A0A077ZKA1_TRITR Loading...

Kringle domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKA1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 920 aa.

						>A0A077ZKA1_TRITR|A0A077ZKA1
MLQIYAAPLCVLLLSFNLNLVSSANKDDHSVKKNRLPYPYTGGRTSHEFGDCPKPLHKNYKGRSVFTGENFDSYGWRNETDAETVDTSTNEKLDLKFRQQLEPLRCLERKEGIGAEEDYVDNSCVPYVFRKYVGWFLSLRNVHKYSGDPFTKDCTENVCAVVNEQYPTCPTRGGRSTVPCVHFCEHYHWICDPNKLFLNRKHNEYKHFLVKDPTSPRGIYNKESTSTTYPWGDSPVTRMTIGSGHTRGSVYLAQCTEEQYRNQAPSFHVGCISEDAMRIFLYYDSYYPVVTYKNTTAYGHNCKNPPNLTDVCNFMPKGKEIPSCHTDGTNIEPCFPVCRKHDPQLNHIRHLGHRTRKELETIESKASQQGVPPFILFPSRRQEEGYDVYCGTKMQYAHLFKQLPGNLECFNEYPIGFGKLNTTRPYHNLLHLEGLTYVDTTDKSPCGPWWYYKNGTDLKHEPCFNTCVEVQEDPHVACRPGPILQWSDNNIFQLEPRSKTRTGRQCVEEDESRSYIGPMCYINATTREPCYYACEHRNLFCIDRDHMLNIEYNGPKNKTIHGKDCLSWTYVMSLAMNGEMNYQWKWIFQDTRASALPQLFSKPMEHNQCLNILTLIKDQASYYKFPGIDPIILKGPICFVNEQDFIVPQPCFLTCEDMSVEENNCIENATIQTAVYTGFRNRTKTGKPCKRWDERVLDYKVPWEITGPLHNYCRNYGEYEHGPWCYVFDKGVEREACFDVCPKGKTLVRHKEADHNWHYDTCTEHSDCCQDAETIIEGPKKEEKYSEILSELDKIWPDPSKEIAEIMLRQDEDEEKENKLIMYFGIYAVSHLFVCICWIWWINRGPDPEKERQNLEVEEEKERLKEVAESLAKKTKKPRRRPSGSFSDSGKSKSREWFSRLRRSRPSAPEPPQSVGQTNF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	33.1	Very low	221 Å²	221	147.7 Å²	147.7	100%	1.089	82%	0.819	S	S	*	*				0	106.5	0	-57.4	-52.5	-149.7	0	0	106.2
2	L	28.2	Very low	33	Very low	153 Å²	153	150.2 Å²	150.2	80%	0.801	83%	0.828	S	S	*	*				60.9	130.3	71.3	-86.5	108.8	0	0	0	113.5
3	Q	28.9	Very low	32.7	Very low	171 Å²	171	149.1 Å²	149.1	80%	0.799	82%	0.819	S	S	*	*			trans	73.8	138.6	171.4	-59.7	179.2	-6.5	0	0	115.6
4	I	36.2	Very low	33.1	Very low	133 Å²	133	149.1 Å²	149.1	68%	0.682	82%	0.817	S	S	*	*			cis	-153.3	149.5	-6.4	-123.4	162.7	0	0	0	111.2	A6	I4-A6 HydrophobicContact CG2-CB 3.77Å
5	Y	35.1	Very low	33	Very low	240 Å²	240	144.8 Å²	144.8	94%	0.941	80%	0.801	S	S	*	*			trans	-78.2	118.4	162.6	-91.9	-108.9	0	0	0	109.1
6	A	33.6	Very low	32.9	Very low	83 Å²	83	147.2 Å²	147.2	69%	0.686	80%	0.801	S	S	*	*			trans	-157.9	112.1	172.1	0	0	0	0	0	116.3	I4	I4-A6 HydrophobicContact CG2-CB 3.77Å
7	A	33.3	Very low	33.1	Very low	102 Å²	102	145.4 Å²	145.4	84%	0.843	79%	0.791	S	S	*	*			trans	69.8	156.5	138.8	0	0	0	0	0	122
8	P	41.9	Very low	33.2	Very low	113 Å²	113	145.1 Å²	145.1	73%	0.734	79%	0.788	S	S	*	*			trans	-133.7	-157.7	-161.3	40.6	-18.8	0	0	0	114.3
9	L	28.5	Very low	33.1	Very low	162 Å²	162	144 Å²	144	85%	0.848	78%	0.781	S	S	*	*			trans	68.4	79.8	158	-80.3	164.7	0	0	0	118.8
10	C	27.4	Very low	32.8	Very low	128 Å²	128	144 Å²	144	87%	0.865	78%	0.78	S	S	*	*			trans	-167.3	140.1	145.9	-98.9	0	0	0	0	108.1
11	V	38.6	Very low	32.6	Very low	119 Å²	119	143.1 Å²	143.1	72%	0.721	78%	0.779	S	S	*	*			cis	-133	126.6	5.2	176.1	0	0	0	0	109.8	L13	V11-L13 HydrophobicContact CG1-CB 3.82Å
12	L	32.3	Very low	32.3	Very low	177 Å²	177	137.4 Å²	137.4	93%	0.927	76%	0.761	S	S	*	*			trans	-104.5	93.5	162.9	-140.9	-176.8	0	0	0	107
13	L	29.7	Very low	32.3	Very low	136 Å²	136	135.2 Å²	135.2	71%	0.712	76%	0.758	S	S	*	*			trans	-169.5	151.5	176.7	-111.8	168.5	0	0	0	111.3	V11	V11-L13 HydrophobicContact CG1-CB 3.82Å
14	L	37.6	Very low	32.4	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	76%	0.758	S	S	*	*			trans	64.3	78	171.9	-56.1	175.7	0	0	0	115.4
15	S	31.6	Very low	32.1	Very low	84 Å²	84	132.1 Å²	132.1	59%	0.587	76%	0.762	S	S	*	*				84.2	127.3	53.6	83.8	0	0	0	0	114.9
16	F	31.2	Very low	31.9	Very low	183 Å²	183	129 Å²	129	80%	0.803	75%	0.753	S	S	*	*			trans	64	134.5	147	-73.2	-132.2	0	0	0	115.5
17	N	36.1	Very low	31.7	Very low	116 Å²	116	130.9 Å²	130.9	62%	0.62	75%	0.752	S	S	*	*			cis	-174.8	150.6	40	-125.5	-17.9	0	0	0	111
18	L	36.4	Very low	31.5	Very low	140 Å²	140	131.9 Å²	131.9	73%	0.733	74%	0.743	S	S	*	*			trans	59.1	162	147.1	-58.3	170.5	0	0	0	119.9
19	N	30.2	Very low	31	Very low	125 Å²	125	134.1 Å²	134.1	67%	0.668	74%	0.743	S	S	*	*			cis	166.5	150.3	-39	-121.6	-25.5	0	0	0	107
20	L	28.1	Very low	30.8	Very low	143 Å²	143	130.8 Å²	130.8	75%	0.749	73%	0.734	S	S	*	*			trans	68.8	134.3	147.5	-66.4	165.2	0	0	0	122.1
21	V	28.6	Very low	30.7	Very low	127 Å²	127	129.8 Å²	129.8	77%	0.77	72%	0.723	S	S	*	*			trans	73.6	141.6	135.2	165.2	0	0	0	0	119
22	S	25.6	Very low	30.1	Very low	101 Å²	101	132.8 Å²	132.8	71%	0.706	73%	0.727	S	S	*	*			cis	-164	171.3	-27.8	67.4	0	0	0	0	111
23	S	27.3	Very low	29.7	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	72%	0.722	S	S	*	*			trans	-28.1	136.7	162.3	-180	0	0	0	0	117.3
24	A	31.5	Very low	29.5	Very low	96 Å²	96	133.6 Å²	133.6	79%	0.793	72%	0.724	S	S	*	*			trans	-150.1	132.6	151.7	0	0	0	0	0	110.6
25	N	29.6	Very low	28.9	Very low	143 Å²	143	137.6 Å²	137.6	77%	0.765	73%	0.728	S	S	*	*			trans	-77.5	158.3	177.6	-66.7	-39	0	0	0	112
26	K	31.7	Very low	28.8	Very low	174 Å²	174	141 Å²	141	76%	0.757	74%	0.739	S	S	*	*				171.6	141.6	102.5	-90.8	-170	164.1	-151.1	0	114.5
27	D	29.1	Very low	28.5	Very low	123 Å²	123	137.8 Å²	137.8	66%	0.658	74%	0.737	S	S	*	*				40.1	144.6	128.1	-33.3	-24.9	0	0	0	119
28	D	28.9	Very low	28.2	Very low	124 Å²	124	142.6 Å²	142.6	66%	0.663	75%	0.748	S	S	*	*			cis	-163.6	168.8	15.4	-151.1	-19.5	0	0	0	112.2
29	H	31.2	Very low	27.8	Very low	159 Å²	159	141 Å²	141	74%	0.736	75%	0.745	S	S	*	*			trans	60.7	160.2	158.8	-64.8	3.2	0	0	0	119.6
30	S	24.8	Very low	27.5	Very low	93 Å²	93	145.6 Å²	145.6	65%	0.65	76%	0.755	S	S	*	*			cis	-171	157.7	-39.6	70.8	0	0	0	0	110.4
31	V	25.1	Very low	27.2	Very low	107 Å²	107	145 Å²	145	65%	0.648	76%	0.758	S	S	*	*			trans	75.8	127.3	140.1	165.1	0	0	0	0	122.8
32	K	24.9	Very low	26.9	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.787	76%	0.761	S	S	*	*			trans	69.8	120.4	158.7	-73	156	-158.4	158	0	118
33	K	25.1	Very low	26.7	Very low	189 Å²	189	142 Å²	142	82%	0.822	77%	0.768	S	S	*	*				71.3	111	66.8	-78	-173.7	173.2	178.6	0	114.8
34	N	25.7	Very low	26.5	Very low	141 Å²	141	146.1 Å²	146.1	75%	0.754	77%	0.768	S	S	*	*			trans	175.9	121.8	132.5	-88.4	-25	0	0	0	108.4
35	R	24.2	Very low	26.2	Very low	234 Å²	234	148.3 Å²	148.3	88%	0.883	77%	0.771	S	S	*	*				91.8	138.1	72.3	-83.1	-175.1	171.2	-174.8	-3.3	113
36	L	29.8	Very low	25.9	Very low	156 Å²	156	145.8 Å²	145.8	82%	0.817	77%	0.765	S	S	*	*			trans	-60.3	161.8	-177	-65.5	155.6	0	0	0	113.3
37	P	25.4	Very low	25.6	Very low	115 Å²	115	145 Å²	145	75%	0.747	76%	0.764	S	S	*	*				-143	146.6	100.7	37.9	-24.9	0	0	0	116.2
38	Y	28.8	Very low	25.5	Very low	217 Å²	217	146.5 Å²	146.5	85%	0.851	77%	0.767	S	S	*	*			trans	-75	153	148.4	-88.2	-90.9	0	0	0	109.1
39	P	28.2	Very low	25.3	Very low	106 Å²	106	151 Å²	151	69%	0.688	78%	0.781	S	S	*	*			trans	-145	120.1	133.2	32.4	-14.5	0	0	0	116.6
40	Y	23.2	Very low	25	Very low	222 Å²	222	147.1 Å²	147.1	87%	0.871	78%	0.783	S	S	*	*			trans	70.7	152.4	130.1	-82.7	-87.5	0	0	0	124.8
41	T	22.8	Very low	25.1	Very low	132 Å²	132	150.2 Å²	150.2	81%	0.81	79%	0.792	S	S	*	*			trans	-85.6	151.2	179.9	50.4	0	0	0	0	113.4
42	G	22.5	Very low	24.9	Very low	80 Å²	80	151.4 Å²	151.4	83%	0.825	80%	0.804	S	S	*	*			trans	-131.5	144.9	171.9	0	0	0	0	0	112.8
43	G	21.4	Very low	25.1	Very low	84 Å²	84	148.1 Å²	148.1	87%	0.866	80%	0.801	S	S	*	*			trans	-81.2	164.5	-168.6	0	0	0	0	0	116.8
44	R	23.5	Very low	25.3	Very low	193 Å²	193	148.6 Å²	148.6	73%	0.728	80%	0.803	S	S	*	*			trans	-85.4	140.8	179.4	-179.7	-164.8	-161.6	175.3	9.5	112
45	T	24.4	Very low	25.4	Very low	142 Å²	142	147 Å²	147	87%	0.871	80%	0.801	S	S	*	*			trans	-132.2	137.6	156.8	49.1	0	0	0	0	110.4
46	S	23.3	Very low	25.5	Very low	90 Å²	90	142.1 Å²	142.1	63%	0.629	79%	0.791	S	S	*	*			trans	-121.1	132.7	-177.4	51.6	0	0	0	0	111.2
47	H	26	Very low	25.3	Very low	158 Å²	158	143.2 Å²	143.2	73%	0.731	79%	0.792	S	S	*	*			trans	-138.6	116.3	156.7	-86.4	-88.8	0	0	0	105.9
48	E	26.8	Very low	25.5	Very low	154 Å²	154	145.3 Å²	145.3	72%	0.72	79%	0.789	S	S	*	*				73.5	102.2	102.4	-69.5	170.5	170.1	0	0	111.9
49	F	23.8	Very low	25.5	Very low	219 Å²	219	138.7 Å²	138.7	96%	0.961	77%	0.769	S	S	*	*				58	102.4	85.3	-81.8	-77.1	0	0	0	112.4
50	G	25.2	Very low	25.5	Very low	76 Å²	76	139.1 Å²	139.1	78%	0.784	76%	0.757	S	S	*	*			trans	178	116	177.2	0	0	0	0	0	113.2
51	D	26.8	Very low	26.1	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	74%	0.743	S	S	*	*			trans	-43.7	146	-173.6	-54.1	-54.5	0	0	0	118.6	P53	D51-P53 WeakPolarHBondContact O-CD 3.19Å
52	C	21.4	Very low	26.8	Very low	133 Å²	133	129.7 Å²	129.7	90%	0.899	72%	0.716	S	S	*	*			trans	-75.5	130.9	165.6	-74.4	0	0	0	0	111.9
53	P	29.3	Very low	27.4	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	71%	0.709	S	S	*	*			trans	-143.1	126.1	133.2	33	-17.1	0	0	0	115.8	D51	D51-P53 WeakPolarHBondContact O-CD 3.19Å
54	K	29	Very low	28.1	Very low	200 Å²	200	131.8 Å²	131.8	87%	0.87	68%	0.677	S	S	*	*			trans	73.4	154.1	153.6	-66.2	-178	178.8	179.5	0	118.1
55	P	26.7	Very low	28.4	Very low	108 Å²	108	129.3 Å²	129.3	70%	0.701	68%	0.684	S	S	*	*			trans	-91.5	140.7	-156.3	34.5	-34.9	0	0	0	113.9
56	L	27.2	Very low	28.6	Very low	130 Å²	130	132.4 Å²	132.4	68%	0.681	69%	0.685	S	S	*	*			trans	-130.4	120.4	169.4	-82	166	0	0	0	111.3	K58 R105	L56-K58 PolarHBondContact O-N 3.04Å; L56-R105 PolarHBondContact O-NH1 2.92Å
57	H	25.4	Very low	29.3	Very low	180 Å²	180	132.1 Å²	132.1	83%	0.833	68%	0.68	S	S	*	*			trans	-64.6	127.1	166.4	-62.8	-98	0	0	0	109.1
58	K	29.2	Very low	29.7	Very low	158 Å²	158	126.2 Å²	126.2	69%	0.687	66%	0.662	S	S	*	*			trans	-145	124.4	166.1	-72.3	-166.3	176	180	0	108.8	L56	L56-K58 PolarHBondContact O-N 3.04Å
59	N	28.9	Very low	30.1	Very low	79 Å²	79	125.1 Å²	125.1	42%	0.422	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-72.8	153.4	-175.4	-42.5	-15	0	0	0	110.3	Y74	N59-Y74 WeakPolarHBondContact ND2-CE2 3.46Å; N59-Y74 PolarHBondContact ND2-OH 2.95Å
60	Y	29	Very low	30.8	Very low	114 Å²	114	120.4 Å²	120.4	45%	0.447	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-97.9	124.1	171.6	-71.6	-77.6	0	0	0	110.7	P103	Y60-P103 HydrophobicContact CE2-CG 3.75Å; Y60-P103 WeakPolarHBondContact OH-CG 3.45Å
61	K	35.5	Very low	31.3	Very low	133 Å²	133	122.4 Å²	122.4	58%	0.578	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-92.1	117.8	160.8	-82.7	-178.8	179.8	-83.9	0	108.7	F71 D72	K61-F71 WeakPolarHBondContact CA-O 3.37Å; K61-D72 WeakPolarHBondContact CE-OD1 3.23Å; K61-D72 WeakPolarHBondContact CG-OD1 3.44Å; K61-D72 IonicContact NZ-OD1 3.84Å; K61-D72 PolarHBondContact NZ-OD1 2.87Å; K61-D72 IonicContact NZ-OD2 3.2Å; K61-D72 PolarHBondContact NZ-OD2 3.12Å
62	G	37.2	Very low	31.7	Very low	23 Å²	23	118.8 Å²	118.8	24%	0.237	61%	0.61	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	152.5	178.9	0	0	0	0	0	111.8	N70 F71	G62-N70 CarbonylContact O-C 3.4Å; G62-N70 VanDerWaalsContact O-CA 3.27Å; G62-N70 WeakPolarHBondContact O-CA 3.35Å; G62-F71 PolarHBondContact N-O 3.23Å; G62-F71 WeakPolarHBondContact O-CD1 2.99Å; G62-F71 PolarHBondContact O-N 2.95Å
63	R	35.7	Very low	32.3	Very low	179 Å²	179	114.5 Å²	114.5	68%	0.675	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.2	123.8	167.5	-167	171.6	-166.8	-171.6	3.3	109.6	V65 G68 E69 N70	R63-V65 PolarHBondContact O-N 2.86Å; R63-G68 VanDerWaalsContact CZ-O 3.25Å; R63-G68 PolarHBondContact NE-O 2.88Å; R63-G68 PolarHBondContact NH2-O 2.82Å; R63-E69 CarbonylContact C-O 3.54Å; R63-E69 WeakPolarHBondContact CA-O 2.95Å; R63-N70 WeakPolarHBondContact CD-OD1 3.42Å; R63-N70 WeakPolarHBondContact CG-OD1 3.36Å
64	S	36.1	Very low	32.2	Very low	29 Å²	29	118.6 Å²	118.6	20%	0.203	58%	0.584	C	S	.	*			trans	-65.4	119.5	-179.1	174.1	0	0	0	0	110.9	F66 T67 G68 E69	S64-F66 PolarHBondContact O-N 3.44Å; S64-F66 PolarHBondContact OG-N 2.89Å; S64-T67 WeakPolarHBondContact CB-OG1 3.44Å; S64-T67 PolarHBondContact OG-N 2.91Å; S64-T67 PolarHBondContact OG-OG1 3.01Å; S64-G68 VanDerWaalsContact O-CA 3.3Å; S64-G68 WeakPolarHBondContact O-CA 3.42Å; S64-G68 PolarHBondContact O-N 3.45Å; S64-E69 PolarHBondContact N-O 2.02Å
65	V	30	Very low	32.2	Very low	142 Å²	142	112.5 Å²	112.5	86%	0.861	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-21.7	174.4	-177.2	0	0	0	0	111.5	R63	R63-V65 PolarHBondContact O-N 2.86Å
66	F	28.3	Very low	32	Very low	206 Å²	206	118 Å²	118	90%	0.904	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-20.1	-179	-70.9	-85.3	0	0	0	114.6	S64	S64-F66 PolarHBondContact O-N 3.44Å; S64-F66 PolarHBondContact OG-N 2.89Å
67	T	38.4	Very low	32	Very low	84 Å²	84	123.2 Å²	123.2	52%	0.515	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.4	-11.9	-179.9	70.1	0	0	0	0	114.6	S64 E69	S64-T67 WeakPolarHBondContact CB-OG1 3.44Å; S64-T67 PolarHBondContact OG-N 2.91Å; S64-T67 PolarHBondContact OG-OG1 3.01Å; T67-E69 VanDerWaalsContact CB-OE2 3.3Å; T67-E69 WeakPolarHBondContact CB-OE2 3.29Å; T67-E69 PolarHBondContact O-N 2.67Å; T67-E69 PolarHBondContact OG1-OE2 2.88Å
68	G	34.9	Very low	32	Very low	35 Å²	35	120.4 Å²	120.4	36%	0.361	59%	0.586	S	S	.	*			trans	74	2.6	-178.7	0	0	0	0	0	115	R63 S64	R63-G68 VanDerWaalsContact CZ-O 3.25Å; R63-G68 PolarHBondContact NE-O 2.88Å; R63-G68 PolarHBondContact NH2-O 2.82Å; S64-G68 VanDerWaalsContact O-CA 3.3Å; S64-G68 WeakPolarHBondContact O-CA 3.42Å; S64-G68 PolarHBondContact O-N 3.45Å
69	E	33.6	Very low	31.9	Very low	130 Å²	130	120.5 Å²	120.5	61%	0.607	59%	0.589	S	S	*	*			trans	-93.2	155.7	-177	-63.6	165.1	129.3	0	0	112.5	R63 S64 T67	R63-E69 CarbonylContact C-O 3.54Å; R63-E69 WeakPolarHBondContact CA-O 2.95Å; S64-E69 PolarHBondContact N-O 2.02Å; T67-E69 VanDerWaalsContact CB-OE2 3.3Å; T67-E69 WeakPolarHBondContact CB-OE2 3.29Å; T67-E69 PolarHBondContact O-N 2.67Å; T67-E69 PolarHBondContact OG1-OE2 2.88Å
70	N	39.9	Very low	31.7	Very low	121 Å²	121	122.8 Å²	122.8	65%	0.647	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.1	148.4	175.4	-58.5	-36.3	0	0	0	110.7	G62 R63	G62-N70 CarbonylContact O-C 3.4Å; G62-N70 VanDerWaalsContact O-CA 3.27Å; G62-N70 WeakPolarHBondContact O-CA 3.35Å; R63-N70 WeakPolarHBondContact CD-OD1 3.42Å; R63-N70 WeakPolarHBondContact CG-OD1 3.36Å
71	F	35.9	Very low	31.8	Very low	117 Å²	117	124.8 Å²	124.8	51%	0.513	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.8	156	175.5	65.1	-91.6	0	0	0	113.5	K61 G62	K61-F71 WeakPolarHBondContact CA-O 3.37Å; G62-F71 PolarHBondContact N-O 3.23Å; G62-F71 WeakPolarHBondContact O-CD1 2.99Å; G62-F71 PolarHBondContact O-N 2.95Å
72	D	33.9	Very low	31.4	Very low	83 Å²	83	122.2 Å²	122.2	44%	0.444	63%	0.628	S	S	.	*			trans	-124.8	153.2	173.3	-74.6	-88.9	0	0	0	109.2	K61	K61-D72 WeakPolarHBondContact CE-OD1 3.23Å; K61-D72 WeakPolarHBondContact CG-OD1 3.44Å; K61-D72 IonicContact NZ-OD1 3.84Å; K61-D72 PolarHBondContact NZ-OD1 2.87Å; K61-D72 IonicContact NZ-OD2 3.2Å; K61-D72 PolarHBondContact NZ-OD2 3.12Å
73	S	33.8	Very low	30.9	Very low	42 Å²	42	129.8 Å²	129.8	29%	0.294	66%	0.657	S	S	.	*			trans	-132.6	149.1	176.7	60	0	0	0	0	114	E102	S73-E102 PolarHBondContact OG-OE1 2.03Å
74	Y	28.5	Very low	30.6	Very low	198 Å²	198	127.1 Å²	127.1	78%	0.776	66%	0.661	S	S	*	*			trans	-144	166	175.5	-94.9	-83.2	0	0	0	110.7	N59	N59-Y74 WeakPolarHBondContact ND2-CE2 3.46Å; N59-Y74 PolarHBondContact ND2-OH 2.95Å
75	G	27.5	Very low	30.2	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	69%	0.688	S	S	*	*			trans	-102.7	-173.8	-156.6	0	0	0	0	0	120.2
76	W	23.5	Very low	30.1	Very low	224 Å²	224	131.3 Å²	131.3	85%	0.848	68%	0.681	S	S	*	*			trans	-88.9	170.7	-162.4	-87.1	70.7	0	0	0	117.5
77	R	26.4	Very low	30.1	Very low	238 Å²	238	127 Å²	127	90%	0.898	67%	0.671	S	S	*	*			trans	-142.9	167.8	154.3	-99.2	-171.3	-172.2	-139.5	0.6	112.1
78	N	25.8	Very low	29.4	Very low	122 Å²	122	128.7 Å²	128.7	65%	0.652	69%	0.687	S	S	*	*			trans	-109.5	149.3	-161.2	-94.1	30.8	0	0	0	115.6
79	E	26.3	Very low	29.1	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	70%	0.702	S	S	*	*			trans	65.3	162.2	133	-65.7	170.8	135	0	0	123.3
80	T	26.5	Very low	28.8	Very low	126 Å²	126	132.2 Å²	132.2	77%	0.773	71%	0.706	S	S	*	*			trans	76.5	145.6	167	37.4	0	0	0	0	119.9
81	D	30.7	Very low	28.1	Very low	156 Å²	156	133 Å²	133	83%	0.834	71%	0.705	S	S	*	*			trans	62.6	151.6	171.3	-50.6	-21.1	0	0	0	118.7
82	A	26.9	Very low	27.8	Very low	79 Å²	79	135 Å²	135	65%	0.653	71%	0.714	S	S	*	*			cis	-172.6	150.1	-34.7	0	0	0	0	0	108
83	E	27.2	Very low	27.5	Very low	182 Å²	182	137 Å²	137	85%	0.85	72%	0.724	S	S	*	*			trans	61.8	158	156.8	-66	-173	160.9	0	0	122.6
84	T	27.9	Very low	27.1	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	74%	0.744	S	S	*	*			trans	73.9	102.2	158.4	48.1	0	0	0	0	123.5
85	V	27.6	Very low	27	Very low	128 Å²	128	137.7 Å²	137.7	78%	0.776	74%	0.737	S	S	*	*				79.5	125.5	115.8	173.5	0	0	0	0	121.4
86	D	28.2	Very low	27	Very low	130 Å²	130	140.3 Å²	140.3	70%	0.695	73%	0.728	S	S	*	*			trans	43.3	115.6	155.8	-88.6	-62.9	0	0	0	124.7
87	T	27.8	Very low	27.1	Very low	115 Å²	115	137.4 Å²	137.4	71%	0.706	72%	0.722	S	S	*	*				34.7	145.4	124.2	63.9	0	0	0	0	122.4
88	S	24.5	Very low	27	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	72%	0.717	S	S	*	*			trans	103.2	20.1	163	79.4	0	0	0	0	120.9
89	T	28	Very low	26.9	Very low	112 Å²	112	138.6 Å²	138.6	69%	0.687	73%	0.725	S	S	*	*			trans	-105.1	100.5	160	41.1	0	0	0	0	112.9	E91	T89-E91 HydrophobicContact CG2-CG 4.24Å; T89-E91 PolarHBondContact O-N 3.18Å
90	N	27.1	Very low	26.9	Very low	128 Å²	128	137.7 Å²	137.7	68%	0.684	72%	0.72	S	S	*	*			trans	-79	62.2	166.4	-162	-0.7	0	0	0	109.6	F824	N90-F824 HydrophobicContact CB-CZ 4.48Å
91	E	26.1	Very low	26.7	Very low	137 Å²	137	140 Å²	140	64%	0.64	73%	0.727	S	S	*	*			trans	-93.7	122.9	-170.3	-86.4	-168.9	136.3	0	0	113.8	T89 L93	T89-E91 HydrophobicContact CG2-CG 4.24Å; T89-E91 PolarHBondContact O-N 3.18Å; E91-L93 PolarHBondContact O-N 3.34Å
92	K	29.7	Very low	26.4	Very low	159 Å²	159	137.9 Å²	137.9	69%	0.691	71%	0.712	S	S	*	*			trans	-52.8	104.3	165.2	-75.2	173.4	171.6	170.2	0	111.2
93	L	27.5	Very low	26.3	Very low	124 Å²	124	137.9 Å²	137.9	65%	0.649	71%	0.705	S	S	*	*			trans	-126.2	73.8	159.7	-81.8	176.4	0	0	0	111.9	E91 L95	E91-L93 PolarHBondContact O-N 3.34Å; L93-L95 HydrophobicContact CB-CB 4.3Å; L93-L95 HydrophobicContact CD1-CD1 4.26Å; L93-L95 HydrophobicContact CD2-CB 4.23Å; L93-L95 HydrophobicContact CD2-CD1 4.02Å; L93-L95 HydrophobicContact CD2-CG 3.99Å; L93-L95 PolarHBondContact O-N 3.46Å
94	D	26.2	Very low	26.2	Very low	135 Å²	135	135.8 Å²	135.8	72%	0.722	70%	0.7	S	S	*	*			trans	-59.5	78.4	138.1	172.1	22	0	0	0	108.3	K96	D94-K96 PolarHBondContact O-N 3.06Å; D94-K96 PolarHBondContact OD1-N 2.89Å
95	L	26.5	Very low	26.1	Very low	121 Å²	121	136.2 Å²	136.2	63%	0.634	69%	0.687	S	S	*	*			trans	-92.5	58.1	175	-135.7	175.7	0	0	0	110.1	L93	L93-L95 HydrophobicContact CB-CB 4.3Å; L93-L95 HydrophobicContact CD1-CD1 4.26Å; L93-L95 HydrophobicContact CD2-CB 4.23Å; L93-L95 HydrophobicContact CD2-CD1 4.02Å; L93-L95 HydrophobicContact CD2-CG 3.99Å; L93-L95 PolarHBondContact O-N 3.46Å
96	K	26.2	Very low	26	Very low	127 Å²	127	133.9 Å²	133.9	55%	0.552	68%	0.675	S	S	*	*			trans	53.2	92.8	137.8	-62.1	155.1	-171.1	163.9	0	114.1	D94 R98	D94-K96 PolarHBondContact O-N 3.06Å; D94-K96 PolarHBondContact OD1-N 2.89Å; K96-R98 HydrophobicContact CB-CB 4.08Å; K96-R98 HydrophobicContact CB-CG 4.11Å; K96-R98 PolarHBondContact O-N 3Å
97	F	26.4	Very low	25.9	Very low	163 Å²	163	133.9 Å²	133.9	72%	0.715	68%	0.675	S	S	*	*				6.4	38.3	102.5	-131.9	-89.2	0	0	0	119.7
98	R	23.7	Very low	26.3	Very low	210 Å²	210	136.6 Å²	136.6	79%	0.792	68%	0.68	S	S	*	*			trans	-131.9	35.8	-178.5	-84.8	-165.4	173.6	-162.5	-1	113.6	K96	K96-R98 HydrophobicContact CB-CB 4.08Å; K96-R98 HydrophobicContact CB-CG 4.11Å; K96-R98 PolarHBondContact O-N 3Å
99	Q	24.9	Very low	26.8	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.813	67%	0.672	S	S	*	*			trans	-130.6	37.6	157.5	-77	-165	-31.7	0	0	111.8
100	Q	24.7	Very low	27	Very low	141 Å²	141	141 Å²	141	66%	0.659	67%	0.669	S	S	*	*			trans	-80.8	140.9	151.2	-71.4	-175.5	-36.1	0	0	108.1
101	L	23.6	Very low	27.5	Very low	174 Å²	174	141.8 Å²	141.8	91%	0.911	67%	0.669	S	S	*	*			trans	73.7	62.1	173.7	-49	175.1	0	0	0	117.4
102	E	24.3	Very low	27.9	Very low	112 Å²	112	136.3 Å²	136.3	52%	0.523	65%	0.649	S	S	.	*			trans	-124.7	135.2	143.2	-103	-171.4	-173.9	0	0	110.1	S73 L104	S73-E102 PolarHBondContact OG-OE1 2.03Å; E102-L104 PolarHBondContact O-N 3.36Å
103	P	24.7	Very low	28.1	Very low	79 Å²	79	134.8 Å²	134.8	51%	0.513	65%	0.647	S	S	.	*			trans	-79.2	86.3	178	32.1	-33.4	0	0	0	109.7	Y60 R105	Y60-P103 HydrophobicContact CE2-CG 3.75Å; Y60-P103 WeakPolarHBondContact OH-CG 3.45Å; P103-R105 PolarHBondContact O-N 2.93Å
104	L	25.4	Very low	28.4	Very low	139 Å²	139	129.8 Å²	129.8	73%	0.728	63%	0.626	S	S	*	*			trans	-64	97.3	179.2	-71.4	177.2	0	0	0	111.1	E102	E102-L104 PolarHBondContact O-N 3.36Å
105	R	25.7	Very low	28.8	Very low	133 Å²	133	125.5 Å²	125.5	50%	0.502	61%	0.609	S	S	.	*			trans	-55.2	140.4	172.4	-57	175.7	-176.6	177.2	1.7	109.6	L56 P103 L107	L56-R105 PolarHBondContact O-NH1 2.92Å; P103-R105 PolarHBondContact O-N 2.93Å; R105-L107 PolarHBondContact O-N 3.19Å
106	C	24.6	Very low	29.2	Very low	78 Å²	78	127.6 Å²	127.6	53%	0.527	62%	0.615	S	S	.	*			trans	-59.2	105.4	169.4	-58.5	0	0	0	0	109.6	T155	C106-T155 HydrophobicContact CB-CG2 4.02Å
107	L	26.9	Very low	29.7	Very low	130 Å²	130	130 Å²	130	68%	0.681	63%	0.629	S	S	*	*			trans	-134.4	138.3	173.6	-84.3	171.2	0	0	0	109.7	R105	R105-L107 PolarHBondContact O-N 3.19Å
108	E	35.6	Very low	30.1	Very low	173 Å²	173	125.8 Å²	125.8	81%	0.808	61%	0.613	S	S	*	*	S	Bend	trans	69.2	126.7	173.6	-64.3	174.1	-168.8	0	0	116.6
109	R	35.9	Very low	30.6	Very low	179 Å²	179	121.4 Å²	121.4	68%	0.675	60%	0.598	S	S	*	*			trans	-62.9	148.3	176.8	-67.9	172.1	175	173	-3.4	109.9	T151 D153	R109-T151 HydrophobicContact CB-CG2 3.87Å; R109-T151 HydrophobicContact CG-CG2 4.42Å; R109-D153 IonicContact NE-OD2 3.85Å
110	K	32.4	Very low	31.2	Very low	146 Å²	146	117 Å²	117	64%	0.635	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.8	151.6	169.3	-64.3	-162.4	175.4	-167.1	0	111.3	K152	K110-K152 PolarHBondContact O-N 2.95Å
111	E	35.8	Very low	31.9	Very low	144 Å²	144	115.3 Å²	115.3	67%	0.673	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.7	140.3	176.3	-60.2	-172.5	147.1	0	0	109.1	F150 T151	E111-F150 WeakPolarHBondContact CA-O 3.41Å; E111-T151 HydrophobicContact CG-CG2 4.07Å; E111-T151 PolarHBondContact OE1-OG1 2.98Å
112	G	36.3	Very low	32.5	Very low	22 Å²	22	113.8 Å²	113.8	23%	0.227	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-136	166.2	175.1	0	0	0	0	0	111	P149 F150	G112-P149 CarbonylContact O-C 3.5Å; G112-P149 WeakPolarHBondContact O-CA 3.05Å; G112-F150 VanDerWaalsContact C-CE1 3.49Å; G112-F150 PolarHBondContact N-O 3.34Å; G112-F150 WeakPolarHBondContact O-CD1 3.23Å; G112-F150 PolarHBondContact O-N 3.06Å
113	I	33.8	Very low	32.8	Very low	126 Å²	126	110.6 Å²	110.6	65%	0.646	56%	0.561	S	S	*	*			trans	-121.2	136.2	173.5	-56.8	173.8	0	0	0	106.1
114	G	34	Very low	33.2	Very low	20 Å²	20	109.4 Å²	109.4	21%	0.206	55%	0.554	C	S	.	*			trans	-119	153.2	178.4	0	0	0	0	0	111.8
115	A	33.3	Very low	33.5	Very low	44 Å²	44	104.8 Å²	104.8	36%	0.364	53%	0.531	S	S	.	.			trans	-87.2	161.7	172	0	0	0	0	0	111	E117 D118	A115-E117 HydrophobicContact CB-CB 4.15Å; A115-E117 PolarHBondContact O-N 2.79Å; A115-D118 PolarHBondContact N-OD2 3.48Å; A115-D118 PolarHBondContact O-N 2.8Å
116	E	34.6	Very low	33.8	Very low	165 Å²	165	100.6 Å²	100.6	77%	0.771	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-64.2	-27.4	170.1	-167.2	165.9	-170.3	0	0	111.2	D118 Y119	E116-D118 VanDerWaalsContact C-N 3.28Å; E116-D118 PolarHBondContact O-N 3.01Å; E116-Y119 WeakPolarHBondContact O-CB 3.39Å; E116-Y119 PolarHBondContact O-N 3.05Å
117	E	37.8	Very low	34.3	Very low	179 Å²	179	101 Å²	101	84%	0.836	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-63.5	-24.5	174.1	-61.2	166.3	-108.2	0	0	113.9	A115 Y119	A115-E117 HydrophobicContact CB-CB 4.15Å; A115-E117 PolarHBondContact O-N 2.79Å; E117-Y119 PolarHBondContact O-N 2.95Å
118	D	33.3	Very low	34.4	Very low	73 Å²	73	98 Å²	98	39%	0.39	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-74.9	-8.4	178.2	-66.7	-52.5	0	0	0	112.8	A115 E116 V120	A115-D118 PolarHBondContact N-OD2 3.48Å; A115-D118 PolarHBondContact O-N 2.8Å; E116-D118 VanDerWaalsContact C-N 3.28Å; E116-D118 PolarHBondContact O-N 3.01Å; D118-V120 PolarHBondContact O-N 2.85Å; D118-V120 VanDerWaalsContact O-N 3.08Å
119	Y	36.1	Very low	34	Very low	118 Å²	118	96.3 Å²	96.3	46%	0.463	49%	0.49	S	S	.	.			trans	-81.3	88.3	-177.4	-169.6	-94.6	0	0	0	112.2	E116 E117	E116-Y119 WeakPolarHBondContact O-CB 3.39Å; E116-Y119 PolarHBondContact O-N 3.05Å; E117-Y119 PolarHBondContact O-N 2.95Å
120	V	36.9	Very low	33.7	Very low	81 Å²	81	99.6 Å²	99.6	49%	0.491	50%	0.502	S	S	.	.			trans	-119.4	123.8	164	-167.7	0	0	0	0	109.2	D118 S123 S138	D118-V120 PolarHBondContact O-N 2.85Å; D118-V120 VanDerWaalsContact O-N 3.08Å; V120-S123 WeakPolarHBondContact CB-OG 3.25Å; V120-S123 WeakPolarHBondContact CG1-OG 3.5Å; V120-S123 WeakPolarHBondContact O-CB 3.47Å; V120-S123 PolarHBondContact O-N 2.9Å; V120-S138 PolarHBondContact O-OG 3.44Å
121	D	38.2	Very low	33.5	Very low	107 Å²	107	100.1 Å²	100.1	57%	0.572	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	145.2	-177.8	-164.7	6	0	0	0	111.1	S123	D121-S123 PolarHBondContact O-N 3.1Å
122	N	36.6	Very low	33.2	Very low	142 Å²	142	101.1 Å²	101.1	76%	0.759	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	4.7	-170.4	-57.8	-82.7	0	0	0	116.5
123	S	30.3	Very low	32.9	Very low	44 Å²	44	103 Å²	103	31%	0.308	51%	0.51	S	S	.	.			trans	-83	153.5	-178	-69.7	0	0	0	0	113.8	V120 D121 S138	V120-S123 WeakPolarHBondContact CB-OG 3.25Å; V120-S123 WeakPolarHBondContact CG1-OG 3.5Å; V120-S123 WeakPolarHBondContact O-CB 3.47Å; V120-S123 PolarHBondContact O-N 2.9Å; D121-S123 PolarHBondContact O-N 3.1Å; S123-S138 PolarHBondContact O-N 3.42Å
124	C	33.5	Very low	32.8	Very low	54 Å²	54	97.5 Å²	97.5	37%	0.365	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.4	172.2	-65	0	0	0	0	108.8	P126 W135 F136	C124-P126 WeakPolarHBondContact O-CD 3.22Å; C124-W135 HydrophobicContact CB-CD2 4.4Å; C124-W135 HydrophobicContact CB-CE3 3.7Å; C124-W135 HydrophobicContact CB-CZ3 4.4Å; C124-W135 WeakPolarHBondContact O-CZ3 3.47Å; C124-F136 CarbonylContact C-O 3.49Å; C124-F136 VanDerWaalsContact CA-O 3.32Å; C124-F136 WeakPolarHBondContact CA-O 3.48Å
125	V	31.8	Very low	32.8	Very low	42 Å²	42	101.3 Å²	101.3	26%	0.255	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	122	178.7	-177.5	0	0	0	0	108.8	F136	V125-F136 HydrophobicContact CB-CB 4.35Å; V125-F136 PolarHBondContact N-O 3.03Å; V125-F136 PolarHBondContact O-N 2.83Å
126	P	32.6	Very low	32.9	Very low	45 Å²	45	101.7 Å²	101.7	29%	0.292	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.3	174.2	28.4	-31	0	0	0	110.6	C124 G134 W135	C124-P126 WeakPolarHBondContact O-CD 3.22Å; P126-G134 CarbonylContact C-O 3.59Å; P126-G134 WeakPolarHBondContact CA-O 3.49Å; P126-W135 HydrophobicContact CB-CE3 4.16Å; P126-W135 HydrophobicContact CB-CH2 3.86Å; P126-W135 HydrophobicContact CB-CZ3 3.54Å; P126-W135 HydrophobicContact CG-CZ3 4.11Å
127	Y	34.4	Very low	32.9	Very low	88 Å²	88	98.3 Å²	98.3	35%	0.345	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.8	164.6	74.1	-88.8	0	0	0	110.8	V133 G134 F136	Y127-V133 WeakPolarHBondContact O-CA 3.27Å; Y127-G134 PolarHBondContact N-O 2.86Å; Y127-G134 PolarHBondContact O-N 2.81Å; Y127-F136 HydrophobicContact CD1-CD1 4.31Å; Y127-F136 AromaticContact CD1-CD2 3.73Å; Y127-F136 HydrophobicContact CD1-CD2 3.73Å; Y127-F136 HydrophobicContact CD1-CE1 4Å; Y127-F136 AromaticContact CD1-CE2 3.37Å; Y127-F136 HydrophobicContact CD1-CE2 3.37Å; Y127-F136 HydrophobicContact CD1-CG 4.2Å; Y127-F136 AromaticContact CD1-CZ 3.52Å; Y127-F136 HydrophobicContact CD1-CZ 3.52Å; Y127-F136 HydrophobicContact CE1-CD1 4.2Å; Y127-F136 HydrophobicContact CE1-CD2 4.42Å; Y127-F136 AromaticContact CE1-CE1 3.77Å; Y127-F136 HydrophobicContact CE1-CE1 3.77Å; Y127-F136 HydrophobicContact CE1-CE2 4.01Å; Y127-F136 AromaticContact CE1-CZ 3.67Å; Y127-F136 HydrophobicContact CE1-CZ 3.67Å; Y127-F136 HydrophobicContact CG-CD2 4.43Å; Y127-F136 AromaticContact CG-CE2 3.78Å; Y127-F136 HydrophobicContact CG-CE2 3.78Å; Y127-F136 HydrophobicContact CG-CZ 4.05Å
128	V	28.7	Very low	32.9	Very low	67 Å²	67	91.4 Å²	91.4	41%	0.406	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127	-177.7	-175.9	0	0	0	0	110.1	Y132 V133 Y187	V128-Y132 CarbonylContact C-O 3.6Å; V128-Y132 WeakPolarHBondContact CA-O 3.28Å; V128-V133 HydrophobicContact CG2-CG2 4.41Å; V128-Y187 HydrophobicContact CG2-CD1 4.41Å; V128-Y187 HydrophobicContact CG2-CE1 3.79Å; V128-Y187 HydrophobicContact CG2-CE2 3.9Å
129	F	27.3	Very low	33.2	Very low	137 Å²	137	92 Å²	92	60%	0.601	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	92.6	175.2	-131.9	-91.4	0	0	0	109.9	K131 Y132	F129-K131 PolarHBondContact O-N 2.65Å; F129-Y132 PolarHBondContact N-O 3.01Å; F129-Y132 PolarHBondContact O-N 3.27Å
130	R	31.2	Very low	33.3	Very low	247 Å²	247	98 Å²	98	93%	0.932	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	-92	-171.4	-64.6	-178.2	173.2	-173.2	-2.7	113.4
131	K	27.3	Very low	33.6	Very low	158 Å²	158	100.1 Å²	100.1	69%	0.687	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	2.6	-178.6	-69.2	-171.1	176.3	-175.5	0	113.4	F129 W189	F129-K131 PolarHBondContact O-N 2.65Å; K131-W189 WeakPolarHBondContact O-CZ2 3.32Å
132	Y	29.6	Very low	33.7	Very low	165 Å²	165	100 Å²	100	65%	0.647	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	136.4	178.9	-61.8	-76.3	0	0	0	110.6	V128 F129	V128-Y132 CarbonylContact C-O 3.6Å; V128-Y132 WeakPolarHBondContact CA-O 3.28Å; F129-Y132 PolarHBondContact N-O 3.01Å; F129-Y132 PolarHBondContact O-N 3.27Å
133	V	29	Very low	34	Very low	60 Å²	60	101 Å²	101	36%	0.364	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.3	166.2	-174.3	0	0	0	0	106.9	Y127 V128 W135 Y187	Y127-V133 WeakPolarHBondContact O-CA 3.27Å; V128-V133 HydrophobicContact CG2-CG2 4.41Å; V133-W135 HydrophobicContact CG1-CZ2 4.49Å; V133-Y187 HydrophobicContact CG2-CD2 4.4Å
134	G	32.1	Very low	34.5	Very low	12 Å²	12	104.6 Å²	104.6	12%	0.124	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	169.3	178.6	0	0	0	0	0	112.1	P126 Y127	P126-G134 CarbonylContact C-O 3.59Å; P126-G134 WeakPolarHBondContact CA-O 3.49Å; Y127-G134 PolarHBondContact N-O 2.86Å; Y127-G134 PolarHBondContact O-N 2.81Å
135	W	34.5	Very low	34.5	Very low	99 Å²	99	111.1 Å²	111.1	38%	0.375	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.6	-174.6	-62.7	105.5	0	0	0	111.5	C124 P126 V133 F183	C124-W135 HydrophobicContact CB-CD2 4.4Å; C124-W135 HydrophobicContact CB-CE3 3.7Å; C124-W135 HydrophobicContact CB-CZ3 4.4Å; C124-W135 WeakPolarHBondContact O-CZ3 3.47Å; P126-W135 HydrophobicContact CB-CE3 4.16Å; P126-W135 HydrophobicContact CB-CH2 3.86Å; P126-W135 HydrophobicContact CB-CZ3 3.54Å; P126-W135 HydrophobicContact CG-CZ3 4.11Å; V133-W135 HydrophobicContact CG1-CZ2 4.49Å; W135-F183 HydrophobicContact CH2-CB 4.11Å; W135-F183 AromaticContact CH2-CD1 3.61Å; W135-F183 HydrophobicContact CH2-CD1 3.61Å; W135-F183 AromaticContact CH2-CD2 3.28Å; W135-F183 HydrophobicContact CH2-CD2 3.28Å; W135-F183 AromaticContact CH2-CE1 3.75Å; W135-F183 HydrophobicContact CH2-CE1 3.75Å; W135-F183 AromaticContact CH2-CE2 3.41Å; W135-F183 HydrophobicContact CH2-CE2 3.41Å; W135-F183 VanDerWaalsContact CH2-CE2 3.41Å; W135-F183 AromaticContact CH2-CG 3.37Å; W135-F183 HydrophobicContact CH2-CG 3.37Å; W135-F183 AromaticContact CH2-CZ 3.65Å; W135-F183 HydrophobicContact CH2-CZ 3.65Å; W135-F183 HydrophobicContact CZ2-CB 3.94Å; W135-F183 HydrophobicContact CZ2-CD1 4.27Å; W135-F183 AromaticContact CZ2-CD2 3.78Å; W135-F183 HydrophobicContact CZ2-CD2 3.78Å; W135-F183 HydrophobicContact CZ2-CE2 4.34Å; W135-F183 AromaticContact CZ2-CG 3.73Å; W135-F183 HydrophobicContact CZ2-CG 3.73Å; W135-F183 HydrophobicContact CZ3-CD2 4.13Å; W135-F183 HydrophobicContact CZ3-CE1 4.4Å; W135-F183 AromaticContact CZ3-CE2 3.84Å; W135-F183 HydrophobicContact CZ3-CE2 3.84Å; W135-F183 AromaticContact CZ3-CZ 3.99Å; W135-F183 HydrophobicContact CZ3-CZ 3.99Å
136	F	35.6	Very low	34.9	Very low	53 Å²	53	113.2 Å²	113.2	23%	0.232	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.1	166.8	-66.1	-51.7	0	0	0	110.8	C124 V125 Y127 K152	C124-F136 CarbonylContact C-O 3.49Å; C124-F136 VanDerWaalsContact CA-O 3.32Å; C124-F136 WeakPolarHBondContact CA-O 3.48Å; V125-F136 HydrophobicContact CB-CB 4.35Å; V125-F136 PolarHBondContact N-O 3.03Å; V125-F136 PolarHBondContact O-N 2.83Å; Y127-F136 HydrophobicContact CD1-CD1 4.31Å; Y127-F136 AromaticContact CD1-CD2 3.73Å; Y127-F136 HydrophobicContact CD1-CD2 3.73Å; Y127-F136 HydrophobicContact CD1-CE1 4Å; Y127-F136 AromaticContact CD1-CE2 3.37Å; Y127-F136 HydrophobicContact CD1-CE2 3.37Å; Y127-F136 HydrophobicContact CD1-CG 4.2Å; Y127-F136 AromaticContact CD1-CZ 3.52Å; Y127-F136 HydrophobicContact CD1-CZ 3.52Å; Y127-F136 HydrophobicContact CE1-CD1 4.2Å; Y127-F136 HydrophobicContact CE1-CD2 4.42Å; Y127-F136 AromaticContact CE1-CE1 3.77Å; Y127-F136 HydrophobicContact CE1-CE1 3.77Å; Y127-F136 HydrophobicContact CE1-CE2 4.01Å; Y127-F136 AromaticContact CE1-CZ 3.67Å; Y127-F136 HydrophobicContact CE1-CZ 3.67Å; Y127-F136 HydrophobicContact CG-CD2 4.43Å; Y127-F136 AromaticContact CG-CE2 3.78Å; Y127-F136 HydrophobicContact CG-CE2 3.78Å; Y127-F136 HydrophobicContact CG-CZ 4.05Å; F136-K152 HydrophobicContact CD1-CD 3.88Å; F136-K152 HydrophobicContact CE1-CD 4.2Å
137	L	33.6	Very low	35.1	Very low	94 Å²	94	113.2 Å²	113.2	49%	0.492	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	137.3	159	-78.6	162.4	0	0	0	109.9	K152 N157	L137-K152 PolarHBondContact O-NZ 3.06Å; L137-N157 HydrophobicContact CD1-CB 3.93Å
138	S	38.9	Very low	35.4	Very low	33 Å²	33	111.8 Å²	111.8	23%	0.231	53%	0.531	C	S	.	.			trans	-49.6	154.1	-175.3	-170.5	0	0	0	0	115.5	V120 S123 R140	V120-S138 PolarHBondContact O-OG 3.44Å; S123-S138 PolarHBondContact O-N 3.42Å; S138-R140 PolarHBondContact O-N 3.22Å
139	L	38.1	Very low	36	Very low	85 Å²	85	111.9 Å²	111.9	45%	0.445	53%	0.533	S	S	.	.			trans	-77.7	108.2	-173.9	-69.5	171	0	0	0	111.6	N141	L139-N141 PolarHBondContact O-N 3.02Å
140	R	40	Very low	36.7	Very low	246 Å²	246	107.2 Å²	107.2	93%	0.928	51%	0.513	S	S	*	.	S	Bend	trans	-65.9	2.8	-179.1	-75.4	-168.2	178.7	-176.5	2.9	116.8	S138	S138-R140 PolarHBondContact O-N 3.22Å
141	N	42.2	Very low	37.1	Very low	124 Å²	124	99.1 Å²	99.1	66%	0.663	49%	0.491	S	S	*	.			trans	-125.2	103.7	-175	-97.1	-24	0	0	0	111.4	L139 H143	L139-N141 PolarHBondContact O-N 3.02Å; N141-H143 PolarHBondContact O-N 3.34Å
142	V	40.2	Very low	37.6	Very low	105 Å²	105	94.2 Å²	94.2	64%	0.636	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	19.2	177.9	-158.7	0	0	0	0	112.5
143	H	42.3	Very low	38	Very low	164 Å²	164	89.7 Å²	89.7	76%	0.759	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.7	21.8	-166.2	-60.5	-27.3	0	0	0	113.1	N141	N141-H143 PolarHBondContact O-N 3.34Å
144	K	40.7	Very low	38.3	Very low	118 Å²	118	89.5 Å²	89.5	51%	0.513	46%	0.457	S	S	.	.	S	Bend	trans	-107.8	136.1	158.2	-87.8	-161.2	154.7	-164.9	0	108.5	D148 P149	K144-D148 WeakPolarHBondContact CA-OD2 3.32Å; K144-D148 HydrophobicContact CB-CB 4.07Å; K144-D148 HydrophobicContact CD-CB 4.03Å; K144-D148 HydrophobicContact CG-CB 4.26Å; K144-P149 PolarHBondContact NZ-O 2.75Å
145	Y	34.8	Very low	38.4	Very low	192 Å²	192	93.4 Å²	93.4	75%	0.753	48%	0.479	S	S	*	.			trans	-78.7	156.5	-173.6	-64.8	-90.4	0	0	0	111	G147 D148	Y145-G147 PolarHBondContact O-N 3.47Å; Y145-D148 PolarHBondContact N-OD2 2.96Å; Y145-D148 WeakPolarHBondContact O-CB 3.43Å; Y145-D148 PolarHBondContact O-N 3.25Å
146	S	39.5	Very low	38.3	Very low	86 Å²	86	95.8 Å²	95.8	60%	0.601	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	125.3	168.4	62.3	0	0	0	0	109.1
147	G	37.4	Very low	38.1	Very low	44 Å²	44	98.9 Å²	98.9	45%	0.454	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	-13.2	-172	0	0	0	0	0	115.7	Y145	Y145-G147 PolarHBondContact O-N 3.47Å
148	D	40.2	Very low	37.8	Very low	59 Å²	59	99.3 Å²	99.3	32%	0.316	52%	0.519	S	S	.	.			trans	-67.1	129	175.5	-92.1	-32.2	0	0	0	111.1	K144 Y145 F150	K144-D148 WeakPolarHBondContact CA-OD2 3.32Å; K144-D148 HydrophobicContact CB-CB 4.07Å; K144-D148 HydrophobicContact CD-CB 4.03Å; K144-D148 HydrophobicContact CG-CB 4.26Å; Y145-D148 PolarHBondContact N-OD2 2.96Å; Y145-D148 WeakPolarHBondContact O-CB 3.43Å; Y145-D148 PolarHBondContact O-N 3.25Å; D148-F150 PolarHBondContact O-N 2.98Å
