y574 HydrophobicContact CE2-CD2 3.44Å; Y531-Y574 VanDerWaalsContact CE2-CD2 3.44Å; Y531-Y574 HydrophobicContact CE2-CE2 4.34Å; Y531-Y574 AromaticContact CE2-CG 3.68Å; Y531-Y574 HydrophobicContact CE2-CG 3.68Å; Y531-Y574 AromaticContact CG-CD2 3.53Å; Y531-Y574 HydrophobicContact CG-CD2 3.53Å; Y531-Y574 AromaticContact CG-CE2 3.59Å; Y531-Y574 HydrophobicContact CG-CE2 3.59Å; Y531-Y574 HydrophobicContact CG-CG 4.35Å; Y531-Y574 AromaticContact CZ-CD2 3.73Å; Y531-Y574 AromaticContact CZ-CG 3.59Å; Y531-Y574 WeakPolarHBondContact OH-CB 3.26Å; Y531-R577 VanDerWaalsContact O-CD 3.24Å; Y531-R577 WeakPolarHBondContact O-CD 3.29Å; Y531-R577 VanDerWaalsContact O-CZ 3.28Å; Y531-R577 PolarHBondContact O-NE 2.82Å; Y531-R577 PolarHBondContact O-NH1 2.91Å
532	G	88.8	Confident	90.2	Very high	14 Å²	14	52.7 Å²	52.7	14%	0.144	28%	0.278	C	S	.	.			trans	-70.1	149.5	175.6	0	0	0	0	0	112.5	G511 D552	G511-G532 PolarHBondContact O-N 2.73Å; G532-D552 WeakPolarHBondContact CA-OD2 2.95Å
533	K	90.5	Very high	89.9	Confident	168 Å²	168	56.6 Å²	56.6	73%	0.73	29%	0.287	S	S	*	.	S	Bend	trans	-104.6	9.2	171.1	-79.6	170.6	-176.1	-171	0	113.7	D552 A554 R577	K533-D552 PolarHBondContact N-OD2 2.84Å; K533-A554 HydrophobicContact CB-CB 3.87Å; K533-R577 VanDerWaalsContact CG-NH1 3.29Å; K533-R577 VanDerWaalsContact CG-NH2 3.33Å
534	G	93.7	Very high	89.7	Confident	9 Å²	9	56 Å²	56	9%	0.093	29%	0.289	C	S	.	.	S	Bend	trans	-176.9	-176.5	178.5	0	0	0	0	0	110.5	G511 I536	G511-G534 WeakPolarHBondContact CA-O 3.36Å; G534-I536 PolarHBondContact O-N 2.9Å
535	P	95.9	Very high	89.8	Confident	40 Å²	40	52.5 Å²	52.5	26%	0.26	27%	0.272	S	S	.	.			trans	-46.1	131.2	-179.3	-30.2	28.5	0	0	0	113.9	M509 T537 D552 S553	M509-P535 HydrophobicContact CB-CB 4.31Å; M509-P535 HydrophobicContact CB-CG 4.08Å; M509-P535 HydrophobicContact CG-CB 4.26Å; M509-P535 HydrophobicContact CG-CG 4.31Å; M509-P535 WeakPolarHBondContact O-CA 3.27Å; M509-P535 WeakPolarHBondContact O-CD 3.32Å; M509-P535 VanDerWaalsContact O-CG 3.32Å; M509-P535 WeakPolarHBondContact O-CG 3.18Å; P535-T537 PolarHBondContact O-N 2.88Å; P535-D552 CarbonylContact O-C 3.57Å; P535-D552 VanDerWaalsContact O-CA 3.32Å; P535-D552 WeakPolarHBondContact O-CA 3.43Å; P535-S553 VanDerWaalsContact CD-OG 3.24Å; P535-S553 WeakPolarHBondContact CD-OG 3.48Å; P535-S553 PolarHBondContact O-N 2.91Å
536	I	97	Very high	90.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	107.8	176	-58.5	-168.7	0	0	0	109	Q493 S494 F508 Y512 L513 G534 I539 Y550 A551	Q493-I536 WeakPolarHBondContact CB-O 3.48Å; Q493-I536 WeakPolarHBondContact CG-O 3.21Å; S494-I536 PolarHBondContact OG-O 3.27Å; F508-I536 PolarHBondContact O-N 2.85Å; Y512-I536 VanDerWaalsContact C-CD1 3.41Å; Y512-I536 WeakPolarHBondContact O-CD1 3.09Å; L513-I536 HydrophobicContact CB-CD1 3.72Å; L513-I536 HydrophobicContact CD1-CD1 3.97Å; L513-I536 HydrophobicContact CG-CD1 4.49Å; G534-I536 PolarHBondContact O-N 2.9Å; I536-I539 HydrophobicContact CG2-CD1 4.11Å; I536-I539 HydrophobicContact CG2-CG1 3.7Å; I536-Y550 HydrophobicContact CD1-CD2 3.78Å; I536-Y550 HydrophobicContact CD1-CE2 3.81Å; I536-Y550 HydrophobicContact CD1-CG 4.41Å; I536-Y550 HydrophobicContact CG1-CD2 4.14Å; I536-Y550 HydrophobicContact CG1-CE2 4.32Å; I536-Y550 HydrophobicContact CG2-CD2 3.96Å; I536-Y550 HydrophobicContact CG2-CG 4.27Å; I536-A551 CarbonylContact C-O 3.58Å; I536-A551 WeakPolarHBondContact CA-O 3.4Å
537	T	95.4	Very high	91.3	Very high	28 Å²	28	50.4 Å²	50.4	17%	0.172	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-36.7	-171.7	54.1	0	0	0	0	113	P535 A551	P535-T537 PolarHBondContact O-N 2.88Å; T537-A551 PolarHBondContact N-O 3.12Å; T537-A551 PolarHBondContact OG1-O 2.94Å
538	H	96.7	Very high	91.8	Very high	32 Å²	32	43 Å²	43	15%	0.148	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.5	-176.7	-54.4	81	0	0	0	110	Y550 A551 I585 T586 L588	H538-Y550 CarbonylContact O-C 3.56Å; H538-Y550 WeakPolarHBondContact O-CA 3.37Å; H538-Y550 VanDerWaalsContact O-CB 3.31Å; H538-Y550 WeakPolarHBondContact O-CB 3.32Å; H538-A551 HydrophobicContact CB-CB 4.26Å; H538-A551 PolarHBondContact O-N 3.45Å; H538-I585 PolarHBondContact CE1-O 3.2Å; H538-T586 PolarHBondContact NE2-O 2.65Å; H538-T586 VanDerWaalsContact NE2-O 3.08Å; H538-L588 HydrophobicContact CB-CB 3.92Å
539	I	96.7	Very high	92.3	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.2	174.4	-51.6	163.3	0	0	0	106.5	S494 V496 A505 L513 I536 A549	S494-I539 WeakPolarHBondContact OG-CD1 3.43Å; V496-I539 HydrophobicContact CG1-CB 3.61Å; V496-I539 HydrophobicContact CG1-CG2 3.44Å; V496-I539 VanDerWaalsContact CG1-CG2 3.44Å; A505-I539 HydrophobicContact CB-CD1 4.42Å; A505-I539 HydrophobicContact CB-CG2 3.95Å; L513-I539 HydrophobicContact CD1-CD1 3.51Å; L513-I539 HydrophobicContact CD1-CG1 3.95Å; L513-I539 HydrophobicContact CD1-CG2 4.43Å; I536-I539 HydrophobicContact CG2-CD1 4.11Å; I536-I539 HydrophobicContact CG2-CG1 3.7Å; I539-A549 WeakPolarHBondContact CA-O 3.2Å
540	D	96.1	Very high	92.6	Very high	14 Å²	14	40.6 Å²	40.6	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.9	168.9	-168.3	24.1	0	0	0	110.7	K499 C548 A549 L588 F590	K499-D540 IonicContact NZ-OD1 2.74Å; K499-D540 PolarHBondContact NZ-OD1 2.91Å; D540-C548 WeakPolarHBondContact O-CA 3.49Å; D540-A549 PolarHBondContact N-O 3.45Å; D540-A549 PolarHBondContact O-N 2.63Å; D540-L588 HydrophobicContact CB-CD2 3.48Å; D540-L588 VanDerWaalsContact CB-CD2 3.48Å; D540-F590 HydrophobicContact CB-CD2 4.1Å; D540-F590 WeakPolarHBondContact O-CE2 3.16Å; D540-F590 PolarHBondContact OD2-N 2.82Å
541	F	94.8	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.4	176.5	-73	-86.4	0	0	0	110.4	V496 D498 K499 A505 C548 W572 F590	V496-F541 HydrophobicContact CG1-CD2 3.81Å; V496-F541 HydrophobicContact CG1-CE2 3.69Å; D498-F541 VanDerWaalsContact CA-CD2 3.5Å; D498-F541 HydrophobicContact CB-CD1 4.08Å; D498-F541 HydrophobicContact CB-CD2 3.99Å; D498-F541 HydrophobicContact CB-CE1 4.08Å; D498-F541 HydrophobicContact CB-CE2 3.97Å; D498-F541 HydrophobicContact CB-CG 4.02Å; D498-F541 HydrophobicContact CB-CZ 4.01Å; K499-F541 WeakPolarHBondContact CE-O 3.48Å; K499-F541 HydrophobicContact CG-CB 4.21Å; A505-F541 HydrophobicContact CB-CE2 3.65Å; A505-F541 HydrophobicContact CB-CZ 3.61Å; F541-C548 HydrophobicContact CD1-CB 3.61Å; F541-C548 HydrophobicContact CE1-CB 3.48Å; F541-C548 VanDerWaalsContact CE1-CB 3.48Å; F541-C548 VanDerWaalsContact CE1-SG 3.59Å; F541-C548 HydrophobicContact CZ-CB 4.32Å; F541-W572 AromaticContact CD1-CH2 3.79Å; F541-W572 HydrophobicContact CD1-CH2 3.79Å; F541-W572 HydrophobicContact CD1-CZ2 4Å; F541-W572 AromaticContact CE1-CH2 3.65Å; F541-W572 HydrophobicContact CE1-CH2 3.65Å; F541-W572 AromaticContact CE1-CZ2 3.46Å; F541-W572 HydrophobicContact CE1-CZ2 3.46Å; F541-W572 VanDerWaalsContact CE1-CZ2 3.46Å; F541-F590 VanDerWaalsContact C-CD2 3.42Å
542	S	92.6	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.			trans	-62.7	150.2	169.6	60.4	0	0	0	0	111.6	K499 C544 N545 N546 Y547	K499-S542 WeakPolarHBondContact CG-O 3.34Å; S542-C544 VanDerWaalsContact C-N 3.26Å; S542-C544 PolarHBondContact O-N 2.93Å; S542-C544 PolarHBondContact OG-SG 2.87Å; S542-N545 WeakPolarHBondContact O-CA 3.48Å; S542-N545 PolarHBondContact O-N 3.39Å; S542-N545 PolarHBondContact OG-N 3.02Å; S542-N546 PolarHBondContact OG-N 2.88Å; S542-Y547 PolarHBondContact N-O 2.84Å; S542-Y547 PolarHBondContact OG-N 2.91Å; S542-Y547 PolarHBondContact OG-O 2.84Å; S542-Y547 VanDerWaalsContact OG-O 3.08Å
543	Y	86.6	Confident	93.5	Very high	183 Å²	183	34.3 Å²	34.3	72%	0.718	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-36.3	177.7	-171.3	-96.4	0	0	0	113.1	N545	Y543-N545 PolarHBondContact O-N 2.87Å
544	C	84	Confident	93.7	Very high	56 Å²	56	27.5 Å²	27.5	38%	0.378	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-2.9	174.9	60.7	0	0	0	0	114	S542 N546	S542-C544 VanDerWaalsContact C-N 3.26Å; S542-C544 PolarHBondContact O-N 2.93Å; S542-C544 PolarHBondContact OG-SG 2.87Å; C544-N546 PolarHBondContact O-N 3Å; C544-N546 VanDerWaalsContact O-N 3.09Å
545	N	85.6	Confident	93.8	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.053	15%	0.152	C	C	.	.	S	Bend	trans	57.1	20.4	-179.5	-152.9	22.7	0	0	0	115.3	D498 T500 S542 Y543 R562	D498-N545 PolarHBondContact OD2-ND2 2.82Å; D498-N545 PolarHBondContact OD2-OD1 3Å; T500-N545 HydrophobicContact CG2-CB 4.46Å; T500-N545 VanDerWaalsContact CG2-ND2 3.33Å; T500-N545 WeakPolarHBondContact CG2-ND2 2.91Å; S542-N545 WeakPolarHBondContact O-CA 3.48Å; S542-N545 PolarHBondContact O-N 3.39Å; S542-N545 PolarHBondContact OG-N 3.02Å; Y543-N545 PolarHBondContact O-N 2.87Å; N545-R562 PolarHBondContact ND2-NH1 3.43Å; N545-R562 WeakPolarHBondContact O-CD 3.5Å
546	N	88.4	Confident	93.8	Very high	58 Å²	58	28.1 Å²	28.1	31%	0.31	14%	0.143	S	C	.	.	S	Bend	trans	-91.3	-27.3	177.3	-67.8	-32.8	0	0	0	111.9	S542 C544 L561 R562	S542-N546 PolarHBondContact OG-N 2.88Å; C544-N546 PolarHBondContact O-N 3Å; C544-N546 VanDerWaalsContact O-N 3.09Å; N546-L561 CarbonylContact O-C 3.49Å; N546-L561 WeakPolarHBondContact O-CA 3.21Å; N546-R562 PolarHBondContact O-N 2.88Å
547	Y	92.5	Very high	93.8	Very high	56 Å²	56	28.1 Å²	28.1	22%	0.22	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.5	-178.7	-54.4	-79.6	0	0	0	111.6	S542 L559 L560 L561 L615	S542-Y547 PolarHBondContact N-O 2.84Å; S542-Y547 PolarHBondContact OG-N 2.91Å; S542-Y547 PolarHBondContact OG-O 2.84Å; S542-Y547 VanDerWaalsContact OG-O 3.08Å; Y547-L559 HydrophobicContact CD1-CD1 4.07Å; Y547-L559 HydrophobicContact CD1-CD2 4.36Å; Y547-L559 HydrophobicContact CD1-CG 4.44Å; Y547-L559 HydrophobicContact CG-CD1 4.44Å; Y547-L560 WeakPolarHBondContact CA-O 3.38Å; Y547-L561 HydrophobicContact CD1-CD1 3.81Å; Y547-L561 HydrophobicContact CE1-CD1 3.45Å; Y547-L561 VanDerWaalsContact CE1-CD1 3.45Å; Y547-L615 HydrophobicContact CD2-CD1 4.5Å
548	C	94.5	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.2	166.6	176.7	0	0	0	0	107.2	D540 F541 L560 W572	D540-C548 WeakPolarHBondContact O-CA 3.49Å; F541-C548 HydrophobicContact CD1-CB 3.61Å; F541-C548 HydrophobicContact CE1-CB 3.48Å; F541-C548 VanDerWaalsContact CE1-CB 3.48Å; F541-C548 VanDerWaalsContact CE1-SG 3.59Å; F541-C548 HydrophobicContact CZ-CB 4.32Å; C548-L560 HydrophobicContact CB-CB 4.26Å; C548-L560 PolarHBondContact N-O 3.45Å; C548-L560 PolarHBondContact O-N 3.35Å; C548-W572 HydrophobicContact CB-CE3 3.96Å; C548-W572 HydrophobicContact CB-CH2 3.78Å; C548-W572 HydrophobicContact CB-CZ2 4.48Å; C548-W572 HydrophobicContact CB-CZ3 3.48Å; C548-W572 VanDerWaalsContact CB-CZ3 3.48Å
549	A	96.6	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.2	176.2	0	0	0	0	0	110	I539 D540 T558 L559 L588 F590 L601	I539-A549 WeakPolarHBondContact CA-O 3.2Å; D540-A549 PolarHBondContact N-O 3.45Å; D540-A549 PolarHBondContact O-N 2.63Å; A549-T558 CarbonylContact C-O 3.51Å; A549-T558 WeakPolarHBondContact CA-O 3.43Å; A549-L559 HydrophobicContact CB-CD1 4.15Å; A549-L588 HydrophobicContact CB-CD1 4.17Å; A549-L588 HydrophobicContact CB-CD2 4.17Å; A549-F590 HydrophobicContact CB-CE2 3.56Å; A549-F590 HydrophobicContact CB-CZ 3.64Å; A549-L601 HydrophobicContact CB-CD1 3.95Å; A549-L601 HydrophobicContact CB-CD2 3.89Å
550	Y	97.2	Very high	93.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.1	177	68.1	-93.3	0	0	0	111.7	L513 Y531 I536 H538 T557 T558 L560	L513-Y550 HydrophobicContact CB-CE1 4.36Å; L513-Y550 HydrophobicContact CD1-CD1 4.44Å; L513-Y550 HydrophobicContact CD2-CD1 3.82Å; L513-Y550 HydrophobicContact CD2-CE1 3.97Å; Y531-Y550 WeakPolarHBondContact CB-OH 3.49Å; I536-Y550 HydrophobicContact CD1-CD2 3.78Å; I536-Y550 HydrophobicContact CD1-CE2 3.81Å; I536-Y550 HydrophobicContact CD1-CG 4.41Å; I536-Y550 HydrophobicContact CG1-CD2 4.14Å; I536-Y550 HydrophobicContact CG1-CE2 4.32Å; I536-Y550 HydrophobicContact CG2-CD2 3.96Å; I536-Y550 HydrophobicContact CG2-CG 4.27Å; H538-Y550 CarbonylContact O-C 3.56Å; H538-Y550 WeakPolarHBondContact O-CA 3.37Å; H538-Y550 VanDerWaalsContact O-CB 3.31Å; H538-Y550 WeakPolarHBondContact O-CB 3.32Å; Y550-T557 WeakPolarHBondContact O-CA 3.49Å; Y550-T558 HydrophobicContact CD1-CG2 4.31Å; Y550-T558 VanDerWaalsContact CE1-CB 3.5Å; Y550-T558 HydrophobicContact CE1-CG2 3.48Å; Y550-T558 VanDerWaalsContact CE1-CG2 3.48Å; Y550-T558 HydrophobicContact CE2-CG2 4.36Å; Y550-T558 PolarHBondContact N-O 3.06Å; Y550-T558 PolarHBondContact O-N 3.29Å; Y550-L560 HydrophobicContact CE1-CD1 4.24Å; Y550-L560 HydrophobicContact CE1-CD2 4.5Å; Y550-L560 HydrophobicContact CE1-CG 4.3Å
551	A	97.3	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.5	176.5	0	0	0	0	0	110.6	I536 T537 H538 T556 I585 L588	I536-A551 CarbonylContact C-O 3.58Å; I536-A551 WeakPolarHBondContact CA-O 3.4Å; T537-A551 PolarHBondContact N-O 3.12Å; T537-A551 PolarHBondContact OG1-O 2.94Å; H538-A551 HydrophobicContact CB-CB 4.26Å; H538-A551 PolarHBondContact O-N 3.45Å; A551-T556 VanDerWaalsContact CA-O 3.29Å; A551-T556 WeakPolarHBondContact CA-O 3.17Å; A551-I585 HydrophobicContact CB-CB 4.2Å; A551-I585 HydrophobicContact CB-CD1 3.79Å; A551-I585 HydrophobicContact CB-CG2 3.87Å; A551-L588 HydrophobicContact CB-CD1 4.02Å
552	D	96.4	Very high	93	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	165.6	175	69.8	9.8	0	0	0	113.2	G532 K533 P535 A554 F555 T556 R577	G532-D552 WeakPolarHBondContact CA-OD2 2.95Å; K533-D552 PolarHBondContact N-OD2 2.84Å; P535-D552 CarbonylContact O-C 3.57Å; P535-D552 VanDerWaalsContact O-CA 3.32Å; P535-D552 WeakPolarHBondContact O-CA 3.43Å; D552-A554 PolarHBondContact O-N 3.35Å; D552-A554 VanDerWaalsContact O-N 3.12Å; D552-A554 VanDerWaalsContact OD1-C 3.28Å; D552-A554 WeakPolarHBondContact OD1-CA 3.18Å; D552-A554 WeakPolarHBondContact OD1-CB 3.26Å; D552-A554 PolarHBondContact OD1-N 2.74Å; D552-A554 VanDerWaalsContact OD1-N 3.16Å; D552-F555 PolarHBondContact O-N 3.06Å; D552-F555 PolarHBondContact OD1-N 3.13Å; D552-T556 PolarHBondContact N-O 3.07Å; D552-T556 WeakPolarHBondContact OD1-CB 3.26Å; D552-T556 PolarHBondContact OD1-N 3.25Å; D552-T556 PolarHBondContact OD1-OG1 2.77Å; D552-T556 PolarHBondContact OD2-OG1 2.67Å; D552-R577 IonicContact OD2-CZ 2.77Å; D552-R577 IonicContact OD2-NE 2.96Å; D552-R577 IonicContact OD2-NH2 2.94Å; D552-R577 PolarHBondContact OD2-NH2 3Å
553	S	95.5	Very high	92.3	Very high	50 Å²	50	29.6 Å²	29.6	35%	0.35	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.9	175.3	71.2	0	0	0	0	113.8	P535 F555	P535-S553 VanDerWaalsContact CD-OG 3.24Å; P535-S553 WeakPolarHBondContact CD-OG 3.48Å; P535-S553 PolarHBondContact O-N 2.91Å; S553-F555 VanDerWaalsContact O-CD1 3.25Å; S553-F555 WeakPolarHBondContact O-CD1 3.42Å; S553-F555 WeakPolarHBondContact O-CE1 3.26Å; S553-F555 PolarHBondContact O-N 2.75Å
554	A	95.1	Very high	91.4	Very high	25 Å²	25	26.4 Å²	26.4	21%	0.207	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	17.5	171.3	0	0	0	0	0	112.5	K533 D552 T556 R579	K533-A554 HydrophobicContact CB-CB 3.87Å; D552-A554 PolarHBondContact O-N 3.35Å; D552-A554 VanDerWaalsContact O-N 3.12Å; D552-A554 VanDerWaalsContact OD1-C 3.28Å; D552-A554 WeakPolarHBondContact OD1-CA 3.18Å; D552-A554 WeakPolarHBondContact OD1-CB 3.26Å; D552-A554 PolarHBondContact OD1-N 2.74Å; D552-A554 VanDerWaalsContact OD1-N 3.16Å; A554-T556 VanDerWaalsContact O-CG2 3.3Å; A554-T556 WeakPolarHBondContact O-CG2 3.17Å; A554-T556 PolarHBondContact O-N 3.05Å; A554-R579 PolarHBondContact O-NH1 3.39Å
555	F	95.2	Very high	90.3	Very high	51 Å²	51	26.1 Å²	26.1	22%	0.224	15%	0.145	C	C	.	.	S	Bend	trans	61.6	27.9	173.6	-35	-32.4	0	0	0	113.2	D552 S553 R579 N582 R583 R584	D552-F555 PolarHBondContact O-N 3.06Å; D552-F555 PolarHBondContact OD1-N 3.13Å; S553-F555 VanDerWaalsContact O-CD1 3.25Å; S553-F555 WeakPolarHBondContact O-CD1 3.42Å; S553-F555 WeakPolarHBondContact O-CE1 3.26Å; S553-F555 PolarHBondContact O-N 2.75Å; F555-R579 VanDerWaalsContact CD2-CZ 3.46Å; F555-N582 VanDerWaalsContact CD2-C 3.48Å; F555-N582 WeakPolarHBondContact CD2-O 3.29Å; F555-N582 VanDerWaalsContact CE2-O 3.25Å; F555-N582 WeakPolarHBondContact CE2-O 3.37Å; F555-R583 WeakPolarHBondContact CB-O 3.27Å; F555-R583 VanDerWaalsContact CD1-C 3.46Å; F555-R583 VanDerWaalsContact CD1-O 3.29Å; F555-R583 WeakPolarHBondContact CD1-O 3.17Å; F555-R583 VanDerWaalsContact CG-C 3.48Å; F555-R583 WeakPolarHBondContact CG-O 3.09Å; F555-R584 HydrophobicContact CE1-CB 4.19Å
556	T	95.6	Very high	88.9	Confident	11 Å²	11	34.6 Å²	34.6	7%	0.067	18%	0.184	C	C	.	.			trans	-110.2	147.3	179.4	72.6	0	0	0	0	111.2	A551 D552 A554 R577 V578 R579	A551-T556 VanDerWaalsContact CA-O 3.29Å; A551-T556 WeakPolarHBondContact CA-O 3.17Å; D552-T556 PolarHBondContact N-O 3.07Å; D552-T556 WeakPolarHBondContact OD1-CB 3.26Å; D552-T556 PolarHBondContact OD1-N 3.25Å; D552-T556 PolarHBondContact OD1-OG1 2.77Å; D552-T556 PolarHBondContact OD2-OG1 2.67Å; A554-T556 VanDerWaalsContact O-CG2 3.3Å; A554-T556 WeakPolarHBondContact O-CG2 3.17Å; A554-T556 PolarHBondContact O-N 3.05Å; T556-R577 PolarHBondContact OG1-NE 3.22Å; T556-R577 PolarHBondContact OG1-NH2 3.05Å; T556-V578 CarbonylContact C-O 3.55Å; T556-V578 WeakPolarHBondContact CA-O 3.26Å; T556-R579 HydrophobicContact CG2-CB 3.92Å; T556-R579 HydrophobicContact CG2-CG 4.29Å
557	T	96.4	Very high	87.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.1	176	-52.4	0	0	0	0	108	Y550 R577 V578 L588 L601 T603 Y613	Y550-T557 WeakPolarHBondContact O-CA 3.49Å; T557-R577 WeakPolarHBondContact O-CA 3.26Å; T557-V578 PolarHBondContact N-O 3.27Å; T557-V578 PolarHBondContact O-N 3.16Å; T557-L588 HydrophobicContact CG2-CD1 4.11Å; T557-L601 HydrophobicContact CG2-CD2 4.25Å; T557-T603 HydrophobicContact CG2-CG2 4.07Å; T557-T603 WeakPolarHBondContact OG1-CG2 3.32Å; T557-Y613 HydrophobicContact CG2-CE2 4.46Å; T557-Y613 PolarHBondContact OG1-OH 3Å
558	T	96.5	Very high	85.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.3	176	-57.4	0	0	0	0	109.6	A549 Y550 L560 Y574 A576 R577	A549-T558 CarbonylContact C-O 3.51Å; A549-T558 WeakPolarHBondContact CA-O 3.43Å; Y550-T558 HydrophobicContact CD1-CG2 4.31Å; Y550-T558 VanDerWaalsContact CE1-CB 3.5Å; Y550-T558 HydrophobicContact CE1-CG2 3.48Å; Y550-T558 VanDerWaalsContact CE1-CG2 3.48Å; Y550-T558 HydrophobicContact CE2-CG2 4.36Å; Y550-T558 PolarHBondContact N-O 3.06Å; Y550-T558 PolarHBondContact O-N 3.29Å; T558-L560 HydrophobicContact CG2-CD2 4.34Å; T558-Y574 HydrophobicContact CG2-CD2 3.97Å; T558-Y574 HydrophobicContact CG2-CE2 3.74Å; T558-A576 WeakPolarHBondContact CA-O 3.03Å; T558-R577 HydrophobicContact CG2-CB 4.45Å; T558-R577 WeakPolarHBondContact OG1-CG 3.36Å
559	L	96	Very high	83.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.1	177.4	-177.3	70.4	0	0	0	110.2	Y547 A549 V575 A576 F590 L601 L615 A618 L623	Y547-L559 HydrophobicContact CD1-CD1 4.07Å; Y547-L559 HydrophobicContact CD1-CD2 4.36Å; Y547-L559 HydrophobicContact CD1-CG 4.44Å; Y547-L559 HydrophobicContact CG-CD1 4.44Å; A549-L559 HydrophobicContact CB-CD1 4.15Å; L559-V575 HydrophobicContact CB-CB 4.28Å; L559-V575 HydrophobicContact CD2-CB 4.19Å; L559-V575 HydrophobicContact CD2-CG1 4.14Å; L559-V575 HydrophobicContact CD2-CG2 4.34Å; L559-V575 HydrophobicContact CG-CB 4.21Å; L559-V575 HydrophobicContact CG-CG2 4.26Å; L559-V575 WeakPolarHBondContact O-CB 3.48Å; L559-V575 PolarHBondContact O-N 3.29Å; L559-A576 PolarHBondContact N-O 3.3Å; L559-A576 PolarHBondContact O-N 2.51Å; L559-F590 HydrophobicContact CD1-CZ 4.01Å; L559-L601 HydrophobicContact CD1-CD2 4.41Å; L559-L615 HydrophobicContact CD1-CD2 4.07Å; L559-L615 HydrophobicContact CD2-CD2 3.69Å; L559-A618 HydrophobicContact CD2-CB 4.2Å; L559-L623 HydrophobicContact CB-CD2 4.02Å; L559-L623 HydrophobicContact CD2-CD1 3.85Å; L559-L623 HydrophobicContact CD2-CD2 4.4Å
560	L	93.6	Very high	81.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.2	171.3	-51.9	179.8	0	0	0	109.2	L513 F529 Y547 C548 Y550 T558 W572 C573 Y574	L513-L560 HydrophobicContact CD2-CD1 3.53Å; F529-L560 HydrophobicContact CD2-CD1 4.08Å; F529-L560 HydrophobicContact CE2-CD1 4.29Å; F529-L560 HydrophobicContact CG-CD1 4.3Å; Y547-L560 WeakPolarHBondContact CA-O 3.38Å; C548-L560 HydrophobicContact CB-CB 4.26Å; C548-L560 PolarHBondContact N-O 3.45Å; C548-L560 PolarHBondContact O-N 3.35Å; Y550-L560 HydrophobicContact CE1-CD1 4.24Å; Y550-L560 HydrophobicContact CE1-CD2 4.5Å; Y550-L560 HydrophobicContact CE1-CG 4.3Å; T558-L560 HydrophobicContact CG2-CD2 4.34Å; L560-W572 HydrophobicContact CB-CE3 3.97Å; L560-C573 CarbonylContact C-O 3.32Å; L560-C573 VanDerWaalsContact CA-O 3.29Å; L560-C573 WeakPolarHBondContact CA-O 3.44Å; L560-Y574 HydrophobicContact CD2-CD2 4.24Å
561	L	91.1	Very high	81	Confident	67 Å²	67	52.4 Å²	52.4	35%	0.351	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	131.8	177	176.5	73.2	0	0	0	108.9	N546 Y547 S563 C573 V575	N546-L561 CarbonylContact O-C 3.49Å; N546-L561 WeakPolarHBondContact O-CA 3.21Å; Y547-L561 HydrophobicContact CD1-CD1 3.81Å; Y547-L561 HydrophobicContact CE1-CD1 3.45Å; Y547-L561 VanDerWaalsContact CE1-CD1 3.45Å; L561-S563 PolarHBondContact O-N 3Å; L561-C573 PolarHBondContact N-O 3.34Å; L561-C573 PolarHBondContact O-N 3.45Å; L561-V575 HydrophobicContact CB-CG2 3.43Å; L561-V575 VanDerWaalsContact CB-CG2 3.43Å
562	R	86.7	Confident	80.5	Confident	27 Å²	27	53.2 Å²	53.2	10%	0.102	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.3	171.9	-168.1	173.6	179.9	161	-2.8	109.3	N545 N546 N570 W572	N545-R562 PolarHBondContact ND2-NH1 3.43Å; N545-R562 WeakPolarHBondContact O-CD 3.5Å; N546-R562 PolarHBondContact O-N 2.88Å; R562-N570 VanDerWaalsContact CZ-OD1 3.31Å; R562-N570 PolarHBondContact NE-OD1 3.18Å; R562-N570 PolarHBondContact NH2-OD1 3.3Å; R562-W572 HydrophobicContact CB-CD2 4.45Å; R562-W572 HydrophobicContact CB-CE3 4.09Å; R562-W572 HydrophobicContact CB-CH2 4.01Å; R562-W572 HydrophobicContact CB-CZ2 4.36Å; R562-W572 HydrophobicContact CB-CZ3 3.87Å
563	S	78.3	Confident	80.1	Confident	26 Å²	26	55.8 Å²	55.8	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	129.6	173.8	-171.5	0	0	0	0	110.2	L561 S565 N570 S571	L561-S563 PolarHBondContact O-N 3Å; S563-S565 PolarHBondContact OG-N 3.4Å; S563-S565 PolarHBondContact OG-OG 3.32Å; S563-N570 PolarHBondContact O-N 2.86Å; S563-S571 PolarHBondContact N-O 2.88Å
564	N	67.7	Low	79.9	Confident	116 Å²	116	55.4 Å²	55.4	62%	0.62	29%	0.292	S	S	*	.			trans	-105.7	22.4	171.5	-67.5	-9.1	0	0	0	111.6
565	S	60.8	Low	79.7	Confident	51 Å²	51	54.8 Å²	54.8	36%	0.357	29%	0.285	S	S	.	.			trans	-68.7	137.8	174.7	56.9	0	0	0	0	110.7	S563 E567 C568 E569	S563-S565 PolarHBondContact OG-N 3.4Å; S563-S565 PolarHBondContact OG-OG 3.32Å; S565-E567 PolarHBondContact O-N 3Å; S565-E567 VanDerWaalsContact O-N 3.09Å; S565-C568 CarbonylContact O-C 3.54Å; S565-C568 VanDerWaalsContact O-C 3.32Å; S565-C568 PolarHBondContact O-N 3.34Å; S565-E569 PolarHBondContact O-N 2.63Å
566	Q	56	Low	79.7	Confident	188 Å²	188	52.3 Å²	52.3	88%	0.879	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.5	179.2	-71.3	-177.1	-14.2	0	0	113.1
567	E	53.4	Low	79.6	Confident	187 Å²	187	54.5 Å²	54.5	87%	0.874	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.4	179.8	-66.8	-176.7	161.4	0	0	113.9	S565	S565-E567 PolarHBondContact O-N 3Å; S565-E567 VanDerWaalsContact O-N 3.09Å
568	C	52.7	Low	79.5	Confident	69 Å²	69	56.2 Å²	56.2	47%	0.466	29%	0.292	S	S	.	.	S	Bend	trans	-141.7	55.4	-176.2	-65.8	0	0	0	0	110.6	S565 N570 S571	S565-C568 CarbonylContact O-C 3.54Å; S565-C568 VanDerWaalsContact O-C 3.32Å; S565-C568 PolarHBondContact O-N 3.34Å; C568-N570 PolarHBondContact O-N 3.31Å; C568-S571 VanDerWaalsContact CB-OG 3.24Å; C568-S571 WeakPolarHBondContact CB-OG 2.89Å; C568-S571 WeakPolarHBondContact O-CB 3.37Å; C568-S571 PolarHBondContact O-N 2.55Å; C568-S571 PolarHBondContact O-OG 3.19Å
569	E	56.6	Low	79.4	Confident	148 Å²	148	62.1 Å²	62.1	69%	0.692	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	128.7	179.4	-82.7	-169.4	159.1	0	0	110.9	S565 S571	S565-E569 PolarHBondContact O-N 2.63Å; E569-S571 VanDerWaalsContact C-N 3.27Å; E569-S571 PolarHBondContact O-N 3.02Å
570	N	62.6	Low	79.3	Confident	51 Å²	51	62.4 Å²	62.4	27%	0.273	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	18.5	176.6	-59.2	-40.2	0	0	0	116.3	R562 S563 C568	R562-N570 VanDerWaalsContact CZ-OD1 3.31Å; R562-N570 PolarHBondContact NE-OD1 3.18Å; R562-N570 PolarHBondContact NH2-OD1 3.3Å; S563-N570 PolarHBondContact O-N 2.86Å; C568-N570 PolarHBondContact O-N 3.31Å
571	S	77.5	Confident	79.4	Confident	33 Å²	33	62.4 Å²	62.4	23%	0.231	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	139.2	173	61.7	0	0	0	0	112.1	S563 C568 E569	S563-S571 PolarHBondContact N-O 2.88Å; C568-S571 VanDerWaalsContact CB-OG 3.24Å; C568-S571 WeakPolarHBondContact CB-OG 2.89Å; C568-S571 WeakPolarHBondContact O-CB 3.37Å; C568-S571 PolarHBondContact O-N 2.55Å; C568-S571 PolarHBondContact O-OG 3.19Å; E569-S571 VanDerWaalsContact C-N 3.27Å; E569-S571 PolarHBondContact O-N 3.02Å
572	W	86.7	Confident	79.5	Confident	16 Å²	16	64.2 Å²	64.2	6%	0.061	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126	174.3	-72	97.7	0	0	0	110.5	V515 F529 F541 C548 L560 R562	V515-W572 HydrophobicContact CG2-CG 4.5Å; F529-W572 HydrophobicContact CE1-CB 4.47Å; F529-W572 WeakPolarHBondContact CE1-O 3.11Å; F529-W572 HydrophobicContact CE2-CB 4.05Å; F529-W572 HydrophobicContact CZ-CB 3.58Å; F529-W572 WeakPolarHBondContact CZ-O 3.33Å; F541-W572 AromaticContact CD1-CH2 3.79Å; F541-W572 HydrophobicContact CD1-CH2 3.79Å; F541-W572 HydrophobicContact CD1-CZ2 4Å; F541-W572 AromaticContact CE1-CH2 3.65Å; F541-W572 HydrophobicContact CE1-CH2 3.65Å; F541-W572 AromaticContact CE1-CZ2 3.46Å; F541-W572 HydrophobicContact CE1-CZ2 3.46Å; F541-W572 VanDerWaalsContact CE1-CZ2 3.46Å; C548-W572 HydrophobicContact CB-CE3 3.96Å; C548-W572 HydrophobicContact CB-CH2 3.78Å; C548-W572 HydrophobicContact CB-CZ2 4.48Å; C548-W572 HydrophobicContact CB-CZ3 3.48Å; C548-W572 VanDerWaalsContact CB-CZ3 3.48Å; L560-W572 HydrophobicContact CB-CE3 3.97Å; R562-W572 HydrophobicContact CB-CD2 4.45Å; R562-W572 HydrophobicContact CB-CE3 4.09Å; R562-W572 HydrophobicContact CB-CH2 4.01Å; R562-W572 HydrophobicContact CB-CZ2 4.36Å; R562-W572 HydrophobicContact CB-CZ3 3.87Å
573	C	88.1	Confident	79.9	Confident	56 Å²	56	70.5 Å²	70.5	38%	0.378	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	139.5	179.1	-68.8	0	0	0	0	111	L560 L561 V575	L560-C573 CarbonylContact C-O 3.32Å; L560-C573 VanDerWaalsContact CA-O 3.29Å; L560-C573 WeakPolarHBondContact CA-O 3.44Å; L561-C573 PolarHBondContact N-O 3.34Å; L561-C573 PolarHBondContact O-N 3.45Å; C573-V575 PolarHBondContact O-N 2.86Å
574	Y	90.5	Very high	80.7	Confident	41 Å²	41	75 Å²	75	16%	0.161	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.1	172.6	172.9	-96.4	0	0	0	111.4	Y531 T558 L560 A576 R577 H621	Y531-Y574 AromaticContact CD1-CD2 3.81Å; Y531-Y574 HydrophobicContact CD1-CD2 3.81Å; Y531-Y574 AromaticContact CD1-CE2 3.78Å; Y531-Y574 HydrophobicContact CD1-CE2 3.78Å; Y531-Y574 HydrophobicContact CD1-CG 4.28Å; Y531-Y574 AromaticContact CD2-CD2 3.34Å; Y531-Y574 HydrophobicContact CD2-CD2 3.34Å; Y531-Y574 AromaticContact CD2-CE2 3.9Å; Y531-Y574 HydrophobicContact CD2-CE2 3.9Å; Y531-Y574 HydrophobicContact CD2-CG 4.07Å; Y531-Y574 HydrophobicContact CE1-CD1 4.29Å; Y531-Y574 AromaticContact CE1-CD2 3.9Å; Y531-Y574 HydrophobicContact CE1-CD2 3.9Å; Y531-Y574 HydrophobicContact CE1-CE2 4.23Å; Y531-Y574 AromaticContact CE1-CG 3.9Å; Y531-Y574 HydrophobicContact CE1-CG 3.9Å; Y531-Y574 AromaticContact CE2-CD2 3.44Å; Y531-Y574 HydrophobicContact CE2-CD2 3.44Å; Y531-Y574 VanDerWaalsContact CE2-CD2 3.44Å; Y531-Y574 HydrophobicContact CE2-CE2 4.34Å; Y531-Y574 AromaticContact CE2-CG 3.68Å; Y531-Y574 HydrophobicContact CE2-CG 3.68Å; Y531-Y574 AromaticContact CG-CD2 3.53Å; Y531-Y574 HydrophobicContact CG-CD2 3.53Å; Y531-Y574 AromaticContact CG-CE2 3.59Å; Y531-Y574 HydrophobicContact CG-CE2 3.59Å; Y531-Y574 HydrophobicContact CG-CG 4.35Å; Y531-Y574 AromaticContact CZ-CD2 3.73Å; Y531-Y574 AromaticContact CZ-CG 3.59Å; Y531-Y574 WeakPolarHBondContact OH-CB 3.26Å; T558-Y574 HydrophobicContact CG2-CD2 3.97Å; T558-Y574 HydrophobicContact CG2-CE2 3.74Å; L560-Y574 HydrophobicContact CD2-CD2 4.24Å; Y574-A576 VanDerWaalsContact CZ-CA 3.48Å; Y574-A576 WeakPolarHBondContact OH-CA 3.19Å; Y574-R577 HydrophobicContact CE2-CB 4.21Å; Y574-R577 WeakPolarHBondContact OH-CB 3.37Å; Y574-R577 PolarHBondContact OH-N 3.5Å; Y574-H621 AromaticContact CE1-CE1 3.81Å; Y574-H621 AromaticContact CE1-ND1 3.55Å
575	V	92.1	Very high	82.1	Confident	12 Å²	12	69.5 Å²	69.5	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-74.2	171.4	-175.2	0	0	0	0	108.8	L559 L561 C573 A618 R619 K620 H621	L559-V575 HydrophobicContact CB-CB 4.28Å; L559-V575 HydrophobicContact CD2-CB 4.19Å; L559-V575 HydrophobicContact CD2-CG1 4.14Å; L559-V575 HydrophobicContact CD2-CG2 4.34Å; L559-V575 HydrophobicContact CG-CB 4.21Å; L559-V575 HydrophobicContact CG-CG2 4.26Å; L559-V575 WeakPolarHBondContact O-CB 3.48Å; L559-V575 PolarHBondContact O-N 3.29Å; L561-V575 HydrophobicContact CB-CG2 3.43Å; L561-V575 VanDerWaalsContact CB-CG2 3.43Å; C573-V575 PolarHBondContact O-N 2.86Å; V575-A618 HydrophobicContact CG1-CB 4.09Å; V575-R619 WeakPolarHBondContact CG1-O 3.2Å; V575-K620 CarbonylContact O-C 3.25Å; V575-K620 WeakPolarHBondContact O-CA 3.23Å; V575-H621 PolarHBondContact O-N 3.25Å
576	A	94	Very high	83.8	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	165.3	-174.6	0	0	0	0	0	111.4	T558 L559 Y574 L623	T558-A576 WeakPolarHBondContact CA-O 3.03Å; L559-A576 PolarHBondContact N-O 3.3Å; L559-A576 PolarHBondContact O-N 2.51Å; Y574-A576 VanDerWaalsContact CZ-CA 3.48Å; Y574-A576 WeakPolarHBondContact OH-CA 3.19Å; A576-L623 HydrophobicContact CB-CB 3.75Å
577	R	93.9	Very high	85.7	Confident	56 Å²	56	60.1 Å²	60.1	21%	0.211	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.8	173.7	175.5	-178.4	174.6	-161	9	109.2	Y531 K533 D552 T556 T557 T558 Y574	Y531-R577 VanDerWaalsContact O-CD 3.24Å; Y531-R577 WeakPolarHBondContact O-CD 3.29Å; Y531-R577 VanDerWaalsContact O-CZ 3.28Å; Y531-R577 PolarHBondContact O-NE 2.82Å; Y531-R577 PolarHBondContact O-NH1 2.91Å; K533-R577 VanDerWaalsContact CG-NH1 3.29Å; K533-R577 VanDerWaalsContact CG-NH2 3.33Å; D552-R577 IonicContact OD2-CZ 2.77Å; D552-R577 IonicContact OD2-NE 2.96Å; D552-R577 IonicContact OD2-NH2 2.94Å; D552-R577 PolarHBondContact OD2-NH2 3Å; T556-R577 PolarHBondContact OG1-NE 3.22Å; T556-R577 PolarHBondContact OG1-NH2 3.05Å; T557-R577 WeakPolarHBondContact O-CA 3.26Å; T558-R577 HydrophobicContact CG2-CB 4.45Å; T558-R577 WeakPolarHBondContact OG1-CG 3.36Å; Y574-R577 HydrophobicContact CE2-CB 4.21Å; Y574-R577 WeakPolarHBondContact OH-CB 3.37Å; Y574-R577 PolarHBondContact OH-N 3.5Å
578	V	94.7	Very high	87.7	Confident	36 Å²	36	51.6 Å²	51.6	22%	0.218	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.7	-174.1	172.4	0	0	0	0	110.5	T556 T557 Y613 L623 V625	T556-V578 CarbonylContact C-O 3.55Å; T556-V578 WeakPolarHBondContact CA-O 3.26Å; T557-V578 PolarHBondContact N-O 3.27Å; T557-V578 PolarHBondContact O-N 3.16Å; V578-Y613 HydrophobicContact CG1-CE1 4.44Å; V578-L623 HydrophobicContact CG2-CB 3.86Å; V578-L623 WeakPolarHBondContact CG2-O 3.48Å; V578-V625 HydrophobicContact CG1-CG2 3.95Å
579	R	94.5	Very high	89.7	Confident	124 Å²	124	49.7 Å²	49.7	47%	0.468	23%	0.232	S	C	.	.			trans	-108.9	94.6	173.8	-177	174.3	167.6	113.2	-7	108.8	A554 F555 T556 H581	A554-R579 PolarHBondContact O-NH1 3.39Å; F555-R579 VanDerWaalsContact CD2-CZ 3.46Å; T556-R579 HydrophobicContact CG2-CB 3.92Å; T556-R579 HydrophobicContact CG2-CG 4.29Å; R579-H581 WeakPolarHBondContact CG-O 3.25Å; R579-H581 PolarHBondContact NE-O 3.25Å
580	A	93.9	Very high	91.5	Very high	7 Å²	7	43.4 Å²	43.4	6%	0.058	20%	0.202	C	C	.	.			trans	-84.6	-25.4	175.7	0	0	0	0	0	112.6	A611 Y613 V625 R628	A580-A611 HydrophobicContact CB-CB 3.87Å; A580-Y613 HydrophobicContact CB-CE1 4.12Å; A580-Y613 WeakPolarHBondContact CB-OH 3.19Å; A580-V625 HydrophobicContact CB-CG2 3.94Å; A580-R628 WeakPolarHBondContact O-CD 3.46Å; A580-R628 PolarHBondContact O-NH1 2.73Å; A580-R628 VanDerWaalsContact O-NH1 3.09Å
581	H	95.6	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.192	C	C	.	.			trans	-109.8	155.3	-170.9	-66.6	-68	0	0	0	113.3	R579 I585 T603 S605 D607 T609 A611	R579-H581 WeakPolarHBondContact CG-O 3.25Å; R579-H581 PolarHBondContact NE-O 3.25Å; H581-I585 HydrophobicContact CB-CG1 4.44Å; H581-T603 PolarHBondContact CD2-OG1 3.48Å; H581-T603 VanDerWaalsContact CD2-OG1 3.27Å; H581-T603 PolarHBondContact NE2-O 3.21Å; H581-T603 PolarHBondContact NE2-OG1 2.82Å; H581-S605 VanDerWaalsContact CG-CB 3.43Å; H581-S605 WeakPolarHBondContact ND1-CB 3.25Å; H581-D607 WeakPolarHBondContact CA-OD2 3.16Å; H581-D607 VanDerWaalsContact CB-OD2 3.23Å; H581-D607 WeakPolarHBondContact CB-OD2 3.42Å; H581-D607 IonicContact CE1-OD1 3.21Å; H581-D607 IonicContact CG-OD2 3.95Å; H581-D607 IonicContact ND1-OD1 3.68Å; H581-D607 PolarHBondContact ND1-OD1 3.29Å; H581-D607 IonicContact ND1-OD2 2.87Å; H581-D607 PolarHBondContact ND1-OD2 2.98Å; H581-T609 PolarHBondContact CE1-O 2.9Å; H581-T609 PolarHBondContact CE1-OG1 2.95Å; H581-T609 PolarHBondContact ND1-OG1 3.01Å; H581-A611 WeakPolarHBondContact NE2-CB 3.35Å
582	N	92.7	Very high	92.7	Very high	104 Å²	104	41.6 Å²	41.6	56%	0.556	19%	0.19	S	C	*	.	S	Bend	trans	-107.8	-9	179.4	-72.9	-27.2	0	0	0	113.8	F555 D607	F555-N582 VanDerWaalsContact CD2-C 3.48Å; F555-N582 WeakPolarHBondContact CD2-O 3.29Å; F555-N582 VanDerWaalsContact CE2-O 3.25Å; F555-N582 WeakPolarHBondContact CE2-O 3.37Å; N582-D607 PolarHBondContact N-OD2 2.95Å
583	R	95	Very high	92	Very high	159 Å²	159	42.5 Å²	42.5	60%	0.6	20%	0.196	S	C	*	.	S	Bend	trans	-129.2	179.6	176.2	-62.8	-72.5	-171.3	154.3	-0.6	110.1	F555 I585 S605 E606 D607	F555-R583 WeakPolarHBondContact CB-O 3.27Å; F555-R583 VanDerWaalsContact CD1-C 3.46Å; F555-R583 VanDerWaalsContact CD1-O 3.29Å; F555-R583 WeakPolarHBondContact CD1-O 3.17Å; F555-R583 VanDerWaalsContact CG-C 3.48Å; F555-R583 WeakPolarHBondContact CG-O 3.09Å; R583-I585 PolarHBondContact O-N 3.23Å; R583-S605 PolarHBondContact O-OG 2.89Å; R583-E606 HydrophobicContact CB-CB 3.95Å; R583-D607 HydrophobicContact CB-CB 3.89Å; R583-D607 HydrophobicContact CG-CB 3.83Å
584	R	95.7	Very high	91	Very high	120 Å²	120	43.7 Å²	43.7	45%	0.453	20%	0.202	S	C	.	.			trans	-52.5	131.5	179.8	-178.1	171.1	177.5	-90.8	-4.3	110.9	F555 S605 E606	F555-R584 HydrophobicContact CE1-CB 4.19Å; R584-S605 VanDerWaalsContact O-CA 3.29Å; R584-S605 WeakPolarHBondContact O-CA 3.49Å; R584-S605 WeakPolarHBondContact O-CB 3.43Å; R584-S605 PolarHBondContact O-OG 2.65Å; R584-E606 HydrophobicContact CB-CG 4.3Å; R584-E606 IonicContact NH1-OE1 3.94Å; R584-E606 PolarHBondContact O-N 2.98Å
585	I	97.4	Very high	89.8	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.9	169.7	-64.7	170.6	0	0	0	106.9	H538 A551 H581 R583 D587 T603 L604	H538-I585 PolarHBondContact CE1-O 3.2Å; A551-I585 HydrophobicContact CB-CB 4.2Å; A551-I585 HydrophobicContact CB-CD1 3.79Å; A551-I585 HydrophobicContact CB-CG2 3.87Å; H581-I585 HydrophobicContact CB-CG1 4.44Å; R583-I585 PolarHBondContact O-N 3.23Å; I585-D587 WeakPolarHBondContact CG2-O 3.13Å; I585-T603 HydrophobicContact CG2-CG2 4.49Å; I585-L604 CarbonylContact C-O 3.57Å; I585-L604 WeakPolarHBondContact CA-O 3.32Å; I585-L604 WeakPolarHBondContact CG2-O 3.13Å
586	T	95.9	Very high	88.6	Confident	10 Å²	10	52.6 Å²	52.6	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-25.1	-177.9	51.8	0	0	0	0	112.7	H538 L604 E606 P637	H538-T586 PolarHBondContact NE2-O 2.65Å; H538-T586 VanDerWaalsContact NE2-O 3.08Å; T586-L604 PolarHBondContact N-O 3.47Å; T586-L604 WeakPolarHBondContact OG1-CG 3.49Å; T586-L604 PolarHBondContact OG1-O 2.82Å; T586-E606 HydrophobicContact CG2-CG 3.5Å; T586-P637 VanDerWaalsContact CG2-O 3.31Å; T586-P637 WeakPolarHBondContact CG2-O 3.14Å; T586-P637 PolarHBondContact OG1-O 3.24Å
587	D	96.3	Very high	87.5	Confident	33 Å²	33	60.8 Å²	60.8	18%	0.176	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	158.6	174	-140.7	-28.9	0	0	0	112.7	I585 T603 L604 L640	I585-D587 WeakPolarHBondContact CG2-O 3.13Å; D587-T603 WeakPolarHBondContact O-CA 3.35Å; D587-L604 HydrophobicContact CB-CB 4.19Å; D587-L604 PolarHBondContact N-O 2.7Å; D587-L604 PolarHBondContact O-N 2.86Å; D587-L640 HydrophobicContact CB-CB 3.79Å; D587-L640 PolarHBondContact OD2-N 2.98Å; D587-L640 VanDerWaalsContact OD2-O 3.04Å
588	L	95.8	Very high	86.8	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	124	176.8	-179.3	156.5	0	0	0	108.8	H538 D540 A549 A551 T557 L601 T603	H538-L588 HydrophobicContact CB-CB 3.92Å; D540-L588 HydrophobicContact CB-CD2 3.48Å; D540-L588 VanDerWaalsContact CB-CD2 3.48Å; A549-L588 HydrophobicContact CB-CD1 4.17Å; A549-L588 HydrophobicContact CB-CD2 4.17Å; A551-L588 HydrophobicContact CB-CD1 4.02Å; T557-L588 HydrophobicContact CG2-CD1 4.11Å; L588-L601 HydrophobicContact CD2-CD1 4.07Å; L588-L601 HydrophobicContact CG-CD1 4.19Å; L588-T603 HydrophobicContact CB-CG2 4.26Å; L588-T603 HydrophobicContact CD1-CG2 4.13Å; L588-T603 HydrophobicContact CG-CG2 4.06Å
589	L	94.9	Very high	86.5	Confident	30 Å²	30	65.6 Å²	65.6	16%	0.157	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.1	-173.5	-178.1	66.1	0	0	0	111.8	F602 L640 F653	L589-F602 PolarHBondContact N-O 2.81Å; L589-F602 PolarHBondContact O-N 2.51Å; L589-L640 HydrophobicContact CB-CD2 3.94Å; L589-L640 HydrophobicContact CD2-CD2 4.08Å; L589-L640 HydrophobicContact CD2-CG 4.06Å; L589-F653 HydrophobicContact CD2-CE1 4.42Å