149	P	41.9	Very low	37.3	Very low	68 Å²	68	102 Å²	102	44%	0.442	54%	0.537	S	S	.	.			trans	-65.7	129	172.8	25.9	-32.6	0	0	0	110.5	G112 K144	G112-P149 CarbonylContact O-C 3.5Å; G112-P149 WeakPolarHBondContact O-CA 3.05Å; K144-P149 PolarHBondContact NZ-O 2.75Å
150	F	41.5	Very low	36.7	Very low	40 Å²	40	101.3 Å²	101.3	18%	0.175	54%	0.543	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.6	172.8	70.5	-95.9	0	0	0	111	E111 G112 D148 K152	E111-F150 WeakPolarHBondContact CA-O 3.41Å; G112-F150 VanDerWaalsContact C-CE1 3.49Å; G112-F150 PolarHBondContact N-O 3.34Å; G112-F150 WeakPolarHBondContact O-CD1 3.23Å; G112-F150 PolarHBondContact O-N 3.06Å; D148-F150 PolarHBondContact O-N 2.98Å; F150-K152 HydrophobicContact CD2-CB 4.26Å; F150-K152 HydrophobicContact CE2-CB 4.42Å; F150-K152 HydrophobicContact CE2-CD 4.48Å
151	T	40.2	Very low	36.1	Very low	76 Å²	76	95.8 Å²	95.8	47%	0.466	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.3	172.3	-30	0	0	0	0	108.5	R109 E111	R109-T151 HydrophobicContact CB-CG2 3.87Å; R109-T151 HydrophobicContact CG-CG2 4.42Å; E111-T151 HydrophobicContact CG-CG2 4.07Å; E111-T151 PolarHBondContact OE1-OG1 2.98Å
152	K	38.2	Very low	35.3	Very low	55 Å²	55	94.7 Å²	94.7	24%	0.239	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.4	-178.9	-156.6	165.5	-173.9	167.7	0	111.9	K110 F136 L137 F150	K110-K152 PolarHBondContact O-N 2.95Å; F136-K152 HydrophobicContact CD1-CD 3.88Å; F136-K152 HydrophobicContact CE1-CD 4.2Å; L137-K152 PolarHBondContact O-NZ 3.06Å; F150-K152 HydrophobicContact CD2-CB 4.26Å; F150-K152 HydrophobicContact CE2-CB 4.42Å; F150-K152 HydrophobicContact CE2-CD 4.48Å
153	D	37.6	Very low	34.8	Very low	71 Å²	71	95.4 Å²	95.4	38%	0.38	54%	0.535	S	S	.	.			trans	-89.3	120.4	176.2	-149.2	-59	0	0	0	109.7	R109 T155	R109-D153 IonicContact NE-OD2 3.85Å; D153-T155 VanDerWaalsContact C-N 3.25Å; D153-T155 PolarHBondContact O-N 3.4Å; D153-T155 WeakPolarHBondContact OD1-CB 3.21Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.26Å; D153-T155 PolarHBondContact OD1-N 3.37Å; D153-T155 PolarHBondContact OD1-OG1 3.5Å
154	C	34.2	Very low	34.3	Very low	56 Å²	56	97.2 Å²	97.2	38%	0.378	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	7.7	-175	-62.1	0	0	0	0	113	V158	C154-V158 WeakPolarHBondContact O-CG2 3.32Å
155	T	35	Very low	33.8	Very low	93 Å²	93	98 Å²	98	57%	0.571	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.5	179.6	57.2	0	0	0	0	113.7	C106 D153	C106-T155 HydrophobicContact CB-CG2 4.02Å; D153-T155 VanDerWaalsContact C-N 3.25Å; D153-T155 PolarHBondContact O-N 3.4Å; D153-T155 WeakPolarHBondContact OD1-CB 3.21Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.26Å; D153-T155 PolarHBondContact OD1-N 3.37Å; D153-T155 PolarHBondContact OD1-OG1 3.5Å
156	E	31.8	Very low	34	Very low	149 Å²	149	95.6 Å²	95.6	70%	0.696	54%	0.54	S	S	*	.	S	Bend	trans	-100	123.2	-178.5	-63.8	-169.3	170	0	0	112.6
157	N	31.5	Very low	33.8	Very low	119 Å²	119	94.2 Å²	94.2	64%	0.636	53%	0.529	S	S	*	.			trans	69	31.1	168.7	-49.9	-69.2	0	0	0	117.7	L137 C159	L137-N157 HydrophobicContact CD1-CB 3.93Å; N157-C159 PolarHBondContact O-N 3.39Å
158	V	28.2	Very low	33.8	Very low	102 Å²	102	94.4 Å²	94.4	62%	0.618	52%	0.521	S	S	*	.			trans	-63.7	120.4	163.6	-179.9	0	0	0	0	109.8	C154 A160	C154-V158 WeakPolarHBondContact O-CG2 3.32Å; V158-A160 PolarHBondContact O-N 3.27Å
159	C	27.5	Very low	33.5	Very low	90 Å²	90	94.1 Å²	94.1	61%	0.608	52%	0.523	S	S	*	.			trans	-74.9	72.5	176.5	-72	0	0	0	0	111.8	N157	N157-C159 PolarHBondContact O-N 3.39Å
160	A	26.7	Very low	33.3	Very low	70 Å²	70	96.2 Å²	96.2	58%	0.579	54%	0.537	S	S	*	.			trans	-69.6	137.6	173	0	0	0	0	0	111.5	V158 V162	V158-A160 PolarHBondContact O-N 3.27Å; A160-V162 HydrophobicContact CB-CG2 4.49Å; A160-V162 PolarHBondContact O-N 3.34Å
161	V	27.4	Very low	33.2	Very low	131 Å²	131	98.2 Å²	98.2	79%	0.794	55%	0.552	S	S	*	*			trans	-73.2	114.4	173.8	178.4	0	0	0	0	109.1
162	V	25.7	Very low	33.2	Very low	101 Å²	101	107.2 Å²	107.2	61%	0.612	58%	0.578	S	S	*	*			trans	-124.3	115.3	179.7	-178.8	0	0	0	0	109.9	A160	A160-V162 HydrophobicContact CB-CG2 4.49Å; A160-V162 PolarHBondContact O-N 3.34Å
163	N	27.6	Very low	33.1	Very low	120 Å²	120	108.4 Å²	108.4	64%	0.642	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.8	74.5	170.1	-64.7	5.5	0	0	0	116.2	Q165	N163-Q165 PolarHBondContact O-N 3.32Å
164	E	32.5	Very low	33.4	Very low	202 Å²	202	107 Å²	107	94%	0.944	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.7	15.4	159.7	-55.2	-174.9	153.9	0	0	116.5
165	Q	31.2	Very low	33.7	Very low	133 Å²	133	113.5 Å²	113.5	62%	0.621	62%	0.624	S	S	*	*			trans	-116.2	129.9	176	-66.8	-172	-17	0	0	110.4	N163	N163-Q165 PolarHBondContact O-N 3.32Å
166	Y	37.5	Very low	33.9	Very low	143 Å²	143	110.4 Å²	110.4	56%	0.561	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-61.5	139.5	176.8	-62.8	-84.8	0	0	0	110.9	T168 P179 V181	Y166-T168 PolarHBondContact O-N 3.23Å; Y166-P179 HydrophobicContact CG-CB 4.45Å; Y166-V181 HydrophobicContact CD1-CG2 3.78Å; Y166-V181 HydrophobicContact CE1-CG2 4.27Å
167	P	35.4	Very low	34.3	Very low	57 Å²	57	110.2 Å²	110.2	37%	0.37	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-64.4	121.6	171.8	27	-32.8	0	0	0	109.7	C180	P167-C180 PolarHBondContact O-N 3.3Å; P167-C180 VanDerWaalsContact O-N 3.14Å; P167-C180 PolarHBondContact O-SG 2.03Å
168	T	38	Very low	34.4	Very low	48 Å²	48	108.8 Å²	108.8	29%	0.294	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	121.4	171.1	54.8	0	0	0	0	109.1	Y166 R175 S176	Y166-T168 PolarHBondContact O-N 3.23Å; T168-R175 WeakPolarHBondContact OG1-CD 3.45Å; T168-S176 WeakPolarHBondContact CB-O 3.16Å; T168-S176 WeakPolarHBondContact CG2-O 3.49Å
169	C	34.5	Very low	34.6	Very low	52 Å²	52	106.8 Å²	106.8	35%	0.351	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.6	131.9	-175.6	-69.9	0	0	0	0	109.5	S176 C180	C169-S176 WeakPolarHBondContact O-CB 3.4Å; C169-S176 PolarHBondContact O-N 3.45Å; C169-C180 VanDerWaalsContact CA-SG 3.5Å; C169-C180 WeakPolarHBondContact CB-SG 3.32Å; C169-C180 PolarHBondContact N-SG 2.96Å; C169-C180 WeakPolarHBondContact SG-CB 3.35Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 3.03Å
170	P	36.3	Very low	34.7	Very low	113 Å²	113	104.9 Å²	104.9	73%	0.734	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74	129.6	-178.6	29.6	-33.6	0	0	0	110.4
171	T	41.2	Very low	34.7	Very low	81 Å²	81	105.3 Å²	105.3	50%	0.497	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	166	177.6	77.5	0	0	0	0	110.5	G173 G174	T171-G173 PolarHBondContact O-N 2.76Å; T171-G173 PolarHBondContact OG1-N 3.25Å; T171-G174 PolarHBondContact N-O 3.29Å; T171-G174 PolarHBondContact O-N 2.91Å; T171-G174 PolarHBondContact OG1-N 2.64Å; T171-G174 PolarHBondContact OG1-O 3.23Å
172	R	38.3	Very low	34.9	Very low	266 Å²	266	105.8 Å²	105.8	100%	1.004	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-7.7	179.6	-150	174.5	-173.1	172.5	2	114.2
173	G	36.7	Very low	35	Very low	80 Å²	80	105.6 Å²	105.6	83%	0.825	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	5.6	178.3	0	0	0	0	0	115.5	T171	T171-G173 PolarHBondContact O-N 2.76Å; T171-G173 PolarHBondContact OG1-N 3.25Å
174	G	44.3	Very low	35	Very low	40 Å²	40	102.1 Å²	102.1	41%	0.412	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	156	-156.9	179	0	0	0	0	0	114.4	T171	T171-G174 PolarHBondContact N-O 3.29Å; T171-G174 PolarHBondContact O-N 2.91Å; T171-G174 PolarHBondContact OG1-N 2.64Å; T171-G174 PolarHBondContact OG1-O 3.23Å
175	R	39.5	Very low	34.8	Very low	194 Å²	194	97.7 Å²	97.7	73%	0.732	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.5	163	-72.8	178.3	177.2	-162.1	0.4	108.6	T168 T177	T168-R175 WeakPolarHBondContact OG1-CD 3.45Å; R175-T177 PolarHBondContact O-N 3.17Å
176	S	39.5	Very low	34.7	Very low	28 Å²	28	97.1 Å²	97.1	20%	0.196	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	137.1	167.7	-173.6	0	0	0	0	110.4	T168 C169 V178	T168-S176 WeakPolarHBondContact CB-O 3.16Å; T168-S176 WeakPolarHBondContact CG2-O 3.49Å; C169-S176 WeakPolarHBondContact O-CB 3.4Å; C169-S176 PolarHBondContact O-N 3.45Å; S176-V178 WeakPolarHBondContact OG-CB 3.3Å; S176-V178 PolarHBondContact OG-N 2.97Å; S176-V178 VanDerWaalsContact OG-N 3.09Å; S176-V178 PolarHBondContact OG-O 2.95Å
177	T	40.5	Very low	34.1	Very low	144 Å²	144	95 Å²	95	88%	0.883	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	-13	167.8	46.8	0	0	0	0	112.3	R175	R175-T177 PolarHBondContact O-N 3.17Å
178	V	33.7	Very low	33.9	Very low	90 Å²	90	100.7 Å²	100.7	55%	0.545	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.8	175.5	-169.3	0	0	0	0	109	S176	S176-V178 WeakPolarHBondContact OG-CB 3.3Å; S176-V178 PolarHBondContact OG-N 2.97Å; S176-V178 VanDerWaalsContact OG-N 3.09Å; S176-V178 PolarHBondContact OG-O 2.95Å
179	P	32.2	Very low	33.4	Very low	60 Å²	60	106.1 Å²	106.1	39%	0.39	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61	141.6	169.5	-19.7	32.5	0	0	0	110.3	Y166 V181	Y166-P179 HydrophobicContact CG-CB 4.45Å; P179-V181 HydrophobicContact CB-CB 4.29Å; P179-V181 HydrophobicContact CB-CG2 3.74Å; P179-V181 PolarHBondContact O-N 3.19Å
180	C	30.1	Very low	33.2	Very low	50 Å²	50	111.8 Å²	111.8	34%	0.338	58%	0.58	S	S	.	*	S	Bend	trans	-77.9	43.2	177.1	-42.6	0	0	0	0	112.2	P167 C169	P167-C180 PolarHBondContact O-N 3.3Å; P167-C180 VanDerWaalsContact O-N 3.14Å; P167-C180 PolarHBondContact O-SG 2.03Å; C169-C180 VanDerWaalsContact CA-SG 3.5Å; C169-C180 WeakPolarHBondContact CB-SG 3.32Å; C169-C180 PolarHBondContact N-SG 2.96Å; C169-C180 WeakPolarHBondContact SG-CB 3.35Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 3.03Å
181	V	27.6	Very low	32.8	Very low	79 Å²	79	108.9 Å²	108.9	48%	0.479	56%	0.562	S	S	.	*			trans	-103.6	77.6	-173.3	-175.9	0	0	0	0	108.9	Y166 P179	Y166-V181 HydrophobicContact CD1-CG2 3.78Å; Y166-V181 HydrophobicContact CE1-CG2 4.27Å; P179-V181 HydrophobicContact CB-CB 4.29Å; P179-V181 HydrophobicContact CB-CG2 3.74Å; P179-V181 PolarHBondContact O-N 3.19Å
182	H	29.7	Very low	32.3	Very low	140 Å²	140	107 Å²	107	65%	0.648	55%	0.549	S	S	*	.			trans	-137	18	176.1	-108.7	-66.4	0	0	0	113.4
183	F	28.6	Very low	31.9	Very low	98 Å²	98	98.2 Å²	98.2	43%	0.43	53%	0.526	S	S	.	.			trans	-131.7	21.9	-170.7	-85.5	-74.9	0	0	0	115.7	W135 E185 H186	W135-F183 HydrophobicContact CH2-CB 4.11Å; W135-F183 AromaticContact CH2-CD1 3.61Å; W135-F183 HydrophobicContact CH2-CD1 3.61Å; W135-F183 AromaticContact CH2-CD2 3.28Å; W135-F183 HydrophobicContact CH2-CD2 3.28Å; W135-F183 AromaticContact CH2-CE1 3.75Å; W135-F183 HydrophobicContact CH2-CE1 3.75Å; W135-F183 AromaticContact CH2-CE2 3.41Å; W135-F183 HydrophobicContact CH2-CE2 3.41Å; W135-F183 VanDerWaalsContact CH2-CE2 3.41Å; W135-F183 AromaticContact CH2-CG 3.37Å; W135-F183 HydrophobicContact CH2-CG 3.37Å; W135-F183 AromaticContact CH2-CZ 3.65Å; W135-F183 HydrophobicContact CH2-CZ 3.65Å; W135-F183 HydrophobicContact CZ2-CB 3.94Å; W135-F183 HydrophobicContact CZ2-CD1 4.27Å; W135-F183 AromaticContact CZ2-CD2 3.78Å; W135-F183 HydrophobicContact CZ2-CD2 3.78Å; W135-F183 HydrophobicContact CZ2-CE2 4.34Å; W135-F183 AromaticContact CZ2-CG 3.73Å; W135-F183 HydrophobicContact CZ2-CG 3.73Å; W135-F183 HydrophobicContact CZ3-CD2 4.13Å; W135-F183 HydrophobicContact CZ3-CE1 4.4Å; W135-F183 AromaticContact CZ3-CE2 3.84Å; W135-F183 HydrophobicContact CZ3-CE2 3.84Å; W135-F183 AromaticContact CZ3-CZ 3.99Å; W135-F183 HydrophobicContact CZ3-CZ 3.99Å; F183-E185 VanDerWaalsContact C-N 3.29Å; F183-H186 HydrophobicContact CD1-CB 4.1Å; F183-H186 HydrophobicContact CE1-CB 4.3Å
184	C	27.4	Very low	31.5	Very low	47 Å²	47	101.1 Å²	101.1	32%	0.318	52%	0.523	S	S	.	.	S	Bend	trans	-71.1	-25.9	161.6	-83	0	0	0	0	112.7	C191	C184-C191 HydrophobicContact CB-CB 3.64Å; C184-C191 WeakPolarHBondContact CB-SG 3.2Å; C184-C191 WeakPolarHBondContact SG-CB 3.44Å; C184-C191 CovalentContact SG-SG 2.04Å; C184-C191 PolarHBondContact SG-SG 2.67Å
185	E	28.5	Very low	30.9	Very low	109 Å²	109	107 Å²	107	51%	0.509	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-19	-160.1	-59.4	177.3	129.1	0	0	113.8	F183 Y582	F183-E185 VanDerWaalsContact C-N 3.29Å; E185-Y582 HydrophobicContact CB-CE1 4.19Å
186	H	28.7	Very low	30.3	Very low	120 Å²	120	102.2 Å²	102.2	56%	0.556	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.6	-171.1	-113.8	-84.4	0	0	0	115.4	F183	F183-H186 HydrophobicContact CD1-CB 4.1Å; F183-H186 HydrophobicContact CE1-CB 4.3Å
187	Y	26.3	Very low	29.7	Very low	99 Å²	99	108.4 Å²	108.4	39%	0.388	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	139.9	174.9	-63.9	-76	0	0	0	109.1	V128 V133 W189	V128-Y187 HydrophobicContact CG2-CD1 4.41Å; V128-Y187 HydrophobicContact CG2-CE1 3.79Å; V128-Y187 HydrophobicContact CG2-CE2 3.9Å; V133-Y187 HydrophobicContact CG2-CD2 4.4Å; Y187-W189 VanDerWaalsContact C-N 3.34Å; Y187-W189 PolarHBondContact O-N 2.84Å
188	H	29.7	Very low	29	Very low	176 Å²	176	108.8 Å²	108.8	82%	0.815	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	77.8	-170.3	-63.2	-98.3	0	0	0	115.4
189	W	27.6	Very low	28.9	Very low	163 Å²	163	112 Å²	112	62%	0.617	56%	0.559	S	S	*	*			trans	-128.6	129.5	177.2	-73.2	68.1	0	0	0	109.9	K131 Y187 C191	K131-W189 WeakPolarHBondContact O-CZ2 3.32Å; Y187-W189 VanDerWaalsContact C-N 3.34Å; Y187-W189 PolarHBondContact O-N 2.84Å; W189-C191 PolarHBondContact O-N 3.3Å
190	I	31.5	Very low	28.8	Very low	170 Å²	170	120.5 Å²	120.5	87%	0.872	58%	0.584	S	S	*	*			trans	-79.8	85.8	-174.6	-53.8	174.4	0	0	0	109.6	D192	I190-D192 VanDerWaalsContact C-N 3.32Å; I190-D192 PolarHBondContact O-N 2.83Å
191	C	27	Very low	28.9	Very low	52 Å²	52	123.1 Å²	123.1	35%	0.351	59%	0.59	S	S	.	*			trans	-75.1	85.6	166.5	-71.5	0	0	0	0	109.8	C184 W189 P193 L196	C184-C191 HydrophobicContact CB-CB 3.64Å; C184-C191 WeakPolarHBondContact CB-SG 3.2Å; C184-C191 WeakPolarHBondContact SG-CB 3.44Å; C184-C191 CovalentContact SG-SG 2.04Å; C184-C191 PolarHBondContact SG-SG 2.67Å; W189-C191 PolarHBondContact O-N 3.3Å; C191-P193 WeakPolarHBondContact O-CD 3.43Å; C191-P193 VanDerWaalsContact O-N 3.13Å; C191-L196 HydrophobicContact CB-CD1 4.24Å
192	D	31.4	Very low	29.1	Very low	42 Å²	42	126.6 Å²	126.6	23%	0.225	60%	0.6	C	S	.	*			trans	-56.6	107.2	-179.2	-176.3	-21.2	0	0	0	112.3	I190 N194 K195 L196	I190-D192 VanDerWaalsContact C-N 3.32Å; I190-D192 PolarHBondContact O-N 2.83Å; D192-N194 PolarHBondContact O-N 3.36Å; D192-N194 WeakPolarHBondContact OD1-CA 2.96Å; D192-N194 WeakPolarHBondContact OD1-CB 3.43Å; D192-N194 PolarHBondContact OD1-N 3.3Å; D192-K195 HydrophobicContact CB-CB 4.16Å; D192-K195 HydrophobicContact CB-CD 4.36Å; D192-K195 HydrophobicContact CB-CG 4.34Å; D192-K195 PolarHBondContact O-N 2.96Å; D192-K195 VanDerWaalsContact O-N 3.13Å; D192-K195 PolarHBondContact OD1-N 3.05Å; D192-K195 WeakPolarHBondContact OD2-CD 3.08Å; D192-K195 WeakPolarHBondContact OD2-CG 3.4Å; D192-K195 IonicContact OD2-NZ 2.74Å; D192-K195 PolarHBondContact OD2-NZ 2.79Å; D192-L196 PolarHBondContact O-N 2.62Å; D192-L196 VanDerWaalsContact O-N 3.12Å
193	P	28.6	Very low	29.2	Very low	81 Å²	81	126.1 Å²	126.1	53%	0.526	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-29.7	-177.1	-20.6	34.1	0	0	0	112.1	C191 K195 L196 F197	C191-P193 WeakPolarHBondContact O-CD 3.43Å; C191-P193 VanDerWaalsContact O-N 3.13Å; P193-K195 VanDerWaalsContact C-N 3.28Å; P193-K195 PolarHBondContact O-N 2.68Å; P193-L196 PolarHBondContact O-N 3Å; P193-F197 WeakPolarHBondContact O-CD2 3.04Å; P193-F197 PolarHBondContact O-N 2.87Å
194	N	30.1	Very low	29.4	Very low	142 Å²	142	126.8 Å²	126.8	76%	0.759	61%	0.607	S	S	*	*	H	α-helix	trans	-81.7	-6.5	-177.6	-59.8	-43.3	0	0	0	112.9	D192	D192-N194 PolarHBondContact O-N 3.36Å; D192-N194 WeakPolarHBondContact OD1-CA 2.96Å; D192-N194 WeakPolarHBondContact OD1-CB 3.43Å; D192-N194 PolarHBondContact OD1-N 3.3Å
195	K	30.4	Very low	29.5	Very low	164 Å²	164	131.7 Å²	131.7	71%	0.713	62%	0.62	S	S	*	*	H	α-helix	trans	-103.4	-23.6	166.1	-70.7	-176.7	-175.5	74.5	0	113.4	D192 P193 F197	D192-K195 HydrophobicContact CB-CB 4.16Å; D192-K195 HydrophobicContact CB-CD 4.36Å; D192-K195 HydrophobicContact CB-CG 4.34Å; D192-K195 PolarHBondContact O-N 2.96Å; D192-K195 VanDerWaalsContact O-N 3.13Å; D192-K195 PolarHBondContact OD1-N 3.05Å; D192-K195 WeakPolarHBondContact OD2-CD 3.08Å; D192-K195 WeakPolarHBondContact OD2-CG 3.4Å; D192-K195 IonicContact OD2-NZ 2.74Å; D192-K195 PolarHBondContact OD2-NZ 2.79Å; P193-K195 VanDerWaalsContact C-N 3.28Å; P193-K195 PolarHBondContact O-N 2.68Å; K195-F197 VanDerWaalsContact C-N 3.35Å
196	L	27.9	Very low	29.5	Very low	93 Å²	93	134.2 Å²	134.2	49%	0.487	63%	0.629	S	S	.	*	H	α-helix	trans	-70.6	-28.3	177.1	-82.3	161.5	0	0	0	113.1	C191 D192 P193	C191-L196 HydrophobicContact CB-CD1 4.24Å; D192-L196 PolarHBondContact O-N 2.62Å; D192-L196 VanDerWaalsContact O-N 3.12Å; P193-L196 PolarHBondContact O-N 3Å
197	F	26.2	Very low	29.4	Very low	157 Å²	157	135.5 Å²	135.5	69%	0.689	64%	0.635	S	S	*	*	S	Bend	trans	-104.2	102.5	174.7	-65.9	-75	0	0	0	112	P193 K195 N199	P193-F197 WeakPolarHBondContact O-CD2 3.04Å; P193-F197 PolarHBondContact O-N 2.87Å; K195-F197 VanDerWaalsContact C-N 3.35Å; F197-N199 PolarHBondContact O-N 2.89Å
198	L	26.2	Very low	29.3	Very low	153 Å²	153	138.1 Å²	138.1	80%	0.801	65%	0.648	S	S	*	*			trans	-57.7	124.3	172.1	-81.4	169.9	0	0	0	110.7	R200 K201	L198-R200 PolarHBondContact O-N 2.84Å; L198-K201 PolarHBondContact O-N 2.74Å
199	N	30.1	Very low	29.1	Very low	157 Å²	157	137 Å²	137	84%	0.84	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	46.2	-163.1	-162.3	-2.7	0	0	0	114.9	F197	F197-N199 PolarHBondContact O-N 2.89Å
200	R	31.6	Very low	29	Very low	239 Å²	239	135.5 Å²	135.5	90%	0.902	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.1	-16.4	174.8	-80.9	-168.9	169.2	179.3	-4.7	114.8	L198	L198-R200 PolarHBondContact O-N 2.84Å
201	K	31.2	Very low	28.7	Very low	105 Å²	105	136.6 Å²	136.6	46%	0.457	66%	0.655	S	S	.	*	S	Bend	trans	-105.9	-1	-176.8	-71.7	-165.3	165.1	-85.6	0	116.1	L198 N203 E204 Y205	L198-K201 PolarHBondContact O-N 2.74Å; K201-N203 PolarHBondContact O-N 3.17Å; K201-N203 VanDerWaalsContact O-N 3.1Å; K201-E204 WeakPolarHBondContact CG-OE2 3.38Å; K201-E204 IonicContact NZ-OE2 2.55Å; K201-E204 PolarHBondContact NZ-OE2 2.61Å; K201-E204 PolarHBondContact O-N 3.05Å; K201-Y205 HydrophobicContact CB-CD2 4.25Å; K201-Y205 HydrophobicContact CB-CE2 3.94Å; K201-Y205 HydrophobicContact CD-CE2 4.03Å
202	H	31.7	Very low	28.9	Very low	152 Å²	152	139.3 Å²	139.3	70%	0.704	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-36.1	177.3	-178.5	-88.2	0	0	0	113.4
203	N	33.2	Very low	28.9	Very low	129 Å²	129	142.9 Å²	142.9	69%	0.69	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-13.1	-179.2	-66.1	-6.5	0	0	0	114.3	K201	K201-N203 PolarHBondContact O-N 3.17Å; K201-N203 VanDerWaalsContact O-N 3.1Å
204	E	31.1	Very low	28.9	Very low	112 Å²	112	144.5 Å²	144.5	52%	0.523	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-24	-179.1	-67.6	-176.4	151.1	0	0	112.8	K201	K201-E204 WeakPolarHBondContact CG-OE2 3.38Å; K201-E204 IonicContact NZ-OE2 2.55Å; K201-E204 PolarHBondContact NZ-OE2 2.61Å; K201-E204 PolarHBondContact O-N 3.05Å
205	Y	31.4	Very low	28.9	Very low	151 Å²	151	142.6 Å²	142.6	59%	0.592	70%	0.698	S	S	*	*	S	Bend	trans	-98.2	8.2	-178.8	-64.2	-64.5	0	0	0	114.6	K201 H207 F208	K201-Y205 HydrophobicContact CB-CD2 4.25Å; K201-Y205 HydrophobicContact CB-CE2 3.94Å; K201-Y205 HydrophobicContact CD-CE2 4.03Å; Y205-H207 PolarHBondContact O-N 3.18Å; Y205-F208 HydrophobicContact CD1-CD2 4.45Å; Y205-F208 HydrophobicContact CD1-CE2 4.46Å
206	K	28	Very low	28.9	Very low	162 Å²	162	140 Å²	140	70%	0.704	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-4.7	175.6	-173.9	167.8	178.5	173.1	0	114.4
207	H	25.6	Very low	29	Very low	146 Å²	146	147.3 Å²	147.3	68%	0.676	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	37.4	-164.8	-64	-57.7	0	0	0	115.2	Y205	Y205-H207 PolarHBondContact O-N 3.18Å
208	F	25.3	Very low	29	Very low	154 Å²	154	143.5 Å²	143.5	68%	0.675	72%	0.724	S	S	*	*			trans	-135.6	119.4	163.6	-59.4	-86.9	0	0	0	107.9	Y205	Y205-F208 HydrophobicContact CD1-CD2 4.45Å; Y205-F208 HydrophobicContact CD1-CE2 4.46Å
209	L	24.8	Very low	29	Very low	154 Å²	154	143.3 Å²	143.3	81%	0.806	72%	0.722	S	S	*	*	S	Bend	cis	-130.7	133.9	10.1	-73.6	166	0	0	0	113.4
210	V	26	Very low	29	Very low	131 Å²	131	146.5 Å²	146.5	79%	0.794	72%	0.724	S	S	*	*			trans	41.2	106.8	151.4	-165.7	0	0	0	0	119.4
211	K	24	Very low	28.6	Very low	192 Å²	192	143 Å²	143	84%	0.835	72%	0.723	S	S	*	*			trans	-103	115.6	152.6	175.9	179	-176.5	171.7	0	108.4	P213	K211-P213 WeakPolarHBondContact O-CD 3.29Å
212	D	31.2	Very low	28.5	Very low	109 Å²	109	147 Å²	147	58%	0.583	74%	0.74	S	S	*	*			trans	-83.7	122.6	168.7	-168	-43.8	0	0	0	109.6	T214	D212-T214 WeakPolarHBondContact OD1-CB 3.45Å; D212-T214 PolarHBondContact OD1-N 3.16Å; D212-T214 PolarHBondContact OD1-OG1 3.02Å
213	P	31.2	Very low	28.4	Very low	117 Å²	117	149.1 Å²	149.1	76%	0.76	75%	0.751	S	S	*	*			trans	-82.2	-0.4	179.7	-13.7	30.9	0	0	0	116	K211	K211-P213 WeakPolarHBondContact O-CD 3.29Å
214	T	30.5	Very low	28.2	Very low	115 Å²	115	147.8 Å²	147.8	71%	0.706	75%	0.752	S	S	*	*	S	Bend	trans	-126.8	-9.5	-150.5	65.5	0	0	0	0	119.1	D212	D212-T214 WeakPolarHBondContact OD1-CB 3.45Å; D212-T214 PolarHBondContact OD1-N 3.16Å; D212-T214 PolarHBondContact OD1-OG1 3.02Å
215	S	28.9	Very low	28.1	Very low	102 Å²	102	148.5 Å²	148.5	71%	0.713	76%	0.764	S	S	*	*			trans	-150.6	136.8	-177.9	-169	0	0	0	0	115.6
216	P	31.1	Very low	27.9	Very low	111 Å²	111	146.2 Å²	146.2	72%	0.721	77%	0.77	S	S	*	*			trans	-103.5	105.8	176.1	35.3	-28.2	0	0	0	113.7
217	R	29.1	Very low	28	Very low	245 Å²	245	144.5 Å²	144.5	93%	0.925	77%	0.773	S	S	*	*			trans	163.3	113.4	151.1	-89.9	151.8	-168.6	-166.1	5.5	112.9
218	G	26.8	Very low	28	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	78%	0.776	S	S	*	*			trans	66.6	-172.7	166.4	0	0	0	0	0	116.2
219	I	27.1	Very low	28.1	Very low	149 Å²	149	146.7 Å²	146.7	76%	0.764	79%	0.786	S	S	*	*			cis	-148.8	127.3	10.2	-85.3	-167.2	0	0	0	112.1
220	Y	28.3	Very low	28.3	Very low	224 Å²	224	143.9 Å²	143.9	88%	0.878	78%	0.777	S	S	*	*			trans	37.1	159.8	139.2	-57.6	-77.5	0	0	0	126.6
221	N	25	Very low	28.4	Very low	167 Å²	167	150 Å²	150	89%	0.893	79%	0.786	S	S	*	*			trans	-87.9	167.4	-177.5	-164.2	2.7	0	0	0	113.2
222	K	28	Very low	28.6	Very low	187 Å²	187	144.5 Å²	144.5	81%	0.813	78%	0.784	S	S	*	*			trans	-134.4	86.8	-166.2	-169.8	-165.8	176.8	-175.6	0	115.8
223	E	30.2	Very low	28.4	Very low	198 Å²	198	147.4 Å²	147.4	93%	0.925	80%	0.799	S	S	*	*			trans	-176.2	130.4	146.4	-104.8	164.3	-142.1	0	0	106.4
224	S	28.7	Very low	28.1	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	80%	0.801	S	S	*	*			cis	-144.6	158.9	2.8	57.7	0	0	0	0	111.6
225	T	29.5	Very low	28.1	Very low	126 Å²	126	146.6 Å²	146.6	77%	0.773	80%	0.799	S	S	*	*			trans	36.4	112.7	164.3	51.3	0	0	0	0	121
226	S	26.3	Very low	27.8	Very low	104 Å²	104	148 Å²	148	73%	0.727	80%	0.803	S	S	*	*				42.5	129.6	110.1	-142.7	0	0	0	0	118.6
227	T	30.3	Very low	27.5	Very low	125 Å²	125	149.3 Å²	149.3	77%	0.767	81%	0.809	S	S	*	*			cis	-157	155.6	21.9	-29.6	0	0	0	0	111.2
228	T	26.6	Very low	27.2	Very low	119 Å²	119	147.2 Å²	147.2	73%	0.73	80%	0.801	S	S	*	*			trans	-71.1	139.6	172.1	48.7	0	0	0	0	113.4
229	Y	27.2	Very low	27	Very low	227 Å²	227	151.1 Å²	151.1	89%	0.89	80%	0.8	S	S	*	*				-166.4	141.2	129.2	-108.9	-75.9	0	0	0	109.9
230	P	29.3	Very low	26.9	Very low	96 Å²	96	150.9 Å²	150.9	62%	0.623	81%	0.806	S	S	*	*			trans	-102.6	173.1	176	40	-35.8	0	0	0	113.1
231	W	27.6	Very low	26.7	Very low	259 Å²	259	148.3 Å²	148.3	98%	0.981	81%	0.806	S	S	*	*			trans	78.6	138.1	-179.2	-55.9	36.9	0	0	0	114.6
232	G	27.1	Very low	26.7	Very low	77 Å²	77	143.5 Å²	143.5	79%	0.794	80%	0.796	S	S	*	*			trans	124.6	125.2	168.1	0	0	0	0	0	115.5
233	D	27	Very low	26.6	Very low	169 Å²	169	140.2 Å²	140.2	90%	0.904	80%	0.797	S	S	*	*			trans	-66.7	162.1	-171.2	-55.5	-74.3	0	0	0	118.1
234	S	26	Very low	26.3	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	79%	0.787	S	S	*	*			trans	-28.5	176	155.1	-121.6	0	0	0	0	118.7
235	P	30.7	Very low	26.4	Very low	102 Å²	102	138.3 Å²	138.3	66%	0.662	80%	0.795	S	S	*	*			cis	-143.7	-178.2	0.2	39.7	-19.6	0	0	0	117.4
236	V	22.2	Very low	26.3	Very low	131 Å²	131	137.6 Å²	137.6	79%	0.794	79%	0.791	S	S	*	*			trans	70.5	151.3	143.9	150.7	0	0	0	0	117.3
237	T	23.9	Very low	26.2	Very low	138 Å²	138	144.7 Å²	144.7	85%	0.847	80%	0.801	S	S	*	*			cis	-141.4	-162.5	22.3	-25.2	0	0	0	0	114
238	R	22.9	Very low	25.9	Very low	202 Å²	202	142.1 Å²	142.1	76%	0.762	80%	0.8	S	S	*	*			trans	-142.2	168.7	-164.8	-159.5	-169.4	-162.2	-179.9	7.1	112.9
239	M	22.1	Very low	25.7	Very low	158 Å²	158	141.7 Å²	141.7	78%	0.778	80%	0.802	S	S	*	*			trans	84	140.2	164.1	-57.8	177.6	-75	0	0	117.2
240	T	25.2	Very low	25.6	Very low	144 Å²	144	136.9 Å²	136.9	88%	0.883	80%	0.795	S	S	*	*				-142.1	164.2	77.9	-26.4	0	0	0	0	114.2
241	I	24.7	Very low	25.3	Very low	170 Å²	170	142.7 Å²	142.7	87%	0.872	81%	0.807	S	S	*	*			trans	-119.2	142	174.3	-65.9	172.4	0	0	0	110
242	G	25.3	Very low	25.1	Very low	66 Å²	66	138 Å²	138	68%	0.68	80%	0.8	S	S	*	*			trans	152	155.8	162.4	0	0	0	0	0	113.1
243	S	25.2	Very low	24.9	Very low	119 Å²	119	138.9 Å²	138.9	83%	0.832	80%	0.8	S	S	*	*			cis	-172.3	113.5	-16.4	48.7	0	0	0	0	109.5
244	G	23.7	Very low	24.8	Very low	70 Å²	70	140 Å²	140	72%	0.722	80%	0.799	S	S	*	*			trans	49.6	128.2	157.3	0	0	0	0	0	122
245	H	32.3	Very low	24.8	Very low	188 Å²	188	138.6 Å²	138.6	87%	0.87	79%	0.789	S	S	*	*			trans	-150.7	97.4	130.3	-110.1	-50.8	0	0	0	114.8
246	T	25.8	Very low	24.8	Very low	112 Å²	112	137.3 Å²	137.3	69%	0.687	78%	0.779	S	S	*	*			trans	-1.7	136.2	146.3	57.5	0	0	0	0	121.4
247	R	25	Very low	25.2	Very low	252 Å²	252	137.3 Å²	137.3	95%	0.951	77%	0.77	S	S	*	*			trans	112.7	125	147.7	-66.9	-178.7	173.8	177.1	-2.1	116.3
248	G	24.5	Very low	25.7	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	76%	0.763	S	S	*	*			trans	162.8	38	174.4	0	0	0	0	0	115.9	V250	G248-V250 PolarHBondContact O-N 2.95Å; G248-V250 VanDerWaalsContact O-N 3.11Å
249	S	23	Very low	26.2	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	75%	0.751	S	S	*	*			trans	-75.7	97.4	-178.9	55.9	0	0	0	0	112.1
250	V	23.6	Very low	26.6	Very low	126 Å²	126	134.4 Å²	134.4	76%	0.764	75%	0.747	S	S	*	*			trans	-93	112.8	170.4	-178.1	0	0	0	0	109.2	G248 L252	G248-V250 PolarHBondContact O-N 2.95Å; G248-V250 VanDerWaalsContact O-N 3.11Å; V250-L252 PolarHBondContact O-N 2.94Å
251	Y	23.1	Very low	26.8	Very low	218 Å²	218	136 Å²	136	86%	0.855	74%	0.737	S	S	*	*			trans	-74.8	111.8	167.4	-79.1	-104.9	0	0	0	108.8
252	L	23.6	Very low	27.1	Very low	162 Å²	162	134 Å²	134	85%	0.848	73%	0.729	S	S	*	*			trans	-87.8	141	161.1	-77	167	0	0	0	109.2	V250	V250-L252 PolarHBondContact O-N 2.94Å
253	A	24	Very low	27.1	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	73%	0.728	S	S	*	*			trans	-72.5	144.6	-162.5	0	0	0	0	0	113.2	C255	A253-C255 PolarHBondContact O-N 2.9Å
254	Q	24.9	Very low	27	Very low	192 Å²	192	136.5 Å²	136.5	90%	0.897	73%	0.725	S	S	*	*			trans	-72.7	113.9	166.7	-65.6	178.5	-69.9	0	0	108.8
255	C	25.4	Very low	27.1	Very low	84 Å²	84	139.6 Å²	139.6	57%	0.568	73%	0.732	S	S	*	*			trans	-64.2	139.4	164.1	-65.9	0	0	0	0	109.6	A253 Q259	A253-C255 PolarHBondContact O-N 2.9Å; C255-Q259 HydrophobicContact CB-CB 4.34Å
256	T	31	Very low	26.7	Very low	75 Å²	75	135.5 Å²	135.5	46%	0.46	73%	0.725	S	S	.	*			trans	-72.6	157.3	168.9	65.9	0	0	0	0	110.3	E258 Q259 Y260	T256-E258 PolarHBondContact O-N 2.88Å; T256-Q259 WeakPolarHBondContact O-CB 3.47Å; T256-Q259 PolarHBondContact O-N 3.28Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.42Å; T256-Q259 PolarHBondContact OG1-N 3.36Å; T256-Y260 PolarHBondContact O-N 2.88Å; T256-Y260 VanDerWaalsContact O-N 3.08Å
257	E	30.9	Very low	26.5	Very low	132 Å²	132	139 Å²	139	62%	0.617	73%	0.731	S	S	*	*	H	α-helix	trans	-57	-32.3	176.5	-158.5	-166.8	139	0	0	112.1	Y260 R261	E257-Y260 PolarHBondContact O-N 3.31Å; E257-R261 WeakPolarHBondContact O-CD 3.44Å; E257-R261 VanDerWaalsContact O-CG 3.24Å; E257-R261 WeakPolarHBondContact O-CG 3.28Å; E257-R261 PolarHBondContact O-N 3.12Å; E257-R261 VanDerWaalsContact O-N 3.14Å; E257-R261 IonicContact OE1-CZ 3.14Å; E257-R261 VanDerWaalsContact OE1-CZ 3.26Å; E257-R261 IonicContact OE1-NE 2.74Å; E257-R261 PolarHBondContact OE1-NE 3.46Å; E257-R261 IonicContact OE1-NH2 2.7Å; E257-R261 PolarHBondContact OE1-NH2 2.92Å
258	E	32.6	Very low	26.4	Very low	148 Å²	148	135.7 Å²	135.7	69%	0.692	73%	0.726	S	S	*	*	H	α-helix	trans	-73.1	-31.1	175.9	-166.7	170	-135.3	0	0	113	T256 N262	T256-E258 PolarHBondContact O-N 2.88Å; E258-N262 PolarHBondContact O-ND2 2.94Å
259	Q	33.3	Very low	26.4	Very low	108 Å²	108	139.2 Å²	139.2	51%	0.505	73%	0.733	S	S	.	*	H	α-helix	trans	-71.6	-35.9	171.2	-74.7	169.2	-21.1	0	0	111.9	C255 T256 N262	C255-Q259 HydrophobicContact CB-CB 4.34Å; T256-Q259 WeakPolarHBondContact O-CB 3.47Å; T256-Q259 PolarHBondContact O-N 3.28Å; T256-Q259 WeakPolarHBondContact OG1-CG 3.42Å; T256-Q259 PolarHBondContact OG1-N 3.36Å; Q259-N262 PolarHBondContact O-N 3.35Å
260	Y	31.4	Very low	26.4	Very low	180 Å²	180	136.9 Å²	136.9	71%	0.706	73%	0.726	S	S	*	*	H	α-helix	trans	-66.1	-40.6	176.1	-173.2	-100.5	0	0	0	112.1	T256 E257 N262	T256-Y260 PolarHBondContact O-N 2.88Å; T256-Y260 VanDerWaalsContact O-N 3.08Å; E257-Y260 PolarHBondContact O-N 3.31Å; Y260-N262 PolarHBondContact O-N 3Å
261	R	29.7	Very low	26.3	Very low	178 Å²	178	136.4 Å²	136.4	67%	0.672	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-11.2	179.9	-72.5	165.3	-179.9	-88.2	4.8	114.8	E257	E257-R261 WeakPolarHBondContact O-CD 3.44Å; E257-R261 VanDerWaalsContact O-CG 3.24Å; E257-R261 WeakPolarHBondContact O-CG 3.28Å; E257-R261 PolarHBondContact O-N 3.12Å; E257-R261 VanDerWaalsContact O-N 3.14Å; E257-R261 IonicContact OE1-CZ 3.14Å; E257-R261 VanDerWaalsContact OE1-CZ 3.26Å; E257-R261 IonicContact OE1-NE 2.74Å; E257-R261 PolarHBondContact OE1-NE 3.46Å; E257-R261 IonicContact OE1-NH2 2.7Å; E257-R261 PolarHBondContact OE1-NH2 2.92Å
262	N	29.8	Very low	26.4	Very low	129 Å²	129	131.9 Å²	131.9	69%	0.69	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	10.5	-171.2	-77	-49.9	0	0	0	115	E258 Q259 Y260	E258-N262 PolarHBondContact O-ND2 2.94Å; Q259-N262 PolarHBondContact O-N 3.35Å; Y260-N262 PolarHBondContact O-N 3Å
263	Q	26.3	Very low	26.4	Very low	144 Å²	144	127.4 Å²	127.4	67%	0.673	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-83.3	128.7	174.8	-67.1	-170.9	-5.5	0	0	111.8
264	A	23.5	Very low	26.4	Very low	93 Å²	93	130.1 Å²	130.1	77%	0.769	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-75.7	134.6	175.3	0	0	0	0	0	110.8	S266	A264-S266 PolarHBondContact O-N 3.42Å
265	P	24.9	Very low	26.5	Very low	134 Å²	134	125.6 Å²	125.6	87%	0.87	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-80.1	116.6	-168.1	30.5	-35.3	0	0	0	112.9
266	S	23.5	Very low	26.6	Very low	102 Å²	102	124.2 Å²	124.2	71%	0.713	67%	0.672	S	S	*	*			trans	-101.4	109.7	163.9	56.8	0	0	0	0	110.5	A264	A264-S266 PolarHBondContact O-N 3.42Å
267	F	22.3	Very low	26.3	Very low	186 Å²	186	127.8 Å²	127.8	82%	0.816	69%	0.685	S	S	*	*	S	Bend	trans	44.8	118.5	159.7	-62.5	-80.9	0	0	0	120.5
268	H	23.5	Very low	26	Very low	183 Å²	183	131.1 Å²	131.1	85%	0.847	69%	0.692	S	S	*	*			trans	55.7	84.7	155	-64.6	-76.8	0	0	0	119
269	V	24.2	Very low	25.6	Very low	145 Å²	145	131 Å²	131	88%	0.879	70%	0.695	S	S	*	*			trans	-133.6	137	147.4	-171.8	0	0	0	0	108.2
270	G	23	Very low	25.1	Very low	61 Å²	61	134.7 Å²	134.7	63%	0.629	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-91.8	166.8	-174.4	0	0	0	0	0	114.6
271	C	22.3	Very low	24.8	Very low	115 Å²	115	132.1 Å²	132.1	78%	0.777	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-69.6	133.4	169.4	-62.7	0	0	0	0	110.6
272	I	23.3	Very low	24.5	Very low	124 Å²	124	134.1 Å²	134.1	64%	0.636	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-103.2	127.8	177.1	-59.4	175.2	0	0	0	107.4	A276	I272-A276 HydrophobicContact CG2-CB 3.75Å
273	S	24.9	Very low	24.3	Very low	68 Å²	68	139.1 Å²	139.1	48%	0.476	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-79	155.1	171.3	58.9	0	0	0	0	111.2	D275 A276	S273-D275 PolarHBondContact O-N 3.34Å; S273-A276 WeakPolarHBondContact O-CB 3.3Å; S273-A276 PolarHBondContact O-N 3.19Å
274	E	24.6	Very low	24.2	Very low	151 Å²	151	138 Å²	138	71%	0.706	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-60.9	-28.3	-177	-67.6	-168.8	98.4	0	0	113.3	A276 M277	E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 2.77Å; E274-M277 PolarHBondContact O-N 2.7Å; E274-M277 VanDerWaalsContact O-N 3.1Å
275	D	26.7	Very low	24.4	Very low	98 Å²	98	137.9 Å²	137.9	52%	0.524	72%	0.719	S	S	.	*	G	3₁₀ helix	trans	-62.7	-32.2	176	-58.6	-64.4	0	0	0	113	S273 M277 R278	S273-D275 PolarHBondContact O-N 3.34Å; D275-M277 PolarHBondContact O-N 2.07Å; D275-M277 VanDerWaalsContact O-N 3.17Å; D275-R278 PolarHBondContact O-N 3.49Å; D275-R278 VanDerWaalsContact O-N 3.08Å
276	A	26.4	Very low	24.4	Very low	55 Å²	55	140.3 Å²	140.3	46%	0.455	71%	0.712	S	S	.	*	G	3₁₀ helix	trans	-69.3	-9.2	177.1	0	0	0	0	0	113.4	I272 S273 E274	I272-A276 HydrophobicContact CG2-CB 3.75Å; S273-A276 WeakPolarHBondContact O-CB 3.3Å; S273-A276 PolarHBondContact O-N 3.19Å; E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 2.77Å
277	M	24.4	Very low	24.4	Very low	150 Å²	150	145 Å²	145	74%	0.739	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-91	-2.6	171.3	-70.3	-163.5	167.6	0	0	114.2	E274 D275	E274-M277 PolarHBondContact O-N 2.7Å; E274-M277 VanDerWaalsContact O-N 3.1Å; D275-M277 PolarHBondContact O-N 2.07Å; D275-M277 VanDerWaalsContact O-N 3.17Å
278	R	24.6	Very low	24.6	Very low	201 Å²	201	142.1 Å²	142.1	76%	0.758	72%	0.716	S	S	*	*	S	Bend	trans	-101.1	-10.2	-175.4	-75.9	-175.3	169.4	178.1	-1.5	116.2	D275	D275-R278 PolarHBondContact O-N 3.49Å; D275-R278 VanDerWaalsContact O-N 3.08Å
279	I	25.3	Very low	24.6	Very low	146 Å²	146	139.2 Å²	139.2	75%	0.749	71%	0.711	S	S	*	*			trans	-125.8	63.3	-175.1	-43.6	-176.3	0	0	0	112
280	F	23.1	Very low	24.6	Very low	186 Å²	186	136.9 Å²	136.9	82%	0.816	70%	0.697	S	S	*	*			trans	-110	76.8	157.9	-92.6	-83.9	0	0	0	109.7
281	L	23.8	Very low	24.6	Very low	126 Å²	126	140.2 Å²	140.2	66%	0.66	71%	0.705	S	S	*	*			trans	-116.1	100.4	166.6	-77.2	174	0	0	0	108.7	Y283 V290	L281-Y283 PolarHBondContact O-N 2.93Å; L281-V290 HydrophobicContact CD2-CG2 4.4Å
282	Y	24.3	Very low	24.7	Very low	220 Å²	220	144.5 Å²	144.5	86%	0.863	71%	0.706	S	S	*	*			trans	-66.8	121.5	171	-123.7	-99.1	0	0	0	108.9	D284	Y282-D284 PolarHBondContact O-N 3.09Å; Y282-D284 VanDerWaalsContact O-N 3.08Å
283	Y	24.5	Very low	24.8	Very low	234 Å²	234	148.5 Å²	148.5	92%	0.918	72%	0.719	S	S	*	*			trans	-78.5	80.3	161.9	-95.3	-89.2	0	0	0	108.6	L281	L281-Y283 PolarHBondContact O-N 2.93Å
284	D	25.2	Very low	24.9	Very low	120 Å²	120	152.8 Å²	152.8	64%	0.642	74%	0.736	S	S	*	*			trans	-74.8	148.6	150.8	-164.6	-0.1	0	0	0	108.5	Y282 Y286	Y282-D284 PolarHBondContact O-N 3.09Å; Y282-D284 VanDerWaalsContact O-N 3.08Å; D284-Y286 PolarHBondContact O-N 2.92Å
285	S	26.7	Very low	25	Very low	91 Å²	91	151.6 Å²	151.6	64%	0.636	74%	0.74	S	S	*	*	S	Bend	trans	-72.5	117.4	177.6	58.4	0	0	0	0	110.3
286	Y	25.1	Very low	24.9	Very low	185 Å²	185	153.2 Å²	153.2	73%	0.725	75%	0.754	S	S	*	*	S	Bend	trans	77.6	125.1	-175.7	-56.4	-91.1	0	0	0	115.9	D284	D284-Y286 PolarHBondContact O-N 2.92Å
287	Y	24.9	Very low	24.8	Very low	199 Å²	199	154.6 Å²	154.6	78%	0.78	77%	0.765	S	S	*	*			trans	75.5	107.7	171.2	-53.3	-76.4	0	0	0	118.2
288	P	25.3	Very low	24.9	Very low	126 Å²	126	159.1 Å²	159.1	82%	0.818	78%	0.775	S	S	*	*			trans	-77.5	124.4	165.4	32	-31.6	0	0	0	110.6
289	V	24.5	Very low	24.9	Very low	123 Å²	123	152.7 Å²	152.7	75%	0.745	77%	0.772	S	S	*	*			trans	-123.9	114.1	174.7	-178	0	0	0	0	109.4
290	V	23.1	Very low	25	Very low	96 Å²	96	154.1 Å²	154.1	58%	0.582	78%	0.775	S	S	*	*			trans	-107.5	126	179.9	177.9	0	0	0	0	109.8	L281 Y292	L281-V290 HydrophobicContact CD2-CG2 4.4Å; V290-Y292 HydrophobicContact CG1-CD2 3.84Å; V290-Y292 HydrophobicContact CG1-CE2 3.8Å
291	T	24.5	Very low	25.2	Very low	130 Å²	130	151.8 Å²	151.8	80%	0.798	77%	0.771	S	S	*	*			trans	-139.5	102.2	170.2	54.4	0	0	0	0	111.3
292	Y	23.8	Very low	25.4	Very low	205 Å²	205	152.3 Å²	152.3	80%	0.804	78%	0.784	S	S	*	*			trans	-76.6	156.5	166.5	-77.2	-91.5	0	0	0	111	V290	V290-Y292 HydrophobicContact CG1-CD2 3.84Å; V290-Y292 HydrophobicContact CG1-CE2 3.8Å
293	K	25.8	Very low	25.6	Very low	209 Å²	209	150.9 Å²	150.9	91%	0.909	78%	0.782	S	S	*	*			trans	-128	124.4	178.2	-160.9	175.7	-176.4	-178.2	0	111.7
294	N	26.5	Very low	25.9	Very low	157 Å²	157	147 Å²	147	84%	0.84	78%	0.777	S	S	*	*			trans	-73	144.8	-175.3	-88.1	-27.1	0	0	0	114.8
295	T	25.9	Very low	26.5	Very low	127 Å²	127	146.7 Å²	146.7	78%	0.779	78%	0.782	S	S	*	*			trans	-173.1	141.9	130.8	39.8	0	0	0	0	109
296	T	24.6	Very low	27	Very low	132 Å²	132	147.2 Å²	147.2	81%	0.81	78%	0.783	S	S	*	*			cis	-165	123.3	-4.9	26.5	0	0	0	0	110.1
297	A	24.4	Very low	27.1	Very low	84 Å²	84	145.8 Å²	145.8	69%	0.694	79%	0.788	S	S	*	*			trans	-165.7	130.3	153.3	0	0	0	0	0	109.8
298	Y	27.2	Very low	27.1	Very low	244 Å²	244	143.5 Å²	143.5	96%	0.957	79%	0.789	S	S	*	*			trans	60	156.3	-178.3	-51.9	-84.2	0	0	0	115
299	G	24.8	Very low	27.1	Very low	67 Å²	67	143 Å²	143	69%	0.691	78%	0.783	S	S	*	*			cis	-179.4	53	-1.6	0	0	0	0	0	114.4
300	H	26.5	Very low	27.1	Very low	175 Å²	175	143.8 Å²	143.8	81%	0.81	78%	0.783	S	S	*	*			trans	70.3	155.9	175	-107.3	-98.2	0	0	0	117.9
301	N	27.7	Very low	27.1	Very low	137 Å²	137	145 Å²	145	73%	0.733	79%	0.791	S	S	*	*			trans	64.1	85.3	160.4	-54.3	-14.8	0	0	0	119.5
302	C	27.5	Very low	27	Very low	137 Å²	137	143.7 Å²	143.7	93%	0.926	79%	0.786	S	S	*	*				-161.8	155.7	109.3	-98.5	0	0	0	0	111.4
303	K	28.7	Very low	26.9	Very low	190 Å²	190	140.6 Å²	140.6	83%	0.826	78%	0.783	S	S	*	*			trans	-131	140	-176.6	-74.4	-176.7	178.3	177.9	0	111.9
304	N	31.8	Very low	26.9	Very low	153 Å²	153	139.9 Å²	139.9	82%	0.818	78%	0.78	S	S	*	*			trans	72.6	156.8	151.9	-69.4	6.8	0	0	0	119
305	P	37.9	Very low	26.8	Very low	113 Å²	113	140.3 Å²	140.3	73%	0.734	78%	0.779	S	S	*	*			trans	-136.5	-141.1	-149.8	42.9	-20.7	0	0	0	110.8
306	P	35.6	Very low	26.8	Very low	102 Å²	102	140.6 Å²	140.6	66%	0.662	78%	0.783	S	S	*	*			cis	-119.6	133.6	-49.1	26.3	-9.9	0	0	0	111.8
307	N	27.2	Very low	26.9	Very low	156 Å²	156	143.9 Å²	143.9	83%	0.834	79%	0.786	S	S	*	*			trans	172.4	145.3	145.8	-95.6	-32.5	0	0	0	112
308	L	26.8	Very low	27	Very low	151 Å²	151	143.8 Å²	143.8	79%	0.791	79%	0.793	S	S	*	*			trans	62.1	155.8	-178.7	-77.7	77.4	0	0	0	115.8
309	T	25.3	Very low	27	Very low	115 Å²	115	140.8 Å²	140.8	71%	0.706	79%	0.785	S	S	*	*			trans	31	134.7	151.6	54	0	0	0	0	119.8
310	D	23.3	Very low	27.1	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	79%	0.79	S	S	*	*			cis	-143.7	164.8	42.4	-84.9	-60.7	0	0	0	115	C312	D310-C312 PolarHBondContact O-N 3.19Å
311	V	22.9	Very low	27.1	Very low	122 Å²	122	144.8 Å²	144.8	74%	0.739	79%	0.79	S	S	*	*			trans	-78.5	107	161.9	177	0	0	0	0	108.4	N313	V311-N313 VanDerWaalsContact C-N 3.32Å; V311-N313 PolarHBondContact O-N 3.4Å
312	C	22.6	Very low	27.1	Very low	102 Å²	102	144 Å²	144	69%	0.689	79%	0.792	S	S	*	*			trans	-70.7	84.1	176.1	-64.8	0	0	0	0	111.7	D310 F314	D310-C312 PolarHBondContact O-N 3.19Å; C312-F314 HydrophobicContact CB-CD2 4.45Å; C312-F314 HydrophobicContact CB-CE2 4.25Å; C312-F314 PolarHBondContact O-N 3.17Å
313	N	22.2	Very low	27	Very low	140 Å²	140	142 Å²	142	75%	0.749	78%	0.779	S	S	*	*			trans	-62.4	100.8	167.1	-73.4	-31.4	0	0	0	110.1	V311 M315	V311-N313 VanDerWaalsContact C-N 3.32Å; V311-N313 PolarHBondContact O-N 3.4Å; N313-M315 PolarHBondContact O-N 2.78Å
314	F	25.1	Very low	26.8	Very low	194 Å²	194	137.3 Å²	137.3	85%	0.851	77%	0.77	S	S	*	*			trans	-74.4	115.8	169.8	-88.7	-92	0	0	0	109.9	C312	C312-F314 HydrophobicContact CB-CD2 4.45Å; C312-F314 HydrophobicContact CB-CE2 4.25Å; C312-F314 PolarHBondContact O-N 3.17Å
315	M	24.6	Very low	26.6	Very low	165 Å²	165	138.5 Å²	138.5	81%	0.813	77%	0.77	S	S	*	*			trans	-70.1	140.5	175.9	-66.4	-175.4	175.8	0	0	110.5	N313 K317	N313-M315 PolarHBondContact O-N 2.78Å; M315-K317 PolarHBondContact O-N 2.97Å
316	P	25.9	Very low	26.2	Very low	133 Å²	133	138.8 Å²	138.8	86%	0.864	77%	0.77	S	S	*	*	S	Bend	trans	-76.9	28.7	-171.1	32.5	-38.1	0	0	0	114.7
317	K	26.9	Very low	25.8	Very low	201 Å²	201	142.4 Å²	142.4	87%	0.874	78%	0.784	S	S	*	*			trans	-145.8	101.2	179.1	-64.7	-166.6	176.6	-167.4	0	111.2	M315	M315-K317 PolarHBondContact O-N 2.97Å
318	G	26	Very low	25.8	Very low	82 Å²	82	137.3 Å²	137.3	85%	0.845	77%	0.768	S	S	*	*			trans	-170.5	123.7	177.8	0	0	0	0	0	112.5
319	K	27.6	Very low	25.9	Very low	182 Å²	182	137.2 Å²	137.2	79%	0.791	77%	0.774	S	S	*	*			trans	-82.9	158.3	-165.3	-69.7	-179.2	168.5	-168.1	0	115.8
320	E	27.1	Very low	26	Very low	169 Å²	169	137.8 Å²	137.8	79%	0.79	77%	0.772	S	S	*	*			trans	70.6	119.6	147.8	-75.3	159.4	-132.1	0	0	120.7
321	I	26.5	Very low	26.2	Very low	157 Å²	157	138.9 Å²	138.9	81%	0.805	78%	0.776	S	S	*	*			trans	-146.9	158.6	160.6	-5.6	176.8	0	0	0	107.9
322	P	27.7	Very low	26.5	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	78%	0.775	S	S	*	*				-104.8	154.3	-99.3	36.6	-27.2	0	0	0	114
323	S	25	Very low	26.8	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-92.2	127.9	175.9	55.1	0	0	0	0	112.7
324	C	25.7	Very low	26.9	Very low	92 Å²	92	137.1 Å²	137.1	62%	0.622	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-78.4	126.6	167.1	-63.9	0	0	0	0	110.4
325	H	26.1	Very low	27	Very low	179 Å²	179	134.3 Å²	134.3	83%	0.829	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-84.6	130.8	172	-88.1	-61.8	0	0	0	111.3
326	T	29.5	Very low	27.1	Very low	119 Å²	119	132 Å²	132	73%	0.73	75%	0.747	S	S	*	*			trans	-133.8	136.3	156.7	52.4	0	0	0	0	108.7	G328	T326-G328 PolarHBondContact O-N 3.05Å
327	D	28.3	Very low	27.3	Very low	178 Å²	178	131 Å²	131	95%	0.952	74%	0.738	S	S	*	*	S	Bend	trans	-68.8	111.8	-173.7	-61.9	-59.1	0	0	0	112.3
328	G	25.9	Very low	27.2	Very low	48 Å²	48	126.3 Å²	126.3	50%	0.495	73%	0.729	S	S	.	*	S	Bend	trans	147.3	60	172	0	0	0	0	0	117.1	T326 N330	T326-G328 PolarHBondContact O-N 3.05Å; G328-N330 PolarHBondContact O-N 2.55Å
329	T	29.6	Very low	27.3	Very low	150 Å²	150	133.3 Å²	133.3	92%	0.92	73%	0.73	S	S	*	*	S	Bend	trans	53.7	-8	162.4	56.1	0	0	0	0	120.8
330	N	28.5	Very low	27.3	Very low	127 Å²	127	132.3 Å²	132.3	68%	0.679	73%	0.726	S	S	*	*			trans	-111.6	134.5	176.2	-70.6	-42.4	0	0	0	110.3	G328	G328-N330 PolarHBondContact O-N 2.55Å
331	I	27.4	Very low	27.5	Very low	162 Å²	162	132.8 Å²	132.8	83%	0.831	73%	0.728	S	S	*	*			trans	-107.2	104.3	178.6	-56.7	174.2	0	0	0	107.9
332	E	28.5	Very low	27.8	Very low	154 Å²	154	128.4 Å²	128.4	72%	0.72	71%	0.706	S	S	*	*			trans	-103	135	174.8	-66.9	-167.7	151	0	0	111.2
333	P	28.4	Very low	28.3	Very low	76 Å²	76	127.3 Å²	127.3	49%	0.494	70%	0.699	S	S	.	*			trans	-76.7	124.4	170.8	30.9	-32	0	0	0	110.4	F335	P333-F335 PolarHBondContact O-N 2.89Å
334	C	25.1	Very low	28.8	Very low	98 Å²	98	128.5 Å²	128.5	66%	0.662	69%	0.694	S	S	*	*			trans	-76.7	106.4	-177	-56.1	0	0	0	0	112.4
335	F	26	Very low	29.3	Very low	134 Å²	134	128.3 Å²	128.3	59%	0.588	69%	0.687	S	S	*	*			trans	-113.8	132.1	160.6	-88.9	-81.4	0	0	0	110.6	P333 V337	P333-F335 PolarHBondContact O-N 2.89Å; F335-V337 PolarHBondContact O-N 3.34Å
336	P	27.9	Very low	29.8	Very low	117 Å²	117	125.2 Å²	125.2	76%	0.76	68%	0.676	S	S	*	*			trans	-78	83.6	178.6	32.3	-34.5	0	0	0	110.8	C338	P336-C338 PolarHBondContact O-N 2.94Å; P336-C338 VanDerWaalsContact O-N 3.09Å
337	V	29.5	Very low	30.5	Very low	111 Å²	111	121.8 Å²	121.8	67%	0.673	65%	0.651	S	S	*	*			trans	-55.3	116.9	173.8	-179.1	0	0	0	0	109.8	F335 R339	F335-V337 PolarHBondContact O-N 3.34Å; V337-R339 PolarHBondContact O-N 2.96Å
338	C	25.9	Very low	30.9	Very low	103 Å²	103	116.4 Å²	116.4	70%	0.696	62%	0.622	S	S	*	*			trans	-62.8	95.2	-178.1	-62.8	0	0	0	0	111.2	P336 K340	P336-C338 PolarHBondContact O-N 2.94Å; P336-C338 VanDerWaalsContact O-N 3.09Å; C338-K340 PolarHBondContact O-N 3.1Å
339	R	26.6	Very low	31.6	Very low	230 Å²	230	121.3 Å²	121.3	87%	0.868	63%	0.626	S	S	*	*			trans	-70.8	129.5	176	-69.4	-176.3	177.9	179.8	0.1	110.2	V337	V337-R339 PolarHBondContact O-N 2.96Å
340	K	28.7	Very low	32.2	Very low	161 Å²	161	118.8 Å²	118.8	70%	0.7	60%	0.603	S	S	*	*	S	Bend	trans	73.5	116.2	-175.7	-47.4	171.1	-178.3	179.7	0	112.9	C338	C338-K340 PolarHBondContact O-N 3.1Å
341	H	31.1	Very low	33	Very low	178 Å²	178	114.5 Å²	114.5	82%	0.824	58%	0.58	S	S	*	*	S	Bend		177.2	-11.3	103.5	-94.3	-67.3	0	0	0	113.1
342	D	33.4	Very low	33.6	Very low	65 Å²	65	108 Å²	108	35%	0.348	55%	0.552	S	S	.	*			trans	-99.9	122.9	172.6	-165.7	-27.9	0	0	0	111.4	Q344 L345 N346	D342-Q344 PolarHBondContact O-N 3.41Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.45Å; D342-Q344 PolarHBondContact OD1-N 2.95Å; D342-L345 HydrophobicContact CB-CB 4.17Å; D342-L345 HydrophobicContact CB-CD1 3.88Å; D342-L345 HydrophobicContact CB-CG 3.92Å; D342-L345 PolarHBondContact O-N 3.45Å; D342-N346 PolarHBondContact O-ND2 2.84Å
343	P	37.1	Very low	34.5	Very low	97 Å²	97	105.6 Å²	105.6	63%	0.63	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-54.6	-37.2	170.4	-26.4	36.3	0	0	0	113.9	L345 N346	P343-L345 VanDerWaalsContact C-N 3.35Å; P343-L345 PolarHBondContact O-N 3.3Å; P343-N346 WeakPolarHBondContact CA-ND2 3.33Å; P343-N346 PolarHBondContact O-ND2 2.68Å
344	Q	35.5	Very low	35.6	Very low	120 Å²	120	107 Å²	107	56%	0.561	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-73.8	-23.8	-173.1	-55.8	-176.8	-2.5	0	0	112.9	D342 H347	D342-Q344 PolarHBondContact O-N 3.41Å; D342-Q344 WeakPolarHBondContact OD1-CB 3.45Å; D342-Q344 PolarHBondContact OD1-N 2.95Å; Q344-H347 PolarHBondContact O-CD2 2.85Å
345	L	36.3	Very low	37	Very low	88 Å²	88	105.8 Å²	105.8	46%	0.461	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-92.5	-5.5	-177.4	-59.8	177.7	0	0	0	114	D342 P343 H347 I348	D342-L345 HydrophobicContact CB-CB 4.17Å; D342-L345 HydrophobicContact CB-CD1 3.88Å; D342-L345 HydrophobicContact CB-CG 3.92Å; D342-L345 PolarHBondContact O-N 3.45Å; P343-L345 VanDerWaalsContact C-N 3.35Å; P343-L345 PolarHBondContact O-N 3.3Å; L345-H347 PolarHBondContact O-N 3.02Å; L345-H347 VanDerWaalsContact O-N 3.08Å; L345-I348 HydrophobicContact CB-CD1 4.24Å; L345-I348 HydrophobicContact CD2-CD1 3.89Å; L345-I348 PolarHBondContact O-N 3.03Å
346	N	36.1	Very low	38.1	Very low	113 Å²	113	104.5 Å²	104.5	60%	0.604	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-66.4	-9.5	179.3	-71.1	-56.6	0	0	0	114.4	D342 P343	D342-N346 PolarHBondContact O-ND2 2.84Å; P343-N346 WeakPolarHBondContact CA-ND2 3.33Å; P343-N346 PolarHBondContact O-ND2 2.68Å
347	H	43.8	Very low	39.3	Very low	47 Å²	47	106.6 Å²	106.6	22%	0.218	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-90.2	-1.9	-177.2	-53.3	-69.5	0	0	0	113.7	Q344 L345 F374 I375	Q344-H347 PolarHBondContact O-CD2 2.85Å; L345-H347 PolarHBondContact O-N 3.02Å; L345-H347 VanDerWaalsContact O-N 3.08Å; H347-F374 WeakPolarHBondContact O-CA 3.15Å; H347-I375 PolarHBondContact O-N 3.49Å
348	I	37.2	Very low	40.6	Very low	65 Å²	65	104.5 Å²	104.5	33%	0.333	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.8	-178.3	-72.4	172.3	0	0	0	111.3	L345 I375 F377	L345-I348 HydrophobicContact CB-CD1 4.24Å; L345-I348 HydrophobicContact CD2-CD1 3.89Å; L345-I348 PolarHBondContact O-N 3.03Å; I348-I375 HydrophobicContact CG1-CB 4.28Å; I348-I375 HydrophobicContact CG1-CD1 3.94Å; I348-I375 HydrophobicContact CG1-CG1 4.45Å; I348-F377 HydrophobicContact CG2-CE2 3.97Å
349	R	41.4	Very low	42	Very low	152 Å²	152	101 Å²	101	57%	0.574	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	118.4	171.6	-69.2	-165.1	-179	-159.1	5.7	113.1	F374 I375 F377	R349-F374 HydrophobicContact CG-CD1 4.22Å; R349-I375 PolarHBondContact N-O 3.01Å; R349-I375 VanDerWaalsContact O-O 3.12Å; R349-F377 PolarHBondContact O-N 3.14Å
350	H	41.8	Very low	43.3	Very low	96 Å²	96	93.9 Å²	93.9	44%	0.444	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.6	166.2	-169.4	-90.2	0	0	0	110.2	S379	H350-S379 PolarHBondContact NE2-OG 3.29Å
351	L	44.8	Very low	44.9	Very low	38 Å²	38	89.1 Å²	89.1	20%	0.199	43%	0.433	C	S	.	.			trans	-117.1	-7	-175.8	-63.1	-173.5	0	0	0	115	R354 L359 I362 L376 F377	L351-R354 HydrophobicContact CB-CG 3.82Å; L351-R354 HydrophobicContact CD1-CG 4.02Å; L351-R354 PolarHBondContact O-NE 3.35Å; L351-R354 VanDerWaalsContact O-NE 3.13Å; L351-R354 PolarHBondContact O-NH2 3.5Å; L351-L359 HydrophobicContact CD1-CD2 3.8Å; L351-I362 HydrophobicContact CD1-CD1 3.87Å; L351-L376 HydrophobicContact CD1-CB 3.75Å; L351-L376 HydrophobicContact CD1-CD1 4.2Å; L351-L376 HydrophobicContact CD1-CD2 4Å; L351-L376 HydrophobicContact CD1-CG 4.18Å; L351-L376 HydrophobicContact CD2-CD2 4.48Å; L351-L376 HydrophobicContact CG-CB 4.39Å; L351-L376 HydrophobicContact CG-CD2 4.44Å; L351-F377 PolarHBondContact N-O 3.04Å; L351-F377 VanDerWaalsContact N-O 3.12Å
352	G	40.9	Very low	46.2	Very low	24 Å²	24	83.6 Å²	83.6	25%	0.247	41%	0.409	C	S	.	.			trans	66.1	-174	-159.9	0	0	0	0	0	112	R354 P378	G352-R354 PolarHBondContact O-N 3.31Å; G352-P378 WeakPolarHBondContact O-CA 3.42Å
353	H	46	Very low	47.2	Very low	105 Å²	105	84.2 Å²	84.2	49%	0.486	41%	0.41	S	S	.	.	S	Bend	trans	-61.6	119.3	178.8	179	-68.7	0	0	0	111.4
354	R	53.1	Low	48.2	Very low	105 Å²	105	82.4 Å²	82.4	40%	0.396	40%	0.399	S	S	.	.			trans	-126.1	145.3	176	-63.7	-65.8	161.9	-172.7	-5.9	110.4	L351 G352 E358 L359	L351-R354 HydrophobicContact CB-CG 3.82Å; L351-R354 HydrophobicContact CD1-CG 4.02Å; L351-R354 PolarHBondContact O-NE 3.35Å; L351-R354 VanDerWaalsContact O-NE 3.13Å; L351-R354 PolarHBondContact O-NH2 3.5Å; G352-R354 PolarHBondContact O-N 3.31Å; R354-E358 HydrophobicContact CB-CB 4.25Å; R354-E358 VanDerWaalsContact CD-OE1 3.23Å; R354-E358 WeakPolarHBondContact CD-OE1 3.29Å; R354-E358 IonicContact CZ-OE1 3.29Å; R354-E358 IonicContact NH1-OE1 3.99Å; R354-E358 PolarHBondContact NH1-OE1 2.9Å; R354-L359 HydrophobicContact CB-CD2 3.87Å; R354-L359 HydrophobicContact CB-CG 4.02Å; R354-L359 HydrophobicContact CG-CD2 4.39Å
355	T	54.1	Low	49.3	Very low	72 Å²	72	82.7 Å²	82.7	44%	0.442	40%	0.399	S	S	.	.			trans	-70.2	151.1	170.3	61.6	0	0	0	0	110.6	K357 E358 L359	T355-K357 PolarHBondContact O-N 2.02Å; T355-K357 VanDerWaalsContact O-N 3.12Å; T355-E358 WeakPolarHBondContact CB-OE2 3.48Å; T355-E358 PolarHBondContact N-OE2 3.24Å; T355-E358 WeakPolarHBondContact O-CB 3.48Å; T355-E358 PolarHBondContact O-N 2.93Å; T355-E358 WeakPolarHBondContact OG1-CG 3.32Å; T355-E358 PolarHBondContact OG1-N 3.38Å; T355-E358 PolarHBondContact OG1-OE2 3.22Å; T355-L359 PolarHBondContact O-N 3.35Å; T355-L359 VanDerWaalsContact O-N 3.11Å
356	R	49.7	Very low	50	Low	108 Å²	108	78.9 Å²	78.9	41%	0.408	38%	0.379	S	S	.	.	H	α-helix	trans	-47.2	-42.5	174.4	176.5	173.4	168.4	145.6	10.3	112.7	E358 L359 E360	R356-E358 PolarHBondContact O-N 2.83Å; R356-L359 WeakPolarHBondContact O-CB 3.43Å; R356-L359 PolarHBondContact O-N 3.4Å; R356-E360 HydrophobicContact CG-CG 4.34Å; R356-E360 WeakPolarHBondContact CG-OE1 3.05Å; R356-E360 IonicContact CZ-OE1 3.91Å; R356-E360 IonicContact NE-OE1 2.55Å; R356-E360 PolarHBondContact NE-OE1 3.04Å; R356-E360 IonicContact NH2-OE1 3.05Å; R356-E360 PolarHBondContact NH2-OE1 2.99Å; R356-E360 VanDerWaalsContact NH2-OE1 3.07Å; R356-E360 WeakPolarHBondContact O-CG 3.16Å; R356-E360 PolarHBondContact O-N 3.17Å
357	K	52.4	Low	50.6	Low	160 Å²	160	77.9 Å²	77.9	70%	0.696	38%	0.381	S	S	*	.	H	α-helix	trans	-66.8	-32.9	178.7	-169.4	174.4	-176.8	177.2	0	113.8	T355 T361	T355-K357 PolarHBondContact O-N 2.02Å; T355-K357 VanDerWaalsContact O-N 3.12Å; K357-T361 WeakPolarHBondContact O-CB 3.24Å; K357-T361 PolarHBondContact O-N 3.1Å; K357-T361 VanDerWaalsContact O-N 3.11Å; K357-T361 PolarHBondContact O-OG1 2.87Å
358	E	56.1	Low	50.8	Low	67 Å²	67	82.8 Å²	82.8	31%	0.313	41%	0.405	S	S	.	.	H	α-helix	trans	-68.2	-41.8	171.3	-75.9	164.8	96.1	0	0	111	R354 T355 R356 T361 I362	R354-E358 HydrophobicContact CB-CB 4.25Å; R354-E358 VanDerWaalsContact CD-OE1 3.23Å; R354-E358 WeakPolarHBondContact CD-OE1 3.29Å; R354-E358 IonicContact CZ-OE1 3.29Å; R354-E358 IonicContact NH1-OE1 3.99Å; R354-E358 PolarHBondContact NH1-OE1 2.9Å; T355-E358 WeakPolarHBondContact CB-OE2 3.48Å; T355-E358 PolarHBondContact N-OE2 3.24Å; T355-E358 WeakPolarHBondContact O-CB 3.48Å; T355-E358 PolarHBondContact O-N 2.93Å; T355-E358 WeakPolarHBondContact OG1-CG 3.32Å; T355-E358 PolarHBondContact OG1-N 3.38Å; T355-E358 PolarHBondContact OG1-OE2 3.22Å; R356-E358 PolarHBondContact O-N 2.83Å; E358-T361 WeakPolarHBondContact O-CB 3.5Å; E358-T361 PolarHBondContact O-N 3.17Å; E358-I362 WeakPolarHBondContact O-CD1 3.42Å; E358-I362 VanDerWaalsContact O-CG1 3.23Å; E358-I362 WeakPolarHBondContact O-CG1 3.1Å; E358-I362 PolarHBondContact O-N 2.88Å
359	L	54.9	Low	51.2	Low	29 Å²	29	86.8 Å²	86.8	15%	0.152	42%	0.422	C	S	.	.	H	α-helix	trans	-62.3	-52	178	-60.7	165.8	0	0	0	110.9	L351 R354 T355 R356 T361 I362 E363 L376 P378	L351-L359 HydrophobicContact CD1-CD2 3.8Å; R354-L359 HydrophobicContact CB-CD2 3.87Å; R354-L359 HydrophobicContact CB-CG 4.02Å; R354-L359 HydrophobicContact CG-CD2 4.39Å; T355-L359 PolarHBondContact O-N 3.35Å; T355-L359 VanDerWaalsContact O-N 3.11Å; R356-L359 WeakPolarHBondContact O-CB 3.43Å; R356-L359 PolarHBondContact O-N 3.4Å; L359-T361 PolarHBondContact O-N 3.1Å; L359-I362 PolarHBondContact O-N 3.2Å; L359-E363 PolarHBondContact O-N 3.04Å; L359-L376 HydrophobicContact CD2-CB 3.94Å; L359-L376 HydrophobicContact CD2-CD1 4.09Å; L359-P378 HydrophobicContact CD1-CG 3.54Å; L359-P378 HydrophobicContact CD2-CG 4.03Å; L359-P378 HydrophobicContact CG-CG 4.39Å
360	E	55.3	Low	50.9	Low	82 Å²	82	83 Å²	83	38%	0.383	43%	0.43	S	S	.	.	H	α-helix	trans	-55.6	-35.8	174.9	-69.5	164.8	159.2	0	0	111.5	R356 S364	R356-E360 HydrophobicContact CG-CG 4.34Å; R356-E360 WeakPolarHBondContact CG-OE1 3.05Å; R356-E360 IonicContact CZ-OE1 3.91Å; R356-E360 IonicContact NE-OE1 2.55Å; R356-E360 PolarHBondContact NE-OE1 3.04Å; R356-E360 IonicContact NH2-OE1 3.05Å; R356-E360 PolarHBondContact NH2-OE1 2.99Å; R356-E360 VanDerWaalsContact NH2-OE1 3.07Å; R356-E360 WeakPolarHBondContact O-CG 3.16Å; R356-E360 PolarHBondContact O-N 3.17Å; E360-S364 WeakPolarHBondContact O-CB 3.34Å; E360-S364 PolarHBondContact O-N 3.04Å
361	T	61.4	Low	50.6	Low	61 Å²	61	80.5 Å²	80.5	37%	0.374	42%	0.421	S	S	.	.	H	α-helix	trans	-71.7	-33.8	175.2	-59.4	0	0	0	0	113	K357 E358 L359 K365	K357-T361 WeakPolarHBondContact O-CB 3.24Å; K357-T361 PolarHBondContact O-N 3.1Å; K357-T361 VanDerWaalsContact O-N 3.11Å; K357-T361 PolarHBondContact O-OG1 2.87Å; E358-T361 WeakPolarHBondContact O-CB 3.5Å; E358-T361 PolarHBondContact O-N 3.17Å; L359-T361 PolarHBondContact O-N 3.1Å; T361-K365 HydrophobicContact CG2-CD 4.28Å; T361-K365 WeakPolarHBondContact O-CG 3.49Å; T361-K365 PolarHBondContact O-N 3.27Å
362	I	57.9	Low	50.2	Low	61 Å²	61	81.9 Å²	81.9	31%	0.313	43%	0.432	S	S	.	.	H	α-helix	trans	-77.2	-44.2	178.5	-66.1	161.2	0	0	0	110.1	L351 E358 L359 S364 K365 A366 L376	L351-I362 HydrophobicContact CD1-CD1 3.87Å; E358-I362 WeakPolarHBondContact O-CD1 3.42Å; E358-I362 VanDerWaalsContact O-CG1 3.23Å; E358-I362 WeakPolarHBondContact O-CG1 3.1Å; E358-I362 PolarHBondContact O-N 2.88Å; L359-I362 PolarHBondContact O-N 3.2Å; I362-S364 PolarHBondContact O-N 3.19Å; I362-K365 PolarHBondContact O-N 3.06Å; I362-A366 VanDerWaalsContact O-CB 3.23Å; I362-A366 WeakPolarHBondContact O-CB 3.45Å; I362-A366 PolarHBondContact O-N 2.89Å; I362-L376 HydrophobicContact CB-CD1 3.74Å; I362-L376 HydrophobicContact CG2-CD1 3.56Å; I362-L376 HydrophobicContact CG2-CD2 3.8Å; I362-L376 HydrophobicContact CG2-CG 4.35Å
363	E	55.3	Low	50.2	Low	79 Å²	79	85.4 Å²	85.4	37%	0.369	45%	0.451	S	S	.	.	H	α-helix	trans	-58.9	-45.7	173.3	-69.5	-175.4	133.7	0	0	111.4	L359 K365 A366 S367 L376	L359-E363 PolarHBondContact O-N 3.04Å; E363-K365 PolarHBondContact O-N 2.96Å; E363-A366 PolarHBondContact O-N 2.84Å; E363-S367 WeakPolarHBondContact O-CB 3.46Å; E363-S367 PolarHBondContact O-N 3.25Å; E363-L376 HydrophobicContact CG-CD1 3.74Å
364	S	58.3	Low	49.7	Very low	59 Å²	59	82.2 Å²	82.2	41%	0.413	44%	0.436	S	S	.	.	H	α-helix	trans	-55.4	-50.4	175.1	173	0	0	0	0	112.2	E360 I362 A366 Q368	E360-S364 WeakPolarHBondContact O-CB 3.34Å; E360-S364 PolarHBondContact O-N 3.04Å; I362-S364 PolarHBondContact O-N 3.19Å; S364-A366 PolarHBondContact O-N 2.98Å; S364-Q368 VanDerWaalsContact O-CG 3.28Å; S364-Q368 WeakPolarHBondContact O-CG 3.21Å; S364-Q368 PolarHBondContact O-N 3.47Å
365	K	58.1	Low	49.1	Very low	126 Å²	126	78.5 Å²	78.5	55%	0.548	42%	0.423	S	S	.	.	H	α-helix	trans	-70.7	-29.6	180	-72.4	174.8	-179.7	178.3	0	113.5	T361 I362 E363 Q369	T361-K365 HydrophobicContact CG2-CD 4.28Å; T361-K365 WeakPolarHBondContact O-CG 3.49Å; T361-K365 PolarHBondContact O-N 3.27Å; I362-K365 PolarHBondContact O-N 3.06Å; E363-K365 PolarHBondContact O-N 2.96Å; K365-Q369 WeakPolarHBondContact O-CG 3.1Å
366	A	50.9	Low	48.5	Very low	7 Å²	7	75.9 Å²	75.9	6%	0.058	41%	0.407	C	S	.	.	H	α-helix	trans	-70.7	-46.5	174.8	0	0	0	0	0	112.1	I362 E363 S364 Q368 Q369 F374	I362-A366 VanDerWaalsContact O-CB 3.23Å; I362-A366 WeakPolarHBondContact O-CB 3.45Å; I362-A366 PolarHBondContact O-N 2.89Å; E363-A366 PolarHBondContact O-N 2.84Å; S364-A366 PolarHBondContact O-N 2.98Å; A366-Q368 PolarHBondContact O-N 3.49Å; A366-Q369 PolarHBondContact O-N 3.25Å; A366-F374 HydrophobicContact CB-CD2 3.36Å; A366-F374 HydrophobicContact CB-CE2 3.45Å; A366-F374 VanDerWaalsContact CB-CE2 3.45Å; A366-F374 HydrophobicContact CB-CG 4.47Å
367	S	49.4	Very low	48.3	Very low	92 Å²	92	72.1 Å²	72.1	64%	0.643	39%	0.394	S	S	*	.	H	α-helix	trans	-61.5	-35.3	177.7	-166.4	0	0	0	0	111.4	E363 Q369 G370	E363-S367 WeakPolarHBondContact O-CB 3.46Å; E363-S367 PolarHBondContact O-N 3.25Å; S367-Q369 PolarHBondContact O-N 3.01Å; S367-G370 PolarHBondContact O-N 2.99Å
368	Q	47.3	Very low	47.8	Very low	151 Å²	151	64.8 Å²	64.8	71%	0.706	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.3	172.8	-74.4	170.9	-4.7	0	0	114.5	S364 A366	S364-Q368 VanDerWaalsContact O-CG 3.28Å; S364-Q368 WeakPolarHBondContact O-CG 3.21Å; S364-Q368 PolarHBondContact O-N 3.47Å; A366-Q368 PolarHBondContact O-N 3.49Å
369	Q	45.3	Very low	47.3	Very low	149 Å²	149	63 Å²	63	70%	0.696	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	8.9	177.9	-68.6	-179.3	-3.4	0	0	113.2	K365 A366 S367 V371	K365-Q369 WeakPolarHBondContact O-CG 3.1Å; A366-Q369 PolarHBondContact O-N 3.25Å; S367-Q369 PolarHBondContact O-N 3.01Å; Q369-V371 HydrophobicContact CB-CG2 4.03Å; Q369-V371 PolarHBondContact O-N 2.88Å
370	G	35.7	Very low	46.9	Very low	72 Å²	72	67.1 Å²	67.1	74%	0.742	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	15.4	-178.9	0	0	0	0	0	114	S367	S367-G370 PolarHBondContact O-N 2.99Å
371	V	35.6	Very low	46.2	Very low	44 Å²	44	72.4 Å²	72.4	27%	0.267	39%	0.387	S	S	.	.			trans	-88.1	135.1	177.3	-167.2	0	0	0	0	108.8	Q369 F374	Q369-V371 HydrophobicContact CB-CG2 4.03Å; Q369-V371 PolarHBondContact O-N 2.88Å; V371-F374 HydrophobicContact CB-CD2 4.39Å; V371-F374 HydrophobicContact CB-CE2 3.67Å; V371-F374 HydrophobicContact CB-CZ 4.37Å; V371-F374 HydrophobicContact CG1-CD2 4.04Å; V371-F374 HydrophobicContact CG1-CE2 3.44Å; V371-F374 VanDerWaalsContact CG1-CE2 3.44Å; V371-F374 HydrophobicContact CG1-CZ 3.87Å; V371-F374 HydrophobicContact CG2-CE2 4.12Å; V371-F374 HydrophobicContact CG2-CZ 4.48Å
372	P	36.8	Very low	45.4	Very low	66 Å²	66	74.9 Å²	74.9	43%	0.429	39%	0.394	S	S	.	.			trans	-50.5	150.3	169	-28	35.9	0	0	0	111.8	F374	P372-F374 PolarHBondContact O-N 3.3Å
373	P	39.9	Very low	44.4	Very low	99 Å²	99	81.6 Å²	81.6	64%	0.643	42%	0.424	S	S	*	.			trans	-52.6	115.9	-174.7	20.7	-32.9	0	0	0	110.4	I375	P373-I375 PolarHBondContact O-N 3.21Å
374	F	37.2	Very low	43.5	Very low	38 Å²	38	87.2 Å²	87.2	17%	0.167	45%	0.45	C	S	.	.			trans	-62.7	137.1	179.4	-77.6	-112	0	0	0	108.7	H347 R349 A366 V371 P372 L376	H347-F374 WeakPolarHBondContact O-CA 3.15Å; R349-F374 HydrophobicContact CG-CD1 4.22Å; A366-F374 HydrophobicContact CB-CD2 3.36Å; A366-F374 HydrophobicContact CB-CE2 3.45Å; A366-F374 VanDerWaalsContact CB-CE2 3.45Å; A366-F374 HydrophobicContact CB-CG 4.47Å; V371-F374 HydrophobicContact CB-CD2 4.39Å; V371-F374 HydrophobicContact CB-CE2 3.67Å; V371-F374 HydrophobicContact CB-CZ 4.37Å; V371-F374 HydrophobicContact CG1-CD2 4.04Å; V371-F374 HydrophobicContact CG1-CE2 3.44Å; V371-F374 VanDerWaalsContact CG1-CE2 3.44Å; V371-F374 HydrophobicContact CG1-CZ 3.87Å; V371-F374 HydrophobicContact CG2-CE2 4.12Å; V371-F374 HydrophobicContact CG2-CZ 4.48Å; P372-F374 PolarHBondContact O-N 3.3Å; F374-L376 VanDerWaalsContact C-N 3.3Å; F374-L376 HydrophobicContact CB-CD2 3.42Å; F374-L376 VanDerWaalsContact CB-CD2 3.42Å; F374-L376 HydrophobicContact CB-CG 4.09Å; F374-L376 HydrophobicContact CG-CD2 4.29Å; F374-L376 PolarHBondContact O-N 2.87Å
375	I	39.8	Very low	42.6	Very low	26 Å²	26	85.2 Å²	85.2	13%	0.133	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	89.3	172.4	-46.6	-178.8	0	0	0	106.8	H347 I348 R349 P373 F377 M394 F400	H347-I375 PolarHBondContact O-N 3.49Å; I348-I375 HydrophobicContact CG1-CB 4.28Å; I348-I375 HydrophobicContact CG1-CD1 3.94Å; I348-I375 HydrophobicContact CG1-CG1 4.45Å; R349-I375 PolarHBondContact N-O 3.01Å; R349-I375 VanDerWaalsContact O-O 3.12Å; P373-I375 PolarHBondContact O-N 3.21Å; I375-F377 HydrophobicContact CB-CE2 3.92Å; I375-F377 HydrophobicContact CB-CZ 4.28Å; I375-F377 HydrophobicContact CG2-CD2 4.18Å; I375-F377 HydrophobicContact CG2-CE1 4.06Å; I375-F377 HydrophobicContact CG2-CE2 3.36Å; I375-F377 HydrophobicContact CG2-CZ 3.3Å; I375-F377 VanDerWaalsContact O-CD2 3.3Å; I375-F377 WeakPolarHBondContact O-CD2 3.22Å; I375-F377 WeakPolarHBondContact O-CE2 3.19Å; I375-M394 HydrophobicContact CG2-CE 3.53Å; I375-F400 HydrophobicContact CG2-CZ 4.35Å
376	L	41.7	Very low	41.8	Very low	17 Å²	17	83.1 Å²	83.1	9%	0.089	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.8	179.6	-54.1	-174.1	0	0	0	109.3	L351 L359 I362 E363 F374 P378	L351-L376 HydrophobicContact CD1-CB 3.75Å; L351-L376 HydrophobicContact CD1-CD1 4.2Å; L351-L376 HydrophobicContact CD1-CD2 4Å; L351-L376 HydrophobicContact CD1-CG 4.18Å; L351-L376 HydrophobicContact CD2-CD2 4.48Å; L351-L376 HydrophobicContact CG-CB 4.39Å; L351-L376 HydrophobicContact CG-CD2 4.44Å; L359-L376 HydrophobicContact CD2-CB 3.94Å; L359-L376 HydrophobicContact CD2-CD1 4.09Å; I362-L376 HydrophobicContact CB-CD1 3.74Å; I362-L376 HydrophobicContact CG2-CD1 3.56Å; I362-L376 HydrophobicContact CG2-CD2 3.8Å; I362-L376 HydrophobicContact CG2-CG 4.35Å; E363-L376 HydrophobicContact CG-CD1 3.74Å; F374-L376 VanDerWaalsContact C-N 3.3Å; F374-L376 HydrophobicContact CB-CD2 3.42Å; F374-L376 VanDerWaalsContact CB-CD2 3.42Å; F374-L376 HydrophobicContact CB-CG 4.09Å; F374-L376 HydrophobicContact CG-CD2 4.29Å; F374-L376 PolarHBondContact O-N 2.87Å; L376-P378 WeakPolarHBondContact O-CD 3.15Å
377	F	44.5	Very low	41.5	Very low	30 Å²	30	83.3 Å²	83.3	13%	0.132	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.7	177.9	-62.5	-91.9	0	0	0	112.2	I348 R349 L351 I375 V388 F400	I348-F377 HydrophobicContact CG2-CE2 3.97Å; R349-F377 PolarHBondContact O-N 3.14Å; L351-F377 PolarHBondContact N-O 3.04Å; L351-F377 VanDerWaalsContact N-O 3.12Å; I375-F377 HydrophobicContact CB-CE2 3.92Å; I375-F377 HydrophobicContact CB-CZ 4.28Å; I375-F377 HydrophobicContact CG2-CD2 4.18Å; I375-F377 HydrophobicContact CG2-CE1 4.06Å; I375-F377 HydrophobicContact CG2-CE2 3.36Å; I375-F377 HydrophobicContact CG2-CZ 3.3Å; I375-F377 VanDerWaalsContact O-CD2 3.3Å; I375-F377 WeakPolarHBondContact O-CD2 3.22Å; I375-F377 WeakPolarHBondContact O-CE2 3.19Å; F377-V388 HydrophobicContact CD1-CG1 4.17Å; F377-V388 HydrophobicContact CE1-CG1 4.47Å; F377-F400 HydrophobicContact CE1-CD1 4.12Å; F377-F400 AromaticContact CE1-CE1 3.53Å; F377-F400 HydrophobicContact CE1-CE1 3.53Å; F377-F400 HydrophobicContact CE1-CZ 4.04Å; F377-F400 AromaticContact CZ-CE1 3.52Å; F377-F400 HydrophobicContact CZ-CE1 3.52Å; F377-F400 AromaticContact CZ-CZ 3.79Å; F377-F400 HydrophobicContact CZ-CZ 3.79Å
378	P	43.4	Very low	41.2	Very low	6 Å²	6	79.6 Å²	79.6	4%	0.039	40%	0.402	C	S	.	.			trans	-91.1	104.5	157.8	12.5	9	0	0	0	108.2	G352 L359 L376 Y389	G352-P378 WeakPolarHBondContact O-CA 3.42Å; L359-P378 HydrophobicContact CD1-CG 3.54Å; L359-P378 HydrophobicContact CD2-CG 4.03Å; L359-P378 HydrophobicContact CG-CG 4.39Å; L376-P378 WeakPolarHBondContact O-CD 3.15Å; P378-Y389 HydrophobicContact CB-CD2 4.4Å; P378-Y389 HydrophobicContact CG-CD2 4.31Å
379	S	45	Very low	41	Very low	28 Å²	28	74.6 Å²	74.6	20%	0.196	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.7	170.9	66.7	0	0	0	0	110.4	H350 D387	H350-S379 PolarHBondContact NE2-OG 3.29Å; S379-D387 WeakPolarHBondContact CA-O 3.43Å
380	R	46.9	Very low	40.9	Very low	117 Å²	117	67.7 Å²	67.7	44%	0.442	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.8	162.9	-166.9	174.7	-176.8	173.2	-5.1	108.8	Y386 D387 H427	R380-Y386 CarbonylContact O-C 3.54Å; R380-Y386 WeakPolarHBondContact O-CA 3.48Å; R380-D387 HydrophobicContact CB-CB 4.13Å; R380-D387 PolarHBondContact N-O 3.43Å; R380-D387 PolarHBondContact O-N 2.89Å; R380-H427 PolarHBondContact NH1-CE1 3.3Å; R380-H427 PolarHBondContact NH1-NE2 2.68Å
381	R	40.7	Very low	41.1	Very low	193 Å²	193	65.8 Å²	65.8	73%	0.728	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.9	-177	-163	-177.2	-165.1	-177.9	6.4	109.2	Y386	R381-Y386 HydrophobicContact CG-CE1 4.45Å
382	Q	43.8	Very low	41.5	Very low	112 Å²	112	67.3 Å²	67.3	52%	0.523	34%	0.335	S	S	.	.			trans	-103.4	178	171	-58.8	-148.6	26.9	0	0	110.2	E384 G385 D387	Q382-E384 PolarHBondContact O-N 3.37Å; Q382-G385 PolarHBondContact N-O 2.91Å; Q382-D387 VanDerWaalsContact NE2-CG 3.29Å; Q382-D387 PolarHBondContact NE2-OD1 3.49Å; Q382-D387 PolarHBondContact NE2-OD2 3.2Å
383	E	36.3	Very low	41.6	Very low	203 Å²	203	72.7 Å²	72.7	95%	0.949	35%	0.352	S	S	*	.	S	Bend	trans	-69.9	-22.5	175.3	-64.2	-159.8	131.9	0	0	112.7
384	E	36.2	Very low	41.9	Very low	196 Å²	196	70.5 Å²	70.5	92%	0.916	33%	0.334	S	S	*	.	S	Bend	trans	-110.8	-5.8	-176.2	-58.4	-169.1	154.2	0	0	114.8	Q382	Q382-E384 PolarHBondContact O-N 3.37Å
385	G	40.9	Very low	42	Very low	17 Å²	17	76.1 Å²	76.1	18%	0.175	36%	0.36	C	S	.	.			trans	169.9	-156.5	-179.1	0	0	0	0	0	115.6	Q382	Q382-G385 PolarHBondContact N-O 2.91Å
386	Y	41.5	Very low	42.1	Very low	82 Å²	82	78.7 Å²	78.7	32%	0.322	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.8	175.6	-63.6	-95.3	0	0	0	111.2	R380 R381 P404 G405 N406	R380-Y386 CarbonylContact O-C 3.54Å; R380-Y386 WeakPolarHBondContact O-CA 3.48Å; R381-Y386 HydrophobicContact CG-CE1 4.45Å; Y386-P404 PolarHBondContact N-O 2.65Å; Y386-G405 WeakPolarHBondContact O-CA 3.35Å; Y386-N406 PolarHBondContact O-N 2.73Å
387	D	44.4	Very low	42.3	Very low	12 Å²	12	79.5 Å²	79.5	6%	0.064	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.8	164.2	-55.7	-38.1	0	0	0	108.8	S379 R380 Q382 Y389	S379-D387 WeakPolarHBondContact CA-O 3.43Å; R380-D387 HydrophobicContact CB-CB 4.13Å; R380-D387 PolarHBondContact N-O 3.43Å; R380-D387 PolarHBondContact O-N 2.89Å; Q382-D387 VanDerWaalsContact NE2-CG 3.29Å; Q382-D387 PolarHBondContact NE2-OD1 3.49Å; Q382-D387 PolarHBondContact NE2-OD2 3.2Å; D387-Y389 HydrophobicContact CB-CE2 3.84Å
388	V	42.3	Very low	42.3	Very low	14 Å²	14	81.7 Å²	81.7	9%	0.085	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	114.8	179.8	-179.1	0	0	0	0	110	F377 L403 N406 L407 E408	F377-V388 HydrophobicContact CD1-CG1 4.17Å; F377-V388 HydrophobicContact CE1-CG1 4.47Å; V388-L403 HydrophobicContact CG2-CD1 4.25Å; V388-N406 PolarHBondContact N-O 2.81Å; V388-L407 HydrophobicContact CB-CD1 3.94Å; V388-L407 HydrophobicContact CG1-CD1 3.8Å; V388-E408 PolarHBondContact O-N 3.4Å; V388-E408 VanDerWaalsContact O-N 3.07Å
389	Y	44.1	Very low	42.2	Very low	46 Å²	46	85.2 Å²	85.2	18%	0.18	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.4	-179.8	-59.3	-83.1	0	0	0	111.3	P378 D387 E408 H427	P378-Y389 HydrophobicContact CB-CD2 4.4Å; P378-Y389 HydrophobicContact CG-CD2 4.31Å; D387-Y389 HydrophobicContact CB-CE2 3.84Å; Y389-E408 HydrophobicContact CD1-CB 4.24Å; Y389-E408 HydrophobicContact CE1-CB 4.43Å; Y389-E408 WeakPolarHBondContact CE1-OE2 3.46Å; Y389-H427 PolarHBondContact OH-CE1 3Å
390	C	43.2	Very low	42.1	Very low	3 Å²	3	85 Å²	85	2%	0.02	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.3	-178.2	-54.9	0	0	0	0	112.5	M394 E408 C409 F410	C390-M394 HydrophobicContact CB-CE 4.31Å; C390-M394 HydrophobicContact CB-SD 3.78Å; C390-E408 PolarHBondContact N-O 3.07Å; C390-C409 HydrophobicContact CB-CB 4.3Å; C390-F410 VanDerWaalsContact O-CD2 3.27Å; C390-F410 WeakPolarHBondContact O-CD2 3.4Å; C390-F410 PolarHBondContact O-N 3.35Å
391	G	38.3	Very low	41.9	Very low	33 Å²	33	87.8 Å²	87.8	34%	0.34	42%	0.418	S	S	.	.			trans	-68.4	159.1	179.1	0	0	0	0	0	114.1	K393	G391-K393 PolarHBondContact O-N 3.43Å
392	T	43.7	Very low	42.2	Very low	76 Å²	76	86.2 Å²	86.2	47%	0.466	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-5.5	-165.3	60.9	0	0	0	0	116.2	F410	T392-F410 HydrophobicContact CG2-CB 3.71Å
393	K	40.2	Very low	41.9	Very low	179 Å²	179	85.1 Å²	85.1	78%	0.778	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	36.8	-173.9	-64.9	-170.5	174.6	-175.2	0	113.9	G391 Q395	G391-K393 PolarHBondContact O-N 3.43Å; K393-Q395 PolarHBondContact O-N 3.18Å
394	M	46.1	Very low	41.9	Very low	53 Å²	53	79.9 Å²	79.9	26%	0.261	40%	0.399	S	S	.	.			trans	-85.2	103.3	-178	-93.7	-154.4	169.1	0	0	114.6	I375 C390 Y396 A397 F400	I375-M394 HydrophobicContact CG2-CE 3.53Å; C390-M394 HydrophobicContact CB-CE 4.31Å; C390-M394 HydrophobicContact CB-SD 3.78Å; M394-Y396 PolarHBondContact O-N 3.45Å; M394-A397 HydrophobicContact CB-CB 4.29Å; M394-F400 HydrophobicContact CE-CD2 4.18Å; M394-F400 HydrophobicContact CE-CE2 3.48Å; M394-F400 VanDerWaalsContact CE-CE2 3.48Å; M394-F400 HydrophobicContact CE-CZ 4.04Å; M394-F400 HydrophobicContact SD-CD2 3.98Å; M394-F400 HydrophobicContact SD-CE2 3.73Å
395	Q	38.4	Very low	42.2	Very low	156 Å²	156	72.5 Å²	72.5	73%	0.729	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.7	159.7	-68.8	177.4	-29	0	0	113	K393 H398	K393-Q395 PolarHBondContact O-N 3.18Å; Q395-H398 PolarHBondContact O-CE1 2.88Å; Q395-H398 PolarHBondContact O-ND1 3.02Å
396	Y	43.7	Very low	42.4	Very low	80 Å²	80	77.3 Å²	77.3	31%	0.314	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	11.4	-168.3	-60.7	-72.7	0	0	0	115	M394 H398 L399 F400	M394-Y396 PolarHBondContact O-N 3.45Å; Y396-H398 PolarHBondContact O-N 3.42Å; Y396-L399 HydrophobicContact CD1-CD1 3.91Å; Y396-L399 HydrophobicContact CG-CD1 4.36Å; Y396-L399 WeakPolarHBondContact O-CB 3.32Å; Y396-L399 PolarHBondContact O-N 2.76Å; Y396-F400 WeakPolarHBondContact O-CD2 3.37Å; Y396-F400 WeakPolarHBondContact O-CE2 3.41Å
397	A	43.9	Very low	42.5	Very low	34 Å²	34	76.2 Å²	76.2	28%	0.281	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-53.4	-31.4	-177.8	0	0	0	0	0	113.3	M394 L399 F400	M394-A397 HydrophobicContact CB-CB 4.29Å; A397-L399 VanDerWaalsContact C-N 3.27Å; A397-L399 PolarHBondContact O-N 2.88Å; A397-F400 PolarHBondContact O-N 3.39Å
398	H	46.4	Very low	42.5	Very low	76 Å²	76	79.5 Å²	79.5	35%	0.352	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28	176.2	64.5	-92.2	0	0	0	114.2	Q395 Y396 F400	Q395-H398 PolarHBondContact O-CE1 2.88Å; Q395-H398 PolarHBondContact O-ND1 3.02Å; Y396-H398 PolarHBondContact O-N 3.42Å; H398-F400 PolarHBondContact O-N 2.95Å
399	L	40.3	Very low	42.3	Very low	80 Å²	80	81 Å²	81	42%	0.419	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-69.7	-20.1	178.5	-62	-177.2	0	0	0	112.9	Y396 A397	Y396-L399 HydrophobicContact CD1-CD1 3.91Å; Y396-L399 HydrophobicContact CG-CD1 4.36Å; Y396-L399 WeakPolarHBondContact O-CB 3.32Å; Y396-L399 PolarHBondContact O-N 2.76Å; A397-L399 VanDerWaalsContact C-N 3.27Å; A397-L399 PolarHBondContact O-N 2.88Å