590	F	93.5	Very high	86.3	Confident	15 Å²	15	62 Å²	62	7%	0.066	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.5	158.7	-79.7	-78.1	0	0	0	110.9	D540 F541 A549 L559 R600 L601 L615	D540-F590 HydrophobicContact CB-CD2 4.1Å; D540-F590 WeakPolarHBondContact O-CE2 3.16Å; D540-F590 PolarHBondContact OD2-N 2.82Å; F541-F590 VanDerWaalsContact C-CD2 3.42Å; A549-F590 HydrophobicContact CB-CE2 3.56Å; A549-F590 HydrophobicContact CB-CZ 3.64Å; L559-F590 HydrophobicContact CD1-CZ 4.01Å; F590-R600 CarbonylContact C-O 3.56Å; F590-R600 WeakPolarHBondContact CA-O 3.22Å; F590-L601 HydrophobicContact CD1-CB 4.14Å; F590-L601 HydrophobicContact CD1-CD1 4.16Å; F590-L601 HydrophobicContact CD2-CD1 4.24Å; F590-L601 HydrophobicContact CE1-CB 3.91Å; F590-L601 HydrophobicContact CE1-CD1 3.99Å; F590-L601 HydrophobicContact CE1-CD2 4.47Å; F590-L601 HydrophobicContact CE1-CG 4.34Å; F590-L601 HydrophobicContact CE2-CD1 4.07Å; F590-L601 HydrophobicContact CG-CD1 4.3Å; F590-L601 HydrophobicContact CZ-CD1 3.95Å; F590-L601 HydrophobicContact CZ-CD2 4.39Å; F590-L615 HydrophobicContact CD1-CD1 4.26Å; F590-L615 HydrophobicContact CE1-CD1 3.79Å
591	W	86.1	Confident	86.4	Confident	15 Å²	15	61.7 Å²	61.7	6%	0.057	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.7	174.2	177.1	-127.1	0	0	0	110.4	S599 R600 F602 M642 E651 F653	W591-S599 CarbonylContact O-C 3.44Å; W591-S599 WeakPolarHBondContact O-CA 3.33Å; W591-R600 HydrophobicContact CB-CB 4.44Å; W591-R600 PolarHBondContact N-O 3.46Å; W591-R600 PolarHBondContact O-N 3.34Å; W591-F602 HydrophobicContact CB-CD2 4.26Å; W591-F602 HydrophobicContact CB-CE2 4Å; W591-M642 HydrophobicContact CE3-CE 3.77Å; W591-M642 HydrophobicContact CE3-CG 3.86Å; W591-M642 HydrophobicContact CE3-SD 4.08Å; W591-M642 HydrophobicContact CH2-CE 4.33Å; W591-M642 HydrophobicContact CH2-CG 3.74Å; W591-M642 HydrophobicContact CH2-SD 3.64Å; W591-M642 HydrophobicContact CZ3-CE 3.28Å; W591-M642 HydrophobicContact CZ3-CG 3.38Å; W591-M642 HydrophobicContact CZ3-SD 3.17Å; W591-M642 WeakPolarHBondContact CZ3-SD 3.2Å; W591-E651 WeakPolarHBondContact CZ2-OE2 3.34Å; W591-F653 HydrophobicContact CG-CE1 4.45Å; W591-F653 HydrophobicContact CG-CZ 4.5Å
592	T	80.2	Confident	86.4	Confident	32 Å²	32	61.7 Å²	61.7	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	116	173.3	-59.3	0	0	0	0	108.9	T594 R598 S599	T592-T594 PolarHBondContact O-N 2.76Å; T592-R598 WeakPolarHBondContact CA-O 3.4Å; T592-S599 PolarHBondContact OG1-OG 3.1Å
593	L	71.2	Confident	86.6	Confident	35 Å²	35	56.8 Å²	56.8	18%	0.183	26%	0.26	C	S	.	.			trans	-66	134.8	-179.3	-144.2	78.9	0	0	0	109.8	E595 S596 K597 R598 E651	L593-E595 VanDerWaalsContact C-N 3.25Å; L593-E595 PolarHBondContact O-N 2.94Å; L593-S596 WeakPolarHBondContact CB-OG 3.47Å; L593-S596 PolarHBondContact O-N 2.65Å; L593-K597 PolarHBondContact O-N 3.46Å; L593-R598 PolarHBondContact N-O 2.94Å; L593-E651 VanDerWaalsContact CD1-OE2 3.31Å; L593-E651 WeakPolarHBondContact CD1-OE2 3Å
594	T	67.8	Low	86.7	Confident	81 Å²	81	49.2 Å²	49.2	50%	0.497	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-41.2	-176.3	-30.2	0	0	0	0	112.1	T592 L645 E651	T592-T594 PolarHBondContact O-N 2.76Å; T594-L645 HydrophobicContact CG2-CD1 3.82Å; T594-L645 VanDerWaalsContact OG1-CD1 3.24Å; T594-L645 WeakPolarHBondContact OG1-CD1 3.35Å; T594-E651 PolarHBondContact OG1-OE1 2.76Å
595	E	65.7	Low	86.8	Confident	181 Å²	181	43.5 Å²	43.5	85%	0.846	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-48.5	-178.1	-60.5	-176.8	165.3	0	0	113.2	L593	L593-E595 VanDerWaalsContact C-N 3.25Å; L593-E595 PolarHBondContact O-N 2.94Å
596	S	66.2	Low	86.7	Confident	58 Å²	58	45.8 Å²	45.8	41%	0.406	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-17.6	-169.3	73.2	0	0	0	0	113.7	L593 R598	L593-S596 WeakPolarHBondContact CB-OG 3.47Å; L593-S596 PolarHBondContact O-N 2.65Å; S596-R598 PolarHBondContact O-N 2.99Å; S596-R598 WeakPolarHBondContact OG-CB 3.45Å; S596-R598 PolarHBondContact OG-N 3.22Å
597	K	70.8	Confident	86.6	Confident	173 Å²	173	46.7 Å²	46.7	75%	0.752	23%	0.226	S	C	*	.			trans	51.5	16.6	-168.9	-60.9	-175.7	178.8	-179.4	0	113.8	L593	L593-K597 PolarHBondContact O-N 3.46Å
598	R	79.4	Confident	86.5	Confident	173 Å²	173	49.3 Å²	49.3	65%	0.653	23%	0.233	S	C	*	.			trans	-86.6	134.6	177.1	-67.9	-175.6	177.6	179.2	-0.6	109.5	T592 L593 S596	T592-R598 WeakPolarHBondContact CA-O 3.4Å; L593-R598 PolarHBondContact N-O 2.94Å; S596-R598 PolarHBondContact O-N 2.99Å; S596-R598 WeakPolarHBondContact OG-CB 3.45Å; S596-R598 PolarHBondContact OG-N 3.22Å
599	S	87.1	Confident	86.5	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.7	171.3	-58.2	0	0	0	0	110.4	W591 T592 L615	W591-S599 CarbonylContact O-C 3.44Å; W591-S599 WeakPolarHBondContact O-CA 3.33Å; T592-S599 PolarHBondContact OG1-OG 3.1Å; S599-L615 WeakPolarHBondContact O-CD1 3.49Å
600	R	91.3	Very high	86.5	Confident	50 Å²	50	48.4 Å²	48.4	19%	0.189	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.2	172	-65.3	169.8	71.7	-169.3	5.2	107.3	F590 W591 F602 E612 T667	F590-R600 CarbonylContact C-O 3.56Å; F590-R600 WeakPolarHBondContact CA-O 3.22Å; W591-R600 HydrophobicContact CB-CB 4.44Å; W591-R600 PolarHBondContact N-O 3.46Å; W591-R600 PolarHBondContact O-N 3.34Å; R600-F602 HydrophobicContact CB-CD2 4.39Å; R600-F602 HydrophobicContact CB-CE2 3.57Å; R600-F602 HydrophobicContact CB-CZ 4.11Å; R600-E612 IonicContact CZ-OE1 3.97Å; R600-E612 VanDerWaalsContact CZ-OE1 3.28Å; R600-E612 IonicContact CZ-OE2 3.72Å; R600-E612 IonicContact NE-OE1 3.28Å; R600-E612 PolarHBondContact NE-OE1 3Å; R600-E612 VanDerWaalsContact NH2-CD 3.28Å; R600-E612 IonicContact NH2-OE1 2.77Å; R600-E612 PolarHBondContact NH2-OE1 3.35Å; R600-E612 IonicContact NH2-OE2 3.98Å; R600-E612 PolarHBondContact NH2-OE2 3.24Å; R600-T667 PolarHBondContact NH1-O 3.45Å
601	L	95.3	Very high	86.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.6	178.8	174.3	63.8	0	0	0	109.2	A549 T557 L559 L588 F590 Y613 L615	A549-L601 HydrophobicContact CB-CD1 3.95Å; A549-L601 HydrophobicContact CB-CD2 3.89Å; T557-L601 HydrophobicContact CG2-CD2 4.25Å; L559-L601 HydrophobicContact CD1-CD2 4.41Å; L588-L601 HydrophobicContact CD2-CD1 4.07Å; L588-L601 HydrophobicContact CG-CD1 4.19Å; F590-L601 HydrophobicContact CD1-CB 4.14Å; F590-L601 HydrophobicContact CD1-CD1 4.16Å; F590-L601 HydrophobicContact CD2-CD1 4.24Å; F590-L601 HydrophobicContact CE1-CB 3.91Å; F590-L601 HydrophobicContact CE1-CD1 3.99Å; F590-L601 HydrophobicContact CE1-CD2 4.47Å; F590-L601 HydrophobicContact CE1-CG 4.34Å; F590-L601 HydrophobicContact CE2-CD1 4.07Å; F590-L601 HydrophobicContact CG-CD1 4.3Å; F590-L601 HydrophobicContact CZ-CD1 3.95Å; F590-L601 HydrophobicContact CZ-CD2 4.39Å; L601-Y613 HydrophobicContact CB-CD2 4.37Å; L601-Y613 HydrophobicContact CD2-CD2 4.03Å; L601-Y613 HydrophobicContact CD2-CG 4.2Å; L601-Y613 HydrophobicContact CG-CD2 3.85Å; L601-Y613 HydrophobicContact CG-CG 4.42Å; L601-Y613 PolarHBondContact O-N 3.43Å; L601-L615 HydrophobicContact CB-CD1 4.14Å; L601-L615 HydrophobicContact CB-CD2 4Å; L601-L615 HydrophobicContact CB-CG 4.23Å; L601-L615 HydrophobicContact CD2-CD2 4.2Å
602	F	96.1	Very high	87.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.4	177.1	-62.5	-86.2	0	0	0	111.6	L589 W591 R600 L610 A611 E612 L640 F653	L589-F602 PolarHBondContact N-O 2.81Å; L589-F602 PolarHBondContact O-N 2.51Å; W591-F602 HydrophobicContact CB-CD2 4.26Å; W591-F602 HydrophobicContact CB-CE2 4Å; R600-F602 HydrophobicContact CB-CD2 4.39Å; R600-F602 HydrophobicContact CB-CE2 3.57Å; R600-F602 HydrophobicContact CB-CZ 4.11Å; F602-L610 HydrophobicContact CB-CD1 4.09Å; F602-L610 HydrophobicContact CD1-CD1 4.39Å; F602-L610 HydrophobicContact CD1-CD2 4.14Å; F602-L610 HydrophobicContact CD1-CG 4.13Å; F602-A611 VanDerWaalsContact CA-O 3.29Å; F602-A611 WeakPolarHBondContact CA-O 3.34Å; F602-E612 HydrophobicContact CD1-CB 3.93Å; F602-E612 HydrophobicContact CD1-CG 4.12Å; F602-E612 HydrophobicContact CE1-CB 3.66Å; F602-E612 HydrophobicContact CE1-CG 3.55Å; F602-E612 HydrophobicContact CZ-CG 3.97Å; F602-L640 HydrophobicContact CB-CD2 4.21Å; F602-F653 HydrophobicContact CD2-CE1 4.38Å; F602-F653 HydrophobicContact CD2-CZ 4.02Å; F602-F653 HydrophobicContact CE1-CE2 4.49Å; F602-F653 HydrophobicContact CE1-CZ 4.34Å; F602-F653 HydrophobicContact CE2-CE1 4.33Å; F602-F653 HydrophobicContact CE2-CE2 4.47Å; F602-F653 AromaticContact CE2-CZ 3.61Å; F602-F653 HydrophobicContact CE2-CZ 3.61Å; F602-F653 HydrophobicContact CZ-CE2 4.2Å; F602-F653 AromaticContact CZ-CZ 3.77Å; F602-F653 HydrophobicContact CZ-CZ 3.77Å
603	T	97.5	Very high	87.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138	165.1	54.6	0	0	0	0	110.7	T557 H581 I585 D587 L588 L610 A611 Y613	T557-T603 HydrophobicContact CG2-CG2 4.07Å; T557-T603 WeakPolarHBondContact OG1-CG2 3.32Å; H581-T603 PolarHBondContact CD2-OG1 3.48Å; H581-T603 VanDerWaalsContact CD2-OG1 3.27Å; H581-T603 PolarHBondContact NE2-O 3.21Å; H581-T603 PolarHBondContact NE2-OG1 2.82Å; I585-T603 HydrophobicContact CG2-CG2 4.49Å; D587-T603 WeakPolarHBondContact O-CA 3.35Å; L588-T603 HydrophobicContact CB-CG2 4.26Å; L588-T603 HydrophobicContact CD1-CG2 4.13Å; L588-T603 HydrophobicContact CG-CG2 4.06Å; T603-L610 WeakPolarHBondContact O-CA 3.15Å; T603-A611 PolarHBondContact N-O 2.85Å; T603-A611 PolarHBondContact O-N 3.23Å; T603-Y613 HydrophobicContact CG2-CE2 3.76Å; T603-Y613 WeakPolarHBondContact OG1-CE2 3.23Å; T603-Y613 PolarHBondContact OG1-OH 2.79Å
604	L	97.1	Very high	88.9	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	142.5	175.9	-174	69.6	0	0	0	109.1	I585 T586 D587 L610 V631 P637 L640 I655	I585-L604 CarbonylContact C-O 3.57Å; I585-L604 WeakPolarHBondContact CA-O 3.32Å; I585-L604 WeakPolarHBondContact CG2-O 3.13Å; T586-L604 PolarHBondContact N-O 3.47Å; T586-L604 WeakPolarHBondContact OG1-CG 3.49Å; T586-L604 PolarHBondContact OG1-O 2.82Å; D587-L604 HydrophobicContact CB-CB 4.19Å; D587-L604 PolarHBondContact N-O 2.7Å; D587-L604 PolarHBondContact O-N 2.86Å; L604-L610 HydrophobicContact CB-CD1 4.34Å; L604-L610 HydrophobicContact CD1-CB 4.48Å; L604-L610 HydrophobicContact CD1-CD1 4.16Å; L604-V631 HydrophobicContact CD1-CG2 3.91Å; L604-P637 HydrophobicContact CD1-CB 3.77Å; L604-P637 HydrophobicContact CD1-CG 3.87Å; L604-P637 HydrophobicContact CD2-CB 3.73Å; L604-P637 HydrophobicContact CD2-CG 4.35Å; L604-P637 HydrophobicContact CG-CB 3.86Å; L604-P637 HydrophobicContact CG-CG 3.96Å; L604-L640 HydrophobicContact CB-CB 4.38Å; L604-L640 HydrophobicContact CD2-CB 4.03Å; L604-I655 HydrophobicContact CD1-CD1 4.18Å; L604-I655 HydrophobicContact CD2-CG2 4.37Å
605	S	96.9	Very high	90	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.8	-178.8	177.8	0	0	0	0	113.7	H581 R583 R584 D607 R608 T609 P637	H581-S605 VanDerWaalsContact CG-CB 3.43Å; H581-S605 WeakPolarHBondContact ND1-CB 3.25Å; R583-S605 PolarHBondContact O-OG 2.89Å; R584-S605 VanDerWaalsContact O-CA 3.29Å; R584-S605 WeakPolarHBondContact O-CA 3.49Å; R584-S605 WeakPolarHBondContact O-CB 3.43Å; R584-S605 PolarHBondContact O-OG 2.65Å; S605-D607 WeakPolarHBondContact CB-OD1 3.09Å; S605-D607 PolarHBondContact O-N 2.78Å; S605-D607 PolarHBondContact OG-N 2.92Å; S605-R608 PolarHBondContact O-N 2.93Å; S605-T609 PolarHBondContact N-O 2.88Å; S605-P637 WeakPolarHBondContact O-CD 3.28Å; S605-P637 WeakPolarHBondContact O-CG 3.2Å
606	E	95.6	Very high	91.1	Very high	50 Å²	50	43.5 Å²	43.5	23%	0.234	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-9.4	169.1	-64.2	-174.2	-154.7	0	0	113.8	R583 R584 T586 R608 K636	R583-E606 HydrophobicContact CB-CB 3.95Å; R584-E606 HydrophobicContact CB-CG 4.3Å; R584-E606 IonicContact NH1-OE1 3.94Å; R584-E606 PolarHBondContact O-N 2.98Å; T586-E606 HydrophobicContact CG2-CG 3.5Å; E606-R608 PolarHBondContact O-N 2.84Å; E606-K636 HydrophobicContact CB-CD 4.44Å; E606-K636 HydrophobicContact CG-CD 4.41Å; E606-K636 IonicContact OE2-NZ 2.96Å
607	D	94.2	Very high	92.2	Very high	29 Å²	29	44.3 Å²	44.3	16%	0.155	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	4.6	168.6	70.9	14.6	0	0	0	113.3	H581 N582 R583 S605 T609	H581-D607 WeakPolarHBondContact CA-OD2 3.16Å; H581-D607 VanDerWaalsContact CB-OD2 3.23Å; H581-D607 WeakPolarHBondContact CB-OD2 3.42Å; H581-D607 IonicContact CE1-OD1 3.21Å; H581-D607 IonicContact CG-OD2 3.95Å; H581-D607 IonicContact ND1-OD1 3.68Å; H581-D607 PolarHBondContact ND1-OD1 3.29Å; H581-D607 IonicContact ND1-OD2 2.87Å; H581-D607 PolarHBondContact ND1-OD2 2.98Å; N582-D607 PolarHBondContact N-OD2 2.95Å; R583-D607 HydrophobicContact CB-CB 3.89Å; R583-D607 HydrophobicContact CG-CB 3.83Å; S605-D607 WeakPolarHBondContact CB-OD1 3.09Å; S605-D607 PolarHBondContact O-N 2.78Å; S605-D607 PolarHBondContact OG-N 2.92Å; D607-T609 VanDerWaalsContact C-N 3.28Å; D607-T609 PolarHBondContact O-N 3.48Å; D607-T609 WeakPolarHBondContact OD1-CB 3.29Å; D607-T609 PolarHBondContact OD1-N 2.86Å; D607-T609 PolarHBondContact OD1-OG1 2.86Å
608	R	93.8	Very high	93.2	Very high	88 Å²	88	37.3 Å²	37.3	33%	0.332	17%	0.166	S	C	.	.	S	Bend	trans	74.4	14.8	173.8	-48.6	172.8	178	149.5	-0.3	114	S605 E606 V631 E632 Q633 L634	S605-R608 PolarHBondContact O-N 2.93Å; E606-R608 PolarHBondContact O-N 2.84Å; R608-V631 WeakPolarHBondContact O-CG2 3.47Å; R608-V631 PolarHBondContact O-N 3.3Å; R608-E632 HydrophobicContact CB-CB 3.93Å; R608-E632 VanDerWaalsContact CB-O 3.27Å; R608-E632 WeakPolarHBondContact CB-O 3.45Å; R608-E632 HydrophobicContact CG-CB 4.16Å; R608-E632 PolarHBondContact O-N 3.42Å; R608-Q633 WeakPolarHBondContact CD-O 3.29Å; R608-Q633 PolarHBondContact NE-O 2.56Å; R608-Q633 VanDerWaalsContact NE-O 3.15Å; R608-Q633 PolarHBondContact NH1-O 3.46Å; R608-L634 PolarHBondContact NE-O 2.87Å; R608-L634 PolarHBondContact NH2-O 2.79Å
609	T	95.1	Very high	93.6	Very high	16 Å²	16	37.7 Å²	37.7	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149	179.7	70.5	0	0	0	0	112.9	H581 S605 D607 Y629	H581-T609 PolarHBondContact CE1-O 2.9Å; H581-T609 PolarHBondContact CE1-OG1 2.95Å; H581-T609 PolarHBondContact ND1-OG1 3.01Å; S605-T609 PolarHBondContact N-O 2.88Å; D607-T609 VanDerWaalsContact C-N 3.28Å; D607-T609 PolarHBondContact O-N 3.48Å; D607-T609 WeakPolarHBondContact OD1-CB 3.29Å; D607-T609 PolarHBondContact OD1-N 2.86Å; D607-T609 PolarHBondContact OD1-OG1 2.86Å; T609-Y629 CarbonylContact C-O 3.56Å; T609-Y629 VanDerWaalsContact CA-O 3.22Å; T609-Y629 WeakPolarHBondContact CA-O 3.47Å
610	L	95.9	Very high	93.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.9	166.5	-177.3	73.4	0	0	0	107.9	F602 T603 L604 R628 Y629 V631 L640 L670	F602-L610 HydrophobicContact CB-CD1 4.09Å; F602-L610 HydrophobicContact CD1-CD1 4.39Å; F602-L610 HydrophobicContact CD1-CD2 4.14Å; F602-L610 HydrophobicContact CD1-CG 4.13Å; T603-L610 WeakPolarHBondContact O-CA 3.15Å; L604-L610 HydrophobicContact CB-CD1 4.34Å; L604-L610 HydrophobicContact CD1-CB 4.48Å; L604-L610 HydrophobicContact CD1-CD1 4.16Å; L610-R628 WeakPolarHBondContact O-CA 3.3Å; L610-Y629 PolarHBondContact N-O 3.07Å; L610-Y629 PolarHBondContact O-N 3.33Å; L610-V631 HydrophobicContact CB-CG1 3.82Å; L610-L640 HydrophobicContact CD1-CD1 4.48Å; L610-L640 HydrophobicContact CD1-CD2 3.87Å; L610-L670 HydrophobicContact CD2-CD2 4.25Å
611	A	96.2	Very high	93.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.3	177.7	0	0	0	0	0	110.8	A580 H581 F602 T603 Y613 V625 R628	A580-A611 HydrophobicContact CB-CB 3.87Å; H581-A611 WeakPolarHBondContact NE2-CB 3.35Å; F602-A611 VanDerWaalsContact CA-O 3.29Å; F602-A611 WeakPolarHBondContact CA-O 3.34Å; T603-A611 PolarHBondContact N-O 2.85Å; T603-A611 PolarHBondContact O-N 3.23Å; A611-Y613 HydrophobicContact CB-CE2 4.16Å; A611-V625 HydrophobicContact CB-CG1 4.48Å; A611-R628 HydrophobicContact CB-CG 4.11Å
612	E	95.4	Very high	93.4	Very high	15 Å²	15	51.3 Å²	51.3	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.1	172.4	-173.2	172.4	-177.3	0	0	110.3	R600 F602 V625 I626 A627 Y629	R600-E612 IonicContact CZ-OE1 3.97Å; R600-E612 VanDerWaalsContact CZ-OE1 3.28Å; R600-E612 IonicContact CZ-OE2 3.72Å; R600-E612 IonicContact NE-OE1 3.28Å; R600-E612 PolarHBondContact NE-OE1 3Å; R600-E612 VanDerWaalsContact NH2-CD 3.28Å; R600-E612 IonicContact NH2-OE1 2.77Å; R600-E612 PolarHBondContact NH2-OE1 3.35Å; R600-E612 IonicContact NH2-OE2 3.98Å; R600-E612 PolarHBondContact NH2-OE2 3.24Å; F602-E612 HydrophobicContact CD1-CB 3.93Å; F602-E612 HydrophobicContact CD1-CG 4.12Å; F602-E612 HydrophobicContact CE1-CB 3.66Å; F602-E612 HydrophobicContact CE1-CG 3.55Å; F602-E612 HydrophobicContact CZ-CG 3.97Å; E612-V625 CarbonylContact O-C 3.57Å; E612-V625 WeakPolarHBondContact O-CG1 3.21Å; E612-I626 HydrophobicContact CB-CB 4.36Å; E612-I626 HydrophobicContact CG-CB 4.39Å; E612-I626 HydrophobicContact CG-CD1 4.03Å; E612-I626 PolarHBondContact O-N 3.21Å; E612-A627 PolarHBondContact N-O 3.05Å; E612-Y629 HydrophobicContact CB-CE2 4.28Å
613	Y	95.8	Very high	93.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142	-178.2	-57.6	-97.8	0	0	0	112.1	T557 V578 A580 L601 T603 A611 L615 L623 V625	T557-Y613 HydrophobicContact CG2-CE2 4.46Å; T557-Y613 PolarHBondContact OG1-OH 3Å; V578-Y613 HydrophobicContact CG1-CE1 4.44Å; A580-Y613 HydrophobicContact CB-CE1 4.12Å; A580-Y613 WeakPolarHBondContact CB-OH 3.19Å; L601-Y613 HydrophobicContact CB-CD2 4.37Å; L601-Y613 HydrophobicContact CD2-CD2 4.03Å; L601-Y613 HydrophobicContact CD2-CG 4.2Å; L601-Y613 HydrophobicContact CG-CD2 3.85Å; L601-Y613 HydrophobicContact CG-CG 4.42Å; L601-Y613 PolarHBondContact O-N 3.43Å; T603-Y613 HydrophobicContact CG2-CE2 3.76Å; T603-Y613 WeakPolarHBondContact OG1-CE2 3.23Å; T603-Y613 PolarHBondContact OG1-OH 2.79Å; A611-Y613 HydrophobicContact CB-CE2 4.16Å; Y613-L615 PolarHBondContact O-N 3.46Å; Y613-L623 HydrophobicContact CD1-CD2 3.67Å; Y613-L623 HydrophobicContact CD1-CG 3.9Å; Y613-L623 HydrophobicContact CE1-CD2 4.35Å; Y613-L623 HydrophobicContact CG-CD2 4.2Å; Y613-L623 HydrophobicContact CG-CG 4.45Å; Y613-V625 HydrophobicContact CD1-CG2 4.02Å; Y613-V625 HydrophobicContact CE1-CG2 3.98Å
614	D	93.5	Very high	93.1	Very high	30 Å²	30	53.8 Å²	53.8	16%	0.16	25%	0.251	C	S	.	.			trans	-85.3	93.4	178.3	-167.5	-20.2	0	0	0	110.8	Y616 N617 A618 P624 I626	D614-Y616 VanDerWaalsContact C-N 3.29Å; D614-Y616 WeakPolarHBondContact OD1-CB 3.4Å; D614-Y616 PolarHBondContact OD1-N 2.99Å; D614-N617 PolarHBondContact OD1-N 3.15Å; D614-N617 WeakPolarHBondContact OD2-CB 3.43Å; D614-N617 PolarHBondContact OD2-ND2 3.5Å; D614-A618 PolarHBondContact O-N 3.04Å; D614-P624 HydrophobicContact CB-CB 4.03Å; D614-P624 HydrophobicContact CB-CG 4.43Å; D614-P624 PolarHBondContact N-O 3.46Å; D614-I626 HydrophobicContact CB-CD1 4.11Å; D614-I626 HydrophobicContact CB-CG1 3.66Å
615	L	91.8	Very high	93	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.079	27%	0.266	C	S	.	.	S	Bend	trans	-71.4	-23.8	176.2	-59	-176.6	0	0	0	112.9	Y547 L559 F590 S599 L601 Y613 A618 L623	Y547-L615 HydrophobicContact CD2-CD1 4.5Å; L559-L615 HydrophobicContact CD1-CD2 4.07Å; L559-L615 HydrophobicContact CD2-CD2 3.69Å; F590-L615 HydrophobicContact CD1-CD1 4.26Å; F590-L615 HydrophobicContact CE1-CD1 3.79Å; S599-L615 WeakPolarHBondContact O-CD1 3.49Å; L601-L615 HydrophobicContact CB-CD1 4.14Å; L601-L615 HydrophobicContact CB-CD2 4Å; L601-L615 HydrophobicContact CB-CG 4.23Å; L601-L615 HydrophobicContact CD2-CD2 4.2Å; Y613-L615 PolarHBondContact O-N 3.46Å; L615-A618 WeakPolarHBondContact O-CB 3.45Å; L615-L623 HydrophobicContact CD2-CD1 4.25Å
616	Y	87.5	Confident	92.9	Very high	194 Å²	194	60.6 Å²	60.6	76%	0.761	29%	0.288	S	S	*	.	S	Bend	trans	-75.8	-41.8	-177.3	179.6	-97.9	0	0	0	111.4	D614 A618	D614-Y616 VanDerWaalsContact C-N 3.29Å; D614-Y616 WeakPolarHBondContact OD1-CB 3.4Å; D614-Y616 PolarHBondContact OD1-N 2.99Å; Y616-A618 VanDerWaalsContact C-N 3.32Å
617	N	90.1	Very high	92.7	Very high	75 Å²	75	59.5 Å²	59.5	40%	0.401	29%	0.287	S	S	.	.	S	Bend	trans	-90.6	6.8	176.4	-66.7	-53	0	0	0	113.4	D614 R619 P624	D614-N617 PolarHBondContact OD1-N 3.15Å; D614-N617 WeakPolarHBondContact OD2-CB 3.43Å; D614-N617 PolarHBondContact OD2-ND2 3.5Å; N617-R619 PolarHBondContact O-N 3.13Å; N617-P624 HydrophobicContact CB-CG 4.31Å
618	A	91.1	Very high	92.7	Very high	25 Å²	25	64.9 Å²	64.9	21%	0.207	31%	0.306	C	S	.	.			trans	-63.2	129.5	175.6	0	0	0	0	0	110.7	L559 V575 D614 L615 Y616 S622 L623	L559-A618 HydrophobicContact CD2-CB 4.2Å; V575-A618 HydrophobicContact CG1-CB 4.09Å; D614-A618 PolarHBondContact O-N 3.04Å; L615-A618 WeakPolarHBondContact O-CB 3.45Å; Y616-A618 VanDerWaalsContact C-N 3.32Å; A618-S622 WeakPolarHBondContact CA-O 3.48Å; A618-L623 HydrophobicContact CB-CD1 3.83Å
619	R	88.6	Confident	92.7	Very high	182 Å²	182	64.4 Å²	64.4	69%	0.687	30%	0.304	S	S	*	.	B	Isolated β-bridge	trans	-130	167.5	178	-62.8	-179	-174	-176.2	1.9	109.4	V575 N617 H621 S622	V575-R619 WeakPolarHBondContact CG1-O 3.2Å; N617-R619 PolarHBondContact O-N 3.13Å; R619-H621 PolarHBondContact O-N 2.94Å; R619-H621 VanDerWaalsContact O-N 3.14Å; R619-S622 PolarHBondContact N-O 3.34Å; R619-S622 CarbonylContact O-C 3.51Å; R619-S622 PolarHBondContact O-N 3.04Å
620	K	87.9	Confident	92.5	Very high	160 Å²	160	69.6 Å²	69.6	70%	0.696	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	123.5	171.9	-164	-178.4	177.1	175.7	0	109.7	V575 S622	V575-K620 CarbonylContact O-C 3.25Å; V575-K620 WeakPolarHBondContact O-CA 3.23Å; K620-S622 VanDerWaalsContact C-N 3.31Å; K620-S622 PolarHBondContact O-N 3.41Å
621	H	89.2	Confident	92.3	Very high	136 Å²	136	69.8 Å²	69.8	63%	0.63	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	12.6	-172.6	-51.9	-70.3	0	0	0	117.1	Y574 V575 R619	Y574-H621 AromaticContact CE1-CE1 3.81Å; Y574-H621 AromaticContact CE1-ND1 3.55Å; V575-H621 PolarHBondContact O-N 3.25Å; R619-H621 PolarHBondContact O-N 2.94Å; R619-H621 VanDerWaalsContact O-N 3.14Å
622	S	91.7	Very high	91.9	Very high	58 Å²	58	70.3 Å²	70.3	41%	0.406	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-141.6	119	176.9	-171.7	0	0	0	0	112.3	A618 R619 K620	A618-S622 WeakPolarHBondContact CA-O 3.48Å; R619-S622 PolarHBondContact N-O 3.34Å; R619-S622 CarbonylContact O-C 3.51Å; R619-S622 PolarHBondContact O-N 3.04Å; K620-S622 VanDerWaalsContact C-N 3.31Å; K620-S622 PolarHBondContact O-N 3.41Å
623	L	94	Very high	91.2	Very high	5 Å²	5	72.6 Å²	72.6	3%	0.026	34%	0.342	C	S	.	.			trans	-124.9	96.2	170.3	174.6	65.3	0	0	0	108.4	L559 A576 V578 Y613 L615 A618	L559-L623 HydrophobicContact CB-CD2 4.02Å; L559-L623 HydrophobicContact CD2-CD1 3.85Å; L559-L623 HydrophobicContact CD2-CD2 4.4Å; A576-L623 HydrophobicContact CB-CB 3.75Å; V578-L623 HydrophobicContact CG2-CB 3.86Å; V578-L623 WeakPolarHBondContact CG2-O 3.48Å; Y613-L623 HydrophobicContact CD1-CD2 3.67Å; Y613-L623 HydrophobicContact CD1-CG 3.9Å; Y613-L623 HydrophobicContact CE1-CD2 4.35Å; Y613-L623 HydrophobicContact CG-CD2 4.2Å; Y613-L623 HydrophobicContact CG-CG 4.45Å; L615-L623 HydrophobicContact CD2-CD1 4.25Å; A618-L623 HydrophobicContact CB-CD1 3.83Å
624	P	94.3	Very high	90.6	Very high	47 Å²	47	77.2 Å²	77.2	31%	0.305	37%	0.366	S	S	.	.			trans	-62.5	143.6	-179.8	-19.5	31.6	0	0	0	111.7	D614 N617	D614-P624 HydrophobicContact CB-CB 4.03Å; D614-P624 HydrophobicContact CB-CG 4.43Å; D614-P624 PolarHBondContact N-O 3.46Å; N617-P624 HydrophobicContact CB-CG 4.31Å
625	V	95.1	Very high	90.4	Very high	52 Å²	52	76.4 Å²	76.4	32%	0.315	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.5	169.3	-179.7	0	0	0	0	106.8	V578 A580 A611 E612 Y613 R628	V578-V625 HydrophobicContact CG1-CG2 3.95Å; A580-V625 HydrophobicContact CB-CG2 3.94Å; A611-V625 HydrophobicContact CB-CG1 4.48Å; E612-V625 CarbonylContact O-C 3.57Å; E612-V625 WeakPolarHBondContact O-CG1 3.21Å; Y613-V625 HydrophobicContact CD1-CG2 4.02Å; Y613-V625 HydrophobicContact CE1-CG2 3.98Å; V625-R628 HydrophobicContact CG1-CG 4.19Å
626	I	93.5	Very high	90.4	Very high	91 Å²	91	80.2 Å²	80.2	47%	0.467	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-53.6	179.2	-62.6	-177.3	0	0	0	109	E612 D614	E612-I626 HydrophobicContact CB-CB 4.36Å; E612-I626 HydrophobicContact CG-CB 4.39Å; E612-I626 HydrophobicContact CG-CD1 4.03Å; E612-I626 PolarHBondContact O-N 3.21Å; D614-I626 HydrophobicContact CB-CD1 4.11Å; D614-I626 HydrophobicContact CB-CG1 3.66Å
627	A	93.2	Very high	90.8	Very high	27 Å²	27	71 Å²	71	22%	0.223	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	163.7	-177.8	0	0	0	0	0	111	E612 Y629	E612-A627 PolarHBondContact N-O 3.05Å; A627-Y629 HydrophobicContact CB-CD2 4.3Å; A627-Y629 HydrophobicContact CB-CE1 4.1Å; A627-Y629 HydrophobicContact CB-CE2 3.54Å; A627-Y629 VanDerWaalsContact CB-CZ 3.43Å; A627-Y629 WeakPolarHBondContact CB-OH 3.2Å
628	R	93.6	Very high	91.1	Very high	142 Å²	142	69.1 Å²	69.1	54%	0.536	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.1	168.1	-66	-176.9	-63.2	176.5	4.4	107.8	A580 L610 A611 V625	A580-R628 WeakPolarHBondContact O-CD 3.46Å; A580-R628 PolarHBondContact O-NH1 2.73Å; A580-R628 VanDerWaalsContact O-NH1 3.09Å; L610-R628 WeakPolarHBondContact O-CA 3.3Å; A611-R628 HydrophobicContact CB-CG 4.11Å; V625-R628 HydrophobicContact CG1-CG 4.19Å
629	Y	92.8	Very high	91.3	Very high	78 Å²	78	68 Å²	68	31%	0.306	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.9	-176.7	-56.9	-85.7	0	0	0	109	T609 L610 E612 A627 V631 L670	T609-Y629 CarbonylContact C-O 3.56Å; T609-Y629 VanDerWaalsContact CA-O 3.22Å; T609-Y629 WeakPolarHBondContact CA-O 3.47Å; L610-Y629 PolarHBondContact N-O 3.07Å; L610-Y629 PolarHBondContact O-N 3.33Å; E612-Y629 HydrophobicContact CB-CE2 4.28Å; A627-Y629 HydrophobicContact CB-CD2 4.3Å; A627-Y629 HydrophobicContact CB-CE1 4.1Å; A627-Y629 HydrophobicContact CB-CE2 3.54Å; A627-Y629 VanDerWaalsContact CB-CZ 3.43Å; A627-Y629 WeakPolarHBondContact CB-OH 3.2Å; Y629-V631 PolarHBondContact O-N 3.46Å; Y629-L670 HydrophobicContact CD1-CB 4.37Å; Y629-L670 HydrophobicContact CD1-CD1 3.72Å; Y629-L670 HydrophobicContact CD2-CD1 3.54Å; Y629-L670 HydrophobicContact CE1-CD1 3.48Å; Y629-L670 VanDerWaalsContact CE1-CD1 3.48Å; Y629-L670 HydrophobicContact CE2-CD1 3.27Å; Y629-L670 HydrophobicContact CG-CD1 3.74Å
630	Q	91.2	Very high	91.6	Very high	125 Å²	125	59.6 Å²	59.6	58%	0.584	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.9	173.1	-168.3	93.1	21.7	0	0	108.5	E632	Q630-E632 WeakPolarHBondContact CG-O 3.3Å; Q630-E632 PolarHBondContact NE2-O 2.89Å
631	V	91.4	Very high	91.8	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.042	26%	0.261	C	S	.	.			trans	-111.1	-15.9	179.1	-64.5	0	0	0	0	112.9	L604 R608 L610 Y629 P637 I655 Y665	L604-V631 HydrophobicContact CD1-CG2 3.91Å; R608-V631 WeakPolarHBondContact O-CG2 3.47Å; R608-V631 PolarHBondContact O-N 3.3Å; L610-V631 HydrophobicContact CB-CG1 3.82Å; Y629-V631 PolarHBondContact O-N 3.46Å; V631-P637 HydrophobicContact CG2-CB 4.43Å; V631-P637 HydrophobicContact CG2-CG 4.4Å; V631-I655 HydrophobicContact CB-CD1 4.1Å; V631-I655 HydrophobicContact CG1-CD1 3.98Å; V631-I655 HydrophobicContact CG2-CD1 4.28Å; V631-Y665 HydrophobicContact CB-CE2 4.26Å; V631-Y665 HydrophobicContact CG1-CE1 4.46Å; V631-Y665 HydrophobicContact CG1-CE2 4.42Å; V631-Y665 PolarHBondContact O-OH 2.76Å
632	E	88.5	Confident	91.7	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.047	25%	0.245	C	C	.	.			trans	-139.3	149.9	175.3	-73.3	-61.6	166.1	0	0	111.1	R608 Q630 A635 P637 N657 K663	R608-E632 HydrophobicContact CB-CB 3.93Å; R608-E632 VanDerWaalsContact CB-O 3.27Å; R608-E632 WeakPolarHBondContact CB-O 3.45Å; R608-E632 HydrophobicContact CG-CB 4.16Å; R608-E632 PolarHBondContact O-N 3.42Å; Q630-E632 WeakPolarHBondContact CG-O 3.3Å; Q630-E632 PolarHBondContact NE2-O 2.89Å; E632-A635 WeakPolarHBondContact CB-O 3.22Å; E632-A635 HydrophobicContact CG-CB 4.47Å; E632-P637 HydrophobicContact CG-CB 4.37Å; E632-N657 HydrophobicContact CG-CB 4.38Å; E632-N657 WeakPolarHBondContact OE1-CB 3.21Å; E632-N657 PolarHBondContact OE1-ND2 3.28Å; E632-K663 WeakPolarHBondContact OE1-CD 3.5Å; E632-K663 WeakPolarHBondContact OE1-CE 3.24Å; E632-K663 IonicContact OE1-NZ 3.01Å; E632-K663 PolarHBondContact OE1-NZ 2.84Å; E632-K663 VanDerWaalsContact OE1-NZ 3.09Å; E632-K663 IonicContact OE2-NZ 2.7Å; E632-K663 PolarHBondContact OE2-NZ 2.91Å
633	Q	81.8	Confident	91.4	Very high	63 Å²	63	45.9 Å²	45.9	29%	0.294	23%	0.226	S	C	.	.	S	Bend	trans	-98.2	-50.4	173.6	-76.8	-173.1	-30.7	0	0	112	R608 T841 A843 E930	R608-Q633 WeakPolarHBondContact CD-O 3.29Å; R608-Q633 PolarHBondContact NE-O 2.56Å; R608-Q633 VanDerWaalsContact NE-O 3.15Å; R608-Q633 PolarHBondContact NH1-O 3.46Å; Q633-T841 VanDerWaalsContact OE1-CB 3.27Å; Q633-T841 PolarHBondContact OE1-OG1 3.43Å; Q633-T841 VanDerWaalsContact OE1-OG1 3.1Å; Q633-A843 VanDerWaalsContact CD-CB 3.49Å; Q633-A843 HydrophobicContact CG-CB 4.3Å; Q633-E930 PolarHBondContact NE2-OE1 2.87Å
634	L	82.2	Confident	90.3	Very high	100 Å²	100	46.7 Å²	46.7	52%	0.524	23%	0.232	S	C	.	.	S	Bend	trans	-113.1	-49.6	-176.7	-64.7	175.7	0	0	0	112.2	R608	R608-L634 PolarHBondContact NE-O 2.87Å; R608-L634 PolarHBondContact NH2-O 2.79Å
635	A	88.2	Confident	89	Confident	12 Å²	12	47.8 Å²	47.8	10%	0.099	23%	0.234	C	C	.	.	S	Bend	trans	-65	158.1	-179.2	0	0	0	0	0	112	E632 N657 A659	E632-A635 WeakPolarHBondContact CB-O 3.22Å; E632-A635 HydrophobicContact CG-CB 4.47Å; A635-N657 HydrophobicContact CB-CB 4.03Å; A635-A659 HydrophobicContact CB-CB 3.88Å
636	K	92.6	Very high	87.5	Confident	96 Å²	96	48.8 Å²	48.8	42%	0.417	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-96.5	128.5	172.9	-61.1	178.7	-178.6	-175.2	0	108.8	E606 N657 S658	E606-K636 HydrophobicContact CB-CD 4.44Å; E606-K636 HydrophobicContact CG-CD 4.41Å; E606-K636 IonicContact OE2-NZ 2.96Å; K636-N657 CarbonylContact O-C 3.58Å; K636-N657 VanDerWaalsContact O-CA 3.32Å; K636-N657 WeakPolarHBondContact O-CA 3.37Å; K636-S658 PolarHBondContact N-OG 3.33Å; K636-S658 PolarHBondContact O-N 3.29Å
637	P	95.8	Very high	86.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	135.8	174.7	32.6	-36.6	0	0	0	109.9	T586 L604 S605 V631 E632 I655	T586-P637 VanDerWaalsContact CG2-O 3.31Å; T586-P637 WeakPolarHBondContact CG2-O 3.14Å; T586-P637 PolarHBondContact OG1-O 3.24Å; L604-P637 HydrophobicContact CD1-CB 3.77Å; L604-P637 HydrophobicContact CD1-CG 3.87Å; L604-P637 HydrophobicContact CD2-CB 3.73Å; L604-P637 HydrophobicContact CD2-CG 4.35Å; L604-P637 HydrophobicContact CG-CB 3.86Å; L604-P637 HydrophobicContact CG-CG 3.96Å; S605-P637 WeakPolarHBondContact O-CD 3.28Å; S605-P637 WeakPolarHBondContact O-CG 3.2Å; V631-P637 HydrophobicContact CG2-CB 4.43Å; V631-P637 HydrophobicContact CG2-CG 4.4Å; E632-P637 HydrophobicContact CG-CB 4.37Å; P637-I655 HydrophobicContact CB-CG2 3.95Å
638	L	96	Very high	85.5	Confident	36 Å²	36	46.7 Å²	46.7	19%	0.188	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-39.5	-169.1	-64.3	-179.7	0	0	0	113.9	S656 N657 Q684 Y685	L638-S656 PolarHBondContact N-O 2.99Å; L638-N657 WeakPolarHBondContact CD1-O 3.46Å; L638-Q684 HydrophobicContact CD1-CB 3.62Å; L638-Q684 HydrophobicContact CD1-CG 4.11Å; L638-Y685 WeakPolarHBondContact CB-O 3.24Å
639	C	95.1	Very high	84.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.6	177.9	60.6	0	0	0	0	111.5	I655 S656 Y685 T686	C639-I655 WeakPolarHBondContact O-CA 3.46Å; C639-S656 PolarHBondContact O-N 3.36Å; C639-Y685 PolarHBondContact SG-O 3.05Å; C639-Y685 VanDerWaalsContact SG-O 3.4Å; C639-T686 WeakPolarHBondContact CB-O 3.27Å
640	L	94.9	Very high	84	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.9	177.6	-179.5	65	0	0	0	108.7	D587 L589 F602 L604 L610 F653 F654 I655	D587-L640 HydrophobicContact CB-CB 3.79Å; D587-L640 PolarHBondContact OD2-N 2.98Å; D587-L640 VanDerWaalsContact OD2-O 3.04Å; L589-L640 HydrophobicContact CB-CD2 3.94Å; L589-L640 HydrophobicContact CD2-CD2 4.08Å; L589-L640 HydrophobicContact CD2-CG 4.06Å; F602-L640 HydrophobicContact CB-CD2 4.21Å; L604-L640 HydrophobicContact CB-CB 4.38Å; L604-L640 HydrophobicContact CD2-CB 4.03Å; L610-L640 HydrophobicContact CD1-CD1 4.48Å; L610-L640 HydrophobicContact CD1-CD2 3.87Å; L640-F653 HydrophobicContact CD1-CB 4.04Å; L640-F653 HydrophobicContact CD1-CD1 4.08Å; L640-F653 HydrophobicContact CD1-CG 4.27Å; L640-F654 WeakPolarHBondContact CA-O 3.47Å; L640-I655 HydrophobicContact CD1-CD1 4.22Å; L640-I655 HydrophobicContact CD1-CG1 3.77Å
641	S	93.2	Very high	83.6	Confident	7 Å²	7	40.3 Å²	40.3	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	176.1	174.4	-159.2	0	0	0	0	110.6	F654 V688	S641-F654 PolarHBondContact N-O 2.99Å; S641-F654 PolarHBondContact O-N 3.3Å; S641-V688 VanDerWaalsContact CB-O 3.24Å; S641-V688 WeakPolarHBondContact CB-O 3.36Å; S641-V688 PolarHBondContact OG-O 2.93Å
642	M	87.7	Confident	83.5	Confident	57 Å²	57	40.8 Å²	40.8	28%	0.281	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.4	-177.9	175	-114.8	-49.6	0	0	109.4	W591	W591-M642 HydrophobicContact CE3-CE 3.77Å; W591-M642 HydrophobicContact CE3-CG 3.86Å; W591-M642 HydrophobicContact CE3-SD 4.08Å; W591-M642 HydrophobicContact CH2-CE 4.33Å; W591-M642 HydrophobicContact CH2-CG 3.74Å; W591-M642 HydrophobicContact CH2-SD 3.64Å; W591-M642 HydrophobicContact CZ3-CE 3.28Å; W591-M642 HydrophobicContact CZ3-CG 3.38Å; W591-M642 HydrophobicContact CZ3-SD 3.17Å; W591-M642 WeakPolarHBondContact CZ3-SD 3.2Å
643	L	84.4	Confident	83.6	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.206	C	C	.	.			trans	-85.3	141.3	179.1	-81.2	168.4	0	0	0	111.6	L645 Y648 F652 L664 M702 L715 F717	L643-L645 PolarHBondContact O-N 3.15Å; L643-Y648 HydrophobicContact CB-CD2 4.44Å; L643-Y648 HydrophobicContact CD1-CD2 4.16Å; L643-Y648 HydrophobicContact CD1-CE2 3.76Å; L643-Y648 HydrophobicContact CD2-CE2 4.23Å; L643-Y648 HydrophobicContact CG-CE2 4.42Å; L643-F652 HydrophobicContact CB-CB 4.37Å; L643-F652 HydrophobicContact CD1-CB 3.65Å; L643-F652 HydrophobicContact CD1-CD2 4.48Å; L643-F652 HydrophobicContact CD1-CG 4.44Å; L643-F652 PolarHBondContact N-O 3.08Å; L643-L664 HydrophobicContact CD1-CD1 3.8Å; L643-L664 HydrophobicContact CD1-CD2 3.53Å; L643-L664 HydrophobicContact CD1-CG 4.22Å; L643-M702 HydrophobicContact CD2-CG 4.21Å; L643-M702 HydrophobicContact CD2-SD 3.9Å; L643-L715 HydrophobicContact CD2-CD1 3.73Å; L643-L715 HydrophobicContact CD2-CD2 3.93Å; L643-F717 HydrophobicContact CD1-CD2 4.38Å; L643-F717 HydrophobicContact CD1-CE2 4.31Å; L643-F717 HydrophobicContact CD2-CD2 4.16Å; L643-F717 HydrophobicContact CD2-CE2 3.53Å; L643-F717 HydrophobicContact CG-CE2 4.4Å
644	P	71.6	Confident	84.1	Confident	22 Å²	22	37.3 Å²	37.3	14%	0.143	19%	0.192	C	C	.	.			trans	-60.2	125.6	171.5	-20.4	31.9	0	0	0	111.3	S646 C647 P690 Y700 L715	P644-S646 PolarHBondContact O-N 2.77Å; P644-S646 VanDerWaalsContact O-N 3.14Å; P644-C647 PolarHBondContact O-N 2.8Å; P644-P690 HydrophobicContact CG-CB 3.98Å; P644-Y700 HydrophobicContact CB-CD1 4.12Å; P644-L715 HydrophobicContact CG-CD1 4.37Å
645	L	66.8	Low	84.7	Confident	69 Å²	69	32.6 Å²	32.6	36%	0.361	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-55.4	-32.2	-178.2	-65.9	169.3	0	0	0	113.6	T594 L643 C647 Y648 E651	T594-L645 HydrophobicContact CG2-CD1 3.82Å; T594-L645 VanDerWaalsContact OG1-CD1 3.24Å; T594-L645 WeakPolarHBondContact OG1-CD1 3.35Å; L643-L645 PolarHBondContact O-N 3.15Å; L645-C647 PolarHBondContact O-N 3.06Å; L645-Y648 PolarHBondContact O-N 3.06Å; L645-E651 HydrophobicContact CD2-CB 3.65Å; L645-E651 HydrophobicContact CD2-CG 3.34Å; L645-E651 WeakPolarHBondContact CD2-OE1 3.41Å
646	S	64.2	Low	85	Confident	74 Å²	74	32 Å²	32	52%	0.517	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-72.4	-9.7	-173.8	40.9	0	0	0	0	114.2	P644 Y700	P644-S646 PolarHBondContact O-N 2.77Å; P644-S646 VanDerWaalsContact O-N 3.14Å; S646-Y700 WeakPolarHBondContact CB-OH 3.36Å; S646-Y700 WeakPolarHBondContact OG-CE1 3.47Å; S646-Y700 PolarHBondContact OG-OH 3.13Å
647	C	68.7	Low	85	Confident	36 Å²	36	27.5 Å²	27.5	24%	0.243	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-93.5	-25	176.1	-169.7	0	0	0	0	113.5	P644 L645 Y700 L715	P644-C647 PolarHBondContact O-N 2.8Å; L645-C647 PolarHBondContact O-N 3.06Å; C647-Y700 HydrophobicContact CB-CD2 3.74Å; C647-Y700 HydrophobicContact CB-CE2 4.47Å; C647-Y700 HydrophobicContact CB-CG 4.18Å; C647-L715 HydrophobicContact CB-CB 4.49Å; C647-L715 HydrophobicContact CB-CD1 4.37Å; C647-L715 WeakPolarHBondContact SG-CB 3.21Å
648	Y	74.3	Confident	84.8	Confident	37 Å²	37	29.3 Å²	29.3	15%	0.145	16%	0.156	C	C	.	.			trans	-129.4	140.1	-173.9	-69.9	-81.8	0	0	0	110.2	L643 L645 E650 F652 P716 F717	L643-Y648 HydrophobicContact CB-CD2 4.44Å; L643-Y648 HydrophobicContact CD1-CD2 4.16Å; L643-Y648 HydrophobicContact CD1-CE2 3.76Å; L643-Y648 HydrophobicContact CD2-CE2 4.23Å; L643-Y648 HydrophobicContact CG-CE2 4.42Å; L645-Y648 PolarHBondContact O-N 3.06Å; Y648-E650 VanDerWaalsContact CB-O 3.25Å; Y648-E650 WeakPolarHBondContact CB-O 3.42Å; Y648-E650 PolarHBondContact O-N 3.23Å; Y648-F652 HydrophobicContact CD1-CD2 4.06Å; Y648-F652 AromaticContact CD1-CE2 3.79Å; Y648-F652 HydrophobicContact CD1-CE2 3.79Å; Y648-F652 HydrophobicContact CD2-CD2 4.25Å; Y648-F652 AromaticContact CG-CD2 3.82Å; Y648-F652 HydrophobicContact CG-CD2 3.82Å; Y648-F652 AromaticContact CG-CE2 3.91Å; Y648-F652 HydrophobicContact CG-CE2 3.91Å; Y648-P716 HydrophobicContact CE1-CB 4.03Å; Y648-P716 WeakPolarHBondContact OH-CA 3.49Å; Y648-P716 WeakPolarHBondContact OH-CB 3.38Å; Y648-F717 PolarHBondContact OH-N 3.2Å