400	F	43.6	Very low	42.1	Very low	24 Å²	24	81.9 Å²	81.9	11%	0.105	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-95.1	-6.9	-175	-57.8	-70.9	0	0	0	113.9	I375 F377 M394 Y396 A397 H398 Q402 L403 L407	I375-F400 HydrophobicContact CG2-CZ 4.35Å; F377-F400 HydrophobicContact CE1-CD1 4.12Å; F377-F400 AromaticContact CE1-CE1 3.53Å; F377-F400 HydrophobicContact CE1-CE1 3.53Å; F377-F400 HydrophobicContact CE1-CZ 4.04Å; F377-F400 AromaticContact CZ-CE1 3.52Å; F377-F400 HydrophobicContact CZ-CE1 3.52Å; F377-F400 AromaticContact CZ-CZ 3.79Å; F377-F400 HydrophobicContact CZ-CZ 3.79Å; M394-F400 HydrophobicContact CE-CD2 4.18Å; M394-F400 HydrophobicContact CE-CE2 3.48Å; M394-F400 VanDerWaalsContact CE-CE2 3.48Å; M394-F400 HydrophobicContact CE-CZ 4.04Å; M394-F400 HydrophobicContact SD-CD2 3.98Å; M394-F400 HydrophobicContact SD-CE2 3.73Å; Y396-F400 WeakPolarHBondContact O-CD2 3.37Å; Y396-F400 WeakPolarHBondContact O-CE2 3.41Å; A397-F400 PolarHBondContact O-N 3.39Å; H398-F400 PolarHBondContact O-N 2.95Å; F400-Q402 PolarHBondContact O-N 3.28Å; F400-L403 HydrophobicContact CB-CD1 4.5Å; F400-L403 HydrophobicContact CD1-CD1 3.94Å; F400-L403 PolarHBondContact O-N 3.47Å; F400-L403 VanDerWaalsContact O-N 3.14Å; F400-L407 HydrophobicContact CB-CD1 3.68Å; F400-L407 HydrophobicContact CB-CD2 3.74Å; F400-L407 HydrophobicContact CB-CG 4.39Å
401	K	43.1	Very low	41.8	Very low	175 Å²	175	88.1 Å²	88.1	76%	0.761	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-5.1	173.5	-76.4	-171.2	172.2	-177	0	114.7
402	Q	45.3	Very low	41.6	Very low	159 Å²	159	92.6 Å²	92.6	74%	0.743	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-3.6	178.1	-63.4	-177.9	-3.4	0	0	113.4	F400	F400-Q402 PolarHBondContact O-N 3.28Å
403	L	38.2	Very low	40.9	Very low	89 Å²	89	99.1 Å²	99.1	47%	0.466	49%	0.49	S	S	.	.	S	Bend	trans	-84.1	137.2	179.6	-66.6	178.5	0	0	0	112.2	V388 F400 G405	V388-L403 HydrophobicContact CG2-CD1 4.25Å; F400-L403 HydrophobicContact CB-CD1 4.5Å; F400-L403 HydrophobicContact CD1-CD1 3.94Å; F400-L403 PolarHBondContact O-N 3.47Å; F400-L403 VanDerWaalsContact O-N 3.14Å; L403-G405 PolarHBondContact O-N 2.9Å
404	P	36.6	Very low	40.4	Very low	93 Å²	93	95 Å²	95	60%	0.604	48%	0.481	S	S	*	.	S	Bend	trans	-77.8	102.5	174.1	30.2	-33.4	0	0	0	111.8	Y386	Y386-P404 PolarHBondContact N-O 2.65Å
405	G	42.3	Very low	39.4	Very low	41 Å²	41	100 Å²	100	42%	0.423	51%	0.508	S	S	.	.	S	Bend	trans	157.2	-173.4	175	0	0	0	0	0	112.6	Y386 L403	Y386-G405 WeakPolarHBondContact O-CA 3.35Å; L403-G405 PolarHBondContact O-N 2.9Å
406	N	45.8	Very low	39	Very low	118 Å²	118	96.2 Å²	96.2	63%	0.631	51%	0.51	S	S	*	.			trans	-83.6	124.5	175.3	-79	-27.5	0	0	0	110.6	Y386 V388	Y386-N406 PolarHBondContact O-N 2.73Å; V388-N406 PolarHBondContact N-O 2.81Å
407	L	42.8	Very low	38.3	Very low	59 Å²	59	99.2 Å²	99.2	31%	0.309	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	94.8	178.8	-175.4	71	0	0	0	109.9	V388 F400 C409	V388-L407 HydrophobicContact CB-CD1 3.94Å; V388-L407 HydrophobicContact CG1-CD1 3.8Å; F400-L407 HydrophobicContact CB-CD1 3.68Å; F400-L407 HydrophobicContact CB-CD2 3.74Å; F400-L407 HydrophobicContact CB-CG 4.39Å; L407-C409 PolarHBondContact O-N 2.95Å
408	E	44.2	Very low	37.4	Very low	81 Å²	81	101 Å²	101	38%	0.379	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	100	174.7	-72.1	-165	159	0	0	110.4	V388 Y389 C390	V388-E408 PolarHBondContact O-N 3.4Å; V388-E408 VanDerWaalsContact O-N 3.07Å; Y389-E408 HydrophobicContact CD1-CB 4.24Å; Y389-E408 HydrophobicContact CE1-CB 4.43Å; Y389-E408 WeakPolarHBondContact CE1-OE2 3.46Å; C390-E408 PolarHBondContact N-O 3.07Å
409	C	39	Very low	36.7	Very low	45 Å²	45	106.5 Å²	106.5	30%	0.304	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	127.2	166.9	-63.8	0	0	0	0	110.1	C390 L407 N411	C390-C409 HydrophobicContact CB-CB 4.3Å; L407-C409 PolarHBondContact O-N 2.95Å; C409-N411 PolarHBondContact O-N 2.82Å
410	F	39.2	Very low	36.2	Very low	66 Å²	66	110 Å²	110	29%	0.289	59%	0.588	S	S	.	*			trans	-75.3	87.6	172	-62	-64.9	0	0	0	110.4	C390 T392 Y426	C390-F410 VanDerWaalsContact O-CD2 3.27Å; C390-F410 WeakPolarHBondContact O-CD2 3.4Å; C390-F410 PolarHBondContact O-N 3.35Å; T392-F410 HydrophobicContact CG2-CB 3.71Å; F410-Y426 HydrophobicContact CE1-CD1 4.4Å
411	N	37.8	Very low	35.6	Very low	133 Å²	133	113.5 Å²	113.5	71%	0.711	61%	0.608	S	S	*	*			trans	-61.9	139.4	166.3	-75.2	-0.5	0	0	0	109.9	C409	C409-N411 PolarHBondContact O-N 2.82Å
412	E	33.5	Very low	35	Very low	128 Å²	128	110.8 Å²	110.8	60%	0.598	61%	0.606	S	S	*	*	S	Bend	trans	-71.3	131.8	165.2	-63.4	-170.6	160.2	0	0	108.8
413	Y	29.7	Very low	34.2	Very low	213 Å²	213	108.6 Å²	108.6	84%	0.835	60%	0.604	S	S	*	*			trans	62.2	77.4	-179.9	-56	-78.1	0	0	0	118
414	P	28.1	Very low	33.6	Very low	92 Å²	92	114.6 Å²	114.6	60%	0.597	62%	0.62	S	S	*	*			trans	-58.7	145	136.7	31.4	-34.2	0	0	0	109.6	G416	P414-G416 PolarHBondContact O-N 3.23Å
415	I	26.6	Very low	33.1	Very low	158 Å²	158	114.6 Å²	114.6	81%	0.81	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	135.2	-171.6	-60.6	168.9	0	0	0	111.4	F417	I415-F417 WeakPolarHBondContact O-CD2 3.36Å; I415-F417 PolarHBondContact O-N 3.04Å
416	G	28.8	Very low	32.4	Very low	76 Å²	76	118.8 Å²	118.8	78%	0.784	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.9	-26	162.5	0	0	0	0	0	118.7	P414 G418	P414-G416 PolarHBondContact O-N 3.23Å; G416-G418 PolarHBondContact O-N 2.67Å
417	F	28.3	Very low	31.6	Very low	144 Å²	144	116.5 Å²	116.5	63%	0.632	61%	0.61	S	S	*	*			trans	-83.4	61.4	-164.5	-75.7	-82.7	0	0	0	116.5	I415 K419 W450	I415-F417 WeakPolarHBondContact O-CD2 3.36Å; I415-F417 PolarHBondContact O-N 3.04Å; F417-K419 VanDerWaalsContact C-N 3.31Å; F417-K419 PolarHBondContact O-N 3.05Å; F417-W450 HydrophobicContact CZ-CH2 4.44Å
418	G	26.7	Very low	30.8	Very low	72 Å²	72	119.3 Å²	119.3	74%	0.742	63%	0.625	S	S	*	*			trans	-70.8	-10.7	179.9	0	0	0	0	0	116.8	G416	G416-G418 PolarHBondContact O-N 2.67Å
419	K	30.2	Very low	30	Very low	191 Å²	191	120.4 Å²	120.4	83%	0.83	63%	0.633	S	S	*	*			trans	-153.9	106.3	-178.7	-63	179.4	-173.8	170.8	0	112.3	F417	F417-K419 VanDerWaalsContact C-N 3.31Å; F417-K419 PolarHBondContact O-N 3.05Å
420	L	31.4	Very low	29.4	Very low	152 Å²	152	124.9 Å²	124.9	80%	0.796	65%	0.653	S	S	*	*			trans	-165.4	167.8	153.9	-110.4	162.2	0	0	0	112.4
421	N	30.4	Very low	28.7	Very low	98 Å²	98	127.8 Å²	127.8	52%	0.524	67%	0.668	S	S	.	*			trans	-89.4	121.5	-156.8	-172.3	-25.5	0	0	0	113.9	T423	N421-T423 VanDerWaalsContact C-N 3.26Å; N421-T423 PolarHBondContact O-N 3.04Å; N421-T423 VanDerWaalsContact O-N 3.15Å; N421-T423 WeakPolarHBondContact OD1-CG2 3.37Å; N421-T423 PolarHBondContact OD1-N 2.89Å; N421-T423 PolarHBondContact OD1-OG1 3.25Å
422	T	29.5	Very low	28.1	Very low	118 Å²	118	128 Å²	128	72%	0.724	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	7.3	-171.8	50.6	0	0	0	0	116.1
423	T	28.2	Very low	27.7	Very low	114 Å²	114	130.1 Å²	130.1	70%	0.699	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	9.4	-169.5	54.2	0	0	0	0	116.3	N421	N421-T423 VanDerWaalsContact C-N 3.26Å; N421-T423 PolarHBondContact O-N 3.04Å; N421-T423 VanDerWaalsContact O-N 3.15Å; N421-T423 WeakPolarHBondContact OD1-CG2 3.37Å; N421-T423 PolarHBondContact OD1-N 2.89Å; N421-T423 PolarHBondContact OD1-OG1 3.25Å
424	R	26.5	Very low	27.4	Very low	214 Å²	214	122.7 Å²	122.7	81%	0.808	67%	0.666	S	S	*	*	S	Bend	trans	-113.6	142.4	174.5	-73.2	-174.5	173.2	-174.8	-2.3	112.3	Y426	R424-Y426 PolarHBondContact O-N 3.17Å
425	P	27	Very low	27.3	Very low	93 Å²	93	125.1 Å²	125.1	60%	0.604	67%	0.673	S	S	*	*			trans	-65.8	129.7	179	-19.1	32.1	0	0	0	112	H427 N428	P425-H427 PolarHBondContact O-N 3.33Å; P425-H427 VanDerWaalsContact O-N 3.17Å; P425-N428 PolarHBondContact O-N 3.21Å
426	Y	27	Very low	27.6	Very low	130 Å²	130	122 Å²	122	51%	0.51	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-61.3	-23.7	179.4	-96.3	-114.4	0	0	0	113.6	F410 R424 N428 L429	F410-Y426 HydrophobicContact CE1-CD1 4.4Å; R424-Y426 PolarHBondContact O-N 3.17Å; Y426-N428 PolarHBondContact O-N 2.92Å; Y426-L429 HydrophobicContact CD1-CD1 3.84Å; Y426-L429 HydrophobicContact CD2-CD1 4.4Å; Y426-L429 HydrophobicContact CE1-CD1 3.93Å; Y426-L429 HydrophobicContact CE2-CD1 4.48Å; Y426-L429 HydrophobicContact CG-CD1 4.09Å; Y426-L429 PolarHBondContact O-N 2.83Å
427	H	27.7	Very low	27.7	Very low	70 Å²	70	126.9 Å²	126.9	32%	0.324	66%	0.657	S	S	.	*	G	3₁₀ helix	trans	-60.2	-12.8	177.1	-120.3	-26.8	0	0	0	114.6	R380 Y389 P425	R380-H427 PolarHBondContact NH1-CE1 3.3Å; R380-H427 PolarHBondContact NH1-NE2 2.68Å; Y389-H427 PolarHBondContact OH-CE1 3Å; P425-H427 PolarHBondContact O-N 3.33Å; P425-H427 VanDerWaalsContact O-N 3.17Å
428	N	27	Very low	28.2	Very low	117 Å²	117	123.5 Å²	123.5	63%	0.626	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-95.8	-4.2	174.7	-74.6	35.5	0	0	0	113.9	P425 Y426 H431	P425-N428 PolarHBondContact O-N 3.21Å; Y426-N428 PolarHBondContact O-N 2.92Å; N428-H431 CarbonylContact O-C 3.6Å; N428-H431 PolarHBondContact O-N 2.98Å
429	L	26.7	Very low	28.7	Very low	104 Å²	104	122.1 Å²	122.1	55%	0.545	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-79.3	-30	178.6	-75.3	167	0	0	0	112.7	Y426 H431	Y426-L429 HydrophobicContact CD1-CD1 3.84Å; Y426-L429 HydrophobicContact CD2-CD1 4.4Å; Y426-L429 HydrophobicContact CE1-CD1 3.93Å; Y426-L429 HydrophobicContact CE2-CD1 4.48Å; Y426-L429 HydrophobicContact CG-CD1 4.09Å; Y426-L429 PolarHBondContact O-N 2.83Å; L429-H431 PolarHBondContact O-N 3Å
430	L	26.6	Very low	29.4	Very low	139 Å²	139	117.8 Å²	117.8	73%	0.728	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-78.9	5.1	167.4	-73.1	166.3	0	0	0	113.3
431	H	25	Very low	29.8	Very low	128 Å²	128	116.5 Å²	116.5	59%	0.593	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-126.6	34.8	176.7	-123.2	-51.8	0	0	0	112.2	N428 L429 E433	N428-H431 CarbonylContact O-C 3.6Å; N428-H431 PolarHBondContact O-N 2.98Å; L429-H431 PolarHBondContact O-N 3Å; H431-E433 IonicContact CE1-OE1 2.91Å; H431-E433 IonicContact CE1-OE2 3.3Å; H431-E433 IonicContact ND1-OE2 2.68Å; H431-E433 PolarHBondContact O-N 2.02Å
432	L	26.2	Very low	30.4	Very low	136 Å²	136	114.8 Å²	114.8	71%	0.712	60%	0.603	S	S	*	*			trans	-77.1	69.6	158.5	-83.4	169.2	0	0	0	110.1	G434	L432-G434 PolarHBondContact O-N 2.96Å
433	E	24.1	Very low	31.4	Very low	174 Å²	174	119.1 Å²	119.1	81%	0.813	61%	0.612	S	S	*	*			trans	-64.3	87.5	161.4	-71.7	-178.2	131.4	0	0	108.3	H431	H431-E433 IonicContact CE1-OE1 2.91Å; H431-E433 IonicContact CE1-OE2 3.3Å; H431-E433 IonicContact ND1-OE2 2.68Å; H431-E433 PolarHBondContact O-N 2.02Å
434	G	23.5	Very low	32.3	Very low	56 Å²	56	115.1 Å²	115.1	58%	0.577	59%	0.589	S	S	*	*	S	Bend	trans	-179.4	43.9	-164.5	0	0	0	0	0	116.2	L432	L432-G434 PolarHBondContact O-N 2.96Å
435	L	25.7	Very low	33.3	Very low	144 Å²	144	110 Å²	110	75%	0.754	58%	0.583	S	S	*	*			trans	54.3	66.1	160.2	-59.3	172.5	0	0	0	116.4	Y437	L435-Y437 HydrophobicContact CD2-CD2 3.9Å; L435-Y437 HydrophobicContact CD2-CE2 3.61Å
436	T	32.3	Very low	34.3	Very low	91 Å²	91	106.2 Å²	106.2	56%	0.558	56%	0.559	S	S	*	*			trans	-115.8	77	141.5	42.7	0	0	0	0	108.3	V438	T436-V438 PolarHBondContact O-N 2.93Å
437	Y	31.8	Very low	35.6	Very low	180 Å²	180	100.9 Å²	100.9	71%	0.706	54%	0.543	S	S	*	.			trans	-59.3	133.5	156.4	-76.7	-80.2	0	0	0	107	L435 D439	L435-Y437 HydrophobicContact CD2-CD2 3.9Å; L435-Y437 HydrophobicContact CD2-CE2 3.61Å; Y437-D439 VanDerWaalsContact C-N 3.31Å; Y437-D439 PolarHBondContact O-N 3.45Å
438	V	39.5	Very low	36.9	Very low	73 Å²	73	99.3 Å²	99.3	44%	0.442	54%	0.539	S	S	.	.			trans	-67.2	100.5	157.9	173.9	0	0	0	0	105.1	T436 P448	T436-V438 PolarHBondContact O-N 2.93Å; V438-P448 HydrophobicContact CG1-CB 3.37Å
439	D	36	Very low	38.1	Very low	43 Å²	43	95.4 Å²	95.4	23%	0.23	52%	0.516	C	S	.	.	B	Isolated β-bridge	trans	-71.1	140.3	-174.8	-147	-26.9	0	0	0	110	Y437 T441 W449	Y437-D439 VanDerWaalsContact C-N 3.31Å; Y437-D439 PolarHBondContact O-N 3.45Å; D439-T441 VanDerWaalsContact OD1-CB 3.29Å; D439-T441 WeakPolarHBondContact OD1-CB 2.95Å; D439-T441 WeakPolarHBondContact OD1-CG2 3.25Å; D439-T441 PolarHBondContact OD1-N 3.02Å; D439-T441 PolarHBondContact OD1-OG1 3.33Å; D439-W449 HydrophobicContact CB-CD2 4.26Å; D439-W449 HydrophobicContact CB-CE3 4.42Å; D439-W449 HydrophobicContact CB-CH2 3.45Å; D439-W449 VanDerWaalsContact CB-CH2 3.45Å; D439-W449 HydrophobicContact CB-CZ2 3.27Å; D439-W449 HydrophobicContact CB-CZ3 4.02Å
440	T	44.8	Very low	39.3	Very low	100 Å²	100	94.5 Å²	94.5	61%	0.613	51%	0.505	S	S	*	.			trans	-144.6	5.3	-178.5	48.5	0	0	0	0	110.3	P448	T440-P448 HydrophobicContact CG2-CB 4.07Å; T440-P448 HydrophobicContact CG2-CG 4.33Å
441	T	41.4	Very low	40.6	Very low	124 Å²	124	92.7 Å²	92.7	76%	0.761	49%	0.489	S	S	*	.	S	Bend	trans	-80.5	-32.8	177.8	67.6	0	0	0	0	110.9	D439	D439-T441 VanDerWaalsContact OD1-CB 3.29Å; D439-T441 WeakPolarHBondContact OD1-CB 2.95Å; D439-T441 WeakPolarHBondContact OD1-CG2 3.25Å; D439-T441 PolarHBondContact OD1-N 3.02Å; D439-T441 PolarHBondContact OD1-OG1 3.33Å
442	D	41.7	Very low	42	Very low	62 Å²	62	89.8 Å²	89.8	33%	0.332	47%	0.473	S	S	.	.	S	Bend	trans	-77.6	126.8	157.2	63.2	-41.2	0	0	0	110.2	S444 W449	D442-S444 PolarHBondContact O-N 2.85Å; D442-S444 WeakPolarHBondContact OD2-CB 3.29Å; D442-W449 PolarHBondContact OD1-NE1 3.26Å; D442-W449 PolarHBondContact OD2-NE1 3.37Å
443	K	50.8	Low	43	Very low	209 Å²	209	90 Å²	90	91%	0.909	47%	0.468	S	S	*	.			trans	-79.3	57.8	169	-65.7	-172.3	177.3	-171.4	0	109.8
444	S	47.3	Very low	44.3	Very low	31 Å²	31	85.7 Å²	85.7	22%	0.217	45%	0.451	C	S	.	.			trans	-60.2	131.6	-179	-177.9	0	0	0	0	110.3	D442 C446 G447	D442-S444 PolarHBondContact O-N 2.85Å; D442-S444 WeakPolarHBondContact OD2-CB 3.29Å; S444-C446 PolarHBondContact O-N 2.94Å; S444-C446 WeakPolarHBondContact OG-CB 3.29Å; S444-C446 PolarHBondContact OG-N 2.82Å; S444-C446 PolarHBondContact OG-SG 3.06Å; S444-G447 PolarHBondContact O-N 3.28Å
445	P	48.4	Very low	46	Very low	107 Å²	107	86.1 Å²	86.1	70%	0.695	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.7	174.6	28.2	-34.9	0	0	0	112.1	G447	P445-G447 VanDerWaalsContact C-N 3.26Å; P445-G447 PolarHBondContact O-N 2.78Å
446	C	47.8	Very low	46.9	Very low	13 Å²	13	84.8 Å²	84.8	9%	0.088	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.8	176.3	-40.9	0	0	0	0	112.6	S444 T466 C768	S444-C446 PolarHBondContact O-N 2.94Å; S444-C446 WeakPolarHBondContact OG-CB 3.29Å; S444-C446 PolarHBondContact OG-N 2.82Å; S444-C446 PolarHBondContact OG-SG 3.06Å; C446-T466 WeakPolarHBondContact O-CG2 3.43Å; C446-T466 PolarHBondContact O-OG1 3.46Å; C446-C768 HydrophobicContact CB-CB 3.77Å; C446-C768 WeakPolarHBondContact CB-SG 3.46Å; C446-C768 WeakPolarHBondContact SG-CA 3.05Å; C446-C768 WeakPolarHBondContact SG-CB 3.44Å; C446-C768 CovalentContact SG-SG 2.03Å; C446-C768 PolarHBondContact SG-SG 3.28Å
447	G	53.1	Low	47.4	Very low	17 Å²	17	84.5 Å²	84.5	18%	0.175	45%	0.449	C	S	.	.			trans	90.8	-168.8	-171.3	0	0	0	0	0	113.8	S444 P445	S444-G447 PolarHBondContact O-N 3.28Å; P445-G447 VanDerWaalsContact C-N 3.26Å; P445-G447 PolarHBondContact O-N 2.78Å
448	P	54.8	Low	48.1	Very low	38 Å²	38	80.7 Å²	80.7	25%	0.247	44%	0.44	C	S	.	.	S	Bend	trans	-66.8	136.3	-180	-10.2	25	0	0	0	110.3	V438 T440 P462 C463	V438-P448 HydrophobicContact CG1-CB 3.37Å; T440-P448 HydrophobicContact CG2-CB 4.07Å; T440-P448 HydrophobicContact CG2-CG 4.33Å; P448-P462 CarbonylContact O-C 3.58Å; P448-P462 WeakPolarHBondContact O-CA 3.23Å; P448-C463 WeakPolarHBondContact O-CB 3.02Å; P448-C463 PolarHBondContact O-N 3.47Å
449	W	53.1	Low	48.7	Very low	35 Å²	35	79.5 Å²	79.5	13%	0.133	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	161.2	-173	52	-101.3	0	0	0	113.6	D439 D442 Y451 E461	D439-W449 HydrophobicContact CB-CD2 4.26Å; D439-W449 HydrophobicContact CB-CE3 4.42Å; D439-W449 HydrophobicContact CB-CH2 3.45Å; D439-W449 VanDerWaalsContact CB-CH2 3.45Å; D439-W449 HydrophobicContact CB-CZ2 3.27Å; D439-W449 HydrophobicContact CB-CZ3 4.02Å; D442-W449 PolarHBondContact OD1-NE1 3.26Å; D442-W449 PolarHBondContact OD2-NE1 3.37Å; W449-Y451 HydrophobicContact CE3-CD2 4.32Å; W449-Y451 HydrophobicContact CE3-CE2 4.06Å; W449-Y451 HydrophobicContact CH2-CD2 4.47Å; W449-Y451 AromaticContact CH2-CE2 3.62Å; W449-Y451 HydrophobicContact CH2-CE2 3.62Å; W449-Y451 AromaticContact CZ3-CD2 3.62Å; W449-Y451 HydrophobicContact CZ3-CD2 3.62Å; W449-Y451 AromaticContact CZ3-CE2 3.15Å; W449-Y451 HydrophobicContact CZ3-CE2 3.15Å; W449-Y451 AromaticContact CZ3-CZ 3.76Å; W449-E461 WeakPolarHBondContact CA-O 3.43Å; W449-E461 WeakPolarHBondContact CB-O 3.07Å
450	W	51.7	Low	49.5	Very low	84 Å²	84	79.6 Å²	79.6	32%	0.318	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149	173.6	74	-57.2	0	0	0	111.6	F417 H460 E461	F417-W450 HydrophobicContact CZ-CH2 4.44Å; W450-H460 VanDerWaalsContact O-CA 3.32Å; W450-H460 WeakPolarHBondContact O-CA 3.14Å; W450-E461 WeakPolarHBondContact CZ2-OE1 3.48Å; W450-E461 PolarHBondContact N-O 3.1Å; W450-E461 PolarHBondContact NE1-OE1 2.78Å; W450-E461 PolarHBondContact O-N 3.36Å
451	Y	53.8	Low	49.8	Very low	101 Å²	101	78.1 Å²	78.1	40%	0.396	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.3	168.6	-71.6	-69.6	0	0	0	110.4	W449 L458 K459 H460	W449-Y451 HydrophobicContact CE3-CD2 4.32Å; W449-Y451 HydrophobicContact CE3-CE2 4.06Å; W449-Y451 HydrophobicContact CH2-CD2 4.47Å; W449-Y451 AromaticContact CH2-CE2 3.62Å; W449-Y451 HydrophobicContact CH2-CE2 3.62Å; W449-Y451 AromaticContact CZ3-CD2 3.62Å; W449-Y451 HydrophobicContact CZ3-CD2 3.62Å; W449-Y451 AromaticContact CZ3-CE2 3.15Å; W449-Y451 HydrophobicContact CZ3-CE2 3.15Å; W449-Y451 AromaticContact CZ3-CZ 3.76Å; Y451-L458 HydrophobicContact CD1-CD2 4.19Å; Y451-L458 HydrophobicContact CG-CD2 4.22Å; Y451-K459 WeakPolarHBondContact CA-O 3.42Å; Y451-H460 HydrophobicContact CD1-CB 3.8Å; Y451-H460 HydrophobicContact CE1-CB 3.78Å
452	Y	54.4	Low	50.1	Low	67 Å²	67	72.9 Å²	72.9	26%	0.263	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.9	169.3	73.5	-85.1	0	0	0	110.8	N454 K459 E461	Y452-N454 HydrophobicContact CD2-CB 4.46Å; Y452-N454 HydrophobicContact CE2-CB 4.01Å; Y452-K459 HydrophobicContact CD1-CB 4.2Å; Y452-K459 HydrophobicContact CE1-CB 3.66Å; Y452-K459 HydrophobicContact CE2-CB 4.1Å; Y452-K459 HydrophobicContact CE2-CD 4.3Å; Y452-K459 PolarHBondContact N-O 3.3Å; Y452-K459 PolarHBondContact O-N 3.22Å; Y452-K459 VanDerWaalsContact O-O 3.1Å; Y452-E461 HydrophobicContact CD1-CG 3.87Å; Y452-E461 HydrophobicContact CE1-CB 4.04Å; Y452-E461 VanDerWaalsContact CE1-CD 3.44Å; Y452-E461 HydrophobicContact CE1-CG 3.68Å; Y452-E461 WeakPolarHBondContact CE1-OE2 3.31Å; Y452-E461 PolarHBondContact OH-OE2 3.19Å
453	K	46.8	Very low	50.4	Low	140 Å²	140	71.7 Å²	71.7	61%	0.609	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.4	-176.6	-177.1	159.4	-175.7	144.8	0	111.6	G455 T456 D457	K453-G455 WeakPolarHBondContact CE-O 3.22Å; K453-T456 PolarHBondContact NZ-O 2.74Å; K453-D457 CarbonylContact C-O 3.47Å; K453-D457 WeakPolarHBondContact CA-O 3.43Å
454	N	51.6	Low	50.2	Low	85 Å²	85	65.5 Å²	65.5	46%	0.455	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	95.5	176.3	-162.9	-14.2	0	0	0	109.5	Y452 T456 D457 K459	Y452-N454 HydrophobicContact CD2-CB 4.46Å; Y452-N454 HydrophobicContact CE2-CB 4.01Å; N454-T456 PolarHBondContact O-N 2.71Å; N454-D457 PolarHBondContact N-O 2.03Å; N454-D457 PolarHBondContact O-N 3.31Å; N454-K459 HydrophobicContact CB-CD 3.88Å; N454-K459 HydrophobicContact CB-CG 4.46Å
455	G	59.9	Low	50.3	Low	65 Å²	65	66.1 Å²	66.1	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-112	-175.3	0	0	0	0	0	112.2	K453	K453-G455 WeakPolarHBondContact CE-O 3.22Å
456	T	43.5	Very low	50	Low	115 Å²	115	63 Å²	63	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.9	172	33.1	0	0	0	0	112.6	K453 N454	K453-T456 PolarHBondContact NZ-O 2.74Å; N454-T456 PolarHBondContact O-N 2.71Å
457	D	42.5	Very low	49.9	Very low	86 Å²	86	64.1 Å²	64.1	46%	0.46	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.6	-153.7	-45.5	-25.1	0	0	0	110.7	K453 N454	K453-D457 CarbonylContact C-O 3.47Å; K453-D457 WeakPolarHBondContact CA-O 3.43Å; N454-D457 PolarHBondContact N-O 2.03Å; N454-D457 PolarHBondContact O-N 3.31Å
458	L	46.3	Very low	49.3	Very low	100 Å²	100	66.3 Å²	66.3	52%	0.524	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.3	162.7	-104.2	73.7	0	0	0	108	Y451	Y451-L458 HydrophobicContact CD1-CD2 4.19Å; Y451-L458 HydrophobicContact CG-CD2 4.22Å
459	K	52.4	Low	48.9	Very low	47 Å²	47	71.7 Å²	71.7	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	154.7	167.3	-72.9	178.8	176.7	-81.7	0	108.3	Y451 Y452 N454 D771	Y451-K459 WeakPolarHBondContact CA-O 3.42Å; Y452-K459 HydrophobicContact CD1-CB 4.2Å; Y452-K459 HydrophobicContact CE1-CB 3.66Å; Y452-K459 HydrophobicContact CE2-CB 4.1Å; Y452-K459 HydrophobicContact CE2-CD 4.3Å; Y452-K459 PolarHBondContact N-O 3.3Å; Y452-K459 PolarHBondContact O-N 3.22Å; Y452-K459 VanDerWaalsContact O-O 3.1Å; N454-K459 HydrophobicContact CB-CD 3.88Å; N454-K459 HydrophobicContact CB-CG 4.46Å; K459-D771 IonicContact NZ-OD1 2.79Å; K459-D771 PolarHBondContact NZ-OD1 3.39Å; K459-D771 IonicContact NZ-OD2 3.66Å
460	H	53.9	Low	48.6	Very low	46 Å²	46	72.4 Å²	72.4	21%	0.213	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.1	168.2	61	96.2	0	0	0	109.8	W450 Y451 C768 Q770	W450-H460 VanDerWaalsContact O-CA 3.32Å; W450-H460 WeakPolarHBondContact O-CA 3.14Å; Y451-H460 HydrophobicContact CD1-CB 3.8Å; Y451-H460 HydrophobicContact CE1-CB 3.78Å; H460-C768 PolarHBondContact CE1-O 2.65Å; H460-C768 PolarHBondContact ND1-O 3.2Å; H460-Q770 PolarHBondContact NE2-N 3.25Å
461	E	49.9	Very low	48.2	Very low	68 Å²	68	77.7 Å²	77.7	32%	0.318	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.1	170.7	64.7	-173.3	-153	0	0	108.7	W449 W450 Y452	W449-E461 WeakPolarHBondContact CA-O 3.43Å; W449-E461 WeakPolarHBondContact CB-O 3.07Å; W450-E461 WeakPolarHBondContact CZ2-OE1 3.48Å; W450-E461 PolarHBondContact N-O 3.1Å; W450-E461 PolarHBondContact NE1-OE1 2.78Å; W450-E461 PolarHBondContact O-N 3.36Å; Y452-E461 HydrophobicContact CD1-CG 3.87Å; Y452-E461 HydrophobicContact CE1-CB 4.04Å; Y452-E461 VanDerWaalsContact CE1-CD 3.44Å; Y452-E461 HydrophobicContact CE1-CG 3.68Å; Y452-E461 WeakPolarHBondContact CE1-OE2 3.31Å; Y452-E461 PolarHBondContact OH-OE2 3.19Å
462	P	48.6	Very low	47.9	Very low	14 Å²	14	81.6 Å²	81.6	9%	0.091	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.1	176.3	26.9	-32.6	0	0	0	111	P448 F464 T761	P448-P462 CarbonylContact O-C 3.58Å; P448-P462 WeakPolarHBondContact O-CA 3.23Å; P462-F464 PolarHBondContact O-N 2.98Å; P462-T761 WeakPolarHBondContact CG-OG1 3.46Å
463	C	47.4	Very low	47.8	Very low	38 Å²	38	81.7 Å²	81.7	26%	0.257	43%	0.434	S	S	.	.	S	Bend	trans	-61.3	-24.4	177.9	-63.7	0	0	0	0	113	P448	P448-C463 WeakPolarHBondContact O-CB 3.02Å; P448-C463 PolarHBondContact O-N 3.47Å
464	F	47.7	Very low	48	Very low	79 Å²	79	79.1 Å²	79.1	35%	0.346	43%	0.432	S	S	.	.	S	Bend	trans	-139.4	131.2	175.1	-50.5	-80.8	0	0	0	106.9	P462 T466 I483 F492	P462-F464 PolarHBondContact O-N 2.98Å; F464-T466 PolarHBondContact O-N 3.49Å; F464-I483 HydrophobicContact CD1-CD1 4.4Å; F464-F492 HydrophobicContact CE1-CZ 4.31Å; F464-F492 HydrophobicContact CE2-CE1 4.09Å; F464-F492 HydrophobicContact CE2-CZ 4.19Å; F464-F492 HydrophobicContact CZ-CE1 4.05Å; F464-F492 AromaticContact CZ-CZ 3.67Å; F464-F492 HydrophobicContact CZ-CZ 3.67Å
465	N	48	Very low	48.1	Very low	43 Å²	43	80.3 Å²	80.3	23%	0.23	43%	0.434	C	S	.	.			trans	-54.6	112.1	161.7	-65	-6.7	0	0	0	106.5	C467 W757	N465-C467 PolarHBondContact O-N 2.86Å; N465-W757 HydrophobicContact CB-CE3 4.44Å; N465-W757 HydrophobicContact CB-CH2 3.72Å; N465-W757 HydrophobicContact CB-CZ3 3.59Å; N465-W757 WeakPolarHBondContact O-CH2 3.37Å; N465-W757 WeakPolarHBondContact O-CZ3 3.17Å
466	T	42.9	Very low	48	Very low	41 Å²	41	79.1 Å²	79.1	25%	0.252	41%	0.414	S	S	.	.			trans	-72.3	117.8	178.5	33.9	0	0	0	0	107.3	C446 F464 V468	C446-T466 WeakPolarHBondContact O-CG2 3.43Å; C446-T466 PolarHBondContact O-OG1 3.46Å; F464-T466 PolarHBondContact O-N 3.49Å; T466-V468 PolarHBondContact O-N 3.05Å
467	C	44.9	Very low	49.1	Very low	37 Å²	37	74.3 Å²	74.3	25%	0.25	39%	0.385	C	S	.	.			trans	-67.9	87.2	177.3	-45.6	0	0	0	0	108.2	N465 E469 C534 W757	N465-C467 PolarHBondContact O-N 2.86Å; C467-E469 PolarHBondContact O-N 3.03Å; C467-C534 WeakPolarHBondContact CB-SG 3.32Å; C467-C534 WeakPolarHBondContact SG-CB 3.34Å; C467-C534 CovalentContact SG-SG 2.07Å; C467-C534 PolarHBondContact SG-SG 3.47Å; C467-W757 HydrophobicContact CB-CZ3 4.23Å; C467-W757 VanDerWaalsContact SG-CE3 3.54Å; C467-W757 WeakPolarHBondContact SG-CZ3 3.37Å
468	V	42	Very low	50.6	Low	64 Å²	64	70.9 Å²	70.9	39%	0.388	37%	0.368	S	S	.	.			trans	-54.4	134.3	177.9	179	0	0	0	0	108.8	T466 V470	T466-V468 PolarHBondContact O-N 3.05Å; V468-V470 VanDerWaalsContact C-N 3.32Å; V468-V470 PolarHBondContact O-N 3.33Å
469	E	45.9	Very low	51.8	Low	151 Å²	151	69.6 Å²	69.6	71%	0.706	36%	0.356	S	S	*	.			trans	-67.5	96.5	168.8	-75.7	-157.1	138.9	0	0	108.6	C467 Q471	C467-E469 PolarHBondContact O-N 3.03Å; E469-Q471 PolarHBondContact O-N 3.03Å
470	V	45.6	Very low	52.6	Low	49 Å²	49	68.3 Å²	68.3	30%	0.297	35%	0.353	S	S	.	.			trans	-56	106.5	172.1	-175.4	0	0	0	0	107.7	V468 E472 D473 Y759	V468-V470 VanDerWaalsContact C-N 3.32Å; V468-V470 PolarHBondContact O-N 3.33Å; V470-E472 HydrophobicContact CG1-CB 4.48Å; V470-E472 PolarHBondContact O-N 2.91Å; V470-D473 PolarHBondContact O-N 3.24Å; V470-Y759 HydrophobicContact CG2-CE2 4.22Å; V470-Y759 VanDerWaalsContact CG2-OH 3.29Å; V470-Y759 WeakPolarHBondContact CG2-OH 3.01Å
471	Q	44.5	Very low	53.3	Low	195 Å²	195	66.2 Å²	66.2	91%	0.911	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.7	-172.6	-61.6	-174.6	8.6	0	0	112.8	E469	E469-Q471 PolarHBondContact O-N 3.03Å
472	E	47.5	Very low	53.9	Low	184 Å²	184	66 Å²	66	86%	0.86	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-5	-179.7	-54.1	-164.2	151.8	0	0	115.2	V470 P474	V470-E472 HydrophobicContact CG1-CB 4.48Å; V470-E472 PolarHBondContact O-N 2.91Å; E472-P474 WeakPolarHBondContact O-CD 3.36Å
473	D	52	Low	54.6	Low	68 Å²	68	66.3 Å²	66.3	36%	0.364	35%	0.349	S	S	.	.			trans	-114	76.6	170.3	-168.8	-10.5	0	0	0	112	V470 H475 R537	V470-D473 PolarHBondContact O-N 3.24Å; D473-H475 PolarHBondContact O-N 3.26Å; D473-R537 IonicContact OD2-CZ 3.78Å; D473-R537 IonicContact OD2-NH2 3.75Å; D473-R537 PolarHBondContact OD2-NH2 3.45Å
474	P	52.1	Low	55.6	Low	87 Å²	87	64.9 Å²	64.9	57%	0.565	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	12.9	-165.4	24.5	-33.1	0	0	0	117	E472	E472-P474 WeakPolarHBondContact O-CD 3.36Å
475	H	53.2	Low	56.1	Low	110 Å²	110	64.5 Å²	64.5	51%	0.509	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-29.8	-171.6	-63.8	88	0	0	0	115.7	D473 G503	D473-H475 PolarHBondContact O-N 3.26Å; H475-G503 WeakPolarHBondContact O-CA 3.37Å; H475-G503 PolarHBondContact O-N 3.07Å
476	V	57.3	Low	56.3	Low	40 Å²	40	69.7 Å²	69.7	24%	0.242	35%	0.354	C	S	.	.			trans	-119.4	106.1	-167.6	-175.3	0	0	0	0	111.9	Y532	V476-Y532 HydrophobicContact CG1-CD2 3.59Å; V476-Y532 HydrophobicContact CG1-CE2 3.78Å
477	A	66.8	Low	56.3	Low	13 Å²	13	70.1 Å²	70.1	11%	0.107	36%	0.359	C	S	.	.			trans	-96.3	154.3	168.6	0	0	0	0	0	112.1	Y531 Y532	A477-Y531 HydrophobicContact CB-CD1 4Å; A477-Y531 HydrophobicContact CB-CE1 4.21Å; A477-Y532 PolarHBondContact O-N 3.3Å
478	C	73.9	Confident	55.8	Low	14 Å²	14	72.3 Å²	72.3	10%	0.095	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.4	177.4	44.7	0	0	0	0	110.5	Y532 C534 R537	C478-Y532 CarbonylContact C-O 3.56Å; C478-Y532 WeakPolarHBondContact CA-O 2.97Å; C478-Y532 WeakPolarHBondContact CB-O 3.34Å; C478-C534 HydrophobicContact CB-CB 4.12Å; C478-C534 WeakPolarHBondContact CB-SG 3.33Å; C478-C534 PolarHBondContact O-SG 3.39Å; C478-C534 PolarHBondContact SG-SG 2.78Å; C478-R537 PolarHBondContact SG-NH1 2.94Å; C478-R537 VanDerWaalsContact SG-NH1 3.4Å
479	R	71.2	Confident	55.7	Low	74 Å²	74	75.1 Å²	75.1	28%	0.279	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160.1	169.3	-64.1	-72.1	-167.9	172.6	3.1	107.9	G481 L484 L494 E495 Y531 Y532 A533 C534	R479-G481 PolarHBondContact O-N 3.05Å; R479-L484 HydrophobicContact CB-CD2 4Å; R479-L484 HydrophobicContact CB-CG 4.13Å; R479-L484 HydrophobicContact CG-CD2 4.44Å; R479-L494 HydrophobicContact CG-CD2 4.17Å; R479-E495 IonicContact NH2-OE2 3.87Å; R479-E495 PolarHBondContact NH2-OE2 3.07Å; R479-Y531 HydrophobicContact CG-CD1 3.63Å; R479-Y531 HydrophobicContact CG-CD2 4.16Å; R479-Y531 HydrophobicContact CG-CE1 3.63Å; R479-Y531 HydrophobicContact CG-CE2 4.2Å; R479-Y531 HydrophobicContact CG-CG 3.88Å; R479-Y531 PolarHBondContact NE-OH 2.82Å; R479-Y531 PolarHBondContact NH2-OH 3.28Å; R479-Y532 PolarHBondContact N-O 3.37Å; R479-A533 CarbonylContact O-C 3.54Å; R479-A533 WeakPolarHBondContact O-CA 3.5Å; R479-C534 WeakPolarHBondContact CA-SG 3.28Å; R479-C534 PolarHBondContact N-SG 3.06Å; R479-C534 PolarHBondContact O-N 2.98Å
480	P	69.9	Low	55.1	Low	19 Å²	19	75 Å²	75	12%	0.123	39%	0.385	C	S	.	.			trans	-56.1	135.5	173.2	-24.5	34.4	0	0	0	111.6	I483 L484 W757	P480-I483 HydrophobicContact CB-CD1 4.15Å; P480-I483 HydrophobicContact CB-CG1 4.2Å; P480-I483 HydrophobicContact CG-CD1 3.97Å; P480-I483 WeakPolarHBondContact O-CB 3.44Å; P480-I483 PolarHBondContact O-N 2.69Å; P480-L484 PolarHBondContact O-N 3.08Å; P480-W757 HydrophobicContact CB-CZ2 4.42Å; P480-W757 HydrophobicContact CG-CH2 3.9Å; P480-W757 HydrophobicContact CG-CZ2 4.25Å
481	G	67.8	Low	54.7	Low	3 Å²	3	77.6 Å²	77.6	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-52.2	-46.2	-177.1	0	0	0	0	0	114.7	R479 I483 L484 Q485 E535	R479-G481 PolarHBondContact O-N 3.05Å; G481-I483 PolarHBondContact O-N 2.55Å; G481-L484 WeakPolarHBondContact O-CA 3.47Å; G481-L484 WeakPolarHBondContact O-CB 3.24Å; G481-L484 PolarHBondContact O-N 3.24Å; G481-Q485 WeakPolarHBondContact O-CG 3.43Å; G481-Q485 PolarHBondContact O-N 3.35Å; G481-Q485 PolarHBondContact O-OE1 2.95Å; G481-E535 VanDerWaalsContact CA-OE1 3.23Å; G481-E535 WeakPolarHBondContact CA-OE1 3.48Å; G481-E535 PolarHBondContact N-OE1 3.2Å; G481-E535 PolarHBondContact N-OE2 2.86Å
482	P	63.3	Low	54.6	Low	63 Å²	63	70.8 Å²	70.8	41%	0.409	36%	0.364	S	S	.	.	H	α-helix	trans	-54.4	-38.3	173.7	-29.7	37	0	0	0	113.6	L484 Q485 W486 E535	P482-L484 VanDerWaalsContact C-N 3.32Å; P482-L484 PolarHBondContact O-N 3.47Å; P482-Q485 PolarHBondContact O-N 3.08Å; P482-W486 VanDerWaalsContact O-CB 3.24Å; P482-W486 WeakPolarHBondContact O-CB 3.23Å; P482-W486 VanDerWaalsContact O-CG 3.26Å; P482-W486 PolarHBondContact O-N 3.44Å; P482-E535 WeakPolarHBondContact CD-OE1 3.39Å
483	I	62.9	Low	54.6	Low	20 Å²	20	70.7 Å²	70.7	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-73.1	-25.9	178.9	-54.1	-178.6	0	0	0	111.2	F464 P480 G481 F492 L494	F464-I483 HydrophobicContact CD1-CD1 4.4Å; P480-I483 HydrophobicContact CB-CD1 4.15Å; P480-I483 HydrophobicContact CB-CG1 4.2Å; P480-I483 HydrophobicContact CG-CD1 3.97Å; P480-I483 WeakPolarHBondContact O-CB 3.44Å; P480-I483 PolarHBondContact O-N 2.69Å; G481-I483 PolarHBondContact O-N 2.55Å; I483-F492 HydrophobicContact CD1-CD1 4.38Å; I483-F492 HydrophobicContact CD1-CE1 4.17Å; I483-F492 HydrophobicContact CD1-CZ 4.25Å; I483-F492 HydrophobicContact CG1-CD2 4.25Å; I483-F492 HydrophobicContact CG1-CE2 4.12Å; I483-F492 HydrophobicContact CG1-CZ 4.3Å; I483-F492 HydrophobicContact CG2-CB 3.99Å; I483-F492 HydrophobicContact CG2-CD1 4.49Å; I483-F492 HydrophobicContact CG2-CD2 4.11Å; I483-F492 HydrophobicContact CG2-CG 3.95Å; I483-L494 HydrophobicContact CG2-CD2 3.93Å; I483-L494 HydrophobicContact CG2-CG 4.29Å
484	L	67.8	Low	54.8	Low	9 Å²	9	69.8 Å²	69.8	5%	0.047	36%	0.359	C	S	.	.	H	α-helix	trans	-77.5	-29.8	172.3	-64.2	175	0	0	0	112.8	R479 P480 G481 P482 G517 Y531 Y532 A533	R479-L484 HydrophobicContact CB-CD2 4Å; R479-L484 HydrophobicContact CB-CG 4.13Å; R479-L484 HydrophobicContact CG-CD2 4.44Å; P480-L484 PolarHBondContact O-N 3.08Å; G481-L484 WeakPolarHBondContact O-CA 3.47Å; G481-L484 WeakPolarHBondContact O-CB 3.24Å; G481-L484 PolarHBondContact O-N 3.24Å; P482-L484 VanDerWaalsContact C-N 3.32Å; P482-L484 PolarHBondContact O-N 3.47Å; L484-G517 VanDerWaalsContact O-CA 3.32Å; L484-G517 WeakPolarHBondContact O-CA 3.23Å; L484-Y531 HydrophobicContact CD2-CD2 3.99Å; L484-Y531 HydrophobicContact CD2-CG 4.23Å; L484-Y532 WeakPolarHBondContact CD1-O 3.43Å; L484-A533 HydrophobicContact CD1-CB 4.26Å
485	Q	59	Low	55.1	Low	70 Å²	70	72 Å²	72	33%	0.327	36%	0.362	S	S	.	.	H	α-helix	trans	-81	-39.4	177.5	-68.3	155.3	-16	0	0	112.2	G481 P482 S487 E551	G481-Q485 WeakPolarHBondContact O-CG 3.43Å; G481-Q485 PolarHBondContact O-N 3.35Å; G481-Q485 PolarHBondContact O-OE1 2.95Å; P482-Q485 PolarHBondContact O-N 3.08Å; Q485-S487 PolarHBondContact O-N 2.98Å; Q485-E551 VanDerWaalsContact CD-OE2 3.24Å; Q485-E551 WeakPolarHBondContact CG-OE2 3.31Å; Q485-E551 PolarHBondContact NE2-OE2 2.83Å
486	W	51.2	Low	55.3	Low	152 Å²	152	71.6 Å²	71.6	58%	0.576	37%	0.369	S	S	*	.			trans	-81.5	82.8	-173.7	-71.8	28.4	0	0	0	110.8	P482 D488 I491	P482-W486 VanDerWaalsContact O-CB 3.24Å; P482-W486 WeakPolarHBondContact O-CB 3.23Å; P482-W486 VanDerWaalsContact O-CG 3.26Å; P482-W486 PolarHBondContact O-N 3.44Å; W486-D488 PolarHBondContact O-N 2.86Å; W486-I491 HydrophobicContact CE3-CD1 4.35Å; W486-I491 HydrophobicContact CZ3-CD1 4.37Å
487	S	43	Very low	55.8	Low	51 Å²	51	71.4 Å²	71.4	36%	0.357	36%	0.363	S	S	.	.			trans	-68.3	18.5	176.5	70.9	0	0	0	0	115.5	Q485 N489	Q485-S487 PolarHBondContact O-N 2.98Å; S487-N489 PolarHBondContact O-N 3.37Å; S487-N489 PolarHBondContact O-OD1 3.02Å
488	D	35	Very low	56.2	Low	82 Å²	82	74.2 Å²	74.2	44%	0.439	38%	0.382	S	S	.	.			trans	-85.3	88	173.1	-92	-9.2	0	0	0	109.7	W486 N490 I491 F492	W486-D488 PolarHBondContact O-N 2.86Å; D488-N490 PolarHBondContact O-N 3.04Å; D488-I491 PolarHBondContact O-N 3.46Å; D488-F492 PolarHBondContact O-N 2.87Å
489	N	39.7	Very low	56.6	Low	124 Å²	124	77.4 Å²	77.4	66%	0.663	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-14.9	170	-61.4	1.9	0	0	0	113.5	S487 I491	S487-N489 PolarHBondContact O-N 3.37Å; S487-N489 PolarHBondContact O-OD1 3.02Å; N489-I491 VanDerWaalsContact C-N 3.26Å; N489-I491 PolarHBondContact O-N 2.88Å
490	N	33.5	Very low	57.4	Low	148 Å²	148	73.9 Å²	73.9	79%	0.791	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.5	173	-60.2	-24.5	0	0	0	113.3	D488	D488-N490 PolarHBondContact O-N 3.04Å
491	I	36.6	Very low	58	Low	103 Å²	103	73 Å²	73	53%	0.528	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-44.4	-178.6	-50.9	178.8	0	0	0	110.4	W486 D488 N489	W486-I491 HydrophobicContact CE3-CD1 4.35Å; W486-I491 HydrophobicContact CZ3-CD1 4.37Å; D488-I491 PolarHBondContact O-N 3.46Å; N489-I491 VanDerWaalsContact C-N 3.26Å; N489-I491 PolarHBondContact O-N 2.88Å
492	F	43.9	Very low	58.8	Low	53 Å²	53	75.7 Å²	75.7	23%	0.232	39%	0.391	C	S	.	.			trans	-130.1	108.2	-179.9	-58.7	-70.1	0	0	0	111.5	F464 I483 D488 L494	F464-F492 HydrophobicContact CE1-CZ 4.31Å; F464-F492 HydrophobicContact CE2-CE1 4.09Å; F464-F492 HydrophobicContact CE2-CZ 4.19Å; F464-F492 HydrophobicContact CZ-CE1 4.05Å; F464-F492 AromaticContact CZ-CZ 3.67Å; F464-F492 HydrophobicContact CZ-CZ 3.67Å; I483-F492 HydrophobicContact CD1-CD1 4.38Å; I483-F492 HydrophobicContact CD1-CE1 4.17Å; I483-F492 HydrophobicContact CD1-CZ 4.25Å; I483-F492 HydrophobicContact CG1-CD2 4.25Å; I483-F492 HydrophobicContact CG1-CE2 4.12Å; I483-F492 HydrophobicContact CG1-CZ 4.3Å; I483-F492 HydrophobicContact CG2-CB 3.99Å; I483-F492 HydrophobicContact CG2-CD1 4.49Å; I483-F492 HydrophobicContact CG2-CD2 4.11Å; I483-F492 HydrophobicContact CG2-CG 3.95Å; D488-F492 PolarHBondContact O-N 2.87Å; F492-L494 PolarHBondContact O-N 3.26Å
493	Q	47	Very low	59.6	Low	181 Å²	181	73.4 Å²	73.4	85%	0.846	38%	0.38	S	S	*	.			trans	-80.3	94.7	164.5	-171.7	170.9	9.3	0	0	108.8	E495	Q493-E495 PolarHBondContact O-N 3.26Å
494	L	56.3	Low	60.7	Low	50 Å²	50	77.5 Å²	77.5	26%	0.262	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-62	124.3	173.5	-80.5	167.7	0	0	0	110.1	R479 I483 F492 P518	R479-L494 HydrophobicContact CG-CD2 4.17Å; I483-L494 HydrophobicContact CG2-CD2 3.93Å; I483-L494 HydrophobicContact CG2-CG 4.29Å; F492-L494 PolarHBondContact O-N 3.26Å; L494-P518 HydrophobicContact CD1-CG 3.67Å
495	E	57.2	Low	61.7	Low	134 Å²	134	82.6 Å²	82.6	63%	0.626	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-64.1	133.4	177.7	-66.6	174	125.3	0	0	110.9	R479 Q493 R497 Y531	R479-E495 IonicContact NH2-OE2 3.87Å; R479-E495 PolarHBondContact NH2-OE2 3.07Å; Q493-E495 PolarHBondContact O-N 3.26Å; E495-R497 PolarHBondContact O-N 3.21Å; E495-Y531 PolarHBondContact O-OH 3.05Å
496	P	59.2	Low	62.9	Low	101 Å²	101	80.2 Å²	80.2	66%	0.656	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-63.3	126	179.5	26.5	-34.3	0	0	0	109.9	E509	P496-E509 WeakPolarHBondContact CA-OE1 3.38Å; P496-E509 VanDerWaalsContact CB-OE1 3.3Å; P496-E509 WeakPolarHBondContact CB-OE1 3.49Å; P496-E509 WeakPolarHBondContact CB-OE2 3.29Å
497	R	66.7	Low	64.6	Low	35 Å²	35	78.1 Å²	78.1	13%	0.132	41%	0.412	C	S	.	.			trans	-112	106.2	-172.8	-168.6	177.2	-179.8	-108.9	-6.5	109.4	E495 K499 T500 C506 E509 C530 Y531	E495-R497 PolarHBondContact O-N 3.21Å; R497-K499 WeakPolarHBondContact CG-O 3.46Å; R497-K499 PolarHBondContact NH1-O 2.96Å; R497-K499 PolarHBondContact O-N 2.79Å; R497-T500 VanDerWaalsContact NH1-C 3.32Å; R497-T500 PolarHBondContact NH1-O 2.99Å; R497-C506 PolarHBondContact O-SG 2.97Å; R497-E509 PolarHBondContact N-OE1 3.46Å; R497-C530 PolarHBondContact NH1-O 2.71Å; R497-Y531 HydrophobicContact CB-CE2 4.41Å; R497-Y531 VanDerWaalsContact CD-CE1 3.49Å
498	S	75.9	Confident	66.5	Low	72 Å²	72	82.1 Å²	82.1	50%	0.503	43%	0.425	S	S	.	.	S	Bend	trans	-62.6	6	177.7	68.4	0	0	0	0	115.9	Q505 C506	S498-Q505 VanDerWaalsContact O-CD 3.26Å; S498-Q505 PolarHBondContact O-NE2 2.93Å; S498-C506 VanDerWaalsContact C-SG 3.5Å; S498-C506 PolarHBondContact O-N 3.3Å
499	K	82.2	Confident	68.3	Low	82 Å²	82	82.4 Å²	82.4	36%	0.357	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-135.1	144	175.3	-70.5	-177	178.5	179.7	0	112.1	R497 R504	R497-K499 WeakPolarHBondContact CG-O 3.46Å; R497-K499 PolarHBondContact NH1-O 2.96Å; R497-K499 PolarHBondContact O-N 2.79Å; K499-R504 CarbonylContact C-O 3.53Å; K499-R504 VanDerWaalsContact CA-O 3.23Å; K499-R504 WeakPolarHBondContact CA-O 3.48Å
500	T	86.7	Confident	69.9	Low	0 Å²	0	77.3 Å²	77.3	0%	0	40%	0.396	C	S	.	.			trans	-73.1	172.5	173.3	69.4	0	0	0	0	112.8	R497 T502 G503 R504 C520 I522 E528 C530	R497-T500 VanDerWaalsContact NH1-C 3.32Å; R497-T500 PolarHBondContact NH1-O 2.99Å; T500-T502 PolarHBondContact O-N 3.39Å; T500-T502 PolarHBondContact OG1-N 2.05Å; T500-T502 PolarHBondContact OG1-OG1 3.09Å; T500-G503 WeakPolarHBondContact O-CA 3.17Å; T500-G503 PolarHBondContact O-N 3.45Å; T500-R504 HydrophobicContact CG2-CB 4.34Å; T500-R504 PolarHBondContact N-O 2.72Å; T500-R504 WeakPolarHBondContact OG1-CB 3.18Å; T500-R504 PolarHBondContact OG1-N 2.94Å; T500-R504 VanDerWaalsContact OG1-N 3.12Å; T500-C520 HydrophobicContact CG2-CB 4.46Å; T500-C520 WeakPolarHBondContact CG2-SG 3.36Å; T500-I522 HydrophobicContact CG2-CG2 3.5Å; T500-I522 VanDerWaalsContact CG2-CG2 3.5Å; T500-E528 WeakPolarHBondContact CB-OE1 3.06Å; T500-E528 VanDerWaalsContact CB-OE2 3.23Å; T500-E528 WeakPolarHBondContact CB-OE2 3.43Å; T500-E528 HydrophobicContact CG2-CB 3.75Å; T500-E528 HydrophobicContact CG2-CG 4.19Å; T500-E528 WeakPolarHBondContact CG2-OE2 3.49Å; T500-E528 PolarHBondContact OG1-OE1 3.49Å; T500-E528 VanDerWaalsContact OG1-OE1 3.06Å; T500-E528 PolarHBondContact OG1-OE2 3.01Å; T500-C530 CarbonylContact C-O 3.59Å
501	R	83.8	Confident	71.4	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.9	175.9	70	-168.8	-178.3	175	2.8	114.9	E528 P529 C530 Y531 Y532 N553 H606 Q608	R501-E528 WeakPolarHBondContact CG-OE1 3.47Å; R501-P529 WeakPolarHBondContact CB-O 3.01Å; R501-P529 VanDerWaalsContact CG-O 3.29Å; R501-P529 WeakPolarHBondContact CG-O 3.41Å; R501-P529 PolarHBondContact N-O 3.34Å; R501-C530 PolarHBondContact N-O 2.91Å; R501-Y531 WeakPolarHBondContact CD-O 3.41Å; R501-Y532 HydrophobicContact CB-CD2 3.84Å; R501-Y532 HydrophobicContact CB-CE2 3.7Å; R501-Y532 HydrophobicContact CB-CG 4.38Å; R501-Y532 VanDerWaalsContact CD-CE1 3.41Å; R501-Y532 HydrophobicContact CG-CD2 4.26Å; R501-Y532 HydrophobicContact CG-CE1 4.05Å; R501-Y532 HydrophobicContact CG-CE2 3.75Å; R501-N553 PolarHBondContact NH1-OD1 2.63Å; R501-H606 PolarHBondContact NH2-CD2 3.14Å; R501-H606 PolarHBondContact NH2-NE2 2.72Å; R501-Q608 VanDerWaalsContact NH2-CD 3.29Å
502	T	83.5	Confident	72.6	Confident	59 Å²	59	77 Å²	77	36%	0.362	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6.5	167	60.4	0	0	0	0	113.8	T500 R504 E528	T500-T502 PolarHBondContact O-N 3.39Å; T500-T502 PolarHBondContact OG1-N 2.05Å; T500-T502 PolarHBondContact OG1-OG1 3.09Å; T502-R504 VanDerWaalsContact OG1-CD 3.32Å; T502-R504 WeakPolarHBondContact OG1-CD 3.46Å; T502-E528 WeakPolarHBondContact CB-OE1 3.22Å; T502-E528 VanDerWaalsContact CG2-OE1 3.26Å; T502-E528 WeakPolarHBondContact CG2-OE1 3.34Å; T502-E528 PolarHBondContact N-OE1 2.88Å; T502-E528 PolarHBondContact OG1-OE1 2.76Å; T502-E528 PolarHBondContact OG1-OE2 2.73Å
503	G	81.5	Confident	73.6	Confident	16 Å²	16	83.5 Å²	83.5	17%	0.165	42%	0.417	C	S	.	.			trans	84.8	7.1	174.9	0	0	0	0	0	115.2	H475 T500	H475-G503 WeakPolarHBondContact O-CA 3.37Å; H475-G503 PolarHBondContact O-N 3.07Å; T500-G503 WeakPolarHBondContact O-CA 3.17Å; T500-G503 PolarHBondContact O-N 3.45Å
504	R	86	Confident	74.6	Confident	106 Å²	106	76 Å²	76	40%	0.4	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-76	143.4	-179.1	-58.3	166.9	87.3	172.7	4.1	110	K499 T500 T502 I522 E528 E605	K499-R504 CarbonylContact C-O 3.53Å; K499-R504 VanDerWaalsContact CA-O 3.23Å; K499-R504 WeakPolarHBondContact CA-O 3.48Å; T500-R504 HydrophobicContact CG2-CB 4.34Å; T500-R504 PolarHBondContact N-O 2.72Å; T500-R504 WeakPolarHBondContact OG1-CB 3.18Å; T500-R504 PolarHBondContact OG1-N 2.94Å; T500-R504 VanDerWaalsContact OG1-N 3.12Å; T502-R504 VanDerWaalsContact OG1-CD 3.32Å; T502-R504 WeakPolarHBondContact OG1-CD 3.46Å; R504-I522 HydrophobicContact CB-CG2 4.18Å; R504-E528 WeakPolarHBondContact CD-OE2 3.31Å; R504-E605 IonicContact CZ-OE1 3.61Å; R504-E605 IonicContact CZ-OE2 2.94Å; R504-E605 IonicContact NH1-OE1 2.63Å; R504-E605 PolarHBondContact NH1-OE1 3.3Å; R504-E605 IonicContact NH1-OE2 3.27Å; R504-E605 PolarHBondContact NH1-OE2 3.35Å; R504-E605 IonicContact NH2-OE2 2.7Å
505	Q	87.3	Confident	75.2	Confident	115 Å²	115	77.1 Å²	77.1	54%	0.537	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-70.9	134.8	-176	-166.6	65.4	30.3	0	0	111.3	S498	S498-Q505 VanDerWaalsContact O-CD 3.26Å; S498-Q505 PolarHBondContact O-NE2 2.93Å
506	C	86	Confident	76.2	Confident	21 Å²	21	71.1 Å²	71.1	14%	0.142	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-77.6	133.1	175.5	-63.6	0	0	0	0	111.7	R497 S498 C520	R497-C506 PolarHBondContact O-SG 2.97Å; S498-C506 VanDerWaalsContact C-SG 3.5Å; S498-C506 PolarHBondContact O-N 3.3Å; C506-C520 WeakPolarHBondContact CA-SG 3.34Å; C506-C520 HydrophobicContact CB-CB 3.94Å; C506-C520 WeakPolarHBondContact CB-SG 3.48Å; C506-C520 WeakPolarHBondContact SG-CB 3.21Å; C506-C520 CovalentContact SG-SG 2.02Å; C506-C520 PolarHBondContact SG-SG 2.97Å
507	V	86.4	Confident	77	Confident	107 Å²	107	66.6 Å²	66.6	65%	0.648	33%	0.329	S	S	*	.	S	Bend	trans	-84.2	-43	171.9	-178.6	0	0	0	0	110.4	Y521	V507-Y521 WeakPolarHBondContact CB-O 3.38Å; V507-Y521 PolarHBondContact N-O 3.09Å
508	E	82.9	Confident	77.6	Confident	136 Å²	136	67.1 Å²	67.1	64%	0.636	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.8	149.9	-178.4	-171.7	167.6	-153	0	0	108.1	Y521	E508-Y521 HydrophobicContact CB-CD2 4.2Å; E508-Y521 PolarHBondContact O-N 2.98Å
509	E	73.2	Confident	78	Confident	87 Å²	87	63.9 Å²	63.9	41%	0.407	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.9	175.2	-64.8	-170.8	143.1	0	0	110	P496 R497 E511	P496-E509 WeakPolarHBondContact CA-OE1 3.38Å; P496-E509 VanDerWaalsContact CB-OE1 3.3Å; P496-E509 WeakPolarHBondContact CB-OE1 3.49Å; P496-E509 WeakPolarHBondContact CB-OE2 3.29Å; R497-E509 PolarHBondContact N-OE1 3.46Å; E509-E511 PolarHBondContact O-N 2.77Å
510	D	73	Confident	78.2	Confident	17 Å²	17	60 Å²	60	9%	0.091	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	97.5	-179.2	-175.7	-1.4	0	0	0	109.2	S512 M519 Y521 R527 K602	D510-S512 PolarHBondContact O-N 3.04Å; D510-S512 VanDerWaalsContact OD1-CB 3.3Å; D510-S512 WeakPolarHBondContact OD1-CB 3.44Å; D510-S512 PolarHBondContact OD1-N 2.99Å; D510-S512 PolarHBondContact OD1-OG 3.16Å; D510-S512 PolarHBondContact OD2-OG 3.38Å; D510-M519 HydrophobicContact CB-CB 3.91Å; D510-M519 PolarHBondContact N-O 3.34Å; D510-Y521 HydrophobicContact CB-CD2 4.09Å; D510-Y521 HydrophobicContact CB-CE2 3.61Å; D510-R527 IonicContact OD2-CZ 3.22Å; D510-R527 IonicContact OD2-NH1 2.95Å; D510-R527 PolarHBondContact OD2-NH1 3.01Å; D510-K602 IonicContact OD1-NZ 3.66Å; D510-K602 PolarHBondContact OD1-NZ 3.25Å; D510-K602 IonicContact OD2-NZ 2.67Å; D510-K602 PolarHBondContact OD2-NZ 3.39Å
511	E	64.7	Low	78.3	Confident	193 Å²	193	61.8 Å²	61.8	90%	0.902	30%	0.304	S	S	*	.			trans	-58.9	-7.5	178.4	-63.4	-171.2	156.9	0	0	114.2	E509 R513	E509-E511 PolarHBondContact O-N 2.77Å; E511-R513 PolarHBondContact O-N 3.22Å; E511-R513 VanDerWaalsContact O-N 3.17Å
512	S	62.1	Low	78.5	Confident	51 Å²	51	63 Å²	63	36%	0.357	31%	0.311	S	S	.	.	S	Bend	trans	-67.2	115.6	178.1	64.1	0	0	0	0	112.1	D510 S514	D510-S512 PolarHBondContact O-N 3.04Å; D510-S512 VanDerWaalsContact OD1-CB 3.3Å; D510-S512 WeakPolarHBondContact OD1-CB 3.44Å; D510-S512 PolarHBondContact OD1-N 2.99Å; D510-S512 PolarHBondContact OD1-OG 3.16Å; D510-S512 PolarHBondContact OD2-OG 3.38Å; S512-S514 PolarHBondContact O-N 2.88Å; S512-S514 VanDerWaalsContact O-N 3.1Å
513	R	64.1	Low	78.7	Confident	191 Å²	191	63.4 Å²	63.4	72%	0.721	31%	0.31	S	S	*	.			trans	-47.8	118	172.8	-67.4	-176.8	177.3	-164.3	-7.1	110.1	E511	E511-R513 PolarHBondContact O-N 3.22Å; E511-R513 VanDerWaalsContact O-N 3.17Å
514	S	68.4	Low	78.8	Confident	22 Å²	22	67.4 Å²	67.4	15%	0.154	34%	0.342	C	S	.	.			trans	-129.6	136.6	-177.2	-157.4	0	0	0	0	110.2	S512 I516 G517 R527 L599	S512-S514 PolarHBondContact O-N 2.88Å; S512-S514 VanDerWaalsContact O-N 3.1Å; S514-I516 PolarHBondContact O-N 3.29Å; S514-G517 PolarHBondContact O-N 3.36Å; S514-R527 PolarHBondContact OG-NH2 3.08Å; S514-L599 WeakPolarHBondContact OG-CD1 3.03Å
515	Y	69.3	Low	78.8	Confident	75 Å²	75	66.6 Å²	66.6	29%	0.294	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.1	-177	176.9	-100	0	0	0	114.3	E551 T614 L615	Y515-E551 WeakPolarHBondContact CE2-OE1 3.13Å; Y515-E551 WeakPolarHBondContact CE2-OE2 3.15Å; Y515-E551 VanDerWaalsContact CZ-CD 3.46Å; Y515-E551 VanDerWaalsContact OH-CG 3.3Å; Y515-E551 WeakPolarHBondContact OH-CG 3.46Å; Y515-E551 PolarHBondContact OH-OE1 3.26Å; Y515-E551 PolarHBondContact OH-OE2 2.94Å; Y515-T614 WeakPolarHBondContact OH-CB 3.43Å; Y515-T614 PolarHBondContact OH-OG1 2.91Å; Y515-L615 HydrophobicContact CD1-CD2 3.47Å; Y515-L615 VanDerWaalsContact CD1-CD2 3.47Å; Y515-L615 HydrophobicContact CE1-CD2 3.37Å; Y515-L615 HydrophobicContact CE1-CG 4.13Å; Y515-L615 HydrophobicContact CG-CD2 4.11Å
516	I	77	Confident	78.9	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.036	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.4	-179.3	-60	-177	0	0	0	111.2	S514 M519 P529 N553 L599 M604 L610	S514-I516 PolarHBondContact O-N 3.29Å; I516-M519 HydrophobicContact CB-CE 3.68Å; I516-M519 HydrophobicContact CG2-CE 3.98Å; I516-P529 HydrophobicContact CG2-CB 3.96Å; I516-P529 HydrophobicContact CG2-CG 3.71Å; I516-N553 WeakPolarHBondContact CG2-OD1 3.36Å; I516-N553 PolarHBondContact O-ND2 3.35Å; I516-L599 HydrophobicContact CD1-CD1 4.15Å; I516-L599 HydrophobicContact CD1-CD2 3.93Å; I516-L599 HydrophobicContact CG1-CD1 4.27Å; I516-M604 HydrophobicContact CD1-CE 4.4Å; I516-L610 HydrophobicContact CD1-CD2 3.85Å
517	G	76.7	Confident	79.1	Confident	7 Å²	7	61.7 Å²	61.7	7%	0.072	33%	0.325	C	S	.	.	S	Bend	trans	96.4	-161.8	-179	0	0	0	0	0	113.8	L484 S514 M519	L484-G517 VanDerWaalsContact O-CA 3.32Å; L484-G517 WeakPolarHBondContact O-CA 3.23Å; S514-G517 PolarHBondContact O-N 3.36Å; G517-M519 WeakPolarHBondContact O-CE 3.5Å
518	P	79.5	Confident	79.2	Confident	46 Å²	46	56.8 Å²	56.8	30%	0.299	30%	0.295	S	S	.	.			trans	-60.7	146.7	176.6	-23.5	33.8	0	0	0	113.2	L494 P529 C530 Y531	L494-P518 HydrophobicContact CD1-CG 3.67Å; P518-P529 WeakPolarHBondContact O-CA 3.49Å; P518-C530 HydrophobicContact CB-CB 4.25Å; P518-C530 PolarHBondContact O-N 3.03Å; P518-Y531 HydrophobicContact CG-CD2 4.44Å; P518-Y531 HydrophobicContact CG-CE2 4.43Å
519	M	84.1	Confident	79.4	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.5	-171.2	-62.9	-73.8	135.2	0	0	110	D510 I516 G517 P529 M604	D510-M519 HydrophobicContact CB-CB 3.91Å; D510-M519 PolarHBondContact N-O 3.34Å; I516-M519 HydrophobicContact CB-CE 3.68Å; I516-M519 HydrophobicContact CG2-CE 3.98Å; G517-M519 WeakPolarHBondContact O-CE 3.5Å; M519-P529 HydrophobicContact CE-CB 3.48Å; M519-P529 VanDerWaalsContact CE-CB 3.48Å; M519-P529 HydrophobicContact CE-CG 3.6Å; M519-P529 HydrophobicContact SD-CB 3.97Å; M519-P529 HydrophobicContact SD-CG 3.76Å; M519-M604 HydrophobicContact SD-SD 3.88Å
520	C	85.8	Confident	80	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.1	-177.8	131.8	0	0	0	0	111.7	T500 C506 R527 E528 C530	T500-C520 HydrophobicContact CG2-CB 4.46Å; T500-C520 WeakPolarHBondContact CG2-SG 3.36Å; C506-C520 WeakPolarHBondContact CA-SG 3.34Å; C506-C520 HydrophobicContact CB-CB 3.94Å; C506-C520 WeakPolarHBondContact CB-SG 3.48Å; C506-C520 WeakPolarHBondContact SG-CB 3.21Å; C506-C520 CovalentContact SG-SG 2.02Å; C506-C520 PolarHBondContact SG-SG 2.97Å; C520-R527 CarbonylContact O-C 3.47Å; C520-R527 WeakPolarHBondContact O-CA 3.38Å; C520-E528 PolarHBondContact N-O 3Å; C520-E528 PolarHBondContact O-N 2.61Å; C520-C530 VanDerWaalsContact CB-SG 3.55Å
521	Y	89.3	Confident	80.5	Confident	39 Å²	39	46 Å²	46	15%	0.153	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.5	178.1	-75.9	-80	0	0	0	111.4	V507 E508 D510 N523 R527 K602	V507-Y521 WeakPolarHBondContact CB-O 3.38Å; V507-Y521 PolarHBondContact N-O 3.09Å; E508-Y521 HydrophobicContact CB-CD2 4.2Å; E508-Y521 PolarHBondContact O-N 2.98Å; D510-Y521 HydrophobicContact CB-CD2 4.09Å; D510-Y521 HydrophobicContact CB-CE2 3.61Å; Y521-N523 WeakPolarHBondContact CD1-O 3.49Å; Y521-R527 HydrophobicContact CD1-CB 4.33Å; Y521-R527 HydrophobicContact CE1-CB 4.43Å; Y521-K602 WeakPolarHBondContact OH-CD 2.95Å; Y521-K602 WeakPolarHBondContact OH-CE 3.41Å; Y521-K602 PolarHBondContact OH-NZ 2.98Å
522	I	88.8	Confident	81.4	Confident	26 Å²	26	37.3 Å²	37.3	13%	0.133	20%	0.203	C	C	.	.	S	Bend	trans	-86.9	-17.7	171.9	55.6	167.1	0	0	0	112.4	T500 R504 T526 E528 E605	T500-I522 HydrophobicContact CG2-CG2 3.5Å; T500-I522 VanDerWaalsContact CG2-CG2 3.5Å; R504-I522 HydrophobicContact CB-CG2 4.18Å; I522-T526 HydrophobicContact CD1-CG2 4.07Å; I522-T526 HydrophobicContact CG1-CG2 4.28Å; I522-T526 VanDerWaalsContact CG1-O 3.27Å; I522-T526 WeakPolarHBondContact CG1-O 3.37Å; I522-T526 PolarHBondContact N-O 3.49Å; I522-E528 HydrophobicContact CG2-CB 3.99Å; I522-E605 HydrophobicContact CD1-CB 4.19Å; I522-E605 VanDerWaalsContact CD1-OE2 3.22Å; I522-E605 WeakPolarHBondContact CD1-OE2 3.42Å
523	N	87.7	Confident	82.3	Confident	67 Å²	67	34.9 Å²	34.9	36%	0.358	19%	0.186	S	C	.	.	S	Bend	trans	-156.5	174.7	168.5	67.7	59.4	0	0	0	108.6	Y521 T525 T526	Y521-N523 WeakPolarHBondContact CD1-O 3.49Å; N523-T525 PolarHBondContact O-N 3.34Å; N523-T525 PolarHBondContact OD1-N 3.01Å; N523-T525 PolarHBondContact OD1-OG1 2.92Å; N523-T525 VanDerWaalsContact OD1-OG1 3.06Å; N523-T526 PolarHBondContact N-O 3.31Å; N523-T526 VanDerWaalsContact ND2-CB 3.28Å; N523-T526 WeakPolarHBondContact ND2-CB 3.45Å; N523-T526 PolarHBondContact ND2-OG1 3.38Å; N523-T526 PolarHBondContact O-N 3.1Å; N523-T526 WeakPolarHBondContact OD1-CB 3.02Å; N523-T526 PolarHBondContact OD1-N 3.2Å; N523-T526 PolarHBondContact OD1-OG1 2.92Å; N523-T526 VanDerWaalsContact OD1-OG1 3.1Å
524	A	83	Confident	82.9	Confident	99 Å²	99	25.9 Å²	25.9	82%	0.818	15%	0.152	S	C	*	.	S	Bend	trans	-60.5	-3.1	-174.2	0	0	0	0	0	116.9
525	T	85.4	Confident	83.2	Confident	89 Å²	89	26.4 Å²	26.4	55%	0.546	15%	0.153	S	C	.	.	S	Bend	trans	-137.1	-20.3	179.5	60.3	0	0	0	0	114.5	N523	N523-T525 PolarHBondContact O-N 3.34Å; N523-T525 PolarHBondContact OD1-N 3.01Å; N523-T525 PolarHBondContact OD1-OG1 2.92Å; N523-T525 VanDerWaalsContact OD1-OG1 3.06Å
526	T	88.7	Confident	84	Confident	28 Å²	28	23.5 Å²	23.5	17%	0.172	14%	0.142	C	C	.	.			trans	-112.3	130.2	-172.7	-42.3	0	0	0	0	110.6	I522 N523 P603 E605	I522-T526 HydrophobicContact CD1-CG2 4.07Å; I522-T526 HydrophobicContact CG1-CG2 4.28Å; I522-T526 VanDerWaalsContact CG1-O 3.27Å; I522-T526 WeakPolarHBondContact CG1-O 3.37Å; I522-T526 PolarHBondContact N-O 3.49Å; N523-T526 PolarHBondContact N-O 3.31Å; N523-T526 VanDerWaalsContact ND2-CB 3.28Å; N523-T526 WeakPolarHBondContact ND2-CB 3.45Å; N523-T526 PolarHBondContact ND2-OG1 3.38Å; N523-T526 PolarHBondContact O-N 3.1Å; N523-T526 WeakPolarHBondContact OD1-CB 3.02Å; N523-T526 PolarHBondContact OD1-N 3.2Å; N523-T526 PolarHBondContact OD1-OG1 2.92Å; N523-T526 VanDerWaalsContact OD1-OG1 3.1Å; T526-P603 WeakPolarHBondContact CA-O 3.4Å; T526-E605 HydrophobicContact CG2-CB 4.33Å
527	R	90.4	Very high	84.1	Confident	6 Å²	6	25.8 Å²	25.8	2%	0.023	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	157.7	176.7	74.6	-148	-164.3	103.7	15.8	112.5	D510 S514 C520 Y521 L599 P603 M604 E605	D510-R527 IonicContact OD2-CZ 3.22Å; D510-R527 IonicContact OD2-NH1 2.95Å; D510-R527 PolarHBondContact OD2-NH1 3.01Å; S514-R527 PolarHBondContact OG-NH2 3.08Å; C520-R527 CarbonylContact O-C 3.47Å; C520-R527 WeakPolarHBondContact O-CA 3.38Å; Y521-R527 HydrophobicContact CD1-CB 4.33Å; Y521-R527 HydrophobicContact CE1-CB 4.43Å; R527-L599 PolarHBondContact NH2-O 2.98Å; R527-P603 PolarHBondContact N-O 3.03Å; R527-M604 HydrophobicContact CG-CB 4Å; R527-M604 HydrophobicContact CG-CG 3.96Å; R527-M604 HydrophobicContact CG-SD 4.43Å; R527-M604 CarbonylContact O-C 3.53Å; R527-M604 VanDerWaalsContact O-CA 3.28Å; R527-M604 WeakPolarHBondContact O-CA 3.14Å; R527-E605 PolarHBondContact O-N 3.21Å
528	E	89.4	Confident	84.2	Confident	3 Å²	3	29.4 Å²	29.4	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.1	172.8	-170	-167.1	151.3	0	0	108.7	T500 R501 T502 R504 C520 I522	T500-E528 WeakPolarHBondContact CB-OE1 3.06Å; T500-E528 VanDerWaalsContact CB-OE2 3.23Å; T500-E528 WeakPolarHBondContact CB-OE2 3.43Å; T500-E528 HydrophobicContact CG2-CB 3.75Å; T500-E528 HydrophobicContact CG2-CG 4.19Å; T500-E528 WeakPolarHBondContact CG2-OE2 3.49Å; T500-E528 PolarHBondContact OG1-OE1 3.49Å; T500-E528 VanDerWaalsContact OG1-OE1 3.06Å; T500-E528 PolarHBondContact OG1-OE2 3.01Å; R501-E528 WeakPolarHBondContact CG-OE1 3.47Å; T502-E528 WeakPolarHBondContact CB-OE1 3.22Å; T502-E528 VanDerWaalsContact CG2-OE1 3.26Å; T502-E528 WeakPolarHBondContact CG2-OE1 3.34Å; T502-E528 PolarHBondContact N-OE1 2.88Å; T502-E528 PolarHBondContact OG1-OE1 2.76Å; T502-E528 PolarHBondContact OG1-OE2 2.73Å; R504-E528 WeakPolarHBondContact CD-OE2 3.31Å; C520-E528 PolarHBondContact N-O 3Å; C520-E528 PolarHBondContact O-N 2.61Å; I522-E528 HydrophobicContact CG2-CB 3.99Å
529	P	88	Confident	84.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143.9	175.9	-18.8	31.8	0	0	0	112.7	R501 I516 P518 M519 Y531 M604	R501-P529 WeakPolarHBondContact CB-O 3.01Å; R501-P529 VanDerWaalsContact CG-O 3.29Å; R501-P529 WeakPolarHBondContact CG-O 3.41Å; R501-P529 PolarHBondContact N-O 3.34Å; I516-P529 HydrophobicContact CG2-CB 3.96Å; I516-P529 HydrophobicContact CG2-CG 3.71Å; P518-P529 WeakPolarHBondContact O-CA 3.49Å; M519-P529 HydrophobicContact CE-CB 3.48Å; M519-P529 VanDerWaalsContact CE-CB 3.48Å; M519-P529 HydrophobicContact CE-CG 3.6Å; M519-P529 HydrophobicContact SD-CB 3.97Å; M519-P529 HydrophobicContact SD-CG 3.76Å; P529-Y531 VanDerWaalsContact C-N 3.35Å; P529-Y531 PolarHBondContact O-N 3.39Å; P529-M604 HydrophobicContact CG-SD 4.27Å
530	C	84.1	Confident	84.6	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.014	18%	0.178	C	C	.	.	S	Bend	trans	-74.9	-22.3	-174.6	-60.2	0	0	0	0	114.3	R497 T500 R501 P518 C520	R497-C530 PolarHBondContact NH1-O 2.71Å; T500-C530 CarbonylContact C-O 3.59Å; R501-C530 PolarHBondContact N-O 2.91Å; P518-C530 HydrophobicContact CB-CB 4.25Å; P518-C530 PolarHBondContact O-N 3.03Å; C520-C530 VanDerWaalsContact CB-SG 3.55Å
531	Y	83.3	Confident	84.8	Confident	11 Å²	11	32.9 Å²	32.9	4%	0.043	18%	0.178	C	C	.	.			trans	-141.4	158.9	-172.2	-60.3	-79.2	0	0	0	111.8	A477 R479 L484 E495 R497 R501 P518 P529	A477-Y531 HydrophobicContact CB-CD1 4Å; A477-Y531 HydrophobicContact CB-CE1 4.21Å; R479-Y531 HydrophobicContact CG-CD1 3.63Å; R479-Y531 HydrophobicContact CG-CD2 4.16Å; R479-Y531 HydrophobicContact CG-CE1 3.63Å; R479-Y531 HydrophobicContact CG-CE2 4.2Å; R479-Y531 HydrophobicContact CG-CG 3.88Å; R479-Y531 PolarHBondContact NE-OH 2.82Å; R479-Y531 PolarHBondContact NH2-OH 3.28Å; L484-Y531 HydrophobicContact CD2-CD2 3.99Å; L484-Y531 HydrophobicContact CD2-CG 4.23Å; E495-Y531 PolarHBondContact O-OH 3.05Å; R497-Y531 HydrophobicContact CB-CE2 4.41Å; R497-Y531 VanDerWaalsContact CD-CE1 3.49Å; R501-Y531 WeakPolarHBondContact CD-O 3.41Å; P518-Y531 HydrophobicContact CG-CD2 4.44Å; P518-Y531 HydrophobicContact CG-CE2 4.43Å; P529-Y531 VanDerWaalsContact C-N 3.35Å; P529-Y531 PolarHBondContact O-N 3.39Å
532	Y	85.4	Confident	84.8	Confident	11 Å²	11	31 Å²	31	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	163	152.6	-64.5	-71.2	0	0	0	110.2	V476 A477 C478 R479 L484 R501 N553 G554 P555 Q608	V476-Y532 HydrophobicContact CG1-CD2 3.59Å; V476-Y532 HydrophobicContact CG1-CE2 3.78Å; A477-Y532 PolarHBondContact O-N 3.3Å; C478-Y532 CarbonylContact C-O 3.56Å; C478-Y532 WeakPolarHBondContact CA-O 2.97Å; C478-Y532 WeakPolarHBondContact CB-O 3.34Å; R479-Y532 PolarHBondContact N-O 3.37Å; L484-Y532 WeakPolarHBondContact CD1-O 3.43Å; R501-Y532 HydrophobicContact CB-CD2 3.84Å; R501-Y532 HydrophobicContact CB-CE2 3.7Å; R501-Y532 HydrophobicContact CB-CG 4.38Å; R501-Y532 VanDerWaalsContact CD-CE1 3.41Å; R501-Y532 HydrophobicContact CG-CD2 4.26Å; R501-Y532 HydrophobicContact CG-CE1 4.05Å; R501-Y532 HydrophobicContact CG-CE2 3.75Å; Y532-N553 WeakPolarHBondContact CA-O 3.37Å; Y532-G554 VanDerWaalsContact CE1-C 3.47Å; Y532-G554 WeakPolarHBondContact CE1-O 3.31Å; Y532-P555 HydrophobicContact CE1-CB 4.05Å; Y532-P555 HydrophobicContact CE2-CB 4.08Å; Y532-Q608 HydrophobicContact CE1-CG 4.14Å; Y532-Q608 PolarHBondContact OH-NE2 3.49Å
533	A	81	Confident	84.6	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133.4	162.4	0	0	0	0	0	109.4	R479 L484 E535 H536 R537 N553	R479-A533 CarbonylContact O-C 3.54Å; R479-A533 WeakPolarHBondContact O-CA 3.5Å; L484-A533 HydrophobicContact CD1-CB 4.26Å; A533-E535 VanDerWaalsContact C-N 3.26Å; A533-E535 HydrophobicContact CB-CG 4.1Å; A533-E535 WeakPolarHBondContact CB-OE2 3.49Å; A533-E535 PolarHBondContact O-N 2.94Å; A533-H536 HydrophobicContact CB-CB 4.01Å; A533-H536 VanDerWaalsContact CB-ND1 3.28Å; A533-H536 WeakPolarHBondContact CB-ND1 3.07Å; A533-H536 PolarHBondContact O-N 2.88Å; A533-H536 VanDerWaalsContact O-N 3.12Å; A533-R537 PolarHBondContact O-N 3.37Å; A533-N553 HydrophobicContact CB-CB 4.22Å; A533-N553 PolarHBondContact N-O 3.13Å
534	C	75.5	Confident	84.3	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-40.7	-178	-60.9	0	0	0	0	110.2	C467 C478 R479 H536 R537 W757	C467-C534 WeakPolarHBondContact CB-SG 3.32Å; C467-C534 WeakPolarHBondContact SG-CB 3.34Å; C467-C534 CovalentContact SG-SG 2.07Å; C467-C534 PolarHBondContact SG-SG 3.47Å; C478-C534 HydrophobicContact CB-CB 4.12Å; C478-C534 WeakPolarHBondContact CB-SG 3.33Å; C478-C534 PolarHBondContact O-SG 3.39Å; C478-C534 PolarHBondContact SG-SG 2.78Å; R479-C534 WeakPolarHBondContact CA-SG 3.28Å; R479-C534 PolarHBondContact N-SG 3.06Å; R479-C534 PolarHBondContact O-N 2.98Å; C534-H536 VanDerWaalsContact C-N 3.32Å; C534-H536 PolarHBondContact O-N 3.15Å; C534-R537 VanDerWaalsContact O-CB 3.32Å; C534-R537 WeakPolarHBondContact O-CB 3.39Å; C534-R537 PolarHBondContact O-N 3.07Å; C534-W757 VanDerWaalsContact C-CD1 3.45Å; C534-W757 VanDerWaalsContact C-CG 3.4Å; C534-W757 HydrophobicContact CB-CB 4.27Å; C534-W757 HydrophobicContact CB-CD2 3.23Å; C534-W757 HydrophobicContact CB-CE3 3.46Å; C534-W757 VanDerWaalsContact CB-CE3 3.46Å; C534-W757 HydrophobicContact CB-CG 3.63Å; C534-W757 HydrophobicContact CB-CH2 4.2Å; C534-W757 HydrophobicContact CB-CZ2 4.02Å; C534-W757 HydrophobicContact CB-CZ3 3.97Å; C534-W757 WeakPolarHBondContact O-CB 3.27Å
535	E	75.1	Confident	84	Confident	34 Å²	34	33.7 Å²	33.7	16%	0.159	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-34.2	174.4	55.8	-90.7	-118.2	0	0	114.8	G481 P482 A533 N756	G481-E535 VanDerWaalsContact CA-OE1 3.23Å; G481-E535 WeakPolarHBondContact CA-OE1 3.48Å; G481-E535 PolarHBondContact N-OE1 3.2Å; G481-E535 PolarHBondContact N-OE2 2.86Å; P482-E535 WeakPolarHBondContact CD-OE1 3.39Å; A533-E535 VanDerWaalsContact C-N 3.26Å; A533-E535 HydrophobicContact CB-CG 4.1Å; A533-E535 WeakPolarHBondContact CB-OE2 3.49Å; A533-E535 PolarHBondContact O-N 2.94Å; E535-N756 WeakPolarHBondContact CA-OD1 3.46Å; E535-N756 WeakPolarHBondContact CB-OD1 3.47Å
536	H	85.8	Confident	83.7	Confident	14 Å²	14	34.2 Å²	34.2	7%	0.065	16%	0.162	C	C	.	.	H	α-helix	trans	-89.4	-6.5	-176.1	-60.3	145.4	0	0	0	112.8	A533 C534 E551 Y552 N553 G554 P555	A533-H536 HydrophobicContact CB-CB 4.01Å; A533-H536 VanDerWaalsContact CB-ND1 3.28Å; A533-H536 WeakPolarHBondContact CB-ND1 3.07Å; A533-H536 PolarHBondContact O-N 2.88Å; A533-H536 VanDerWaalsContact O-N 3.12Å; C534-H536 VanDerWaalsContact C-N 3.32Å; C534-H536 PolarHBondContact O-N 3.15Å; H536-E551 PolarHBondContact CE1-O 2.78Å; H536-E551 VanDerWaalsContact CE1-O 3.26Å; H536-Y552 HydrophobicContact CB-CD2 3.82Å; H536-Y552 HydrophobicContact CB-CE2 3.55Å; H536-Y552 AromaticContact CD2-CD2 3.84Å; H536-Y552 AromaticContact CG-CD2 3.77Å; H536-Y552 PolarHBondContact O-OH 2.8Å; H536-Y552 VanDerWaalsContact O-OH 3.1Å; H536-N553 PolarHBondContact ND1-N 3.38Å; H536-G554 WeakPolarHBondContact O-CA 3.37Å; H536-P555 WeakPolarHBondContact O-CD 3.09Å
537	R	79.9	Confident	83.3	Confident	55 Å²	55	33.6 Å²	33.6	21%	0.208	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-52.4	-175.4	-172.7	-179.5	179.7	164.9	-1.8	113	D473 C478 A533 C534 P555	D473-R537 IonicContact OD2-CZ 3.78Å; D473-R537 IonicContact OD2-NH2 3.75Å; D473-R537 PolarHBondContact OD2-NH2 3.45Å; C478-R537 PolarHBondContact SG-NH1 2.94Å; C478-R537 VanDerWaalsContact SG-NH1 3.4Å; A533-R537 PolarHBondContact O-N 3.37Å; C534-R537 VanDerWaalsContact O-CB 3.32Å; C534-R537 WeakPolarHBondContact O-CB 3.39Å; C534-R537 PolarHBondContact O-N 3.07Å; R537-P555 WeakPolarHBondContact O-CD 3.5Å; R537-P555 VanDerWaalsContact O-CG 3.24Å; R537-P555 WeakPolarHBondContact O-CG 3.34Å
538	N	78.4	Confident	82.5	Confident	82 Å²	82	37 Å²	37	44%	0.439	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	19.4	-175.4	-67.1	-10.9	0	0	0	112.5	F540 H755	N538-F540 WeakPolarHBondContact O-CD2 3.13Å; N538-F540 WeakPolarHBondContact O-CE2 3.45Å; N538-F540 PolarHBondContact O-N 3.4Å; N538-H755 WeakPolarHBondContact CB-O 3.38Å
539	L	86.1	Confident	81.7	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	20%	0.202	C	C	.	.			trans	-74.8	112.8	-174.1	-165.7	71	0	0	0	111.7	C541 I542 I550 Y552 F652 E752	L539-C541 WeakPolarHBondContact CD1-O 3.48Å; L539-C541 WeakPolarHBondContact CG-O 3.24Å; L539-I542 HydrophobicContact CD2-CD1 4.11Å; L539-I542 HydrophobicContact CD2-CG1 3.6Å; L539-I542 HydrophobicContact CG-CG1 4.13Å; L539-I550 HydrophobicContact CD2-CD1 3.85Å; L539-Y552 HydrophobicContact CB-CE2 4.11Å; L539-Y552 HydrophobicContact CD2-CD2 3.61Å; L539-Y552 HydrophobicContact CD2-CE2 3.57Å; L539-Y552 HydrophobicContact CG-CE2 4.45Å; L539-F652 HydrophobicContact CB-CE1 4.29Å; L539-F652 HydrophobicContact CD2-CE1 3.95Å; L539-F652 HydrophobicContact CD2-CZ 4.13Å; L539-F652 HydrophobicContact CG-CE1 3.89Å; L539-F652 HydrophobicContact CG-CZ 4.44Å; L539-F652 VanDerWaalsContact O-CE1 3.31Å; L539-F652 WeakPolarHBondContact O-CE1 3.43Å; L539-E752 HydrophobicContact CD1-CG 3.78Å
540	F	86.3	Confident	81.2	Confident	114 Å²	114	42.6 Å²	42.6	50%	0.5	21%	0.206	S	C	.	.			trans	-97.6	-42.6	-179.8	-61.3	-73.7	0	0	0	113.1	N538 K556 F652 H755	N538-F540 WeakPolarHBondContact O-CD2 3.13Å; N538-F540 WeakPolarHBondContact O-CE2 3.45Å; N538-F540 PolarHBondContact O-N 3.4Å; F540-K556 PolarHBondContact O-NZ 3.35Å; F540-F652 WeakPolarHBondContact O-CD1 3.38Å; F540-H755 HydrophobicContact CD2-CB 3.88Å; F540-H755 AromaticContact CD2-CD2 3.53Å; F540-H755 AromaticContact CD2-CG 3.66Å; F540-H755 HydrophobicContact CE2-CB 4.28Å
541	C	90.1	Very high	81.2	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.007	22%	0.219	C	C	.	.			trans	-122.9	170.2	171.4	68.3	0	0	0	0	109.8	L539 C655 M658	L539-C541 WeakPolarHBondContact CD1-O 3.48Å; L539-C541 WeakPolarHBondContact CG-O 3.24Å; C541-C655 HydrophobicContact CB-CB 3.89Å; C541-C655 WeakPolarHBondContact CB-SG 3.38Å; C541-C655 WeakPolarHBondContact SG-CA 3.42Å; C541-C655 WeakPolarHBondContact SG-CB 3.41Å; C541-C655 CovalentContact SG-SG 2.03Å; C541-C655 PolarHBondContact SG-SG 3.23Å; C541-M658 HydrophobicContact CB-CE 3.73Å; C541-M658 HydrophobicContact CB-SD 3.85Å
542	I	88.2	Confident	81.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-132	141.3	174.3	-64.8	157	0	0	0	106.8	L539 H546 M547 I550 P636 F652 T654 C655	L539-I542 HydrophobicContact CD2-CD1 4.11Å; L539-I542 HydrophobicContact CD2-CG1 3.6Å; L539-I542 HydrophobicContact CG-CG1 4.13Å; I542-H546 HydrophobicContact CG2-CB 3.91Å; I542-M547 HydrophobicContact CB-CE 3.69Å; I542-M547 HydrophobicContact CB-SD 3.83Å; I542-M547 HydrophobicContact CD1-SD 3.81Å; I542-M547 HydrophobicContact CG1-SD 4.42Å; I542-M547 HydrophobicContact CG2-CB 4.21Å; I542-M547 HydrophobicContact CG2-CE 4.25Å; I542-M547 HydrophobicContact CG2-SD 4.06Å; I542-I550 HydrophobicContact CD1-CD1 3.88Å; I542-I550 HydrophobicContact CD1-CG2 4.11Å; I542-I550 HydrophobicContact CG1-CD1 3.84Å; I542-I550 HydrophobicContact CG2-CD1 3.98Å; I542-I550 HydrophobicContact CG2-CG2 4.28Å; I542-P636 HydrophobicContact CD1-CG 3.81Å; I542-F652 HydrophobicContact CD1-CB 3.94Å; I542-F652 HydrophobicContact CD1-CD1 3.53Å; I542-F652 HydrophobicContact CD1-CD2 3.64Å; I542-F652 HydrophobicContact CD1-CE1 3.85Å; I542-F652 HydrophobicContact CD1-CE2 3.96Å; I542-F652 HydrophobicContact CD1-CG 3.42Å; I542-F652 VanDerWaalsContact CD1-CG 3.42Å; I542-F652 HydrophobicContact CD1-CZ 4.06Å; I542-F652 HydrophobicContact CG1-CD1 3.72Å; I542-F652 HydrophobicContact CG1-CE1 4Å; I542-F652 HydrophobicContact CG1-CG 4.1Å; I542-T654 CarbonylContact O-C 3.59Å; I542-T654 VanDerWaalsContact O-CA 3.22Å; I542-T654 WeakPolarHBondContact O-CA 3.25Å; I542-C655 PolarHBondContact N-SG 3.05Å; I542-C655 VanDerWaalsContact N-SG 3.39Å; I542-C655 PolarHBondContact O-N 3.3Å
543	D	85.1	Confident	81.6	Confident	43 Å²	43	45.3 Å²	45.3	23%	0.23	22%	0.219	C	C	.	.			trans	-69.2	141.8	179.5	-68.2	-19.5	0	0	0	109.9	D545 H546 M547 C655 K751 E752	D543-D545 PolarHBondContact O-N 2.96Å; D543-H546 PolarHBondContact O-N 3.39Å; D543-M547 PolarHBondContact O-N 3.36Å; D543-M547 VanDerWaalsContact O-N 3.16Å; D543-C655 VanDerWaalsContact OD1-CB 3.26Å; D543-C655 WeakPolarHBondContact OD1-CB 2.99Å; D543-C655 PolarHBondContact OD1-SG 2.88Å; D543-K751 WeakPolarHBondContact OD1-CA 3.23Å; D543-E752 HydrophobicContact CB-CB 4.36Å; D543-E752 PolarHBondContact N-OE2 2.95Å; D543-E752 VanDerWaalsContact N-OE2 3.09Å; D543-E752 PolarHBondContact OD1-N 2.82Å
544	R	82	Confident	82	Confident	73 Å²	73	45.2 Å²	45.2	28%	0.275	22%	0.219	S	C	.	.	H	α-helix	trans	-51.9	-38.7	-169.4	-172.6	-172.3	-59.9	91.6	5.3	113.8	H546 M547 T654 E656 V675	R544-H546 VanDerWaalsContact C-N 3.35Å; R544-M547 WeakPolarHBondContact O-CB 3.21Å; R544-M547 PolarHBondContact O-N 2.89Å; R544-T654 HydrophobicContact CB-CG2 3.93Å; R544-T654 HydrophobicContact CG-CG2 4.02Å; R544-E656 VanDerWaalsContact CB-OE1 3.22Å; R544-E656 WeakPolarHBondContact CB-OE1 3.44Å; R544-E656 IonicContact CZ-OE1 3.26Å; R544-E656 VanDerWaalsContact CZ-OE1 3.27Å; R544-E656 PolarHBondContact N-OE2 3.12Å; R544-E656 IonicContact NH1-OE1 2.66Å; R544-E656 PolarHBondContact NH1-OE1 3.19Å; R544-E656 IonicContact NH2-OE1 3.04Å; R544-V675 PolarHBondContact NH2-O 3.11Å
545	D	75.4	Confident	82.7	Confident	133 Å²	133	47.2 Å²	47.2	71%	0.711	23%	0.232	S	C	*	.	H	α-helix	trans	-75.4	-23.3	-175.4	-58.8	-31	0	0	0	112.9	D543	D543-D545 PolarHBondContact O-N 2.96Å
546	H	79.6	Confident	83.5	Confident	99 Å²	99	48 Å²	48	46%	0.458	24%	0.235	S	C	.	.	H	α-helix	trans	-83.2	-29.2	172.1	-60.2	157.4	0	0	0	112.7	I542 D543 R544 L548 N549 I550 E752	I542-H546 HydrophobicContact CG2-CB 3.91Å; D543-H546 PolarHBondContact O-N 3.39Å; R544-H546 VanDerWaalsContact C-N 3.35Å; H546-L548 PolarHBondContact O-N 3.06Å; H546-N549 PolarHBondContact O-N 3.36Å; H546-I550 PolarHBondContact O-N 2.83Å; H546-E752 IonicContact CE1-OE2 3.07Å; H546-E752 IonicContact CG-OE2 2.74Å; H546-E752 IonicContact ND1-OE2 3.37Å; H546-E752 PolarHBondContact ND1-OE2 3.21Å
547	M	79.9	Confident	83.9	Confident	15 Å²	15	50 Å²	50	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-50.3	-37.5	-168.1	-168.4	74	74.2	0	0	114.4	I542 D543 R544 N611 K634 G635 F652 L653 T654	I542-M547 HydrophobicContact CB-CE 3.69Å; I542-M547 HydrophobicContact CB-SD 3.83Å; I542-M547 HydrophobicContact CD1-SD 3.81Å; I542-M547 HydrophobicContact CG1-SD 4.42Å; I542-M547 HydrophobicContact CG2-CB 4.21Å; I542-M547 HydrophobicContact CG2-CE 4.25Å; I542-M547 HydrophobicContact CG2-SD 4.06Å; D543-M547 PolarHBondContact O-N 3.36Å; D543-M547 VanDerWaalsContact O-N 3.16Å; R544-M547 WeakPolarHBondContact O-CB 3.21Å; R544-M547 PolarHBondContact O-N 2.89Å; M547-N611 PolarHBondContact O-ND2 2.75Å; M547-K634 CarbonylContact C-O 3.58Å; M547-K634 VanDerWaalsContact C-O 3.29Å; M547-K634 WeakPolarHBondContact CG-O 3.22Å; M547-G635 WeakPolarHBondContact O-CA 3.09Å; M547-F652 HydrophobicContact CE-CB 4.16Å; M547-F652 HydrophobicContact SD-CB 4.11Å; M547-L653 WeakPolarHBondContact CE-O 3.47Å; M547-T654 HydrophobicContact CE-CG2 3.69Å
548	L	73.8	Confident	84.6	Confident	79 Å²	79	51.7 Å²	51.7	41%	0.414	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-35.1	178.1	-67.7	169.9	0	0	0	113.5	H546 N611 L613 K634	H546-L548 PolarHBondContact O-N 3.06Å; L548-N611 PolarHBondContact O-ND2 3.22Å; L548-L613 HydrophobicContact CB-CD1 4.47Å; L548-L613 HydrophobicContact CD2-CD1 3.55Å; L548-K634 WeakPolarHBondContact CD2-O 3.05Å; L548-K634 PolarHBondContact N-O 2.05Å
549	N	71.9	Confident	85.3	Confident	103 Å²	103	48.1 Å²	48.1	55%	0.551	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-10.6	-167.3	-64.5	-49.2	0	0	0	114	H546 E551 T614	H546-N549 PolarHBondContact O-N 3.36Å; N549-E551 PolarHBondContact O-N 2.9Å; N549-T614 VanDerWaalsContact O-CG2 3.31Å; N549-T614 WeakPolarHBondContact O-CG2 3.49Å
550	I	79.1	Confident	85.5	Confident	16 Å²	16	50 Å²	50	8%	0.082	25%	0.245	C	C	.	.			trans	-64.9	122.5	-177.5	-170.3	176.4	0	0	0	112.1	L539 I542 H546 Y552 N611 P636 E752	L539-I550 HydrophobicContact CD2-CD1 3.85Å; I542-I550 HydrophobicContact CD1-CD1 3.88Å; I542-I550 HydrophobicContact CD1-CG2 4.11Å; I542-I550 HydrophobicContact CG1-CD1 3.84Å; I542-I550 HydrophobicContact CG2-CD1 3.98Å; I542-I550 HydrophobicContact CG2-CG2 4.28Å; H546-I550 PolarHBondContact O-N 2.83Å; I550-Y552 PolarHBondContact O-N 3.09Å; I550-N611 VanDerWaalsContact O-CB 3.24Å; I550-N611 WeakPolarHBondContact O-CB 3.07Å; I550-N611 PolarHBondContact O-ND2 3.27Å; I550-P636 HydrophobicContact CG2-CG 3.97Å; I550-E752 WeakPolarHBondContact CD1-OE1 3.28Å
551	E	82.9	Confident	85.5	Confident	60 Å²	60	49.3 Å²	49.3	28%	0.28	24%	0.244	S	C	.	.			trans	-85.8	63.2	176.6	-51.9	-154.4	143.4	0	0	110.3	Q485 Y515 H536 N549 N553 T614	Q485-E551 VanDerWaalsContact CD-OE2 3.24Å; Q485-E551 WeakPolarHBondContact CG-OE2 3.31Å; Q485-E551 PolarHBondContact NE2-OE2 2.83Å; Y515-E551 WeakPolarHBondContact CE2-OE1 3.13Å; Y515-E551 WeakPolarHBondContact CE2-OE2 3.15Å; Y515-E551 VanDerWaalsContact CZ-CD 3.46Å; Y515-E551 VanDerWaalsContact OH-CG 3.3Å; Y515-E551 WeakPolarHBondContact OH-CG 3.46Å; Y515-E551 PolarHBondContact OH-OE1 3.26Å; Y515-E551 PolarHBondContact OH-OE2 2.94Å; H536-E551 PolarHBondContact CE1-O 2.78Å; H536-E551 VanDerWaalsContact CE1-O 3.26Å; N549-E551 PolarHBondContact O-N 2.9Å; E551-N553 PolarHBondContact O-N 3.37Å; E551-T614 HydrophobicContact CG-CG2 4.1Å