649	K	76.3	Confident	84.4	Confident	142 Å²	142	30.1 Å²	30.1	62%	0.617	17%	0.167	S	C	*	.	S	Bend	trans	-67.9	-16.4	176.4	-67.6	175.6	178.2	168.6	0	113	C858 E859	K649-C858 HydrophobicContact CB-CB 3.93Å; K649-C858 HydrophobicContact CD-CB 3.8Å; K649-E859 VanDerWaalsContact NZ-CG 3.31Å; K649-E859 IonicContact NZ-OE1 2.87Å; K649-E859 PolarHBondContact NZ-OE1 3.27Å
650	E	79.2	Confident	84.1	Confident	37 Å²	37	30.6 Å²	30.6	17%	0.173	17%	0.171	C	C	.	.	S	Bend	trans	-117.3	158.7	174.4	-58.9	-177.7	166.3	0	0	110.1	Y648 F652 N666 R673 C858	Y648-E650 VanDerWaalsContact CB-O 3.25Å; Y648-E650 WeakPolarHBondContact CB-O 3.42Å; Y648-E650 PolarHBondContact O-N 3.23Å; E650-F652 HydrophobicContact CB-CE1 4.37Å; E650-F652 HydrophobicContact CB-CE2 3.9Å; E650-F652 HydrophobicContact CB-CZ 3.74Å; E650-F652 HydrophobicContact CG-CZ 4.43Å; E650-F652 VanDerWaalsContact OE2-CZ 3.26Å; E650-F652 WeakPolarHBondContact OE2-CZ 3.48Å; E650-N666 PolarHBondContact OE2-ND2 2.88Å; E650-R673 IonicContact OE1-CZ 2.64Å; E650-R673 IonicContact OE1-NH1 3.71Å; E650-R673 PolarHBondContact OE1-NH1 2.9Å; E650-R673 IonicContact OE1-NH2 3.04Å; E650-R673 IonicContact OE2-CZ 3.91Å; E650-R673 IonicContact OE2-NH1 3.27Å; E650-R673 PolarHBondContact OE2-NH1 3.03Å; E650-C858 WeakPolarHBondContact CG-SG 3.5Å; E650-C858 PolarHBondContact OE1-SG 3.14Å; E650-C858 VanDerWaalsContact OE1-SG 3.34Å
651	E	83.5	Confident	83.7	Confident	33 Å²	33	31.2 Å²	31.2	15%	0.154	17%	0.174	C	C	.	.			trans	-90.2	136.6	173.4	-20	-178.9	132	0	0	110.8	W591 L593 T594 L645 T667	W591-E651 WeakPolarHBondContact CZ2-OE2 3.34Å; L593-E651 VanDerWaalsContact CD1-OE2 3.31Å; L593-E651 WeakPolarHBondContact CD1-OE2 3Å; T594-E651 PolarHBondContact OG1-OE1 2.76Å; L645-E651 HydrophobicContact CD2-CB 3.65Å; L645-E651 HydrophobicContact CD2-CG 3.34Å; L645-E651 WeakPolarHBondContact CD2-OE1 3.41Å; E651-T667 HydrophobicContact CB-CG2 3.81Å; E651-T667 WeakPolarHBondContact CB-OG1 3.41Å; E651-T667 PolarHBondContact O-N 3.12Å; E651-T667 PolarHBondContact OE2-OG1 3.45Å; E651-T667 VanDerWaalsContact OE2-OG1 3.08Å
652	F	88.8	Confident	83.6	Confident	16 Å²	16	31.1 Å²	31.1	7%	0.07	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.3	-174.5	-69	-64.5	0	0	0	112.9	L643 Y648 E650 L664 Y665 N666 R673	L643-F652 HydrophobicContact CB-CB 4.37Å; L643-F652 HydrophobicContact CD1-CB 3.65Å; L643-F652 HydrophobicContact CD1-CD2 4.48Å; L643-F652 HydrophobicContact CD1-CG 4.44Å; L643-F652 PolarHBondContact N-O 3.08Å; Y648-F652 HydrophobicContact CD1-CD2 4.06Å; Y648-F652 AromaticContact CD1-CE2 3.79Å; Y648-F652 HydrophobicContact CD1-CE2 3.79Å; Y648-F652 HydrophobicContact CD2-CD2 4.25Å; Y648-F652 AromaticContact CG-CD2 3.82Å; Y648-F652 HydrophobicContact CG-CD2 3.82Å; Y648-F652 AromaticContact CG-CE2 3.91Å; Y648-F652 HydrophobicContact CG-CE2 3.91Å; E650-F652 HydrophobicContact CB-CE1 4.37Å; E650-F652 HydrophobicContact CB-CE2 3.9Å; E650-F652 HydrophobicContact CB-CZ 3.74Å; E650-F652 HydrophobicContact CG-CZ 4.43Å; E650-F652 VanDerWaalsContact OE2-CZ 3.26Å; E650-F652 WeakPolarHBondContact OE2-CZ 3.48Å; F652-L664 HydrophobicContact CB-CB 4.37Å; F652-L664 HydrophobicContact CD1-CB 4.21Å; F652-L664 HydrophobicContact CG-CB 4.29Å; F652-Y665 CarbonylContact C-O 3.43Å; F652-Y665 VanDerWaalsContact CA-O 3.27Å; F652-Y665 WeakPolarHBondContact CA-O 3.35Å; F652-N666 HydrophobicContact CD1-CB 4.38Å; F652-N666 HydrophobicContact CE1-CB 4.09Å; F652-R673 HydrophobicContact CD1-CB 4.43Å; F652-R673 HydrophobicContact CE1-CB 3.54Å; F652-R673 HydrophobicContact CE1-CG 3.59Å; F652-R673 HydrophobicContact CZ-CB 4.01Å; F652-R673 HydrophobicContact CZ-CG 4.19Å
653	F	90.2	Very high	83.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	132.5	157	-66.8	-61.2	0	0	0	109.6	L589 W591 F602 L640 L664 Y665 T667 L670	L589-F653 HydrophobicContact CD2-CE1 4.42Å; W591-F653 HydrophobicContact CG-CE1 4.45Å; W591-F653 HydrophobicContact CG-CZ 4.5Å; F602-F653 HydrophobicContact CD2-CE1 4.38Å; F602-F653 HydrophobicContact CD2-CZ 4.02Å; F602-F653 HydrophobicContact CE1-CE2 4.49Å; F602-F653 HydrophobicContact CE1-CZ 4.34Å; F602-F653 HydrophobicContact CE2-CE1 4.33Å; F602-F653 HydrophobicContact CE2-CE2 4.47Å; F602-F653 AromaticContact CE2-CZ 3.61Å; F602-F653 HydrophobicContact CE2-CZ 3.61Å; F602-F653 HydrophobicContact CZ-CE2 4.2Å; F602-F653 AromaticContact CZ-CZ 3.77Å; F602-F653 HydrophobicContact CZ-CZ 3.77Å; L640-F653 HydrophobicContact CD1-CB 4.04Å; L640-F653 HydrophobicContact CD1-CD1 4.08Å; L640-F653 HydrophobicContact CD1-CG 4.27Å; F653-L664 CarbonylContact O-C 3.51Å; F653-L664 VanDerWaalsContact O-CA 3.31Å; F653-L664 WeakPolarHBondContact O-CA 3.24Å; F653-Y665 PolarHBondContact N-O 3.14Å; F653-Y665 PolarHBondContact O-N 3.5Å; F653-T667 HydrophobicContact CD2-CG2 4.03Å; F653-T667 HydrophobicContact CE1-CG2 4.37Å; F653-T667 HydrophobicContact CE2-CG2 3.88Å; F653-T667 HydrophobicContact CG-CG2 4.34Å; F653-T667 HydrophobicContact CZ-CG2 4.05Å; F653-L670 HydrophobicContact CD2-CD2 3.95Å; F653-L670 HydrophobicContact CE2-CD2 3.83Å
654	F	92.8	Very high	84.1	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.1	169.5	171	-79.3	0	0	0	108.7	L640 S641 I662 L664 V688 F717	L640-F654 WeakPolarHBondContact CA-O 3.47Å; S641-F654 PolarHBondContact N-O 2.99Å; S641-F654 PolarHBondContact O-N 3.3Å; F654-I662 HydrophobicContact CD2-CG2 3.58Å; F654-I662 HydrophobicContact CE2-CB 4.13Å; F654-I662 HydrophobicContact CE2-CD1 3.9Å; F654-I662 HydrophobicContact CE2-CG1 3.81Å; F654-I662 HydrophobicContact CE2-CG2 3.22Å; F654-I662 HydrophobicContact CZ-CB 4.46Å; F654-I662 HydrophobicContact CZ-CD1 4.12Å; F654-I662 HydrophobicContact CZ-CG1 3.81Å; F654-I662 HydrophobicContact CZ-CG2 3.94Å; F654-L664 HydrophobicContact CB-CD2 4.3Å; F654-L664 HydrophobicContact CD2-CD2 4.05Å; F654-V688 HydrophobicContact CD1-CB 4.12Å; F654-V688 HydrophobicContact CD1-CG1 4.06Å; F654-V688 HydrophobicContact CD1-CG2 4.38Å; F654-V688 HydrophobicContact CE1-CB 3.69Å; F654-V688 HydrophobicContact CE1-CG1 3.79Å; F654-V688 HydrophobicContact CE1-CG2 3.47Å; F654-V688 VanDerWaalsContact CE1-CG2 3.47Å; F654-V688 HydrophobicContact CE2-CG1 4.47Å; F654-V688 HydrophobicContact CZ-CB 4.26Å; F654-V688 HydrophobicContact CZ-CG1 4.01Å; F654-V688 HydrophobicContact CZ-CG2 3.79Å; F654-F717 HydrophobicContact CD2-CD2 4.5Å; F654-F717 AromaticContact CD2-CE2 3.57Å; F654-F717 HydrophobicContact CD2-CE2 3.57Å; F654-F717 AromaticContact CD2-CZ 3.64Å; F654-F717 HydrophobicContact CD2-CZ 3.64Å; F654-F717 HydrophobicContact CE2-CE1 4.03Å; F654-F717 AromaticContact CE2-CE2 3.82Å; F654-F717 HydrophobicContact CE2-CE2 3.82Å; F654-F717 AromaticContact CE2-CZ 3.4Å; F654-F717 HydrophobicContact CE2-CZ 3.4Å; F654-F717 VanDerWaalsContact CE2-CZ 3.4Å
655	I	94.7	Very high	85	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.1	172.2	-62.2	180	0	0	0	108.9	L604 V631 P637 C639 L640 I662 K663 Y665	L604-I655 HydrophobicContact CD1-CD1 4.18Å; L604-I655 HydrophobicContact CD2-CG2 4.37Å; V631-I655 HydrophobicContact CB-CD1 4.1Å; V631-I655 HydrophobicContact CG1-CD1 3.98Å; V631-I655 HydrophobicContact CG2-CD1 4.28Å; P637-I655 HydrophobicContact CB-CG2 3.95Å; C639-I655 WeakPolarHBondContact O-CA 3.46Å; L640-I655 HydrophobicContact CD1-CD1 4.22Å; L640-I655 HydrophobicContact CD1-CG1 3.77Å; I655-I662 CarbonylContact O-C 3.52Å; I655-I662 WeakPolarHBondContact O-CA 3.39Å; I655-K663 PolarHBondContact N-O 2.83Å; I655-K663 PolarHBondContact O-N 3.27Å; I655-Y665 HydrophobicContact CD1-CD2 3.8Å; I655-Y665 HydrophobicContact CD1-CE2 3.91Å; I655-Y665 HydrophobicContact CG1-CD2 4.29Å
656	S	94.3	Very high	86	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.2	166	-173.7	0	0	0	0	110	L638 C639 K661	L638-S656 PolarHBondContact N-O 2.99Å; C639-S656 PolarHBondContact O-N 3.36Å; S656-K661 WeakPolarHBondContact CA-O 3.25Å
657	N	92.1	Very high	87	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	171.8	-177.5	74.1	19.2	0	0	0	113.7	E632 A635 K636 L638 A659 S660 K661	E632-N657 HydrophobicContact CG-CB 4.38Å; E632-N657 WeakPolarHBondContact OE1-CB 3.21Å; E632-N657 PolarHBondContact OE1-ND2 3.28Å; A635-N657 HydrophobicContact CB-CB 4.03Å; K636-N657 CarbonylContact O-C 3.58Å; K636-N657 VanDerWaalsContact O-CA 3.32Å; K636-N657 WeakPolarHBondContact O-CA 3.37Å; L638-N657 WeakPolarHBondContact CD1-O 3.46Å; N657-A659 PolarHBondContact O-N 3.4Å; N657-A659 VanDerWaalsContact OD1-C 3.32Å; N657-A659 WeakPolarHBondContact OD1-CA 3.27Å; N657-A659 PolarHBondContact OD1-N 2.91Å; N657-S660 PolarHBondContact O-N 2.6Å; N657-S660 VanDerWaalsContact O-N 3.11Å; N657-S660 PolarHBondContact OD1-N 3.45Å; N657-S660 VanDerWaalsContact OD1-N 3.16Å; N657-K661 PolarHBondContact N-O 2.84Å; N657-K661 PolarHBondContact OD1-N 3.46Å; N657-K661 PolarHBondContact OD1-O 3.29Å
658	S	92.1	Very high	87.8	Confident	38 Å²	38	25 Å²	25	27%	0.266	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10	179.1	69.9	0	0	0	0	114.5	K636 Q684	K636-S658 PolarHBondContact N-OG 3.33Å; K636-S658 PolarHBondContact O-N 3.29Å; S658-Q684 PolarHBondContact O-NE2 3.09Å
659	A	87.1	Confident	88.3	Confident	53 Å²	53	26.4 Å²	26.4	44%	0.438	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	12.5	170.4	0	0	0	0	0	111.7	A635 N657 K661	A635-A659 HydrophobicContact CB-CB 3.88Å; N657-A659 PolarHBondContact O-N 3.4Å; N657-A659 VanDerWaalsContact OD1-C 3.32Å; N657-A659 WeakPolarHBondContact OD1-CA 3.27Å; N657-A659 PolarHBondContact OD1-N 2.91Å; A659-K661 HydrophobicContact CB-CG 4.47Å; A659-K661 PolarHBondContact O-N 3.26Å
660	S	88.4	Confident	88.9	Confident	11 Å²	11	20.9 Å²	20.9	8%	0.077	13%	0.127	C	C	.	.	S	Bend	trans	60.8	31.3	178.6	-50.8	0	0	0	0	112.6	N657 S678 G682 I683 Q684	N657-S660 PolarHBondContact O-N 2.6Å; N657-S660 VanDerWaalsContact O-N 3.11Å; N657-S660 PolarHBondContact OD1-N 3.45Å; N657-S660 VanDerWaalsContact OD1-N 3.16Å; S660-S678 VanDerWaalsContact C-OG 3.3Å; S660-S678 WeakPolarHBondContact O-CB 3.17Å; S660-S678 PolarHBondContact O-N 2.76Å; S660-S678 PolarHBondContact O-OG 3.44Å; S660-G682 PolarHBondContact OG-O 3.32Å; S660-I683 WeakPolarHBondContact CB-O 3.45Å; S660-I683 PolarHBondContact OG-O 2.9Å; S660-Q684 WeakPolarHBondContact OG-CG 3.34Å
661	K	87.7	Confident	89.2	Confident	19 Å²	19	21.9 Å²	21.9	8%	0.083	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	150.5	172.2	-53.2	-177	-177.2	-173	0	110.5	S656 N657 A659 T675 V676 E844 L877 D880	S656-K661 WeakPolarHBondContact CA-O 3.25Å; N657-K661 PolarHBondContact N-O 2.84Å; N657-K661 PolarHBondContact OD1-N 3.46Å; N657-K661 PolarHBondContact OD1-O 3.29Å; A659-K661 HydrophobicContact CB-CG 4.47Å; A659-K661 PolarHBondContact O-N 3.26Å; K661-T675 HydrophobicContact CB-CG2 4.27Å; K661-T675 HydrophobicContact CD-CG2 4.12Å; K661-V676 CarbonylContact C-O 3.57Å; K661-V676 WeakPolarHBondContact CA-O 3.34Å; K661-E844 IonicContact NZ-OE1 2.88Å; K661-E844 PolarHBondContact NZ-OE1 3.29Å; K661-L877 HydrophobicContact CD-CD1 3.8Å; K661-D880 WeakPolarHBondContact CE-OD2 3.32Å; K661-D880 IonicContact NZ-OD2 3.94Å; K661-D880 PolarHBondContact NZ-OD2 2.67Å
662	I	90.5	Very high	89.4	Confident	4 Å²	4	20.4 Å²	20.4	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.5	169.6	-66.2	164.9	0	0	0	107.3	F654 I655 L664 T675 V676 Y685 F717	F654-I662 HydrophobicContact CD2-CG2 3.58Å; F654-I662 HydrophobicContact CE2-CB 4.13Å; F654-I662 HydrophobicContact CE2-CD1 3.9Å; F654-I662 HydrophobicContact CE2-CG1 3.81Å; F654-I662 HydrophobicContact CE2-CG2 3.22Å; F654-I662 HydrophobicContact CZ-CB 4.46Å; F654-I662 HydrophobicContact CZ-CD1 4.12Å; F654-I662 HydrophobicContact CZ-CG1 3.81Å; F654-I662 HydrophobicContact CZ-CG2 3.94Å; I655-I662 CarbonylContact O-C 3.52Å; I655-I662 WeakPolarHBondContact O-CA 3.39Å; I662-L664 HydrophobicContact CG2-CD2 4.13Å; I662-T675 CarbonylContact O-C 3.48Å; I662-T675 WeakPolarHBondContact O-CA 3.46Å; I662-V676 PolarHBondContact N-O 2.85Å; I662-V676 PolarHBondContact O-N 3.11Å; I662-Y685 HydrophobicContact CD1-CD2 4.33Å; I662-Y685 HydrophobicContact CD1-CE2 3.9Å; I662-Y685 HydrophobicContact CG1-CD2 4.39Å; I662-Y685 HydrophobicContact CG1-CE2 4.37Å; I662-F717 HydrophobicContact CD1-CD1 4.28Å; I662-F717 HydrophobicContact CD1-CE1 4.1Å
663	K	90.8	Very high	89.3	Confident	13 Å²	13	20.9 Å²	20.9	6%	0.057	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.7	174.7	-68	-177.2	176.7	172.4	0	110.6	E632 I655 Y665 K674 T675	E632-K663 WeakPolarHBondContact OE1-CD 3.5Å; E632-K663 WeakPolarHBondContact OE1-CE 3.24Å; E632-K663 IonicContact OE1-NZ 3.01Å; E632-K663 PolarHBondContact OE1-NZ 2.84Å; E632-K663 VanDerWaalsContact OE1-NZ 3.09Å; E632-K663 IonicContact OE2-NZ 2.7Å; E632-K663 PolarHBondContact OE2-NZ 2.91Å; I655-K663 PolarHBondContact N-O 2.83Å; I655-K663 PolarHBondContact O-N 3.27Å; K663-Y665 HydrophobicContact CB-CD2 4.17Å; K663-Y665 HydrophobicContact CB-CE2 3.56Å; K663-Y665 HydrophobicContact CD-CE2 4.15Å; K663-K674 CarbonylContact C-O 3.51Å; K663-K674 WeakPolarHBondContact CA-O 3.44Å; K663-T675 HydrophobicContact CG-CG2 4.09Å
664	L	91.8	Very high	89.2	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.8	176.1	-55.1	-171.9	0	0	0	109.9	L643 F652 F653 F654 I662 C672 R673 K674 F717	L643-L664 HydrophobicContact CD1-CD1 3.8Å; L643-L664 HydrophobicContact CD1-CD2 3.53Å; L643-L664 HydrophobicContact CD1-CG 4.22Å; F652-L664 HydrophobicContact CB-CB 4.37Å; F652-L664 HydrophobicContact CD1-CB 4.21Å; F652-L664 HydrophobicContact CG-CB 4.29Å; F653-L664 CarbonylContact O-C 3.51Å; F653-L664 VanDerWaalsContact O-CA 3.31Å; F653-L664 WeakPolarHBondContact O-CA 3.24Å; F654-L664 HydrophobicContact CB-CD2 4.3Å; F654-L664 HydrophobicContact CD2-CD2 4.05Å; I662-L664 HydrophobicContact CG2-CD2 4.13Å; L664-C672 CarbonylContact O-C 3.53Å; L664-C672 WeakPolarHBondContact O-CA 3.47Å; L664-R673 PolarHBondContact O-N 3.34Å; L664-K674 HydrophobicContact CB-CB 4.03Å; L664-K674 HydrophobicContact CD1-CB 3.98Å; L664-K674 HydrophobicContact CD1-CD 4.44Å; L664-K674 HydrophobicContact CG-CB 4.06Å; L664-K674 PolarHBondContact N-O 3.22Å; L664-F717 HydrophobicContact CD1-CD2 4.16Å; L664-F717 HydrophobicContact CD2-CD2 4.1Å; L664-F717 HydrophobicContact CD2-CE2 4.35Å
665	Y	91	Very high	88.9	Confident	15 Å²	15	24 Å²	24	6%	0.059	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.1	-179.6	-73.2	-90.4	0	0	0	110.7	V631 F652 F653 I655 K663 T667 L670 M671 C672	V631-Y665 HydrophobicContact CB-CE2 4.26Å; V631-Y665 HydrophobicContact CG1-CE1 4.46Å; V631-Y665 HydrophobicContact CG1-CE2 4.42Å; V631-Y665 PolarHBondContact O-OH 2.76Å; F652-Y665 CarbonylContact C-O 3.43Å; F652-Y665 VanDerWaalsContact CA-O 3.27Å; F652-Y665 WeakPolarHBondContact CA-O 3.35Å; F653-Y665 PolarHBondContact N-O 3.14Å; F653-Y665 PolarHBondContact O-N 3.5Å; I655-Y665 HydrophobicContact CD1-CD2 3.8Å; I655-Y665 HydrophobicContact CD1-CE2 3.91Å; I655-Y665 HydrophobicContact CG1-CD2 4.29Å; K663-Y665 HydrophobicContact CB-CD2 4.17Å; K663-Y665 HydrophobicContact CB-CE2 3.56Å; K663-Y665 HydrophobicContact CD-CE2 4.15Å; Y665-T667 PolarHBondContact O-N 3.27Å; Y665-L670 WeakPolarHBondContact CD1-O 3.48Å; Y665-M671 WeakPolarHBondContact CA-O 3.28Å; Y665-C672 HydrophobicContact CD1-CB 4.08Å; Y665-C672 HydrophobicContact CE1-CB 3.68Å
666	N	88.5	Confident	88.4	Confident	10 Å²	10	24.6 Å²	24.6	5%	0.053	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.8	177.1	179.9	-74.2	0	0	0	110.2	E650 F652 S668 T669 L670 M671 R673	E650-N666 PolarHBondContact OE2-ND2 2.88Å; F652-N666 HydrophobicContact CD1-CB 4.38Å; F652-N666 HydrophobicContact CE1-CB 4.09Å; N666-S668 PolarHBondContact O-N 3.23Å; N666-S668 WeakPolarHBondContact OD1-CA 3.35Å; N666-S668 WeakPolarHBondContact OD1-CB 3.46Å; N666-S668 PolarHBondContact OD1-N 2.95Å; N666-T669 PolarHBondContact OD1-N 3.31Å; N666-L670 WeakPolarHBondContact O-CA 3.48Å; N666-L670 PolarHBondContact O-N 3.1Å; N666-M671 PolarHBondContact N-O 3.26Å; N666-R673 HydrophobicContact CB-CG 4.21Å
667	T	85.3	Confident	87.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.5	-175.2	59.7	0	0	0	0	114.4	R600 E651 F653 Y665	R600-T667 PolarHBondContact NH1-O 3.45Å; E651-T667 HydrophobicContact CB-CG2 3.81Å; E651-T667 WeakPolarHBondContact CB-OG1 3.41Å; E651-T667 PolarHBondContact O-N 3.12Å; E651-T667 PolarHBondContact OE2-OG1 3.45Å; E651-T667 VanDerWaalsContact OE2-OG1 3.08Å; F653-T667 HydrophobicContact CD2-CG2 4.03Å; F653-T667 HydrophobicContact CE1-CG2 4.37Å; F653-T667 HydrophobicContact CE2-CG2 3.88Å; F653-T667 HydrophobicContact CG-CG2 4.34Å; F653-T667 HydrophobicContact CZ-CG2 4.05Å; Y665-T667 PolarHBondContact O-N 3.27Å
668	S	84.1	Confident	87.4	Confident	90 Å²	90	26.4 Å²	26.4	63%	0.629	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-49.1	-177.5	-60.2	0	0	0	0	111.6	N666	N666-S668 PolarHBondContact O-N 3.23Å; N666-S668 WeakPolarHBondContact OD1-CA 3.35Å; N666-S668 WeakPolarHBondContact OD1-CB 3.46Å; N666-S668 PolarHBondContact OD1-N 2.95Å
669	T	85.6	Confident	86.7	Confident	68 Å²	68	26.9 Å²	26.9	42%	0.417	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-15	-176.8	72.5	0	0	0	0	113.8	N666 M671	N666-T669 PolarHBondContact OD1-N 3.31Å; T669-M671 HydrophobicContact CG2-CE 3.88Å; T669-M671 PolarHBondContact O-N 3.4Å; T669-M671 WeakPolarHBondContact OG1-CE 3.2Å; T669-M671 PolarHBondContact OG1-N 3.37Å
670	L	87.7	Confident	86.3	Confident	25 Å²	25	26.5 Å²	26.5	13%	0.131	15%	0.149	C	C	.	.			trans	53.5	24.5	-174.6	-63.7	168.1	0	0	0	113.9	L610 Y629 F653 Y665 N666	L610-L670 HydrophobicContact CD2-CD2 4.25Å; Y629-L670 HydrophobicContact CD1-CB 4.37Å; Y629-L670 HydrophobicContact CD1-CD1 3.72Å; Y629-L670 HydrophobicContact CD2-CD1 3.54Å; Y629-L670 HydrophobicContact CE1-CD1 3.48Å; Y629-L670 VanDerWaalsContact CE1-CD1 3.48Å; Y629-L670 HydrophobicContact CE2-CD1 3.27Å; Y629-L670 HydrophobicContact CG-CD1 3.74Å; F653-L670 HydrophobicContact CD2-CD2 3.95Å; F653-L670 HydrophobicContact CE2-CD2 3.83Å; Y665-L670 WeakPolarHBondContact CD1-O 3.48Å; N666-L670 WeakPolarHBondContact O-CA 3.48Å; N666-L670 PolarHBondContact O-N 3.1Å
671	M	87.3	Confident	85.7	Confident	59 Å²	59	29.3 Å²	29.3	29%	0.291	16%	0.161	S	C	.	.			trans	-87.1	139.1	171.5	-67.5	-172.9	-83.9	0	0	109.3	Y665 N666 T669 R673	Y665-M671 WeakPolarHBondContact CA-O 3.28Å; N666-M671 PolarHBondContact N-O 3.26Å; T669-M671 HydrophobicContact CG2-CE 3.88Å; T669-M671 PolarHBondContact O-N 3.4Å; T669-M671 WeakPolarHBondContact OG1-CE 3.2Å; T669-M671 PolarHBondContact OG1-N 3.37Å; M671-R673 PolarHBondContact O-N 2.79Å
672	C	87.6	Confident	85.3	Confident	2 Å²	2	31 Å²	31	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	127.3	170.3	-168.4	0	0	0	0	108.8	L664 Y665 N847	L664-C672 CarbonylContact O-C 3.53Å; L664-C672 WeakPolarHBondContact O-CA 3.47Å; Y665-C672 HydrophobicContact CD1-CB 4.08Å; Y665-C672 HydrophobicContact CE1-CB 3.68Å; C672-N847 HydrophobicContact CB-CB 4.38Å; C672-N847 WeakPolarHBondContact CB-OD1 3.49Å
673	R	86.8	Confident	85.2	Confident	25 Å²	25	31.7 Å²	31.7	9%	0.094	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-14	177.4	-69.2	-55.7	-172.9	84.9	0.8	113.2	E650 F652 L664 N666 M671 E851	E650-R673 IonicContact OE1-CZ 2.64Å; E650-R673 IonicContact OE1-NH1 3.71Å; E650-R673 PolarHBondContact OE1-NH1 2.9Å; E650-R673 IonicContact OE1-NH2 3.04Å; E650-R673 IonicContact OE2-CZ 3.91Å; E650-R673 IonicContact OE2-NH1 3.27Å; E650-R673 PolarHBondContact OE2-NH1 3.03Å; F652-R673 HydrophobicContact CD1-CB 4.43Å; F652-R673 HydrophobicContact CE1-CB 3.54Å; F652-R673 HydrophobicContact CE1-CG 3.59Å; F652-R673 HydrophobicContact CZ-CB 4.01Å; F652-R673 HydrophobicContact CZ-CG 4.19Å; L664-R673 PolarHBondContact O-N 3.34Å; N666-R673 HydrophobicContact CB-CG 4.21Å; M671-R673 PolarHBondContact O-N 2.79Å; R673-E851 WeakPolarHBondContact O-CA 3.48Å; R673-E851 WeakPolarHBondContact O-CB 2.75Å; R673-E851 WeakPolarHBondContact O-CG 3.44Å
674	K	86.5	Confident	85.2	Confident	47 Å²	47	33.8 Å²	33.8	20%	0.204	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	138	177.4	-159.5	162.6	-167.4	168.6	0	112.6	K663 L664 V676 F717 E851	K663-K674 CarbonylContact C-O 3.51Å; K663-K674 WeakPolarHBondContact CA-O 3.44Å; L664-K674 HydrophobicContact CB-CB 4.03Å; L664-K674 HydrophobicContact CD1-CB 3.98Å; L664-K674 HydrophobicContact CD1-CD 4.44Å; L664-K674 HydrophobicContact CG-CB 4.06Å; L664-K674 PolarHBondContact N-O 3.22Å; K674-V676 HydrophobicContact CD-CG2 4.1Å; K674-V676 HydrophobicContact CG-CG2 3.91Å; K674-F717 WeakPolarHBondContact CD-O 3.27Å; K674-F717 WeakPolarHBondContact CE-O 3.12Å; K674-F717 PolarHBondContact NZ-O 2.92Å; K674-E851 WeakPolarHBondContact CA-OE2 3.35Å
675	T	87.1	Confident	85.4	Confident	19 Å²	19	33.8 Å²	33.8	12%	0.117	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.4	168.9	-54.6	0	0	0	0	110.5	K661 I662 K663 E851 L877	K661-T675 HydrophobicContact CB-CG2 4.27Å; K661-T675 HydrophobicContact CD-CG2 4.12Å; I662-T675 CarbonylContact O-C 3.48Å; I662-T675 WeakPolarHBondContact O-CA 3.46Å; K663-T675 HydrophobicContact CG-CG2 4.09Å; T675-E851 PolarHBondContact N-OE2 3.25Å; T675-L877 HydrophobicContact CG2-CD1 4.12Å
676	V	84.5	Confident	85.6	Confident	13 Å²	13	34.9 Å²	34.9	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.7	-179.2	-171.2	0	0	0	0	109.9	K661 I662 K674 F717 G719	K661-V676 CarbonylContact C-O 3.57Å; K661-V676 WeakPolarHBondContact CA-O 3.34Å; I662-V676 PolarHBondContact N-O 2.85Å; I662-V676 PolarHBondContact O-N 3.11Å; K674-V676 HydrophobicContact CD-CG2 4.1Å; K674-V676 HydrophobicContact CG-CG2 3.91Å; V676-F717 HydrophobicContact CG2-CB 4.27Å; V676-G719 VanDerWaalsContact CG1-CA 3.46Å
677	S	82.1	Confident	85.9	Confident	39 Å²	39	37.8 Å²	37.8	27%	0.273	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144.7	173.1	-163.4	0	0	0	0	111.4	L877	S677-L877 VanDerWaalsContact N-CD2 3.28Å
678	S	83.2	Confident	86.3	Confident	1 Å²	1	38 Å²	38	1%	0.007	22%	0.219	C	C	.	.			trans	-75.1	148	174.2	-54.2	0	0	0	0	110.6	S660 I683 Y685	S660-S678 VanDerWaalsContact C-OG 3.3Å; S660-S678 WeakPolarHBondContact O-CB 3.17Å; S660-S678 PolarHBondContact O-N 2.76Å; S660-S678 PolarHBondContact O-OG 3.44Å; S678-I683 VanDerWaalsContact CB-O 3.23Å; S678-I683 WeakPolarHBondContact CB-O 3.47Å; S678-Y685 VanDerWaalsContact CB-CE2 3.49Å; S678-Y685 WeakPolarHBondContact OG-CE2 3.03Å
679	F	76.6	Confident	86.8	Confident	47 Å²	47	36.6 Å²	36.6	21%	0.206	20%	0.204	C	C	.	.	S	Bend	trans	-124.5	147.6	179.4	-107.9	-85.4	0	0	0	112.5	Q681 Y685 P721 Y724	F679-Q681 HydrophobicContact CE1-CG 4.02Å; F679-Q681 HydrophobicContact CE2-CG 4.48Å; F679-Q681 HydrophobicContact CZ-CG 3.99Å; F679-Y685 PolarHBondContact N-OH 2.98Å; F679-Y685 PolarHBondContact O-OH 2.94Å; F679-P721 HydrophobicContact CD1-CB 3.9Å; F679-P721 HydrophobicContact CE1-CB 3.72Å; F679-P721 HydrophobicContact CE1-CG 4.46Å; F679-P721 HydrophobicContact CE2-CB 4.32Å; F679-P721 HydrophobicContact CG-CB 4.3Å; F679-P721 HydrophobicContact CZ-CB 3.93Å; F679-P721 HydrophobicContact CZ-CG 4.28Å; F679-Y724 HydrophobicContact CB-CD1 4.28Å; F679-Y724 HydrophobicContact CB-CD2 4.4Å; F679-Y724 HydrophobicContact CB-CG 4.07Å; F679-Y724 VanDerWaalsContact O-CE1 3.26Å; F679-Y724 WeakPolarHBondContact O-CE1 3.4Å; F679-Y724 WeakPolarHBondContact O-CE2 3.28Å; F679-Y724 PolarHBondContact O-OH 3.46Å
680	P	78.9	Confident	87.1	Confident	45 Å²	45	35.4 Å²	35.4	29%	0.292	20%	0.197	S	C	.	.	S	Bend	cis	-41.2	152.2	-25.3	-25.1	17.7	0	0	0	112.9	I683 Y724	P680-I683 HydrophobicContact CB-CD1 3.71Å; P680-I683 HydrophobicContact CB-CG1 4.23Å; P680-I683 VanDerWaalsContact CD-CD1 3.42Å; P680-I683 HydrophobicContact CG-CD1 3.56Å; P680-I683 VanDerWaalsContact O-CB 3.27Å; P680-I683 WeakPolarHBondContact O-CB 3.17Å; P680-I683 VanDerWaalsContact O-CG1 3.25Å; P680-I683 WeakPolarHBondContact O-CG1 3.38Å; P680-I683 PolarHBondContact O-N 2.95Å; P680-Y724 HydrophobicContact CG-CE1 4.24Å
681	Q	75.7	Confident	87.2	Confident	71 Å²	71	34.5 Å²	34.5	33%	0.332	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	143.2	-177.1	-61.3	174.4	0.3	0	0	110.9	F679 I683 K879	F679-Q681 HydrophobicContact CE1-CG 4.02Å; F679-Q681 HydrophobicContact CE2-CG 4.48Å; F679-Q681 HydrophobicContact CZ-CG 3.99Å; Q681-I683 PolarHBondContact O-N 3.32Å; Q681-K879 HydrophobicContact CB-CD 4.48Å
682	G	79.3	Confident	86.8	Confident	54 Å²	54	36.2 Å²	36.2	56%	0.557	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-7.8	-179.6	0	0	0	0	0	114.8	S660 Q684	S660-G682 PolarHBondContact OG-O 3.32Å; G682-Q684 PolarHBondContact O-N 3.5Å
683	I	87.9	Confident	85.9	Confident	19 Å²	19	38.4 Å²	38.4	10%	0.097	22%	0.217	C	C	.	.			trans	-68.7	133.6	176.7	-69.3	-177.7	0	0	0	111.8	S660 S678 P680 Q681 Y685	S660-I683 WeakPolarHBondContact CB-O 3.45Å; S660-I683 PolarHBondContact OG-O 2.9Å; S678-I683 VanDerWaalsContact CB-O 3.23Å; S678-I683 WeakPolarHBondContact CB-O 3.47Å; P680-I683 HydrophobicContact CB-CD1 3.71Å; P680-I683 HydrophobicContact CB-CG1 4.23Å; P680-I683 VanDerWaalsContact CD-CD1 3.42Å; P680-I683 HydrophobicContact CG-CD1 3.56Å; P680-I683 VanDerWaalsContact O-CB 3.27Å; P680-I683 WeakPolarHBondContact O-CB 3.17Å; P680-I683 VanDerWaalsContact O-CG1 3.25Å; P680-I683 WeakPolarHBondContact O-CG1 3.38Å; P680-I683 PolarHBondContact O-N 2.95Å; Q681-I683 PolarHBondContact O-N 3.32Å; I683-Y685 HydrophobicContact CG2-CD1 3.83Å; I683-Y685 HydrophobicContact CG2-CE1 3.6Å
684	Q	92.6	Very high	84.8	Confident	56 Å²	56	38.5 Å²	38.5	26%	0.262	22%	0.219	S	C	.	.			trans	-105.3	111.9	174.5	-70.7	174.2	-3.9	0	0	109.4	L638 S658 S660 G682 T686 S706	L638-Q684 HydrophobicContact CD1-CB 3.62Å; L638-Q684 HydrophobicContact CD1-CG 4.11Å; S658-Q684 PolarHBondContact O-NE2 3.09Å; S660-Q684 WeakPolarHBondContact OG-CG 3.34Å; G682-Q684 PolarHBondContact O-N 3.5Å; Q684-T686 PolarHBondContact O-N 3.27Å; Q684-S706 WeakPolarHBondContact O-CA 3.49Å; Q684-S706 VanDerWaalsContact O-CB 3.23Å; Q684-S706 WeakPolarHBondContact O-CB 3.43Å
685	Y	94.7	Very high	83.5	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.8	176.3	-54.9	-60.1	0	0	0	110.5	L638 C639 I662 S678 F679 I683 V688 C704 I713 Y724	L638-Y685 WeakPolarHBondContact CB-O 3.24Å; C639-Y685 PolarHBondContact SG-O 3.05Å; C639-Y685 VanDerWaalsContact SG-O 3.4Å; I662-Y685 HydrophobicContact CD1-CD2 4.33Å; I662-Y685 HydrophobicContact CD1-CE2 3.9Å; I662-Y685 HydrophobicContact CG1-CD2 4.39Å; I662-Y685 HydrophobicContact CG1-CE2 4.37Å; S678-Y685 VanDerWaalsContact CB-CE2 3.49Å; S678-Y685 WeakPolarHBondContact OG-CE2 3.03Å; F679-Y685 PolarHBondContact N-OH 2.98Å; F679-Y685 PolarHBondContact O-OH 2.94Å; I683-Y685 HydrophobicContact CG2-CD1 3.83Å; I683-Y685 HydrophobicContact CG2-CE1 3.6Å; Y685-V688 HydrophobicContact CG-CG2 4.38Å; Y685-C704 HydrophobicContact CD1-CB 3.5Å; Y685-C704 HydrophobicContact CE1-CB 3.7Å; Y685-C704 HydrophobicContact CG-CB 3.95Å; Y685-I713 HydrophobicContact CE2-CD1 4.1Å; Y685-Y724 HydrophobicContact CE1-CE2 4.41Å; Y685-Y724 WeakPolarHBondContact OH-CE2 3.49Å
686	T	94.4	Very high	82.2	Confident	39 Å²	39	47.2 Å²	47.2	24%	0.239	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-24.9	-177.8	61.1	0	0	0	0	112.9	C639 Q684 L705 K707	C639-T686 WeakPolarHBondContact CB-O 3.27Å; Q684-T686 PolarHBondContact O-N 3.27Å; T686-L705 PolarHBondContact N-O 3.09Å; T686-L705 PolarHBondContact OG1-O 3.41Å; T686-K707 HydrophobicContact CG2-CG 4.04Å
687	K	95.2	Very high	81.1	Confident	71 Å²	71	47.4 Å²	47.4	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.9	173	-68.9	-170	169.3	-179.3	0	109.7	L705 Q741 L743	K687-L705 HydrophobicContact CB-CB 4.36Å; K687-L705 PolarHBondContact N-O 3.24Å; K687-L705 VanDerWaalsContact N-O 3.13Å; K687-L705 PolarHBondContact O-N 3.37Å; K687-Q741 WeakPolarHBondContact CE-O 3.39Å; K687-Q741 PolarHBondContact NZ-O 3.42Å; K687-L743 HydrophobicContact CB-CB 4.01Å; K687-L743 HydrophobicContact CB-CD2 4.16Å; K687-L743 HydrophobicContact CD-CB 4.17Å
688	V	95.2	Very high	80.5	Confident	6 Å²	6	50 Å²	50	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130	179.6	175.9	0	0	0	0	109.5	S641 F654 Y685 M702 V703 C704	S641-V688 VanDerWaalsContact CB-O 3.24Å; S641-V688 WeakPolarHBondContact CB-O 3.36Å; S641-V688 PolarHBondContact OG-O 2.93Å; F654-V688 HydrophobicContact CD1-CB 4.12Å; F654-V688 HydrophobicContact CD1-CG1 4.06Å; F654-V688 HydrophobicContact CD1-CG2 4.38Å; F654-V688 HydrophobicContact CE1-CB 3.69Å; F654-V688 HydrophobicContact CE1-CG1 3.79Å; F654-V688 HydrophobicContact CE1-CG2 3.47Å; F654-V688 VanDerWaalsContact CE1-CG2 3.47Å; F654-V688 HydrophobicContact CE2-CG1 4.47Å; F654-V688 HydrophobicContact CZ-CB 4.26Å; F654-V688 HydrophobicContact CZ-CG1 4.01Å; F654-V688 HydrophobicContact CZ-CG2 3.79Å; Y685-V688 HydrophobicContact CG-CG2 4.38Å; V688-M702 HydrophobicContact CG1-CB 4.27Å; V688-M702 HydrophobicContact CG1-CE 3.48Å; V688-M702 VanDerWaalsContact CG1-CE 3.48Å; V688-V703 WeakPolarHBondContact CA-O 3.08Å; V688-C704 HydrophobicContact CG2-CB 3.94Å
689	L	94.2	Very high	80.5	Confident	60 Å²	60	51 Å²	51	31%	0.314	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.1	-179.2	-67.6	177.6	0	0	0	110.7	V703 L743 I745	L689-V703 PolarHBondContact N-O 3.25Å; L689-V703 PolarHBondContact O-N 3.28Å; L689-L743 HydrophobicContact CB-CD2 4.43Å; L689-L743 HydrophobicContact CD1-CD2 4.18Å; L689-L743 HydrophobicContact CD1-CG 4.01Å; L689-L743 HydrophobicContact CG-CD2 4.15Å; L689-I745 HydrophobicContact CB-CD1 3.56Å; L689-I745 HydrophobicContact CB-CG1 4.21Å; L689-I745 HydrophobicContact CD1-CD1 4.39Å; L689-I745 HydrophobicContact CD1-CG1 4.13Å
690	P	92.1	Very high	81.1	Confident	43 Å²	43	51.7 Å²	51.7	28%	0.279	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135	174.1	28.5	-33.3	0	0	0	110.9	P644 M702	P644-P690 HydrophobicContact CG-CB 3.98Å; P690-M702 VanDerWaalsContact CA-SD 3.53Å; P690-M702 HydrophobicContact CB-CE 4.19Å; P690-M702 HydrophobicContact CB-SD 3.81Å
691	L	90	Very high	81.7	Confident	6 Å²	6	49.7 Å²	49.7	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.9	172.3	-169.2	63.7	0	0	0	109.2	S693 F701 V703 L712 I745 L767 P769	L691-S693 PolarHBondContact O-N 2.81Å; L691-F701 HydrophobicContact CB-CB 4.01Å; L691-F701 WeakPolarHBondContact CB-O 3.18Å; L691-F701 HydrophobicContact CD2-CB 3.94Å; L691-F701 HydrophobicContact CD2-CG 4.46Å; L691-F701 PolarHBondContact N-O 2.89Å; L691-V703 HydrophobicContact CB-CG2 4.27Å; L691-V703 HydrophobicContact CD1-CG2 4.06Å; L691-L712 HydrophobicContact CD2-CD1 4.04Å; L691-I745 HydrophobicContact CD1-CD1 4.36Å; L691-I745 HydrophobicContact CD1-CG2 3.84Å; L691-L767 HydrophobicContact CD1-CD1 3.64Å; L691-P769 HydrophobicContact CD2-CB 4.35Å; L691-P769 HydrophobicContact CD2-CG 4.11Å
692	I	78.7	Confident	82.6	Confident	94 Å²	94	46.3 Å²	46.3	48%	0.482	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-63.7	123.2	174.8	-60	167.4	0	0	0	108	Q694 R747	I692-Q694 PolarHBondContact O-N 2.96Å; I692-R747 VanDerWaalsContact CD1-O 3.26Å; I692-R747 WeakPolarHBondContact CD1-O 3.35Å
693	S	67.7	Low	83.3	Confident	49 Å²	49	43.8 Å²	43.8	34%	0.343	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-61.7	123.1	-178.4	-172.3	0	0	0	0	110.3	L691	L691-S693 PolarHBondContact O-N 2.81Å
694	Q	64.8	Low	83.7	Confident	26 Å²	26	42.9 Å²	42.9	12%	0.121	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-74	147.4	173.4	-58.8	174.6	4.6	0	0	108.2	I692 N696 N697 G749	I692-Q694 PolarHBondContact O-N 2.96Å; Q694-N696 PolarHBondContact O-N 2.68Å; Q694-N697 PolarHBondContact O-N 3.04Å; Q694-G749 PolarHBondContact NE2-O 3.14Å
695	T	58.9	Low	83.9	Confident	145 Å²	145	40.2 Å²	40.2	89%	0.89	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-14.7	-171.8	56.8	0	0	0	0	116
696	N	59.8	Low	83.9	Confident	104 Å²	104	40.5 Å²	40.5	56%	0.556	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-0	-173.9	-63.4	-12.7	0	0	0	113.8	Q694 R770	Q694-N696 PolarHBondContact O-N 2.68Å; N696-R770 VanDerWaalsContact CB-NH2 3.26Å; N696-R770 PolarHBondContact ND2-NH2 3.32Å
697	N	60.3	Low	83.9	Confident	18 Å²	18	42.1 Å²	42.1	10%	0.096	23%	0.233	C	C	.	.			trans	-89.9	131.2	-179.6	-62.7	-6	0	0	0	109.2	Q694 S699 F701 P769 R770	Q694-N697 PolarHBondContact O-N 3.04Å; N697-S699 VanDerWaalsContact C-N 3.35Å; N697-F701 HydrophobicContact CB-CE2 4.45Å; N697-P769 WeakPolarHBondContact ND2-CG 3.02Å; N697-R770 WeakPolarHBondContact OD1-CG 3.48Å; N697-R770 PolarHBondContact OD1-NE 2.86Å
698	S	71.2	Confident	83.8	Confident	94 Å²	94	39.3 Å²	39.3	66%	0.657	22%	0.221	S	C	*	.	S	Bend	trans	-81.7	-22.1	173.5	80.9	0	0	0	0	112.1	E773	S698-E773 WeakPolarHBondContact CB-OE1 3.21Å; S698-E773 PolarHBondContact N-OE1 2.88Å; S698-E773 PolarHBondContact OG-OE1 3.45Å
699	S	83.1	Confident	83.7	Confident	21 Å²	21	42.3 Å²	42.3	15%	0.147	23%	0.232	C	C	.	.	S	Bend	trans	-105.7	157.4	-177.7	-63.6	0	0	0	0	113.2	N697 F701	N697-S699 VanDerWaalsContact C-N 3.35Å; S699-F701 WeakPolarHBondContact O-CD2 3.46Å; S699-F701 WeakPolarHBondContact O-CE2 3.17Å
700	Y	88.6	Confident	83.9	Confident	62 Å²	62	39.5 Å²	39.5	24%	0.243	22%	0.217	C	C	.	.			trans	-99.5	155.3	172.3	-62.8	-83.6	0	0	0	110.7	P644 S646 C647 L715	P644-Y700 HydrophobicContact CB-CD1 4.12Å; S646-Y700 WeakPolarHBondContact CB-OH 3.36Å; S646-Y700 WeakPolarHBondContact OG-CE1 3.47Å; S646-Y700 PolarHBondContact OG-OH 3.13Å; C647-Y700 HydrophobicContact CB-CD2 3.74Å; C647-Y700 HydrophobicContact CB-CE2 4.47Å; C647-Y700 HydrophobicContact CB-CG 4.18Å; Y700-L715 WeakPolarHBondContact O-CB 3.32Å; Y700-L715 PolarHBondContact O-N 2.9Å
701	F	91.8	Very high	84	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.9	-175.4	-58.2	-98.3	0	0	0	112	L691 N697 S699 L712 I713 M714 P769 L772	L691-F701 HydrophobicContact CB-CB 4.01Å; L691-F701 WeakPolarHBondContact CB-O 3.18Å; L691-F701 HydrophobicContact CD2-CB 3.94Å; L691-F701 HydrophobicContact CD2-CG 4.46Å; L691-F701 PolarHBondContact N-O 2.89Å; N697-F701 HydrophobicContact CB-CE2 4.45Å; S699-F701 WeakPolarHBondContact O-CD2 3.46Å; S699-F701 WeakPolarHBondContact O-CE2 3.17Å; F701-L712 HydrophobicContact CB-CD1 3.8Å; F701-L712 HydrophobicContact CB-CG 4.47Å; F701-L712 HydrophobicContact CD1-CD1 4.29Å; F701-L712 HydrophobicContact CD1-CD2 4.18Å; F701-L712 HydrophobicContact CD1-CG 4.07Å; F701-L712 HydrophobicContact CG-CD1 4.35Å; F701-I713 CarbonylContact C-O 3.54Å; F701-I713 WeakPolarHBondContact CA-O 3.37Å; F701-M714 HydrophobicContact CD1-CB 3.83Å; F701-M714 HydrophobicContact CD1-CG 4.03Å; F701-M714 HydrophobicContact CE1-CB 3.59Å; F701-M714 HydrophobicContact CE1-CG 3.49Å; F701-M714 VanDerWaalsContact CE1-CG 3.49Å; F701-M714 HydrophobicContact CE1-SD 3.93Å; F701-M714 HydrophobicContact CZ-CB 4.42Å; F701-M714 HydrophobicContact CZ-CG 3.83Å; F701-M714 HydrophobicContact CZ-SD 3.95Å; F701-P769 HydrophobicContact CD1-CB 3.9Å; F701-P769 HydrophobicContact CD2-CB 3.69Å; F701-P769 HydrophobicContact CD2-CG 4.44Å; F701-P769 HydrophobicContact CE1-CB 3.73Å; F701-P769 HydrophobicContact CE2-CB 3.55Å; F701-P769 HydrophobicContact CE2-CG 4.36Å; F701-P769 HydrophobicContact CG-CB 3.9Å; F701-P769 HydrophobicContact CZ-CB 3.57Å; F701-L772 HydrophobicContact CD1-CD2 4.35Å; F701-L772 HydrophobicContact CE1-CB 4.36Å; F701-L772 HydrophobicContact CE1-CD2 4.11Å
702	M	93.2	Very high	84.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	170.2	-60.2	-65.8	-65.2	0	0	109.1	L643 V688 P690 I713 L715 F717	L643-M702 HydrophobicContact CD2-CG 4.21Å; L643-M702 HydrophobicContact CD2-SD 3.9Å; V688-M702 HydrophobicContact CG1-CB 4.27Å; V688-M702 HydrophobicContact CG1-CE 3.48Å; V688-M702 VanDerWaalsContact CG1-CE 3.48Å; P690-M702 VanDerWaalsContact CA-SD 3.53Å; P690-M702 HydrophobicContact CB-CE 4.19Å; P690-M702 HydrophobicContact CB-SD 3.81Å; M702-I713 PolarHBondContact N-O 2.99Å; M702-I713 PolarHBondContact O-N 2.81Å; M702-L715 HydrophobicContact CG-CD1 4.07Å; M702-L715 HydrophobicContact CG-CD2 3.94Å; M702-L715 HydrophobicContact CG-CG 4.19Å; M702-L715 HydrophobicContact SD-CD1 4.31Å; M702-F717 HydrophobicContact CB-CZ 4.24Å; M702-F717 HydrophobicContact CG-CE2 4.2Å; M702-F717 HydrophobicContact CG-CZ 3.75Å
703	V	95.5	Very high	84.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.9	171.8	-175.4	0	0	0	0	108	V688 L689 L691 L710 G711 L712 L743 I745 A752 L767	V688-V703 WeakPolarHBondContact CA-O 3.08Å; L689-V703 PolarHBondContact N-O 3.25Å; L689-V703 PolarHBondContact O-N 3.28Å; L691-V703 HydrophobicContact CB-CG2 4.27Å; L691-V703 HydrophobicContact CD1-CG2 4.06Å; V703-L710 HydrophobicContact CG1-CD1 3.45Å; V703-L710 VanDerWaalsContact CG1-CD1 3.45Å; V703-L710 HydrophobicContact CG1-CG 4.45Å; V703-G711 WeakPolarHBondContact CA-O 3.47Å; V703-L712 HydrophobicContact CG2-CD1 4.04Å; V703-L743 HydrophobicContact CG1-CD1 4.07Å; V703-L743 HydrophobicContact CG1-CD2 4.36Å; V703-I745 HydrophobicContact CB-CD1 3.82Å; V703-I745 HydrophobicContact CB-CG1 4.46Å; V703-I745 HydrophobicContact CG2-CD1 3.61Å; V703-I745 HydrophobicContact CG2-CG1 4.33Å; V703-A752 HydrophobicContact CG1-CB 4.38Å; V703-L767 HydrophobicContact CG2-CD1 3.92Å
704	C	95.4	Very high	85.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.4	-173.1	-53.8	0	0	0	0	110	Y685 V688 L710 G711 I713	Y685-C704 HydrophobicContact CD1-CB 3.5Å; Y685-C704 HydrophobicContact CE1-CB 3.7Å; Y685-C704 HydrophobicContact CG-CB 3.95Å; V688-C704 HydrophobicContact CG2-CB 3.94Å; C704-L710 CarbonylContact O-C 3.57Å; C704-G711 PolarHBondContact N-O 3.31Å; C704-G711 PolarHBondContact O-N 3.41Å; C704-I713 HydrophobicContact CB-CD1 4.42Å; C704-I713 WeakPolarHBondContact SG-CD1 3.13Å