552	Y	88.9	Confident	85.5	Confident	6 Å²	6	51.4 Å²	51.4	2%	0.024	27%	0.265	C	S	.	.			trans	-58.4	120.9	-169.6	-176.9	-98.2	0	0	0	113.1	H536 L539 I550 G554 K556 C609 P636 F652	H536-Y552 HydrophobicContact CB-CD2 3.82Å; H536-Y552 HydrophobicContact CB-CE2 3.55Å; H536-Y552 AromaticContact CD2-CD2 3.84Å; H536-Y552 AromaticContact CG-CD2 3.77Å; H536-Y552 PolarHBondContact O-OH 2.8Å; H536-Y552 VanDerWaalsContact O-OH 3.1Å; L539-Y552 HydrophobicContact CB-CE2 4.11Å; L539-Y552 HydrophobicContact CD2-CD2 3.61Å; L539-Y552 HydrophobicContact CD2-CE2 3.57Å; L539-Y552 HydrophobicContact CG-CE2 4.45Å; I550-Y552 PolarHBondContact O-N 3.09Å; Y552-G554 VanDerWaalsContact CZ-CA 3.43Å; Y552-G554 VanDerWaalsContact OH-C 3.23Å; Y552-G554 VanDerWaalsContact OH-CA 3.23Å; Y552-G554 WeakPolarHBondContact OH-CA 3.3Å; Y552-K556 HydrophobicContact CE1-CB 4.11Å; Y552-K556 WeakPolarHBondContact OH-CB 3.37Å; Y552-K556 PolarHBondContact OH-N 3.48Å; Y552-C609 HydrophobicContact CD1-CB 4.5Å; Y552-P636 HydrophobicContact CG-CB 4.43Å; Y552-P636 HydrophobicContact CG-CG 4.23Å; Y552-F652 HydrophobicContact CD1-CE2 4.33Å; Y552-F652 HydrophobicContact CD2-CE2 4.21Å; Y552-F652 AromaticContact CD2-CZ 3.91Å; Y552-F652 HydrophobicContact CD2-CZ 3.91Å; Y552-F652 HydrophobicContact CE1-CE2 4.26Å; Y552-F652 HydrophobicContact CE1-CZ 4.26Å; Y552-F652 HydrophobicContact CE2-CE1 4.47Å; Y552-F652 HydrophobicContact CE2-CE2 4.15Å; Y552-F652 AromaticContact CE2-CZ 3.52Å; Y552-F652 HydrophobicContact CE2-CZ 3.52Å; Y552-F652 HydrophobicContact CG-CE2 4.3Å; Y552-F652 HydrophobicContact CG-CZ 4.44Å; Y552-F652 AromaticContact CZ-CZ 3.72Å
553	N	88.1	Confident	85.8	Confident	15 Å²	15	55 Å²	55	8%	0.08	28%	0.281	C	S	.	.			trans	-136.1	57.3	-179.9	-173.3	8.4	0	0	0	110.7	R501 I516 Y532 A533 H536 E551	R501-N553 PolarHBondContact NH1-OD1 2.63Å; I516-N553 WeakPolarHBondContact CG2-OD1 3.36Å; I516-N553 PolarHBondContact O-ND2 3.35Å; Y532-N553 WeakPolarHBondContact CA-O 3.37Å; A533-N553 HydrophobicContact CB-CB 4.22Å; A533-N553 PolarHBondContact N-O 3.13Å; H536-N553 PolarHBondContact ND1-N 3.38Å; E551-N553 PolarHBondContact O-N 3.37Å
554	G	89.1	Confident	86.3	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-121.3	-178.8	178.3	0	0	0	0	0	113.3	Y532 H536 Y552 K556 Q608	Y532-G554 VanDerWaalsContact CE1-C 3.47Å; Y532-G554 WeakPolarHBondContact CE1-O 3.31Å; H536-G554 WeakPolarHBondContact O-CA 3.37Å; Y552-G554 VanDerWaalsContact CZ-CA 3.43Å; Y552-G554 VanDerWaalsContact OH-C 3.23Å; Y552-G554 VanDerWaalsContact OH-CA 3.23Å; Y552-G554 WeakPolarHBondContact OH-CA 3.3Å; G554-K556 VanDerWaalsContact C-N 3.31Å; G554-K556 PolarHBondContact O-N 3.23Å; G554-Q608 WeakPolarHBondContact O-CB 3.23Å; G554-Q608 WeakPolarHBondContact O-CG 3.13Å
555	P	90.5	Very high	87	Confident	43 Å²	43	55 Å²	55	28%	0.279	29%	0.287	S	S	.	.	S	Bend	trans	-77.3	-8.1	-171.5	30.7	-36.1	0	0	0	114.8	Y532 H536 R537 N557	Y532-P555 HydrophobicContact CE1-CB 4.05Å; Y532-P555 HydrophobicContact CE2-CB 4.08Å; H536-P555 WeakPolarHBondContact O-CD 3.09Å; R537-P555 WeakPolarHBondContact O-CD 3.5Å; R537-P555 VanDerWaalsContact O-CG 3.24Å; R537-P555 WeakPolarHBondContact O-CG 3.34Å; P555-N557 PolarHBondContact O-N 2.87Å; P555-N557 VanDerWaalsContact O-N 3.16Å
556	K	92.7	Very high	87.9	Confident	51 Å²	51	50.6 Å²	50.6	22%	0.222	26%	0.263	C	S	.	.			trans	-64.1	117.8	-171.8	-160.5	179	-156.5	-179.4	0	111.3	F540 Y552 G554 Q608 C609 C651 F652	F540-K556 PolarHBondContact O-NZ 3.35Å; Y552-K556 HydrophobicContact CE1-CB 4.11Å; Y552-K556 WeakPolarHBondContact OH-CB 3.37Å; Y552-K556 PolarHBondContact OH-N 3.48Å; G554-K556 VanDerWaalsContact C-N 3.31Å; G554-K556 PolarHBondContact O-N 3.23Å; K556-Q608 CarbonylContact O-C 3.55Å; K556-Q608 VanDerWaalsContact O-CA 3.29Å; K556-Q608 WeakPolarHBondContact O-CA 3.46Å; K556-C609 PolarHBondContact O-N 3.33Å; K556-C609 PolarHBondContact O-SG 2.7Å; K556-C651 HydrophobicContact CD-CB 4.42Å; K556-C651 WeakPolarHBondContact CE-O 3.29Å; K556-C651 PolarHBondContact NZ-O 3.39Å; K556-F652 HydrophobicContact CB-CZ 4.37Å; K556-F652 HydrophobicContact CD-CD1 4.33Å; K556-F652 HydrophobicContact CD-CD2 4.25Å; K556-F652 HydrophobicContact CD-CE1 3.71Å; K556-F652 HydrophobicContact CD-CE2 3.61Å; K556-F652 HydrophobicContact CD-CZ 3.3Å; K556-F652 HydrophobicContact CG-CZ 4.47Å
557	N	94.6	Very high	88.6	Confident	55 Å²	55	47.9 Å²	47.9	29%	0.294	26%	0.255	S	S	.	.			trans	-131.5	29.9	-176.3	63.6	0.9	0	0	0	112.3	P555 C565 N607	P555-N557 PolarHBondContact O-N 2.87Å; P555-N557 VanDerWaalsContact O-N 3.16Å; N557-C565 VanDerWaalsContact O-CB 3.29Å; N557-C565 WeakPolarHBondContact O-CB 3.4Å; N557-C565 PolarHBondContact O-N 3.02Å; N557-C565 PolarHBondContact O-SG 3.39Å; N557-N607 WeakPolarHBondContact CB-O 3.41Å
558	K	94.4	Very high	89.2	Confident	91 Å²	91	47.1 Å²	47.1	40%	0.396	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-132.5	145.8	173.1	-67	177.6	-178.7	-75.9	0	110.5	K563 D564	K558-K563 CarbonylContact C-O 3.51Å; K558-K563 VanDerWaalsContact CA-O 3.25Å; K558-K563 WeakPolarHBondContact CA-O 3.49Å; K558-D564 IonicContact NZ-OD1 3.38Å; K558-D564 PolarHBondContact NZ-OD1 2.88Å; K558-D564 IonicContact NZ-OD2 2.72Å
559	T	92.4	Very high	90	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.043	25%	0.245	C	C	.	.			trans	-72.6	168.1	174	76.4	0	0	0	0	111.3	H561 G562 K563 V640 Q649 P650	T559-H561 PolarHBondContact O-N 3.24Å; T559-H561 PolarHBondContact OG1-N 2.78Å; T559-G562 PolarHBondContact O-N 2.62Å; T559-K563 HydrophobicContact CG2-CB 4.36Å; T559-K563 PolarHBondContact N-O 3.48Å; T559-K563 PolarHBondContact OG1-N 2.68Å; T559-V640 HydrophobicContact CG2-CG1 3.51Å; T559-Q649 HydrophobicContact CG2-CB 3.51Å; T559-Q649 HydrophobicContact CG2-CG 4.47Å; T559-Q649 PolarHBondContact OG1-OE1 3.46Å; T559-P650 WeakPolarHBondContact CA-O 3.37Å
560	I	89.6	Confident	90.9	Very high	45 Å²	45	45.8 Å²	45.8	23%	0.231	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.7	170.6	58.4	167	0	0	0	114.1	P650 L653 F679	I560-P650 HydrophobicContact CD1-CG 3.86Å; I560-P650 HydrophobicContact CG1-CG 4.18Å; I560-P650 PolarHBondContact N-O 3.05Å; I560-L653 HydrophobicContact CG2-CG 4.37Å; I560-F679 HydrophobicContact CD1-CB 3.96Å; I560-F679 HydrophobicContact CD1-CD1 3.87Å; I560-F679 HydrophobicContact CD1-CD2 3.18Å; I560-F679 HydrophobicContact CD1-CE1 4.22Å; I560-F679 HydrophobicContact CD1-CE2 3.6Å; I560-F679 HydrophobicContact CD1-CG 3.36Å; I560-F679 HydrophobicContact CD1-CZ 4.11Å
561	H	86.9	Confident	91.5	Very high	100 Å²	100	45 Å²	45	46%	0.463	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	11.8	177.5	-57.9	-44.1	0	0	0	112.8	T559 K563	T559-H561 PolarHBondContact O-N 3.24Å; T559-H561 PolarHBondContact OG1-N 2.78Å; H561-K563 PolarHBondContact O-N 2.92Å
562	G	91.3	Very high	91.8	Very high	45 Å²	45	42.7 Å²	42.7	46%	0.464	23%	0.225	S	C	.	.	S	Bend	trans	74.6	6.6	177.6	0	0	0	0	0	115.2	T559	T559-G562 PolarHBondContact O-N 2.62Å
563	K	93.3	Very high	91.8	Very high	76 Å²	76	44.8 Å²	44.8	33%	0.33	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-77.7	136.7	179.7	-71	169.8	173.1	167.5	0	110.5	K558 T559 H561 V640 E642	K558-K563 CarbonylContact C-O 3.51Å; K558-K563 VanDerWaalsContact CA-O 3.25Å; K558-K563 WeakPolarHBondContact CA-O 3.49Å; T559-K563 HydrophobicContact CG2-CB 4.36Å; T559-K563 PolarHBondContact N-O 3.48Å; T559-K563 PolarHBondContact OG1-N 2.68Å; H561-K563 PolarHBondContact O-N 2.92Å; K563-V640 HydrophobicContact CB-CG1 4.05Å; K563-E642 IonicContact NZ-OE1 3.61Å; K563-E642 PolarHBondContact NZ-OE1 3.38Å; K563-E642 IonicContact NZ-OE2 3.48Å; K563-E642 PolarHBondContact NZ-OE2 3.12Å
564	D	95.3	Very high	91.8	Very high	106 Å²	106	44.7 Å²	44.7	57%	0.567	24%	0.239	S	C	*	.	B	Isolated β-bridge	trans	-70.7	131.7	-179.5	-63.6	-61	0	0	0	111.8	K558	K558-D564 IonicContact NZ-OD1 3.38Å; K558-D564 PolarHBondContact NZ-OD1 2.88Å; K558-D564 IonicContact NZ-OD2 2.72Å
565	C	96.6	Very high	91.6	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.074	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.6	137.2	-179.5	-66.4	0	0	0	0	112.4	N557 N607 C638	N557-C565 VanDerWaalsContact O-CB 3.29Å; N557-C565 WeakPolarHBondContact O-CB 3.4Å; N557-C565 PolarHBondContact O-N 3.02Å; N557-C565 PolarHBondContact O-SG 3.39Å; C565-N607 WeakPolarHBondContact CB-O 3.39Å; C565-C638 VanDerWaalsContact CA-SG 3.56Å; C565-C638 HydrophobicContact CB-CB 3.51Å; C565-C638 WeakPolarHBondContact CB-SG 3.26Å; C565-C638 WeakPolarHBondContact SG-CB 3.43Å; C565-C638 CovalentContact SG-SG 2.02Å; C565-C638 PolarHBondContact SG-SG 2.87Å
566	L	94.6	Very high	91.1	Very high	39 Å²	39	47.4 Å²	47.4	20%	0.204	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-68.5	151.5	171.3	-65.7	170.2	0	0	0	111.2	W568 Y570 V571 F639 I646	L566-W568 PolarHBondContact O-N 3.43Å; L566-Y570 HydrophobicContact CD2-CD1 4.38Å; L566-Y570 HydrophobicContact CD2-CE1 4.46Å; L566-V571 HydrophobicContact CB-CG2 4.14Å; L566-F639 WeakPolarHBondContact CB-O 3.31Å; L566-F639 HydrophobicContact CD1-CB 4.32Å; L566-F639 WeakPolarHBondContact CG-O 3.37Å; L566-F639 PolarHBondContact N-O 2.91Å; L566-I646 HydrophobicContact CD1-CD1 3.94Å; L566-I646 HydrophobicContact CD1-CG2 3.96Å
567	S	93.9	Very high	90.7	Very high	42 Å²	42	50.4 Å²	50.4	29%	0.294	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-63.5	129.4	171.1	173.6	0	0	0	0	110.7	T569 Y570 V571 H606	S567-T569 PolarHBondContact O-N 3.21Å; S567-T569 PolarHBondContact OG-N 2.63Å; S567-Y570 WeakPolarHBondContact O-CA 3.32Å; S567-Y570 WeakPolarHBondContact O-CB 3.21Å; S567-Y570 PolarHBondContact O-N 3.03Å; S567-V571 PolarHBondContact O-N 2.72Å; S567-H606 CarbonylContact C-O 3.43Å; S567-H606 WeakPolarHBondContact CA-O 3.46Å
568	W	93	Very high	89.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-32.4	177.6	-72.6	97	0	0	0	112.5	L566 Y570 V571 M572 F588 F600 H606 Q608 L610 I612 I637 C638 F639	L566-W568 PolarHBondContact O-N 3.43Å; W568-Y570 PolarHBondContact O-N 3.35Å; W568-V571 HydrophobicContact CE3-CG1 4.37Å; W568-V571 PolarHBondContact O-N 3.22Å; W568-M572 WeakPolarHBondContact O-CB 3.28Å; W568-M572 WeakPolarHBondContact O-CG 3.36Å; W568-M572 PolarHBondContact O-N 2.95Å; W568-F588 HydrophobicContact CZ3-CE1 4.18Å; W568-F588 HydrophobicContact CZ3-CZ 4.29Å; W568-F600 HydrophobicContact CB-CD1 4.21Å; W568-F600 HydrophobicContact CB-CE1 3.39Å; W568-F600 HydrophobicContact CB-CE2 4.01Å; W568-F600 HydrophobicContact CB-CZ 3.27Å; W568-F600 HydrophobicContact CG-CE1 4.35Å; W568-F600 HydrophobicContact CG-CE2 4.43Å; W568-F600 AromaticContact CG-CZ 3.8Å; W568-F600 HydrophobicContact CG-CZ 3.8Å; W568-H606 AromaticContact CD1-ND1 3.51Å; W568-H606 PolarHBondContact N-O 3.48Å; W568-H606 AromaticContact NE1-ND1 3.88Å; W568-Q608 PolarHBondContact NE1-O 3Å; W568-L610 HydrophobicContact CD2-CD1 3.97Å; W568-L610 HydrophobicContact CG-CD1 4.18Å; W568-L610 HydrophobicContact CH2-CB 4.36Å; W568-L610 HydrophobicContact CZ2-CB 3.76Å; W568-L610 HydrophobicContact CZ2-CD1 4.18Å; W568-L610 HydrophobicContact CZ2-CG 4.14Å; W568-I612 HydrophobicContact CH2-CD1 3.94Å; W568-I612 HydrophobicContact CH2-CG1 4.26Å; W568-I612 HydrophobicContact CZ3-CD1 4.05Å; W568-I637 HydrophobicContact CH2-CG1 4.23Å; W568-I637 WeakPolarHBondContact CZ2-O 3.36Å; W568-C638 HydrophobicContact CZ2-CB 4.49Å; W568-F639 AromaticContact CH2-CD2 3.92Å; W568-F639 HydrophobicContact CH2-CD2 3.92Å; W568-F639 AromaticContact CH2-CE2 3.91Å; W568-F639 HydrophobicContact CH2-CE2 3.91Å; W568-F639 AromaticContact CZ3-CD2 3.81Å; W568-F639 HydrophobicContact CZ3-CD2 3.81Å; W568-F639 AromaticContact CZ3-CE2 3.71Å; W568-F639 HydrophobicContact CZ3-CE2 3.71Å
569	T	91.2	Very high	89	Confident	42 Å²	42	51.8 Å²	51.8	26%	0.258	29%	0.288	S	S	.	.	H	α-helix	trans	-62.3	-33.5	173.3	-66.4	0	0	0	0	111.6	S567 S573 P603 M604	S567-T569 PolarHBondContact O-N 3.21Å; S567-T569 PolarHBondContact OG-N 2.63Å; T569-S573 PolarHBondContact O-N 2.93Å; T569-S573 VanDerWaalsContact O-N 3.1Å; T569-P603 HydrophobicContact CG2-CB 4.28Å; T569-M604 PolarHBondContact OG1-N 3.22Å; T569-M604 PolarHBondContact OG1-O 2.82Å
570	Y	91.5	Very high	88	Confident	112 Å²	112	52.5 Å²	52.5	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-46.2	172.6	175.5	-116.2	0	0	0	111.7	L566 S567 W568 M572 S573 L574	L566-Y570 HydrophobicContact CD2-CD1 4.38Å; L566-Y570 HydrophobicContact CD2-CE1 4.46Å; S567-Y570 WeakPolarHBondContact O-CA 3.32Å; S567-Y570 WeakPolarHBondContact O-CB 3.21Å; S567-Y570 PolarHBondContact O-N 3.03Å; W568-Y570 PolarHBondContact O-N 3.35Å; Y570-M572 VanDerWaalsContact C-N 3.31Å; Y570-M572 PolarHBondContact O-N 2.98Å; Y570-S573 PolarHBondContact O-N 3.49Å; Y570-S573 PolarHBondContact O-OG 2.87Å; Y570-L574 HydrophobicContact CD1-CD1 4.28Å; Y570-L574 HydrophobicContact CE1-CD1 3.77Å; Y570-L574 HydrophobicContact CE1-CG 4.48Å; Y570-L574 HydrophobicContact CE2-CD1 4.32Å; Y570-L574 HydrophobicContact CE2-CD2 4.13Å; Y570-L574 HydrophobicContact CE2-CG 4.18Å; Y570-L574 PolarHBondContact O-N 2.95Å; Y570-L574 VanDerWaalsContact O-N 3.07Å
571	V	90.7	Very high	86.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-54.6	-46.1	174.9	176.2	0	0	0	0	111.5	L566 S567 W568 L574 A575 M580 F588 F639	L566-V571 HydrophobicContact CB-CG2 4.14Å; S567-V571 PolarHBondContact O-N 2.72Å; W568-V571 HydrophobicContact CE3-CG1 4.37Å; W568-V571 PolarHBondContact O-N 3.22Å; V571-L574 PolarHBondContact O-N 2.99Å; V571-A575 PolarHBondContact O-N 2.86Å; V571-M580 HydrophobicContact CB-CE 4.46Å; V571-M580 HydrophobicContact CG1-CE 3.74Å; V571-F588 HydrophobicContact CG1-CE2 4.1Å; V571-F588 HydrophobicContact CG1-CZ 3.93Å; V571-F639 HydrophobicContact CG1-CD1 4.45Å; V571-F639 HydrophobicContact CG1-CD2 3.78Å; V571-F639 HydrophobicContact CG1-CE2 4.09Å; V571-F639 HydrophobicContact CG1-CG 3.99Å; V571-F639 HydrophobicContact CG2-CB 3.74Å; V571-F639 HydrophobicContact CG2-CD2 4.26Å; V571-F639 HydrophobicContact CG2-CG 4.1Å
572	M	89	Confident	85.9	Confident	11 Å²	11	53.6 Å²	53.6	5%	0.054	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-37	176.1	-67.9	-65.6	-63.8	0	0	112.1	W568 Y570 A575 M576 F588 F600	W568-M572 WeakPolarHBondContact O-CB 3.28Å; W568-M572 WeakPolarHBondContact O-CG 3.36Å; W568-M572 PolarHBondContact O-N 2.95Å; Y570-M572 VanDerWaalsContact C-N 3.31Å; Y570-M572 PolarHBondContact O-N 2.98Å; M572-A575 WeakPolarHBondContact O-CB 3.35Å; M572-A575 PolarHBondContact O-N 3.41Å; M572-M576 HydrophobicContact CE-CE 4.18Å; M572-M576 VanDerWaalsContact O-CG 3.31Å; M572-M576 WeakPolarHBondContact O-CG 3.26Å; M572-M576 PolarHBondContact O-N 3.44Å; M572-F588 HydrophobicContact CE-CB 4.22Å; M572-F588 HydrophobicContact CE-CD1 4.48Å; M572-F588 VanDerWaalsContact CE-O 3.27Å; M572-F588 WeakPolarHBondContact CE-O 3.2Å; M572-F588 HydrophobicContact SD-CB 3.97Å; M572-F588 HydrophobicContact SD-CD1 3.38Å; M572-F588 WeakPolarHBondContact SD-CD1 3.5Å; M572-F588 HydrophobicContact SD-CE1 4.07Å; M572-F588 HydrophobicContact SD-CG 3.88Å; M572-F600 HydrophobicContact CE-CB 4.22Å; M572-F600 HydrophobicContact CG-CB 3.82Å; M572-F600 HydrophobicContact CG-CD2 4.09Å; M572-F600 HydrophobicContact CG-CG 3.91Å; M572-F600 HydrophobicContact SD-CD2 4.43Å
573	S	88.7	Confident	84.8	Confident	50 Å²	50	53.6 Å²	53.6	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-42.4	176.2	74.4	0	0	0	0	112.5	T569 Y570 A575 M576 N577	T569-S573 PolarHBondContact O-N 2.93Å; T569-S573 VanDerWaalsContact O-N 3.1Å; Y570-S573 PolarHBondContact O-N 3.49Å; Y570-S573 PolarHBondContact O-OG 2.87Å; S573-A575 VanDerWaalsContact C-N 3.33Å; S573-A575 PolarHBondContact O-N 3.45Å; S573-M576 PolarHBondContact O-N 3.03Å; S573-N577 VanDerWaalsContact O-CG 3.29Å; S573-N577 PolarHBondContact O-N 2.79Å; S573-N577 PolarHBondContact O-OD1 3.33Å
574	L	87.6	Confident	84	Confident	12 Å²	12	50.6 Å²	50.6	6%	0.063	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-40.2	173.4	-62.9	173.3	0	0	0	111.4	Y570 V571 N577 G578 E579 M580 I646	Y570-L574 HydrophobicContact CD1-CD1 4.28Å; Y570-L574 HydrophobicContact CE1-CD1 3.77Å; Y570-L574 HydrophobicContact CE1-CG 4.48Å; Y570-L574 HydrophobicContact CE2-CD1 4.32Å; Y570-L574 HydrophobicContact CE2-CD2 4.13Å; Y570-L574 HydrophobicContact CE2-CG 4.18Å; Y570-L574 PolarHBondContact O-N 2.95Å; Y570-L574 VanDerWaalsContact O-N 3.07Å; V571-L574 PolarHBondContact O-N 2.99Å; L574-N577 PolarHBondContact O-N 3.15Å; L574-G578 PolarHBondContact O-N 3.26Å; L574-E579 HydrophobicContact CB-CB 4.29Å; L574-E579 HydrophobicContact CD2-CB 4.26Å; L574-E579 WeakPolarHBondContact CD2-OE2 3.21Å; L574-E579 PolarHBondContact O-N 2.73Å; L574-M580 HydrophobicContact CB-CE 4Å; L574-M580 HydrophobicContact CB-CG 4.28Å; L574-M580 HydrophobicContact CD1-CE 4.09Å; L574-I646 HydrophobicContact CD1-CG1 3.87Å; L574-I646 HydrophobicContact CD1-CG2 4.36Å
575	A	84.8	Confident	83.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-41.6	175.7	0	0	0	0	0	112.4	V571 M572 S573 G578 M580 F588 Q589	V571-A575 PolarHBondContact O-N 2.86Å; M572-A575 WeakPolarHBondContact O-CB 3.35Å; M572-A575 PolarHBondContact O-N 3.41Å; S573-A575 VanDerWaalsContact C-N 3.33Å; S573-A575 PolarHBondContact O-N 3.45Å; A575-G578 PolarHBondContact O-N 3.09Å; A575-M580 HydrophobicContact CB-CB 4.37Å; A575-M580 HydrophobicContact CB-CG 3.88Å; A575-F588 HydrophobicContact CB-CB 3.57Å; A575-F588 HydrophobicContact CB-CD2 3.63Å; A575-F588 HydrophobicContact CB-CG 3.92Å; A575-Q589 PolarHBondContact O-NE2 3.49Å
576	M	81.7	Confident	82	Confident	99 Å²	99	54.3 Å²	54.3	49%	0.488	28%	0.276	S	S	.	.	H	α-helix	trans	-70.5	-36.5	177.7	-68.4	-63.6	174.2	0	0	112.6	M572 S573 G578 F588 Q589 P597	M572-M576 HydrophobicContact CE-CE 4.18Å; M572-M576 VanDerWaalsContact O-CG 3.31Å; M572-M576 WeakPolarHBondContact O-CG 3.26Å; M572-M576 PolarHBondContact O-N 3.44Å; S573-M576 PolarHBondContact O-N 3.03Å; M576-G578 PolarHBondContact O-N 3.48Å; M576-F588 VanDerWaalsContact CE-O 3.31Å; M576-F588 WeakPolarHBondContact CE-O 3.45Å; M576-Q589 HydrophobicContact SD-CG 4.07Å; M576-P597 HydrophobicContact CE-CB 4.44Å
577	N	83.9	Confident	81.2	Confident	114 Å²	114	52.5 Å²	52.5	61%	0.61	27%	0.266	S	S	*	.	H	α-helix	trans	-67.2	-15.1	173.5	-70.9	-0.9	0	0	0	113.6	S573 L574 E579	S573-N577 VanDerWaalsContact O-CG 3.29Å; S573-N577 PolarHBondContact O-N 2.79Å; S573-N577 PolarHBondContact O-OD1 3.33Å; L574-N577 PolarHBondContact O-N 3.15Å; N577-E579 HydrophobicContact CB-CG 3.93Å; N577-E579 WeakPolarHBondContact CB-OE1 3.4Å; N577-E579 PolarHBondContact ND2-OE1 3.16Å
578	G	75.2	Confident	80.8	Confident	49 Å²	49	50.5 Å²	50.5	51%	0.505	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	16.6	-173.4	0	0	0	0	0	114.1	L574 A575 M576 M580	L574-G578 PolarHBondContact O-N 3.26Å; A575-G578 PolarHBondContact O-N 3.09Å; M576-G578 PolarHBondContact O-N 3.48Å; G578-M580 VanDerWaalsContact C-N 3.28Å
579	E	76.9	Confident	80.3	Confident	127 Å²	127	53.6 Å²	53.6	59%	0.593	27%	0.267	S	S	*	.			trans	-82.8	-5.3	177.8	-64	173.8	-125.3	0	0	112.5	L574 N577	L574-E579 HydrophobicContact CB-CB 4.29Å; L574-E579 HydrophobicContact CD2-CB 4.26Å; L574-E579 WeakPolarHBondContact CD2-OE2 3.21Å; L574-E579 PolarHBondContact O-N 2.73Å; N577-E579 HydrophobicContact CB-CG 3.93Å; N577-E579 WeakPolarHBondContact CB-OE1 3.4Å; N577-E579 PolarHBondContact ND2-OE1 3.16Å
580	M	72.4	Confident	79.6	Confident	21 Å²	21	53 Å²	53	10%	0.103	26%	0.262	C	S	.	.	S	Bend	trans	-90.9	149.1	172.9	-75.2	-73.8	178.6	0	0	112.6	V571 L574 A575 G578 W584 I646	V571-M580 HydrophobicContact CB-CE 4.46Å; V571-M580 HydrophobicContact CG1-CE 3.74Å; L574-M580 HydrophobicContact CB-CE 4Å; L574-M580 HydrophobicContact CB-CG 4.28Å; L574-M580 HydrophobicContact CD1-CE 4.09Å; A575-M580 HydrophobicContact CB-CB 4.37Å; A575-M580 HydrophobicContact CB-CG 3.88Å; G578-M580 VanDerWaalsContact C-N 3.28Å; M580-W584 HydrophobicContact CB-CB 4.31Å; M580-I646 HydrophobicContact CE-CB 4.34Å; M580-I646 HydrophobicContact CE-CG2 3.68Å
581	N	67.3	Low	79	Confident	73 Å²	73	50.9 Å²	50.9	39%	0.39	26%	0.261	S	S	.	.			trans	-53.8	142.6	170.4	-178.1	-47.6	0	0	0	111.2	Q583 W584 K585	N581-Q583 PolarHBondContact O-N 2.85Å; N581-Q583 VanDerWaalsContact OD1-CG 3.29Å; N581-Q583 WeakPolarHBondContact OD1-CG 3.24Å; N581-Q583 PolarHBondContact OD1-N 3.25Å; N581-W584 PolarHBondContact O-N 3.05Å; N581-K585 PolarHBondContact O-N 3.18Å
582	Y	65.9	Low	78.2	Confident	96 Å²	96	60 Å²	60	38%	0.376	30%	0.295	S	S	.	.	H	α-helix	trans	-49.4	-33.1	-178.1	75.2	-89.9	0	0	0	113.9	E185 W584 K585	E185-Y582 HydrophobicContact CB-CE1 4.19Å; Y582-W584 VanDerWaalsContact C-N 3.27Å; Y582-W584 PolarHBondContact O-N 2.79Å; Y582-K585 WeakPolarHBondContact O-CB 3.34Å; Y582-K585 PolarHBondContact O-N 2.99Å
583	Q	66.8	Low	77.5	Confident	44 Å²	44	59.6 Å²	59.6	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-57.6	-38.3	177.4	-64.3	169.1	-2.1	0	0	112.7	N581 G627 I628	N581-Q583 PolarHBondContact O-N 2.85Å; N581-Q583 VanDerWaalsContact OD1-CG 3.29Å; N581-Q583 WeakPolarHBondContact OD1-CG 3.24Å; N581-Q583 PolarHBondContact OD1-N 3.25Å; Q583-G627 PolarHBondContact NE2-O 3.31Å; Q583-G627 PolarHBondContact OE1-O 3.27Å; Q583-I628 HydrophobicContact CB-CG1 4Å
584	W	77.4	Confident	77.1	Confident	13 Å²	13	57.2 Å²	57.2	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-85.8	-22.6	-179.7	-72	105.4	0	0	0	113.1	M580 N581 Y582 W586 I587 F588 I612 I628 L633 I637 F639 P648	M580-W584 HydrophobicContact CB-CB 4.31Å; N581-W584 PolarHBondContact O-N 3.05Å; Y582-W584 VanDerWaalsContact C-N 3.27Å; Y582-W584 PolarHBondContact O-N 2.79Å; W584-W586 PolarHBondContact O-N 3.38Å; W584-I587 HydrophobicContact CE3-CD1 4.08Å; W584-I587 HydrophobicContact CZ3-CD1 3.96Å; W584-I587 PolarHBondContact O-N 2.77Å; W584-F588 HydrophobicContact CB-CD2 3.82Å; W584-F588 HydrophobicContact CB-CE2 3.77Å; W584-F588 AromaticContact CD2-CE2 3.99Å; W584-F588 HydrophobicContact CD2-CE2 3.99Å; W584-F588 HydrophobicContact CD2-CZ 4.44Å; W584-F588 HydrophobicContact CE3-CD2 4.33Å; W584-F588 AromaticContact CE3-CE2 3.57Å; W584-F588 HydrophobicContact CE3-CE2 3.57Å; W584-F588 AromaticContact CE3-CZ 3.66Å; W584-F588 HydrophobicContact CE3-CZ 3.66Å; W584-F588 HydrophobicContact CG-CE2 4.09Å; W584-F588 HydrophobicContact CZ3-CZ 4.19Å; W584-F588 WeakPolarHBondContact O-CD2 3.27Å; W584-F588 PolarHBondContact O-N 3.46Å; W584-I612 HydrophobicContact CH2-CD1 4.23Å; W584-I612 HydrophobicContact CZ3-CD1 3.66Å; W584-I628 HydrophobicContact CZ2-CG2 4.21Å; W584-L633 HydrophobicContact CH2-CD1 4.41Å; W584-L633 HydrophobicContact CH2-CD2 4.2Å; W584-L633 HydrophobicContact CH2-CG 4.45Å; W584-I637 HydrophobicContact CH2-CD1 4.16Å; W584-F639 HydrophobicContact CD2-CE1 4.33Å; W584-F639 AromaticContact CD2-CZ 3.86Å; W584-F639 HydrophobicContact CD2-CZ 3.86Å; W584-F639 AromaticContact CE2-CZ 3.88Å; W584-F639 AromaticContact CE3-CZ 3.89Å; W584-F639 HydrophobicContact CE3-CZ 3.89Å; W584-F639 HydrophobicContact CH2-CZ 4.02Å; W584-F639 AromaticContact CZ2-CZ 3.99Å; W584-F639 HydrophobicContact CZ2-CZ 3.99Å; W584-F639 AromaticContact CZ3-CZ 3.96Å; W584-F639 HydrophobicContact CZ3-CZ 3.96Å; W584-P648 HydrophobicContact CZ2-CB 4.05Å; W584-P648 HydrophobicContact CZ2-CG 3.8Å
585	K	75.9	Confident	77	Confident	106 Å²	106	57.9 Å²	57.9	46%	0.461	28%	0.284	S	S	.	.	H	α-helix	trans	-56.4	-46.9	-177	-171	-177.9	178.4	-179.7	0	112.2	N581 Y582 F588 Q589	N581-K585 PolarHBondContact O-N 3.18Å; Y582-K585 WeakPolarHBondContact O-CB 3.34Å; Y582-K585 PolarHBondContact O-N 2.99Å; K585-F588 PolarHBondContact O-N 2.71Å; K585-Q589 HydrophobicContact CG-CG 4.14Å; K585-Q589 WeakPolarHBondContact O-CB 3.38Å; K585-Q589 VanDerWaalsContact O-CG 3.32Å; K585-Q589 WeakPolarHBondContact O-CG 3.5Å; K585-Q589 PolarHBondContact O-N 3.27Å
586	W	73	Confident	77.1	Confident	89 Å²	89	57.8 Å²	57.8	34%	0.337	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-46.3	-179.9	-179.4	74.1	0	0	0	111.9	W584 F588 D590 A593 F625	W584-W586 PolarHBondContact O-N 3.38Å; W586-F588 VanDerWaalsContact C-N 3.34Å; W586-F588 PolarHBondContact O-N 2.61Å; W586-D590 WeakPolarHBondContact O-CB 3.33Å; W586-D590 PolarHBondContact O-N 3.12Å; W586-A593 HydrophobicContact CD2-CB 3.49Å; W586-A593 VanDerWaalsContact CD2-CB 3.49Å; W586-A593 HydrophobicContact CE3-CB 3.69Å; W586-A593 HydrophobicContact CG-CB 4.2Å; W586-A593 HydrophobicContact CH2-CB 3.44Å; W586-A593 VanDerWaalsContact CH2-CB 3.44Å; W586-A593 HydrophobicContact CZ2-CB 3.27Å; W586-A593 HydrophobicContact CZ3-CB 3.64Å; W586-A593 WeakPolarHBondContact O-CB 3.42Å; W586-F625 HydrophobicContact CD2-CE1 4.43Å; W586-F625 HydrophobicContact CE3-CD1 4.46Å; W586-F625 AromaticContact CE3-CE1 3.86Å; W586-F625 HydrophobicContact CE3-CE1 3.86Å; W586-F625 HydrophobicContact CE3-CE2 4.36Å; W586-F625 AromaticContact CE3-CZ 3.84Å; W586-F625 HydrophobicContact CE3-CZ 3.84Å; W586-F625 AromaticContact CH2-CE1 3.84Å; W586-F625 HydrophobicContact CH2-CE1 3.84Å; W586-F625 HydrophobicContact CH2-CE2 4.04Å; W586-F625 AromaticContact CH2-CZ 3.25Å; W586-F625 HydrophobicContact CH2-CZ 3.25Å; W586-F625 HydrophobicContact CZ2-CE1 4.36Å; W586-F625 HydrophobicContact CZ2-CZ 4.15Å; W586-F625 HydrophobicContact CZ3-CD1 4.42Å; W586-F625 HydrophobicContact CZ3-CD2 4.42Å; W586-F625 AromaticContact CZ3-CE1 3.56Å; W586-F625 HydrophobicContact CZ3-CE1 3.56Å; W586-F625 AromaticContact CZ3-CE2 3.53Å; W586-F625 HydrophobicContact CZ3-CE2 3.53Å; W586-F625 AromaticContact CZ3-CZ 3.06Å; W586-F625 HydrophobicContact CZ3-CZ 3.06Å
587	I	78.9	Confident	77.3	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-41	179.8	-63.7	177.8	0	0	0	111.9	W584 S594 L596 I612 I628	W584-I587 HydrophobicContact CE3-CD1 4.08Å; W584-I587 HydrophobicContact CZ3-CD1 3.96Å; W584-I587 PolarHBondContact O-N 2.77Å; I587-S594 PolarHBondContact O-OG 2.71Å; I587-L596 HydrophobicContact CG2-CD1 3.64Å; I587-I612 HydrophobicContact CG2-CG2 3.95Å; I587-I628 HydrophobicContact CD1-CD1 3.76Å
588	F	85.9	Confident	77.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-93.2	-16.4	-175.1	-64.8	-45.1	0	0	0	115.4	W568 V571 M572 A575 M576 W584 K585 W586 L596 P597 I612 F639	W568-F588 HydrophobicContact CZ3-CE1 4.18Å; W568-F588 HydrophobicContact CZ3-CZ 4.29Å; V571-F588 HydrophobicContact CG1-CE2 4.1Å; V571-F588 HydrophobicContact CG1-CZ 3.93Å; M572-F588 HydrophobicContact CE-CB 4.22Å; M572-F588 HydrophobicContact CE-CD1 4.48Å; M572-F588 VanDerWaalsContact CE-O 3.27Å; M572-F588 WeakPolarHBondContact CE-O 3.2Å; M572-F588 HydrophobicContact SD-CB 3.97Å; M572-F588 HydrophobicContact SD-CD1 3.38Å; M572-F588 WeakPolarHBondContact SD-CD1 3.5Å; M572-F588 HydrophobicContact SD-CE1 4.07Å; M572-F588 HydrophobicContact SD-CG 3.88Å; A575-F588 HydrophobicContact CB-CB 3.57Å; A575-F588 HydrophobicContact CB-CD2 3.63Å; A575-F588 HydrophobicContact CB-CG 3.92Å; M576-F588 VanDerWaalsContact CE-O 3.31Å; M576-F588 WeakPolarHBondContact CE-O 3.45Å; W584-F588 HydrophobicContact CB-CD2 3.82Å; W584-F588 HydrophobicContact CB-CE2 3.77Å; W584-F588 AromaticContact CD2-CE2 3.99Å; W584-F588 HydrophobicContact CD2-CE2 3.99Å; W584-F588 HydrophobicContact CD2-CZ 4.44Å; W584-F588 HydrophobicContact CE3-CD2 4.33Å; W584-F588 AromaticContact CE3-CE2 3.57Å; W584-F588 HydrophobicContact CE3-CE2 3.57Å; W584-F588 AromaticContact CE3-CZ 3.66Å; W584-F588 HydrophobicContact CE3-CZ 3.66Å; W584-F588 HydrophobicContact CG-CE2 4.09Å; W584-F588 HydrophobicContact CZ3-CZ 4.19Å; W584-F588 WeakPolarHBondContact O-CD2 3.27Å; W584-F588 PolarHBondContact O-N 3.46Å; K585-F588 PolarHBondContact O-N 2.71Å; W586-F588 VanDerWaalsContact C-N 3.34Å; W586-F588 PolarHBondContact O-N 2.61Å; F588-L596 HydrophobicContact CD1-CB 4.43Å; F588-L596 HydrophobicContact CD1-CD1 4Å; F588-L596 HydrophobicContact CE1-CD1 3.94Å; F588-P597 WeakPolarHBondContact O-CG 3.48Å; F588-I612 HydrophobicContact CE1-CD1 4.37Å; F588-I612 HydrophobicContact CZ-CD1 4.47Å; F588-F639 HydrophobicContact CE2-CE2 4.4Å; F588-F639 HydrophobicContact CE2-CZ 4.02Å; F588-F639 AromaticContact CZ-CE2 3.72Å; F588-F639 HydrophobicContact CZ-CE2 3.72Å; F588-F639 AromaticContact CZ-CZ 3.75Å; F588-F639 HydrophobicContact CZ-CZ 3.75Å
589	Q	80.6	Confident	77.8	Confident	65 Å²	65	51.4 Å²	51.4	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-108.8	-35.4	-179.1	-60.5	-171.5	-10.5	0	0	114.2	A575 M576 K585 T591	A575-Q589 PolarHBondContact O-NE2 3.49Å; M576-Q589 HydrophobicContact SD-CG 4.07Å; K585-Q589 HydrophobicContact CG-CG 4.14Å; K585-Q589 WeakPolarHBondContact O-CB 3.38Å; K585-Q589 VanDerWaalsContact O-CG 3.32Å; K585-Q589 WeakPolarHBondContact O-CG 3.5Å; K585-Q589 PolarHBondContact O-N 3.27Å; Q589-T591 PolarHBondContact O-N 3.45Å
590	D	78	Confident	78.3	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.15	21%	0.213	C	C	.	.			trans	-89.2	113.4	-173.2	-168.3	-20.2	0	0	0	111.4	W586 R592 A593 S594	W586-D590 WeakPolarHBondContact O-CB 3.33Å; W586-D590 PolarHBondContact O-N 3.12Å; D590-R592 PolarHBondContact O-N 2.98Å; D590-R592 VanDerWaalsContact O-N 3.15Å; D590-R592 WeakPolarHBondContact OD1-CB 3.3Å; D590-R592 WeakPolarHBondContact OD1-CG 3.42Å; D590-R592 IonicContact OD1-CZ 3.79Å; D590-R592 PolarHBondContact OD1-N 3.15Å; D590-R592 IonicContact OD1-NE 3.92Å; D590-R592 PolarHBondContact OD1-NE 3.44Å; D590-R592 IonicContact OD1-NH2 2.62Å; D590-R592 IonicContact OD2-CZ 2.6Å; D590-R592 IonicContact OD2-NE 3.29Å; D590-R592 PolarHBondContact OD2-NE 3.3Å; D590-R592 IonicContact OD2-NH2 2.65Å; D590-R592 PolarHBondContact OD2-NH2 3.13Å; D590-A593 HydrophobicContact CB-CB 3.91Å; D590-A593 VanDerWaalsContact O-CB 3.24Å; D590-A593 WeakPolarHBondContact O-CB 3.14Å; D590-A593 PolarHBondContact O-N 2.02Å; D590-S594 PolarHBondContact O-N 2.79Å
591	T	78.6	Confident	78.9	Confident	68 Å²	68	49.5 Å²	49.5	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.5	178.5	53.8	0	0	0	0	113.8	Q589 P597 Q598 K617	Q589-T591 PolarHBondContact O-N 3.45Å; T591-P597 HydrophobicContact CG2-CB 3.96Å; T591-P597 HydrophobicContact CG2-CG 4.17Å; T591-Q598 HydrophobicContact CG2-CG 3.92Å; T591-K617 PolarHBondContact O-NZ 2.74Å
592	R	73.6	Confident	79.8	Confident	193 Å²	193	49.1 Å²	49.1	73%	0.728	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-26.5	170.4	-52.4	168	-63.9	177.3	6.3	111.7	D590	D590-R592 PolarHBondContact O-N 2.98Å; D590-R592 VanDerWaalsContact O-N 3.15Å; D590-R592 WeakPolarHBondContact OD1-CB 3.3Å; D590-R592 WeakPolarHBondContact OD1-CG 3.42Å; D590-R592 IonicContact OD1-CZ 3.79Å; D590-R592 PolarHBondContact OD1-N 3.15Å; D590-R592 IonicContact OD1-NE 3.92Å; D590-R592 PolarHBondContact OD1-NE 3.44Å; D590-R592 IonicContact OD1-NH2 2.62Å; D590-R592 IonicContact OD2-CZ 2.6Å; D590-R592 IonicContact OD2-NE 3.29Å; D590-R592 PolarHBondContact OD2-NE 3.3Å; D590-R592 IonicContact OD2-NH2 2.65Å; D590-R592 PolarHBondContact OD2-NH2 3.13Å
593	A	73.9	Confident	80.7	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-50.5	177.9	0	0	0	0	0	112.1	W586 D590 K617	W586-A593 HydrophobicContact CD2-CB 3.49Å; W586-A593 VanDerWaalsContact CD2-CB 3.49Å; W586-A593 HydrophobicContact CE3-CB 3.69Å; W586-A593 HydrophobicContact CG-CB 4.2Å; W586-A593 HydrophobicContact CH2-CB 3.44Å; W586-A593 VanDerWaalsContact CH2-CB 3.44Å; W586-A593 HydrophobicContact CZ2-CB 3.27Å; W586-A593 HydrophobicContact CZ3-CB 3.64Å; W586-A593 WeakPolarHBondContact O-CB 3.42Å; D590-A593 HydrophobicContact CB-CB 3.91Å; D590-A593 VanDerWaalsContact O-CB 3.24Å; D590-A593 WeakPolarHBondContact O-CB 3.14Å; D590-A593 PolarHBondContact O-N 2.02Å; A593-K617 PolarHBondContact O-N 3.47Å
594	S	81.5	Confident	81.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-147.2	170.4	-172.2	85.7	0	0	0	0	112.4	I587 D590 L596 P597 L615 K617	I587-S594 PolarHBondContact O-OG 2.71Å; D590-S594 PolarHBondContact O-N 2.79Å; S594-L596 WeakPolarHBondContact OG-CB 3.02Å; S594-L596 PolarHBondContact OG-N 2.93Å; S594-P597 WeakPolarHBondContact OG-CD 3.46Å; S594-L615 CarbonylContact C-O 3.58Å; S594-L615 WeakPolarHBondContact CA-O 3.5Å; S594-L615 VanDerWaalsContact CB-O 3.27Å; S594-L615 WeakPolarHBondContact CB-O 3.13Å; S594-K617 WeakPolarHBondContact O-CE 3.39Å
595	A	83.8	Confident	82.3	Confident	25 Å²	25	49 Å²	49	21%	0.207	24%	0.241	C	C	.	.	S	Bend	trans	-81.4	-11	168.6	0	0	0	0	0	113.3	Q598 L599 L615	A595-Q598 WeakPolarHBondContact O-CB 3.45Å; A595-Q598 PolarHBondContact O-N 2.86Å; A595-L599 WeakPolarHBondContact O-CB 3.48Å; A595-L599 PolarHBondContact O-N 2.98Å; A595-L615 HydrophobicContact CB-CD2 4.12Å; A595-L615 PolarHBondContact N-O 3.23Å
596	L	87.5	Confident	82.9	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.4	-45.3	-174.6	-73.3	157.1	0	0	0	114.6	I587 F588 S594 Q598 L599 F600 I612 L615	I587-L596 HydrophobicContact CG2-CD1 3.64Å; F588-L596 HydrophobicContact CD1-CB 4.43Å; F588-L596 HydrophobicContact CD1-CD1 4Å; F588-L596 HydrophobicContact CE1-CD1 3.94Å; S594-L596 WeakPolarHBondContact OG-CB 3.02Å; S594-L596 PolarHBondContact OG-N 2.93Å; L596-Q598 PolarHBondContact O-N 3.02Å; L596-L599 PolarHBondContact O-N 2.02Å; L596-F600 HydrophobicContact CD2-CD2 4.12Å; L596-F600 HydrophobicContact CD2-CE2 3.87Å; L596-F600 PolarHBondContact O-N 2.95Å; L596-I612 HydrophobicContact CD1-CD1 4.31Å; L596-I612 HydrophobicContact CD1-CG1 4.27Å; L596-I612 HydrophobicContact CD1-CG2 4.08Å; L596-L615 HydrophobicContact CD2-CD1 3.62Å; L596-L615 HydrophobicContact CG-CB 4.32Å; L596-L615 HydrophobicContact CG-CD1 3.92Å
597	P	85.6	Confident	83.8	Confident	16 Å²	16	42.7 Å²	42.7	10%	0.104	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-23.9	177.9	-3.5	13	0	0	0	112.7	M576 F588 T591 S594 S601	M576-P597 HydrophobicContact CE-CB 4.44Å; F588-P597 WeakPolarHBondContact O-CG 3.48Å; T591-P597 HydrophobicContact CG2-CB 3.96Å; T591-P597 HydrophobicContact CG2-CG 4.17Å; S594-P597 WeakPolarHBondContact OG-CD 3.46Å; P597-S601 WeakPolarHBondContact O-CB 3.17Å; P597-S601 PolarHBondContact O-N 3.08Å
598	Q	84.2	Confident	84.5	Confident	102 Å²	102	43 Å²	43	48%	0.477	22%	0.22	S	C	.	.	H	α-helix	trans	-81.7	-42.9	175.9	-59.6	-176.2	-63	0	0	110.8	T591 A595 L596 F600 S601	T591-Q598 HydrophobicContact CG2-CG 3.92Å; A595-Q598 WeakPolarHBondContact O-CB 3.45Å; A595-Q598 PolarHBondContact O-N 2.86Å; L596-Q598 PolarHBondContact O-N 3.02Å; Q598-F600 PolarHBondContact O-N 3.17Å; Q598-S601 VanDerWaalsContact O-CB 3.29Å; Q598-S601 WeakPolarHBondContact O-CB 3.43Å; Q598-S601 PolarHBondContact O-N 3.2Å; Q598-S601 PolarHBondContact O-OG 3.06Å
599	L	85.9	Confident	84.9	Confident	10 Å²	10	43 Å²	43	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-38.3	178.2	-179.8	61.2	0	0	0	113.2	S514 I516 R527 A595 L596 M604 L615	S514-L599 WeakPolarHBondContact OG-CD1 3.03Å; I516-L599 HydrophobicContact CD1-CD1 4.15Å; I516-L599 HydrophobicContact CD1-CD2 3.93Å; I516-L599 HydrophobicContact CG1-CD1 4.27Å; R527-L599 PolarHBondContact NH2-O 2.98Å; A595-L599 WeakPolarHBondContact O-CB 3.48Å; A595-L599 PolarHBondContact O-N 2.98Å; L596-L599 PolarHBondContact O-N 2.02Å; L599-M604 HydrophobicContact CD1-CE 4.09Å; L599-M604 HydrophobicContact CG-CE 4.05Å; L599-L615 HydrophobicContact CD2-CD1 4.34Å; L599-L615 HydrophobicContact CD2-CD2 4.32Å
600	F	88.3	Confident	85.5	Confident	19 Å²	19	40.3 Å²	40.3	8%	0.083	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	18	178.5	-68.8	-78.2	0	0	0	113.7	W568 M572 L596 Q598 K602 M604 H606 L610	W568-F600 HydrophobicContact CB-CD1 4.21Å; W568-F600 HydrophobicContact CB-CE1 3.39Å; W568-F600 HydrophobicContact CB-CE2 4.01Å; W568-F600 HydrophobicContact CB-CZ 3.27Å; W568-F600 HydrophobicContact CG-CE1 4.35Å; W568-F600 HydrophobicContact CG-CE2 4.43Å; W568-F600 AromaticContact CG-CZ 3.8Å; W568-F600 HydrophobicContact CG-CZ 3.8Å; M572-F600 HydrophobicContact CE-CB 4.22Å; M572-F600 HydrophobicContact CG-CB 3.82Å; M572-F600 HydrophobicContact CG-CD2 4.09Å; M572-F600 HydrophobicContact CG-CG 3.91Å; M572-F600 HydrophobicContact SD-CD2 4.43Å; L596-F600 HydrophobicContact CD2-CD2 4.12Å; L596-F600 HydrophobicContact CD2-CE2 3.87Å; L596-F600 PolarHBondContact O-N 2.95Å; Q598-F600 PolarHBondContact O-N 3.17Å; F600-K602 PolarHBondContact O-N 3.45Å; F600-M604 HydrophobicContact CD1-CB 4.22Å; F600-M604 HydrophobicContact CD1-CE 3.9Å; F600-M604 HydrophobicContact CE1-CB 4.22Å; F600-M604 HydrophobicContact CE1-CE 3.3Å; F600-M604 HydrophobicContact CE2-CE 4.33Å; F600-M604 HydrophobicContact CZ-CE 3.55Å; F600-H606 HydrophobicContact CE1-CB 4.05Å; F600-H606 HydrophobicContact CZ-CB 4.26Å; F600-L610 HydrophobicContact CE2-CD1 4.04Å; F600-L610 HydrophobicContact CZ-CD1 4.01Å
601	S	85	Confident	86	Confident	89 Å²	89	39.1 Å²	39.1	62%	0.622	20%	0.201	S	C	*	.	S	Bend	trans	-62.4	-29.7	176	58.6	0	0	0	0	113.5	P597 Q598	P597-S601 WeakPolarHBondContact O-CB 3.17Å; P597-S601 PolarHBondContact O-N 3.08Å; Q598-S601 VanDerWaalsContact O-CB 3.29Å; Q598-S601 WeakPolarHBondContact O-CB 3.43Å; Q598-S601 PolarHBondContact O-N 3.2Å; Q598-S601 PolarHBondContact O-OG 3.06Å
602	K	85.1	Confident	86.4	Confident	65 Å²	65	35.9 Å²	35.9	28%	0.283	18%	0.182	S	C	.	.	S	Bend	trans	-107.4	142.6	165.8	-60	179	-175.8	179.6	0	109.1	D510 Y521 F600 M604	D510-K602 IonicContact OD1-NZ 3.66Å; D510-K602 PolarHBondContact OD1-NZ 3.25Å; D510-K602 IonicContact OD2-NZ 2.67Å; D510-K602 PolarHBondContact OD2-NZ 3.39Å; Y521-K602 WeakPolarHBondContact OH-CD 2.95Å; Y521-K602 WeakPolarHBondContact OH-CE 3.41Å; Y521-K602 PolarHBondContact OH-NZ 2.98Å; F600-K602 PolarHBondContact O-N 3.45Å; K602-M604 PolarHBondContact O-N 3.4Å
603	P	85.5	Confident	86.7	Confident	59 Å²	59	27.4 Å²	27.4	38%	0.383	15%	0.151	S	C	.	.			trans	-52.3	127.4	174.4	-26.2	34.4	0	0	0	112.3	T526 R527 T569	T526-P603 WeakPolarHBondContact CA-O 3.4Å; R527-P603 PolarHBondContact N-O 3.03Å; T569-P603 HydrophobicContact CG2-CB 4.28Å
604	M	88.7	Confident	87	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-130.6	131.8	-178.1	-174.1	167.5	61.3	0	0	111.2	I516 M519 R527 P529 T569 L599 F600 K602 H606	I516-M604 HydrophobicContact CD1-CE 4.4Å; M519-M604 HydrophobicContact SD-SD 3.88Å; R527-M604 HydrophobicContact CG-CB 4Å; R527-M604 HydrophobicContact CG-CG 3.96Å; R527-M604 HydrophobicContact CG-SD 4.43Å; R527-M604 CarbonylContact O-C 3.53Å; R527-M604 VanDerWaalsContact O-CA 3.28Å; R527-M604 WeakPolarHBondContact O-CA 3.14Å; P529-M604 HydrophobicContact CG-SD 4.27Å; T569-M604 PolarHBondContact OG1-N 3.22Å; T569-M604 PolarHBondContact OG1-O 2.82Å; L599-M604 HydrophobicContact CD1-CE 4.09Å; L599-M604 HydrophobicContact CG-CE 4.05Å; F600-M604 HydrophobicContact CD1-CB 4.22Å; F600-M604 HydrophobicContact CD1-CE 3.9Å; F600-M604 HydrophobicContact CE1-CB 4.22Å; F600-M604 HydrophobicContact CE1-CE 3.3Å; F600-M604 HydrophobicContact CE2-CE 4.33Å; F600-M604 HydrophobicContact CZ-CE 3.55Å; K602-M604 PolarHBondContact O-N 3.4Å; M604-H606 HydrophobicContact CE-CB 4.19Å; M604-H606 HydrophobicContact CG-CB 4.36Å; M604-H606 PolarHBondContact O-N 3.03Å
605	E	87.9	Confident	87	Confident	88 Å²	88	28.7 Å²	28.7	41%	0.411	16%	0.158	S	C	.	.			trans	-79.4	88.2	173.7	-159.2	168.6	141.3	0	0	109.6	R504 I522 T526 R527	R504-E605 IonicContact CZ-OE1 3.61Å; R504-E605 IonicContact CZ-OE2 2.94Å; R504-E605 IonicContact NH1-OE1 2.63Å; R504-E605 PolarHBondContact NH1-OE1 3.3Å; R504-E605 IonicContact NH1-OE2 3.27Å; R504-E605 PolarHBondContact NH1-OE2 3.35Å; R504-E605 IonicContact NH2-OE2 2.7Å; I522-E605 HydrophobicContact CD1-CB 4.19Å; I522-E605 VanDerWaalsContact CD1-OE2 3.22Å; I522-E605 WeakPolarHBondContact CD1-OE2 3.42Å; T526-E605 HydrophobicContact CG2-CB 4.33Å; R527-E605 PolarHBondContact O-N 3.21Å
606	H	89.4	Confident	86.7	Confident	3 Å²	3	27.9 Å²	27.9	1%	0.014	15%	0.15	C	C	.	.			trans	-132.1	114.7	178.1	-151.5	-71.6	0	0	0	108.8	R501 S567 W568 F600 M604 Q608	R501-H606 PolarHBondContact NH2-CD2 3.14Å; R501-H606 PolarHBondContact NH2-NE2 2.72Å; S567-H606 CarbonylContact C-O 3.43Å; S567-H606 WeakPolarHBondContact CA-O 3.46Å; W568-H606 AromaticContact CD1-ND1 3.51Å; W568-H606 PolarHBondContact N-O 3.48Å; W568-H606 AromaticContact NE1-ND1 3.88Å; F600-H606 HydrophobicContact CE1-CB 4.05Å; F600-H606 HydrophobicContact CZ-CB 4.26Å; M604-H606 HydrophobicContact CE-CB 4.19Å; M604-H606 HydrophobicContact CG-CB 4.36Å; M604-H606 PolarHBondContact O-N 3.03Å; H606-Q608 PolarHBondContact CE1-O 3.07Å; H606-Q608 PolarHBondContact ND1-O 3.01Å; H606-Q608 VanDerWaalsContact ND1-O 3.17Å
607	N	92.4	Very high	86	Confident	60 Å²	60	33 Å²	33	32%	0.321	17%	0.173	S	C	.	.			trans	-122.6	-2.9	168.5	69.6	-11.7	0	0	0	112.3	N557 C565	N557-N607 WeakPolarHBondContact CB-O 3.41Å; C565-N607 WeakPolarHBondContact CB-O 3.39Å
608	Q	93.3	Very high	85.1	Confident	9 Å²	9	35.5 Å²	35.5	4%	0.042	19%	0.185	C	C	.	.	S	Bend	trans	-67.4	151.6	172.4	-57.1	81.8	-5.6	0	0	110.2	R501 Y532 G554 K556 W568 H606	R501-Q608 VanDerWaalsContact NH2-CD 3.29Å; Y532-Q608 HydrophobicContact CE1-CG 4.14Å; Y532-Q608 PolarHBondContact OH-NE2 3.49Å; G554-Q608 WeakPolarHBondContact O-CB 3.23Å; G554-Q608 WeakPolarHBondContact O-CG 3.13Å; K556-Q608 CarbonylContact O-C 3.55Å; K556-Q608 VanDerWaalsContact O-CA 3.29Å; K556-Q608 WeakPolarHBondContact O-CA 3.46Å; W568-Q608 PolarHBondContact NE1-O 3Å; H606-Q608 PolarHBondContact CE1-O 3.07Å; H606-Q608 PolarHBondContact ND1-O 3.01Å; H606-Q608 VanDerWaalsContact ND1-O 3.17Å
609	C	94.7	Very high	83.8	Confident	1 Å²	1	34 Å²	34	1%	0.007	18%	0.178	C	C	.	.			trans	-64.2	150.8	-178.6	-53.9	0	0	0	0	111.8	Y552 K556 P636 I637 C651	Y552-C609 HydrophobicContact CD1-CB 4.5Å; K556-C609 PolarHBondContact O-N 3.33Å; K556-C609 PolarHBondContact O-SG 2.7Å; C609-P636 HydrophobicContact CB-CB 4.29Å; C609-I637 CarbonylContact C-O 3.56Å; C609-I637 VanDerWaalsContact CA-O 3.23Å; C609-I637 WeakPolarHBondContact CA-O 3.31Å; C609-I637 WeakPolarHBondContact CB-O 3.37Å; C609-C651 HydrophobicContact CB-CB 3.66Å; C609-C651 WeakPolarHBondContact CB-SG 3.41Å; C609-C651 WeakPolarHBondContact SG-CB 3.48Å; C609-C651 CovalentContact SG-SG 2.02Å; C609-C651 PolarHBondContact SG-SG 2.97Å
610	L	92.4	Very high	82.2	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.037	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-132.3	140.5	177.3	-69.9	176	0	0	0	109.8	I516 W568 F600 I612 I637	I516-L610 HydrophobicContact CD1-CD2 3.85Å; W568-L610 HydrophobicContact CD2-CD1 3.97Å; W568-L610 HydrophobicContact CG-CD1 4.18Å; W568-L610 HydrophobicContact CH2-CB 4.36Å; W568-L610 HydrophobicContact CZ2-CB 3.76Å; W568-L610 HydrophobicContact CZ2-CD1 4.18Å; W568-L610 HydrophobicContact CZ2-CG 4.14Å; F600-L610 HydrophobicContact CE2-CD1 4.04Å; F600-L610 HydrophobicContact CZ-CD1 4.01Å; L610-I612 PolarHBondContact O-N 3.26Å; L610-I637 PolarHBondContact N-O 2.99Å; L610-I637 PolarHBondContact O-N 3.44Å
611	N	89.4	Confident	80.5	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.193	C	C	.	.			trans	-80.6	110.5	165.5	-169.8	-7.5	0	0	0	108.6	M547 L548 I550 L613 T614 P636	M547-N611 PolarHBondContact O-ND2 2.75Å; L548-N611 PolarHBondContact O-ND2 3.22Å; I550-N611 VanDerWaalsContact O-CB 3.24Å; I550-N611 WeakPolarHBondContact O-CB 3.07Å; I550-N611 PolarHBondContact O-ND2 3.27Å; N611-L613 VanDerWaalsContact C-N 3.3Å; N611-L613 WeakPolarHBondContact OD1-CB 3.22Å; N611-L613 PolarHBondContact OD1-N 3.27Å; N611-L613 VanDerWaalsContact OD1-N 3.08Å; N611-T614 HydrophobicContact CB-CG2 4.34Å; N611-T614 PolarHBondContact O-OG1 2.96Å; N611-P636 HydrophobicContact CB-CG 4.24Å
612	I	86.2	Confident	79	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-72.6	-27	179	-68.1	-173	0	0	0	111.1	W568 W584 I587 F588 L596 L610 T614 L615 I616 L633 I637	W568-I612 HydrophobicContact CH2-CD1 3.94Å; W568-I612 HydrophobicContact CH2-CG1 4.26Å; W568-I612 HydrophobicContact CZ3-CD1 4.05Å; W584-I612 HydrophobicContact CH2-CD1 4.23Å; W584-I612 HydrophobicContact CZ3-CD1 3.66Å; I587-I612 HydrophobicContact CG2-CG2 3.95Å; F588-I612 HydrophobicContact CE1-CD1 4.37Å; F588-I612 HydrophobicContact CZ-CD1 4.47Å; L596-I612 HydrophobicContact CD1-CD1 4.31Å; L596-I612 HydrophobicContact CD1-CG1 4.27Å; L596-I612 HydrophobicContact CD1-CG2 4.08Å; L610-I612 PolarHBondContact O-N 3.26Å; I612-T614 VanDerWaalsContact C-N 3.31Å; I612-T614 PolarHBondContact O-N 2.85Å; I612-L615 PolarHBondContact O-N 3.07Å; I612-L615 VanDerWaalsContact O-N 3.08Å; I612-I616 HydrophobicContact CG2-CD1 4.19Å; I612-I616 HydrophobicContact CG2-CG1 4.29Å; I612-I616 WeakPolarHBondContact O-CG1 3.39Å; I612-I616 PolarHBondContact O-N 2.99Å; I612-L633 HydrophobicContact CB-CD2 4.01Å; I612-L633 HydrophobicContact CG2-CD2 4.46Å; I612-I637 HydrophobicContact CD1-CD1 3.81Å; I612-I637 HydrophobicContact CD1-CG1 4.25Å; I612-I637 HydrophobicContact CG1-CD1 4.4Å; I612-I637 HydrophobicContact CG1-CG1 4.36Å
613	L	79.6	Confident	77.2	Confident	15 Å²	15	37.8 Å²	37.8	8%	0.079	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.1	-34.1	-177.9	-64.7	-172.2	0	0	0	113.1	L548 N611 L615 I616 Q619 Y622 L633	L548-L613 HydrophobicContact CB-CD1 4.47Å; L548-L613 HydrophobicContact CD2-CD1 3.55Å; N611-L613 VanDerWaalsContact C-N 3.3Å; N611-L613 WeakPolarHBondContact OD1-CB 3.22Å; N611-L613 PolarHBondContact OD1-N 3.27Å; N611-L613 VanDerWaalsContact OD1-N 3.08Å; L613-L615 VanDerWaalsContact C-N 3.26Å; L613-L615 PolarHBondContact O-N 3.07Å; L613-I616 HydrophobicContact CD2-CD1 4.24Å; L613-I616 PolarHBondContact O-N 3.07Å; L613-Q619 PolarHBondContact O-NE2 3.04Å; L613-Y622 HydrophobicContact CD2-CD2 3.82Å; L613-Y622 HydrophobicContact CD2-CE2 3.79Å; L613-Y622 HydrophobicContact CD2-CG 4.25Å; L613-L633 WeakPolarHBondContact CD1-O 2.97Å; L613-L633 HydrophobicContact CD2-CB 4.4Å; L613-L633 HydrophobicContact CD2-CD1 4.47Å; L613-L633 WeakPolarHBondContact CG-O 3.49Å
614	T	79.7	Confident	75.4	Confident	23 Å²	23	41.5 Å²	41.5	14%	0.141	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-76.3	-17.4	177.7	66.2	0	0	0	0	112.4	Y515 N549 E551 N611 I612	Y515-T614 WeakPolarHBondContact OH-CB 3.43Å; Y515-T614 PolarHBondContact OH-OG1 2.91Å; N549-T614 VanDerWaalsContact O-CG2 3.31Å; N549-T614 WeakPolarHBondContact O-CG2 3.49Å; E551-T614 HydrophobicContact CG-CG2 4.1Å; N611-T614 HydrophobicContact CB-CG2 4.34Å; N611-T614 PolarHBondContact O-OG1 2.96Å; I612-T614 VanDerWaalsContact C-N 3.31Å; I612-T614 PolarHBondContact O-N 2.85Å
615	L	81.7	Confident	73.8	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-91.2	-11.2	176.5	-65.2	170.8	0	0	0	113.4	Y515 S594 A595 L596 L599 I612 L613	Y515-L615 HydrophobicContact CD1-CD2 3.47Å; Y515-L615 VanDerWaalsContact CD1-CD2 3.47Å; Y515-L615 HydrophobicContact CE1-CD2 3.37Å; Y515-L615 HydrophobicContact CE1-CG 4.13Å; Y515-L615 HydrophobicContact CG-CD2 4.11Å; S594-L615 CarbonylContact C-O 3.58Å; S594-L615 WeakPolarHBondContact CA-O 3.5Å; S594-L615 VanDerWaalsContact CB-O 3.27Å; S594-L615 WeakPolarHBondContact CB-O 3.13Å; A595-L615 HydrophobicContact CB-CD2 4.12Å; A595-L615 PolarHBondContact N-O 3.23Å; L596-L615 HydrophobicContact CD2-CD1 3.62Å; L596-L615 HydrophobicContact CG-CB 4.32Å; L596-L615 HydrophobicContact CG-CD1 3.92Å; L599-L615 HydrophobicContact CD2-CD1 4.34Å; L599-L615 HydrophobicContact CD2-CD2 4.32Å; I612-L615 PolarHBondContact O-N 3.07Å; I612-L615 VanDerWaalsContact O-N 3.08Å; L613-L615 VanDerWaalsContact C-N 3.26Å; L613-L615 PolarHBondContact O-N 3.07Å
616	I	78.4	Confident	71.7	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.046	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-79	128.1	175.9	-69.6	169.7	0	0	0	109.7	I612 L613 D618	I612-I616 HydrophobicContact CG2-CD1 4.19Å; I612-I616 HydrophobicContact CG2-CG1 4.29Å; I612-I616 WeakPolarHBondContact O-CG1 3.39Å; I612-I616 PolarHBondContact O-N 2.99Å; L613-I616 HydrophobicContact CD2-CD1 4.24Å; L613-I616 PolarHBondContact O-N 3.07Å; I616-D618 WeakPolarHBondContact CG2-O 3.46Å
617	K	73.3	Confident	69.7	Low	108 Å²	108	45.1 Å²	45.1	47%	0.47	23%	0.232	S	C	.	.	S	Bend	trans	-78.7	-23.7	-174.9	-68.8	177.5	176.9	176.5	0	113.8	T591 A593 S594	T591-K617 PolarHBondContact O-NZ 2.74Å; A593-K617 PolarHBondContact O-N 3.47Å; S594-K617 WeakPolarHBondContact O-CE 3.39Å
618	D	65.9	Low	67.9	Low	68 Å²	68	43 Å²	43	36%	0.364	22%	0.221	S	C	.	.			trans	-123.7	84.6	171.7	179.1	1.5	0	0	0	109.8	I616 A620 S621	I616-D618 WeakPolarHBondContact CG2-O 3.46Å; D618-A620 PolarHBondContact O-N 3.17Å; D618-A620 WeakPolarHBondContact OD1-CB 3.4Å; D618-A620 PolarHBondContact OD1-N 2.71Å; D618-A620 VanDerWaalsContact OD1-N 3.08Å; D618-S621 VanDerWaalsContact CG-CB 3.49Å; D618-S621 VanDerWaalsContact CG-OG 3.26Å; D618-S621 PolarHBondContact O-N 3.05Å; D618-S621 PolarHBondContact OD1-N 3.28Å; D618-S621 WeakPolarHBondContact OD2-CB 3.29Å; D618-S621 PolarHBondContact OD2-OG 3.43Å
619	Q	57.8	Low	66.1	Low	71 Å²	71	43.7 Å²	43.7	33%	0.332	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26.1	175.8	-67.4	-178.2	-36	0	0	112.4	L613 S621 Y622	L613-Q619 PolarHBondContact O-NE2 3.04Å; Q619-S621 VanDerWaalsContact C-N 3.28Å; Q619-S621 PolarHBondContact O-N 3.42Å; Q619-Y622 WeakPolarHBondContact O-CB 3.25Å; Q619-Y622 PolarHBondContact O-N 3.44Å
620	A	51.9	Low	64.3	Low	40 Å²	40	44.1 Å²	44.1	33%	0.331	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-70.9	-26.2	177.1	0	0	0	0	0	112	D618 Y622	D618-A620 PolarHBondContact O-N 3.17Å; D618-A620 WeakPolarHBondContact OD1-CB 3.4Å; D618-A620 PolarHBondContact OD1-N 2.71Å; D618-A620 VanDerWaalsContact OD1-N 3.08Å; A620-Y622 VanDerWaalsContact C-N 3.27Å; A620-Y622 PolarHBondContact O-N 3.28Å
621	S	51.8	Low	62.7	Low	15 Å²	15	44.1 Å²	44.1	11%	0.105	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-75.1	-6.8	168.3	-73.5	0	0	0	0	114.8	D618 Q619 Y623 K624 F625	D618-S621 VanDerWaalsContact CG-CB 3.49Å; D618-S621 VanDerWaalsContact CG-OG 3.26Å; D618-S621 PolarHBondContact O-N 3.05Å; D618-S621 PolarHBondContact OD1-N 3.28Å; D618-S621 WeakPolarHBondContact OD2-CB 3.29Å; D618-S621 PolarHBondContact OD2-OG 3.43Å; Q619-S621 VanDerWaalsContact C-N 3.28Å; Q619-S621 PolarHBondContact O-N 3.42Å; S621-Y623 VanDerWaalsContact C-N 3.3Å; S621-Y623 PolarHBondContact O-N 3.29Å; S621-K624 WeakPolarHBondContact O-CA 3.47Å; S621-K624 VanDerWaalsContact O-CB 3.23Å; S621-K624 WeakPolarHBondContact O-CB 3.48Å; S621-K624 PolarHBondContact O-N 2.84Å; S621-K624 PolarHBondContact OG-NZ 3.37Å; S621-F625 VanDerWaalsContact O-CE2 3.23Å; S621-F625 WeakPolarHBondContact O-CE2 3.49Å; S621-F625 VanDerWaalsContact O-CZ 3.3Å; S621-F625 WeakPolarHBondContact O-CZ 3.43Å
622	Y	54.4	Low	61.4	Low	37 Å²	37	45.9 Å²	45.9	15%	0.145	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-52.7	-45.7	180	177.3	-115.1	0	0	0	113.3	L613 Q619 A620 K624 F625 L633	L613-Y622 HydrophobicContact CD2-CD2 3.82Å; L613-Y622 HydrophobicContact CD2-CE2 3.79Å; L613-Y622 HydrophobicContact CD2-CG 4.25Å; Q619-Y622 WeakPolarHBondContact O-CB 3.25Å; Q619-Y622 PolarHBondContact O-N 3.44Å; A620-Y622 VanDerWaalsContact C-N 3.27Å; A620-Y622 PolarHBondContact O-N 3.28Å; Y622-K624 PolarHBondContact O-N 3.25Å; Y622-F625 HydrophobicContact CD2-CD2 4.18Å; Y622-F625 VanDerWaalsContact O-CD2 3.27Å; Y622-F625 WeakPolarHBondContact O-CD2 3.2Å; Y622-F625 PolarHBondContact O-N 3.32Å; Y622-L633 HydrophobicContact CE2-CB 4.45Å; Y622-L633 HydrophobicContact CE2-CD1 3.7Å; Y622-L633 WeakPolarHBondContact OH-CB 3Å
623	Y	47.5	Very low	60.6	Low	170 Å²	170	45.9 Å²	45.9	67%	0.667	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-66.6	-6.7	178.6	-53.9	-79.9	0	0	0	114.1	S621	S621-Y623 VanDerWaalsContact C-N 3.3Å; S621-Y623 PolarHBondContact O-N 3.29Å
624	K	48.3	Very low	60.2	Low	136 Å²	136	48.4 Å²	48.4	59%	0.591	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-94.6	4.7	178.9	-49.1	173.8	-166	157.2	0	112.9	S621 Y622 P626	S621-K624 WeakPolarHBondContact O-CA 3.47Å; S621-K624 VanDerWaalsContact O-CB 3.23Å; S621-K624 WeakPolarHBondContact O-CB 3.48Å; S621-K624 PolarHBondContact O-N 2.84Å; S621-K624 PolarHBondContact OG-NZ 3.37Å; Y622-K624 PolarHBondContact O-N 3.25Å; K624-P626 WeakPolarHBondContact O-CD 3.19Å
625	F	53.6	Low	60.4	Low	51 Å²	51	47.6 Å²	47.6	22%	0.224	24%	0.243	C	C	.	.			trans	-100.9	88.5	-178.6	-55	-45.5	0	0	0	112.5	W586 S621 Y622 G627 I628	W586-F625 HydrophobicContact CD2-CE1 4.43Å; W586-F625 HydrophobicContact CE3-CD1 4.46Å; W586-F625 AromaticContact CE3-CE1 3.86Å; W586-F625 HydrophobicContact CE3-CE1 3.86Å; W586-F625 HydrophobicContact CE3-CE2 4.36Å; W586-F625 AromaticContact CE3-CZ 3.84Å; W586-F625 HydrophobicContact CE3-CZ 3.84Å; W586-F625 AromaticContact CH2-CE1 3.84Å; W586-F625 HydrophobicContact CH2-CE1 3.84Å; W586-F625 HydrophobicContact CH2-CE2 4.04Å; W586-F625 AromaticContact CH2-CZ 3.25Å; W586-F625 HydrophobicContact CH2-CZ 3.25Å; W586-F625 HydrophobicContact CZ2-CE1 4.36Å; W586-F625 HydrophobicContact CZ2-CZ 4.15Å; W586-F625 HydrophobicContact CZ3-CD1 4.42Å; W586-F625 HydrophobicContact CZ3-CD2 4.42Å; W586-F625 AromaticContact CZ3-CE1 3.56Å; W586-F625 HydrophobicContact CZ3-CE1 3.56Å; W586-F625 AromaticContact CZ3-CE2 3.53Å; W586-F625 HydrophobicContact CZ3-CE2 3.53Å; W586-F625 AromaticContact CZ3-CZ 3.06Å; W586-F625 HydrophobicContact CZ3-CZ 3.06Å; S621-F625 VanDerWaalsContact O-CE2 3.23Å; S621-F625 WeakPolarHBondContact O-CE2 3.49Å; S621-F625 VanDerWaalsContact O-CZ 3.3Å; S621-F625 WeakPolarHBondContact O-CZ 3.43Å; Y622-F625 HydrophobicContact CD2-CD2 4.18Å; Y622-F625 VanDerWaalsContact O-CD2 3.27Å; Y622-F625 WeakPolarHBondContact O-CD2 3.2Å; Y622-F625 PolarHBondContact O-N 3.32Å; F625-G627 PolarHBondContact O-N 2.99Å; F625-I628 HydrophobicContact CB-CD1 4.24Å
626	P	44.5	Very low	60.9	Low	78 Å²	78	47.4 Å²	47.4	51%	0.506	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	123	-179	28.1	-36	0	0	0	111.9	K624	K624-P626 WeakPolarHBondContact O-CD 3.19Å
627	G	47.1	Very low	61.6	Low	41 Å²	41	47 Å²	47	42%	0.423	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	-10.7	164.6	0	0	0	0	0	116.2	Q583 F625	Q583-G627 PolarHBondContact NE2-O 3.31Å; Q583-G627 PolarHBondContact OE1-O 3.27Å; F625-G627 PolarHBondContact O-N 2.99Å
628	I	55.7	Low	62.6	Low	15 Å²	15	41.8 Å²	41.8	8%	0.077	22%	0.218	C	C	.	.	S	Bend	trans	-72.5	131	162.7	-51.3	172.5	0	0	0	107.3	Q583 W584 I587 F625 P630 L633	Q583-I628 HydrophobicContact CB-CG1 4Å; W584-I628 HydrophobicContact CZ2-CG2 4.21Å; I587-I628 HydrophobicContact CD1-CD1 3.76Å; F625-I628 HydrophobicContact CB-CD1 4.24Å; I628-P630 VanDerWaalsContact O-CD 3.31Å; I628-P630 WeakPolarHBondContact O-CD 3.41Å; I628-L633 HydrophobicContact CD1-CD1 4.45Å; I628-L633 HydrophobicContact CG2-CD1 3.6Å; I628-L633 HydrophobicContact CG2-CG 4.1Å
629	D	54.7	Low	63.8	Low	23 Å²	23	38.6 Å²	38.6	12%	0.123	20%	0.2	C	C	.	.			trans	-65.9	115.8	178.1	-179.2	-3.9	0	0	0	109.7	I631 I632	D629-I631 PolarHBondContact O-N 3.45Å; D629-I631 WeakPolarHBondContact OD1-CB 3.39Å; D629-I631 PolarHBondContact OD1-N 2.97Å; D629-I632 HydrophobicContact CB-CB 4.37Å; D629-I632 HydrophobicContact CB-CD1 3.88Å; D629-I632 HydrophobicContact CB-CG1 3.93Å; D629-I632 PolarHBondContact O-N 3.14Å; D629-I632 VanDerWaalsContact O-N 3.11Å
630	P	57	Low	65.5	Low	11 Å²	11	35.4 Å²	35.4	7%	0.071	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.9	-177.9	30.6	-38.4	0	0	0	113.3	I628 K634 W703	I628-P630 VanDerWaalsContact O-CD 3.31Å; I628-P630 WeakPolarHBondContact O-CD 3.41Å; P630-K634 WeakPolarHBondContact O-CE 3.3Å; P630-K634 WeakPolarHBondContact O-CG 3.47Å; P630-W703 HydrophobicContact CB-CZ3 3.99Å; P630-W703 HydrophobicContact CG-CE3 3.92Å; P630-W703 HydrophobicContact CG-CZ3 3.83Å
631	I	59.2	Low	67.2	Low	7 Å²	7	37.4 Å²	37.4	4%	0.036	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-32.6	175.7	-69	153.5	0	0	0	112	D629 F679 H710	D629-I631 PolarHBondContact O-N 3.45Å; D629-I631 WeakPolarHBondContact OD1-CB 3.39Å; D629-I631 PolarHBondContact OD1-N 2.97Å; I631-F679 HydrophobicContact CG2-CE1 3.98Å; I631-F679 HydrophobicContact CG2-CZ 4.18Å; I631-H710 WeakPolarHBondContact CD1-CD2 3.15Å; I631-H710 WeakPolarHBondContact CD1-NE2 3.32Å
632	I	61.9	Low	68.7	Low	39 Å²	39	39.3 Å²	39.3	20%	0.2	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-69.1	-40.8	177.7	-63.6	177.6	0	0	0	110.2	D629 K634 I637 P648	D629-I632 HydrophobicContact CB-CB 4.37Å; D629-I632 HydrophobicContact CB-CD1 3.88Å; D629-I632 HydrophobicContact CB-CG1 3.93Å; D629-I632 PolarHBondContact O-N 3.14Å; D629-I632 VanDerWaalsContact O-N 3.11Å; I632-K634 VanDerWaalsContact C-N 3.31Å; I632-K634 PolarHBondContact O-N 3.02Å; I632-I637 HydrophobicContact CG2-CG2 4.13Å; I632-I637 WeakPolarHBondContact O-CG2 3.27Å; I632-P648 HydrophobicContact CD1-CG 4.3Å; I632-P648 HydrophobicContact CG2-CB 3.81Å; I632-P648 HydrophobicContact CG2-CG 3.98Å
633	L	69	Low	69.8	Low	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-83.8	13.5	-179.4	-82.6	-176.8	0	0	0	115.3	W584 I612 L613 Y622 I628 G635 I637	W584-L633 HydrophobicContact CH2-CD1 4.41Å; W584-L633 HydrophobicContact CH2-CD2 4.2Å; W584-L633 HydrophobicContact CH2-CG 4.45Å; I612-L633 HydrophobicContact CB-CD2 4.01Å; I612-L633 HydrophobicContact CG2-CD2 4.46Å; L613-L633 WeakPolarHBondContact CD1-O 2.97Å; L613-L633 HydrophobicContact CD2-CB 4.4Å; L613-L633 HydrophobicContact CD2-CD1 4.47Å; L613-L633 WeakPolarHBondContact CG-O 3.49Å; Y622-L633 HydrophobicContact CE2-CB 4.45Å; Y622-L633 HydrophobicContact CE2-CD1 3.7Å; Y622-L633 WeakPolarHBondContact OH-CB 3Å; I628-L633 HydrophobicContact CD1-CD1 4.45Å; I628-L633 HydrophobicContact CG2-CD1 3.6Å; I628-L633 HydrophobicContact CG2-CG 4.1Å; L633-G635 PolarHBondContact O-N 3.22Å; L633-G635 VanDerWaalsContact O-N 3.13Å; L633-I637 HydrophobicContact CD2-CD1 4.13Å
634	K	71.6	Confident	71.1	Confident	67 Å²	67	44.1 Å²	44.1	29%	0.291	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-68.5	-9.7	-179.9	-64.4	-166.6	175.9	-175.6	0	114.7	M547 L548 P630 I632 E704	M547-K634 CarbonylContact C-O 3.58Å; M547-K634 VanDerWaalsContact C-O 3.29Å; M547-K634 WeakPolarHBondContact CG-O 3.22Å; L548-K634 WeakPolarHBondContact CD2-O 3.05Å; L548-K634 PolarHBondContact N-O 2.05Å; P630-K634 WeakPolarHBondContact O-CE 3.3Å; P630-K634 WeakPolarHBondContact O-CG 3.47Å; I632-K634 VanDerWaalsContact C-N 3.31Å; I632-K634 PolarHBondContact O-N 3.02Å; K634-E704 PolarHBondContact NZ-O 3.19Å
635	G	83.4	Confident	72.4	Confident	7 Å²	7	44.7 Å²	44.7	7%	0.072	24%	0.235	C	C	.	.	S	Bend	trans	-175.5	-151.6	175.8	0	0	0	0	0	113.2	M547 L633 I637	M547-G635 WeakPolarHBondContact O-CA 3.09Å; L633-G635 PolarHBondContact O-N 3.22Å; L633-G635 VanDerWaalsContact O-N 3.13Å; G635-I637 WeakPolarHBondContact O-CG2 3.3Å; G635-I637 PolarHBondContact O-N 2.81Å
636	P	92.7	Very high	73.7	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	24%	0.235	C	C	.	.			trans	-63	125.6	-175.8	-20.8	31.2	0	0	0	113.8	I542 I550 Y552 C609 N611 C651 F652	I542-P636 HydrophobicContact CD1-CG 3.81Å; I550-P636 HydrophobicContact CG2-CG 3.97Å; Y552-P636 HydrophobicContact CG-CB 4.43Å; Y552-P636 HydrophobicContact CG-CG 4.23Å; C609-P636 HydrophobicContact CB-CB 4.29Å; N611-P636 HydrophobicContact CB-CG 4.24Å; P636-C651 PolarHBondContact O-N 3.29Å; P636-F652 HydrophobicContact CB-CD2 3.91Å; P636-F652 HydrophobicContact CB-CE2 3.99Å; P636-F652 HydrophobicContact CG-CD2 4.02Å; P636-F652 HydrophobicContact CG-CE2 4.16Å
637	I	92.4	Very high	75.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	171.1	178.7	69.8	161.5	0	0	0	111.9	W568 W584 C609 L610 I612 I632 L633 G635 F639 P648 Q649	W568-I637 HydrophobicContact CH2-CG1 4.23Å; W568-I637 WeakPolarHBondContact CZ2-O 3.36Å; W584-I637 HydrophobicContact CH2-CD1 4.16Å; C609-I637 CarbonylContact C-O 3.56Å; C609-I637 VanDerWaalsContact CA-O 3.23Å; C609-I637 WeakPolarHBondContact CA-O 3.31Å; C609-I637 WeakPolarHBondContact CB-O 3.37Å; L610-I637 PolarHBondContact N-O 2.99Å; L610-I637 PolarHBondContact O-N 3.44Å; I612-I637 HydrophobicContact CD1-CD1 3.81Å; I612-I637 HydrophobicContact CD1-CG1 4.25Å; I612-I637 HydrophobicContact CG1-CD1 4.4Å; I612-I637 HydrophobicContact CG1-CG1 4.36Å; I632-I637 HydrophobicContact CG2-CG2 4.13Å; I632-I637 WeakPolarHBondContact O-CG2 3.27Å; L633-I637 HydrophobicContact CD2-CD1 4.13Å; G635-I637 WeakPolarHBondContact O-CG2 3.3Å; G635-I637 PolarHBondContact O-N 2.81Å; I637-F639 HydrophobicContact CD1-CE2 4.04Å; I637-F639 HydrophobicContact CD1-CZ 4.5Å; I637-P648 HydrophobicContact CD1-CB 3.8Å; I637-Q649 WeakPolarHBondContact CA-O 3Å; I637-Q649 WeakPolarHBondContact CB-O 2.95Å
638	C	94.3	Very high	77.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	173.5	154.6	75.1	0	0	0	0	110.1	C565 W568 P648 Q649	C565-C638 VanDerWaalsContact CA-SG 3.56Å; C565-C638 HydrophobicContact CB-CB 3.51Å; C565-C638 WeakPolarHBondContact CB-SG 3.26Å; C565-C638 WeakPolarHBondContact SG-CB 3.43Å; C565-C638 CovalentContact SG-SG 2.02Å; C565-C638 PolarHBondContact SG-SG 2.87Å; W568-C638 HydrophobicContact CZ2-CB 4.49Å; C638-P648 CarbonylContact O-C 3.53Å; C638-P648 WeakPolarHBondContact O-CA 3.23Å; C638-Q649 PolarHBondContact N-O 3.34Å; C638-Q649 PolarHBondContact O-N 3.2Å; C638-Q649 VanDerWaalsContact O-O 3.12Å
639	F	92.1	Very high	78.9	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.5	174	-73	-101.7	0	0	0	111	L566 W568 V571 W584 F588 I637 I646 V647 P648	L566-F639 WeakPolarHBondContact CB-O 3.31Å; L566-F639 HydrophobicContact CD1-CB 4.32Å; L566-F639 WeakPolarHBondContact CG-O 3.37Å; L566-F639 PolarHBondContact N-O 2.91Å; W568-F639 AromaticContact CH2-CD2 3.92Å; W568-F639 HydrophobicContact CH2-CD2 3.92Å; W568-F639 AromaticContact CH2-CE2 3.91Å; W568-F639 HydrophobicContact CH2-CE2 3.91Å; W568-F639 AromaticContact CZ3-CD2 3.81Å; W568-F639 HydrophobicContact CZ3-CD2 3.81Å; W568-F639 AromaticContact CZ3-CE2 3.71Å; W568-F639 HydrophobicContact CZ3-CE2 3.71Å; V571-F639 HydrophobicContact CG1-CD1 4.45Å; V571-F639 HydrophobicContact CG1-CD2 3.78Å; V571-F639 HydrophobicContact CG1-CE2 4.09Å; V571-F639 HydrophobicContact CG1-CG 3.99Å; V571-F639 HydrophobicContact CG2-CB 3.74Å; V571-F639 HydrophobicContact CG2-CD2 4.26Å; V571-F639 HydrophobicContact CG2-CG 4.1Å; W584-F639 HydrophobicContact CD2-CE1 4.33Å; W584-F639 AromaticContact CD2-CZ 3.86Å; W584-F639 HydrophobicContact CD2-CZ 3.86Å; W584-F639 AromaticContact CE2-CZ 3.88Å; W584-F639 AromaticContact CE3-CZ 3.89Å; W584-F639 HydrophobicContact CE3-CZ 3.89Å; W584-F639 HydrophobicContact CH2-CZ 4.02Å; W584-F639 AromaticContact CZ2-CZ 3.99Å; W584-F639 HydrophobicContact CZ2-CZ 3.99Å; W584-F639 AromaticContact CZ3-CZ 3.96Å; W584-F639 HydrophobicContact CZ3-CZ 3.96Å; F588-F639 HydrophobicContact CE2-CE2 4.4Å; F588-F639 HydrophobicContact CE2-CZ 4.02Å; F588-F639 AromaticContact CZ-CE2 3.72Å; F588-F639 HydrophobicContact CZ-CE2 3.72Å; F588-F639 AromaticContact CZ-CZ 3.75Å; F588-F639 HydrophobicContact CZ-CZ 3.75Å; I637-F639 HydrophobicContact CD1-CE2 4.04Å; I637-F639 HydrophobicContact CD1-CZ 4.5Å; F639-I646 HydrophobicContact CB-CG2 4.21Å; F639-I646 HydrophobicContact CD1-CG2 4.03Å; F639-V647 WeakPolarHBondContact CA-O 3.28Å; F639-P648 HydrophobicContact CD1-CB 4.25Å; F639-P648 HydrophobicContact CE1-CB 3.87Å; F639-P648 HydrophobicContact CE1-CG 4.27Å; F639-P648 HydrophobicContact CE2-CB 4.43Å; F639-P648 HydrophobicContact CZ-CB 3.96Å
640	V	92.2	Very high	80.6	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.8	173.4	-58.7	0	0	0	0	110.4	T559 K563 I646 V647 Q649	T559-V640 HydrophobicContact CG2-CG1 3.51Å; K563-V640 HydrophobicContact CB-CG1 4.05Å; V640-I646 WeakPolarHBondContact O-CA 3.26Å; V640-V647 HydrophobicContact CG2-CG2 3.94Å; V640-V647 PolarHBondContact N-O 3.43Å; V640-V647 PolarHBondContact O-N 3.13Å; V640-Q649 VanDerWaalsContact CG2-CD 3.44Å; V640-Q649 HydrophobicContact CG2-CG 4Å; V640-Q649 VanDerWaalsContact CG2-NE2 3.34Å
641	N	88.3	Confident	82.4	Confident	83 Å²	83	41 Å²	41	44%	0.444	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.9	167.2	180	-18.8	0	0	0	108.8	D644 I646	N641-D644 WeakPolarHBondContact OD1-CA 3.28Å; N641-D644 PolarHBondContact OD1-N 2.91Å; N641-I646 HydrophobicContact CB-CD1 3.91Å
642	E	82.5	Confident	83.9	Confident	55 Å²	55	41 Å²	41	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	99.1	175.7	-164.7	78.8	-131.9	0	0	109.2	K563 D644 F645 V647 Q649	K563-E642 IonicContact NZ-OE1 3.61Å; K563-E642 PolarHBondContact NZ-OE1 3.38Å; K563-E642 IonicContact NZ-OE2 3.48Å; K563-E642 PolarHBondContact NZ-OE2 3.12Å; E642-D644 VanDerWaalsContact C-N 3.35Å; E642-D644 PolarHBondContact O-N 2.85Å; E642-F645 PolarHBondContact N-O 2.91Å; E642-F645 WeakPolarHBondContact O-CB 3.46Å; E642-F645 PolarHBondContact O-N 3.24Å; E642-V647 HydrophobicContact CB-CG2 3.55Å; E642-V647 HydrophobicContact CG-CG2 4.44Å; E642-Q649 PolarHBondContact OE2-NE2 3.3Å
643	Q	78.9	Confident	85.2	Confident	161 Å²	161	40.8 Å²	40.8	75%	0.752	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	45.4	177.7	-51.2	179.6	22.8	0	0	113.2	F645	Q643-F645 WeakPolarHBondContact O-CD2 3.39Å; Q643-F645 PolarHBondContact O-N 2.68Å
644	D	74.9	Confident	86.1	Confident	147 Å²	147	41.2 Å²	41.2	79%	0.786	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	2.8	-175.1	-55.6	-47.7	0	0	0	115.4	N641 E642	N641-D644 WeakPolarHBondContact OD1-CA 3.28Å; N641-D644 PolarHBondContact OD1-N 2.91Å; E642-D644 VanDerWaalsContact C-N 3.35Å; E642-D644 PolarHBondContact O-N 2.85Å
645	F	73.9	Confident	87	Confident	147 Å²	147	38 Å²	38	65%	0.645	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.3	168.3	-62	-87.1	0	0	0	111.3	E642 Q643 V647	E642-F645 PolarHBondContact N-O 2.91Å; E642-F645 WeakPolarHBondContact O-CB 3.46Å; E642-F645 PolarHBondContact O-N 3.24Å; Q643-F645 WeakPolarHBondContact O-CD2 3.39Å; Q643-F645 PolarHBondContact O-N 2.68Å; F645-V647 HydrophobicContact CB-CG1 4.06Å; F645-V647 PolarHBondContact O-N 3.47Å
646	I	82.7	Confident	87.3	Confident	43 Å²	43	40.4 Å²	40.4	22%	0.221	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.3	174.6	-52.6	-56.8	0	0	0	108.8	L566 L574 M580 F639 V640 N641	L566-I646 HydrophobicContact CD1-CD1 3.94Å; L566-I646 HydrophobicContact CD1-CG2 3.96Å; L574-I646 HydrophobicContact CD1-CG1 3.87Å; L574-I646 HydrophobicContact CD1-CG2 4.36Å; M580-I646 HydrophobicContact CE-CB 4.34Å; M580-I646 HydrophobicContact CE-CG2 3.68Å; F639-I646 HydrophobicContact CB-CG2 4.21Å; F639-I646 HydrophobicContact CD1-CG2 4.03Å; V640-I646 WeakPolarHBondContact O-CA 3.26Å; N641-I646 HydrophobicContact CB-CD1 3.91Å
647	V	82	Confident	87.2	Confident	43 Å²	43	40.6 Å²	40.6	26%	0.261	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.3	-171.5	-62.5	0	0	0	0	112.3	F639 V640 E642 F645	F639-V647 WeakPolarHBondContact CA-O 3.28Å; V640-V647 HydrophobicContact CG2-CG2 3.94Å; V640-V647 PolarHBondContact N-O 3.43Å; V640-V647 PolarHBondContact O-N 3.13Å; E642-V647 HydrophobicContact CB-CG2 3.55Å; E642-V647 HydrophobicContact CG-CG2 4.44Å; F645-V647 HydrophobicContact CB-CG1 4.06Å; F645-V647 PolarHBondContact O-N 3.47Å
648	P	86.8	Confident	87.1	Confident	20 Å²	20	42.5 Å²	42.5	13%	0.13	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.9	171.8	33	-36.6	0	0	0	110.5	W584 I632 I637 C638 F639	W584-P648 HydrophobicContact CZ2-CB 4.05Å; W584-P648 HydrophobicContact CZ2-CG 3.8Å; I632-P648 HydrophobicContact CD1-CG 4.3Å; I632-P648 HydrophobicContact CG2-CB 3.81Å; I632-P648 HydrophobicContact CG2-CG 3.98Å; I637-P648 HydrophobicContact CD1-CB 3.8Å; C638-P648 CarbonylContact O-C 3.53Å; C638-P648 WeakPolarHBondContact O-CA 3.23Å; F639-P648 HydrophobicContact CD1-CB 4.25Å; F639-P648 HydrophobicContact CE1-CB 3.87Å; F639-P648 HydrophobicContact CE1-CG 4.27Å; F639-P648 HydrophobicContact CE2-CB 4.43Å; F639-P648 HydrophobicContact CZ-CB 3.96Å
649	Q	87.4	Confident	87	Confident	21 Å²	21	43.2 Å²	43.2	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	142	171.9	-76.2	-177.2	16.6	0	0	110.3	T559 I637 C638 V640 E642	T559-Q649 HydrophobicContact CG2-CB 3.51Å; T559-Q649 HydrophobicContact CG2-CG 4.47Å; T559-Q649 PolarHBondContact OG1-OE1 3.46Å; I637-Q649 WeakPolarHBondContact CA-O 3Å; I637-Q649 WeakPolarHBondContact CB-O 2.95Å; C638-Q649 PolarHBondContact N-O 3.34Å; C638-Q649 PolarHBondContact O-N 3.2Å; C638-Q649 VanDerWaalsContact O-O 3.12Å; V640-Q649 VanDerWaalsContact CG2-CD 3.44Å; V640-Q649 HydrophobicContact CG2-CG 4Å; V640-Q649 VanDerWaalsContact CG2-NE2 3.34Å; E642-Q649 PolarHBondContact OE2-NE2 3.3Å
650	P	90.5	Very high	87	Confident	15 Å²	15	44.6 Å²	44.6	10%	0.097	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	149.8	177.9	29	-32.9	0	0	0	111.7	T559 I560 F679	T559-P650 WeakPolarHBondContact CA-O 3.37Å; I560-P650 HydrophobicContact CD1-CG 3.86Å; I560-P650 HydrophobicContact CG1-CG 4.18Å; I560-P650 PolarHBondContact N-O 3.05Å; P650-F679 HydrophobicContact CB-CZ 4.35Å; P650-F679 HydrophobicContact CG-CE1 3.84Å; P650-F679 HydrophobicContact CG-CE2 4.11Å; P650-F679 HydrophobicContact CG-CZ 3.51Å
651	C	93.2	Very high	87	Confident	1 Å²	1	47 Å²	47	1%	0.007	24%	0.238	C	C	.	.			trans	-101.1	-10.3	178.9	-60.9	0	0	0	0	114.1	K556 C609 P636	K556-C651 HydrophobicContact CD-CB 4.42Å; K556-C651 WeakPolarHBondContact CE-O 3.29Å; K556-C651 PolarHBondContact NZ-O 3.39Å; C609-C651 HydrophobicContact CB-CB 3.66Å; C609-C651 WeakPolarHBondContact CB-SG 3.41Å; C609-C651 WeakPolarHBondContact SG-CB 3.48Å; C609-C651 CovalentContact SG-SG 2.02Å; C609-C651 PolarHBondContact SG-SG 2.97Å; P636-C651 PolarHBondContact O-N 3.29Å
652	F	91.4	Very high	87.2	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.031	24%	0.242	C	C	.	.			trans	-131.7	147.3	-175.3	-69	-95.8	0	0	0	111.8	L539 F540 I542 M547 Y552 K556 P636	L539-F652 HydrophobicContact CB-CE1 4.29Å; L539-F652 HydrophobicContact CD2-CE1 3.95Å; L539-F652 HydrophobicContact CD2-CZ 4.13Å; L539-F652 HydrophobicContact CG-CE1 3.89Å; L539-F652 HydrophobicContact CG-CZ 4.44Å; L539-F652 VanDerWaalsContact O-CE1 3.31Å; L539-F652 WeakPolarHBondContact O-CE1 3.43Å; F540-F652 WeakPolarHBondContact O-CD1 3.38Å; I542-F652 HydrophobicContact CD1-CB 3.94Å; I542-F652 HydrophobicContact CD1-CD1 3.53Å; I542-F652 HydrophobicContact CD1-CD2 3.64Å; I542-F652 HydrophobicContact CD1-CE1 3.85Å; I542-F652 HydrophobicContact CD1-CE2 3.96Å; I542-F652 HydrophobicContact CD1-CG 3.42Å; I542-F652 VanDerWaalsContact CD1-CG 3.42Å; I542-F652 HydrophobicContact CD1-CZ 4.06Å; I542-F652 HydrophobicContact CG1-CD1 3.72Å; I542-F652 HydrophobicContact CG1-CE1 4Å; I542-F652 HydrophobicContact CG1-CG 4.1Å; M547-F652 HydrophobicContact CE-CB 4.16Å; M547-F652 HydrophobicContact SD-CB 4.11Å; Y552-F652 HydrophobicContact CD1-CE2 4.33Å; Y552-F652 HydrophobicContact CD2-CE2 4.21Å; Y552-F652 AromaticContact CD2-CZ 3.91Å; Y552-F652 HydrophobicContact CD2-CZ 3.91Å; Y552-F652 HydrophobicContact CE1-CE2 4.26Å; Y552-F652 HydrophobicContact CE1-CZ 4.26Å; Y552-F652 HydrophobicContact CE2-CE1 4.47Å; Y552-F652 HydrophobicContact CE2-CE2 4.15Å; Y552-F652 AromaticContact CE2-CZ 3.52Å; Y552-F652 HydrophobicContact CE2-CZ 3.52Å; Y552-F652 HydrophobicContact CG-CE2 4.3Å; Y552-F652 HydrophobicContact CG-CZ 4.44Å; Y552-F652 AromaticContact CZ-CZ 3.72Å; K556-F652 HydrophobicContact CB-CZ 4.37Å; K556-F652 HydrophobicContact CD-CD1 4.33Å; K556-F652 HydrophobicContact CD-CD2 4.25Å; K556-F652 HydrophobicContact CD-CE1 3.71Å; K556-F652 HydrophobicContact CD-CE2 3.61Å; K556-F652 HydrophobicContact CD-CZ 3.3Å; K556-F652 HydrophobicContact CG-CZ 4.47Å; P636-F652 HydrophobicContact CB-CD2 3.91Å; P636-F652 HydrophobicContact CB-CE2 3.99Å; P636-F652 HydrophobicContact CG-CD2 4.02Å; P636-F652 HydrophobicContact CG-CE2 4.16Å
653	L	88.2	Confident	87.7	Confident	34 Å²	34	46.5 Å²	46.5	18%	0.178	23%	0.233	C	C	.	.			trans	-91.4	156.1	154.4	-68.7	171.5	0	0	0	107.7	M547 I560 D657 M658 F679	M547-L653 WeakPolarHBondContact CE-O 3.47Å; I560-L653 HydrophobicContact CG2-CG 4.37Å; L653-D657 HydrophobicContact CB-CB 4.37Å; L653-D657 HydrophobicContact CD2-CB 4.45Å; L653-M658 HydrophobicContact CB-CB 4.3Å; L653-M658 HydrophobicContact CB-CE 4.33Å; L653-M658 HydrophobicContact CD1-CB 4.42Å; L653-M658 HydrophobicContact CD1-CE 4.49Å; L653-F679 HydrophobicContact CD2-CD2 3.72Å; L653-F679 HydrophobicContact CD2-CE2 4.11Å