705	L	97.1	Very high	87.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121	176.1	-179.9	66.3	0	0	0	109.1	T686 K687 R709 A729 A740 G742 L743 T754	T686-L705 PolarHBondContact N-O 3.09Å; T686-L705 PolarHBondContact OG1-O 3.41Å; K687-L705 HydrophobicContact CB-CB 4.36Å; K687-L705 PolarHBondContact N-O 3.24Å; K687-L705 VanDerWaalsContact N-O 3.13Å; K687-L705 PolarHBondContact O-N 3.37Å; L705-R709 WeakPolarHBondContact CA-O 3.33Å; L705-A729 HydrophobicContact CD1-CB 4.31Å; L705-A740 HydrophobicContact CD1-CB 3.93Å; L705-A740 HydrophobicContact CD2-CB 4.08Å; L705-A740 HydrophobicContact CG-CB 4.22Å; L705-G742 WeakPolarHBondContact CD2-O 3.33Å; L705-L743 HydrophobicContact CB-CB 4.16Å; L705-L743 HydrophobicContact CB-CD1 4.36Å; L705-L743 HydrophobicContact CB-CD2 3.95Å; L705-L743 HydrophobicContact CB-CG 4.37Å; L705-L743 HydrophobicContact CD2-CB 3.82Å; L705-T754 HydrophobicContact CD1-CG2 3.99Å; L705-T754 HydrophobicContact CD2-CG2 4.49Å
706	S	94.9	Very high	88.4	Confident	9 Å²	9	26 Å²	26	6%	0.063	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-173.5	165.9	77.3	0	0	0	0	110.5	Q684 E708 R709	Q684-S706 WeakPolarHBondContact O-CA 3.49Å; Q684-S706 VanDerWaalsContact O-CB 3.23Å; Q684-S706 WeakPolarHBondContact O-CB 3.43Å; S706-E708 PolarHBondContact O-N 3.08Å; S706-E708 PolarHBondContact OG-N 3.47Å; S706-R709 PolarHBondContact N-O 2.95Å; S706-R709 PolarHBondContact OG-N 3.24Å; S706-R709 PolarHBondContact OG-O 2.89Å
707	K	93.2	Very high	89.5	Confident	73 Å²	73	21.4 Å²	21.4	32%	0.317	11%	0.113	S	C	.	.	S	Bend	trans	-57	-17.2	173.7	-67.4	174.9	173.3	169	0	114.1	T686 Q739 A740	T686-K707 HydrophobicContact CG2-CG 4.04Å; K707-Q739 HydrophobicContact CB-CB 4.16Å; K707-Q739 HydrophobicContact CB-CG 4.07Å; K707-Q739 HydrophobicContact CD-CG 4.32Å; K707-Q739 VanDerWaalsContact CE-OE1 3.28Å; K707-Q739 HydrophobicContact CG-CB 4.39Å; K707-Q739 HydrophobicContact CG-CG 4.23Å; K707-Q739 WeakPolarHBondContact O-CA 3.43Å; K707-A740 PolarHBondContact O-N 2.82Å
708	E	93.1	Very high	90.4	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.061	11%	0.111	C	C	.	.	S	Bend	trans	-140.3	-36.1	-175.3	174.8	171.4	145.3	0	0	114.4	S706 I728 A729 H730 S732 R735	S706-E708 PolarHBondContact O-N 3.08Å; S706-E708 PolarHBondContact OG-N 3.47Å; E708-I728 HydrophobicContact CG-CG2 3.92Å; E708-A729 WeakPolarHBondContact O-CA 3.48Å; E708-A729 WeakPolarHBondContact O-CB 3.1Å; E708-A729 PolarHBondContact O-N 2.8Å; E708-H730 WeakPolarHBondContact CA-O 3.11Å; E708-H730 WeakPolarHBondContact CG-O 3.22Å; E708-H730 PolarHBondContact O-N 2.77Å; E708-H730 VanDerWaalsContact O-N 3.07Å; E708-S732 PolarHBondContact OE2-N 2.93Å; E708-S732 PolarHBondContact OE2-OG 3.13Å; E708-R735 WeakPolarHBondContact OE1-CD 3.49Å; E708-R735 IonicContact OE1-NE 2.77Å
709	R	95	Very high	90.6	Very high	69 Å²	69	17.6 Å²	17.6	26%	0.26	9%	0.09	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.4	-167.5	-68.6	174.8	163.1	89.2	-4.3	112	L705 S706 N726 I727 I728	L705-R709 WeakPolarHBondContact CA-O 3.33Å; S706-R709 PolarHBondContact N-O 2.95Å; S706-R709 PolarHBondContact OG-N 3.24Å; S706-R709 PolarHBondContact OG-O 2.89Å; R709-N726 VanDerWaalsContact CD-OD1 3.3Å; R709-N726 WeakPolarHBondContact CD-OD1 3.04Å; R709-N726 PolarHBondContact NE-OD1 3.23Å; R709-I727 CarbonylContact C-O 3.59Å; R709-I727 WeakPolarHBondContact CA-O 3.28Å; R709-I727 WeakPolarHBondContact CB-O 3.3Å; R709-I728 HydrophobicContact CG-CG1 4.35Å
710	L	96.9	Very high	90.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.7	165.5	178.9	67.8	0	0	0	108.6	I77 V703 C704 N726 I727 A729 L743 A752 T754 W765	I77-L710 HydrophobicContact CG2-CD2 3.95Å; V703-L710 HydrophobicContact CG1-CD1 3.45Å; V703-L710 VanDerWaalsContact CG1-CD1 3.45Å; V703-L710 HydrophobicContact CG1-CG 4.45Å; C704-L710 CarbonylContact O-C 3.57Å; L710-N726 CarbonylContact O-C 3.56Å; L710-N726 WeakPolarHBondContact O-CA 3.13Å; L710-N726 WeakPolarHBondContact O-CB 3.03Å; L710-I727 HydrophobicContact CB-CG2 4.09Å; L710-I727 PolarHBondContact N-O 3.15Å; L710-I727 PolarHBondContact O-N 3.5Å; L710-A729 HydrophobicContact CB-CB 3.86Å; L710-L743 HydrophobicContact CD1-CD1 3.78Å; L710-A752 HydrophobicContact CD2-CB 4.21Å; L710-T754 HydrophobicContact CD1-CG2 4.11Å; L710-T754 HydrophobicContact CD2-CG2 4.26Å; L710-W765 HydrophobicContact CD2-CB 3.88Å; L710-W765 VanDerWaalsContact CD2-CD1 3.49Å; L710-W765 HydrophobicContact CD2-CD2 3.91Å; L710-W765 HydrophobicContact CD2-CG 3.46Å; L710-W765 VanDerWaalsContact CD2-CG 3.46Å
711	G	94.9	Very high	89.8	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	153	-179.4	0	0	0	0	0	112.3	V703 C704 T725	V703-G711 WeakPolarHBondContact CA-O 3.47Å; C704-G711 PolarHBondContact N-O 3.31Å; C704-G711 PolarHBondContact O-N 3.41Å; G711-T725 CarbonylContact C-O 3.55Å; G711-T725 VanDerWaalsContact CA-O 3.23Å; G711-T725 WeakPolarHBondContact CA-O 3.42Å
712	L	94.1	Very high	89.4	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.2	171.7	-178	74.4	0	0	0	108.2	I77 L691 F701 V703 T725 P769 L772	I77-L712 HydrophobicContact CD1-CB 3.91Å; I77-L712 HydrophobicContact CG1-CB 4.31Å; L691-L712 HydrophobicContact CD2-CD1 4.04Å; F701-L712 HydrophobicContact CB-CD1 3.8Å; F701-L712 HydrophobicContact CB-CG 4.47Å; F701-L712 HydrophobicContact CD1-CD1 4.29Å; F701-L712 HydrophobicContact CD1-CD2 4.18Å; F701-L712 HydrophobicContact CD1-CG 4.07Å; F701-L712 HydrophobicContact CG-CD1 4.35Å; V703-L712 HydrophobicContact CG2-CD1 4.04Å; L712-T725 HydrophobicContact CB-CG2 3.87Å; L712-T725 HydrophobicContact CD2-CG2 4.41Å; L712-T725 PolarHBondContact N-O 2.79Å; L712-T725 PolarHBondContact O-N 2.68Å; L712-P769 HydrophobicContact CD2-CB 4Å; L712-L772 HydrophobicContact CD2-CD2 4.32Å; L712-L772 HydrophobicContact CG-CD2 4.42Å
713	I	91.7	Very high	89.1	Confident	13 Å²	13	19.2 Å²	19.2	7%	0.067	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.6	-177.2	-39.4	-164.9	0	0	0	109.1	Y685 F701 M702 C704 F717 K723 Y724	Y685-I713 HydrophobicContact CE2-CD1 4.1Å; F701-I713 CarbonylContact C-O 3.54Å; F701-I713 WeakPolarHBondContact CA-O 3.37Å; M702-I713 PolarHBondContact N-O 2.99Å; M702-I713 PolarHBondContact O-N 2.81Å; C704-I713 HydrophobicContact CB-CD1 4.42Å; C704-I713 WeakPolarHBondContact SG-CD1 3.13Å; I713-F717 HydrophobicContact CB-CE1 4.15Å; I713-F717 HydrophobicContact CD1-CE1 4.07Å; I713-F717 HydrophobicContact CG2-CD1 4Å; I713-F717 HydrophobicContact CG2-CE1 3.74Å; I713-K723 CarbonylContact C-O 3.6Å; I713-K723 WeakPolarHBondContact CA-O 3.37Å; I713-Y724 HydrophobicContact CD1-CD2 3.86Å; I713-Y724 HydrophobicContact CD1-CE2 3.96Å; I713-Y724 HydrophobicContact CG1-CD2 3.64Å; I713-Y724 HydrophobicContact CG1-CE2 3.89Å
714	M	91.1	Very high	88.8	Confident	9 Å²	9	20.4 Å²	20.4	4%	0.044	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.7	173.4	-166.9	171.7	78.2	0	0	110.4	F701 K723 L772 E773 V776	F701-M714 HydrophobicContact CD1-CB 3.83Å; F701-M714 HydrophobicContact CD1-CG 4.03Å; F701-M714 HydrophobicContact CE1-CB 3.59Å; F701-M714 HydrophobicContact CE1-CG 3.49Å; F701-M714 VanDerWaalsContact CE1-CG 3.49Å; F701-M714 HydrophobicContact CE1-SD 3.93Å; F701-M714 HydrophobicContact CZ-CB 4.42Å; F701-M714 HydrophobicContact CZ-CG 3.83Å; F701-M714 HydrophobicContact CZ-SD 3.95Å; M714-K723 HydrophobicContact CB-CB 4.01Å; M714-K723 HydrophobicContact CB-CD 4.36Å; M714-K723 HydrophobicContact CB-CG 4.36Å; M714-K723 HydrophobicContact CE-CD 3.84Å; M714-K723 HydrophobicContact CE-CG 3.86Å; M714-K723 PolarHBondContact N-O 3.09Å; M714-L772 HydrophobicContact CB-CD2 4.14Å; M714-E773 HydrophobicContact SD-CB 4.29Å; M714-E773 HydrophobicContact SD-CG 4.46Å; M714-V776 HydrophobicContact CE-CB 3.89Å; M714-V776 HydrophobicContact CE-CG1 3.76Å; M714-V776 HydrophobicContact CE-CG2 3.78Å
715	L	89	Confident	88.6	Confident	5 Å²	5	22.3 Å²	22.3	3%	0.026	12%	0.118	C	C	.	.	S	Bend	trans	-88.3	156.7	177.8	-63	179.9	0	0	0	111.4	L643 P644 C647 Y700 M702 F717	L643-L715 HydrophobicContact CD2-CD1 3.73Å; L643-L715 HydrophobicContact CD2-CD2 3.93Å; P644-L715 HydrophobicContact CG-CD1 4.37Å; C647-L715 HydrophobicContact CB-CB 4.49Å; C647-L715 HydrophobicContact CB-CD1 4.37Å; C647-L715 WeakPolarHBondContact SG-CB 3.21Å; Y700-L715 WeakPolarHBondContact O-CB 3.32Å; Y700-L715 PolarHBondContact O-N 2.9Å; M702-L715 HydrophobicContact CG-CD1 4.07Å; M702-L715 HydrophobicContact CG-CD2 3.94Å; M702-L715 HydrophobicContact CG-CG 4.19Å; M702-L715 HydrophobicContact SD-CD1 4.31Å; L715-F717 HydrophobicContact CD2-CD1 4.18Å; L715-F717 HydrophobicContact CD2-CD2 3.45Å; L715-F717 VanDerWaalsContact CD2-CD2 3.45Å; L715-F717 HydrophobicContact CD2-CE1 4.07Å; L715-F717 HydrophobicContact CD2-CE2 3.35Å; L715-F717 HydrophobicContact CD2-CG 3.89Å; L715-F717 HydrophobicContact CD2-CZ 3.67Å
716	P	86.4	Confident	88.5	Confident	54 Å²	54	24.9 Å²	24.9	35%	0.351	13%	0.132	S	C	.	.	S	Bend	cis	-70.9	153.9	-2.6	30.9	-37	0	0	0	112.7	Y648 D718	Y648-P716 HydrophobicContact CE1-CB 4.03Å; Y648-P716 WeakPolarHBondContact OH-CA 3.49Å; Y648-P716 WeakPolarHBondContact OH-CB 3.38Å; P716-D718 PolarHBondContact O-N 3.31Å; P716-D718 VanDerWaalsContact O-N 3.07Å
717	F	83.6	Confident	88.4	Confident	6 Å²	6	25.7 Å²	25.7	3%	0.026	14%	0.135	C	C	.	.			trans	-64.4	106	169.1	-68	-69.6	0	0	0	109.6	L643 Y648 F654 I662 L664 K674 V676 M702 I713 L715	L643-F717 HydrophobicContact CD1-CD2 4.38Å; L643-F717 HydrophobicContact CD1-CE2 4.31Å; L643-F717 HydrophobicContact CD2-CD2 4.16Å; L643-F717 HydrophobicContact CD2-CE2 3.53Å; L643-F717 HydrophobicContact CG-CE2 4.4Å; Y648-F717 PolarHBondContact OH-N 3.2Å; F654-F717 HydrophobicContact CD2-CD2 4.5Å; F654-F717 AromaticContact CD2-CE2 3.57Å; F654-F717 HydrophobicContact CD2-CE2 3.57Å; F654-F717 AromaticContact CD2-CZ 3.64Å; F654-F717 HydrophobicContact CD2-CZ 3.64Å; F654-F717 HydrophobicContact CE2-CE1 4.03Å; F654-F717 AromaticContact CE2-CE2 3.82Å; F654-F717 HydrophobicContact CE2-CE2 3.82Å; F654-F717 AromaticContact CE2-CZ 3.4Å; F654-F717 HydrophobicContact CE2-CZ 3.4Å; F654-F717 VanDerWaalsContact CE2-CZ 3.4Å; I662-F717 HydrophobicContact CD1-CD1 4.28Å; I662-F717 HydrophobicContact CD1-CE1 4.1Å; L664-F717 HydrophobicContact CD1-CD2 4.16Å; L664-F717 HydrophobicContact CD2-CD2 4.1Å; L664-F717 HydrophobicContact CD2-CE2 4.35Å; K674-F717 WeakPolarHBondContact CD-O 3.27Å; K674-F717 WeakPolarHBondContact CE-O 3.12Å; K674-F717 PolarHBondContact NZ-O 2.92Å; V676-F717 HydrophobicContact CG2-CB 4.27Å; M702-F717 HydrophobicContact CB-CZ 4.24Å; M702-F717 HydrophobicContact CG-CE2 4.2Å; M702-F717 HydrophobicContact CG-CZ 3.75Å; I713-F717 HydrophobicContact CB-CE1 4.15Å; I713-F717 HydrophobicContact CD1-CE1 4.07Å; I713-F717 HydrophobicContact CG2-CD1 4Å; I713-F717 HydrophobicContact CG2-CE1 3.74Å; L715-F717 HydrophobicContact CD2-CD1 4.18Å; L715-F717 HydrophobicContact CD2-CD2 3.45Å; L715-F717 VanDerWaalsContact CD2-CD2 3.45Å; L715-F717 HydrophobicContact CD2-CE1 4.07Å; L715-F717 HydrophobicContact CD2-CE2 3.35Å; L715-F717 HydrophobicContact CD2-CG 3.89Å; L715-F717 HydrophobicContact CD2-CZ 3.67Å
718	D	78.5	Confident	88.5	Confident	12 Å²	12	23.3 Å²	23.3	6%	0.064	13%	0.126	C	C	.	.			trans	-128.4	0.6	-178.7	55.6	12.7	0	0	0	113.3	P716 D720 K723 M782 F786 Q874	P716-D718 PolarHBondContact O-N 3.31Å; P716-D718 VanDerWaalsContact O-N 3.07Å; D718-D720 VanDerWaalsContact C-N 3.33Å; D718-D720 WeakPolarHBondContact OD1-CB 3.48Å; D718-D720 PolarHBondContact OD1-N 3.22Å; D718-D720 VanDerWaalsContact OD1-N 3.07Å; D718-K723 IonicContact OD1-NZ 3.03Å; D718-K723 VanDerWaalsContact OD2-CE 3.26Å; D718-K723 WeakPolarHBondContact OD2-CE 3.39Å; D718-K723 IonicContact OD2-NZ 3.68Å; D718-K723 PolarHBondContact OD2-NZ 3.18Å; D718-M782 HydrophobicContact CB-CE 4.39Å; D718-M782 HydrophobicContact CB-SD 4.3Å; D718-M782 WeakPolarHBondContact OD2-CE 3.45Å; D718-F786 WeakPolarHBondContact O-CZ 3.36Å; D718-Q874 PolarHBondContact O-NE2 3.36Å
719	G	74.9	Confident	88.6	Confident	21 Å²	21	22.7 Å²	22.7	22%	0.216	12%	0.123	C	C	.	.			trans	83.9	2.7	179.2	0	0	0	0	0	114.3	V676 P721	V676-G719 VanDerWaalsContact CG1-CA 3.46Å; G719-P721 VanDerWaalsContact O-CD 3.29Å; G719-P721 WeakPolarHBondContact O-CD 3.29Å
720	D	78.4	Confident	88.6	Confident	7 Å²	7	19.4 Å²	19.4	4%	0.037	11%	0.111	C	C	.	.			trans	-69	116.7	178.4	-178.5	-0.3	0	0	0	110.7	D718 L722 K723 M782 R785	D718-D720 VanDerWaalsContact C-N 3.33Å; D718-D720 WeakPolarHBondContact OD1-CB 3.48Å; D718-D720 PolarHBondContact OD1-N 3.22Å; D718-D720 VanDerWaalsContact OD1-N 3.07Å; D720-L722 PolarHBondContact O-N 3.06Å; D720-L722 PolarHBondContact OD1-N 2.95Å; D720-K723 HydrophobicContact CB-CB 4.44Å; D720-K723 HydrophobicContact CB-CD 4.26Å; D720-K723 HydrophobicContact CB-CG 3.92Å; D720-K723 WeakPolarHBondContact O-CB 3.4Å; D720-K723 PolarHBondContact O-N 2.77Å; D720-M782 HydrophobicContact CB-CG 4.02Å; D720-M782 HydrophobicContact CB-SD 4.26Å; D720-R785 IonicContact OD1-NH1 3.78Å; D720-R785 PolarHBondContact OD1-NH1 2.86Å; D720-R785 IonicContact OD2-CZ 3.58Å; D720-R785 IonicContact OD2-NH1 2.79Å; D720-R785 PolarHBondContact OD2-NH1 3.41Å
721	P	76.8	Confident	88.5	Confident	30 Å²	30	19.7 Å²	19.7	20%	0.195	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-68.5	-19.8	-177.8	20.6	-23.9	0	0	0	113.6	F679 G719 K723 Y724 F789	F679-P721 HydrophobicContact CD1-CB 3.9Å; F679-P721 HydrophobicContact CE1-CB 3.72Å; F679-P721 HydrophobicContact CE1-CG 4.46Å; F679-P721 HydrophobicContact CE2-CB 4.32Å; F679-P721 HydrophobicContact CG-CB 4.3Å; F679-P721 HydrophobicContact CZ-CB 3.93Å; F679-P721 HydrophobicContact CZ-CG 4.28Å; G719-P721 VanDerWaalsContact O-CD 3.29Å; G719-P721 WeakPolarHBondContact O-CD 3.29Å; P721-K723 PolarHBondContact O-N 3.3Å; P721-Y724 WeakPolarHBondContact O-CB 3.38Å; P721-Y724 PolarHBondContact O-N 3.03Å; P721-F789 HydrophobicContact CG-CE2 3.86Å; P721-F789 HydrophobicContact CG-CZ 3.44Å; P721-F789 VanDerWaalsContact CG-CZ 3.44Å
722	L	82.9	Confident	88.2	Confident	64 Å²	64	20.3 Å²	20.3	34%	0.335	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-74.5	-15.1	173.6	-70.9	179.8	0	0	0	112.9	D720 Y724 L772 V776 A779	D720-L722 PolarHBondContact O-N 3.06Å; D720-L722 PolarHBondContact OD1-N 2.95Å; L722-Y724 PolarHBondContact O-N 3.1Å; L722-L772 WeakPolarHBondContact O-CD1 3.25Å; L722-V776 HydrophobicContact CB-CG2 4.31Å; L722-V776 VanDerWaalsContact O-CG2 3.29Å; L722-V776 WeakPolarHBondContact O-CG2 3.28Å; L722-A779 HydrophobicContact CD1-CB 3.69Å
723	K	87.9	Confident	87.7	Confident	19 Å²	19	24.8 Å²	24.8	8%	0.083	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-81.4	9.5	170.4	-65	-162	176.1	-179.9	0	113	I713 M714 D718 D720 P721 L772 V776	I713-K723 CarbonylContact C-O 3.6Å; I713-K723 WeakPolarHBondContact CA-O 3.37Å; M714-K723 HydrophobicContact CB-CB 4.01Å; M714-K723 HydrophobicContact CB-CD 4.36Å; M714-K723 HydrophobicContact CB-CG 4.36Å; M714-K723 HydrophobicContact CE-CD 3.84Å; M714-K723 HydrophobicContact CE-CG 3.86Å; M714-K723 PolarHBondContact N-O 3.09Å; D718-K723 IonicContact OD1-NZ 3.03Å; D718-K723 VanDerWaalsContact OD2-CE 3.26Å; D718-K723 WeakPolarHBondContact OD2-CE 3.39Å; D718-K723 IonicContact OD2-NZ 3.68Å; D718-K723 PolarHBondContact OD2-NZ 3.18Å; D720-K723 HydrophobicContact CB-CB 4.44Å; D720-K723 HydrophobicContact CB-CD 4.26Å; D720-K723 HydrophobicContact CB-CG 3.92Å; D720-K723 WeakPolarHBondContact O-CB 3.4Å; D720-K723 PolarHBondContact O-N 2.77Å; P721-K723 PolarHBondContact O-N 3.3Å; K723-L772 WeakPolarHBondContact O-CD2 3.22Å; K723-V776 HydrophobicContact CG-CG2 3.96Å
724	Y	88.5	Confident	87.2	Confident	24 Å²	24	27 Å²	27	9%	0.094	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139	-176.1	-179.3	-87.1	0	0	0	111.1	F679 P680 Y685 I713 P721 L722 N726	F679-Y724 HydrophobicContact CB-CD1 4.28Å; F679-Y724 HydrophobicContact CB-CD2 4.4Å; F679-Y724 HydrophobicContact CB-CG 4.07Å; F679-Y724 VanDerWaalsContact O-CE1 3.26Å; F679-Y724 WeakPolarHBondContact O-CE1 3.4Å; F679-Y724 WeakPolarHBondContact O-CE2 3.28Å; F679-Y724 PolarHBondContact O-OH 3.46Å; P680-Y724 HydrophobicContact CG-CE1 4.24Å; Y685-Y724 HydrophobicContact CE1-CE2 4.41Å; Y685-Y724 WeakPolarHBondContact OH-CE2 3.49Å; I713-Y724 HydrophobicContact CD1-CD2 3.86Å; I713-Y724 HydrophobicContact CD1-CE2 3.96Å; I713-Y724 HydrophobicContact CG1-CD2 3.64Å; I713-Y724 HydrophobicContact CG1-CE2 3.89Å; P721-Y724 WeakPolarHBondContact O-CB 3.38Å; P721-Y724 PolarHBondContact O-N 3.03Å; L722-Y724 PolarHBondContact O-N 3.1Å; Y724-N726 HydrophobicContact CE1-CB 3.51Å; Y724-N726 WeakPolarHBondContact CE1-ND2 3.1Å; Y724-N726 WeakPolarHBondContact OH-CB 3.33Å
725	T	92.3	Very high	87	Confident	40 Å²	40	28.9 Å²	28.9	25%	0.245	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.2	168.7	-174	0	0	0	0	109.8	A76 I77 G711 L712 L772	A76-T725 HydrophobicContact CB-CG2 3.68Å; I77-T725 HydrophobicContact CD1-CG2 4.3Å; I77-T725 HydrophobicContact CG1-CG2 4.43Å; G711-T725 CarbonylContact C-O 3.55Å; G711-T725 VanDerWaalsContact CA-O 3.23Å; G711-T725 WeakPolarHBondContact CA-O 3.42Å; L712-T725 HydrophobicContact CB-CG2 3.87Å; L712-T725 HydrophobicContact CD2-CG2 4.41Å; L712-T725 PolarHBondContact N-O 2.79Å; L712-T725 PolarHBondContact O-N 2.68Å; T725-L772 HydrophobicContact CG2-CD1 4.24Å; T725-L772 HydrophobicContact CG2-CD2 4.14Å
726	N	93.7	Very high	87	Confident	54 Å²	54	28.7 Å²	28.7	29%	0.289	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	164.9	-178.1	75.3	102.1	0	0	0	113.8	R709 L710 Y724	R709-N726 VanDerWaalsContact CD-OD1 3.3Å; R709-N726 WeakPolarHBondContact CD-OD1 3.04Å; R709-N726 PolarHBondContact NE-OD1 3.23Å; L710-N726 CarbonylContact O-C 3.56Å; L710-N726 WeakPolarHBondContact O-CA 3.13Å; L710-N726 WeakPolarHBondContact O-CB 3.03Å; Y724-N726 HydrophobicContact CE1-CB 3.51Å; Y724-N726 WeakPolarHBondContact CE1-ND2 3.1Å; Y724-N726 WeakPolarHBondContact OH-CB 3.33Å
727	I	94.4	Very high	86.9	Confident	26 Å²	26	29.7 Å²	29.7	13%	0.133	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.3	174.5	-168.4	161.8	0	0	0	109.9	I77 R709 L710 A729 W765	I77-I727 HydrophobicContact CB-CG2 4.2Å; I77-I727 HydrophobicContact CD1-CG2 4.48Å; I77-I727 HydrophobicContact CG2-CG2 3.63Å; R709-I727 CarbonylContact C-O 3.59Å; R709-I727 WeakPolarHBondContact CA-O 3.28Å; R709-I727 WeakPolarHBondContact CB-O 3.3Å; L710-I727 HydrophobicContact CB-CG2 4.09Å; L710-I727 PolarHBondContact N-O 3.15Å; L710-I727 PolarHBondContact O-N 3.5Å; I727-A729 PolarHBondContact O-N 2.94Å; I727-W765 HydrophobicContact CD1-CE3 4.41Å; I727-W765 HydrophobicContact CD1-CZ3 3.73Å; I727-W765 HydrophobicContact CG1-CZ3 4.23Å; I727-W765 HydrophobicContact CG2-CE3 4.17Å; I727-W765 HydrophobicContact CG2-CH2 4.48Å; I727-W765 HydrophobicContact CG2-CZ3 4.01Å
728	I	94.2	Very high	87	Confident	23 Å²	23	30 Å²	30	12%	0.118	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	119.3	167.3	-63.6	172.6	0	0	0	107.6	H108 C127 E708 R709 P731 W765	H108-I728 PolarHBondContact CE1-O 3.19Å; H108-I728 PolarHBondContact NE2-O 2.96Å; C127-I728 HydrophobicContact CB-CD1 3.73Å; E708-I728 HydrophobicContact CG-CG2 3.92Å; R709-I728 HydrophobicContact CG-CG1 4.35Å; I728-P731 HydrophobicContact CG2-CG 4.38Å; I728-W765 WeakPolarHBondContact O-CH2 3.45Å
729	A	95.7	Very high	87.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-91.9	-47.7	178	0	0	0	0	0	111.3	H108 L705 E708 L710 I727 T754 H763 W765	H108-A729 PolarHBondContact CE1-O 3.32Å; H108-A729 VanDerWaalsContact CE1-O 3.3Å; L705-A729 HydrophobicContact CD1-CB 4.31Å; E708-A729 WeakPolarHBondContact O-CA 3.48Å; E708-A729 WeakPolarHBondContact O-CB 3.1Å; E708-A729 PolarHBondContact O-N 2.8Å; L710-A729 HydrophobicContact CB-CB 3.86Å; I727-A729 PolarHBondContact O-N 2.94Å; A729-T754 HydrophobicContact CB-CG2 4.17Å; A729-H763 PolarHBondContact O-CE1 2.87Å; A729-H763 PolarHBondContact O-ND1 2.64Å; A729-W765 VanDerWaalsContact CA-CZ2 3.5Å; A729-W765 HydrophobicContact CB-CZ2 3.9Å
730	H	95.9	Very high	88.6	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-148	117.9	178.4	-65	-87.4	0	0	0	108.9	E708 A740 T754 G756 D759 C761 H763	E708-H730 WeakPolarHBondContact CA-O 3.11Å; E708-H730 WeakPolarHBondContact CG-O 3.22Å; E708-H730 PolarHBondContact O-N 2.77Å; E708-H730 VanDerWaalsContact O-N 3.07Å; H730-A740 HydrophobicContact CB-CB 4.26Å; H730-T754 PolarHBondContact CD2-OG1 3.49Å; H730-T754 PolarHBondContact NE2-O 2.81Å; H730-T754 PolarHBondContact NE2-OG1 3.48Å; H730-G756 PolarHBondContact CE1-N 3.49Å; H730-G756 WeakPolarHBondContact ND1-CA 3.44Å; H730-G756 PolarHBondContact ND1-N 2.79Å; H730-G756 PolarHBondContact NE2-N 3.21Å; H730-D759 IonicContact CE1-OD2 3.35Å; H730-D759 IonicContact CG-OD2 3.71Å; H730-D759 IonicContact ND1-OD1 3.86Å; H730-D759 IonicContact ND1-OD2 3.52Å; H730-D759 PolarHBondContact ND1-OD2 2.74Å; H730-C761 PolarHBondContact CE1-O 2.77Å; H730-H763 AromaticContact CE1-CE1 3.54Å; H730-H763 AromaticContact CE1-CG 3.71Å; H730-H763 AromaticContact CE1-ND1 3.21Å; H730-H763 PolarHBondContact CE1-ND1 3.16Å; H730-H763 AromaticContact ND1-CE1 3.7Å; H730-H763 AromaticContact ND1-ND1 3.67Å; H730-H763 AromaticContact NE2-CG 3.96Å; H730-H763 AromaticContact NE2-ND1 3.55Å
731	P	93.8	Very high	89.3	Confident	6 Å²	6	34.5 Å²	34.5	4%	0.039	20%	0.198	C	C	.	.			trans	-60.6	141	-177.2	-18.1	29	0	0	0	111.7	H108 I728 R735 G736	H108-P731 HydrophobicContact CB-CG 3.55Å; H108-P731 WeakPolarHBondContact ND1-CD 3.42Å; I728-P731 HydrophobicContact CG2-CG 4.38Å; P731-R735 HydrophobicContact CB-CB 3.83Å; P731-R735 WeakPolarHBondContact CB-O 3.48Å; P731-G736 WeakPolarHBondContact O-CA 3.39Å
732	S	89	Confident	90.1	Very high	12 Å²	12	33.1 Å²	33.1	8%	0.084	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-119.8	152.4	-174.9	75.1	0	0	0	0	114.8	E708 G734 R735 G738	E708-S732 PolarHBondContact OE2-N 2.93Å; E708-S732 PolarHBondContact OE2-OG 3.13Å; S732-G734 PolarHBondContact O-N 3.22Å; S732-G734 VanDerWaalsContact O-N 3.14Å; S732-R735 WeakPolarHBondContact O-CB 3.46Å; S732-R735 PolarHBondContact O-N 3.4Å; S732-G738 WeakPolarHBondContact CA-O 3.37Å; S732-G738 WeakPolarHBondContact CB-O 3.44Å
733	N	82.2	Confident	90.8	Very high	95 Å²	95	30.7 Å²	30.7	51%	0.508	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	50.2	-112.3	173.7	-50.7	-58.2	0	0	0	113.9	R147 R735 G736 G738	R147-N733 PolarHBondContact NH2-O 3.12Å; N733-R735 PolarHBondContact O-N 3.26Å; N733-R735 VanDerWaalsContact O-N 3.12Å; N733-G736 CarbonylContact C-O 3.56Å; N733-G736 PolarHBondContact N-O 3.34Å; N733-G736 VanDerWaalsContact N-O 3.13Å; N733-G736 PolarHBondContact O-N 3.1Å; N733-G738 PolarHBondContact N-O 2.82Å
734	G	82.8	Confident	91.2	Very high	59 Å²	59	30 Å²	30	61%	0.608	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-58.6	-25.1	177.7	0	0	0	0	0	113.6	S732	S732-G734 PolarHBondContact O-N 3.22Å; S732-G734 VanDerWaalsContact O-N 3.14Å
735	R	86.9	Confident	91.6	Very high	48 Å²	48	29.8 Å²	29.8	18%	0.181	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-91.6	-22.8	-179.7	-57.2	-175.5	172.1	-94.2	0.7	113.9	N128 E129 D150 E708 P731 S732 N733	N128-R735 CarbonylContact C-O 3.57Å; N128-R735 WeakPolarHBondContact CA-O 3.47Å; N128-R735 HydrophobicContact CB-CB 4.33Å; N128-R735 WeakPolarHBondContact CB-O 3.4Å; N128-R735 WeakPolarHBondContact OD1-CB 3.33Å; N128-R735 WeakPolarHBondContact OD1-CD 3.32Å; N128-R735 WeakPolarHBondContact OD1-CG 3.22Å; N128-R735 PolarHBondContact OD1-NH1 3.39Å; E129-R735 PolarHBondContact N-O 2.9Å; D150-R735 VanDerWaalsContact CG-NH1 3.34Å; D150-R735 IonicContact OD1-CZ 3.76Å; D150-R735 IonicContact OD1-NH1 3.09Å; D150-R735 PolarHBondContact OD1-NH1 3.17Å; D150-R735 IonicContact OD1-NH2 2.74Å; D150-R735 IonicContact OD2-CZ 3.62Å; D150-R735 IonicContact OD2-NH1 3.49Å; D150-R735 PolarHBondContact OD2-NH1 3.05Å; D150-R735 IonicContact OD2-NH2 2.71Å; D150-R735 PolarHBondContact OD2-NH2 2.84Å; E708-R735 WeakPolarHBondContact OE1-CD 3.49Å; E708-R735 IonicContact OE1-NE 2.77Å; P731-R735 HydrophobicContact CB-CB 3.83Å; P731-R735 WeakPolarHBondContact CB-O 3.48Å; S732-R735 WeakPolarHBondContact O-CB 3.46Å; S732-R735 PolarHBondContact O-N 3.4Å; N733-R735 PolarHBondContact O-N 3.26Å; N733-R735 VanDerWaalsContact O-N 3.12Å
736	G	88.1	Confident	91.7	Very high	2 Å²	2	28 Å²	28	2%	0.021	16%	0.164	C	C	.	.	S	Bend	trans	-166.3	166.8	-175.8	0	0	0	0	0	113.9	E129 R147 P731 N733 G738	E129-G736 WeakPolarHBondContact OE2-CA 3.34Å; R147-G736 PolarHBondContact NH2-O 2.97Å; P731-G736 WeakPolarHBondContact O-CA 3.39Å; N733-G736 CarbonylContact C-O 3.56Å; N733-G736 PolarHBondContact N-O 3.34Å; N733-G736 VanDerWaalsContact N-O 3.13Å; N733-G736 PolarHBondContact O-N 3.1Å; G736-G738 PolarHBondContact O-N 3.33Å
737	V	85.6	Confident	91.5	Very high	74 Å²	74	29.9 Å²	29.9	45%	0.448	17%	0.167	S	C	.	.	S	Bend	trans	-62.1	-13.1	-171	-78.2	0	0	0	0	116.6	E129 R147 P758 D759	E129-V737 WeakPolarHBondContact OE2-CG1 3.38Å; E129-V737 PolarHBondContact OE2-N 3.23Å; R147-V737 VanDerWaalsContact NH1-CG1 3.31Å; V737-P758 HydrophobicContact CB-CB 4.22Å; V737-P758 HydrophobicContact CG2-CB 3.92Å; V737-D759 HydrophobicContact CG2-CB 3.93Å
738	G	85.4	Confident	91.3	Very high	12 Å²	12	33.4 Å²	33.4	12%	0.124	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-157	-151.6	-166.6	0	0	0	0	0	116.1	S732 N733 G736	S732-G738 WeakPolarHBondContact CA-O 3.37Å; S732-G738 WeakPolarHBondContact CB-O 3.44Å; N733-G738 PolarHBondContact N-O 2.82Å; G736-G738 PolarHBondContact O-N 3.33Å
739	Q	91.6	Very high	91.1	Very high	73 Å²	73	32.3 Å²	32.3	34%	0.341	18%	0.176	S	C	.	.			trans	-136.3	142.6	173.4	-63.7	176.8	13.5	0	0	108	K707 Q741	K707-Q739 HydrophobicContact CB-CB 4.16Å; K707-Q739 HydrophobicContact CB-CG 4.07Å; K707-Q739 HydrophobicContact CD-CG 4.32Å; K707-Q739 VanDerWaalsContact CE-OE1 3.28Å; K707-Q739 HydrophobicContact CG-CB 4.39Å; K707-Q739 HydrophobicContact CG-CG 4.23Å; K707-Q739 WeakPolarHBondContact O-CA 3.43Å; Q739-Q741 VanDerWaalsContact O-CG 3.31Å; Q739-Q741 WeakPolarHBondContact O-CG 3.43Å; Q739-Q741 PolarHBondContact O-N 2.86Å
740	A	94.2	Very high	90.9	Very high	6 Å²	6	35.2 Å²	35.2	5%	0.05	19%	0.191	C	C	.	.			trans	-58.6	134.1	173.8	0	0	0	0	0	110.6	L705 K707 H730 A755	L705-A740 HydrophobicContact CD1-CB 3.93Å; L705-A740 HydrophobicContact CD2-CB 4.08Å; L705-A740 HydrophobicContact CG-CB 4.22Å; K707-A740 PolarHBondContact O-N 2.82Å; H730-A740 HydrophobicContact CB-CB 4.26Å; A740-A755 WeakPolarHBondContact CA-O 3.33Å
741	Q	93.6	Very high	90.9	Very high	57 Å²	57	38.2 Å²	38.2	27%	0.266	20%	0.202	S	C	.	.			trans	-119.3	-31.1	-172.1	-64.1	-156.2	25.7	0	0	114.3	N450 K687 Q739 A755	N450-Q741 WeakPolarHBondContact O-CB 3.37Å; N450-Q741 PolarHBondContact OD1-NE2 3.49Å; N450-Q741 PolarHBondContact OD1-OE1 3.34Å; K687-Q741 WeakPolarHBondContact CE-O 3.39Å; K687-Q741 PolarHBondContact NZ-O 3.42Å; Q739-Q741 VanDerWaalsContact O-CG 3.31Å; Q739-Q741 WeakPolarHBondContact O-CG 3.43Å; Q739-Q741 PolarHBondContact O-N 2.86Å; Q741-A755 PolarHBondContact N-O 3.05Å
742	G	94	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.2	-174.7	0	0	0	0	0	112.3	L705 T754 A755	L705-G742 WeakPolarHBondContact CD2-O 3.33Å; G742-T754 VanDerWaalsContact O-CA 3.26Å; G742-T754 WeakPolarHBondContact O-CA 3.26Å; G742-A755 PolarHBondContact N-O 2.82Å; G742-A755 PolarHBondContact O-N 3.13Å; G742-A755 VanDerWaalsContact O-N 3.13Å
743	L	97.5	Very high	91.5	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.6	168.7	179.7	64.7	0	0	0	108.2	K687 L689 V703 L705 L710 F753 T754	K687-L743 HydrophobicContact CB-CB 4.01Å; K687-L743 HydrophobicContact CB-CD2 4.16Å; K687-L743 HydrophobicContact CD-CB 4.17Å; L689-L743 HydrophobicContact CB-CD2 4.43Å; L689-L743 HydrophobicContact CD1-CD2 4.18Å; L689-L743 HydrophobicContact CD1-CG 4.01Å; L689-L743 HydrophobicContact CG-CD2 4.15Å; V703-L743 HydrophobicContact CG1-CD1 4.07Å; V703-L743 HydrophobicContact CG1-CD2 4.36Å; L705-L743 HydrophobicContact CB-CB 4.16Å; L705-L743 HydrophobicContact CB-CD1 4.36Å; L705-L743 HydrophobicContact CB-CD2 3.95Å; L705-L743 HydrophobicContact CB-CG 4.37Å; L705-L743 HydrophobicContact CD2-CB 3.82Å; L710-L743 HydrophobicContact CD1-CD1 3.78Å; L743-F753 WeakPolarHBondContact CA-O 3.16Å; L743-T754 HydrophobicContact CD1-CG2 4.16Å
744	A	97	Very high	92.3	Very high	6 Å²	6	32.8 Å²	32.8	5%	0.05	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.6	167.5	0	0	0	0	0	110.2	L452 T454 A752 F753	L452-A744 HydrophobicContact CD1-CB 3.36Å; L452-A744 HydrophobicContact CG-CB 4.41Å; T454-A744 HydrophobicContact CG2-CB 3.82Å; A744-A752 CarbonylContact O-C 3.58Å; A744-A752 WeakPolarHBondContact O-CA 3.44Å; A744-F753 PolarHBondContact N-O 3.22Å; A744-F753 PolarHBondContact O-N 2.7Å
745	I	95.8	Very high	93	Very high	18 Å²	18	30 Å²	30	9%	0.092	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.6	177.9	-55.2	175.2	0	0	0	108	T454 L689 L691 V703 Y751	T454-I745 WeakPolarHBondContact CB-O 3.46Å; T454-I745 PolarHBondContact OG1-O 3.01Å; L689-I745 HydrophobicContact CB-CD1 3.56Å; L689-I745 HydrophobicContact CB-CG1 4.21Å; L689-I745 HydrophobicContact CD1-CD1 4.39Å; L689-I745 HydrophobicContact CD1-CG1 4.13Å; L691-I745 HydrophobicContact CD1-CD1 4.36Å; L691-I745 HydrophobicContact CD1-CG2 3.84Å; V703-I745 HydrophobicContact CB-CD1 3.82Å; V703-I745 HydrophobicContact CB-CG1 4.46Å; V703-I745 HydrophobicContact CG2-CD1 3.61Å; V703-I745 HydrophobicContact CG2-CG1 4.33Å; I745-Y751 WeakPolarHBondContact CA-O 3.31Å
746	D	94.6	Very high	93.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	14%	0.136	C	C	.	.			trans	-69.5	162	174.5	92	-57.6	0	0	0	112.4	Y475 K748 G749 L750 Y751 F753	Y475-D746 HydrophobicContact CE2-CB 4.38Å; D746-K748 PolarHBondContact O-N 2.96Å; D746-K748 VanDerWaalsContact O-N 3.11Å; D746-K748 WeakPolarHBondContact OD2-CB 3.45Å; D746-K748 PolarHBondContact OD2-N 2.78Å; D746-K748 VanDerWaalsContact OD2-N 3.1Å; D746-G749 PolarHBondContact O-N 3.23Å; D746-G749 VanDerWaalsContact O-N 3.1Å; D746-G749 VanDerWaalsContact OD1-CA 3.32Å; D746-G749 WeakPolarHBondContact OD1-CA 3.46Å; D746-G749 PolarHBondContact OD1-N 3.31Å; D746-L750 PolarHBondContact OD1-N 2.99Å; D746-Y751 PolarHBondContact N-O 2.88Å; D746-Y751 PolarHBondContact OD1-N 2.87Å; D746-F753 HydrophobicContact CB-CE2 4.16Å
747	R	89.7	Confident	93.5	Very high	94 Å²	94	27.7 Å²	27.7	36%	0.355	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.9	-178.1	70.6	-173.9	170.6	145.1	-1.6	114.7	P456 V457 N459 I692	P456-R747 WeakPolarHBondContact O-CB 3.27Å; V457-R747 WeakPolarHBondContact O-CD 3.44Å; V457-R747 PolarHBondContact O-NE 3.42Å; V457-R747 VanDerWaalsContact O-NE 3.16Å; V457-R747 PolarHBondContact O-NH1 3.35Å; N459-R747 PolarHBondContact OD1-NE 3.32Å; N459-R747 PolarHBondContact OD1-NH2 2.99Å; I692-R747 VanDerWaalsContact CD1-O 3.26Å; I692-R747 WeakPolarHBondContact CD1-O 3.35Å
748	K	89.1	Confident	93.8	Very high	101 Å²	101	26 Å²	26	44%	0.439	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.9	-178.8	-60	177.7	176.8	168.2	0	112.6	D746 L750	D746-K748 PolarHBondContact O-N 2.96Å; D746-K748 VanDerWaalsContact O-N 3.11Å; D746-K748 WeakPolarHBondContact OD2-CB 3.45Å; D746-K748 PolarHBondContact OD2-N 2.78Å; D746-K748 VanDerWaalsContact OD2-N 3.1Å; K748-L750 HydrophobicContact CB-CB 4.43Å; K748-L750 HydrophobicContact CB-CD1 3.8Å; K748-L750 HydrophobicContact CB-CG 3.79Å; K748-L750 HydrophobicContact CD-CD1 3.8Å; K748-L750 HydrophobicContact CG-CD1 4.46Å; K748-L750 PolarHBondContact O-N 2.81Å
749	G	90.1	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	61.8	27.4	-172.6	0	0	0	0	0	113.2	Q694 D746	Q694-G749 PolarHBondContact NE2-O 3.14Å; D746-G749 PolarHBondContact O-N 3.23Å; D746-G749 VanDerWaalsContact O-N 3.1Å; D746-G749 VanDerWaalsContact OD1-CA 3.32Å; D746-G749 WeakPolarHBondContact OD1-CA 3.46Å; D746-G749 PolarHBondContact OD1-N 3.31Å
750	L	92.4	Very high	94.2	Very high	61 Å²	61	22.9 Å²	22.9	32%	0.319	11%	0.109	S	C	.	.	S	Bend	trans	-93.9	-28.4	175.8	-66.7	174.8	0	0	0	111.9	D746 K748 L767	D746-L750 PolarHBondContact OD1-N 2.99Å; K748-L750 HydrophobicContact CB-CB 4.43Å; K748-L750 HydrophobicContact CB-CD1 3.8Å; K748-L750 HydrophobicContact CB-CG 3.79Å; K748-L750 HydrophobicContact CD-CD1 3.8Å; K748-L750 HydrophobicContact CG-CD1 4.46Å; K748-L750 PolarHBondContact O-N 2.81Å; L750-L767 PolarHBondContact O-N 3.05Å
751	Y	95.9	Very high	94.3	Very high	63 Å²	63	22.6 Å²	22.6	25%	0.247	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.5	-175.8	-54.4	-66.2	0	0	0	112.2	Y475 I745 D746 M764 W765 T766	Y475-Y751 HydrophobicContact CD2-CD2 4.32Å; Y475-Y751 HydrophobicContact CE2-CD2 4.1Å; I745-Y751 WeakPolarHBondContact CA-O 3.31Å; D746-Y751 PolarHBondContact N-O 2.88Å; D746-Y751 PolarHBondContact OD1-N 2.87Å; Y751-M764 HydrophobicContact CD1-CE 3.33Å; Y751-M764 HydrophobicContact CD1-CG 4.4Å; Y751-M764 HydrophobicContact CD2-CE 3.52Å; Y751-M764 HydrophobicContact CE1-CE 3.53Å; Y751-M764 HydrophobicContact CE2-CE 3.69Å; Y751-M764 HydrophobicContact CG-CE 3.33Å; Y751-W765 CarbonylContact C-O 3.56Å; Y751-W765 WeakPolarHBondContact CA-O 3.41Å; Y751-T766 HydrophobicContact CE1-CG2 4.36Å
752	A	97.4	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	152.7	162.9	0	0	0	0	0	109.9	V703 L710 A744 W765 L767	V703-A752 HydrophobicContact CG1-CB 4.38Å; L710-A752 HydrophobicContact CD2-CB 4.21Å; A744-A752 CarbonylContact O-C 3.58Å; A744-A752 WeakPolarHBondContact O-CA 3.44Å; A752-W765 HydrophobicContact CB-CB 4.36Å; A752-W765 PolarHBondContact N-O 3.03Å; A752-W765 PolarHBondContact O-N 3.14Å; A752-L767 HydrophobicContact CB-CD1 3.93Å; A752-L767 HydrophobicContact CB-CD2 4.17Å; A752-L767 HydrophobicContact CB-CG 4.2Å
753	F	98.3	Very high	94.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.4	176.6	-58	-91.7	0	0	0	109.5	F83 L452 T454 I461 Y475 L743 A744 D746 H763 M764	F83-F753 HydrophobicContact CE2-CD1 4.15Å; F83-F753 HydrophobicContact CE2-CE1 4.07Å; F83-F753 HydrophobicContact CZ-CE1 4.48Å; L452-F753 HydrophobicContact CD1-CB 3.52Å; T454-F753 HydrophobicContact CG2-CD2 3.65Å; T454-F753 HydrophobicContact CG2-CE2 3.75Å; I461-F753 HydrophobicContact CD1-CB 3.55Å; I461-F753 HydrophobicContact CD1-CD1 3.44Å; I461-F753 VanDerWaalsContact CD1-CD1 3.44Å; I461-F753 HydrophobicContact CD1-CD2 3.93Å; I461-F753 HydrophobicContact CD1-CE1 4.06Å; I461-F753 HydrophobicContact CD1-CE2 4.49Å; I461-F753 HydrophobicContact CD1-CG 3.36Å; Y475-F753 HydrophobicContact CD1-CE1 4.45Å; Y475-F753 HydrophobicContact CD1-CE2 4.21Å; Y475-F753 AromaticContact CD1-CZ 3.65Å; Y475-F753 HydrophobicContact CD1-CZ 3.65Å; Y475-F753 AromaticContact CD2-CZ 3.97Å; Y475-F753 HydrophobicContact CD2-CZ 3.97Å; Y475-F753 HydrophobicContact CE1-CE2 4.41Å; Y475-F753 HydrophobicContact CE1-CZ 4.23Å; Y475-F753 HydrophobicContact CG-CE1 4.18Å; Y475-F753 HydrophobicContact CG-CE2 4.45Å; Y475-F753 AromaticContact CG-CZ 3.52Å; Y475-F753 HydrophobicContact CG-CZ 3.52Å; L743-F753 WeakPolarHBondContact CA-O 3.16Å; A744-F753 PolarHBondContact N-O 3.22Å; A744-F753 PolarHBondContact O-N 2.7Å; D746-F753 HydrophobicContact CB-CE2 4.16Å; F753-H763 CarbonylContact C-O 3.57Å; F753-H763 VanDerWaalsContact CA-O 3.28Å; F753-H763 WeakPolarHBondContact CA-O 3.48Å; F753-M764 HydrophobicContact CD1-CB 3.85Å; F753-M764 HydrophobicContact CD1-CG 3.96Å; F753-M764 HydrophobicContact CE1-CB 3.74Å; F753-M764 HydrophobicContact CE1-CE 4.41Å; F753-M764 HydrophobicContact CE1-CG 3.43Å; F753-M764 VanDerWaalsContact CE1-CG 3.43Å; F753-M764 HydrophobicContact CE1-SD 3.79Å; F753-M764 HydrophobicContact CZ-CE 4.27Å; F753-M764 HydrophobicContact CZ-CG 4.03Å; F753-M764 HydrophobicContact CZ-SD 4.25Å
754	T	98.2	Very high	94.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.1	177.5	59.3	0	0	0	0	110.2	L705 L710 A729 H730 G742 L743 V762 H763 W765	L705-T754 HydrophobicContact CD1-CG2 3.99Å; L705-T754 HydrophobicContact CD2-CG2 4.49Å; L710-T754 HydrophobicContact CD1-CG2 4.11Å; L710-T754 HydrophobicContact CD2-CG2 4.26Å; A729-T754 HydrophobicContact CB-CG2 4.17Å; H730-T754 PolarHBondContact CD2-OG1 3.49Å; H730-T754 PolarHBondContact NE2-O 2.81Å; H730-T754 PolarHBondContact NE2-OG1 3.48Å; G742-T754 VanDerWaalsContact O-CA 3.26Å; G742-T754 WeakPolarHBondContact O-CA 3.26Å; L743-T754 HydrophobicContact CD1-CG2 4.16Å; T754-V762 CarbonylContact O-C 3.48Å; T754-V762 WeakPolarHBondContact O-CA 3.37Å; T754-V762 WeakPolarHBondContact O-CG1 3.46Å; T754-H763 PolarHBondContact N-O 3.08Å; T754-H763 PolarHBondContact O-N 3.45Å; T754-W765 PolarHBondContact OG1-NE1 3.33Å
755	A	96.8	Very high	94.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.4	169.3	0	0	0	0	0	110.1	V449 L452 A740 Q741 G742 G757 V762	V449-A755 HydrophobicContact CB-CB 4.2Å; V449-A755 HydrophobicContact CG1-CB 3.82Å; V449-A755 VanDerWaalsContact O-CB 3.29Å; V449-A755 WeakPolarHBondContact O-CB 3.21Å; L452-A755 HydrophobicContact CD2-CB 3.3Å; L452-A755 VanDerWaalsContact CD2-N 3.27Å; A740-A755 WeakPolarHBondContact CA-O 3.33Å; Q741-A755 PolarHBondContact N-O 3.05Å; G742-A755 PolarHBondContact N-O 2.82Å; G742-A755 PolarHBondContact O-N 3.13Å; G742-A755 VanDerWaalsContact O-N 3.13Å; A755-G757 VanDerWaalsContact C-N 3.29Å; A755-G757 PolarHBondContact O-N 2.86Å; A755-V762 HydrophobicContact CB-CG2 3.99Å
756	G	92.2	Very high	94.7	Very high	2 Å²	2	20.4 Å²	20.4	2%	0.021	10%	0.097	C	C	.	.			trans	-83.7	-1.2	-177.3	0	0	0	0	0	114.7	H730 P758 D759 C761	H730-G756 PolarHBondContact CE1-N 3.49Å; H730-G756 WeakPolarHBondContact ND1-CA 3.44Å; H730-G756 PolarHBondContact ND1-N 2.79Å; H730-G756 PolarHBondContact NE2-N 3.21Å; G756-P758 WeakPolarHBondContact O-CD 3.32Å; G756-P758 VanDerWaalsContact O-N 3.15Å; G756-D759 WeakPolarHBondContact CA-OD1 3.38Å; G756-C761 PolarHBondContact N-O 2.7Å
757	G	93.3	Very high	94.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	65.9	-110.2	-176.8	0	0	0	0	0	109.8	D448 V449 A755 D759 T760	D448-G757 VanDerWaalsContact CA-O 3.25Å; D448-G757 WeakPolarHBondContact CA-O 3.45Å; V449-G757 PolarHBondContact N-O 2.99Å; V449-G757 WeakPolarHBondContact O-CA 3.39Å; V449-G757 PolarHBondContact O-N 3.23Å; A755-G757 VanDerWaalsContact C-N 3.29Å; A755-G757 PolarHBondContact O-N 2.86Å; G757-D759 VanDerWaalsContact C-N 3.26Å; G757-D759 PolarHBondContact O-N 2.59Å; G757-T760 PolarHBondContact O-N 3.21Å
758	P	92.3	Very high	94.8	Very high	39 Å²	39	18.7 Å²	18.7	25%	0.253	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.8	-176.3	-27.7	36.8	0	0	0	116.7	V737 G756 T760	V737-P758 HydrophobicContact CB-CB 4.22Å; V737-P758 HydrophobicContact CG2-CB 3.92Å; G756-P758 WeakPolarHBondContact O-CD 3.32Å; G756-P758 VanDerWaalsContact O-N 3.15Å; P758-T760 PolarHBondContact O-N 2.9Å
759	D	91.9	Very high	94.8	Very high	10 Å²	10	13.9 Å²	13.9	5%	0.053	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-4	175.7	74.3	9.2	0	0	0	113.2	A107 H730 V737 G756 G757 C761	A107-D759 HydrophobicContact CB-CB 4.21Å; A107-D759 VanDerWaalsContact CB-OD2 3.27Å; A107-D759 WeakPolarHBondContact CB-OD2 3.44Å; H730-D759 IonicContact CE1-OD2 3.35Å; H730-D759 IonicContact CG-OD2 3.71Å; H730-D759 IonicContact ND1-OD1 3.86Å; H730-D759 IonicContact ND1-OD2 3.52Å; H730-D759 PolarHBondContact ND1-OD2 2.74Å; V737-D759 HydrophobicContact CG2-CB 3.93Å; G756-D759 WeakPolarHBondContact CA-OD1 3.38Å; G757-D759 VanDerWaalsContact C-N 3.26Å; G757-D759 PolarHBondContact O-N 2.59Å; D759-C761 PolarHBondContact O-N 3.43Å; D759-C761 PolarHBondContact O-SG 3.15Å; D759-C761 PolarHBondContact OD1-N 3.36Å
760	T	93.8	Very high	94.8	Very high	9 Å²	9	18.5 Å²	18.5	6%	0.055	9%	0.092	C	C	.	.			trans	62.8	2.9	178.1	69.8	0	0	0	0	115.8	G757 P758	G757-T760 PolarHBondContact O-N 3.21Å; P758-T760 PolarHBondContact O-N 2.9Å
761	C	95.6	Very high	94.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.			trans	-101.2	149.5	-173.8	-62.4	0	0	0	0	111.6	S106 H730 G756 D759	S106-C761 PolarHBondContact OG-SG 3.31Å; H730-C761 PolarHBondContact CE1-O 2.77Å; G756-C761 PolarHBondContact N-O 2.7Å; D759-C761 PolarHBondContact O-N 3.43Å; D759-C761 PolarHBondContact O-SG 3.15Å; D759-C761 PolarHBondContact OD1-N 3.36Å
762	V	97.3	Very high	94.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123	170.6	179.3	0	0	0	0	108.6	F83 V449 T463 T754 A755	F83-V762 HydrophobicContact CB-CB 4.2Å; F83-V762 HydrophobicContact CD2-CB 4.23Å; F83-V762 HydrophobicContact CD2-CG1 4.07Å; F83-V762 PolarHBondContact N-O 3.09Å; F83-V762 PolarHBondContact O-N 3.07Å; V449-V762 HydrophobicContact CB-CG2 4.38Å; V449-V762 HydrophobicContact CG1-CG2 3.69Å; T463-V762 HydrophobicContact CG2-CG1 4.3Å; T463-V762 HydrophobicContact CG2-CG2 3.98Å; T754-V762 CarbonylContact O-C 3.48Å; T754-V762 WeakPolarHBondContact O-CA 3.37Å; T754-V762 WeakPolarHBondContact O-CG1 3.46Å; A755-V762 HydrophobicContact CB-CG2 3.99Å
763	H	97.8	Very high	93.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	136.5	-179.7	-62.9	150.9	0	0	0	111.1	T82 S106 A729 H730 F753 T754 W765	T82-H763 PolarHBondContact OG1-CD2 2.7Å; S106-H763 PolarHBondContact OG-NE2 3.44Å; S106-H763 VanDerWaalsContact OG-NE2 3.08Å; A729-H763 PolarHBondContact O-CE1 2.87Å; A729-H763 PolarHBondContact O-ND1 2.64Å; H730-H763 AromaticContact CE1-CE1 3.54Å; H730-H763 AromaticContact CE1-CG 3.71Å; H730-H763 AromaticContact CE1-ND1 3.21Å; H730-H763 PolarHBondContact CE1-ND1 3.16Å; H730-H763 AromaticContact ND1-CE1 3.7Å; H730-H763 AromaticContact ND1-ND1 3.67Å; H730-H763 AromaticContact NE2-CG 3.96Å; H730-H763 AromaticContact NE2-ND1 3.55Å; F753-H763 CarbonylContact C-O 3.57Å; F753-H763 VanDerWaalsContact CA-O 3.28Å; F753-H763 WeakPolarHBondContact CA-O 3.48Å; T754-H763 PolarHBondContact N-O 3.08Å; T754-H763 PolarHBondContact O-N 3.45Å; H763-W765 HydrophobicContact CB-CZ2 3.52Å; H763-W765 AromaticContact CG-CZ2 3.97Å; H763-W765 AromaticContact ND1-CZ2 3.76Å; H763-W765 PolarHBondContact O-NE1 2.89Å
764	M	98.1	Very high	93.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.2	171.2	179	179.5	177.9	0	0	109.2	S80 W81 F83 Y475 Y751 F753	S80-M764 PolarHBondContact N-O 2.87Å; W81-M764 HydrophobicContact CB-CB 3.99Å; W81-M764 HydrophobicContact CB-SD 4.02Å; W81-M764 PolarHBondContact N-O 3.17Å; W81-M764 PolarHBondContact O-N 2.66Å; F83-M764 HydrophobicContact CE2-CB 4.06Å; Y475-M764 HydrophobicContact CD2-CE 4.08Å; Y751-M764 HydrophobicContact CD1-CE 3.33Å; Y751-M764 HydrophobicContact CD1-CG 4.4Å; Y751-M764 HydrophobicContact CD2-CE 3.52Å; Y751-M764 HydrophobicContact CE1-CE 3.53Å; Y751-M764 HydrophobicContact CE2-CE 3.69Å; Y751-M764 HydrophobicContact CG-CE 3.33Å; F753-M764 HydrophobicContact CD1-CB 3.85Å; F753-M764 HydrophobicContact CD1-CG 3.96Å; F753-M764 HydrophobicContact CE1-CB 3.74Å; F753-M764 HydrophobicContact CE1-CE 4.41Å; F753-M764 HydrophobicContact CE1-CG 3.43Å; F753-M764 VanDerWaalsContact CE1-CG 3.43Å; F753-M764 HydrophobicContact CE1-SD 3.79Å; F753-M764 HydrophobicContact CZ-CE 4.27Å; F753-M764 HydrophobicContact CZ-CG 4.03Å; F753-M764 HydrophobicContact CZ-SD 4.25Å
765	W	97.7	Very high	92.4	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.4	-175.1	-53	91.4	0	0	0	109.9	I77 S78 P79 L710 I727 I728 A729 Y751 A752 T754 H763	I77-W765 HydrophobicContact CG2-CB 4.15Å; I77-W765 HydrophobicContact CG2-CD2 4.49Å; I77-W765 HydrophobicContact CG2-CE3 4.12Å; S78-W765 CarbonylContact O-C 3.54Å; S78-W765 WeakPolarHBondContact O-CA 3.39Å; P79-W765 HydrophobicContact CB-CE3 3.95Å; P79-W765 HydrophobicContact CB-CH2 4.38Å; P79-W765 HydrophobicContact CB-CZ3 3.7Å; P79-W765 HydrophobicContact CG-CZ3 4.19Å; L710-W765 HydrophobicContact CD2-CB 3.88Å; L710-W765 VanDerWaalsContact CD2-CD1 3.49Å; L710-W765 HydrophobicContact CD2-CD2 3.91Å; L710-W765 HydrophobicContact CD2-CG 3.46Å; L710-W765 VanDerWaalsContact CD2-CG 3.46Å; I727-W765 HydrophobicContact CD1-CE3 4.41Å; I727-W765 HydrophobicContact CD1-CZ3 3.73Å; I727-W765 HydrophobicContact CG1-CZ3 4.23Å; I727-W765 HydrophobicContact CG2-CE3 4.17Å; I727-W765 HydrophobicContact CG2-CH2 4.48Å; I727-W765 HydrophobicContact CG2-CZ3 4.01Å; I728-W765 WeakPolarHBondContact O-CH2 3.45Å; A729-W765 VanDerWaalsContact CA-CZ2 3.5Å; A729-W765 HydrophobicContact CB-CZ2 3.9Å; Y751-W765 CarbonylContact C-O 3.56Å; Y751-W765 WeakPolarHBondContact CA-O 3.41Å; A752-W765 HydrophobicContact CB-CB 4.36Å; A752-W765 PolarHBondContact N-O 3.03Å; A752-W765 PolarHBondContact O-N 3.14Å; T754-W765 PolarHBondContact OG1-NE1 3.33Å; H763-W765 HydrophobicContact CB-CZ2 3.52Å; H763-W765 AromaticContact CG-CZ2 3.97Å; H763-W765 AromaticContact ND1-CZ2 3.76Å; H763-W765 PolarHBondContact O-NE1 2.89Å
766	T	96	Very high	91.8	Very high	45 Å²	45	23.7 Å²	23.7	28%	0.276	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.8	167.8	-53.5	0	0	0	0	109.2	I77 S78 S80 Y751	I77-T766 WeakPolarHBondContact CA-O 3.3Å; S78-T766 PolarHBondContact N-O 3.21Å; S78-T766 VanDerWaalsContact N-O 3.11Å; S78-T766 PolarHBondContact O-N 2.88Å; S80-T766 WeakPolarHBondContact CB-OG1 3.47Å; Y751-T766 HydrophobicContact CE1-CG2 4.36Å
767	L	94.2	Very high	91.4	Very high	4 Å²	4	29 Å²	29	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.9	177.1	-58.6	179.7	0	0	0	110.1	I77 L691 V703 L750 A752 P769	I77-L767 HydrophobicContact CG1-CD2 4.21Å; I77-L767 HydrophobicContact CG2-CD2 4.29Å; L691-L767 HydrophobicContact CD1-CD1 3.64Å; V703-L767 HydrophobicContact CG2-CD1 3.92Å; L750-L767 PolarHBondContact O-N 3.05Å; A752-L767 HydrophobicContact CB-CD1 3.93Å; A752-L767 HydrophobicContact CB-CD2 4.17Å; A752-L767 HydrophobicContact CB-CG 4.2Å; L767-P769 WeakPolarHBondContact O-CD 3.42Å
768	N	92	Very high	91	Very high	56 Å²	56	35.6 Å²	35.6	30%	0.299	19%	0.186	S	C	.	.			trans	-124.3	77.9	173.4	-173	-1.4	0	0	0	110.5	A76 R770 I771	A76-N768 WeakPolarHBondContact CA-O 3.4Å; A76-N768 PolarHBondContact O-N 2.77Å; N768-R770 PolarHBondContact O-N 3.07Å; N768-R770 VanDerWaalsContact O-N 3.14Å; N768-I771 HydrophobicContact CB-CD1 3.77Å; N768-I771 WeakPolarHBondContact ND2-CD1 3.26Å; N768-I771 PolarHBondContact O-N 3.1Å
769	P	90.7	Very high	90.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-23.2	-175.9	23.3	-35.2	0	0	0	114.5	L691 N697 F701 L712 L767 I771 L772 E773	L691-P769 HydrophobicContact CD2-CB 4.35Å; L691-P769 HydrophobicContact CD2-CG 4.11Å; N697-P769 WeakPolarHBondContact ND2-CG 3.02Å; F701-P769 HydrophobicContact CD1-CB 3.9Å; F701-P769 HydrophobicContact CD2-CB 3.69Å; F701-P769 HydrophobicContact CD2-CG 4.44Å; F701-P769 HydrophobicContact CE1-CB 3.73Å; F701-P769 HydrophobicContact CE2-CB 3.55Å; F701-P769 HydrophobicContact CE2-CG 4.36Å; F701-P769 HydrophobicContact CG-CB 3.9Å; F701-P769 HydrophobicContact CZ-CB 3.57Å; L712-P769 HydrophobicContact CD2-CB 4Å; L767-P769 WeakPolarHBondContact O-CD 3.42Å; P769-I771 PolarHBondContact O-N 2.73Å; P769-L772 WeakPolarHBondContact O-CB 3.33Å; P769-L772 PolarHBondContact O-N 3.18Å; P769-L772 VanDerWaalsContact O-N 3.1Å; P769-E773 PolarHBondContact O-N 3.41Å
770	R	88.1	Confident	89.2	Confident	98 Å²	98	37.8 Å²	37.8	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-29.7	-178.4	-66	-166.9	-165.6	153.1	21.8	113.4	N696 N697 N768 L772 E773 I774	N696-R770 VanDerWaalsContact CB-NH2 3.26Å; N696-R770 PolarHBondContact ND2-NH2 3.32Å; N697-R770 WeakPolarHBondContact OD1-CG 3.48Å; N697-R770 PolarHBondContact OD1-NE 2.86Å; N768-R770 PolarHBondContact O-N 3.07Å; N768-R770 VanDerWaalsContact O-N 3.14Å; R770-L772 VanDerWaalsContact C-N 3.26Å; R770-L772 PolarHBondContact O-N 2.96Å; R770-E773 WeakPolarHBondContact O-CB 3.27Å; R770-E773 PolarHBondContact O-N 3.1Å; R770-I774 WeakPolarHBondContact O-CD1 3.29Å; R770-I774 VanDerWaalsContact O-CG1 3.24Å; R770-I774 WeakPolarHBondContact O-CG1 3.46Å; R770-I774 PolarHBondContact O-N 2.79Å
771	I	88.1	Confident	87.7	Confident	31 Å²	31	41.5 Å²	41.5	16%	0.159	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-43.3	178.4	-65.4	155.1	0	0	0	109.5	P74 E75 A76 N768 P769 E773 I774 T775	P74-I771 HydrophobicContact CB-CD1 3.76Å; P74-I771 HydrophobicContact CB-CG1 4.13Å; P74-I771 WeakPolarHBondContact O-CD1 3.36Å; E75-I771 WeakPolarHBondContact O-CD1 3.35Å; A76-I771 HydrophobicContact CB-CB 4.31Å; N768-I771 HydrophobicContact CB-CD1 3.77Å; N768-I771 WeakPolarHBondContact ND2-CD1 3.26Å; N768-I771 PolarHBondContact O-N 3.1Å; P769-I771 PolarHBondContact O-N 2.73Å; I771-E773 VanDerWaalsContact C-N 3.35Å; I771-E773 PolarHBondContact O-N 3.48Å; I771-I774 PolarHBondContact O-N 2.85Å; I771-T775 PolarHBondContact O-N 3.46Å; I771-T775 PolarHBondContact O-OG1 2.89Å
772	L	87.3	Confident	86	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.042	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-41.2	177.5	-165.9	60.8	0	0	0	111.4	F701 L712 M714 L722 K723 T725 P769 R770 T775 V776	F701-L772 HydrophobicContact CD1-CD2 4.35Å; F701-L772 HydrophobicContact CE1-CB 4.36Å; F701-L772 HydrophobicContact CE1-CD2 4.11Å; L712-L772 HydrophobicContact CD2-CD2 4.32Å; L712-L772 HydrophobicContact CG-CD2 4.42Å; M714-L772 HydrophobicContact CB-CD2 4.14Å; L722-L772 WeakPolarHBondContact O-CD1 3.25Å; K723-L772 WeakPolarHBondContact O-CD2 3.22Å; T725-L772 HydrophobicContact CG2-CD1 4.24Å; T725-L772 HydrophobicContact CG2-CD2 4.14Å; P769-L772 WeakPolarHBondContact O-CB 3.33Å; P769-L772 PolarHBondContact O-N 3.18Å; P769-L772 VanDerWaalsContact O-N 3.1Å; R770-L772 VanDerWaalsContact C-N 3.26Å; R770-L772 PolarHBondContact O-N 2.96Å; L772-T775 PolarHBondContact O-N 2.78Å; L772-V776 VanDerWaalsContact O-CG2 3.29Å; L772-V776 WeakPolarHBondContact O-CG2 3.36Å; L772-V776 PolarHBondContact O-N 2.72Å
773	E	87.4	Confident	84.4	Confident	24 Å²	24	49.1 Å²	49.1	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-45.1	174.9	-168.2	177.3	171.3	0	0	111.9	S698 M714 P769 R770 I771 V776 N777	S698-E773 WeakPolarHBondContact CB-OE1 3.21Å; S698-E773 PolarHBondContact N-OE1 2.88Å; S698-E773 PolarHBondContact OG-OE1 3.45Å; M714-E773 HydrophobicContact SD-CB 4.29Å; M714-E773 HydrophobicContact SD-CG 4.46Å; P769-E773 PolarHBondContact O-N 3.41Å; R770-E773 WeakPolarHBondContact O-CB 3.27Å; R770-E773 PolarHBondContact O-N 3.1Å; I771-E773 VanDerWaalsContact C-N 3.35Å; I771-E773 PolarHBondContact O-N 3.48Å; E773-V776 PolarHBondContact O-N 2.8Å; E773-N777 WeakPolarHBondContact O-CB 3.39Å; E773-N777 PolarHBondContact O-N 3.04Å; E773-N777 PolarHBondContact O-ND2 2.93Å
774	I	85.8	Confident	82.6	Confident	93 Å²	93	58.7 Å²	58.7	48%	0.477	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176	-67.5	163.4	0	0	0	110.7	R770 I771 V776 N777 I778	R770-I774 WeakPolarHBondContact O-CD1 3.29Å; R770-I774 VanDerWaalsContact O-CG1 3.24Å; R770-I774 WeakPolarHBondContact O-CG1 3.46Å; R770-I774 PolarHBondContact O-N 2.79Å; I771-I774 PolarHBondContact O-N 2.85Å; I774-V776 VanDerWaalsContact C-N 3.33Å; I774-V776 PolarHBondContact O-N 2.88Å; I774-N777 PolarHBondContact O-N 3.16Å; I774-I778 HydrophobicContact CG2-CD1 3.59Å; I774-I778 HydrophobicContact CG2-CG1 4.25Å; I774-I778 VanDerWaalsContact O-CG1 3.28Å; I774-I778 WeakPolarHBondContact O-CG1 3.26Å; I774-I778 PolarHBondContact O-N 3.48Å
775	T	84.8	Confident	81.2	Confident	61 Å²	61	59.9 Å²	59.9	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-57.5	-46.1	177.5	-60.2	0	0	0	0	111.4	I771 L772 A779	I771-T775 PolarHBondContact O-N 3.46Å; I771-T775 PolarHBondContact O-OG1 2.89Å; L772-T775 PolarHBondContact O-N 2.78Å; T775-A779 WeakPolarHBondContact O-CB 3.42Å; T775-A779 PolarHBondContact O-N 2.83Å
776	V	84.1	Confident	79.9	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.097	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-41.9	178.9	174.7	0	0	0	0	111.4	M714 L722 K723 L772 E773 I774 A779	M714-V776 HydrophobicContact CE-CB 3.89Å; M714-V776 HydrophobicContact CE-CG1 3.76Å; M714-V776 HydrophobicContact CE-CG2 3.78Å; L722-V776 HydrophobicContact CB-CG2 4.31Å; L722-V776 VanDerWaalsContact O-CG2 3.29Å; L722-V776 WeakPolarHBondContact O-CG2 3.28Å; K723-V776 HydrophobicContact CG-CG2 3.96Å; L772-V776 VanDerWaalsContact O-CG2 3.29Å; L772-V776 WeakPolarHBondContact O-CG2 3.36Å; L772-V776 PolarHBondContact O-N 2.72Å; E773-V776 PolarHBondContact O-N 2.8Å; I774-V776 VanDerWaalsContact C-N 3.33Å; I774-V776 PolarHBondContact O-N 2.88Å; V776-A779 PolarHBondContact O-N 3.29Å
777	N	84.3	Confident	78.8	Confident	112 Å²	112	62 Å²	62	60%	0.599	32%	0.319	S	S	*	.	H	α-helix	trans	-64.7	-40.6	179.5	-73.3	-20.2	0	0	0	112.7	E773 I774 A779	E773-N777 WeakPolarHBondContact O-CB 3.39Å; E773-N777 PolarHBondContact O-N 3.04Å; E773-N777 PolarHBondContact O-ND2 2.93Å; I774-N777 PolarHBondContact O-N 3.16Å; N777-A779 VanDerWaalsContact C-N 3.34Å
778	I	83.5	Confident	77.7	Confident	139 Å²	139	67.9 Å²	67.9	71%	0.713	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-40.1	177.6	-69.2	168	0	0	0	110.9	I774 G780	I774-I778 HydrophobicContact CG2-CD1 3.59Å; I774-I778 HydrophobicContact CG2-CG1 4.25Å; I774-I778 VanDerWaalsContact O-CG1 3.28Å; I774-I778 WeakPolarHBondContact O-CG1 3.26Å; I774-I778 PolarHBondContact O-N 3.48Å; I778-G780 PolarHBondContact O-N 3.15Å
779	A	76.4	Confident	76.5	Confident	48 Å²	48	68.4 Å²	68.4	40%	0.397	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.6	-174.3	0	0	0	0	0	114.1	L722 T775 V776 N777 R785	L722-A779 HydrophobicContact CD1-CB 3.69Å; T775-A779 WeakPolarHBondContact O-CB 3.42Å; T775-A779 PolarHBondContact O-N 2.83Å; V776-A779 PolarHBondContact O-N 3.29Å; N777-A779 VanDerWaalsContact C-N 3.34Å; A779-R785 PolarHBondContact O-NH2 3.33Å
780	G	70	Confident	75.6	Confident	47 Å²	47	69.2 Å²	69.2	49%	0.485	35%	0.354	S	S	.	.			trans	68.3	-136.4	172.1	0	0	0	0	0	115.8	I778 M782 R785	I778-G780 PolarHBondContact O-N 3.15Å; G780-M782 PolarHBondContact O-N 2.92Å; G780-R785 PolarHBondContact O-NH2 3.42Å
781	C	63.1	Low	75.1	Confident	88 Å²	88	67.4 Å²	67.4	60%	0.595	36%	0.357	S	S	*	.			trans	-67.9	123.3	-166.7	-176.1	0	0	0	0	114.1
782	M	60.1	Low	74.6	Confident	55 Å²	55	70.6 Å²	70.6	27%	0.271	38%	0.379	S	S	.	.	S	Bend	trans	-64.6	-40.4	-178.2	-164.7	-155.3	-59.1	0	0	113.8	D718 D720 G780 R784 R785 F786	D718-M782 HydrophobicContact CB-CE 4.39Å; D718-M782 HydrophobicContact CB-SD 4.3Å; D718-M782 WeakPolarHBondContact OD2-CE 3.45Å; D720-M782 HydrophobicContact CB-CG 4.02Å; D720-M782 HydrophobicContact CB-SD 4.26Å; G780-M782 PolarHBondContact O-N 2.92Å; M782-R784 VanDerWaalsContact C-N 3.28Å; M782-R784 PolarHBondContact O-N 3.28Å; M782-R784 VanDerWaalsContact O-N 3.15Å; M782-R785 WeakPolarHBondContact O-CB 3.5Å; M782-R785 PolarHBondContact O-N 2.76Å; M782-F786 HydrophobicContact CG-CE2 3.98Å; M782-F786 HydrophobicContact SD-CE2 3.85Å; M782-F786 HydrophobicContact SD-CZ 4.42Å
783	K	62.3	Low	74.3	Confident	106 Å²	106	75.8 Å²	75.8	46%	0.461	41%	0.407	S	S	.	.	H	α-helix	trans	-56.9	-36.6	-169.4	-74.3	-172.8	164.5	-157.4	0	113.9	R785 Y787 D870	K783-R785 VanDerWaalsContact C-N 3.26Å; K783-R785 PolarHBondContact O-N 3.35Å; K783-Y787 VanDerWaalsContact O-CD2 3.26Å; K783-Y787 WeakPolarHBondContact O-CD2 3.33Å; K783-D870 WeakPolarHBondContact CD-OD2 3.27Å; K783-D870 IonicContact NZ-OD2 2.81Å; K783-D870 PolarHBondContact NZ-OD2 3.17Å
784	R	61.4	Low	73.9	Confident	200 Å²	200	75.5 Å²	75.5	76%	0.755	41%	0.405	S	S	*	.	H	α-helix	trans	-65.7	-27.6	179.8	-77.2	-175.4	177.8	177	-1.5	113.1	M782 F786 Y787	M782-R784 VanDerWaalsContact C-N 3.28Å; M782-R784 PolarHBondContact O-N 3.28Å; M782-R784 VanDerWaalsContact O-N 3.15Å; R784-F786 PolarHBondContact O-N 3.03Å; R784-Y787 WeakPolarHBondContact O-CB 3.27Å; R784-Y787 PolarHBondContact O-N 3.13Å
785	R	68.7	Low	73.7	Confident	26 Å²	26	72.4 Å²	72.4	10%	0.098	39%	0.389	C	S	.	.	H	α-helix	trans	-72.6	-28.4	-172.8	-56.6	178.8	-168.9	155.6	5.1	113.2	D720 A779 G780 M782 K783 Y787 D788 F789	D720-R785 IonicContact OD1-NH1 3.78Å; D720-R785 PolarHBondContact OD1-NH1 2.86Å; D720-R785 IonicContact OD2-CZ 3.58Å; D720-R785 IonicContact OD2-NH1 2.79Å; D720-R785 PolarHBondContact OD2-NH1 3.41Å; A779-R785 PolarHBondContact O-NH2 3.33Å; G780-R785 PolarHBondContact O-NH2 3.42Å; M782-R785 WeakPolarHBondContact O-CB 3.5Å; M782-R785 PolarHBondContact O-N 2.76Å; K783-R785 VanDerWaalsContact C-N 3.26Å; K783-R785 PolarHBondContact O-N 3.35Å; R785-Y787 VanDerWaalsContact C-N 3.29Å; R785-D788 PolarHBondContact O-N 3.16Å; R785-F789 VanDerWaalsContact O-CD2 3.24Å; R785-F789 WeakPolarHBondContact O-CD2 3.22Å; R785-F789 WeakPolarHBondContact O-CE2 3.26Å
786	F	69.5	Low	73.7	Confident	31 Å²	31	75.4 Å²	75.4	14%	0.136	40%	0.399	C	S	.	.	H	α-helix	trans	-69.2	-32.3	176.7	-69.7	-74.6	0	0	0	112	D718 M782 R784 D788 F789 I873 Q874	D718-F786 WeakPolarHBondContact O-CZ 3.36Å; M782-F786 HydrophobicContact CG-CE2 3.98Å; M782-F786 HydrophobicContact SD-CE2 3.85Å; M782-F786 HydrophobicContact SD-CZ 4.42Å; R784-F786 PolarHBondContact O-N 3.03Å; F786-D788 VanDerWaalsContact C-N 3.31Å; F786-D788 PolarHBondContact O-N 3.39Å; F786-F789 PolarHBondContact O-N 2.97Å; F786-I873 HydrophobicContact CB-CG2 4.12Å; F786-Q874 HydrophobicContact CE2-CG 4.23Å; F786-Q874 HydrophobicContact CZ-CG 4.15Å
787	Y	72.6	Confident	73.6	Confident	59 Å²	59	78 Å²	78	23%	0.231	41%	0.41	C	S	.	.	H	α-helix	trans	-67.1	-32.3	174.8	-67.5	-76.8	0	0	0	112.4	K783 R784 R785 F789 L790 L795 D870 I873	K783-Y787 VanDerWaalsContact O-CD2 3.26Å; K783-Y787 WeakPolarHBondContact O-CD2 3.33Å; R784-Y787 WeakPolarHBondContact O-CB 3.27Å; R784-Y787 PolarHBondContact O-N 3.13Å; R785-Y787 VanDerWaalsContact C-N 3.29Å; Y787-F789 PolarHBondContact O-N 2.95Å; Y787-F789 VanDerWaalsContact O-N 3.15Å; Y787-L790 HydrophobicContact CD1-CD1 4.31Å; Y787-L790 PolarHBondContact O-N 3.07Å; Y787-L795 HydrophobicContact CD1-CD1 3.63Å; Y787-L795 HydrophobicContact CD1-CD2 3.67Å; Y787-L795 HydrophobicContact CD1-CG 4.3Å; Y787-L795 HydrophobicContact CE1-CD1 3.54Å; Y787-L795 HydrophobicContact CE1-CD2 4.18Å; Y787-D870 PolarHBondContact OH-OD1 2.81Å; Y787-I873 HydrophobicContact CD1-CD1 4.18Å; Y787-I873 HydrophobicContact CE1-CD1 3.42Å; Y787-I873 VanDerWaalsContact CE1-CD1 3.42Å
788	D	70.9	Confident	73.5	Confident	128 Å²	128	72.9 Å²	72.9	68%	0.684	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.8	178.7	-60.2	-26.7	0	0	0	112.8	R785 F786	R785-D788 PolarHBondContact O-N 3.16Å; F786-D788 VanDerWaalsContact C-N 3.31Å; F786-D788 PolarHBondContact O-N 3.39Å
789	F	67.9	Low	73.5	Confident	67 Å²	67	71 Å²	71	29%	0.294	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-33.9	170.6	-61.2	-66.6	0	0	0	111.4	P721 R785 F786 Y787 Y878	P721-F789 HydrophobicContact CG-CE2 3.86Å; P721-F789 HydrophobicContact CG-CZ 3.44Å; P721-F789 VanDerWaalsContact CG-CZ 3.44Å; R785-F789 VanDerWaalsContact O-CD2 3.24Å; R785-F789 WeakPolarHBondContact O-CD2 3.22Å; R785-F789 WeakPolarHBondContact O-CE2 3.26Å; F786-F789 PolarHBondContact O-N 2.97Å; Y787-F789 PolarHBondContact O-N 2.95Å; Y787-F789 VanDerWaalsContact O-N 3.15Å; F789-Y878 HydrophobicContact CB-CD1 4.31Å; F789-Y878 HydrophobicContact CB-CD2 3.71Å; F789-Y878 HydrophobicContact CB-CE1 4.04Å; F789-Y878 HydrophobicContact CB-CE2 3.38Å; F789-Y878 HydrophobicContact CB-CG 4.19Å; F789-Y878 WeakPolarHBondContact O-CE2 3.41Å; F789-Y878 PolarHBondContact O-OH 2.89Å
790	L	72.4	Confident	74.1	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.089	37%	0.372	C	S	.	.	S	Bend	trans	-77.7	138.8	-174.8	-58.4	165.2	0	0	0	110.8	Y787 F794 L795 M798 I873 Y878	Y787-L790 HydrophobicContact CD1-CD1 4.31Å; Y787-L790 PolarHBondContact O-N 3.07Å; L790-F794 HydrophobicContact CB-CD1 4.46Å; L790-F794 HydrophobicContact CD2-CD1 3.49Å; L790-F794 VanDerWaalsContact CD2-CD1 3.49Å; L790-F794 HydrophobicContact CD2-CE1 3.57Å; L790-L795 HydrophobicContact CB-CB 4.4Å; L790-L795 HydrophobicContact CD1-CD1 4.13Å; L790-M798 HydrophobicContact CD1-SD 4.32Å; L790-M798 HydrophobicContact CD2-SD 4.24Å; L790-I873 HydrophobicContact CD1-CD1 4.08Å; L790-I873 HydrophobicContact CD1-CG1 4.37Å; L790-I873 HydrophobicContact CD1-CG2 3.89Å; L790-Y878 HydrophobicContact CD2-CD2 3.54Å; L790-Y878 HydrophobicContact CD2-CE2 3.62Å; L790-Y878 HydrophobicContact CG-CD2 4.16Å; L790-Y878 HydrophobicContact CG-CE2 4.09Å
791	S	76.7	Confident	74.8	Confident	60 Å²	60	73.7 Å²	73.7	42%	0.42	36%	0.362	S	S	.	.			trans	-65.2	147.9	165.8	69.3	0	0	0	0	109.3	D793 F794 L795	S791-D793 VanDerWaalsContact C-N 3.26Å; S791-D793 PolarHBondContact O-N 3.41Å; S791-F794 PolarHBondContact O-N 2.81Å; S791-F794 WeakPolarHBondContact OG-CB 3.44Å; S791-F794 PolarHBondContact OG-N 3.47Å; S791-L795 PolarHBondContact O-N 2.78Å
792	P	78.3	Confident	75.8	Confident	97 Å²	97	69.9 Å²	69.9	63%	0.63	34%	0.335	S	S	*	.	H	α-helix	trans	-54.7	-43.1	179	-26.8	34.8	0	0	0	112.7	L795 E796	P792-L795 WeakPolarHBondContact O-CB 3.45Å; P792-L795 PolarHBondContact O-N 3.32Å; P792-E796 PolarHBondContact O-N 3.23Å
793	D	80.8	Confident	77	Confident	117 Å²	117	72 Å²	72	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-62.2	-46	179.7	-55.4	-21	0	0	0	111.3	S791 L795 E796 E797	S791-D793 VanDerWaalsContact C-N 3.26Å; S791-D793 PolarHBondContact O-N 3.41Å; D793-L795 VanDerWaalsContact C-N 3.3Å; D793-L795 PolarHBondContact O-N 3.3Å; D793-E796 PolarHBondContact O-N 3.25Å; D793-E796 VanDerWaalsContact O-N 3.16Å; D793-E797 PolarHBondContact O-N 3.23Å
794	F	78.1	Confident	78.1	Confident	19 Å²	19	73.4 Å²	73.4	8%	0.083	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-35.6	179.3	-176.3	-107	0	0	0	111.9	L790 S791 E797 M798 I836 I881 F885	L790-F794 HydrophobicContact CB-CD1 4.46Å; L790-F794 HydrophobicContact CD2-CD1 3.49Å; L790-F794 VanDerWaalsContact CD2-CD1 3.49Å; L790-F794 HydrophobicContact CD2-CE1 3.57Å; S791-F794 PolarHBondContact O-N 2.81Å; S791-F794 WeakPolarHBondContact OG-CB 3.44Å; S791-F794 PolarHBondContact OG-N 3.47Å; F794-E797 PolarHBondContact O-N 3.1Å; F794-M798 HydrophobicContact CD1-CG 4.28Å; F794-M798 HydrophobicContact CD1-SD 4.11Å; F794-M798 HydrophobicContact CE1-CG 3.71Å; F794-M798 HydrophobicContact CE1-SD 3.37Å; F794-M798 WeakPolarHBondContact CE1-SD 3.42Å; F794-M798 HydrophobicContact CE2-CG 4.37Å; F794-M798 HydrophobicContact CZ-CG 3.69Å; F794-M798 HydrophobicContact CZ-SD 3.84Å; F794-M798 WeakPolarHBondContact O-CG 3.5Å; F794-M798 PolarHBondContact O-N 3.18Å; F794-I836 HydrophobicContact CE2-CG2 3.85Å; F794-I836 HydrophobicContact CZ-CG2 3.7Å; F794-I881 HydrophobicContact CE1-CG2 4.06Å; F794-I881 HydrophobicContact CE2-CG2 3.9Å; F794-I881 HydrophobicContact CZ-CG2 3.34Å; F794-F885 HydrophobicContact CD2-CD2 4.31Å; F794-F885 HydrophobicContact CD2-CE2 4.32Å; F794-F885 HydrophobicContact CE2-CD2 4.31Å
795	L	81.5	Confident	79.2	Confident	27 Å²	27	64.5 Å²	64.5	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-37	174.2	175.7	60.8	0	0	0	112.4	Y787 L790 S791 P792 D793 K799 I873	Y787-L795 HydrophobicContact CD1-CD1 3.63Å; Y787-L795 HydrophobicContact CD1-CD2 3.67Å; Y787-L795 HydrophobicContact CD1-CG 4.3Å; Y787-L795 HydrophobicContact CE1-CD1 3.54Å; Y787-L795 HydrophobicContact CE1-CD2 4.18Å; L790-L795 HydrophobicContact CB-CB 4.4Å; L790-L795 HydrophobicContact CD1-CD1 4.13Å; S791-L795 PolarHBondContact O-N 2.78Å; P792-L795 WeakPolarHBondContact O-CB 3.45Å; P792-L795 PolarHBondContact O-N 3.32Å; D793-L795 VanDerWaalsContact C-N 3.3Å; D793-L795 PolarHBondContact O-N 3.3Å; L795-K799 WeakPolarHBondContact O-CG 3.43Å; L795-K799 PolarHBondContact O-N 3.22Å; L795-K799 VanDerWaalsContact O-N 3.11Å; L795-I873 HydrophobicContact CD1-CD1 4.11Å
796	E	84.5	Confident	79.9	Confident	124 Å²	124	64.3 Å²	64.3	58%	0.579	31%	0.313	S	S	*	.	H	α-helix	trans	-65.2	-45.7	173.9	-72.3	-175	177.6	0	0	111.2	P792 D793 M798 K799 D800	P792-E796 PolarHBondContact O-N 3.23Å; D793-E796 PolarHBondContact O-N 3.25Å; D793-E796 VanDerWaalsContact O-N 3.16Å; E796-M798 VanDerWaalsContact C-N 3.34Å; E796-M798 PolarHBondContact O-N 3.26Å; E796-K799 WeakPolarHBondContact O-CB 3.28Å; E796-K799 PolarHBondContact O-N 3.49Å; E796-K799 VanDerWaalsContact O-N 3.14Å; E796-D800 PolarHBondContact O-N 2.82Å
797	E	82.6	Confident	80.4	Confident	71 Å²	71	64 Å²	64	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-43.9	174.2	-71.5	-175.8	-171.2	0	0	112.3	D793 F794 K799 D800 Y801	D793-E797 PolarHBondContact O-N 3.23Å; F794-E797 PolarHBondContact O-N 3.1Å; E797-K799 VanDerWaalsContact C-N 3.31Å; E797-K799 PolarHBondContact O-N 3.03Å; E797-D800 WeakPolarHBondContact O-CB 3.32Å; E797-D800 PolarHBondContact O-N 3.08Å; E797-D800 VanDerWaalsContact O-N 3.15Å; E797-Y801 HydrophobicContact CB-CD2 4.46Å; E797-Y801 HydrophobicContact CB-CE2 4.01Å; E797-Y801 WeakPolarHBondContact O-CD2 3.38Å; E797-Y801 PolarHBondContact O-N 2.98Å
798	M	82	Confident	80.8	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-59.9	-40.5	176.4	-77.1	-166.9	77.8	0	0	112.5	L790 F794 E796 D800 Y801 F802 I836 F872 I873	L790-M798 HydrophobicContact CD1-SD 4.32Å; L790-M798 HydrophobicContact CD2-SD 4.24Å; F794-M798 HydrophobicContact CD1-CG 4.28Å; F794-M798 HydrophobicContact CD1-SD 4.11Å; F794-M798 HydrophobicContact CE1-CG 3.71Å; F794-M798 HydrophobicContact CE1-SD 3.37Å; F794-M798 WeakPolarHBondContact CE1-SD 3.42Å; F794-M798 HydrophobicContact CE2-CG 4.37Å; F794-M798 HydrophobicContact CZ-CG 3.69Å; F794-M798 HydrophobicContact CZ-SD 3.84Å; F794-M798 WeakPolarHBondContact O-CG 3.5Å; F794-M798 PolarHBondContact O-N 3.18Å; E796-M798 VanDerWaalsContact C-N 3.34Å; E796-M798 PolarHBondContact O-N 3.26Å; M798-D800 VanDerWaalsContact C-N 3.32Å; M798-Y801 PolarHBondContact O-N 3.49Å; M798-F802 WeakPolarHBondContact O-CB 3.19Å; M798-F802 PolarHBondContact O-N 3.01Å; M798-I836 HydrophobicContact CE-CD1 4.1Å; M798-I836 HydrophobicContact CG-CD1 4.15Å; M798-F872 HydrophobicContact CE-CD1 3.63Å; M798-F872 HydrophobicContact CE-CE1 3.56Å; M798-I873 HydrophobicContact CE-CG1 3.71Å; M798-I873 HydrophobicContact SD-CG1 4.21Å
799	K	84.5	Confident	81.3	Confident	100 Å²	100	64.4 Å²	64.4	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-41.5	175.7	-73.1	167.1	-176.3	167.3	0	110.9	L795 E796 E797 F802 Y803 L869	L795-K799 WeakPolarHBondContact O-CG 3.43Å; L795-K799 PolarHBondContact O-N 3.22Å; L795-K799 VanDerWaalsContact O-N 3.11Å; E796-K799 WeakPolarHBondContact O-CB 3.28Å; E796-K799 PolarHBondContact O-N 3.49Å; E796-K799 VanDerWaalsContact O-N 3.14Å; E797-K799 VanDerWaalsContact C-N 3.31Å; E797-K799 PolarHBondContact O-N 3.03Å; K799-F802 PolarHBondContact O-N 2.82Å; K799-Y803 WeakPolarHBondContact O-CB 3.32Å; K799-Y803 PolarHBondContact O-N 3.43Å; K799-L869 HydrophobicContact CG-CD2 3.67Å
800	D	87.2	Confident	81.8	Confident	84 Å²	84	64.1 Å²	64.1	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-46.2	177.6	-76.4	-5.6	0	0	0	111.6	E796 E797 M798 F802 Y803 Y804	E796-D800 PolarHBondContact O-N 2.82Å; E797-D800 WeakPolarHBondContact O-CB 3.32Å; E797-D800 PolarHBondContact O-N 3.08Å; E797-D800 VanDerWaalsContact O-N 3.15Å; M798-D800 VanDerWaalsContact C-N 3.32Å; D800-F802 VanDerWaalsContact C-N 3.32Å; D800-F802 PolarHBondContact O-N 2.82Å; D800-Y803 CarbonylContact O-C 3.54Å; D800-Y803 WeakPolarHBondContact O-CA 3.31Å; D800-Y803 WeakPolarHBondContact O-CB 3.38Å; D800-Y803 PolarHBondContact O-N 2.9Å; D800-Y803 VanDerWaalsContact O-N 3.11Å; D800-Y804 HydrophobicContact CB-CD2 4.47Å; D800-Y804 HydrophobicContact CB-CE2 3.98Å; D800-Y804 WeakPolarHBondContact O-CD2 3.48Å; D800-Y804 PolarHBondContact O-N 2.83Å
801	Y	85.2	Confident	81.9	Confident	68 Å²	68	64.9 Å²	64.9	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-40.7	175.4	-65.9	-50.2	0	0	0	112.5	E797 M798 Y803 Y804 S805 A835 I836	E797-Y801 HydrophobicContact CB-CD2 4.46Å; E797-Y801 HydrophobicContact CB-CE2 4.01Å; E797-Y801 WeakPolarHBondContact O-CD2 3.38Å; E797-Y801 PolarHBondContact O-N 2.98Å; M798-Y801 PolarHBondContact O-N 3.49Å; Y801-Y803 VanDerWaalsContact C-N 3.31Å; Y801-Y803 PolarHBondContact O-N 3.39Å; Y801-Y804 HydrophobicContact CD1-CD2 4.49Å; Y801-Y804 PolarHBondContact O-N 3Å; Y801-S805 WeakPolarHBondContact O-CB 3.47Å; Y801-S805 PolarHBondContact O-N 2.82Å; Y801-A835 HydrophobicContact CD1-CB 3.81Å; Y801-A835 HydrophobicContact CE1-CB 4.06Å; Y801-A835 HydrophobicContact CG-CB 4.26Å; Y801-I836 HydrophobicContact CD2-CD1 4.43Å; Y801-I836 HydrophobicContact CD2-CG1 3.48Å; Y801-I836 VanDerWaalsContact CD2-CG1 3.48Å; Y801-I836 HydrophobicContact CE2-CG1 3.91Å; Y801-I836 HydrophobicContact CG-CG1 4.3Å
802	F	85.6	Confident	81.8	Confident	8 Å²	8	68.2 Å²	68.2	4%	0.035	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-40.5	175	-159.5	-90.4	0	0	0	111	M798 K799 D800 S805 M806 I824 I867 L869 F872	M798-F802 WeakPolarHBondContact O-CB 3.19Å; M798-F802 PolarHBondContact O-N 3.01Å; K799-F802 PolarHBondContact O-N 2.82Å; D800-F802 VanDerWaalsContact C-N 3.32Å; D800-F802 PolarHBondContact O-N 2.82Å; F802-S805 PolarHBondContact O-N 2.99Å; F802-M806 HydrophobicContact CD1-CE 4.03Å; F802-M806 HydrophobicContact CD1-SD 4.36Å; F802-M806 HydrophobicContact CE1-CE 4.49Å; F802-M806 HydrophobicContact CE1-SD 4.28Å; F802-M806 WeakPolarHBondContact O-CG 3.47Å; F802-M806 PolarHBondContact O-N 2.79Å; F802-M806 VanDerWaalsContact O-N 3.17Å; F802-I824 HydrophobicContact CD1-CG2 3.95Å; F802-I824 HydrophobicContact CD2-CD1 3.92Å; F802-I824 HydrophobicContact CD2-CG1 4.34Å; F802-I824 HydrophobicContact CD2-CG2 4.24Å; F802-I824 HydrophobicContact CE1-CG2 3.62Å; F802-I824 HydrophobicContact CE2-CB 4.34Å; F802-I824 HydrophobicContact CE2-CD1 3.58Å; F802-I824 HydrophobicContact CE2-CG1 3.59Å; F802-I824 HydrophobicContact CE2-CG2 3.96Å; F802-I824 HydrophobicContact CG-CG2 4.24Å; F802-I824 HydrophobicContact CZ-CB 4.11Å; F802-I824 HydrophobicContact CZ-CD1 4.22Å; F802-I824 HydrophobicContact CZ-CG1 3.73Å; F802-I824 HydrophobicContact CZ-CG2 3.63Å; F802-I867 WeakPolarHBondContact CZ-O 3.31Å; F802-L869 HydrophobicContact CB-CD1 4.16Å; F802-L869 HydrophobicContact CD1-CB 4.46Å; F802-L869 HydrophobicContact CD2-CB 4.32Å; F802-L869 HydrophobicContact CD2-CD1 3.89Å; F802-L869 HydrophobicContact CE1-CB 4.44Å; F802-L869 HydrophobicContact CE2-CB 4.28Å; F802-L869 HydrophobicContact CG-CB 4.41Å; F802-L869 HydrophobicContact CG-CD1 4.09Å; F802-L869 HydrophobicContact CZ-CB 4.35Å; F802-F872 HydrophobicContact CE2-CB 4.42Å
803	Y	83.9	Confident	81.7	Confident	98 Å²	98	74.9 Å²	74.9	38%	0.384	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-43.3	175.2	-172.2	-104.3	0	0	0	113.1	K799 D800 Y801 S805 M806 I807	K799-Y803 WeakPolarHBondContact O-CB 3.32Å; K799-Y803 PolarHBondContact O-N 3.43Å; D800-Y803 CarbonylContact O-C 3.54Å; D800-Y803 WeakPolarHBondContact O-CA 3.31Å; D800-Y803 WeakPolarHBondContact O-CB 3.38Å; D800-Y803 PolarHBondContact O-N 2.9Å; D800-Y803 VanDerWaalsContact O-N 3.11Å; Y801-Y803 VanDerWaalsContact C-N 3.31Å; Y801-Y803 PolarHBondContact O-N 3.39Å; Y803-S805 VanDerWaalsContact C-N 3.34Å; Y803-S805 PolarHBondContact O-N 3.19Å; Y803-M806 HydrophobicContact CD2-CE 3.78Å; Y803-M806 HydrophobicContact CG-CE 4.45Å; Y803-M806 WeakPolarHBondContact O-CB 3.47Å; Y803-M806 PolarHBondContact O-N 2.9Å; Y803-I807 HydrophobicContact CD1-CD1 3.76Å; Y803-I807 HydrophobicContact CE1-CD1 3.4Å; Y803-I807 VanDerWaalsContact CE1-CD1 3.4Å; Y803-I807 HydrophobicContact CE1-CG1 4.23Å; Y803-I807 PolarHBondContact O-N 2.9Å; Y803-I807 VanDerWaalsContact O-N 3.07Å
804	Y	85.4	Confident	81.2	Confident	137 Å²	137	71.4 Å²	71.4	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-37.8	175.4	-65.4	-45.1	0	0	0	112.4	D800 Y801 M806 I807 R808	D800-Y804 HydrophobicContact CB-CD2 4.47Å; D800-Y804 HydrophobicContact CB-CE2 3.98Å; D800-Y804 WeakPolarHBondContact O-CD2 3.48Å; D800-Y804 PolarHBondContact O-N 2.83Å; Y801-Y804 HydrophobicContact CD1-CD2 4.49Å; Y801-Y804 PolarHBondContact O-N 3Å; Y804-M806 VanDerWaalsContact C-N 3.3Å; Y804-M806 PolarHBondContact O-N 2.84Å; Y804-I807 HydrophobicContact CD1-CD1 4.35Å; Y804-I807 PolarHBondContact O-N 3.08Å; Y804-R808 PolarHBondContact O-N 2.87Å
805	S	84.8	Confident	81.3	Confident	13 Å²	13	79.3 Å²	79.3	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-38.7	173.9	-173.9	0	0	0	0	112.1	Y801 F802 Y803 R808 T809	Y801-S805 WeakPolarHBondContact O-CB 3.47Å; Y801-S805 PolarHBondContact O-N 2.82Å; F802-S805 PolarHBondContact O-N 2.99Å; Y803-S805 VanDerWaalsContact C-N 3.34Å; Y803-S805 PolarHBondContact O-N 3.19Å; S805-R808 PolarHBondContact O-N 2.89Å; S805-T809 PolarHBondContact O-N 2.85Å; S805-T809 PolarHBondContact O-OG1 2.81Å
806	M	82.4	Confident	81	Confident	21 Å²	21	84 Å²	84	10%	0.103	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-44.4	173.5	-68.3	-173	-70.9	0	0	112.2	F802 Y803 Y804 R808 T809 Q810 S821 I824	F802-M806 HydrophobicContact CD1-CE 4.03Å; F802-M806 HydrophobicContact CD1-SD 4.36Å; F802-M806 HydrophobicContact CE1-CE 4.49Å; F802-M806 HydrophobicContact CE1-SD 4.28Å; F802-M806 WeakPolarHBondContact O-CG 3.47Å; F802-M806 PolarHBondContact O-N 2.79Å; F802-M806 VanDerWaalsContact O-N 3.17Å; Y803-M806 HydrophobicContact CD2-CE 3.78Å; Y803-M806 HydrophobicContact CG-CE 4.45Å; Y803-M806 WeakPolarHBondContact O-CB 3.47Å; Y803-M806 PolarHBondContact O-N 2.9Å; Y804-M806 VanDerWaalsContact C-N 3.3Å; Y804-M806 PolarHBondContact O-N 2.84Å; M806-R808 VanDerWaalsContact C-N 3.31Å; M806-R808 PolarHBondContact O-N 2.83Å; M806-T809 PolarHBondContact O-N 2.82Å; M806-Q810 WeakPolarHBondContact O-CG 3.33Å; M806-Q810 PolarHBondContact O-N 3.04Å; M806-Q810 VanDerWaalsContact O-N 3.15Å; M806-S821 PolarHBondContact SD-OG 2.9Å; M806-I824 HydrophobicContact CG-CG2 3.45Å; M806-I824 VanDerWaalsContact CG-CG2 3.45Å; M806-I824 HydrophobicContact SD-CG2 4.47Å
807	I	81.7	Confident	80.5	Confident	24 Å²	24	87 Å²	87	12%	0.123	41%	0.412	C	S	.	.	H	α-helix	trans	-60.6	-43	176.1	-67.6	168.5	0	0	0	110.7	Y803 Y804 T809 Q810 G811	Y803-I807 HydrophobicContact CD1-CD1 3.76Å; Y803-I807 HydrophobicContact CE1-CD1 3.4Å; Y803-I807 VanDerWaalsContact CE1-CD1 3.4Å; Y803-I807 HydrophobicContact CE1-CG1 4.23Å; Y803-I807 PolarHBondContact O-N 2.9Å; Y803-I807 VanDerWaalsContact O-N 3.07Å; Y804-I807 HydrophobicContact CD1-CD1 4.35Å; Y804-I807 PolarHBondContact O-N 3.08Å; I807-T809 VanDerWaalsContact C-N 3.34Å; I807-T809 PolarHBondContact O-N 2.85Å; I807-Q810 PolarHBondContact O-N 3.1Å; I807-G811 PolarHBondContact O-N 2.9Å
808	R	81	Confident	80	Confident	114 Å²	114	89.5 Å²	89.5	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-45.2	177.9	-175.5	-178.8	173.3	-157.2	-2.7	111.2	Y804 S805 M806 Q810 G811 F831 D952	Y804-R808 PolarHBondContact O-N 2.87Å; S805-R808 PolarHBondContact O-N 2.89Å; M806-R808 VanDerWaalsContact C-N 3.31Å; M806-R808 PolarHBondContact O-N 2.83Å; R808-Q810 VanDerWaalsContact C-N 3.28Å; R808-Q810 PolarHBondContact O-N 2.78Å; R808-G811 PolarHBondContact O-N 3.36Å; R808-F831 VanDerWaalsContact NH1-CD2 3.33Å; R808-D952 IonicContact NH2-OD2 3.32Å; R808-D952 PolarHBondContact NH2-OD2 3.25Å
809	T	80.2	Confident	79.3	Confident	82 Å²	82	97.4 Å²	97.4	50%	0.503	45%	0.452	S	S	.	.	H	α-helix	trans	-62.9	-34	-179.5	-54.4	0	0	0	0	112.3	S805 M806 I807 G811 P825	S805-T809 PolarHBondContact O-N 2.85Å; S805-T809 PolarHBondContact O-OG1 2.81Å; M806-T809 PolarHBondContact O-N 2.82Å; I807-T809 VanDerWaalsContact C-N 3.34Å; I807-T809 PolarHBondContact O-N 2.85Å; T809-G811 VanDerWaalsContact C-N 3.27Å; T809-G811 PolarHBondContact O-N 2.84Å; T809-P825 HydrophobicContact CG2-CG 3.8Å
810	Q	78.7	Confident	78.4	Confident	62 Å²	62	97.8 Å²	97.8	29%	0.29	46%	0.463	S	S	.	.	H	α-helix	trans	-80.3	-7.4	177.2	-66.1	176.7	19.1	0	0	113.5	M806 I807 R808 C814 K819	M806-Q810 WeakPolarHBondContact O-CG 3.33Å; M806-Q810 PolarHBondContact O-N 3.04Å; M806-Q810 VanDerWaalsContact O-N 3.15Å; I807-Q810 PolarHBondContact O-N 3.1Å; R808-Q810 VanDerWaalsContact C-N 3.28Å; R808-Q810 PolarHBondContact O-N 2.78Å; Q810-C814 VanDerWaalsContact O-CB 3.31Å; Q810-C814 WeakPolarHBondContact O-CB 3.23Å; Q810-K819 PolarHBondContact NE2-O 2.9Å
811	G	75	Confident	77.4	Confident	32 Å²	32	95.8 Å²	95.8	33%	0.33	46%	0.456	S	S	.	.			trans	87.7	120.7	-173.8	0	0	0	0	0	111.8	I807 R808 T809 R813 C814	I807-G811 PolarHBondContact O-N 2.9Å; R808-G811 PolarHBondContact O-N 3.36Å; T809-G811 VanDerWaalsContact C-N 3.27Å; T809-G811 PolarHBondContact O-N 2.84Å; G811-R813 PolarHBondContact O-N 3.48Å; G811-R813 VanDerWaalsContact O-N 3.11Å; G811-C814 WeakPolarHBondContact O-CB 3.5Å; G811-C814 PolarHBondContact O-N 2.69Å
812	I	74.9	Confident	77.1	Confident	130 Å²	130	101.1 Å²	101.1	67%	0.667	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.8	-176.5	-59.7	169.1	0	0	0	112.1
813	R	75.4	Confident	77.1	Confident	238 Å²	238	102.6 Å²	102.6	90%	0.898	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	15.1	-179.8	-62.3	-175.4	179.6	173.3	1.7	113.9	G811 M815	G811-R813 PolarHBondContact O-N 3.48Å; G811-R813 VanDerWaalsContact O-N 3.11Å; R813-M815 PolarHBondContact O-N 2.87Å
814	C	71.5	Confident	77.3	Confident	44 Å²	44	98 Å²	98	30%	0.297	47%	0.472	S	S	.	.			trans	-64	131	178	-174.1	0	0	0	0	110.7	Q810 G811 D816	Q810-C814 VanDerWaalsContact O-CB 3.31Å; Q810-C814 WeakPolarHBondContact O-CB 3.23Å; G811-C814 WeakPolarHBondContact O-CB 3.5Å; G811-C814 PolarHBondContact O-N 2.69Å; C814-D816 VanDerWaalsContact SG-CB 3.56Å; C814-D816 PolarHBondContact SG-N 3.29Å; C814-D816 VanDerWaalsContact SG-N 3.37Å
815	M	79	Confident	77.4	Confident	184 Å²	184	93.1 Å²	93.1	91%	0.906	46%	0.458	S	S	*	.			trans	-93.4	-7.1	175.1	-64.1	-65.7	-70.4	0	0	112.3	R813	R813-M815 PolarHBondContact O-N 2.87Å
816	D	75.2	Confident	77.6	Confident	127 Å²	127	93.5 Å²	93.5	68%	0.679	46%	0.458	S	S	*	.	S	Bend	trans	-74.5	159.1	178.5	-59	-41.4	0	0	0	111.2	C814 R818	C814-D816 VanDerWaalsContact SG-CB 3.56Å; C814-D816 PolarHBondContact SG-N 3.29Å; C814-D816 VanDerWaalsContact SG-N 3.37Å; D816-R818 PolarHBondContact O-N 2.97Å
817	E	73.9	Confident	77.8	Confident	186 Å²	186	97 Å²	97	87%	0.869	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-60.6	120.6	174.4	-170.5	176.2	-173.4	0	0	110.1	K819	E817-K819 PolarHBondContact O-N 3.2Å
818	R	72.6	Confident	78	Confident	123 Å²	123	96.1 Å²	96.1	46%	0.464	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-65.4	119.9	179.9	-70.1	-175	-177.6	159.2	0.9	109.8	D816 T820	D816-R818 PolarHBondContact O-N 2.97Å; R818-T820 PolarHBondContact O-N 2.94Å
819	K	66.9	Low	78.3	Confident	170 Å²	170	90.8 Å²	90.8	74%	0.739	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-80.5	117.2	174	-63.1	-177.9	-177.6	175.2	0	108.1	Q810 E817 S821	Q810-K819 PolarHBondContact NE2-O 2.9Å; E817-K819 PolarHBondContact O-N 3.2Å; K819-S821 PolarHBondContact O-N 2.93Å
820	T	64.9	Low	78.6	Confident	108 Å²	108	87.5 Å²	87.5	66%	0.663	44%	0.438	S	S	*	.			trans	-76.1	91.4	170	53.5	0	0	0	0	108.2	R818	R818-T820 PolarHBondContact O-N 2.94Å
821	S	67	Low	78.9	Confident	43 Å²	43	88.1 Å²	88.1	30%	0.301	44%	0.44	S	S	.	.			trans	-73.3	159.3	162.1	53.9	0	0	0	0	109.3	M806 K819 T823	M806-S821 PolarHBondContact SD-OG 2.9Å; K819-S821 PolarHBondContact O-N 2.93Å; S821-T823 VanDerWaalsContact C-N 3.27Å; S821-T823 PolarHBondContact OG-O 3.2Å
822	F	79	Confident	79.4	Confident	180 Å²	180	86.8 Å²	86.8	79%	0.789	43%	0.425	S	S	*	.	S	Bend	trans	-95	10	167	-64.5	-75.9	0	0	0	111.4	D868	F822-D868 WeakPolarHBondContact O-CA 3.28Å
823	T	85.7	Confident	79.7	Confident	38 Å²	38	80.7 Å²	80.7	23%	0.233	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.4	-170	54.3	0	0	0	0	111.6	S821 E866 I867 D868	S821-T823 VanDerWaalsContact C-N 3.27Å; S821-T823 PolarHBondContact OG-O 3.2Å; T823-E866 WeakPolarHBondContact CB-OE2 3.31Å; T823-E866 PolarHBondContact OG1-OE2 3.44Å; T823-I867 CarbonylContact C-O 3.59Å; T823-I867 WeakPolarHBondContact CA-O 3.32Å; T823-I867 WeakPolarHBondContact CB-O 3.38Å; T823-D868 HydrophobicContact CG2-CB 4.09Å
824	I	87.4	Confident	80.1	Confident	1 Å²	1	73 Å²	73	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154	171.4	65.4	173.2	0	0	0	109.3	F802 M806 V832 E866 I867	F802-I824 HydrophobicContact CD1-CG2 3.95Å; F802-I824 HydrophobicContact CD2-CD1 3.92Å; F802-I824 HydrophobicContact CD2-CG1 4.34Å; F802-I824 HydrophobicContact CD2-CG2 4.24Å; F802-I824 HydrophobicContact CE1-CG2 3.62Å; F802-I824 HydrophobicContact CE2-CB 4.34Å; F802-I824 HydrophobicContact CE2-CD1 3.58Å; F802-I824 HydrophobicContact CE2-CG1 3.59Å; F802-I824 HydrophobicContact CE2-CG2 3.96Å; F802-I824 HydrophobicContact CG-CG2 4.24Å; F802-I824 HydrophobicContact CZ-CB 4.11Å; F802-I824 HydrophobicContact CZ-CD1 4.22Å; F802-I824 HydrophobicContact CZ-CG1 3.73Å; F802-I824 HydrophobicContact CZ-CG2 3.63Å; M806-I824 HydrophobicContact CG-CG2 3.45Å; M806-I824 VanDerWaalsContact CG-CG2 3.45Å; M806-I824 HydrophobicContact SD-CG2 4.47Å; I824-V832 HydrophobicContact CD1-CG2 3.86Å; I824-E866 CarbonylContact O-C 3.51Å; I824-E866 VanDerWaalsContact O-CA 3.28Å; I824-E866 WeakPolarHBondContact O-CA 3.22Å; I824-I867 HydrophobicContact CD1-CG2 4.07Å; I824-I867 HydrophobicContact CG1-CG2 3.45Å; I824-I867 VanDerWaalsContact CG1-CG2 3.45Å; I824-I867 PolarHBondContact N-O 2.91Å; I824-I867 PolarHBondContact O-N 2.82Å
825	P	89	Confident	80.6	Confident	35 Å²	35	73.2 Å²	73.2	23%	0.227	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.7	171.5	27.6	-35.6	0	0	0	110.6	T809 T827 G828	T809-P825 HydrophobicContact CG2-CG 3.8Å; P825-T827 PolarHBondContact O-N 2.97Å; P825-T827 VanDerWaalsContact O-N 3.14Å; P825-G828 WeakPolarHBondContact O-CA 3.48Å; P825-G828 PolarHBondContact O-N 3.41Å
826	I	87.4	Confident	80.5	Confident	21 Å²	21	64.8 Å²	64.8	11%	0.108	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-60.1	-25.4	179.2	59.2	-179.3	0	0	0	113.3	G828 I829 I849 I852 K853 T865	I826-G828 PolarHBondContact O-N 3.22Å; I826-I829 HydrophobicContact CB-CD1 4.16Å; I826-I829 HydrophobicContact CG2-CD1 4.46Å; I826-I829 WeakPolarHBondContact O-CB 3.49Å; I826-I829 VanDerWaalsContact O-CD1 3.29Å; I826-I829 WeakPolarHBondContact O-CD1 3.49Å; I826-I829 VanDerWaalsContact O-CG1 3.24Å; I826-I829 WeakPolarHBondContact O-CG1 3.33Å; I826-I829 PolarHBondContact O-N 3.15Å; I826-I849 HydrophobicContact CD1-CG2 4.1Å; I826-I852 HydrophobicContact CG2-CB 4.35Å; I826-I852 HydrophobicContact CG2-CG2 3.63Å; I826-K853 HydrophobicContact CD1-CB 4.48Å; I826-T865 PolarHBondContact N-O 2.84Å
827	T	87.2	Confident	80.4	Confident	95 Å²	95	59.3 Å²	59.3	58%	0.583	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-67.6	-14.7	172.9	53.1	0	0	0	0	112.9	P825	P825-T827 PolarHBondContact O-N 2.97Å; P825-T827 VanDerWaalsContact O-N 3.14Å
828	G	86.9	Confident	80.6	Confident	5 Å²	5	52 Å²	52	5%	0.052	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-77.9	-19.7	175.6	0	0	0	0	0	114.5	P825 I826 F831 V832	P825-G828 WeakPolarHBondContact O-CA 3.48Å; P825-G828 PolarHBondContact O-N 3.41Å; I826-G828 PolarHBondContact O-N 3.22Å; G828-F831 PolarHBondContact O-N 2.89Å; G828-V832 PolarHBondContact O-N 2.79Å; G828-V832 VanDerWaalsContact O-N 3.16Å
829	I	86.3	Confident	80.8	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.015	28%	0.277	C	S	.	.	H	α-helix	trans	-51.3	-54.9	-176.9	-66.3	167.9	0	0	0	113.3	I826 F831 V832 M833 I852 I867 F872	I826-I829 HydrophobicContact CB-CD1 4.16Å; I826-I829 HydrophobicContact CG2-CD1 4.46Å; I826-I829 WeakPolarHBondContact O-CB 3.49Å; I826-I829 VanDerWaalsContact O-CD1 3.29Å; I826-I829 WeakPolarHBondContact O-CD1 3.49Å; I826-I829 VanDerWaalsContact O-CG1 3.24Å; I826-I829 WeakPolarHBondContact O-CG1 3.33Å; I826-I829 PolarHBondContact O-N 3.15Å; I829-F831 PolarHBondContact O-N 2.92Å; I829-V832 PolarHBondContact O-N 2.84Å; I829-M833 HydrophobicContact CG2-CG 4.38Å; I829-M833 HydrophobicContact CG2-SD 3.58Å; I829-M833 VanDerWaalsContact CG2-SD 3.58Å; I829-M833 WeakPolarHBondContact O-CG 3.4Å; I829-M833 PolarHBondContact O-N 2.95Å; I829-I852 HydrophobicContact CD1-CD1 3.25Å; I829-I852 HydrophobicContact CG1-CD1 4.49Å; I829-I867 HydrophobicContact CD1-CD1 4.44Å; I829-I867 HydrophobicContact CG1-CG2 4.29Å; I829-F872 HydrophobicContact CG2-CE2 4.22Å
830	P	85.8	Confident	81.3	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-35	-177.3	21.3	-33.5	0	0	0	112.4	R834 V845	P830-R834 WeakPolarHBondContact O-CB 3.47Å; P830-R834 WeakPolarHBondContact O-CD 3.38Å; P830-R834 WeakPolarHBondContact O-CG 3.34Å; P830-R834 PolarHBondContact O-N 3.44Å; P830-V845 HydrophobicContact CB-CG1 3.96Å; P830-V845 HydrophobicContact CB-CG2 4.02Å; P830-V845 HydrophobicContact CG-CG1 4.01Å
831	F	86.1	Confident	81.9	Confident	75 Å²	75	42.3 Å²	42.3	33%	0.329	22%	0.219	S	C	.	.	H	α-helix	trans	-70.1	-42.2	179.4	-59.6	-72.5	0	0	0	112.6	R808 G828 I829 M833 R834 A835 D952	R808-F831 VanDerWaalsContact NH1-CD2 3.33Å; G828-F831 PolarHBondContact O-N 2.89Å; I829-F831 PolarHBondContact O-N 2.92Å; F831-M833 VanDerWaalsContact C-N 3.31Å; F831-M833 PolarHBondContact O-N 2.97Å; F831-R834 PolarHBondContact O-N 3.22Å; F831-A835 WeakPolarHBondContact O-CB 3.37Å; F831-A835 PolarHBondContact O-N 2.73Å; F831-D952 WeakPolarHBondContact CZ-OD2 3.37Å
832	V	85	Confident	82.6	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-41.6	176.7	179.5	0	0	0	0	110.1	I824 G828 I829 A835 I836 F872	I824-V832 HydrophobicContact CD1-CG2 3.86Å; G828-V832 PolarHBondContact O-N 2.79Å; G828-V832 VanDerWaalsContact O-N 3.16Å; I829-V832 PolarHBondContact O-N 2.84Å; V832-A835 PolarHBondContact O-N 2.8Å; V832-I836 HydrophobicContact CG1-CD1 3.84Å; V832-I836 WeakPolarHBondContact O-CD1 3.3Å; V832-I836 VanDerWaalsContact O-CG1 3.24Å; V832-I836 WeakPolarHBondContact O-CG1 3.26Å; V832-I836 PolarHBondContact O-N 2.98Å; V832-F872 HydrophobicContact CB-CE2 4.2Å; V832-F872 HydrophobicContact CB-CZ 3.81Å; V832-F872 HydrophobicContact CG1-CE1 3.66Å; V832-F872 HydrophobicContact CG1-CE2 4.14Å; V832-F872 HydrophobicContact CG1-CZ 3.37Å
833	M	82.3	Confident	82.7	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-46.1	178.2	-66.4	176.9	70.6	0	0	112.2	I829 F831 A835 I836 G837 F838 P840 M848 F872 V876	I829-M833 HydrophobicContact CG2-CG 4.38Å; I829-M833 HydrophobicContact CG2-SD 3.58Å; I829-M833 VanDerWaalsContact CG2-SD 3.58Å; I829-M833 WeakPolarHBondContact O-CG 3.4Å; I829-M833 PolarHBondContact O-N 2.95Å; F831-M833 VanDerWaalsContact C-N 3.31Å; F831-M833 PolarHBondContact O-N 2.97Å; M833-A835 VanDerWaalsContact C-N 3.31Å; M833-A835 PolarHBondContact O-N 2.94Å; M833-I836 WeakPolarHBondContact O-CB 3.36Å; M833-I836 PolarHBondContact O-N 3.44Å; M833-G837 PolarHBondContact O-N 2.9Å; M833-F838 CarbonylContact C-O 3.51Å; M833-F838 HydrophobicContact CB-CD1 4.42Å; M833-F838 HydrophobicContact CE-CD1 3.24Å; M833-F838 HydrophobicContact CE-CE1 3.3Å; M833-F838 PolarHBondContact O-N 3.48Å; M833-P840 HydrophobicContact CB-CG 4.46Å; M833-P840 HydrophobicContact CE-CB 4.27Å; M833-P840 HydrophobicContact CE-CG 3.94Å; M833-P840 HydrophobicContact SD-CG 4.32Å; M833-M848 HydrophobicContact CE-CE 3.47Å; M833-M848 VanDerWaalsContact CE-CE 3.47Å; M833-M848 HydrophobicContact CE-SD 3.46Å; M833-M848 WeakPolarHBondContact CE-SD 3.47Å; M833-M848 HydrophobicContact SD-CE 3.38Å; M833-M848 WeakPolarHBondContact SD-CE 3.25Å; M833-M848 HydrophobicContact SD-SD 3.48Å; M833-F872 HydrophobicContact CG-CE2 4.12Å; M833-F872 HydrophobicContact CG-CZ 3.84Å; M833-V876 HydrophobicContact CE-CG1 3.74Å; M833-V876 HydrophobicContact CE-CG2 4.3Å; M833-V876 HydrophobicContact CG-CG1 4.45Å; M833-V876 HydrophobicContact CG-CG2 4.2Å; M833-V876 HydrophobicContact SD-CG1 4.49Å; M833-V876 HydrophobicContact SD-CG2 4.08Å
834	R	83.2	Confident	82.6	Confident	75 Å²	75	38.6 Å²	38.6	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-61.8	-39.3	176.5	-70.5	167.6	-174.7	168	2.5	111.6	P830 F831 I836 G837 F838 Y839 E842	P830-R834 WeakPolarHBondContact O-CB 3.47Å; P830-R834 WeakPolarHBondContact O-CD 3.38Å; P830-R834 WeakPolarHBondContact O-CG 3.34Å; P830-R834 PolarHBondContact O-N 3.44Å; F831-R834 PolarHBondContact O-N 3.22Å; R834-I836 VanDerWaalsContact C-N 3.32Å; R834-I836 PolarHBondContact O-N 3.28Å; R834-G837 WeakPolarHBondContact O-CA 3.49Å; R834-G837 PolarHBondContact O-N 3.04Å; R834-F838 WeakPolarHBondContact CA-O 3.24Å; R834-F838 PolarHBondContact N-O 2.97Å; R834-Y839 HydrophobicContact CB-CD1 4.29Å; R834-Y839 HydrophobicContact CB-CE1 4.09Å; R834-Y839 HydrophobicContact CG-CD1 3.83Å; R834-Y839 HydrophobicContact CG-CE1 4.12Å; R834-E842 IonicContact CZ-OE1 3.51Å; R834-E842 IonicContact NH2-OE1 3.81Å; R834-E842 PolarHBondContact NH2-OE1 3.07Å
835	A	81.8	Confident	82.4	Confident	49 Å²	49	38.9 Å²	38.9	41%	0.405	20%	0.203	S	C	.	.	H	α-helix	trans	-64.5	-35.8	175.9	0	0	0	0	0	112.9	Y801 F831 V832 M833 G837	Y801-A835 HydrophobicContact CD1-CB 3.81Å; Y801-A835 HydrophobicContact CE1-CB 4.06Å; Y801-A835 HydrophobicContact CG-CB 4.26Å; F831-A835 WeakPolarHBondContact O-CB 3.37Å; F831-A835 PolarHBondContact O-N 2.73Å; V832-A835 PolarHBondContact O-N 2.8Å; M833-A835 VanDerWaalsContact C-N 3.31Å; M833-A835 PolarHBondContact O-N 2.94Å; A835-G837 PolarHBondContact O-N 3.17Å
836	I	77.8	Confident	82.3	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.036	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10	173.2	-69.8	165.5	0	0	0	112	F794 M798 Y801 V832 M833 R834 F872 I881	F794-I836 HydrophobicContact CE2-CG2 3.85Å; F794-I836 HydrophobicContact CZ-CG2 3.7Å; M798-I836 HydrophobicContact CE-CD1 4.1Å; M798-I836 HydrophobicContact CG-CD1 4.15Å; Y801-I836 HydrophobicContact CD2-CD1 4.43Å; Y801-I836 HydrophobicContact CD2-CG1 3.48Å; Y801-I836 VanDerWaalsContact CD2-CG1 3.48Å; Y801-I836 HydrophobicContact CE2-CG1 3.91Å; Y801-I836 HydrophobicContact CG-CG1 4.3Å; V832-I836 HydrophobicContact CG1-CD1 3.84Å; V832-I836 WeakPolarHBondContact O-CD1 3.3Å; V832-I836 VanDerWaalsContact O-CG1 3.24Å; V832-I836 WeakPolarHBondContact O-CG1 3.26Å; V832-I836 PolarHBondContact O-N 2.98Å; M833-I836 WeakPolarHBondContact O-CB 3.36Å; M833-I836 PolarHBondContact O-N 3.44Å; R834-I836 VanDerWaalsContact C-N 3.32Å; R834-I836 PolarHBondContact O-N 3.28Å; I836-F872 HydrophobicContact CD1-CE1 3.96Å; I836-F872 HydrophobicContact CD1-CZ 4.31Å; I836-I881 HydrophobicContact CG2-CB 4.4Å; I836-I881 HydrophobicContact CG2-CD1 4.4Å; I836-I881 HydrophobicContact CG2-CG1 4.24Å; I836-I881 HydrophobicContact CG2-CG2 3.32Å
837	G	73.2	Confident	82.2	Confident	13 Å²	13	43.1 Å²	43.1	13%	0.134	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	8.1	-179.4	0	0	0	0	0	114.1	M833 R834 A835 Y839	M833-G837 PolarHBondContact O-N 2.9Å; R834-G837 WeakPolarHBondContact O-CA 3.49Å; R834-G837 PolarHBondContact O-N 3.04Å; A835-G837 PolarHBondContact O-N 3.17Å; G837-Y839 WeakPolarHBondContact O-CD2 3.49Å; G837-Y839 WeakPolarHBondContact O-CE2 3.48Å
838	F	76.4	Confident	82	Confident	31 Å²	31	39.8 Å²	39.8	14%	0.136	20%	0.198	C	C	.	.			trans	-102.1	123	174.2	179.9	-112.9	0	0	0	110.8	M833 R834 P840 D880 I881 A884	M833-F838 CarbonylContact C-O 3.51Å; M833-F838 HydrophobicContact CB-CD1 4.42Å; M833-F838 HydrophobicContact CE-CD1 3.24Å; M833-F838 HydrophobicContact CE-CE1 3.3Å; M833-F838 PolarHBondContact O-N 3.48Å; R834-F838 WeakPolarHBondContact CA-O 3.24Å; R834-F838 PolarHBondContact N-O 2.97Å; F838-P840 HydrophobicContact CD1-CB 4.41Å; F838-P840 HydrophobicContact CD1-CG 4.41Å; F838-P840 HydrophobicContact CE1-CB 3.75Å; F838-P840 HydrophobicContact CE1-CG 4.22Å; F838-P840 HydrophobicContact CZ-CB 4.26Å; F838-P840 WeakPolarHBondContact O-CD 3.15Å; F838-D880 HydrophobicContact CD2-CB 4.04Å; F838-D880 HydrophobicContact CE1-CB 4.45Å; F838-D880 HydrophobicContact CE2-CB 3.57Å; F838-D880 HydrophobicContact CZ-CB 3.8Å; F838-I881 HydrophobicContact CB-CG1 4.3Å; F838-A884 HydrophobicContact CB-CB 4.43Å; F838-A884 HydrophobicContact CD2-CB 4.31Å
839	Y	78.5	Confident	82.1	Confident	168 Å²	168	41.5 Å²	41.5	66%	0.659	21%	0.206	S	C	*	.			trans	-110.6	82.5	-174.7	-64.2	-93.2	0	0	0	109.7	R834 G837	R834-Y839 HydrophobicContact CB-CD1 4.29Å; R834-Y839 HydrophobicContact CB-CE1 4.09Å; R834-Y839 HydrophobicContact CG-CD1 3.83Å; R834-Y839 HydrophobicContact CG-CE1 4.12Å; G837-Y839 WeakPolarHBondContact O-CD2 3.49Å; G837-Y839 WeakPolarHBondContact O-CE2 3.48Å
840	P	76.5	Confident	82.1	Confident	9 Å²	9	42 Å²	42	6%	0.058	21%	0.208	C	C	.	.			trans	-66.1	151.5	176.7	29.4	-36.1	0	0	0	110.9	M833 F838 E844 V845 M848	M833-P840 HydrophobicContact CB-CG 4.46Å; M833-P840 HydrophobicContact CE-CB 4.27Å; M833-P840 HydrophobicContact CE-CG 3.94Å; M833-P840 HydrophobicContact SD-CG 4.32Å; F838-P840 HydrophobicContact CD1-CB 4.41Å; F838-P840 HydrophobicContact CD1-CG 4.41Å; F838-P840 HydrophobicContact CE1-CB 3.75Å; F838-P840 HydrophobicContact CE1-CG 4.22Å; F838-P840 HydrophobicContact CZ-CB 4.26Å; F838-P840 WeakPolarHBondContact O-CD 3.15Å; P840-E844 HydrophobicContact CB-CB 4.01Å; P840-V845 HydrophobicContact CB-CG2 4.03Å; P840-V845 HydrophobicContact CG-CG2 3.59Å; P840-M848 HydrophobicContact CB-CE 3.94Å; P840-M848 HydrophobicContact CG-CE 4.05Å
841	T	78.2	Confident	82.1	Confident	21 Å²	21	42.4 Å²	42.4	13%	0.129	21%	0.209	C	C	.	.			trans	-63.2	152.8	167.6	55.8	0	0	0	0	111.1	Q633 A843 E844 V845 E930	Q633-T841 VanDerWaalsContact OE1-CB 3.27Å; Q633-T841 PolarHBondContact OE1-OG1 3.43Å; Q633-T841 VanDerWaalsContact OE1-OG1 3.1Å; T841-A843 PolarHBondContact O-N 3.03Å; T841-E844 PolarHBondContact N-OE2 3.5Å; T841-E844 WeakPolarHBondContact O-CA 3.3Å; T841-E844 WeakPolarHBondContact O-CB 3.45Å; T841-E844 PolarHBondContact O-N 3.48Å; T841-E844 VanDerWaalsContact OG1-CB 3.24Å; T841-E844 WeakPolarHBondContact OG1-CB 3.48Å; T841-E844 WeakPolarHBondContact OG1-CG 3.41Å; T841-E844 PolarHBondContact OG1-N 2.86Å; T841-E844 PolarHBondContact OG1-OE2 3.4Å; T841-V845 WeakPolarHBondContact O-CG2 3.39Å; T841-V845 PolarHBondContact O-N 3.36Å; T841-E930 VanDerWaalsContact CA-OE2 3.3Å; T841-E930 WeakPolarHBondContact CA-OE2 3.07Å; T841-E930 WeakPolarHBondContact CB-OE1 3.47Å; T841-E930 WeakPolarHBondContact CB-OE2 3.41Å; T841-E930 HydrophobicContact CG2-CG 3.82Å
842	E	81.9	Confident	82.1	Confident	105 Å²	105	39.1 Å²	39.1	49%	0.491	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-34.2	178.1	-71.1	-59.5	147.1	0	0	111.7	R834 V845 E846 E930	R834-E842 IonicContact CZ-OE1 3.51Å; R834-E842 IonicContact NH2-OE1 3.81Å; R834-E842 PolarHBondContact NH2-OE1 3.07Å; E842-V845 PolarHBondContact O-N 2.78Å; E842-E846 WeakPolarHBondContact O-CB 3.18Å; E842-E846 PolarHBondContact O-N 3.09Å; E842-E930 VanDerWaalsContact N-CD 3.32Å; E842-E930 PolarHBondContact N-OE1 3.32Å; E842-E930 VanDerWaalsContact N-OE1 3.14Å; E842-E930 PolarHBondContact N-OE2 3.34Å
843	A	81.1	Confident	82.3	Confident	25 Å²	25	42 Å²	42	21%	0.207	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-34.4	171.9	0	0	0	0	0	113.3	Q633 T841 N847 E930	Q633-A843 VanDerWaalsContact CD-CB 3.49Å; Q633-A843 HydrophobicContact CG-CB 4.3Å; T841-A843 PolarHBondContact O-N 3.03Å; A843-N847 WeakPolarHBondContact O-CB 3.35Å; A843-N847 PolarHBondContact O-N 3.09Å; A843-N847 PolarHBondContact O-ND2 3.03Å; A843-E930 PolarHBondContact N-OE1 2.93Å
844	E	81.8	Confident	82.4	Confident	54 Å²	54	43.7 Å²	43.7	25%	0.252	21%	0.214	S	C	.	.	H	α-helix	trans	-66.6	-40.9	171.6	-77.9	169.4	143.1	0	0	111.2	K661 P840 T841 E846 N847 M848	K661-E844 IonicContact NZ-OE1 2.88Å; K661-E844 PolarHBondContact NZ-OE1 3.29Å; P840-E844 HydrophobicContact CB-CB 4.01Å; T841-E844 PolarHBondContact N-OE2 3.5Å; T841-E844 WeakPolarHBondContact O-CA 3.3Å; T841-E844 WeakPolarHBondContact O-CB 3.45Å; T841-E844 PolarHBondContact O-N 3.48Å; T841-E844 VanDerWaalsContact OG1-CB 3.24Å; T841-E844 WeakPolarHBondContact OG1-CB 3.48Å; T841-E844 WeakPolarHBondContact OG1-CG 3.41Å; T841-E844 PolarHBondContact OG1-N 2.86Å; T841-E844 PolarHBondContact OG1-OE2 3.4Å; E844-E846 VanDerWaalsContact C-N 3.35Å; E844-N847 PolarHBondContact O-N 2.73Å; E844-M848 WeakPolarHBondContact O-CE 3.33Å; E844-M848 WeakPolarHBondContact O-CG 3.46Å; E844-M848 PolarHBondContact O-N 3.29Å
845	V	84.7	Confident	82.4	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-47.7	173.3	175.3	0	0	0	0	110.4	P830 P840 T841 E842 N847 M848 I849	P830-V845 HydrophobicContact CB-CG1 3.96Å; P830-V845 HydrophobicContact CB-CG2 4.02Å; P830-V845 HydrophobicContact CG-CG1 4.01Å; P840-V845 HydrophobicContact CB-CG2 4.03Å; P840-V845 HydrophobicContact CG-CG2 3.59Å; T841-V845 WeakPolarHBondContact O-CG2 3.39Å; T841-V845 PolarHBondContact O-N 3.36Å; E842-V845 PolarHBondContact O-N 2.78Å; V845-N847 VanDerWaalsContact C-N 3.34Å; V845-N847 PolarHBondContact O-N 3.29Å; V845-M848 HydrophobicContact CG2-CE 4.21Å; V845-M848 PolarHBondContact O-N 3.27Å; V845-I849 HydrophobicContact CG1-CD1 3.76Å; V845-I849 HydrophobicContact CG1-CG1 4.41Å; V845-I849 WeakPolarHBondContact O-CB 3.34Å; V845-I849 VanDerWaalsContact O-CG1 3.31Å; V845-I849 WeakPolarHBondContact O-CG1 3.42Å; V845-I849 PolarHBondContact O-N 2.74Å
846	E	85.9	Confident	82.3	Confident	118 Å²	118	46.6 Å²	46.6	55%	0.551	23%	0.228	S	C	*	.	H	α-helix	trans	-60	-43.4	176.4	-165.1	-168.1	163.9	0	0	111.7	E842 E844 M848 I849 N850	E842-E846 WeakPolarHBondContact O-CB 3.18Å; E842-E846 PolarHBondContact O-N 3.09Å; E844-E846 VanDerWaalsContact C-N 3.35Å; E846-M848 PolarHBondContact O-N 3.08Å; E846-I849 PolarHBondContact O-N 3.36Å; E846-N850 VanDerWaalsContact O-CB 3.3Å; E846-N850 WeakPolarHBondContact O-CB 3.35Å; E846-N850 VanDerWaalsContact O-CG 3.28Å; E846-N850 PolarHBondContact O-N 3.01Å; E846-N850 PolarHBondContact O-ND2 3.1Å
847	N	85.5	Confident	82.5	Confident	28 Å²	28	49.3 Å²	49.3	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-41.9	177.3	-72.5	-37.2	0	0	0	112.3	C672 A843 E844 V845 N850 E851	C672-N847 HydrophobicContact CB-CB 4.38Å; C672-N847 WeakPolarHBondContact CB-OD1 3.49Å; A843-N847 WeakPolarHBondContact O-CB 3.35Å; A843-N847 PolarHBondContact O-N 3.09Å; A843-N847 PolarHBondContact O-ND2 3.03Å; E844-N847 PolarHBondContact O-N 2.73Å; V845-N847 VanDerWaalsContact C-N 3.34Å; V845-N847 PolarHBondContact O-N 3.29Å; N847-N850 PolarHBondContact O-N 3.12Å; N847-E851 WeakPolarHBondContact O-CB 3.25Å; N847-E851 PolarHBondContact O-N 3.26Å
848	M	83.8	Confident	82.7	Confident	25 Å²	25	51.5 Å²	51.5	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-44.2	176.3	-71.6	-177.8	-69.7	0	0	111.8	M833 P840 E844 V845 E846 N850 E851 I852	M833-M848 HydrophobicContact CE-CE 3.47Å; M833-M848 VanDerWaalsContact CE-CE 3.47Å; M833-M848 HydrophobicContact CE-SD 3.46Å; M833-M848 WeakPolarHBondContact CE-SD 3.47Å; M833-M848 HydrophobicContact SD-CE 3.38Å; M833-M848 WeakPolarHBondContact SD-CE 3.25Å; M833-M848 HydrophobicContact SD-SD 3.48Å; P840-M848 HydrophobicContact CB-CE 3.94Å; P840-M848 HydrophobicContact CG-CE 4.05Å; E844-M848 WeakPolarHBondContact O-CE 3.33Å; E844-M848 WeakPolarHBondContact O-CG 3.46Å; E844-M848 PolarHBondContact O-N 3.29Å; V845-M848 HydrophobicContact CG2-CE 4.21Å; V845-M848 PolarHBondContact O-N 3.27Å; E846-M848 PolarHBondContact O-N 3.08Å; M848-N850 VanDerWaalsContact C-N 3.32Å; M848-N850 PolarHBondContact O-N 2.92Å; M848-E851 PolarHBondContact O-N 2.81Å; M848-I852 WeakPolarHBondContact O-CD1 3.43Å; M848-I852 PolarHBondContact O-N 3.04Å; M848-I852 VanDerWaalsContact O-N 3.14Å
849	I	87.5	Confident	82.7	Confident	40 Å²	40	56.5 Å²	56.5	21%	0.205	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-44.1	175.7	-70.2	172.3	0	0	0	110.1	I826 V845 E846 I852 K853	I826-I849 HydrophobicContact CD1-CG2 4.1Å; V845-I849 HydrophobicContact CG1-CD1 3.76Å; V845-I849 HydrophobicContact CG1-CG1 4.41Å; V845-I849 WeakPolarHBondContact O-CB 3.34Å; V845-I849 VanDerWaalsContact O-CG1 3.31Å; V845-I849 WeakPolarHBondContact O-CG1 3.42Å; V845-I849 PolarHBondContact O-N 2.74Å; E846-I849 PolarHBondContact O-N 3.36Å; I849-I852 PolarHBondContact O-N 3.36Å; I849-K853 WeakPolarHBondContact O-CB 3.19Å; I849-K853 PolarHBondContact O-N 3.11Å
850	N	87.3	Confident	83	Confident	14 Å²	14	52.3 Å²	52.3	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-43.1	177.5	-78.5	-31.4	0	0	0	111.9	E846 N847 M848 I852 K853 Y854	E846-N850 VanDerWaalsContact O-CB 3.3Å; E846-N850 WeakPolarHBondContact O-CB 3.35Å; E846-N850 VanDerWaalsContact O-CG 3.28Å; E846-N850 PolarHBondContact O-N 3.01Å; E846-N850 PolarHBondContact O-ND2 3.1Å; N847-N850 PolarHBondContact O-N 3.12Å; M848-N850 VanDerWaalsContact C-N 3.32Å; M848-N850 PolarHBondContact O-N 2.92Å; N850-I852 VanDerWaalsContact C-N 3.3Å; N850-I852 PolarHBondContact O-N 2.68Å; N850-K853 PolarHBondContact O-N 2.79Å; N850-Y854 HydrophobicContact CB-CD2 4.45Å; N850-Y854 VanDerWaalsContact O-CD2 3.24Å; N850-Y854 WeakPolarHBondContact O-CD2 3.26Å; N850-Y854 PolarHBondContact O-N 2.86Å; N850-Y854 VanDerWaalsContact O-N 3.15Å
851	E	86	Confident	83.3	Confident	22 Å²	22	54.3 Å²	54.3	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-54.1	-47.5	175.1	173.9	167.9	168.6	0	0	111.7	R673 K674 T675 N847 M848 S855	R673-E851 WeakPolarHBondContact O-CA 3.48Å; R673-E851 WeakPolarHBondContact O-CB 2.75Å; R673-E851 WeakPolarHBondContact O-CG 3.44Å; K674-E851 WeakPolarHBondContact CA-OE2 3.35Å; T675-E851 PolarHBondContact N-OE2 3.25Å; N847-E851 WeakPolarHBondContact O-CB 3.25Å; N847-E851 PolarHBondContact O-N 3.26Å; M848-E851 PolarHBondContact O-N 2.81Å; E851-S855 PolarHBondContact O-N 3.25Å
852	I	86.4	Confident	83.8	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-76.4	-44.6	-178	-63.9	152.9	0	0	0	111.5	I826 I829 M848 I849 N850 Y854 S855 T864 I867	I826-I852 HydrophobicContact CG2-CB 4.35Å; I826-I852 HydrophobicContact CG2-CG2 3.63Å; I829-I852 HydrophobicContact CD1-CD1 3.25Å; I829-I852 HydrophobicContact CG1-CD1 4.49Å; M848-I852 WeakPolarHBondContact O-CD1 3.43Å; M848-I852 PolarHBondContact O-N 3.04Å; M848-I852 VanDerWaalsContact O-N 3.14Å; I849-I852 PolarHBondContact O-N 3.36Å; N850-I852 VanDerWaalsContact C-N 3.3Å; N850-I852 PolarHBondContact O-N 2.68Å; I852-Y854 PolarHBondContact O-N 2.78Å; I852-S855 VanDerWaalsContact O-CB 3.27Å; I852-S855 WeakPolarHBondContact O-CB 3.46Å; I852-S855 PolarHBondContact O-N 3.21Å; I852-S855 VanDerWaalsContact O-N 3.1Å; I852-S855 PolarHBondContact O-OG 3.42Å; I852-T864 HydrophobicContact CG2-CG2 4.26Å; I852-T864 WeakPolarHBondContact O-CB 3.31Å; I852-T864 PolarHBondContact O-OG1 2.83Å; I852-I867 HydrophobicContact CD1-CD1 3.43Å; I852-I867 VanDerWaalsContact CD1-CD1 3.43Å; I852-I867 HydrophobicContact CD1-CG1 4.21Å; I852-I867 HydrophobicContact CG1-CD1 4.14Å; I852-I867 HydrophobicContact CG2-CB 4.34Å; I852-I867 HydrophobicContact CG2-CG1 4.4Å
853	K	87.9	Confident	84.1	Confident	64 Å²	64	60.9 Å²	60.9	28%	0.278	32%	0.315	S	S	.	.	H	α-helix	trans	-54.4	-40.4	-178.9	179.1	179.7	177.2	179.2	0	112.3	I826 I849 N850 Y863 T864	I826-K853 HydrophobicContact CD1-CB 4.48Å; I849-K853 WeakPolarHBondContact O-CB 3.19Å; I849-K853 PolarHBondContact O-N 3.11Å; N850-K853 PolarHBondContact O-N 2.79Å; K853-Y863 HydrophobicContact CG-CD1 3.9Å; K853-Y863 HydrophobicContact CG-CG 4.2Å; K853-T864 PolarHBondContact O-N 3.38Å
854	Y	85.8	Confident	84.4	Confident	37 Å²	37	60.8 Å²	60.8	15%	0.145	31%	0.312	C	S	.	.	H	α-helix	trans	-97.3	-2.2	-178.4	-65.6	-79.1	0	0	0	114.4	N850 I852 K856 F857 Y863	N850-Y854 HydrophobicContact CB-CD2 4.45Å; N850-Y854 VanDerWaalsContact O-CD2 3.24Å; N850-Y854 WeakPolarHBondContact O-CD2 3.26Å; N850-Y854 PolarHBondContact O-N 2.86Å; N850-Y854 VanDerWaalsContact O-N 3.15Å; I852-Y854 PolarHBondContact O-N 2.78Å; Y854-K856 PolarHBondContact O-N 2.7Å; Y854-K856 VanDerWaalsContact O-N 3.11Å; Y854-F857 HydrophobicContact CD1-CB 4.15Å; Y854-F857 HydrophobicContact CD1-CD1 4.22Å; Y854-F857 HydrophobicContact CD1-CG 4.1Å; Y854-F857 WeakPolarHBondContact O-CB 3.37Å; Y854-F857 PolarHBondContact O-N 2.88Å; Y854-F857 VanDerWaalsContact O-N 3.12Å; Y854-Y863 HydrophobicContact CD1-CD1 4.31Å; Y854-Y863 AromaticContact CD1-CE1 3.98Å; Y854-Y863 HydrophobicContact CD1-CE1 3.98Å; Y854-Y863 HydrophobicContact CE1-CD1 4.19Å; Y854-Y863 AromaticContact CE1-CE1 3.5Å; Y854-Y863 HydrophobicContact CE1-CE1 3.5Å
855	S	81.6	Confident	84.7	Confident	69 Å²	69	62.6 Å²	62.6	48%	0.483	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-40.3	-176.1	58	0	0	0	0	114.4	E851 I852 T864	E851-S855 PolarHBondContact O-N 3.25Å; I852-S855 VanDerWaalsContact O-CB 3.27Å; I852-S855 WeakPolarHBondContact O-CB 3.46Å; I852-S855 PolarHBondContact O-N 3.21Å; I852-S855 VanDerWaalsContact O-N 3.1Å; I852-S855 PolarHBondContact O-OG 3.42Å; S855-T864 PolarHBondContact OG-OG1 2.97Å
856	K	80.5	Confident	84.9	Confident	117 Å²	117	67.2 Å²	67.2	51%	0.509	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-1.7	-178.6	-63.9	177.4	-177	172.2	0	113.6	Y854 C858 E859 T860	Y854-K856 PolarHBondContact O-N 2.7Å; Y854-K856 VanDerWaalsContact O-N 3.11Å; K856-C858 VanDerWaalsContact C-N 3.32Å; K856-C858 PolarHBondContact O-N 3.2Å; K856-E859 PolarHBondContact O-N 2.85Å; K856-T860 HydrophobicContact CB-CG2 4.25Å; K856-T860 PolarHBondContact O-N 2.76Å; K856-T860 PolarHBondContact O-OG1 2.76Å
857	F	83.1	Confident	85	Confident	63 Å²	63	61.9 Å²	61.9	28%	0.276	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-38.6	-170.1	-178.4	-101.3	0	0	0	113.1	Y854 E859 G861 Y863	Y854-F857 HydrophobicContact CD1-CB 4.15Å; Y854-F857 HydrophobicContact CD1-CD1 4.22Å; Y854-F857 HydrophobicContact CD1-CG 4.1Å; Y854-F857 WeakPolarHBondContact O-CB 3.37Å; Y854-F857 PolarHBondContact O-N 2.88Å; Y854-F857 VanDerWaalsContact O-N 3.12Å; F857-E859 PolarHBondContact O-N 3.39Å; F857-G861 WeakPolarHBondContact CE2-O 3.38Å; F857-G861 WeakPolarHBondContact O-CA 3.39Å; F857-G861 PolarHBondContact O-N 3.34Å; F857-Y863 AromaticContact CD2-CD1 3.64Å; F857-Y863 HydrophobicContact CD2-CD1 3.64Å; F857-Y863 AromaticContact CD2-CE1 3.52Å; F857-Y863 HydrophobicContact CD2-CE1 3.52Å; F857-Y863 HydrophobicContact CD2-CG 4.49Å; F857-Y863 HydrophobicContact CE2-CD1 4.01Å; F857-Y863 AromaticContact CE2-CE1 3.49Å; F857-Y863 HydrophobicContact CE2-CE1 3.49Å; F857-Y863 VanDerWaalsContact CE2-CE1 3.49Å; F857-Y863 AromaticContact CE2-CZ 3.87Å; F857-Y863 HydrophobicContact CG-CD1 4.42Å; F857-Y863 HydrophobicContact CG-CE1 4.28Å; F857-Y863 HydrophobicContact CZ-CE1 4.23Å
858	C	75.9	Confident	85.1	Confident	59 Å²	59	62.8 Å²	62.8	40%	0.399	33%	0.328	S	S	.	.	H	α-helix	trans	-67.6	-17.7	176.5	-72.1	0	0	0	0	113.9	K649 E650 K856	K649-C858 HydrophobicContact CB-CB 3.93Å; K649-C858 HydrophobicContact CD-CB 3.8Å; E650-C858 WeakPolarHBondContact CG-SG 3.5Å; E650-C858 PolarHBondContact OE1-SG 3.14Å; E650-C858 VanDerWaalsContact OE1-SG 3.34Å; K856-C858 VanDerWaalsContact C-N 3.32Å; K856-C858 PolarHBondContact O-N 3.2Å
859	E	78	Confident	85.1	Confident	137 Å²	137	62.9 Å²	62.9	64%	0.64	33%	0.329	S	S	*	.	H	α-helix	trans	-101.1	-40.6	-177.2	-34.7	-155.2	120.8	0	0	111.7	K649 K856 F857	K649-E859 VanDerWaalsContact NZ-CG 3.31Å; K649-E859 IonicContact NZ-OE1 2.87Å; K649-E859 PolarHBondContact NZ-OE1 3.27Å; K856-E859 PolarHBondContact O-N 2.85Å; F857-E859 PolarHBondContact O-N 3.39Å
860	T	83.3	Confident	84.7	Confident	79 Å²	79	63.3 Å²	63.3	49%	0.485	33%	0.332	S	S	.	.	H	α-helix	trans	-100.6	-24.4	-175	61.2	0	0	0	0	113	K856 E862	K856-T860 HydrophobicContact CB-CG2 4.25Å; K856-T860 PolarHBondContact O-N 2.76Å; K856-T860 PolarHBondContact O-OG1 2.76Å; T860-E862 PolarHBondContact O-N 2.95Å; T860-E862 PolarHBondContact OG1-N 3.31Å; T860-E862 VanDerWaalsContact OG1-N 3.07Å; T860-E862 PolarHBondContact OG1-O 2.82Å
861	G	83.7	Confident	84.3	Confident	51 Å²	51	65 Å²	65	53%	0.526	34%	0.343	S	S	.	.	S	Bend	trans	72.1	2.1	-165.9	0	0	0	0	0	113.9	F857	F857-G861 WeakPolarHBondContact CE2-O 3.38Å; F857-G861 WeakPolarHBondContact O-CA 3.39Å; F857-G861 PolarHBondContact O-N 3.34Å
862	E	87.3	Confident	84.2	Confident	143 Å²	143	64 Å²	64	67%	0.668	34%	0.338	S	S	*	.	S	Bend	trans	-113.5	146.8	-176.6	-65.4	-174.7	166.4	0	0	110.9	T860	T860-E862 PolarHBondContact O-N 2.95Å; T860-E862 PolarHBondContact OG1-N 3.31Å; T860-E862 VanDerWaalsContact OG1-N 3.07Å; T860-E862 PolarHBondContact OG1-O 2.82Å
863	Y	88.9	Confident	83.7	Confident	121 Å²	121	64.5 Å²	64.5	48%	0.475	34%	0.34	S	S	.	.			trans	-76.8	135.5	175.4	-61.7	-54.4	0	0	0	110.9	K853 Y854 F857 T865	K853-Y863 HydrophobicContact CG-CD1 3.9Å; K853-Y863 HydrophobicContact CG-CG 4.2Å; Y854-Y863 HydrophobicContact CD1-CD1 4.31Å; Y854-Y863 AromaticContact CD1-CE1 3.98Å; Y854-Y863 HydrophobicContact CD1-CE1 3.98Å; Y854-Y863 HydrophobicContact CE1-CD1 4.19Å; Y854-Y863 AromaticContact CE1-CE1 3.5Å; Y854-Y863 HydrophobicContact CE1-CE1 3.5Å; F857-Y863 AromaticContact CD2-CD1 3.64Å; F857-Y863 HydrophobicContact CD2-CD1 3.64Å; F857-Y863 AromaticContact CD2-CE1 3.52Å; F857-Y863 HydrophobicContact CD2-CE1 3.52Å; F857-Y863 HydrophobicContact CD2-CG 4.49Å; F857-Y863 HydrophobicContact CE2-CD1 4.01Å; F857-Y863 AromaticContact CE2-CE1 3.49Å; F857-Y863 HydrophobicContact CE2-CE1 3.49Å; F857-Y863 VanDerWaalsContact CE2-CE1 3.49Å; F857-Y863 AromaticContact CE2-CZ 3.87Å; F857-Y863 HydrophobicContact CG-CD1 4.42Å; F857-Y863 HydrophobicContact CG-CE1 4.28Å; F857-Y863 HydrophobicContact CZ-CE1 4.23Å; Y863-T865 PolarHBondContact O-N 2.78Å
864	T	87.2	Confident	83	Confident	23 Å²	23	64.8 Å²	64.8	14%	0.141	34%	0.343	C	S	.	.			trans	-75.2	121.9	170.5	-50.2	0	0	0	0	109.1	I852 K853 S855 E866	I852-T864 HydrophobicContact CG2-CG2 4.26Å; I852-T864 WeakPolarHBondContact O-CB 3.31Å; I852-T864 PolarHBondContact O-OG1 2.83Å; K853-T864 PolarHBondContact O-N 3.38Å; S855-T864 PolarHBondContact OG-OG1 2.97Å; T864-E866 WeakPolarHBondContact CG2-O 3.44Å
865	T	88.5	Confident	82.2	Confident	92 Å²	92	63.7 Å²	63.7	56%	0.564	34%	0.34	S	S	*	.			trans	-104.5	-10.7	-179.9	53.8	0	0	0	0	113.9	I826 Y863	I826-T865 PolarHBondContact N-O 2.84Å; Y863-T865 PolarHBondContact O-N 2.78Å
866	E	89.4	Confident	81.4	Confident	104 Å²	104	60.8 Å²	60.8	49%	0.486	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.8	-175.3	-62.8	-176.1	-168.3	0	0	111.4	T823 I824 T864	T823-E866 WeakPolarHBondContact CB-OE2 3.31Å; T823-E866 PolarHBondContact OG1-OE2 3.44Å; I824-E866 CarbonylContact O-C 3.51Å; I824-E866 VanDerWaalsContact O-CA 3.28Å; I824-E866 WeakPolarHBondContact O-CA 3.22Å; T864-E866 WeakPolarHBondContact CG2-O 3.44Å
867	I	87.8	Confident	80.3	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.9	179.5	-165.1	-169.3	0	0	0	110	F802 T823 I824 I829 I852 T871 F872	F802-I867 WeakPolarHBondContact CZ-O 3.31Å; T823-I867 CarbonylContact C-O 3.59Å; T823-I867 WeakPolarHBondContact CA-O 3.32Å; T823-I867 WeakPolarHBondContact CB-O 3.38Å; I824-I867 HydrophobicContact CD1-CG2 4.07Å; I824-I867 HydrophobicContact CG1-CG2 3.45Å; I824-I867 VanDerWaalsContact CG1-CG2 3.45Å; I824-I867 PolarHBondContact N-O 2.91Å; I824-I867 PolarHBondContact O-N 2.82Å; I829-I867 HydrophobicContact CD1-CD1 4.44Å; I829-I867 HydrophobicContact CG1-CG2 4.29Å; I852-I867 HydrophobicContact CD1-CD1 3.43Å; I852-I867 VanDerWaalsContact CD1-CD1 3.43Å; I852-I867 HydrophobicContact CD1-CG1 4.21Å; I852-I867 HydrophobicContact CG1-CD1 4.14Å; I852-I867 HydrophobicContact CG2-CB 4.34Å; I852-I867 HydrophobicContact CG2-CG1 4.4Å; I867-T871 HydrophobicContact CD1-CG2 4.26Å; I867-T871 HydrophobicContact CG1-CG2 3.99Å; I867-F872 HydrophobicContact CD1-CB 3.81Å; I867-F872 HydrophobicContact CD1-CD2 4.11Å; I867-F872 HydrophobicContact CD1-CG 4.48Å
868	D	86.8	Confident	78.8	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.251	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	166.4	171.2	64.8	7.6	0	0	0	111.7	F822 T823 D870 T871 F872	F822-D868 WeakPolarHBondContact O-CA 3.28Å; T823-D868 HydrophobicContact CG2-CB 4.09Å; D868-D870 VanDerWaalsContact C-N 3.3Å; D868-D870 PolarHBondContact O-N 2.93Å; D868-T871 PolarHBondContact O-N 2.82Å; D868-T871 WeakPolarHBondContact OD1-CA 3.46Å; D868-T871 WeakPolarHBondContact OD1-CB 3.23Å; D868-T871 PolarHBondContact OD1-N 2.81Å; D868-T871 PolarHBondContact OD1-OG1 2.91Å; D868-F872 WeakPolarHBondContact O-CB 3.48Å; D868-F872 PolarHBondContact O-N 2.86Å
869	L	83.6	Confident	77.6	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.141	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-37.6	179.9	-179	64.3	0	0	0	112.3	K799 F802 F872 I873	K799-L869 HydrophobicContact CG-CD2 3.67Å; F802-L869 HydrophobicContact CB-CD1 4.16Å; F802-L869 HydrophobicContact CD1-CB 4.46Å; F802-L869 HydrophobicContact CD2-CB 4.32Å; F802-L869 HydrophobicContact CD2-CD1 3.89Å; F802-L869 HydrophobicContact CE1-CB 4.44Å; F802-L869 HydrophobicContact CE2-CB 4.28Å; F802-L869 HydrophobicContact CG-CB 4.41Å; F802-L869 HydrophobicContact CG-CD1 4.09Å; F802-L869 HydrophobicContact CZ-CB 4.35Å; L869-F872 WeakPolarHBondContact O-CB 3.36Å; L869-F872 PolarHBondContact O-N 2.8Å; L869-I873 HydrophobicContact CD1-CD1 4.12Å; L869-I873 HydrophobicContact CD1-CG1 4.25Å; L869-I873 HydrophobicContact CG-CD1 3.9Å; L869-I873 HydrophobicContact CG-CG1 4.44Å; L869-I873 WeakPolarHBondContact O-CG1 3.35Å; L869-I873 PolarHBondContact O-N 3.41Å
870	D	80	Confident	76.6	Confident	50 Å²	50	53 Å²	53	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-50.1	177.9	-76.8	-17.6	0	0	0	111.5	K783 Y787 D868 F872 I873 Q874	K783-D870 WeakPolarHBondContact CD-OD2 3.27Å; K783-D870 IonicContact NZ-OD2 2.81Å; K783-D870 PolarHBondContact NZ-OD2 3.17Å; Y787-D870 PolarHBondContact OH-OD1 2.81Å; D868-D870 VanDerWaalsContact C-N 3.3Å; D868-D870 PolarHBondContact O-N 2.93Å; D870-F872 VanDerWaalsContact C-N 3.32Å; D870-I873 PolarHBondContact O-N 2.89Å; D870-Q874 PolarHBondContact O-N 3.49Å; D870-Q874 VanDerWaalsContact O-N 3.1Å
871	T	79.7	Confident	75.2	Confident	49 Å²	49	49.5 Å²	49.5	30%	0.301	26%	0.257	S	S	.	.	H	α-helix	trans	-68.5	-35.7	179.1	-52.5	0	0	0	0	110.3	I867 D868 Q874 C875	I867-T871 HydrophobicContact CD1-CG2 4.26Å; I867-T871 HydrophobicContact CG1-CG2 3.99Å; D868-T871 PolarHBondContact O-N 2.82Å; D868-T871 WeakPolarHBondContact OD1-CA 3.46Å; D868-T871 WeakPolarHBondContact OD1-CB 3.23Å; D868-T871 PolarHBondContact OD1-N 2.81Å; D868-T871 PolarHBondContact OD1-OG1 2.91Å; T871-Q874 PolarHBondContact O-N 2.96Å; T871-C875 WeakPolarHBondContact O-CB 3.4Å; T871-C875 PolarHBondContact O-N 2.81Å; T871-C875 PolarHBondContact O-SG 2.8Å
872	F	81.9	Confident	73.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-49.6	173.8	-174.3	-100.9	0	0	0	111.5	M798 F802 I829 V832 M833 I836 I867 D868 L869 D870 Q874 C875 V876	M798-F872 HydrophobicContact CE-CD1 3.63Å; M798-F872 HydrophobicContact CE-CE1 3.56Å; F802-F872 HydrophobicContact CE2-CB 4.42Å; I829-F872 HydrophobicContact CG2-CE2 4.22Å; V832-F872 HydrophobicContact CB-CE2 4.2Å; V832-F872 HydrophobicContact CB-CZ 3.81Å; V832-F872 HydrophobicContact CG1-CE1 3.66Å; V832-F872 HydrophobicContact CG1-CE2 4.14Å; V832-F872 HydrophobicContact CG1-CZ 3.37Å; M833-F872 HydrophobicContact CG-CE2 4.12Å; M833-F872 HydrophobicContact CG-CZ 3.84Å; I836-F872 HydrophobicContact CD1-CE1 3.96Å; I836-F872 HydrophobicContact CD1-CZ 4.31Å; I867-F872 HydrophobicContact CD1-CB 3.81Å; I867-F872 HydrophobicContact CD1-CD2 4.11Å; I867-F872 HydrophobicContact CD1-CG 4.48Å; D868-F872 WeakPolarHBondContact O-CB 3.48Å; D868-F872 PolarHBondContact O-N 2.86Å; L869-F872 WeakPolarHBondContact O-CB 3.36Å; L869-F872 PolarHBondContact O-N 2.8Å; D870-F872 VanDerWaalsContact C-N 3.32Å; F872-Q874 VanDerWaalsContact C-N 3.27Å; F872-Q874 PolarHBondContact O-N 3.49Å; F872-C875 PolarHBondContact O-N 2.87Å; F872-V876 HydrophobicContact CD1-CG2 4.17Å; F872-V876 HydrophobicContact CD2-CG2 3.89Å; F872-V876 HydrophobicContact CE1-CG2 3.88Å; F872-V876 HydrophobicContact CE2-CG2 3.59Å; F872-V876 HydrophobicContact CG-CG2 4.18Å; F872-V876 HydrophobicContact CZ-CG2 3.58Å; F872-V876 WeakPolarHBondContact O-CB 3.35Å; F872-V876 VanDerWaalsContact O-CG2 3.31Å; F872-V876 WeakPolarHBondContact O-CG2 3.47Å; F872-V876 PolarHBondContact O-N 2.83Å
873	I	77.3	Confident	72.2	Confident	15 Å²	15	46.7 Å²	46.7	8%	0.077	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-37.1	178	-70.2	167.6	0	0	0	111.3	F786 Y787 L790 L795 M798 L869 D870	F786-I873 HydrophobicContact CB-CG2 4.12Å; Y787-I873 HydrophobicContact CD1-CD1 4.18Å; Y787-I873 HydrophobicContact CE1-CD1 3.42Å; Y787-I873 VanDerWaalsContact CE1-CD1 3.42Å; L790-I873 HydrophobicContact CD1-CD1 4.08Å; L790-I873 HydrophobicContact CD1-CG1 4.37Å; L790-I873 HydrophobicContact CD1-CG2 3.89Å; L795-I873 HydrophobicContact CD1-CD1 4.11Å; M798-I873 HydrophobicContact CE-CG1 3.71Å; M798-I873 HydrophobicContact SD-CG1 4.21Å; L869-I873 HydrophobicContact CD1-CD1 4.12Å; L869-I873 HydrophobicContact CD1-CG1 4.25Å; L869-I873 HydrophobicContact CG-CD1 3.9Å; L869-I873 HydrophobicContact CG-CG1 4.44Å; L869-I873 WeakPolarHBondContact O-CG1 3.35Å; L869-I873 PolarHBondContact O-N 3.41Å; D870-I873 PolarHBondContact O-N 2.89Å
874	Q	73.1	Confident	70.5	Confident	71 Å²	71	41.8 Å²	41.8	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-70.3	-41.2	177.7	-173.5	175.8	14	0	0	112.9	D718 F786 D870 T871 F872	D718-Q874 PolarHBondContact O-NE2 3.36Å; F786-Q874 HydrophobicContact CE2-CG 4.23Å; F786-Q874 HydrophobicContact CZ-CG 4.15Å; D870-Q874 PolarHBondContact O-N 3.49Å; D870-Q874 VanDerWaalsContact O-N 3.1Å; T871-Q874 PolarHBondContact O-N 2.96Å; F872-Q874 VanDerWaalsContact C-N 3.27Å; F872-Q874 PolarHBondContact O-N 3.49Å
875	C	69.6	Low	68.6	Low	14 Å²	14	43.5 Å²	43.5	10%	0.095	22%	0.222	C	C	.	.	H	α-helix	trans	-76.4	-38.2	-178.5	-74.4	0	0	0	0	112.5	T871 F872 L877	T871-C875 WeakPolarHBondContact O-CB 3.4Å; T871-C875 PolarHBondContact O-N 2.81Å; T871-C875 PolarHBondContact O-SG 2.8Å; F872-C875 PolarHBondContact O-N 2.87Å; C875-L877 PolarHBondContact O-N 2.96Å; C875-L877 VanDerWaalsContact O-N 3.17Å
876	V	63.5	Low	66.8	Low	7 Å²	7	41.8 Å²	41.8	4%	0.042	21%	0.21	C	C	.	.	S	Bend	trans	-78.8	109.2	180	-168.1	0	0	0	0	108.6	M833 F872 Y878 I881	M833-V876 HydrophobicContact CE-CG1 3.74Å; M833-V876 HydrophobicContact CE-CG2 4.3Å; M833-V876 HydrophobicContact CG-CG1 4.45Å; M833-V876 HydrophobicContact CG-CG2 4.2Å; M833-V876 HydrophobicContact SD-CG1 4.49Å; M833-V876 HydrophobicContact SD-CG2 4.08Å; F872-V876 HydrophobicContact CD1-CG2 4.17Å; F872-V876 HydrophobicContact CD2-CG2 3.89Å; F872-V876 HydrophobicContact CE1-CG2 3.88Å; F872-V876 HydrophobicContact CE2-CG2 3.59Å; F872-V876 HydrophobicContact CG-CG2 4.18Å; F872-V876 HydrophobicContact CZ-CG2 3.58Å; F872-V876 WeakPolarHBondContact O-CB 3.35Å; F872-V876 VanDerWaalsContact O-CG2 3.31Å; F872-V876 WeakPolarHBondContact O-CG2 3.47Å; F872-V876 PolarHBondContact O-N 2.83Å; V876-Y878 PolarHBondContact O-N 3.38Å; V876-I881 HydrophobicContact CB-CD1 3.97Å; V876-I881 HydrophobicContact CG1-CD1 3.21Å; V876-I881 HydrophobicContact CG1-CG1 3.66Å
877	L	57.1	Low	65	Low	30 Å²	30	42.7 Å²	42.7	16%	0.157	22%	0.217	C	C	.	.			trans	-52.4	99.5	-179.3	-66.9	155.9	0	0	0	110.1	K661 T675 S677 C875 K879 D880	K661-L877 HydrophobicContact CD-CD1 3.8Å; T675-L877 HydrophobicContact CG2-CD1 4.12Å; S677-L877 VanDerWaalsContact N-CD2 3.28Å; C875-L877 PolarHBondContact O-N 2.96Å; C875-L877 VanDerWaalsContact O-N 3.17Å; L877-K879 PolarHBondContact O-N 2.94Å; L877-D880 HydrophobicContact CB-CB 4.41Å; L877-D880 PolarHBondContact O-N 2.79Å
878	Y	53.1	Low	63	Low	65 Å²	65	47.2 Å²	47.2	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-37.1	-41.1	-177.4	168.6	-91.7	0	0	0	114.6	F789 L790 V876 E882	F789-Y878 HydrophobicContact CB-CD1 4.31Å; F789-Y878 HydrophobicContact CB-CD2 3.71Å; F789-Y878 HydrophobicContact CB-CE1 4.04Å; F789-Y878 HydrophobicContact CB-CE2 3.38Å; F789-Y878 HydrophobicContact CB-CG 4.19Å; F789-Y878 WeakPolarHBondContact O-CE2 3.41Å; F789-Y878 PolarHBondContact O-OH 2.89Å; L790-Y878 HydrophobicContact CD2-CD2 3.54Å; L790-Y878 HydrophobicContact CD2-CE2 3.62Å; L790-Y878 HydrophobicContact CG-CD2 4.16Å; L790-Y878 HydrophobicContact CG-CE2 4.09Å; V876-Y878 PolarHBondContact O-N 3.38Å; Y878-E882 WeakPolarHBondContact CE1-OE2 3.03Å; Y878-E882 WeakPolarHBondContact O-CB 3.39Å; Y878-E882 PolarHBondContact O-N 2.83Å
879	K	49	Very low	61	Low	75 Å²	75	48.2 Å²	48.2	33%	0.326	25%	0.248	S	C	.	.	H	α-helix	trans	-85.9	-23.9	-176.2	-157.1	164.8	-166.2	163.4	0	115.2	Q681 L877 E882 N883	Q681-K879 HydrophobicContact CB-CD 4.48Å; L877-K879 PolarHBondContact O-N 2.94Å; K879-E882 PolarHBondContact O-N 2.88Å; K879-N883 WeakPolarHBondContact O-CB 3.21Å; K879-N883 PolarHBondContact O-N 2.93Å; K879-N883 PolarHBondContact O-ND2 3.21Å
880	D	58.8	Low	59.2	Low	43 Å²	43	51.9 Å²	51.9	23%	0.23	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-37.3	172.7	-73.7	-22.9	0	0	0	109.5	K661 F838 L877 A884	K661-D880 WeakPolarHBondContact CE-OD2 3.32Å; K661-D880 IonicContact NZ-OD2 3.94Å; K661-D880 PolarHBondContact NZ-OD2 2.67Å; F838-D880 HydrophobicContact CD2-CB 4.04Å; F838-D880 HydrophobicContact CE1-CB 4.45Å; F838-D880 HydrophobicContact CE2-CB 3.57Å; F838-D880 HydrophobicContact CZ-CB 3.8Å; L877-D880 HydrophobicContact CB-CB 4.41Å; L877-D880 PolarHBondContact O-N 2.79Å; D880-A884 WeakPolarHBondContact O-CB 3.14Å; D880-A884 PolarHBondContact O-N 2.85Å
881	I	53.9	Low	57.3	Low	5 Å²	5	54.9 Å²	54.9	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-53.3	169.7	-61.7	166.7	0	0	0	111.5	F794 I836 F838 V876 N883 A884 F885	F794-I881 HydrophobicContact CE1-CG2 4.06Å; F794-I881 HydrophobicContact CE2-CG2 3.9Å; F794-I881 HydrophobicContact CZ-CG2 3.34Å; I836-I881 HydrophobicContact CG2-CB 4.4Å; I836-I881 HydrophobicContact CG2-CD1 4.4Å; I836-I881 HydrophobicContact CG2-CG1 4.24Å; I836-I881 HydrophobicContact CG2-CG2 3.32Å; F838-I881 HydrophobicContact CB-CG1 4.3Å; V876-I881 HydrophobicContact CB-CD1 3.97Å; V876-I881 HydrophobicContact CG1-CD1 3.21Å; V876-I881 HydrophobicContact CG1-CG1 3.66Å; I881-N883 VanDerWaalsContact C-N 3.29Å; I881-N883 PolarHBondContact O-N 2.98Å; I881-A884 CarbonylContact O-C 3.58Å; I881-A884 WeakPolarHBondContact O-CB 3.47Å; I881-A884 PolarHBondContact O-N 2.75Å; I881-A884 VanDerWaalsContact O-N 3.1Å; I881-F885 VanDerWaalsContact O-CB 3.28Å; I881-F885 WeakPolarHBondContact O-CB 3.46Å; I881-F885 PolarHBondContact O-N 2.83Å
882	E	51.1	Low	55.2	Low	64 Å²	64	58.9 Å²	58.9	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-39.3	-176.7	-162.6	-153.4	156.7	0	0	111.3	Y878 K879 F885 N886	Y878-E882 WeakPolarHBondContact CE1-OE2 3.03Å; Y878-E882 WeakPolarHBondContact O-CB 3.39Å; Y878-E882 PolarHBondContact O-N 2.83Å; K879-E882 PolarHBondContact O-N 2.88Å; E882-F885 PolarHBondContact O-N 2.77Å; E882-N886 WeakPolarHBondContact O-CB 3.33Å; E882-N886 PolarHBondContact O-N 2.72Å; E882-N886 PolarHBondContact O-ND2 3.11Å; E882-N886 PolarHBondContact OE1-ND2 3.34Å
883	N	55.5	Low	53.3	Low	72 Å²	72	64 Å²	64	39%	0.385	34%	0.339	S	S	.	.	H	α-helix	trans	-65.5	-44.7	173.7	-74.2	-21.6	0	0	0	111.1	K879 I881 F885 N886 I887	K879-N883 WeakPolarHBondContact O-CB 3.21Å; K879-N883 PolarHBondContact O-N 2.93Å; K879-N883 PolarHBondContact O-ND2 3.21Å; I881-N883 VanDerWaalsContact C-N 3.29Å; I881-N883 PolarHBondContact O-N 2.98Å; N883-F885 VanDerWaalsContact C-N 3.31Å; N883-F885 PolarHBondContact O-N 2.71Å; N883-N886 PolarHBondContact O-N 2.86Å; N883-I887 VanDerWaalsContact O-CB 3.31Å; N883-I887 WeakPolarHBondContact O-CB 3.28Å; N883-I887 VanDerWaalsContact O-CD1 3.31Å; N883-I887 WeakPolarHBondContact O-CD1 3.41Å; N883-I887 WeakPolarHBondContact O-CG1 3.45Å; N883-I887 PolarHBondContact O-N 3.02Å
884	A	53.4	Low	51.4	Low	18 Å²	18	70.4 Å²	70.4	15%	0.149	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175.8	0	0	0	0	0	111.3	F838 D880 I881 I887 L888	F838-A884 HydrophobicContact CB-CB 4.43Å; F838-A884 HydrophobicContact CD2-CB 4.31Å; D880-A884 WeakPolarHBondContact O-CB 3.14Å; D880-A884 PolarHBondContact O-N 2.85Å; I881-A884 CarbonylContact O-C 3.58Å; I881-A884 WeakPolarHBondContact O-CB 3.47Å; I881-A884 PolarHBondContact O-N 2.75Å; I881-A884 VanDerWaalsContact O-N 3.1Å; A884-I887 PolarHBondContact O-N 2.93Å; A884-L888 WeakPolarHBondContact O-CG 3.4Å; A884-L888 PolarHBondContact O-N 2.78Å
885	F	48.5	Very low	49.5	Very low	58 Å²	58	75.2 Å²	75.2	25%	0.254	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-44.4	177.6	-168.5	-92.7	0	0	0	111.9	F794 I881 E882 N883 I887 L888 T889	F794-F885 HydrophobicContact CD2-CD2 4.31Å; F794-F885 HydrophobicContact CD2-CE2 4.32Å; F794-F885 HydrophobicContact CE2-CD2 4.31Å; I881-F885 VanDerWaalsContact O-CB 3.28Å; I881-F885 WeakPolarHBondContact O-CB 3.46Å; I881-F885 PolarHBondContact O-N 2.83Å; E882-F885 PolarHBondContact O-N 2.77Å; N883-F885 VanDerWaalsContact C-N 3.31Å; N883-F885 PolarHBondContact O-N 2.71Å; F885-I887 VanDerWaalsContact C-N 3.31Å; F885-I887 PolarHBondContact O-N 3.17Å; F885-L888 PolarHBondContact O-N 3.09Å; F885-T889 HydrophobicContact CD1-CG2 3.81Å; F885-T889 HydrophobicContact CE1-CG2 3.4Å; F885-T889 VanDerWaalsContact CE1-CG2 3.4Å; F885-T889 HydrophobicContact CE2-CG2 4.31Å; F885-T889 HydrophobicContact CG-CG2 4.42Å; F885-T889 HydrophobicContact CZ-CG2 3.68Å; F885-T889 WeakPolarHBondContact O-CB 3.43Å; F885-T889 WeakPolarHBondContact O-CG2 3.36Å; F885-T889 PolarHBondContact O-N 2.87Å; F885-T889 PolarHBondContact O-OG1 2.76Å
886	N	49.7	Very low	47.9	Very low	56 Å²	56	82.8 Å²	82.8	30%	0.299	43%	0.425	S	S	.	.	H	α-helix	trans	-65.1	-34.7	175	-79.9	-33	0	0	0	111.5	E882 N883 L888 T889 N890	E882-N886 WeakPolarHBondContact O-CB 3.33Å; E882-N886 PolarHBondContact O-N 2.72Å; E882-N886 PolarHBondContact O-ND2 3.11Å; E882-N886 PolarHBondContact OE1-ND2 3.34Å; N883-N886 PolarHBondContact O-N 2.86Å; N886-L888 VanDerWaalsContact C-N 3.35Å; N886-T889 WeakPolarHBondContact CA-OG1 3.13Å; N886-N890 WeakPolarHBondContact O-CA 3.17Å; N886-N890 WeakPolarHBondContact O-CB 3.31Å; N886-N890 PolarHBondContact O-N 3.22Å; N886-N890 PolarHBondContact O-ND2 3.42Å
887	I	51.4	Low	46.5	Very low	123 Å²	123	90.3 Å²	90.3	63%	0.631	46%	0.459	S	S	*	.	H	α-helix	trans	-65.8	-40.5	173.2	-72.1	162.4	0	0	0	110.2	N883 A884 F885 T891	N883-I887 VanDerWaalsContact O-CB 3.31Å; N883-I887 WeakPolarHBondContact O-CB 3.28Å; N883-I887 VanDerWaalsContact O-CD1 3.31Å; N883-I887 WeakPolarHBondContact O-CD1 3.41Å; N883-I887 WeakPolarHBondContact O-CG1 3.45Å; N883-I887 PolarHBondContact O-N 3.02Å; A884-I887 PolarHBondContact O-N 2.93Å; F885-I887 VanDerWaalsContact C-N 3.31Å; F885-I887 PolarHBondContact O-N 3.17Å; I887-T891 WeakPolarHBondContact O-CG2 3.32Å
888	L	45.4	Very low	45.4	Very low	100 Å²	100	95.6 Å²	95.6	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-69.4	-48.4	177.4	-75.5	161.4	0	0	0	112.4	A884 F885 N886 T891	A884-L888 WeakPolarHBondContact O-CG 3.4Å; A884-L888 PolarHBondContact O-N 2.78Å; F885-L888 PolarHBondContact O-N 3.09Å; N886-L888 VanDerWaalsContact C-N 3.35Å; L888-T891 WeakPolarHBondContact O-CG2 3.35Å; L888-T891 PolarHBondContact O-OG1 3.08Å
889	T	45.7	Very low	44.6	Very low	68 Å²	68	96.5 Å²	96.5	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-79.9	-37.8	-174.7	51.8	0	0	0	0	113.8	F885 N886 T891	F885-T889 HydrophobicContact CD1-CG2 3.81Å; F885-T889 HydrophobicContact CE1-CG2 3.4Å; F885-T889 VanDerWaalsContact CE1-CG2 3.4Å; F885-T889 HydrophobicContact CE2-CG2 4.31Å; F885-T889 HydrophobicContact CG-CG2 4.42Å; F885-T889 HydrophobicContact CZ-CG2 3.68Å; F885-T889 WeakPolarHBondContact O-CB 3.43Å; F885-T889 WeakPolarHBondContact O-CG2 3.36Å; F885-T889 PolarHBondContact O-N 2.87Å; F885-T889 PolarHBondContact O-OG1 2.76Å; N886-T889 WeakPolarHBondContact CA-OG1 3.13Å; T889-T891 PolarHBondContact O-N 3.17Å
890	N	45.8	Very low	44	Very low	105 Å²	105	94.4 Å²	94.4	56%	0.561	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	31.9	177	-60.9	-55.9	0	0	0	112.7	N886 N892	N886-N890 WeakPolarHBondContact O-CA 3.17Å; N886-N890 WeakPolarHBondContact O-CB 3.31Å; N886-N890 PolarHBondContact O-N 3.22Å; N886-N890 PolarHBondContact O-ND2 3.42Å; N890-N892 PolarHBondContact O-N 3.32Å
891	T	40.5	Very low	43	Very low	112 Å²	112	100.6 Å²	100.6	69%	0.687	53%	0.527	S	S	*	.			trans	-63.9	18.4	164.9	41.7	0	0	0	0	113.3	I887 L888 T889 V893	I887-T891 WeakPolarHBondContact O-CG2 3.32Å; L888-T891 WeakPolarHBondContact O-CG2 3.35Å; L888-T891 PolarHBondContact O-OG1 3.08Å; T889-T891 PolarHBondContact O-N 3.17Å; T891-V893 PolarHBondContact O-N 2.74Å; T891-V893 VanDerWaalsContact O-N 3.09Å
892	N	34.1	Very low	42.2	Very low	134 Å²	134	103.9 Å²	103.9	72%	0.717	54%	0.544	S	S	*	.	S	Bend	trans	-75.8	93.5	166.1	-83.2	-31.4	0	0	0	111.1	N890 D894	N890-N892 PolarHBondContact O-N 3.32Å; N892-D894 PolarHBondContact O-N 3.4Å
893	V	43	Very low	41.3	Very low	110 Å²	110	104.1 Å²	104.1	67%	0.667	55%	0.553	S	S	*	*	S	Bend	trans	64.3	-37.6	143	-170.1	0	0	0	0	120.5	T891	T891-V893 PolarHBondContact O-N 2.74Å; T891-V893 VanDerWaalsContact O-N 3.09Å
894	D	36.4	Very low	40	Very low	148 Å²	148	107.8 Å²	107.8	79%	0.791	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-14.2	-166.3	-74.2	-20.8	0	0	0	115.7	N892 K896	N892-D894 PolarHBondContact O-N 3.4Å; D894-K896 VanDerWaalsContact C-N 3.34Å; D894-K896 PolarHBondContact O-N 2.96Å
895	K	34.4	Very low	38.9	Very low	172 Å²	172	111.6 Å²	111.6	75%	0.748	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	34.9	178.7	-73.4	-172.4	178.4	175	0	114.8	E897 N898	K895-E897 PolarHBondContact O-N 3.13Å; K895-E897 VanDerWaalsContact O-N 3.09Å; K895-N898 PolarHBondContact O-N 2.97Å
896	K	36.1	Very low	38	Very low	173 Å²	173	118.1 Å²	118.1	75%	0.752	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-19.7	168.5	-87.6	-177.7	176.5	174.4	0	113.2	D894 N898 C899 A900	D894-K896 VanDerWaalsContact C-N 3.34Å; D894-K896 PolarHBondContact O-N 2.96Å; K896-N898 PolarHBondContact O-N 3Å; K896-C899 PolarHBondContact O-N 3.31Å; K896-A900 PolarHBondContact O-N 2.92Å
897	E	34.3	Very low	37.1	Very low	165 Å²	165	123.8 Å²	123.8	77%	0.771	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	179.8	-70	-173	161.8	0	0	114.7	K895 A900	K895-E897 PolarHBondContact O-N 3.13Å; K895-E897 VanDerWaalsContact O-N 3.09Å; E897-A900 WeakPolarHBondContact O-CA 3.18Å; E897-A900 WeakPolarHBondContact O-CB 3.46Å; E897-A900 PolarHBondContact O-N 2.99Å
898	N	34	Very low	36.2	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-82.6	-21.8	174.5	-80.6	-8.6	0	0	0	112.8	K895 K896 A900	K895-N898 PolarHBondContact O-N 2.97Å; K896-N898 PolarHBondContact O-N 3Å; N898-A900 PolarHBondContact O-N 3.01Å
899	C	35.9	Very low	35.8	Very low	85 Å²	85	127.3 Å²	127.3	57%	0.574	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-73.1	-1.8	160.6	-71.6	0	0	0	0	112	K896 Q901 L902	K896-C899 PolarHBondContact O-N 3.31Å; C899-Q901 PolarHBondContact O-N 2.77Å; C899-L902 WeakPolarHBondContact O-CA 3.33Å; C899-L902 VanDerWaalsContact O-CB 3.24Å; C899-L902 WeakPolarHBondContact O-CB 3.49Å; C899-L902 PolarHBondContact O-N 2.86Å
900	A	35.5	Very low	35.4	Very low	31 Å²	31	129.3 Å²	129.3	26%	0.256	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-69.9	-7.4	-179.4	0	0	0	0	0	114.4	K896 E897 N898 L902 S903 N904	K896-A900 PolarHBondContact O-N 2.92Å; E897-A900 WeakPolarHBondContact O-CA 3.18Å; E897-A900 WeakPolarHBondContact O-CB 3.46Å; E897-A900 PolarHBondContact O-N 2.99Å; N898-A900 PolarHBondContact O-N 3.01Å; A900-L902 PolarHBondContact O-N 2.98Å; A900-S903 WeakPolarHBondContact CA-OG 3.41Å; A900-S903 WeakPolarHBondContact CB-OG 3.47Å; A900-S903 CarbonylContact O-C 3.56Å; A900-S903 WeakPolarHBondContact O-CA 3.5Å; A900-S903 PolarHBondContact O-N 3.37Å; A900-S903 PolarHBondContact O-OG 2.98Å; A900-N904 PolarHBondContact O-N 2.9Å
901	Q	39.2	Very low	35.3	Very low	172 Å²	172	133.8 Å²	133.8	80%	0.804	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-62.6	-22	162.3	-74.6	-167.8	-12.1	0	0	112	C899 S903	C899-Q901 PolarHBondContact O-N 2.77Å; Q901-S903 VanDerWaalsContact C-N 3.35Å
902	L	36.7	Very low	35.5	Very low	75 Å²	75	136.5 Å²	136.5	39%	0.393	71%	0.712	S	S	.	*	G	3₁₀ helix	trans	-81.5	-9.2	166	-66.7	156.4	0	0	0	113.1	C899 A900 P914 M916	C899-L902 WeakPolarHBondContact O-CA 3.33Å; C899-L902 VanDerWaalsContact O-CB 3.24Å; C899-L902 WeakPolarHBondContact O-CB 3.49Å; C899-L902 PolarHBondContact O-N 2.86Å; A900-L902 PolarHBondContact O-N 2.98Å; L902-P914 HydrophobicContact CB-CB 4.11Å; L902-P914 HydrophobicContact CB-CG 4.39Å; L902-P914 WeakPolarHBondContact O-CB 3.49Å; L902-M916 HydrophobicContact CD2-CB 3.87Å; L902-M916 HydrophobicContact CD2-CG 4.09Å; L902-M916 HydrophobicContact CD2-SD 3.77Å
903	S	30.9	Very low	36.4	Very low	68 Å²	68	136.1 Å²	136.1	48%	0.476	70%	0.704	S	S	.	*	G	3₁₀ helix	trans	-115.7	33.7	-178.4	78.5	0	0	0	0	113.9	A900 Q901 S905	A900-S903 WeakPolarHBondContact CA-OG 3.41Å; A900-S903 WeakPolarHBondContact CB-OG 3.47Å; A900-S903 CarbonylContact O-C 3.56Å; A900-S903 WeakPolarHBondContact O-CA 3.5Å; A900-S903 PolarHBondContact O-N 3.37Å; A900-S903 PolarHBondContact O-OG 2.98Å; Q901-S903 VanDerWaalsContact C-N 3.35Å; S903-S905 PolarHBondContact O-N 2.7Å
904	N	28.2	Very low	37.1	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	69%	0.693	S	S	*	*			trans	-71.6	76.4	167.7	-91.3	-18.7	0	0	0	111.1	A900	A900-N904 PolarHBondContact O-N 2.9Å
905	S	31.9	Very low	38.6	Very low	98 Å²	98	131.1 Å²	131.1	69%	0.685	68%	0.68	S	S	*	*			trans	-161.6	92.7	150.6	58.8	0	0	0	0	108.8	S903 E907	S903-S905 PolarHBondContact O-N 2.7Å; S905-E907 VanDerWaalsContact C-N 3.27Å; S905-E907 PolarHBondContact O-N 2.79Å
906	H	29.8	Very low	40.5	Very low	195 Å²	195	124.4 Å²	124.4	90%	0.903	65%	0.652	S	S	*	*			trans	-58.1	97.7	153.8	-82.8	-76.1	0	0	0	107.5
907	E	30.4	Very low	42.4	Very low	174 Å²	174	118.8 Å²	118.8	81%	0.813	63%	0.632	S	S	*	*	S	Bend	trans	171.8	131.3	143	-95.5	169.5	-169.7	0	0	110.6	S905	S905-E907 VanDerWaalsContact C-N 3.27Å; S905-E907 PolarHBondContact O-N 2.79Å
908	T	32.3	Very low	44.2	Very low	124 Å²	124	111.1 Å²	111.1	76%	0.761	60%	0.596	S	S	*	*			trans	66.1	113.4	166.8	37.6	0	0	0	0	119.3	T910	T908-T910 PolarHBondContact O-N 3.47Å
909	I	36.7	Very low	46.1	Very low	174 Å²	174	109.9 Å²	109.9	89%	0.892	59%	0.586	S	S	*	*			trans	-48.1	96.1	165.8	-58.5	162.9	0	0	0	109.8
910	T	36.3	Very low	47.9	Very low	109 Å²	109	110.6 Å²	110.6	67%	0.669	58%	0.581	S	S	*	*			trans	-129.9	131.3	157.5	44.7	0	0	0	0	106.9	T908 E912	T908-T910 PolarHBondContact O-N 3.47Å; T910-E912 PolarHBondContact O-N 2.87Å
911	Q	44.4	Very low	49.7	Very low	199 Å²	199	109.9 Å²	109.9	93%	0.93	57%	0.573	S	S	*	*			trans	-73.3	41	-170.9	-69.9	179.6	-33.3	0	0	113.3
912	E	45.9	Very low	51.4	Low	169 Å²	169	102.7 Å²	102.7	79%	0.79	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-95.9	116.7	174.5	-69.6	-170.4	169.1	0	0	109.2	T910	T910-E912 PolarHBondContact O-N 2.87Å
913	K	51.5	Low	53.1	Low	127 Å²	127	103.8 Å²	103.8	55%	0.552	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-56.7	135.9	174	-69.2	178.6	178.8	177.4	0	107.9	T915 E980	K913-T915 PolarHBondContact O-N 2.84Å; K913-E980 IonicContact NZ-OE1 3.75Å; K913-E980 PolarHBondContact NZ-OE1 2.99Å; K913-E980 IonicContact NZ-OE2 3.7Å
914	P	58.3	Low	54.9	Low	68 Å²	68	103.5 Å²	103.5	44%	0.442	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-58	134.3	179.4	23	-32.2	0	0	0	110.6	L902	L902-P914 HydrophobicContact CB-CB 4.11Å; L902-P914 HydrophobicContact CB-CG 4.39Å; L902-P914 WeakPolarHBondContact O-CB 3.49Å
915	T	67.9	Low	56.8	Low	84 Å²	84	99.2 Å²	99.2	52%	0.515	52%	0.517	S	S	.	.			trans	-124.7	146.7	178.3	49.6	0	0	0	0	108.9	K913 P976 I977 N978	K913-T915 PolarHBondContact O-N 2.84Å; T915-P976 HydrophobicContact CG2-CB 4.33Å; T915-I977 WeakPolarHBondContact CA-O 3.39Å; T915-N978 HydrophobicContact CG2-CB 4.09Å
916	M	73.5	Confident	58.5	Low	31 Å²	31	97.6 Å²	97.6	15%	0.153	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-122.1	151.8	172.5	69.8	-175.8	-50.8	0	0	109.6	L902 E920 L921 I977	L902-M916 HydrophobicContact CD2-CB 3.87Å; L902-M916 HydrophobicContact CD2-CG 4.09Å; L902-M916 HydrophobicContact CD2-SD 3.77Å; M916-E920 HydrophobicContact CE-CB 4.42Å; M916-L921 HydrophobicContact CE-CB 3.48Å; M916-L921 VanDerWaalsContact CE-CB 3.48Å; M916-L921 HydrophobicContact CE-CD1 3.72Å; M916-L921 HydrophobicContact CE-CG 4.19Å; M916-L921 HydrophobicContact SD-CB 4.14Å; M916-L921 HydrophobicContact SD-CD1 3.92Å; M916-I977 HydrophobicContact CG-CB 4.23Å; M916-I977 PolarHBondContact N-O 3.03Å; M916-I977 PolarHBondContact O-N 2.72Å
917	T	76.8	Confident	60.1	Low	56 Å²	56	95.1 Å²	95.1	34%	0.344	49%	0.492	S	S	.	.			trans	-80.3	156.9	170.8	61.9	0	0	0	0	110.7	E919 E920 L921	T917-E919 PolarHBondContact O-N 2.8Å; T917-E920 PolarHBondContact N-OE2 2.75Å; T917-E920 PolarHBondContact O-N 3.29Å; T917-E920 WeakPolarHBondContact OG1-CB 3.34Å; T917-E920 WeakPolarHBondContact OG1-CG 3.44Å; T917-E920 PolarHBondContact OG1-N 3.35Å; T917-E920 PolarHBondContact OG1-OE2 2.8Å; T917-L921 PolarHBondContact O-N 2.95Å
918	M	72.8	Confident	61.3	Low	4 Å²	4	90 Å²	90	2%	0.02	48%	0.475	C	S	.	.	H	α-helix	trans	-64	-32.2	175.1	-168.4	58.8	133.5	0	0	112	L921 F922 M941 W945 I977 I986	M918-L921 PolarHBondContact O-N 3.01Å; M918-L921 HydrophobicContact SD-CB 4.4Å; M918-L921 HydrophobicContact SD-CD2 3.75Å; M918-F922 HydrophobicContact CE-CE1 3.73Å; M918-F922 HydrophobicContact CE-CZ 3.81Å; M918-F922 HydrophobicContact CG-CD1 4.26Å; M918-F922 HydrophobicContact CG-CE1 3.8Å; M918-F922 HydrophobicContact CG-CE2 4.08Å; M918-F922 HydrophobicContact CG-CZ 3.71Å; M918-F922 WeakPolarHBondContact O-CB 3.31Å; M918-F922 WeakPolarHBondContact O-CD1 3.38Å; M918-F922 WeakPolarHBondContact O-CG 3.47Å; M918-F922 PolarHBondContact O-N 3Å; M918-F922 HydrophobicContact SD-CD1 4.05Å; M918-F922 HydrophobicContact SD-CE1 3.47Å; M918-F922 WeakPolarHBondContact SD-CE1 3.35Å; M918-F922 HydrophobicContact SD-CZ 3.89Å; M918-M941 HydrophobicContact CE-SD 4.17Å; M918-W945 HydrophobicContact CE-CH2 3.88Å; M918-W945 HydrophobicContact CE-CZ2 3.38Å; M918-I977 HydrophobicContact CB-CD1 3.91Å; M918-I977 HydrophobicContact CE-CD1 4.37Å; M918-I977 HydrophobicContact CG-CD1 4.28Å; M918-I977 HydrophobicContact SD-CD1 3.42Å; M918-I977 WeakPolarHBondContact SD-CD1 3.19Å; M918-I986 HydrophobicContact CE-CD1 3.67Å; M918-I986 HydrophobicContact CE-CG1 4.09Å; M918-I986 HydrophobicContact SD-CD1 4.02Å
919	E	73.7	Confident	62.7	Low	115 Å²	115	86.6 Å²	86.6	54%	0.537	47%	0.465	S	S	.	.	H	α-helix	trans	-62.1	-46.3	173.7	-70.8	175.8	-174.3	0	0	111.4	T917 L921 F922 L923 M973	T917-E919 PolarHBondContact O-N 2.8Å; E919-L921 VanDerWaalsContact C-N 3.31Å; E919-L921 PolarHBondContact O-N 2.95Å; E919-F922 PolarHBondContact O-N 2.92Å; E919-L923 WeakPolarHBondContact O-CB 3.18Å; E919-L923 WeakPolarHBondContact O-CG 3.1Å; E919-L923 PolarHBondContact O-N 3.4Å; E919-M973 HydrophobicContact CG-CE 3.62Å
920	E	73.6	Confident	64	Low	99 Å²	99	81.2 Å²	81.2	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-62.2	-39.2	174.5	-73.8	162.5	160.2	0	0	111.5	M916 T917 T924	M916-E920 HydrophobicContact CE-CB 4.42Å; T917-E920 PolarHBondContact N-OE2 2.75Å; T917-E920 PolarHBondContact O-N 3.29Å; T917-E920 WeakPolarHBondContact OG1-CB 3.34Å; T917-E920 WeakPolarHBondContact OG1-CG 3.44Å; T917-E920 PolarHBondContact OG1-N 3.35Å; T917-E920 PolarHBondContact OG1-OE2 2.8Å; E920-T924 VanDerWaalsContact O-CB 3.28Å; E920-T924 WeakPolarHBondContact O-CB 3.23Å; E920-T924 PolarHBondContact O-N 3.35Å; E920-T924 PolarHBondContact O-OG1 3.01Å
921	L	73.1	Confident	65.4	Low	17 Å²	17	80.2 Å²	80.2	9%	0.089	44%	0.439	C	S	.	.	H	α-helix	trans	-62.2	-46.3	175.7	-178.6	65.8	0	0	0	111.1	M916 T917 M918 E919 T924 L925 I977 F982 I986	M916-L921 HydrophobicContact CE-CB 3.48Å; M916-L921 VanDerWaalsContact CE-CB 3.48Å; M916-L921 HydrophobicContact CE-CD1 3.72Å; M916-L921 HydrophobicContact CE-CG 4.19Å; M916-L921 HydrophobicContact SD-CB 4.14Å; M916-L921 HydrophobicContact SD-CD1 3.92Å; T917-L921 PolarHBondContact O-N 2.95Å; M918-L921 PolarHBondContact O-N 3.01Å; M918-L921 HydrophobicContact SD-CB 4.4Å; M918-L921 HydrophobicContact SD-CD2 3.75Å; E919-L921 VanDerWaalsContact C-N 3.31Å; E919-L921 PolarHBondContact O-N 2.95Å; L921-T924 PolarHBondContact O-N 2.9Å; L921-L925 HydrophobicContact CD1-CD1 4.21Å; L921-L925 HydrophobicContact CD1-CG 4.32Å; L921-L925 HydrophobicContact CG-CD1 3.97Å; L921-L925 HydrophobicContact CG-CG 4.46Å; L921-L925 WeakPolarHBondContact O-CB 3.43Å; L921-L925 WeakPolarHBondContact O-CG 3.4Å; L921-L925 PolarHBondContact O-N 3.07Å; L921-I977 HydrophobicContact CD2-CD1 4.41Å; L921-F982 HydrophobicContact CD2-CD2 4.24Å; L921-F982 HydrophobicContact CD2-CE2 3.87Å; L921-I986 HydrophobicContact CD2-CD1 4.15Å
922	F	75.5	Confident	66.6	Low	21 Å²	21	73.2 Å²	73.2	9%	0.092	41%	0.407	C	S	.	.	H	α-helix	trans	-66.1	-44.9	-179.7	-73.4	1.2	0	0	0	111.8	M918 E919 T924 L925 Q926 M937 M941 L969 M973	M918-F922 HydrophobicContact CE-CE1 3.73Å; M918-F922 HydrophobicContact CE-CZ 3.81Å; M918-F922 HydrophobicContact CG-CD1 4.26Å; M918-F922 HydrophobicContact CG-CE1 3.8Å; M918-F922 HydrophobicContact CG-CE2 4.08Å; M918-F922 HydrophobicContact CG-CZ 3.71Å; M918-F922 WeakPolarHBondContact O-CB 3.31Å; M918-F922 WeakPolarHBondContact O-CD1 3.38Å; M918-F922 WeakPolarHBondContact O-CG 3.47Å; M918-F922 PolarHBondContact O-N 3Å; M918-F922 HydrophobicContact SD-CD1 4.05Å; M918-F922 HydrophobicContact SD-CE1 3.47Å; M918-F922 WeakPolarHBondContact SD-CE1 3.35Å; M918-F922 HydrophobicContact SD-CZ 3.89Å; E919-F922 PolarHBondContact O-N 2.92Å; F922-T924 VanDerWaalsContact C-N 3.28Å; F922-T924 PolarHBondContact O-N 2.75Å; F922-L925 PolarHBondContact O-N 3.06Å; F922-Q926 WeakPolarHBondContact O-CB 3.29Å; F922-Q926 VanDerWaalsContact O-CG 3.29Å; F922-Q926 WeakPolarHBondContact O-CG 3.26Å; F922-Q926 PolarHBondContact O-N 3.29Å; F922-M937 HydrophobicContact CB-CE 4.17Å; F922-M937 HydrophobicContact CB-SD 3.68Å; F922-M937 HydrophobicContact CD1-CE 4.13Å; F922-M937 HydrophobicContact CD1-SD 3.74Å; F922-M937 HydrophobicContact CD2-SD 3.94Å; F922-M937 HydrophobicContact CE1-SD 4.34Å; F922-M937 HydrophobicContact CG-CE 4.28Å; F922-M937 HydrophobicContact CG-SD 3.52Å; F922-M937 VanDerWaalsContact CG-SD 3.52Å; F922-M941 HydrophobicContact CD1-CE 4.49Å; F922-M941 HydrophobicContact CE1-CE 3.74Å; F922-M941 HydrophobicContact CE1-CG 3.91Å; F922-M941 HydrophobicContact CE1-SD 3.85Å; F922-M941 HydrophobicContact CZ-CG 3.79Å; F922-M941 HydrophobicContact CZ-SD 4.15Å; F922-L969 HydrophobicContact CE2-CD2 3.91Å; F922-L969 HydrophobicContact CZ-CD2 3.93Å; F922-M973 HydrophobicContact CD2-CE 3.59Å; F922-M973 HydrophobicContact CE2-CE 3.81Å
923	L	71.1	Confident	67.7	Low	97 Å²	97	66.9 Å²	66.9	51%	0.508	39%	0.388	S	S	.	.	H	α-helix	trans	-58.4	-43.4	173.1	-74	166.6	0	0	0	111	E919 L925 Q926 D927	E919-L923 WeakPolarHBondContact O-CB 3.18Å; E919-L923 WeakPolarHBondContact O-CG 3.1Å; E919-L923 PolarHBondContact O-N 3.4Å; L923-L925 PolarHBondContact O-N 2.75Å; L923-Q926 PolarHBondContact O-N 2.88Å; L923-D927 WeakPolarHBondContact O-CB 3.41Å; L923-D927 PolarHBondContact O-N 2.77Å
924	T	68.6	Low	68.6	Low	63 Å²	63	68.4 Å²	68.4	39%	0.387	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-44.9	177.9	-54.3	0	0	0	0	111.3	E920 L921 F922 Q926 D927 S928	E920-T924 VanDerWaalsContact O-CB 3.28Å; E920-T924 WeakPolarHBondContact O-CB 3.23Å; E920-T924 PolarHBondContact O-N 3.35Å; E920-T924 PolarHBondContact O-OG1 3.01Å; L921-T924 PolarHBondContact O-N 2.9Å; F922-T924 VanDerWaalsContact C-N 3.28Å; F922-T924 PolarHBondContact O-N 2.75Å; T924-Q926 VanDerWaalsContact C-N 3.31Å; T924-Q926 PolarHBondContact O-N 3.2Å; T924-D927 PolarHBondContact O-N 2.82Å; T924-S928 VanDerWaalsContact O-CB 3.25Å; T924-S928 WeakPolarHBondContact O-CB 3.37Å; T924-S928 PolarHBondContact O-N 2.99Å; T924-S928 PolarHBondContact O-OG 3.06Å
925	L	68.7	Low	69.2	Low	59 Å²	59	68.8 Å²	68.8	31%	0.309	41%	0.405	S	S	.	.	H	α-helix	trans	-68.8	-27	178.3	-73.5	172.6	0	0	0	113.1	L921 F922 L923 M937 M941	L921-L925 HydrophobicContact CD1-CD1 4.21Å; L921-L925 HydrophobicContact CD1-CG 4.32Å; L921-L925 HydrophobicContact CG-CD1 3.97Å; L921-L925 HydrophobicContact CG-CG 4.46Å; L921-L925 WeakPolarHBondContact O-CB 3.43Å; L921-L925 WeakPolarHBondContact O-CG 3.4Å; L921-L925 PolarHBondContact O-N 3.07Å; F922-L925 PolarHBondContact O-N 3.06Å; L923-L925 PolarHBondContact O-N 2.75Å; L925-M937 HydrophobicContact CB-CE 3.36Å; L925-M937 HydrophobicContact CD1-CE 3.9Å; L925-M937 HydrophobicContact CG-CE 4.29Å; L925-M941 HydrophobicContact CD1-CE 4.34Å
926	Q	68	Low	69.4	Low	64 Å²	64	68.7 Å²	68.7	30%	0.299	40%	0.399	S	S	.	.	H	α-helix	trans	-79.2	-36.8	174.8	-74.1	176.7	-3.4	0	0	112.3	F922 L923 T924 M937	F922-Q926 WeakPolarHBondContact O-CB 3.29Å; F922-Q926 VanDerWaalsContact O-CG 3.29Å; F922-Q926 WeakPolarHBondContact O-CG 3.26Å; F922-Q926 PolarHBondContact O-N 3.29Å; L923-Q926 PolarHBondContact O-N 2.88Å; T924-Q926 VanDerWaalsContact C-N 3.31Å; T924-Q926 PolarHBondContact O-N 3.2Å; Q926-M937 HydrophobicContact CG-CE 4.04Å; Q926-M937 HydrophobicContact CG-SD 4.32Å
927	D	63.2	Low	69.4	Low	144 Å²	144	67.6 Å²	67.6	77%	0.77	39%	0.394	S	S	*	.	H	α-helix	trans	-86.4	-22.9	-177.8	-77.1	-18.1	0	0	0	113.4	L923 T924	L923-D927 WeakPolarHBondContact O-CB 3.41Å; L923-D927 PolarHBondContact O-N 2.77Å; T924-D927 PolarHBondContact O-N 2.82Å
928	S	56.5	Low	69.2	Low	66 Å²	66	66.7 Å²	66.7	46%	0.462	39%	0.39	S	S	.	.	S	Bend	trans	-117.1	126.3	-175.6	74	0	0	0	0	112.7	T924	T924-S928 VanDerWaalsContact O-CB 3.25Å; T924-S928 WeakPolarHBondContact O-CB 3.37Å; T924-S928 PolarHBondContact O-N 2.99Å; T924-S928 PolarHBondContact O-OG 3.06Å
929	G	60.7	Low	69.2	Low	53 Å²	53	70.9 Å²	70.9	55%	0.546	41%	0.409	S	S	.	.	S	Bend	trans	97.5	-149.1	-178.1	0	0	0	0	0	113
930	E	64.8	Low	69.3	Low	60 Å²	60	70.6 Å²	70.6	28%	0.28	40%	0.404	S	S	.	.	S	Bend	trans	-73.1	135.2	166.5	-80.6	-173.5	141.6	0	0	109.3	Q633 T841 E842 A843 I932	Q633-E930 PolarHBondContact NE2-OE1 2.87Å; T841-E930 VanDerWaalsContact CA-OE2 3.3Å; T841-E930 WeakPolarHBondContact CA-OE2 3.07Å; T841-E930 WeakPolarHBondContact CB-OE1 3.47Å; T841-E930 WeakPolarHBondContact CB-OE2 3.41Å; T841-E930 HydrophobicContact CG2-CG 3.82Å; E842-E930 VanDerWaalsContact N-CD 3.32Å; E842-E930 PolarHBondContact N-OE1 3.32Å; E842-E930 VanDerWaalsContact N-OE1 3.14Å; E842-E930 PolarHBondContact N-OE2 3.34Å; A843-E930 PolarHBondContact N-OE1 2.93Å; E930-I932 PolarHBondContact O-N 3.5Å
931	A	65.5	Low	69.4	Low	89 Å²	89	66.5 Å²	66.5	74%	0.736	39%	0.385	S	S	*	.			trans	-66.3	107.1	-178.5	0	0	0	0	0	109.8
932	I	68.9	Low	69.5	Low	51 Å²	51	65.7 Å²	65.7	26%	0.262	38%	0.381	S	S	.	.			trans	-81.4	122.5	173.7	-52.6	176.3	0	0	0	107.7	E930 E936 M937 Y940	E930-I932 PolarHBondContact O-N 3.5Å; I932-E936 HydrophobicContact CG2-CB 4.09Å; I932-E936 HydrophobicContact CG2-CG 4.04Å; I932-M937 HydrophobicContact CG2-CB 3.8Å; I932-Y940 HydrophobicContact CG2-CD2 4.44Å; I932-Y940 HydrophobicContact CG2-CE2 4.43Å
933	G	69.8	Low	69.4	Low	37 Å²	37	66.6 Å²	66.6	38%	0.381	39%	0.386	S	S	.	.			trans	-63.8	148	175.7	0	0	0	0	0	111.2	A935 E936 M937	G933-A935 PolarHBondContact O-N 2.88Å; G933-A935 VanDerWaalsContact O-N 3.16Å; G933-E936 PolarHBondContact O-N 3.47Å; G933-M937 PolarHBondContact O-N 2.84Å
934	E	69.8	Low	69.5	Low	159 Å²	159	65 Å²	65	74%	0.743	38%	0.378	S	S	*	.	H	α-helix	trans	-54.6	-38.4	179.7	-169.7	-177.7	175.6	0	0	112.5	S938	E934-S938 WeakPolarHBondContact O-CB 3.38Å; E934-S938 PolarHBondContact O-N 2.68Å
935	A	71.2	Confident	69.8	Low	75 Å²	75	62.9 Å²	62.9	62%	0.62	36%	0.363	S	S	*	.	H	α-helix	trans	-65.4	-45.7	176.1	0	0	0	0	0	112.5	G933 S938 E939	G933-A935 PolarHBondContact O-N 2.88Å; G933-A935 VanDerWaalsContact O-N 3.16Å; A935-S938 PolarHBondContact O-N 2.99Å; A935-S938 PolarHBondContact O-OG 3.29Å; A935-E939 PolarHBondContact O-N 2.93Å
936	E	72.2	Confident	69.8	Low	83 Å²	83	62.8 Å²	62.8	39%	0.388	38%	0.376	S	S	.	.	H	α-helix	trans	-67	-41.2	180	-177.4	174.2	-143.3	0	0	111.3	I932 G933 S938 E939 Y940	I932-E936 HydrophobicContact CG2-CB 4.09Å; I932-E936 HydrophobicContact CG2-CG 4.04Å; G933-E936 PolarHBondContact O-N 3.47Å; E936-S938 VanDerWaalsContact C-N 3.32Å; E936-S938 PolarHBondContact O-N 2.9Å; E936-E939 WeakPolarHBondContact O-CB 3.11Å; E936-E939 PolarHBondContact O-N 3.01Å; E936-Y940 HydrophobicContact CG-CD2 4.05Å; E936-Y940 HydrophobicContact CG-CE1 4.3Å; E936-Y940 HydrophobicContact CG-CE2 3.38Å; E936-Y940 WeakPolarHBondContact O-CD2 3.41Å; E936-Y940 VanDerWaalsContact O-CG 3.31Å; E936-Y940 PolarHBondContact O-N 2.53Å; E936-Y940 PolarHBondContact OE1-OH 2.74Å
937	M	73.5	Confident	69.9	Low	8 Å²	8	61.5 Å²	61.5	4%	0.039	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-43.4	171.9	177.9	176.8	-93.8	0	0	111.6	F922 L925 Q926 I932 G933 E939 Y940 M941	F922-M937 HydrophobicContact CB-CE 4.17Å; F922-M937 HydrophobicContact CB-SD 3.68Å; F922-M937 HydrophobicContact CD1-CE 4.13Å; F922-M937 HydrophobicContact CD1-SD 3.74Å; F922-M937 HydrophobicContact CD2-SD 3.94Å; F922-M937 HydrophobicContact CE1-SD 4.34Å; F922-M937 HydrophobicContact CG-CE 4.28Å; F922-M937 HydrophobicContact CG-SD 3.52Å; F922-M937 VanDerWaalsContact CG-SD 3.52Å; L925-M937 HydrophobicContact CB-CE 3.36Å; L925-M937 HydrophobicContact CD1-CE 3.9Å; L925-M937 HydrophobicContact CG-CE 4.29Å; Q926-M937 HydrophobicContact CG-CE 4.04Å; Q926-M937 HydrophobicContact CG-SD 4.32Å; I932-M937 HydrophobicContact CG2-CB 3.8Å; G933-M937 PolarHBondContact O-N 2.84Å; M937-E939 VanDerWaalsContact C-N 3.29Å; M937-E939 PolarHBondContact O-N 2.93Å; M937-Y940 PolarHBondContact O-N 2.92Å; M937-M941 HydrophobicContact CG-CG 4.44Å; M937-M941 WeakPolarHBondContact O-CB 3.49Å; M937-M941 VanDerWaalsContact O-CG 3.25Å; M937-M941 WeakPolarHBondContact O-CG 3.39Å; M937-M941 PolarHBondContact O-N 2.92Å
938	S	72.1	Confident	69.9	Low	36 Å²	36	55.9 Å²	55.9	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-36.7	178.5	76.2	0	0	0	0	112.3	E934 A935 E936 A942	E934-S938 WeakPolarHBondContact O-CB 3.38Å; E934-S938 PolarHBondContact O-N 2.68Å; A935-S938 PolarHBondContact O-N 2.99Å; A935-S938 PolarHBondContact O-OG 3.29Å; E936-S938 VanDerWaalsContact C-N 3.32Å; E936-S938 PolarHBondContact O-N 2.9Å; S938-A942 WeakPolarHBondContact O-CB 3.38Å; S938-A942 PolarHBondContact O-N 2.98Å
939	E	73.1	Confident	70	Confident	93 Å²	93	57.2 Å²	57.2	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-50.8	175.7	-174.2	176.3	-179.3	0	0	111.1	A935 E936 M937 M941 A942 I943 L948	A935-E939 PolarHBondContact O-N 2.93Å; E936-E939 WeakPolarHBondContact O-CB 3.11Å; E936-E939 PolarHBondContact O-N 3.01Å; M937-E939 VanDerWaalsContact C-N 3.29Å; M937-E939 PolarHBondContact O-N 2.93Å; E939-M941 VanDerWaalsContact C-N 3.31Å; E939-M941 PolarHBondContact O-N 3.28Å; E939-A942 PolarHBondContact O-N 3.15Å; E939-A942 VanDerWaalsContact O-N 3.13Å; E939-I943 HydrophobicContact CG-CD1 4.29Å; E939-I943 WeakPolarHBondContact O-CG1 3.24Å; E939-I943 PolarHBondContact O-N 3.26Å; E939-L948 HydrophobicContact CG-CD1 3.92Å
940	Y	76.4	Confident	69.9	Low	108 Å²	108	62.7 Å²	62.7	42%	0.424	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-39.5	178.2	-63.8	-26.7	0	0	0	112.8	I932 E936 M937 I943 L944	I932-Y940 HydrophobicContact CG2-CD2 4.44Å; I932-Y940 HydrophobicContact CG2-CE2 4.43Å; E936-Y940 HydrophobicContact CG-CD2 4.05Å; E936-Y940 HydrophobicContact CG-CE1 4.3Å; E936-Y940 HydrophobicContact CG-CE2 3.38Å; E936-Y940 WeakPolarHBondContact O-CD2 3.41Å; E936-Y940 VanDerWaalsContact O-CG 3.31Å; E936-Y940 PolarHBondContact O-N 2.53Å; E936-Y940 PolarHBondContact OE1-OH 2.74Å; M937-Y940 PolarHBondContact O-N 2.92Å; Y940-I943 HydrophobicContact CD1-CD1 4.47Å; Y940-I943 PolarHBondContact O-N 3.09Å; Y940-L944 WeakPolarHBondContact O-CB 3.16Å; Y940-L944 WeakPolarHBondContact O-CG 3.24Å; Y940-L944 PolarHBondContact O-N 3.27Å
941	M	75.2	Confident	69	Low	13 Å²	13	62.4 Å²	62.4	6%	0.064	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-38.5	175.8	-70.7	-68	156.4	0	0	112	M918 F922 L925 M937 E939 I943 L944 W945 L969 I986	M918-M941 HydrophobicContact CE-SD 4.17Å; F922-M941 HydrophobicContact CD1-CE 4.49Å; F922-M941 HydrophobicContact CE1-CE 3.74Å; F922-M941 HydrophobicContact CE1-CG 3.91Å; F922-M941 HydrophobicContact CE1-SD 3.85Å; F922-M941 HydrophobicContact CZ-CG 3.79Å; F922-M941 HydrophobicContact CZ-SD 4.15Å; L925-M941 HydrophobicContact CD1-CE 4.34Å; M937-M941 HydrophobicContact CG-CG 4.44Å; M937-M941 WeakPolarHBondContact O-CB 3.49Å; M937-M941 VanDerWaalsContact O-CG 3.25Å; M937-M941 WeakPolarHBondContact O-CG 3.39Å; M937-M941 PolarHBondContact O-N 2.92Å; E939-M941 VanDerWaalsContact C-N 3.31Å; E939-M941 PolarHBondContact O-N 3.28Å; M941-I943 VanDerWaalsContact C-N 3.33Å; M941-I943 PolarHBondContact O-N 3.44Å; M941-L944 HydrophobicContact CE-CD1 4.44Å; M941-L944 PolarHBondContact O-N 3.24Å; M941-L944 HydrophobicContact SD-CD1 4.33Å; M941-W945 HydrophobicContact CB-CE3 4.47Å; M941-W945 HydrophobicContact CB-CZ3 4.39Å; M941-W945 WeakPolarHBondContact O-CB 3.47Å; M941-W945 PolarHBondContact O-N 2.72Å; M941-L969 HydrophobicContact CB-CD2 4.13Å; M941-I986 HydrophobicContact SD-CG2 4.45Å
942	A	75	Confident	67.9	Low	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-35.1	173.5	0	0	0	0	0	112.5	S938 E939 G946 I947 L948 I965	S938-A942 WeakPolarHBondContact O-CB 3.38Å; S938-A942 PolarHBondContact O-N 2.98Å; E939-A942 PolarHBondContact O-N 3.15Å; E939-A942 VanDerWaalsContact O-N 3.13Å; A942-G946 PolarHBondContact O-N 3.5Å; A942-I947 HydrophobicContact CB-CB 4.03Å; A942-I947 HydrophobicContact CB-CD1 4.39Å; A942-I947 HydrophobicContact CB-CG2 4.4Å; A942-I947 WeakPolarHBondContact O-CA 3.41Å; A942-I947 WeakPolarHBondContact O-CB 3.39Å; A942-I947 PolarHBondContact O-N 3.03Å; A942-L948 HydrophobicContact CB-CB 4.47Å; A942-L948 HydrophobicContact CB-CD1 3.55Å; A942-L948 HydrophobicContact CB-CG 4.03Å; A942-L948 PolarHBondContact O-N 2.7Å; A942-L948 VanDerWaalsContact O-N 3.11Å; A942-I965 HydrophobicContact CB-CD1 4.4Å; A942-I965 HydrophobicContact CB-CG1 4.4Å; A942-I965 HydrophobicContact CB-CG2 4.01Å
943	I	73.3	Confident	66.6	Low	40 Å²	40	67.3 Å²	67.3	21%	0.205	38%	0.382	C	S	.	.	H	α-helix	trans	-65.9	-50.2	172.3	-65.3	166	0	0	0	110.5	E939 Y940 M941 W945 G946 L948	E939-I943 HydrophobicContact CG-CD1 4.29Å; E939-I943 WeakPolarHBondContact O-CG1 3.24Å; E939-I943 PolarHBondContact O-N 3.26Å; Y940-I943 HydrophobicContact CD1-CD1 4.47Å; Y940-I943 PolarHBondContact O-N 3.09Å; M941-I943 VanDerWaalsContact C-N 3.33Å; M941-I943 PolarHBondContact O-N 3.44Å; I943-W945 PolarHBondContact O-N 2.9Å; I943-G946 WeakPolarHBondContact O-CA 3.42Å; I943-G946 PolarHBondContact O-N 3.13Å; I943-L948 HydrophobicContact CB-CB 4.43Å; I943-L948 HydrophobicContact CG1-CB 3.58Å; I943-L948 HydrophobicContact CG1-CD1 4.12Å; I943-L948 HydrophobicContact CG1-CG 4.49Å
944	L	73.3	Confident	65.1	Low	64 Å²	64	74.1 Å²	74.1	34%	0.335	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-30.6	179	-78.3	171.4	0	0	0	112.8	Y940 M941 G946 I986 Q988	Y940-L944 WeakPolarHBondContact O-CB 3.16Å; Y940-L944 WeakPolarHBondContact O-CG 3.24Å; Y940-L944 PolarHBondContact O-N 3.27Å; M941-L944 HydrophobicContact CE-CD1 4.44Å; M941-L944 PolarHBondContact O-N 3.24Å; M941-L944 HydrophobicContact SD-CD1 4.33Å; L944-G946 VanDerWaalsContact C-N 3.33Å; L944-I986 HydrophobicContact CD1-CG2 4.32Å; L944-Q988 PolarHBondContact O-NE2 3.23Å
945	W	73.9	Confident	63.7	Low	18 Å²	18	75.2 Å²	75.2	7%	0.068	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.9	174.3	-68.7	-25.2	0	0	0	114.7	M918 M941 I943 I947 L969 R972 D985 Q988	M918-W945 HydrophobicContact CE-CH2 3.88Å; M918-W945 HydrophobicContact CE-CZ2 3.38Å; M941-W945 HydrophobicContact CB-CE3 4.47Å; M941-W945 HydrophobicContact CB-CZ3 4.39Å; M941-W945 WeakPolarHBondContact O-CB 3.47Å; M941-W945 PolarHBondContact O-N 2.72Å; I943-W945 PolarHBondContact O-N 2.9Å; W945-I947 HydrophobicContact CB-CD1 4.05Å; W945-I947 HydrophobicContact CB-CG1 4.11Å; W945-I947 HydrophobicContact CE3-CD1 4.08Å; W945-I947 PolarHBondContact O-N 2.52Å; W945-L969 HydrophobicContact CH2-CD2 3.78Å; W945-L969 HydrophobicContact CH2-CG 4.48Å; W945-L969 HydrophobicContact CZ3-CB 4.44Å; W945-L969 HydrophobicContact CZ3-CD2 3.51Å; W945-L969 HydrophobicContact CZ3-CG 3.8Å; W945-R972 VanDerWaalsContact CD1-NH1 3.27Å; W945-R972 HydrophobicContact CH2-CB 3.8Å; W945-R972 HydrophobicContact CH2-CG 4.35Å; W945-R972 HydrophobicContact CZ2-CB 4.03Å; W945-R972 HydrophobicContact CZ2-CG 4.44Å; W945-R972 HydrophobicContact CZ3-CB 4.49Å; W945-D985 PolarHBondContact NE1-O 3.16Å; W945-Q988 VanDerWaalsContact C-NE2 3.32Å
946	G	69.6	Low	62	Low	58 Å²	58	77.9 Å²	77.9	60%	0.598	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	17.2	-179.7	0	0	0	0	0	114.1	A942 I943 L944	A942-G946 PolarHBondContact O-N 3.5Å; I943-G946 WeakPolarHBondContact O-CA 3.42Å; I943-G946 PolarHBondContact O-N 3.13Å; L944-G946 VanDerWaalsContact C-N 3.33Å
947	I	69.7	Low	60.4	Low	36 Å²	36	80.8 Å²	80.8	19%	0.185	43%	0.428	C	S	.	.	S	Bend	trans	-75.1	-38.3	174	-57.2	168.3	0	0	0	109.4	A942 W945 I965 E968	A942-I947 HydrophobicContact CB-CB 4.03Å; A942-I947 HydrophobicContact CB-CD1 4.39Å; A942-I947 HydrophobicContact CB-CG2 4.4Å; A942-I947 WeakPolarHBondContact O-CA 3.41Å; A942-I947 WeakPolarHBondContact O-CB 3.39Å; A942-I947 PolarHBondContact O-N 3.03Å; W945-I947 HydrophobicContact CB-CD1 4.05Å; W945-I947 HydrophobicContact CB-CG1 4.11Å; W945-I947 HydrophobicContact CE3-CD1 4.08Å; W945-I947 PolarHBondContact O-N 2.52Å; I947-I965 HydrophobicContact CG2-CG1 4.44Å; I947-E968 HydrophobicContact CD1-CB 4.07Å; I947-E968 VanDerWaalsContact CD1-CD 3.41Å; I947-E968 HydrophobicContact CD1-CG 3.79Å; I947-E968 WeakPolarHBondContact CD1-OE2 3.22Å
948	L	63.7	Low	59	Low	27 Å²	27	88 Å²	88	14%	0.141	46%	0.461	C	S	.	.	S	Bend	trans	-104.3	136.4	171	-78.8	161.7	0	0	0	109.5	E939 A942 I943 I960 I965	E939-L948 HydrophobicContact CG-CD1 3.92Å; A942-L948 HydrophobicContact CB-CB 4.47Å; A942-L948 HydrophobicContact CB-CD1 3.55Å; A942-L948 HydrophobicContact CB-CG 4.03Å; A942-L948 PolarHBondContact O-N 2.7Å; A942-L948 VanDerWaalsContact O-N 3.11Å; I943-L948 HydrophobicContact CB-CB 4.43Å; I943-L948 HydrophobicContact CG1-CB 3.58Å; I943-L948 HydrophobicContact CG1-CD1 4.12Å; I943-L948 HydrophobicContact CG1-CG 4.49Å; L948-I960 HydrophobicContact CD2-CD1 3.25Å; L948-I960 HydrophobicContact CG-CD1 4.35Å; L948-I965 HydrophobicContact CD1-CD1 4.26Å
949	P	58.5	Low	57.9	Low	94 Å²	94	95.8 Å²	95.8	61%	0.61	49%	0.494	S	S	*	.			trans	-63.3	149.6	168.5	26.3	-31	0	0	0	110.6	G951	P949-G951 PolarHBondContact O-N 3.23Å
950	E	57.7	Low	57	Low	168 Å²	168	95 Å²	95	79%	0.785	49%	0.492	S	S	*	.			trans	-43.4	123.3	-173.5	-69.2	177.7	177.2	0	0	113	D952	E950-D952 PolarHBondContact O-N 3.47Å
951	G	46.8	Very low	56.3	Low	54 Å²	54	94.7 Å²	94.7	56%	0.557	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	87.8	-172.6	0	0	0	0	0	112.9	P949	P949-G951 PolarHBondContact O-N 3.23Å
952	D	42.2	Very low	55.7	Low	96 Å²	96	98.8 Å²	98.8	51%	0.513	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.6	6.2	148.1	-130.1	-0.5	0	0	0	113.6	R808 F831 E950 Q954	R808-D952 IonicContact NH2-OD2 3.32Å; R808-D952 PolarHBondContact NH2-OD2 3.25Å; F831-D952 WeakPolarHBondContact CZ-OD2 3.37Å; E950-D952 PolarHBondContact O-N 3.47Å; D952-Q954 PolarHBondContact O-N 3.01Å; D952-Q954 VanDerWaalsContact O-N 3.12Å
953	H	41	Very low	55.4	Low	147 Å²	147	104.5 Å²	104.5	68%	0.681	55%	0.552	S	S	*	*			trans	-84.2	84.8	171.3	-67.8	-56.3	0	0	0	109.8	E955 M956	H953-E955 PolarHBondContact O-N 2.98Å; H953-M956 PolarHBondContact O-N 3.41Å; H953-M956 VanDerWaalsContact O-N 3.07Å
954	Q	39.2	Very low	55.2	Low	180 Å²	180	109 Å²	109	84%	0.841	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	-14.4	167.9	-89.2	-174.5	-17.7	0	0	113.5	D952	D952-Q954 PolarHBondContact O-N 3.01Å; D952-Q954 VanDerWaalsContact O-N 3.12Å
955	E	40.8	Very low	54.8	Low	182 Å²	182	106.9 Å²	106.9	85%	0.85	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-4.2	180	-64	-172.1	161.8	0	0	115.3	H953	H953-E955 PolarHBondContact O-N 2.98Å
956	M	35	Very low	54.6	Low	131 Å²	131	112.2 Å²	112.2	65%	0.645	58%	0.582	S	S	*	*			trans	-124.3	25.6	-175.3	-69.4	-70.4	-69.4	0	0	115	H953 E958	H953-M956 PolarHBondContact O-N 3.41Å; H953-M956 VanDerWaalsContact O-N 3.07Å; M956-E958 PolarHBondContact O-N 2.88Å
957	L	37.6	Very low	54.6	Low	144 Å²	144	115.7 Å²	115.7	75%	0.754	58%	0.581	S	S	*	*			trans	-73	63.8	167.7	-79.8	155.3	0	0	0	110.7
958	E	44.4	Very low	54.6	Low	158 Å²	158	117 Å²	117	74%	0.738	59%	0.586	S	S	*	*			trans	-69.3	136.7	158.5	-75.7	-168.4	159.4	0	0	108.8	M956 I960	M956-E958 PolarHBondContact O-N 2.88Å; E958-I960 PolarHBondContact O-N 3.05Å
959	Q	50	Low	54.8	Low	201 Å²	201	116.6 Å²	116.6	94%	0.939	58%	0.584	S	S	*	*			trans	-53.1	98.4	-170.7	-68.2	172.6	-12.4	0	0	112.9
960	I	53.1	Low	55.3	Low	77 Å²	77	117.3 Å²	117.3	40%	0.395	58%	0.579	S	S	.	*			trans	-87.3	132.2	170.9	-69.3	163.9	0	0	0	108.9	L948 E958 P962 I965	L948-I960 HydrophobicContact CD2-CD1 3.25Å; L948-I960 HydrophobicContact CG-CD1 4.35Å; E958-I960 PolarHBondContact O-N 3.05Å; I960-P962 WeakPolarHBondContact O-CD 3.35Å; I960-I965 HydrophobicContact CG2-CD1 3.93Å; I960-I965 HydrophobicContact CG2-CG1 4.23Å
961	D	62.8	Low	56	Low	100 Å²	100	112.8 Å²	112.8	54%	0.535	57%	0.566	S	S	.	*			trans	-71.7	114.8	-178	-169	-5.9	0	0	0	110.8	E963 K964	D961-E963 PolarHBondContact O-N 3.28Å; D961-E963 VanDerWaalsContact O-N 3.11Å; D961-E963 PolarHBondContact OD1-N 2.89Å; D961-K964 WeakPolarHBondContact O-CB 3.23Å; D961-K964 PolarHBondContact O-N 3.09Å
962	P	63.2	Low	56.9	Low	99 Å²	99	114.2 Å²	114.2	64%	0.643	56%	0.555	S	S	*	*	H	α-helix	trans	-56.3	-28.7	-178.6	-23.2	32.2	0	0	0	113.6	I960 K964 I965 K966	I960-P962 WeakPolarHBondContact O-CD 3.35Å; P962-K964 VanDerWaalsContact C-N 3.3Å; P962-K964 PolarHBondContact O-N 2.72Å; P962-I965 PolarHBondContact O-N 3.05Å; P962-K966 PolarHBondContact O-N 2.58Å; P962-K966 VanDerWaalsContact O-N 3.15Å
963	E	66.9	Low	57.9	Low	121 Å²	121	111.9 Å²	111.9	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-66.5	-31.4	178	-83.2	-152.1	173.1	0	0	113.1	D961 K966 K967	D961-E963 PolarHBondContact O-N 3.28Å; D961-E963 VanDerWaalsContact O-N 3.11Å; D961-E963 PolarHBondContact OD1-N 2.89Å; E963-K966 PolarHBondContact O-N 3.47Å; E963-K967 PolarHBondContact O-N 3.15Å; E963-K967 IonicContact OE2-NZ 3.52Å
964	K	69	Low	58.7	Low	133 Å²	133	109.8 Å²	109.8	58%	0.578	54%	0.543	S	S	*	.	H	α-helix	trans	-67.9	-45.4	-179.8	-170.2	-176.9	175.1	-168	0	110.4	D961 P962 K966 K967 E968	D961-K964 WeakPolarHBondContact O-CB 3.23Å; D961-K964 PolarHBondContact O-N 3.09Å; P962-K964 VanDerWaalsContact C-N 3.3Å; P962-K964 PolarHBondContact O-N 2.72Å; K964-K966 VanDerWaalsContact C-N 3.32Å; K964-K966 PolarHBondContact O-N 2.76Å; K964-K967 PolarHBondContact O-N 3.14Å; K964-E968 WeakPolarHBondContact O-CB 3.49Å; K964-E968 PolarHBondContact O-N 2.73Å; K964-E968 VanDerWaalsContact O-N 3.11Å
965	I	66.5	Low	60.1	Low	21 Å²	21	107.3 Å²	107.3	11%	0.108	53%	0.529	C	S	.	.	H	α-helix	trans	-58.9	-46.3	175.9	-63.4	174.4	0	0	0	109.8	A942 I947 L948 I960 P962 E968 L969	A942-I965 HydrophobicContact CB-CD1 4.4Å; A942-I965 HydrophobicContact CB-CG1 4.4Å; A942-I965 HydrophobicContact CB-CG2 4.01Å; I947-I965 HydrophobicContact CG2-CG1 4.44Å; L948-I965 HydrophobicContact CD1-CD1 4.26Å; I960-I965 HydrophobicContact CG2-CD1 3.93Å; I960-I965 HydrophobicContact CG2-CG1 4.23Å; P962-I965 PolarHBondContact O-N 3.05Å; I965-E968 PolarHBondContact O-N 3.13Å; I965-L969 HydrophobicContact CG2-CD1 3.73Å; I965-L969 WeakPolarHBondContact O-CB 3.48Å; I965-L969 PolarHBondContact O-N 3.13Å
966	K	68.2	Low	61.7	Low	129 Å²	129	102.6 Å²	102.6	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-61.1	-46.8	179.7	-168.7	178.8	-178.7	-176.6	0	113.1	P962 E963 K964 E968 L969 E970	P962-K966 PolarHBondContact O-N 2.58Å; P962-K966 VanDerWaalsContact O-N 3.15Å; E963-K966 PolarHBondContact O-N 3.47Å; K964-K966 VanDerWaalsContact C-N 3.32Å; K964-K966 PolarHBondContact O-N 2.76Å; K966-E968 VanDerWaalsContact C-N 3.3Å; K966-E968 PolarHBondContact O-N 3.31Å; K966-L969 WeakPolarHBondContact O-CB 3.45Å; K966-L969 PolarHBondContact O-N 3.35Å; K966-E970 WeakPolarHBondContact CE-OE1 3.44Å; K966-E970 WeakPolarHBondContact O-CB 3.27Å; K966-E970 WeakPolarHBondContact O-CG 3.36Å; K966-E970 PolarHBondContact O-N 3.05Å
967	K	70.7	Confident	63.4	Low	132 Å²	132	97.1 Å²	97.1	57%	0.574	49%	0.488	S	S	*	.	H	α-helix	trans	-62.2	-38.5	177.9	-79.8	176.7	-179	155.9	0	112.4	E963 K964 S971	E963-K967 PolarHBondContact O-N 3.15Å; E963-K967 IonicContact OE2-NZ 3.52Å; K964-K967 PolarHBondContact O-N 3.14Å; K967-S971 WeakPolarHBondContact O-CB 3.47Å; K967-S971 PolarHBondContact O-N 2.7Å
968	E	69.1	Low	65	Low	64 Å²	64	92.2 Å²	92.2	30%	0.299	46%	0.462	S	S	.	.	H	α-helix	trans	-72.1	-40.4	-179	-152.9	159.6	-175	0	0	111.2	I947 K964 I965 K966 S971 R972	I947-E968 HydrophobicContact CD1-CB 4.07Å; I947-E968 VanDerWaalsContact CD1-CD 3.41Å; I947-E968 HydrophobicContact CD1-CG 3.79Å; I947-E968 WeakPolarHBondContact CD1-OE2 3.22Å; K964-E968 WeakPolarHBondContact O-CB 3.49Å; K964-E968 PolarHBondContact O-N 2.73Å; K964-E968 VanDerWaalsContact O-N 3.11Å; I965-E968 PolarHBondContact O-N 3.13Å; K966-E968 VanDerWaalsContact C-N 3.3Å; K966-E968 PolarHBondContact O-N 3.31Å; E968-S971 PolarHBondContact O-N 3.45Å; E968-S971 PolarHBondContact O-OG 2.81Å; E968-R972 PolarHBondContact O-N 3Å
969	L	67.6	Low	66	Low	18 Å²	18	88.3 Å²	88.3	9%	0.094	46%	0.457	C	S	.	.	H	α-helix	trans	-54.4	-58.2	167.7	-87.5	156.6	0	0	0	111.3	F922 M941 W945 I965 K966 S971 R972 M973	F922-L969 HydrophobicContact CE2-CD2 3.91Å; F922-L969 HydrophobicContact CZ-CD2 3.93Å; M941-L969 HydrophobicContact CB-CD2 4.13Å; W945-L969 HydrophobicContact CH2-CD2 3.78Å; W945-L969 HydrophobicContact CH2-CG 4.48Å; W945-L969 HydrophobicContact CZ3-CB 4.44Å; W945-L969 HydrophobicContact CZ3-CD2 3.51Å; W945-L969 HydrophobicContact CZ3-CG 3.8Å; I965-L969 HydrophobicContact CG2-CD1 3.73Å; I965-L969 WeakPolarHBondContact O-CB 3.48Å; I965-L969 PolarHBondContact O-N 3.13Å; K966-L969 WeakPolarHBondContact O-CB 3.45Å; K966-L969 PolarHBondContact O-N 3.35Å; L969-S971 PolarHBondContact O-N 2.98Å; L969-R972 PolarHBondContact O-N 3.03Å; L969-M973 VanDerWaalsContact O-CG 3.28Å; L969-M973 WeakPolarHBondContact O-CG 3.45Å; L969-M973 PolarHBondContact O-N 3.5Å
970	E	70.3	Confident	66.7	Low	109 Å²	109	83.7 Å²	83.7	51%	0.509	44%	0.435	S	S	.	.	H	α-helix	trans	-54.4	-38.1	-179.5	-75	174.9	-179.2	0	0	112.3	K966 R972 M973	K966-E970 WeakPolarHBondContact CE-OE1 3.44Å; K966-E970 WeakPolarHBondContact O-CB 3.27Å; K966-E970 WeakPolarHBondContact O-CG 3.36Å; K966-E970 PolarHBondContact O-N 3.05Å; E970-R972 VanDerWaalsContact C-N 3.28Å; E970-R972 PolarHBondContact O-N 3.08Å; E970-M973 PolarHBondContact O-N 2.92Å
971	S	71.1	Confident	67.5	Low	72 Å²	72	81.7 Å²	81.7	50%	0.503	43%	0.427	S	S	.	.	H	α-helix	trans	-66.8	-26	178.5	80.7	0	0	0	0	114.3	K967 E968 L969	K967-S971 WeakPolarHBondContact O-CB 3.47Å; K967-S971 PolarHBondContact O-N 2.7Å; E968-S971 PolarHBondContact O-N 3.45Å; E968-S971 PolarHBondContact O-OG 2.81Å; L969-S971 PolarHBondContact O-N 2.98Å
972	R	67.5	Low	68	Low	85 Å²	85	80.3 Å²	80.3	32%	0.321	42%	0.416	S	S	.	.	H	α-helix	trans	-97.2	-21	-179.5	-68.7	-169.5	-179.1	-151.2	5.3	113	W945 E968 L969 E970 S974 K975	W945-R972 VanDerWaalsContact CD1-NH1 3.27Å; W945-R972 HydrophobicContact CH2-CB 3.8Å; W945-R972 HydrophobicContact CH2-CG 4.35Å; W945-R972 HydrophobicContact CZ2-CB 4.03Å; W945-R972 HydrophobicContact CZ2-CG 4.44Å; W945-R972 HydrophobicContact CZ3-CB 4.49Å; E968-R972 PolarHBondContact O-N 3Å; L969-R972 PolarHBondContact O-N 3.03Å; E970-R972 VanDerWaalsContact C-N 3.28Å; E970-R972 PolarHBondContact O-N 3.08Å; R972-S974 PolarHBondContact O-N 3.38Å; R972-S974 VanDerWaalsContact O-N 3.1Å; R972-K975 PolarHBondContact O-N 3.48Å
973	M	61.5	Low	68.1	Low	47 Å²	47	77.7 Å²	77.7	23%	0.232	40%	0.398	C	S	.	.	H	α-helix	trans	-58.1	-27.2	-177.4	-67.6	-165.4	94.7	0	0	113.8	E919 F922 L969 E970 K975	E919-M973 HydrophobicContact CG-CE 3.62Å; F922-M973 HydrophobicContact CD2-CE 3.59Å; F922-M973 HydrophobicContact CE2-CE 3.81Å; L969-M973 VanDerWaalsContact O-CG 3.28Å; L969-M973 WeakPolarHBondContact O-CG 3.45Å; L969-M973 PolarHBondContact O-N 3.5Å; E970-M973 PolarHBondContact O-N 2.92Å; M973-K975 VanDerWaalsContact C-N 3.33Å; M973-K975 PolarHBondContact O-N 3.43Å
974	S	58.6	Low	68.2	Low	102 Å²	102	74.3 Å²	74.3	71%	0.713	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-2	-174.6	69	0	0	0	0	115.5	R972	R972-S974 PolarHBondContact O-N 3.38Å; R972-S974 VanDerWaalsContact O-N 3.1Å
975	K	68.8	Low	68.2	Low	129 Å²	129	71.7 Å²	71.7	56%	0.561	38%	0.38	S	S	*	.	S	Bend	trans	-93.4	129.2	-177.8	-69.2	-176.5	-179.1	178.9	0	110.9	R972 M973	R972-K975 PolarHBondContact O-N 3.48Å; M973-K975 VanDerWaalsContact C-N 3.33Å; M973-K975 PolarHBondContact O-N 3.43Å
976	P	73.5	Confident	68.5	Low	83 Å²	83	71 Å²	71	54%	0.539	38%	0.377	S	S	.	.			trans	-67.6	133.8	171.9	27.1	-31.7	0	0	0	110.1	T915	T915-P976 HydrophobicContact CG2-CB 4.33Å
977	I	70.5	Confident	68.5	Low	15 Å²	15	68.1 Å²	68.1	8%	0.077	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-104.7	120.8	-178.3	-59.3	157.9	0	0	0	108	T915 M916 M918 L921 T981 F982 I986	T915-I977 WeakPolarHBondContact CA-O 3.39Å; M916-I977 HydrophobicContact CG-CB 4.23Å; M916-I977 PolarHBondContact N-O 3.03Å; M916-I977 PolarHBondContact O-N 2.72Å; M918-I977 HydrophobicContact CB-CD1 3.91Å; M918-I977 HydrophobicContact CE-CD1 4.37Å; M918-I977 HydrophobicContact CG-CD1 4.28Å; M918-I977 HydrophobicContact SD-CD1 3.42Å; M918-I977 WeakPolarHBondContact SD-CD1 3.19Å; L921-I977 HydrophobicContact CD2-CD1 4.41Å; I977-T981 WeakPolarHBondContact CA-OG1 3.43Å; I977-F982 HydrophobicContact CG2-CB 3.69Å; I977-F982 HydrophobicContact CG2-CD2 4.24Å; I977-F982 HydrophobicContact CG2-CG 4.48Å; I977-I986 HydrophobicContact CD1-CD1 3.68Å; I977-I986 HydrophobicContact CG1-CD1 4.3Å; I977-I986 HydrophobicContact CG2-CD1 4.3Å
978	N	72.2	Confident	68.4	Low	41 Å²	41	66.9 Å²	66.9	22%	0.219	36%	0.364	C	S	.	.			trans	-100.2	173.6	160.3	66.8	37.7	0	0	0	110.4	T915 E980 T981 F982	T915-N978 HydrophobicContact CG2-CB 4.09Å; N978-E980 VanDerWaalsContact C-N 3.3Å; N978-E980 PolarHBondContact O-N 3.24Å; N978-E980 WeakPolarHBondContact OD1-CB 3.06Å; N978-E980 PolarHBondContact OD1-N 3.33Å; N978-T981 PolarHBondContact N-OG1 3.25Å; N978-T981 PolarHBondContact O-N 3.35Å; N978-T981 PolarHBondContact O-OG1 3.23Å; N978-T981 PolarHBondContact OD1-N 3.34Å; N978-T981 PolarHBondContact OD1-OG1 3.05Å; N978-T981 VanDerWaalsContact OD1-OG1 3.04Å; N978-F982 WeakPolarHBondContact O-CB 2.96Å; N978-F982 PolarHBondContact O-N 3Å
979	A	65	Low	68	Low	76 Å²	76	69.5 Å²	69.5	63%	0.628	38%	0.377	S	S	*	.	H	α-helix	trans	-56.3	-39.3	-179.1	0	0	0	0	0	113.8	F982 V983	A979-F982 PolarHBondContact O-N 3.41Å; A979-V983 WeakPolarHBondContact O-CG2 3.4Å; A979-V983 PolarHBondContact O-N 3.07Å; A979-V983 VanDerWaalsContact O-N 3.16Å
980	E	64.9	Low	67.4	Low	104 Å²	104	79 Å²	79	49%	0.486	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-47.5	178.1	-73.6	163.3	-151.7	0	0	110.8	K913 N978 F982 V983 S984	K913-E980 IonicContact NZ-OE1 3.75Å; K913-E980 PolarHBondContact NZ-OE1 2.99Å; K913-E980 IonicContact NZ-OE2 3.7Å; N978-E980 VanDerWaalsContact C-N 3.3Å; N978-E980 PolarHBondContact O-N 3.24Å; N978-E980 WeakPolarHBondContact OD1-CB 3.06Å; N978-E980 PolarHBondContact OD1-N 3.33Å; E980-F982 VanDerWaalsContact C-N 3.32Å; E980-F982 PolarHBondContact O-N 2.88Å; E980-V983 PolarHBondContact O-N 3.02Å; E980-S984 WeakPolarHBondContact O-CB 3.38Å; E980-S984 PolarHBondContact O-N 3.32Å; E980-S984 PolarHBondContact O-OG 2.8Å
981	T	69.9	Low	66.4	Low	36 Å²	36	78 Å²	78	22%	0.221	42%	0.415	C	S	.	.	H	α-helix	trans	-67.1	-30.1	176.8	51.7	0	0	0	0	112.9	I977 N978 S984 D985	I977-T981 WeakPolarHBondContact CA-OG1 3.43Å; N978-T981 PolarHBondContact N-OG1 3.25Å; N978-T981 PolarHBondContact O-N 3.35Å; N978-T981 PolarHBondContact O-OG1 3.23Å; N978-T981 PolarHBondContact OD1-N 3.34Å; N978-T981 PolarHBondContact OD1-OG1 3.05Å; N978-T981 VanDerWaalsContact OD1-OG1 3.04Å; T981-S984 WeakPolarHBondContact CA-OG 3.45Å; T981-D985 WeakPolarHBondContact O-CA 3.35Å; T981-D985 WeakPolarHBondContact O-CB 3.21Å; T981-D985 PolarHBondContact O-N 3.32Å
982	F	72.1	Confident	65.1	Low	70 Å²	70	85.1 Å²	85.1	31%	0.307	43%	0.432	S	S	.	.	I	π-helix	trans	-64	-46.1	173.7	-178.2	-97.3	0	0	0	110.4	L921 I977 N978 A979 E980 I986 L987	L921-F982 HydrophobicContact CD2-CD2 4.24Å; L921-F982 HydrophobicContact CD2-CE2 3.87Å; I977-F982 HydrophobicContact CG2-CB 3.69Å; I977-F982 HydrophobicContact CG2-CD2 4.24Å; I977-F982 HydrophobicContact CG2-CG 4.48Å; N978-F982 WeakPolarHBondContact O-CB 2.96Å; N978-F982 PolarHBondContact O-N 3Å; A979-F982 PolarHBondContact O-N 3.41Å; E980-F982 VanDerWaalsContact C-N 3.32Å; E980-F982 PolarHBondContact O-N 2.88Å; F982-I986 HydrophobicContact CD2-CB 4.3Å; F982-I986 HydrophobicContact CD2-CD1 3.67Å; F982-I986 HydrophobicContact CE2-CB 4.47Å; F982-I986 HydrophobicContact CE2-CD1 4.12Å; F982-I986 HydrophobicContact CE2-CG2 4.18Å; F982-I986 WeakPolarHBondContact O-CB 3.28Å; F982-I986 PolarHBondContact O-N 3.22Å; F982-L987 HydrophobicContact CD1-CD1 4.04Å; F982-L987 HydrophobicContact CD1-CG 4.24Å; F982-L987 HydrophobicContact CE1-CD1 3.65Å; F982-L987 HydrophobicContact CE1-CD2 4.31Å; F982-L987 HydrophobicContact CE1-CG 3.85Å; F982-L987 HydrophobicContact CZ-CD2 4.44Å; F982-L987 HydrophobicContact CZ-CG 4.37Å; F982-L987 PolarHBondContact O-N 3.02Å
983	V	66.4	Low	63.9	Low	44 Å²	44	83.8 Å²	83.8	27%	0.267	45%	0.445	S	S	.	.	I	π-helix	trans	-68.7	-44.9	178.9	178.8	0	0	0	0	111.2	A979 E980 Q988 M989 V991	A979-V983 WeakPolarHBondContact O-CG2 3.4Å; A979-V983 PolarHBondContact O-N 3.07Å; A979-V983 VanDerWaalsContact O-N 3.16Å; E980-V983 PolarHBondContact O-N 3.02Å; V983-Q988 PolarHBondContact O-N 3.04Å; V983-M989 HydrophobicContact CG1-CB 3.81Å; V983-M989 PolarHBondContact O-N 3.3Å; V983-V991 HydrophobicContact CB-CG2 4.1Å; V983-V991 HydrophobicContact CG1-CG2 3.72Å
984	S	68.8	Low	62.7	Low	51 Å²	51	90.8 Å²	90.8	36%	0.357	48%	0.477	S	S	.	.	I	π-helix	trans	-76.8	-43.5	-177.1	68.1	0	0	0	0	114	E980 T981 Q988	E980-S984 WeakPolarHBondContact O-CB 3.38Å; E980-S984 PolarHBondContact O-N 3.32Å; E980-S984 PolarHBondContact O-OG 2.8Å; T981-S984 WeakPolarHBondContact CA-OG 3.45Å; S984-Q988 WeakPolarHBondContact O-CA 3.39Å
985	D	69.7	Low	61.7	Low	77 Å²	77	93 Å²	93	41%	0.412	48%	0.48	S	S	.	.	I	π-helix	trans	-98.7	-29.9	-166.8	-59.8	-0.3	0	0	0	112.7	W945 T981	W945-D985 PolarHBondContact NE1-O 3.16Å; T981-D985 WeakPolarHBondContact O-CA 3.35Å; T981-D985 WeakPolarHBondContact O-CB 3.21Å; T981-D985 PolarHBondContact O-N 3.32Å
986	I	71.7	Confident	59.9	Low	7 Å²	7	95.5 Å²	95.5	4%	0.036	49%	0.491	C	S	.	.	I	π-helix	trans	-98.4	-55.9	-179.8	-64.1	170.4	0	0	0	110.4	M918 L921 M941 L944 I977 F982 Q988	M918-I986 HydrophobicContact CE-CD1 3.67Å; M918-I986 HydrophobicContact CE-CG1 4.09Å; M918-I986 HydrophobicContact SD-CD1 4.02Å; L921-I986 HydrophobicContact CD2-CD1 4.15Å; M941-I986 HydrophobicContact SD-CG2 4.45Å; L944-I986 HydrophobicContact CD1-CG2 4.32Å; I977-I986 HydrophobicContact CD1-CD1 3.68Å; I977-I986 HydrophobicContact CG1-CD1 4.3Å; I977-I986 HydrophobicContact CG2-CD1 4.3Å; F982-I986 HydrophobicContact CD2-CB 4.3Å; F982-I986 HydrophobicContact CD2-CD1 3.67Å; F982-I986 HydrophobicContact CE2-CB 4.47Å; F982-I986 HydrophobicContact CE2-CD1 4.12Å; F982-I986 HydrophobicContact CE2-CG2 4.18Å; F982-I986 WeakPolarHBondContact O-CB 3.28Å; F982-I986 PolarHBondContact O-N 3.22Å; I986-Q988 VanDerWaalsContact C-N 3.26Å; I986-Q988 PolarHBondContact O-N 3.09Å
987	L	67.9	Low	57.9	Low	68 Å²	68	100.3 Å²	100.3	36%	0.356	51%	0.512	S	S	.	.	S	Bend	trans	-77.2	-13.1	179.5	-61.7	-179.6	0	0	0	113.2	F982 M989	F982-L987 HydrophobicContact CD1-CD1 4.04Å; F982-L987 HydrophobicContact CD1-CG 4.24Å; F982-L987 HydrophobicContact CE1-CD1 3.65Å; F982-L987 HydrophobicContact CE1-CD2 4.31Å; F982-L987 HydrophobicContact CE1-CG 3.85Å; F982-L987 HydrophobicContact CZ-CD2 4.44Å; F982-L987 HydrophobicContact CZ-CG 4.37Å; F982-L987 PolarHBondContact O-N 3.02Å; L987-M989 HydrophobicContact CB-CB 4.44Å; L987-M989 HydrophobicContact CB-CG 3.93Å; L987-M989 HydrophobicContact CB-SD 4.16Å; L987-M989 HydrophobicContact CD1-SD 4.2Å; L987-M989 PolarHBondContact O-N 2.85Å; L987-M989 VanDerWaalsContact O-N 3.14Å
988	Q	68.6	Low	56	Low	107 Å²	107	104.5 Å²	104.5	50%	0.5	54%	0.542	S	S	.	.			trans	52.3	30	-174	-58.2	-165.3	20.4	0	0	113.8	L944 W945 V983 S984 I986	L944-Q988 PolarHBondContact O-NE2 3.23Å; W945-Q988 VanDerWaalsContact C-NE2 3.32Å; V983-Q988 PolarHBondContact O-N 3.04Å; S984-Q988 WeakPolarHBondContact O-CA 3.39Å; I986-Q988 VanDerWaalsContact C-N 3.26Å; I986-Q988 PolarHBondContact O-N 3.09Å
989	M	60.4	Low	54.1	Low	118 Å²	118	108.5 Å²	108.5	58%	0.581	57%	0.568	S	S	*	*			trans	-92.4	137.5	178.7	-66.1	-178.7	79.4	0	0	109.9	V983 L987 V991	V983-M989 HydrophobicContact CG1-CB 3.81Å; V983-M989 PolarHBondContact O-N 3.3Å; L987-M989 HydrophobicContact CB-CB 4.44Å; L987-M989 HydrophobicContact CB-CG 3.93Å; L987-M989 HydrophobicContact CB-SD 4.16Å; L987-M989 HydrophobicContact CD1-SD 4.2Å; L987-M989 PolarHBondContact O-N 2.85Å; L987-M989 VanDerWaalsContact O-N 3.14Å; M989-V991 PolarHBondContact O-N 2.94Å
990	Y	56.6	Low	52.4	Low	218 Å²	218	109.8 Å²	109.8	86%	0.855	57%	0.572	S	S	*	*			trans	-71.8	117.1	174.8	-73.2	-87.5	0	0	0	110.1	Y992	Y990-Y992 PolarHBondContact O-N 3.19Å; Y990-Y992 VanDerWaalsContact O-N 3.16Å
991	V	48.1	Very low	50.7	Low	89 Å²	89	113.4 Å²	113.4	54%	0.539	59%	0.589	S	S	.	*			trans	-71.8	105.2	165.3	-175.1	0	0	0	0	107.1	V983 M989 G993	V983-V991 HydrophobicContact CB-CG2 4.1Å; V983-V991 HydrophobicContact CG1-CG2 3.72Å; M989-V991 PolarHBondContact O-N 2.94Å; V991-G993 PolarHBondContact O-N 2.68Å
992	Y	43.6	Very low	48.8	Very low	221 Å²	221	117.1 Å²	117.1	87%	0.867	62%	0.616	S	S	*	*			trans	-61.7	104	173.2	-102.1	-91.6	0	0	0	109	Y990	Y990-Y992 PolarHBondContact O-N 3.19Å; Y990-Y992 VanDerWaalsContact O-N 3.16Å
993	G	42.6	Very low	46.6	Very low	57 Å²	57	122.2 Å²	122.2	59%	0.588	64%	0.641	S	S	*	*			trans	-75.1	135.8	168.3	0	0	0	0	0	110	V991 D995	V991-G993 PolarHBondContact O-N 2.68Å; G993-D995 PolarHBondContact O-N 3.02Å
994	E	36.7	Very low	44.8	Very low	193 Å²	193	128.7 Å²	128.7	90%	0.902	67%	0.669	S	S	*	*	S	Bend	trans	-59.9	-6.5	178.8	-75	-174.1	141.9	0	0	114.5	K996	E994-K996 PolarHBondContact O-N 2.94Å
995	D	37.3	Very low	43	Very low	148 Å²	148	131.8 Å²	131.8	79%	0.791	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	89.9	-179.5	-71.9	-31.7	0	0	0	112	G993	G993-D995 PolarHBondContact O-N 3.02Å
996	K	32.2	Very low	41.1	Very low	182 Å²	182	136.6 Å²	136.6	79%	0.791	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.3	50.9	139.2	-85.6	164.7	-173.1	180	0	113	E994 S998	E994-K996 PolarHBondContact O-N 2.94Å; K996-S998 PolarHBondContact O-N 2.66Å
997	L	30.6	Very low	38.9	Very low	184 Å²	184	142 Å²	142	96%	0.963	75%	0.75	S	S	*	*			trans	-79.6	65.2	155.8	-86	156	0	0	0	109.8
998	S	30.3	Very low	37.1	Very low	103 Å²	103	141.6 Å²	141.6	72%	0.72	76%	0.763	S	S	*	*			trans	-142.8	53.3	164.9	74.1	0	0	0	0	109.6	K996	K996-S998 PolarHBondContact O-N 2.66Å
999	V	33	Very low	35.2	Very low	126 Å²	126	146.3 Å²	146.3	76%	0.764	78%	0.782	S	S	*	*			trans	-92.9	101.9	166.6	-177.2	0	0	0	0	106.7	H1001	V999-H1001 PolarHBondContact O-N 3.25Å
1000	S	28.9	Very low	33.8	Very low	102 Å²	102	148.1 Å²	148.1	71%	0.713	79%	0.792	S	S	*	*			trans	-47.8	119.1	170.9	48.8	0	0	0	0	110.7	S1002	S1000-S1002 PolarHBondContact O-N 2.93Å
1001	H	28.9	Very low	32.4	Very low	180 Å²	180	145.9 Å²	145.9	83%	0.833	79%	0.79	S	S	*	*			trans	-54.9	101.2	170.6	-67.6	-75.7	0	0	0	110.7	V999	V999-H1001 PolarHBondContact O-N 3.25Å
1002	S	29.5	Very low	31.4	Very low	114 Å²	114	150.7 Å²	150.7	80%	0.797	80%	0.803	S	S	*	*			trans	-96.2	89.6	155.2	57.1	0	0	0	0	107.1	S1000 E1004	S1000-S1002 PolarHBondContact O-N 2.93Å; S1002-E1004 PolarHBondContact O-N 3.03Å
1003	E	27.5	Very low	30.6	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	80%	0.798	S	S	*	*			trans	-65	105	169.7	-67.6	-179.4	157.6	0	0	109.2
1004	E	27.2	Very low	29.8	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	81%	0.809	S	S	*	*			trans	-106.6	118.8	155.3	-86.6	-167.3	161.5	0	0	108.8	S1002 L1006	S1002-E1004 PolarHBondContact O-N 3.03Å; E1004-L1006 PolarHBondContact O-N 3.37Å
1005	P	31	Very low	29.4	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	80%	0.802	S	S	*	*			trans	-81.9	106.1	-171.9	31.2	-31.4	0	0	0	110.3	S1007	P1005-S1007 VanDerWaalsContact C-N 3.29Å; P1005-S1007 PolarHBondContact O-N 3.08Å
1006	L	29.8	Very low	28.9	Very low	178 Å²	178	145.9 Å²	145.9	93%	0.932	80%	0.804	S	S	*	*			trans	-68.1	89.5	165	-85.2	156.8	0	0	0	109.6	E1004 G1008	E1004-L1006 PolarHBondContact O-N 3.37Å; L1006-G1008 VanDerWaalsContact C-N 3.25Å; L1006-G1008 PolarHBondContact O-N 2.82Å
1007	S	27	Very low	28.7	Very low	119 Å²	119	144.5 Å²	144.5	83%	0.832	80%	0.804	S	S	*	*			trans	-74.9	72	170.4	50	0	0	0	0	110.9	P1005	P1005-S1007 VanDerWaalsContact C-N 3.29Å; P1005-S1007 PolarHBondContact O-N 3.08Å
1008	G	30.2	Very low	28.6	Very low	61 Å²	61	141 Å²	141	63%	0.629	79%	0.793	S	S	*	*			trans	-95.1	102.3	168.6	0	0	0	0	0	110.6	L1006 I1010	L1006-G1008 VanDerWaalsContact C-N 3.25Å; L1006-G1008 PolarHBondContact O-N 2.82Å; G1008-I1010 PolarHBondContact O-N 2.96Å
1009	K	27.4	Very low	28.5	Very low	206 Å²	206	143.7 Å²	143.7	90%	0.896	80%	0.799	S	S	*	*			trans	-56.2	102.1	172.3	-77.4	175.1	173.2	177.2	0	110.5	E1011	K1009-E1011 PolarHBondContact O-N 3.14Å
1010	I	30.5	Very low	28.3	Very low	155 Å²	155	144.7 Å²	144.7	80%	0.795	80%	0.8	S	S	*	*			trans	-87.7	103.9	163.6	-61.7	173.5	0	0	0	106.6	G1008 K1012	G1008-I1010 PolarHBondContact O-N 2.96Å; I1010-K1012 PolarHBondContact O-N 3.11Å; I1010-K1012 VanDerWaalsContact O-N 3.08Å
1011	E	27.7	Very low	28.2	Very low	172 Å²	172	148.1 Å²	148.1	80%	0.804	81%	0.809	S	S	*	*			trans	-62.2	106.3	169.8	-77.7	-178	156.1	0	0	109	K1009 T1013	K1009-E1011 PolarHBondContact O-N 3.14Å; E1011-T1013 PolarHBondContact O-N 3.05Å
1012	K	27.2	Very low	28.2	Very low	189 Å²	189	144.3 Å²	144.3	82%	0.822	81%	0.809	S	S	*	*			trans	-63.4	100.6	170.3	-75.4	-177.1	175.1	-177.1	0	109.3	I1010 N1014	I1010-K1012 PolarHBondContact O-N 3.11Å; I1010-K1012 VanDerWaalsContact O-N 3.08Å; K1012-N1014 PolarHBondContact O-N 2.77Å
1013	T	28	Very low	28.2	Very low	125 Å²	125	143.6 Å²	143.6	77%	0.767	80%	0.804	S	S	*	*			trans	-76.7	99.4	162.6	38.1	0	0	0	0	108.4	E1011 T1015	E1011-T1013 PolarHBondContact O-N 3.05Å; T1013-T1015 PolarHBondContact O-N 3.18Å
1014	N	24.8	Very low	28.1	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	81%	0.806	S	S	*	*			trans	-58.6	102.8	171	-78.1	-28.3	0	0	0	110	K1012	K1012-N1014 PolarHBondContact O-N 2.77Å
1015	T	29.1	Very low	28	Very low	123 Å²	123	143.5 Å²	143.5	76%	0.755	81%	0.809	S	S	*	*			trans	-116.8	89.9	159	45.4	0	0	0	0	107.6	T1013 L1017	T1013-T1015 PolarHBondContact O-N 3.18Å; T1015-L1017 PolarHBondContact O-N 2.97Å
1016	S	26.1	Very low	27.7	Very low	119 Å²	119	146.9 Å²	146.9	83%	0.832	81%	0.812	S	S	*	*			trans	-69.1	103.1	172.5	51.1	0	0	0	0	109.5
1017	L	27.2	Very low	27.5	Very low	153 Å²	153	149.6 Å²	149.6	80%	0.801	81%	0.811	S	S	*	*			trans	-69.8	138.3	161.7	-90.1	131.9	0	0	0	109.5	T1015	T1015-L1017 PolarHBondContact O-N 2.97Å
1018	P	28.8	Very low	27.4	Very low	111 Å²	111	151.5 Å²	151.5	72%	0.721	81%	0.811	S	S	*	*			trans	-78.5	130.1	-172.3	29.2	-31.7	0	0	0	112.9	D1020	P1018-D1020 PolarHBondContact O-N 3.23Å; P1018-D1020 VanDerWaalsContact O-N 3.14Å
1019	N	28.3	Very low	27.2	Very low	158 Å²	158	152.6 Å²	152.6	85%	0.845	81%	0.814	S	S	*	*			trans	-80.5	47.8	-174.4	-90.8	-15.7	0	0	0	115
1020	D	28.5	Very low	27	Very low	147 Å²	147	150 Å²	150	79%	0.786	81%	0.81	S	S	*	*			trans	-104.1	25.3	-172.5	-83.1	-17.6	0	0	0	116.5	P1018	P1018-D1020 PolarHBondContact O-N 3.23Å; P1018-D1020 VanDerWaalsContact O-N 3.14Å
1021	L	28.6	Very low	26.8	Very low	174 Å²	174	147.9 Å²	147.9	91%	0.911	81%	0.809	S	S	*	*			trans	-128.6	12.5	176.8	-78.9	166.5	0	0	0	116.4	S1023	L1021-S1023 PolarHBondContact O-N 3.31Å; L1021-S1023 VanDerWaalsContact C-N 3.34Å
1022	A	28.7	Very low	26.7	Very low	101 Å²	101	145 Å²	145	84%	0.835	80%	0.803	S	S	*	*			trans	-91	33.2	179.7	0	0	0	0	0	114.8
1023	S	28.1	Very low	26.5	Very low	99 Å²	99	145.6 Å²	145.6	69%	0.692	81%	0.809	S	S	*	*			trans	-135.5	62.3	177.3	60.2	0	0	0	0	113	L1021	L1021-S1023 PolarHBondContact O-N 3.31Å; L1021-S1023 VanDerWaalsContact C-N 3.34Å
1024	N	25.7	Very low	26.3	Very low	162 Å²	162	145.7 Å²	145.7	87%	0.866	81%	0.809	S	S	*	*			trans	-156.2	27.9	158.9	-96.3	-26	0	0	0	114.3	K1026	N1024-K1026 VanDerWaalsContact C-N 3.32Å; N1024-K1026 PolarHBondContact O-N 3.31Å; N1024-K1026 VanDerWaalsContact O-N 3.1Å
1025	E	25.4	Very low	26.3	Very low	194 Å²	194	150.2 Å²	150.2	91%	0.907	83%	0.825	S	S	*	*			trans	-82.8	76.3	167.8	-71.6	-176	174.8	0	0	110.4
1026	K	25.2	Very low	26.2	Very low	186 Å²	186	151.6 Å²	151.6	81%	0.809	83%	0.829	S	S	*	*			trans	-143.3	47.6	169.1	-100.5	-165.5	-176.7	179.9	0	112.4	N1024	N1024-K1026 VanDerWaalsContact C-N 3.32Å; N1024-K1026 PolarHBondContact O-N 3.31Å; N1024-K1026 VanDerWaalsContact O-N 3.1Å
1027	Y	26	Very low	26.2	Very low	235 Å²	235	153.3 Å²	153.3	92%	0.922	83%	0.829	S	S	*	*			trans	-141.8	78	158.5	-81.1	-79.1	0	0	0	108.6	A1029	Y1027-A1029 VanDerWaalsContact C-N 3.33Å; Y1027-A1029 PolarHBondContact O-N 2.88Å
1028	I	24.8	Very low	26.2	Very low	160 Å²	160	153.3 Å²	153.3	82%	0.821	83%	0.83	S	S	*	*			trans	-66.3	100.2	162.2	-63.9	172.4	0	0	0	105.4	N1030	I1028-N1030 PolarHBondContact O-N 2.95Å
1029	A	25.5	Very low	26	Very low	84 Å²	84	155.8 Å²	155.8	69%	0.694	84%	0.837	S	S	*	*			trans	-64.7	118.4	168.4	0	0	0	0	0	107.7	Y1027 S1031	Y1027-A1029 VanDerWaalsContact C-N 3.33Å; Y1027-A1029 PolarHBondContact O-N 2.88Å; A1029-S1031 VanDerWaalsContact C-N 3.25Å; A1029-S1031 PolarHBondContact O-N 2.98Å
1030	N	23.2	Very low	25.9	Very low	151 Å²	151	155.6 Å²	155.6	81%	0.807	84%	0.836	S	S	*	*			trans	-59.6	87.6	168.3	-77.2	-29.5	0	0	0	109	I1028 T1032	I1028-N1030 PolarHBondContact O-N 2.95Å; N1030-T1032 VanDerWaalsContact C-N 3.32Å; N1030-T1032 PolarHBondContact O-N 2.97Å
1031	S	25.1	Very low	25.7	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	84%	0.84	S	S	*	*			trans	-72.3	93.8	163.7	50.8	0	0	0	0	107.4	A1029 Q1033	A1029-S1031 VanDerWaalsContact C-N 3.25Å; A1029-S1031 PolarHBondContact O-N 2.98Å; S1031-Q1033 PolarHBondContact O-N 3.05Å; S1031-Q1033 VanDerWaalsContact O-N 3.07Å
1032	T	26.2	Very low	25.5	Very low	112 Å²	112	154.9 Å²	154.9	69%	0.687	84%	0.835	S	S	*	*			trans	-59.8	110.4	164.3	29.5	0	0	0	0	107.3	N1030 T1034	N1030-T1032 VanDerWaalsContact C-N 3.32Å; N1030-T1032 PolarHBondContact O-N 2.97Å; T1032-T1034 PolarHBondContact O-N 3.12Å; T1032-T1034 PolarHBondContact O-OG1 3.33Å
1033	Q	23.3	Very low	25.2	Very low	201 Å²	201	159.1 Å²	159.1	94%	0.939	84%	0.835	S	S	*	*			trans	-47.5	107.3	169	-80.1	177.6	-28.7	0	0	108.4	S1031	S1031-Q1033 PolarHBondContact O-N 3.05Å; S1031-Q1033 VanDerWaalsContact O-N 3.07Å
1034	T	23.7	Very low	25	Very low	127 Å²	127	164.1 Å²	164.1	78%	0.779	85%	0.846	S	S	*	*			trans	-119.9	97.7	176.6	31.1	0	0	0	0	106.4	T1032	T1032-T1034 PolarHBondContact O-N 3.12Å; T1032-T1034 PolarHBondContact O-OG1 3.33Å
1035	E	25.7	Very low	24.9	Very low	246 Å²	246	164.3 Å²	164.3	100%	1.15	85%	0.845	S	S	*	*			trans	-81.7	0	149.4	-79.2	-172.1	155.2	0	0	109.4

Retrieved 1,035 of 1,035 residues in 272.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).