654	T	89.7	Confident	88.4	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-63.1	150.5	163.1	67.5	0	0	0	0	109.2	I542 R544 M547 E656 D657 M658	I542-T654 CarbonylContact O-C 3.59Å; I542-T654 VanDerWaalsContact O-CA 3.22Å; I542-T654 WeakPolarHBondContact O-CA 3.25Å; R544-T654 HydrophobicContact CB-CG2 3.93Å; R544-T654 HydrophobicContact CG-CG2 4.02Å; M547-T654 HydrophobicContact CE-CG2 3.69Å; T654-E656 WeakPolarHBondContact CB-OE2 3.38Å; T654-E656 PolarHBondContact O-N 2.99Å; T654-D657 PolarHBondContact O-N 2.99Å; T654-D657 WeakPolarHBondContact OG1-CB 3.33Å; T654-D657 PolarHBondContact OG1-N 3.22Å; T654-D657 PolarHBondContact OG1-OD2 3.48Å; T654-M658 WeakPolarHBondContact O-CB 3.33Å; T654-M658 PolarHBondContact O-N 2.79Å
655	C	89.6	Confident	89.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-29	177.1	-64.9	0	0	0	0	111.7	C541 I542 D543 S659 H750 K751 E752	C541-C655 HydrophobicContact CB-CB 3.89Å; C541-C655 WeakPolarHBondContact CB-SG 3.38Å; C541-C655 WeakPolarHBondContact SG-CA 3.42Å; C541-C655 WeakPolarHBondContact SG-CB 3.41Å; C541-C655 CovalentContact SG-SG 2.03Å; C541-C655 PolarHBondContact SG-SG 3.23Å; I542-C655 PolarHBondContact N-SG 3.05Å; I542-C655 VanDerWaalsContact N-SG 3.39Å; I542-C655 PolarHBondContact O-N 3.3Å; D543-C655 VanDerWaalsContact OD1-CB 3.26Å; D543-C655 WeakPolarHBondContact OD1-CB 2.99Å; D543-C655 PolarHBondContact OD1-SG 2.88Å; C655-S659 WeakPolarHBondContact O-CB 3.36Å; C655-S659 PolarHBondContact O-N 2.89Å; C655-S659 PolarHBondContact O-OG 3.07Å; C655-H750 HydrophobicContact CB-CB 4.15Å; C655-H750 WeakPolarHBondContact CB-O 3.11Å; C655-K751 VanDerWaalsContact SG-C 3.52Å; C655-E752 PolarHBondContact SG-N 3.24Å
656	E	89.8	Confident	90.1	Very high	58 Å²	58	29.3 Å²	29.3	27%	0.271	15%	0.153	S	C	.	.	H	α-helix	trans	-72.1	-45	173.2	-50.4	100	112.3	0	0	112.7	R544 T654 M658 S659 V660	R544-E656 VanDerWaalsContact CB-OE1 3.22Å; R544-E656 WeakPolarHBondContact CB-OE1 3.44Å; R544-E656 IonicContact CZ-OE1 3.26Å; R544-E656 VanDerWaalsContact CZ-OE1 3.27Å; R544-E656 PolarHBondContact N-OE2 3.12Å; R544-E656 IonicContact NH1-OE1 2.66Å; R544-E656 PolarHBondContact NH1-OE1 3.19Å; R544-E656 IonicContact NH2-OE1 3.04Å; T654-E656 WeakPolarHBondContact CB-OE2 3.38Å; T654-E656 PolarHBondContact O-N 2.99Å; E656-M658 VanDerWaalsContact C-N 3.31Å; E656-M658 PolarHBondContact O-N 2.51Å; E656-S659 PolarHBondContact O-N 3.08Å; E656-V660 WeakPolarHBondContact O-CG2 3.3Å; E656-V660 PolarHBondContact O-N 3.08Å
657	D	90.5	Very high	90.4	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-40.7	173.4	-72.8	-51	0	0	0	110.9	L653 T654 V660 E661 Y676 T677 G678	L653-D657 HydrophobicContact CB-CB 4.37Å; L653-D657 HydrophobicContact CD2-CB 4.45Å; T654-D657 PolarHBondContact O-N 2.99Å; T654-D657 WeakPolarHBondContact OG1-CB 3.33Å; T654-D657 PolarHBondContact OG1-N 3.22Å; T654-D657 PolarHBondContact OG1-OD2 3.48Å; D657-V660 PolarHBondContact O-N 3.26Å; D657-E661 WeakPolarHBondContact O-CG 3.27Å; D657-E661 PolarHBondContact O-N 2.98Å; D657-Y676 HydrophobicContact CB-CE2 4.45Å; D657-Y676 WeakPolarHBondContact OD1-CA 3.43Å; D657-Y676 WeakPolarHBondContact OD1-CD2 3.4Å; D657-T677 PolarHBondContact OD1-N 3.25Å; D657-T677 WeakPolarHBondContact OD2-CB 3.13Å; D657-T677 PolarHBondContact OD2-OG1 3.33Å; D657-G678 VanDerWaalsContact CG-N 3.26Å; D657-G678 PolarHBondContact OD1-N 3.26Å; D657-G678 PolarHBondContact OD2-N 3.22Å
658	M	91.3	Very high	90.7	Very high	41 Å²	41	33.5 Å²	33.5	20%	0.202	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-44.3	176.7	-173.7	172.1	-70	0	0	111.3	C541 L653 T654 E656 V660 E661 E662	C541-M658 HydrophobicContact CB-CE 3.73Å; C541-M658 HydrophobicContact CB-SD 3.85Å; L653-M658 HydrophobicContact CB-CB 4.3Å; L653-M658 HydrophobicContact CB-CE 4.33Å; L653-M658 HydrophobicContact CD1-CB 4.42Å; L653-M658 HydrophobicContact CD1-CE 4.49Å; T654-M658 WeakPolarHBondContact O-CB 3.33Å; T654-M658 PolarHBondContact O-N 2.79Å; E656-M658 VanDerWaalsContact C-N 3.31Å; E656-M658 PolarHBondContact O-N 2.51Å; M658-V660 VanDerWaalsContact C-N 3.33Å; M658-V660 PolarHBondContact O-N 3.17Å; M658-E661 PolarHBondContact O-N 3.25Å; M658-E662 PolarHBondContact O-N 3.25Å
659	S	92	Very high	90.6	Very high	14 Å²	14	37 Å²	37	10%	0.098	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-40.9	174	-57.6	0	0	0	0	112	C655 E656 N663 H750	C655-S659 WeakPolarHBondContact O-CB 3.36Å; C655-S659 PolarHBondContact O-N 2.89Å; C655-S659 PolarHBondContact O-OG 3.07Å; E656-S659 PolarHBondContact O-N 3.08Å; S659-N663 VanDerWaalsContact O-CB 3.29Å; S659-N663 WeakPolarHBondContact O-CB 3.36Å; S659-N663 PolarHBondContact O-N 3.28Å; S659-N663 PolarHBondContact O-ND2 3.41Å; S659-H750 PolarHBondContact OG-N 3.34Å
660	V	92	Very high	90.5	Very high	30 Å²	30	39.2 Å²	39.2	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-69.4	-39.1	178.2	166.4	0	0	0	0	112.2	E656 D657 M658 N664 I666 Y676 F738	E656-V660 WeakPolarHBondContact O-CG2 3.3Å; E656-V660 PolarHBondContact O-N 3.08Å; D657-V660 PolarHBondContact O-N 3.26Å; M658-V660 VanDerWaalsContact C-N 3.33Å; M658-V660 PolarHBondContact O-N 3.17Å; V660-N664 WeakPolarHBondContact O-CA 3.35Å; V660-N664 PolarHBondContact O-N 3.1Å; V660-I666 HydrophobicContact CG1-CD1 4.02Å; V660-I666 HydrophobicContact CG1-CG1 3.66Å; V660-I666 HydrophobicContact CG2-CG1 4.09Å; V660-Y676 HydrophobicContact CG1-CD2 4.02Å; V660-Y676 HydrophobicContact CG1-CE2 4.35Å; V660-F738 HydrophobicContact CG1-CD1 3.72Å; V660-F738 HydrophobicContact CG1-CD2 4.42Å; V660-F738 HydrophobicContact CG1-CE1 3.43Å; V660-F738 VanDerWaalsContact CG1-CE1 3.43Å; V660-F738 HydrophobicContact CG1-CE2 4.18Å; V660-F738 HydrophobicContact CG1-CG 4.22Å; V660-F738 HydrophobicContact CG1-CZ 3.69Å
661	E	92.3	Very high	90.2	Very high	54 Å²	54	39 Å²	39	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-48.8	175.2	-73.5	-60.6	151.5	0	0	112.4	D657 M658 N664 Y676 R680 F738	D657-E661 WeakPolarHBondContact O-CG 3.27Å; D657-E661 PolarHBondContact O-N 2.98Å; M658-E661 PolarHBondContact O-N 3.25Å; E661-N664 WeakPolarHBondContact O-CA 3.35Å; E661-N664 PolarHBondContact O-N 3.18Å; E661-Y676 HydrophobicContact CG-CE2 4.48Å; E661-Y676 WeakPolarHBondContact OE1-CE2 3.39Å; E661-Y676 VanDerWaalsContact OE1-CZ 3.3Å; E661-Y676 PolarHBondContact OE1-OH 2.84Å; E661-R680 WeakPolarHBondContact OE1-CB 3.49Å; E661-R680 IonicContact OE1-CZ 2.8Å; E661-R680 IonicContact OE1-NE 2.71Å; E661-R680 PolarHBondContact OE1-NE 2.89Å; E661-R680 IonicContact OE2-CZ 3.93Å; E661-R680 VanDerWaalsContact OE2-CZ 3.29Å; E661-R680 IonicContact OE2-NE 2.71Å; E661-R680 PolarHBondContact OE2-NE 3.44Å; E661-R680 VanDerWaalsContact OE2-NE 3.07Å; E661-R680 IonicContact OE2-NH2 3.27Å; E661-R680 PolarHBondContact OE2-NH2 2.8Å; E661-F738 WeakPolarHBondContact OE1-CZ 3.43Å
662	E	92.4	Very high	89.6	Confident	114 Å²	114	43.8 Å²	43.8	53%	0.533	24%	0.239	S	C	.	.	H	α-helix	trans	-67.2	-41.2	-178.5	-175.7	174.7	174.8	0	0	112.2	M658 N664 H750	M658-E662 PolarHBondContact O-N 3.25Å; E662-N664 PolarHBondContact O-N 3.08Å; E662-H750 IonicContact OE2-CD2 3.4Å; E662-H750 IonicContact OE2-CE1 3.77Å; E662-H750 IonicContact OE2-NE2 2.85Å; E662-H750 PolarHBondContact OE2-NE2 3.28Å
663	N	92.6	Very high	89	Confident	14 Å²	14	47.7 Å²	47.7	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-20.3	172.2	-74.5	-61.4	0	0	0	112.7	S659 C665 K745 L747 V748	S659-N663 VanDerWaalsContact O-CB 3.29Å; S659-N663 WeakPolarHBondContact O-CB 3.36Å; S659-N663 PolarHBondContact O-N 3.28Å; S659-N663 PolarHBondContact O-ND2 3.41Å; N663-C665 PolarHBondContact O-N 3.4Å; N663-C665 VanDerWaalsContact O-N 3.09Å; N663-C665 PolarHBondContact O-SG 3.32Å; N663-C665 VanDerWaalsContact O-SG 3.39Å; N663-K745 PolarHBondContact O-NZ 3.37Å; N663-L747 HydrophobicContact CB-CD2 4.3Å; N663-L747 VanDerWaalsContact OD1-CA 3.28Å; N663-L747 WeakPolarHBondContact OD1-CA 3.47Å; N663-L747 WeakPolarHBondContact OD1-CD2 3.39Å; N663-V748 PolarHBondContact ND2-O 3.38Å; N663-V748 PolarHBondContact OD1-N 2.99Å; N663-V748 VanDerWaalsContact OD1-N 3.1Å
664	N	93.6	Very high	88.7	Confident	83 Å²	83	46.8 Å²	46.8	44%	0.444	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	23.5	-171.3	-168.7	49.8	0	0	0	113.6	V660 E661 E662 R680	V660-N664 WeakPolarHBondContact O-CA 3.35Å; V660-N664 PolarHBondContact O-N 3.1Å; E661-N664 WeakPolarHBondContact O-CA 3.35Å; E661-N664 PolarHBondContact O-N 3.18Å; E662-N664 PolarHBondContact O-N 3.08Å; N664-R680 VanDerWaalsContact OD1-CZ 3.28Å; N664-R680 PolarHBondContact OD1-NH1 3.04Å; N664-R680 PolarHBondContact OD1-NH2 2.92Å
665	C	93.3	Very high	88.2	Confident	6 Å²	6	50.7 Å²	50.7	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162	-175.6	69.5	0	0	0	0	110.6	N663 D739 C741	N663-C665 PolarHBondContact O-N 3.4Å; N663-C665 VanDerWaalsContact O-N 3.09Å; N663-C665 PolarHBondContact O-SG 3.32Å; N663-C665 VanDerWaalsContact O-SG 3.39Å; C665-D739 CarbonylContact C-O 3.57Å; C665-D739 WeakPolarHBondContact CA-O 3.4Å; C665-D739 VanDerWaalsContact CB-O 3.23Å; C665-D739 WeakPolarHBondContact CB-O 3.32Å; C665-C741 HydrophobicContact CB-CB 3.98Å; C665-C741 WeakPolarHBondContact CB-SG 3.1Å; C665-C741 PolarHBondContact O-SG 2.99Å; C665-C741 WeakPolarHBondContact SG-CA 3.17Å; C665-C741 WeakPolarHBondContact SG-CB 3.44Å; C665-C741 CovalentContact SG-SG 2.05Å; C665-C741 PolarHBondContact SG-SG 2.93Å
666	I	91.5	Very high	88	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.3	177.1	-63.4	168.4	0	0	0	109.6	V660 I671 A674 P723 F738 D739 C741	V660-I666 HydrophobicContact CG1-CD1 4.02Å; V660-I666 HydrophobicContact CG1-CG1 3.66Å; V660-I666 HydrophobicContact CG2-CG1 4.09Å; I666-I671 HydrophobicContact CB-CG1 4.49Å; I666-I671 HydrophobicContact CG2-CB 4.14Å; I666-I671 HydrophobicContact CG2-CG1 4.28Å; I666-A674 HydrophobicContact CD1-CB 4.24Å; I666-A674 HydrophobicContact CG2-CB 3.94Å; I666-P723 HydrophobicContact CD1-CG 3.61Å; I666-F738 HydrophobicContact CD1-CB 3.92Å; I666-F738 HydrophobicContact CD1-CD2 3.75Å; I666-F738 HydrophobicContact CD1-CE2 4.49Å; I666-F738 HydrophobicContact CD1-CG 3.87Å; I666-F738 HydrophobicContact CG1-CB 4.1Å; I666-F738 HydrophobicContact CG1-CG 4.2Å; I666-D739 PolarHBondContact N-O 3.49Å; I666-C741 VanDerWaalsContact C-SG 3.51Å; I666-C741 PolarHBondContact N-SG 3.19Å; I666-C741 VanDerWaalsContact N-SG 3.43Å; I666-C741 PolarHBondContact O-N 3.45Å
667	E	89.3	Confident	87.5	Confident	65 Å²	65	49.7 Å²	49.7	30%	0.304	28%	0.281	S	S	.	.			trans	-65	133	179.9	-66.6	-173	-133.6	0	0	111.2	A669 T670 I671 L747 R749	E667-A669 PolarHBondContact O-N 3.31Å; E667-T670 PolarHBondContact O-N 3.22Å; E667-T670 PolarHBondContact O-OG1 3.26Å; E667-I671 PolarHBondContact O-N 3.26Å; E667-L747 VanDerWaalsContact CD-CD1 3.47Å; E667-L747 HydrophobicContact CG-CD1 3.37Å; E667-L747 WeakPolarHBondContact OE1-CD1 3.37Å; E667-R749 IonicContact OE1-CZ 2.72Å; E667-R749 IonicContact OE1-NE 2.61Å; E667-R749 PolarHBondContact OE1-NE 3.46Å; E667-R749 IonicContact OE1-NH2 3.66Å; E667-R749 PolarHBondContact OE1-NH2 3.21Å; E667-R749 IonicContact OE2-NH2 3.23Å; E667-R749 PolarHBondContact OE2-NH2 2.87Å
668	N	86.6	Confident	87.2	Confident	108 Å²	108	49.5 Å²	49.5	58%	0.578	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.4	-176.6	-164.8	104.1	0	0	0	113.4	V740	N668-V740 HydrophobicContact CB-CG1 3.72Å; N668-V740 WeakPolarHBondContact OD1-CG1 3.33Å
669	A	85.1	Confident	87	Confident	95 Å²	95	49.1 Å²	49.1	79%	0.785	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.4	177.2	0	0	0	0	0	113.5	E667	E667-A669 PolarHBondContact O-N 3.31Å
670	T	85.4	Confident	86.9	Confident	67 Å²	67	50.6 Å²	50.6	41%	0.411	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-0.2	-176.6	56.5	0	0	0	0	113.2	E667 Q672 T673 A674	E667-T670 PolarHBondContact O-N 3.22Å; E667-T670 PolarHBondContact O-OG1 3.26Å; T670-Q672 PolarHBondContact O-N 2.74Å; T670-T673 CarbonylContact O-C 3.56Å; T670-T673 PolarHBondContact O-N 3.49Å; T670-T673 VanDerWaalsContact O-N 3.08Å; T670-T673 PolarHBondContact O-OG1 3.03Å; T670-A674 WeakPolarHBondContact O-CA 3.41Å; T670-A674 WeakPolarHBondContact O-CB 3.01Å; T670-A674 PolarHBondContact O-N 3.2Å
671	I	84.2	Confident	86.8	Confident	11 Å²	11	52 Å²	52	6%	0.056	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-42.7	-169.1	-168.9	166.2	0	0	0	114.2	I666 E667 N715 G722 V740	I666-I671 HydrophobicContact CB-CG1 4.49Å; I666-I671 HydrophobicContact CG2-CB 4.14Å; I666-I671 HydrophobicContact CG2-CG1 4.28Å; E667-I671 PolarHBondContact O-N 3.26Å; I671-N715 PolarHBondContact O-ND2 2.93Å; I671-G722 WeakPolarHBondContact O-CA 3.43Å; I671-V740 HydrophobicContact CD1-CG2 3.69Å
672	Q	80.3	Confident	86.8	Confident	100 Å²	100	56.1 Å²	56.1	47%	0.467	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-36	176.6	-77.2	167.2	-49.3	0	0	112.7	T670 N715 E718	T670-Q672 PolarHBondContact O-N 2.74Å; Q672-N715 PolarHBondContact O-ND2 3.36Å; Q672-E718 WeakPolarHBondContact O-CA 3.41Å
673	T	79.9	Confident	86.8	Confident	89 Å²	89	51 Å²	51	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.6	-177.5	52.3	0	0	0	0	113.8	T670 V675	T670-T673 CarbonylContact O-C 3.56Å; T670-T673 PolarHBondContact O-N 3.49Å; T670-T673 VanDerWaalsContact O-N 3.08Å; T670-T673 PolarHBondContact O-OG1 3.03Å; T673-V675 PolarHBondContact O-N 3.22Å
674	A	81.4	Confident	86.8	Confident	16 Å²	16	54.7 Å²	54.7	13%	0.132	29%	0.293	C	S	.	.			trans	-66.8	105.2	-172.4	0	0	0	0	0	112.7	I666 T670 Y676 N715 P723	I666-A674 HydrophobicContact CD1-CB 4.24Å; I666-A674 HydrophobicContact CG2-CB 3.94Å; T670-A674 WeakPolarHBondContact O-CA 3.41Å; T670-A674 WeakPolarHBondContact O-CB 3.01Å; T670-A674 PolarHBondContact O-N 3.2Å; A674-Y676 VanDerWaalsContact C-N 3.29Å; A674-Y676 PolarHBondContact O-N 3.33Å; A674-N715 PolarHBondContact N-ND2 3.45Å; A674-N715 VanDerWaalsContact O-CB 3.27Å; A674-N715 WeakPolarHBondContact O-CB 3.43Å; A674-N715 PolarHBondContact O-ND2 2.9Å; A674-P723 HydrophobicContact CB-CG 4.45Å
675	V	79.1	Confident	86.7	Confident	91 Å²	91	55.4 Å²	55.4	55%	0.552	30%	0.3	S	S	*	.			trans	-77.8	78	173	-173.6	0	0	0	0	110	R544 T673 T677	R544-V675 PolarHBondContact NH2-O 3.11Å; T673-V675 PolarHBondContact O-N 3.22Å; V675-T677 HydrophobicContact CG1-CG2 4.46Å
676	Y	85	Confident	86.6	Confident	10 Å²	10	56.8 Å²	56.8	4%	0.039	32%	0.315	C	S	.	.			trans	-81.3	117.9	170.5	177.8	-94.2	0	0	0	110.7	D657 V660 E661 A674 G678 F679 R680 C713 P723 F738	D657-Y676 HydrophobicContact CB-CE2 4.45Å; D657-Y676 WeakPolarHBondContact OD1-CA 3.43Å; D657-Y676 WeakPolarHBondContact OD1-CD2 3.4Å; V660-Y676 HydrophobicContact CG1-CD2 4.02Å; V660-Y676 HydrophobicContact CG1-CE2 4.35Å; E661-Y676 HydrophobicContact CG-CE2 4.48Å; E661-Y676 WeakPolarHBondContact OE1-CE2 3.39Å; E661-Y676 VanDerWaalsContact OE1-CZ 3.3Å; E661-Y676 PolarHBondContact OE1-OH 2.84Å; A674-Y676 VanDerWaalsContact C-N 3.29Å; A674-Y676 PolarHBondContact O-N 3.33Å; Y676-G678 VanDerWaalsContact CE1-C 3.47Å; Y676-G678 WeakPolarHBondContact CE1-O 3.26Å; Y676-G678 VanDerWaalsContact CZ-C 3.48Å; Y676-G678 VanDerWaalsContact CZ-CA 3.42Å; Y676-G678 WeakPolarHBondContact OH-CA 3.23Å; Y676-F679 PolarHBondContact OH-N 2.55Å; Y676-F679 VanDerWaalsContact OH-N 3.09Å; Y676-R680 HydrophobicContact CE1-CB 4.36Å; Y676-R680 WeakPolarHBondContact OH-CB 3.07Å; Y676-R680 PolarHBondContact OH-N 3.04Å; Y676-C713 HydrophobicContact CD1-CB 4.46Å; Y676-C713 WeakPolarHBondContact CD1-O 3.44Å; Y676-C713 HydrophobicContact CE1-CB 4.31Å; Y676-P723 HydrophobicContact CD1-CB 4.24Å; Y676-P723 HydrophobicContact CG-CB 4.23Å; Y676-P723 HydrophobicContact CG-CG 4.13Å; Y676-F738 HydrophobicContact CD1-CE2 4.24Å; Y676-F738 AromaticContact CD2-CE2 3.89Å; Y676-F738 HydrophobicContact CD2-CE2 3.89Å; Y676-F738 AromaticContact CD2-CZ 3.79Å; Y676-F738 HydrophobicContact CD2-CZ 3.79Å; Y676-F738 HydrophobicContact CE1-CE2 4.28Å; Y676-F738 HydrophobicContact CE1-CZ 4.34Å; Y676-F738 HydrophobicContact CE2-CE1 4.43Å; Y676-F738 AromaticContact CE2-CE2 3.92Å; Y676-F738 HydrophobicContact CE2-CE2 3.92Å; Y676-F738 AromaticContact CE2-CZ 3.41Å; Y676-F738 HydrophobicContact CE2-CZ 3.41Å; Y676-F738 VanDerWaalsContact CE2-CZ 3.41Å; Y676-F738 HydrophobicContact CG-CE2 4.05Å; Y676-F738 HydrophobicContact CG-CZ 4.38Å; Y676-F738 AromaticContact CZ-CZ 3.72Å
677	T	79.3	Confident	86.5	Confident	26 Å²	26	59.1 Å²	59.1	16%	0.16	33%	0.325	C	S	.	.			trans	-108	-9.8	-178.9	27.5	0	0	0	0	113.4	D657 V675 R714	D657-T677 PolarHBondContact OD1-N 3.25Å; D657-T677 WeakPolarHBondContact OD2-CB 3.13Å; D657-T677 PolarHBondContact OD2-OG1 3.33Å; V675-T677 HydrophobicContact CG1-CG2 4.46Å; T677-R714 PolarHBondContact O-NH1 2.04Å; T677-R714 PolarHBondContact O-NH2 3.08Å
678	G	84.5	Confident	86.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	-64.9	-171.5	-177.7	0	0	0	0	0	116.5	D657 Y676 R714	D657-G678 VanDerWaalsContact CG-N 3.26Å; D657-G678 PolarHBondContact OD1-N 3.26Å; D657-G678 PolarHBondContact OD2-N 3.22Å; Y676-G678 VanDerWaalsContact CE1-C 3.47Å; Y676-G678 WeakPolarHBondContact CE1-O 3.26Å; Y676-G678 VanDerWaalsContact CZ-C 3.48Å; Y676-G678 VanDerWaalsContact CZ-CA 3.42Å; Y676-G678 WeakPolarHBondContact OH-CA 3.23Å; G678-R714 PolarHBondContact O-NH1 3.36Å
679	F	86.4	Confident	86.6	Confident	34 Å²	34	55.1 Å²	55.1	15%	0.149	31%	0.31	C	S	.	.			trans	-114.5	13.6	-160.3	-58.8	-93.4	0	0	0	114.3	I560 I631 P650 L653 Y676 N681 Y712	I560-F679 HydrophobicContact CD1-CB 3.96Å; I560-F679 HydrophobicContact CD1-CD1 3.87Å; I560-F679 HydrophobicContact CD1-CD2 3.18Å; I560-F679 HydrophobicContact CD1-CE1 4.22Å; I560-F679 HydrophobicContact CD1-CE2 3.6Å; I560-F679 HydrophobicContact CD1-CG 3.36Å; I560-F679 HydrophobicContact CD1-CZ 4.11Å; I631-F679 HydrophobicContact CG2-CE1 3.98Å; I631-F679 HydrophobicContact CG2-CZ 4.18Å; P650-F679 HydrophobicContact CB-CZ 4.35Å; P650-F679 HydrophobicContact CG-CE1 3.84Å; P650-F679 HydrophobicContact CG-CE2 4.11Å; P650-F679 HydrophobicContact CG-CZ 3.51Å; L653-F679 HydrophobicContact CD2-CD2 3.72Å; L653-F679 HydrophobicContact CD2-CE2 4.11Å; Y676-F679 PolarHBondContact OH-N 2.55Å; Y676-F679 VanDerWaalsContact OH-N 3.09Å; F679-N681 PolarHBondContact O-N 2.68Å; F679-Y712 HydrophobicContact CB-CD1 4.14Å; F679-Y712 HydrophobicContact CB-CE1 4.09Å; F679-Y712 HydrophobicContact CD1-CD1 4.47Å; F679-Y712 HydrophobicContact CD1-CD2 4.21Å; F679-Y712 HydrophobicContact CD1-CE1 4.1Å; F679-Y712 AromaticContact CD1-CE2 3.81Å; F679-Y712 HydrophobicContact CD1-CE2 3.81Å; F679-Y712 AromaticContact CD1-CZ 3.76Å; F679-Y712 HydrophobicContact CE1-CE2 4.27Å; F679-Y712 WeakPolarHBondContact O-CD1 3.47Å
680	R	90.3	Very high	86.5	Confident	44 Å²	44	52 Å²	52	17%	0.166	28%	0.279	C	S	.	.			trans	-62.5	127.7	171.3	-179.5	178	-68.7	-140.2	-5.7	109.9	E661 N664 Y676 Y712 C713 C737 F738	E661-R680 WeakPolarHBondContact OE1-CB 3.49Å; E661-R680 IonicContact OE1-CZ 2.8Å; E661-R680 IonicContact OE1-NE 2.71Å; E661-R680 PolarHBondContact OE1-NE 2.89Å; E661-R680 IonicContact OE2-CZ 3.93Å; E661-R680 VanDerWaalsContact OE2-CZ 3.29Å; E661-R680 IonicContact OE2-NE 2.71Å; E661-R680 PolarHBondContact OE2-NE 3.44Å; E661-R680 VanDerWaalsContact OE2-NE 3.07Å; E661-R680 IonicContact OE2-NH2 3.27Å; E661-R680 PolarHBondContact OE2-NH2 2.8Å; N664-R680 VanDerWaalsContact OD1-CZ 3.28Å; N664-R680 PolarHBondContact OD1-NH1 3.04Å; N664-R680 PolarHBondContact OD1-NH2 2.92Å; Y676-R680 HydrophobicContact CE1-CB 4.36Å; Y676-R680 WeakPolarHBondContact OH-CB 3.07Å; Y676-R680 PolarHBondContact OH-N 3.04Å; R680-Y712 CarbonylContact O-C 3.6Å; R680-Y712 VanDerWaalsContact O-CA 3.3Å; R680-Y712 WeakPolarHBondContact O-CA 3.03Å; R680-C713 PolarHBondContact O-N 2.96Å; R680-C713 PolarHBondContact O-SG 2.72Å; R680-C737 WeakPolarHBondContact CD-O 3.42Å; R680-C737 HydrophobicContact CG-CB 4.49Å; R680-C737 PolarHBondContact NH1-O 2.88Å; R680-F738 HydrophobicContact CB-CZ 4.46Å; R680-F738 VanDerWaalsContact NE-CE1 3.27Å
681	N	90.8	Very high	86.2	Confident	59 Å²	59	52.4 Å²	52.4	32%	0.316	27%	0.273	S	S	.	.			trans	-127.3	32.1	177.5	66.7	-0.1	0	0	0	112.8	F679 C689 N711 Y712	F679-N681 PolarHBondContact O-N 2.68Å; N681-C689 HydrophobicContact CB-CB 4.42Å; N681-C689 WeakPolarHBondContact O-CB 3.12Å; N681-C689 PolarHBondContact O-N 3.25Å; N681-C689 PolarHBondContact O-SG 3.01Å; N681-C689 VanDerWaalsContact O-SG 3.35Å; N681-N711 WeakPolarHBondContact CB-O 3.46Å; N681-N711 VanDerWaalsContact CB-OD1 3.26Å; N681-N711 WeakPolarHBondContact CB-OD1 3.36Å; N681-N711 PolarHBondContact ND2-ND2 2.98Å; N681-N711 PolarHBondContact ND2-OD1 3.49Å; N681-Y712 HydrophobicContact CB-CD1 4.16Å
682	R	92.3	Very high	85.7	Confident	142 Å²	142	52.8 Å²	52.8	54%	0.536	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-132.2	145	173	-68.5	-177.7	176.7	-85.3	-2.2	109.9	G686 K687 C737	R682-G686 PolarHBondContact NH1-O 2.84Å; R682-K687 WeakPolarHBondContact CA-O 3.46Å; R682-C737 WeakPolarHBondContact O-CB 3.03Å
683	T	92.7	Very high	85.2	Confident	6 Å²	6	52 Å²	52	4%	0.037	27%	0.273	C	S	.	.			trans	-74.3	169.5	173.2	70.2	0	0	0	0	110.7	T685 G686 K687 C725 V727 E735	T683-T685 VanDerWaalsContact C-N 3.28Å; T683-T685 PolarHBondContact O-N 3.06Å; T683-T685 PolarHBondContact OG1-OG1 3.18Å; T683-G686 WeakPolarHBondContact O-CA 3.23Å; T683-G686 PolarHBondContact O-N 3.26Å; T683-K687 HydrophobicContact CG2-CB 4.3Å; T683-K687 PolarHBondContact N-O 2.61Å; T683-K687 WeakPolarHBondContact OG1-CB 3.19Å; T683-K687 PolarHBondContact OG1-N 3.26Å; T683-K687 VanDerWaalsContact OG1-N 3.07Å; T683-K687 PolarHBondContact OG1-O 3.14Å; T683-C725 VanDerWaalsContact CG2-SG 3.51Å; T683-V727 HydrophobicContact CG2-CG2 3.63Å; T683-E735 VanDerWaalsContact CB-OE1 3.26Å; T683-E735 WeakPolarHBondContact CB-OE1 3.42Å; T683-E735 WeakPolarHBondContact CB-OE2 3.37Å; T683-E735 HydrophobicContact CG2-CB 3.71Å; T683-E735 HydrophobicContact CG2-CG 4.17Å; T683-E735 WeakPolarHBondContact CG2-OE2 3.33Å; T683-E735 PolarHBondContact OG1-OE1 3.31Å; T683-E735 PolarHBondContact OG1-OE2 3.34Å
684	K	92.6	Very high	84.6	Confident	92 Å²	92	52 Å²	52	40%	0.4	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25	178.9	70.6	-171	-162.9	161.8	0	113.9	G686 A736 F738 D739	K684-G686 PolarHBondContact O-N 3.13Å; K684-A736 HydrophobicContact CD-CB 4.2Å; K684-A736 WeakPolarHBondContact CG-O 3.48Å; K684-A736 PolarHBondContact N-O 3.42Å; K684-F738 VanDerWaalsContact CD-O 3.3Å; K684-F738 WeakPolarHBondContact CD-O 3.29Å; K684-D739 WeakPolarHBondContact CD-OD1 3.38Å; K684-D739 WeakPolarHBondContact CE-OD1 3.23Å; K684-D739 IonicContact NZ-OD1 2.99Å; K684-D739 PolarHBondContact NZ-OD1 2.86Å
685	T	90.1	Very high	83.6	Confident	97 Å²	97	53 Å²	53	60%	0.595	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	4.2	167.3	65.3	0	0	0	0	113.6	T683 K687 E735	T683-T685 VanDerWaalsContact C-N 3.28Å; T683-T685 PolarHBondContact O-N 3.06Å; T683-T685 PolarHBondContact OG1-OG1 3.18Å; T685-K687 VanDerWaalsContact C-N 3.35Å; T685-E735 VanDerWaalsContact CB-OE1 3.3Å; T685-E735 WeakPolarHBondContact CB-OE1 3.45Å; T685-E735 VanDerWaalsContact CG2-OE1 3.28Å; T685-E735 WeakPolarHBondContact CG2-OE1 3.23Å; T685-E735 PolarHBondContact N-OE1 2.97Å; T685-E735 PolarHBondContact OG1-OE1 2.97Å; T685-E735 PolarHBondContact OG1-OE2 2.86Å; T685-E735 VanDerWaalsContact OG1-OE2 3.12Å
686	G	90.9	Very high	82.1	Confident	35 Å²	35	55.8 Å²	55.8	36%	0.361	28%	0.284	S	S	.	.			trans	84.2	-0.1	175.8	0	0	0	0	0	115.2	R682 T683 K684	R682-G686 PolarHBondContact NH1-O 2.84Å; T683-G686 WeakPolarHBondContact O-CA 3.23Å; T683-G686 PolarHBondContact O-N 3.26Å; K684-G686 PolarHBondContact O-N 3.13Å
687	K	90.3	Very high	80.5	Confident	55 Å²	55	57.6 Å²	57.6	24%	0.239	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59.9	139.6	175.7	-55.2	-173	-165.5	-172.2	0	109.2	R682 T683 T685 V727 D729 E733 E735	R682-K687 WeakPolarHBondContact CA-O 3.46Å; T683-K687 HydrophobicContact CG2-CB 4.3Å; T683-K687 PolarHBondContact N-O 2.61Å; T683-K687 WeakPolarHBondContact OG1-CB 3.19Å; T683-K687 PolarHBondContact OG1-N 3.26Å; T683-K687 VanDerWaalsContact OG1-N 3.07Å; T683-K687 PolarHBondContact OG1-O 3.14Å; T685-K687 VanDerWaalsContact C-N 3.35Å; K687-V727 HydrophobicContact CB-CG1 3.78Å; K687-V727 HydrophobicContact CB-CG2 4.3Å; K687-V727 HydrophobicContact CD-CB 4.44Å; K687-V727 HydrophobicContact CD-CG1 3.62Å; K687-V727 HydrophobicContact CD-CG2 4.38Å; K687-V727 HydrophobicContact CG-CG1 4.31Å; K687-D729 IonicContact NZ-OD2 2.6Å; K687-D729 PolarHBondContact NZ-OD2 2.91Å; K687-E733 IonicContact NZ-OE2 4Å; K687-E733 PolarHBondContact NZ-OE2 3.01Å; K687-E735 WeakPolarHBondContact CD-OE2 3.4Å
688	P	89.8	Confident	79	Confident	80 Å²	80	64.7 Å²	64.7	52%	0.519	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-73.7	136.3	178.5	30.3	-33.9	0	0	0	110.9
689	C	88.5	Confident	77.5	Confident	8 Å²	8	69 Å²	69	5%	0.054	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-69.6	139.1	175.1	-64.4	0	0	0	0	111.7	N681 N711 C713 C725 Y726	N681-C689 HydrophobicContact CB-CB 4.42Å; N681-C689 WeakPolarHBondContact O-CB 3.12Å; N681-C689 PolarHBondContact O-N 3.25Å; N681-C689 PolarHBondContact O-SG 3.01Å; N681-C689 VanDerWaalsContact O-SG 3.35Å; C689-N711 HydrophobicContact CB-CB 4.23Å; C689-N711 WeakPolarHBondContact CB-O 3.4Å; C689-N711 WeakPolarHBondContact O-CB 3.49Å; C689-N711 PolarHBondContact O-ND2 2.89Å; C689-C713 VanDerWaalsContact SG-SG 3.66Å; C689-C725 WeakPolarHBondContact CA-SG 3.25Å; C689-C725 HydrophobicContact CB-CB 3.57Å; C689-C725 WeakPolarHBondContact CB-SG 3.15Å; C689-C725 WeakPolarHBondContact SG-CB 3.3Å; C689-C725 CovalentContact SG-SG 2.02Å; C689-C725 PolarHBondContact SG-SG 3.38Å; C689-Y726 CarbonylContact C-O 3.56Å; C689-Y726 WeakPolarHBondContact CA-O 3.42Å
690	K	83.5	Confident	75.8	Confident	29 Å²	29	76.9 Å²	76.9	13%	0.126	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-68	157.4	162.4	-58.3	-149.9	-174.5	-151.9	0	110.8	R695 N711 Y726 V727 F728	K690-R695 HydrophobicContact CD-CG 4.32Å; K690-N711 VanDerWaalsContact C-CB 3.46Å; K690-N711 VanDerWaalsContact O-CB 3.25Å; K690-N711 WeakPolarHBondContact O-CB 3.13Å; K690-Y726 WeakPolarHBondContact CG-O 3.27Å; K690-Y726 PolarHBondContact N-O 3.09Å; K690-V727 WeakPolarHBondContact CE-O 3.24Å; K690-F728 HydrophobicContact CB-CE2 4.43Å; K690-F728 HydrophobicContact CD-CD2 3.74Å; K690-F728 HydrophobicContact CD-CE1 4.4Å; K690-F728 HydrophobicContact CD-CE2 3.5Å; K690-F728 VanDerWaalsContact CD-CE2 3.5Å; K690-F728 HydrophobicContact CD-CG 4.27Å; K690-F728 HydrophobicContact CD-CZ 3.86Å; K690-F728 HydrophobicContact CG-CD2 3.58Å; K690-F728 HydrophobicContact CG-CE2 3.55Å; K690-F728 HydrophobicContact CG-CG 4.43Å; K690-F728 HydrophobicContact CG-CZ 4.41Å; K690-F728 VanDerWaalsContact NZ-CZ 3.26Å
691	R	77.9	Confident	74.1	Confident	76 Å²	76	76.2 Å²	76.2	29%	0.287	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-66.3	152.4	161.9	-62.6	160.6	44.4	142.4	-20.5	111.5	D693 E694 L709 H710 N711	R691-D693 VanDerWaalsContact C-N 3.3Å; R691-D693 WeakPolarHBondContact CB-OD1 3.45Å; R691-D693 IonicContact CZ-OD1 3.8Å; R691-D693 IonicContact CZ-OD2 2.62Å; R691-D693 IonicContact NE-OD1 2.84Å; R691-D693 PolarHBondContact NE-OD1 3.12Å; R691-D693 IonicContact NE-OD2 2.74Å; R691-D693 IonicContact NH2-OD1 2.65Å; R691-D693 PolarHBondContact NH2-OD1 3.2Å; R691-D693 IonicContact NH2-OD2 2.73Å; R691-D693 PolarHBondContact NH2-OD2 3.24Å; R691-D693 PolarHBondContact O-N 2.81Å; R691-E694 HydrophobicContact CB-CB 4.49Å; R691-E694 HydrophobicContact CB-CG 4.05Å; R691-E694 WeakPolarHBondContact CD-OE1 3.48Å; R691-E694 PolarHBondContact O-N 3.15Å; R691-L709 WeakPolarHBondContact CD-O 3.49Å; R691-L709 WeakPolarHBondContact CG-O 3.32Å; R691-L709 VanDerWaalsContact CZ-O 3.31Å; R691-L709 PolarHBondContact NE-O 3.2Å; R691-L709 PolarHBondContact NH1-O 3.02Å; R691-L709 VanDerWaalsContact NH1-O 3.16Å; R691-H710 WeakPolarHBondContact CA-O 3.45Å; R691-H710 WeakPolarHBondContact CB-O 3.4Å; R691-N711 HydrophobicContact CB-CB 4.49Å; R691-N711 HydrophobicContact CG-CB 4.02Å
692	W	74.9	Confident	72.2	Confident	19 Å²	19	75.3 Å²	75.3	7%	0.072	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-70.7	-26.3	179.9	-65	93.5	0	0	0	113	T706 H710 Y712 R714 W724 C725 Y726	W692-T706 HydrophobicContact CB-CG2 4Å; W692-T706 HydrophobicContact CD2-CG2 3.49Å; W692-T706 VanDerWaalsContact CD2-CG2 3.49Å; W692-T706 HydrophobicContact CE3-CG2 3.66Å; W692-T706 HydrophobicContact CG-CG2 3.6Å; W692-T706 HydrophobicContact CZ3-CG2 4.36Å; W692-H710 AromaticContact CD1-CE1 3.4Å; W692-H710 AromaticContact CD1-ND1 3.35Å; W692-H710 VanDerWaalsContact CD1-ND1 3.35Å; W692-H710 PolarHBondContact N-O 2.98Å; W692-H710 AromaticContact NE1-CE1 3.44Å; W692-H710 PolarHBondContact NE1-CE1 2.62Å; W692-H710 AromaticContact NE1-ND1 3.65Å; W692-Y712 PolarHBondContact NE1-O 2.93Å; W692-R714 HydrophobicContact CH2-CB 4.16Å; W692-R714 HydrophobicContact CZ2-CB 3.74Å; W692-R714 HydrophobicContact CZ2-CG 4.01Å; W692-W724 HydrophobicContact CH2-CD2 4.14Å; W692-W724 AromaticContact CH2-CE3 3.77Å; W692-W724 HydrophobicContact CH2-CE3 3.77Å; W692-W724 AromaticContact CH2-CH2 3.83Å; W692-W724 HydrophobicContact CH2-CH2 3.83Å; W692-W724 HydrophobicContact CH2-CZ2 4.21Å; W692-W724 AromaticContact CH2-CZ3 3.57Å; W692-W724 HydrophobicContact CH2-CZ3 3.57Å; W692-W724 WeakPolarHBondContact CZ2-O 3.2Å; W692-W724 HydrophobicContact CZ3-CE3 4.17Å; W692-W724 AromaticContact CZ3-CH2 3.44Å; W692-W724 HydrophobicContact CZ3-CH2 3.44Å; W692-W724 VanDerWaalsContact CZ3-CH2 3.44Å; W692-W724 HydrophobicContact CZ3-CZ2 4.08Å; W692-W724 AromaticContact CZ3-CZ3 3.47Å; W692-W724 HydrophobicContact CZ3-CZ3 3.47Å; W692-W724 VanDerWaalsContact CZ3-CZ3 3.47Å; W692-C725 HydrophobicContact CZ2-CB 4.42Å; W692-Y726 HydrophobicContact CE3-CD2 4.09Å; W692-Y726 AromaticContact CE3-CE2 3.92Å; W692-Y726 HydrophobicContact CE3-CE2 3.92Å; W692-Y726 HydrophobicContact CZ3-CD2 4.17Å; W692-Y726 AromaticContact CZ3-CE2 3.91Å; W692-Y726 HydrophobicContact CZ3-CE2 3.91Å
693	D	69	Low	70	Confident	84 Å²	84	74.7 Å²	74.7	45%	0.449	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-85	-12	179	70	-29.5	0	0	0	114.5	R691 R695	R691-D693 VanDerWaalsContact C-N 3.3Å; R691-D693 WeakPolarHBondContact CB-OD1 3.45Å; R691-D693 IonicContact CZ-OD1 3.8Å; R691-D693 IonicContact CZ-OD2 2.62Å; R691-D693 IonicContact NE-OD1 2.84Å; R691-D693 PolarHBondContact NE-OD1 3.12Å; R691-D693 IonicContact NE-OD2 2.74Å; R691-D693 IonicContact NH2-OD1 2.65Å; R691-D693 PolarHBondContact NH2-OD1 3.2Å; R691-D693 IonicContact NH2-OD2 2.73Å; R691-D693 PolarHBondContact NH2-OD2 3.24Å; R691-D693 PolarHBondContact O-N 2.81Å; D693-R695 PolarHBondContact O-N 3.11Å
694	E	66.6	Low	67.7	Low	90 Å²	90	78.6 Å²	78.6	42%	0.421	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-70.9	-9.9	-179.6	-88.4	175.5	-142	0	0	114.7	R691 F728	R691-E694 HydrophobicContact CB-CB 4.49Å; R691-E694 HydrophobicContact CB-CG 4.05Å; R691-E694 WeakPolarHBondContact CD-OE1 3.48Å; R691-E694 PolarHBondContact O-N 3.15Å; E694-F728 VanDerWaalsContact OE2-CE2 3.26Å; E694-F728 WeakPolarHBondContact OE2-CE2 3.16Å; E694-F728 VanDerWaalsContact OE2-CZ 3.23Å; E694-F728 WeakPolarHBondContact OE2-CZ 3.23Å
695	R	60.2	Low	65.7	Low	36 Å²	36	77.3 Å²	77.3	14%	0.136	39%	0.393	C	S	.	.	S	Bend	trans	-110.2	122.9	-174.5	-69.7	-163.3	173.1	-164.9	5.4	112	K690 D693 L697 Y726 V727 E733	K690-R695 HydrophobicContact CD-CG 4.32Å; D693-R695 PolarHBondContact O-N 3.11Å; R695-L697 HydrophobicContact CB-CD1 3.69Å; R695-L697 HydrophobicContact CB-CG 3.89Å; R695-L697 PolarHBondContact O-N 2.94Å; R695-Y726 HydrophobicContact CG-CD2 4.5Å; R695-Y726 VanDerWaalsContact CZ-CG 3.43Å; R695-V727 PolarHBondContact NH2-O 3.22Å; R695-E733 PolarHBondContact NH2-O 3.32Å
696	V	49.5	Very low	64	Low	150 Å²	150	73.1 Å²	73.1	91%	0.909	37%	0.367	S	S	*	.			trans	-68.9	95.6	162.2	-176.3	0	0	0	0	107.7
697	L	50	Low	62	Low	47 Å²	47	72.1 Å²	72.1	25%	0.246	36%	0.356	C	S	.	.			trans	-125.2	134.1	173.7	-68.6	162.6	0	0	0	106.7	R695 Y699 Y726	R695-L697 HydrophobicContact CB-CD1 3.69Å; R695-L697 HydrophobicContact CB-CG 3.89Å; R695-L697 PolarHBondContact O-N 2.94Å; L697-Y699 HydrophobicContact CB-CD1 4.22Å; L697-Y699 HydrophobicContact CB-CE1 3.98Å; L697-Y699 HydrophobicContact CB-CE2 4.32Å; L697-Y699 HydrophobicContact CD1-CE2 4.06Å; L697-Y699 HydrophobicContact CD2-CE1 3.98Å; L697-Y699 HydrophobicContact CG-CE1 4.37Å; L697-Y699 PolarHBondContact O-N 3.11Å; L697-Y699 VanDerWaalsContact O-N 3.13Å; L697-Y726 HydrophobicContact CD1-CE2 3.84Å; L697-Y726 WeakPolarHBondContact CD1-OH 3.22Å
698	D	48.5	Very low	60	Low	175 Å²	175	72.2 Å²	72.2	94%	0.936	36%	0.363	S	S	*	.	S	Bend	trans	-70.8	-7.2	-174.8	-65.9	-55	0	0	0	113.8
699	Y	51.9	Low	58.7	Low	91 Å²	91	73.7 Å²	73.7	36%	0.357	37%	0.366	S	S	.	.	S	Bend	trans	-97.5	130.3	171.7	51.5	-89.1	0	0	0	112	L697 V701 Y726 R734	L697-Y699 HydrophobicContact CB-CD1 4.22Å; L697-Y699 HydrophobicContact CB-CE1 3.98Å; L697-Y699 HydrophobicContact CB-CE2 4.32Å; L697-Y699 HydrophobicContact CD1-CE2 4.06Å; L697-Y699 HydrophobicContact CD2-CE1 3.98Å; L697-Y699 HydrophobicContact CG-CE1 4.37Å; L697-Y699 PolarHBondContact O-N 3.11Å; L697-Y699 VanDerWaalsContact O-N 3.13Å; Y699-V701 HydrophobicContact CD2-CG2 3.99Å; Y699-V701 HydrophobicContact CE2-CG2 4.09Å; Y699-V701 PolarHBondContact O-N 2.93Å; Y699-Y726 PolarHBondContact OH-OH 2.97Å; Y699-R734 PolarHBondContact OH-NH2 2.92Å
700	K	50.8	Low	57.9	Low	200 Å²	200	73.9 Å²	73.9	87%	0.87	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-73.6	118.1	165.2	-64.3	177.5	-179	176.9	0	108.7
701	V	55	Low	58	Low	29 Å²	29	74.2 Å²	74.2	18%	0.176	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-75.5	141.3	166	-168.6	0	0	0	0	108.5	Y699 W703 T706 Y716	Y699-V701 HydrophobicContact CD2-CG2 3.99Å; Y699-V701 HydrophobicContact CE2-CG2 4.09Å; Y699-V701 PolarHBondContact O-N 2.93Å; V701-W703 PolarHBondContact O-N 3.12Å; V701-T706 HydrophobicContact CB-CG2 4.11Å; V701-T706 HydrophobicContact CG1-CG2 3.41Å; V701-T706 VanDerWaalsContact CG1-CG2 3.41Å; V701-Y716 HydrophobicContact CG1-CD1 3.63Å; V701-Y716 HydrophobicContact CG1-CD2 4.18Å; V701-Y716 HydrophobicContact CG1-CE1 3.91Å; V701-Y716 HydrophobicContact CG1-CE2 4.45Å; V701-Y716 HydrophobicContact CG1-CG 3.77Å; V701-Y716 HydrophobicContact CG2-CD1 4.4Å; V701-Y716 HydrophobicContact CG2-CE1 4.36Å
702	P	51.7	Low	58.4	Low	41 Å²	41	73 Å²	73	27%	0.266	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-55.1	124.9	177.6	-28.7	37	0	0	0	112.8	E704 I705 T706 Y716	P702-E704 VanDerWaalsContact C-OE2 3.23Å; P702-E704 WeakPolarHBondContact CA-OE2 3.41Å; P702-E704 WeakPolarHBondContact CB-OE2 3.46Å; P702-E704 PolarHBondContact O-N 2.95Å; P702-I705 HydrophobicContact CB-CD1 4.21Å; P702-I705 HydrophobicContact CB-CG1 4.35Å; P702-I705 HydrophobicContact CG-CD1 4.48Å; P702-I705 PolarHBondContact O-N 2.68Å; P702-I705 VanDerWaalsContact O-N 3.12Å; P702-T706 PolarHBondContact O-N 3.39Å; P702-T706 PolarHBondContact O-OG1 2.71Å; P702-Y716 HydrophobicContact CG-CD2 4.38Å; P702-Y716 HydrophobicContact CG-CE2 3.7Å
703	W	46	Very low	59.1	Low	129 Å²	129	72.1 Å²	72.1	49%	0.489	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-25.2	-176.2	67.3	-81.2	0	0	0	112	P630 V701 I705 G707	P630-W703 HydrophobicContact CB-CZ3 3.99Å; P630-W703 HydrophobicContact CG-CE3 3.92Å; P630-W703 HydrophobicContact CG-CZ3 3.83Å; V701-W703 PolarHBondContact O-N 3.12Å; W703-I705 PolarHBondContact O-N 2.82Å; W703-G707 VanDerWaalsContact O-CA 3.29Å; W703-G707 WeakPolarHBondContact O-CA 3.46Å; W703-G707 PolarHBondContact O-N 3.12Å
704	E	44.8	Very low	59.9	Low	87 Å²	87	68.4 Å²	68.4	41%	0.407	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-24.3	175.3	-55.2	87	165.4	0	0	113.2	K634 P702	K634-E704 PolarHBondContact NZ-O 3.19Å; P702-E704 VanDerWaalsContact C-OE2 3.23Å; P702-E704 WeakPolarHBondContact CA-OE2 3.41Å; P702-E704 WeakPolarHBondContact CB-OE2 3.46Å; P702-E704 PolarHBondContact O-N 2.95Å
705	I	50.7	Low	60.7	Low	66 Å²	66	65.4 Å²	65.4	34%	0.338	33%	0.328	S	S	.	.	H	α-helix	trans	-108.9	-44.5	-173.9	-58	177	0	0	0	111.6	P702 W703 R714 Y716	P702-I705 HydrophobicContact CB-CD1 4.21Å; P702-I705 HydrophobicContact CB-CG1 4.35Å; P702-I705 HydrophobicContact CG-CD1 4.48Å; P702-I705 PolarHBondContact O-N 2.68Å; P702-I705 VanDerWaalsContact O-N 3.12Å; W703-I705 PolarHBondContact O-N 2.82Å; I705-R714 HydrophobicContact CG2-CB 4.18Å; I705-R714 HydrophobicContact CG2-CG 4.25Å; I705-R714 VanDerWaalsContact O-CD 3.25Å; I705-R714 WeakPolarHBondContact O-CD 3.44Å; I705-R714 PolarHBondContact O-NE 2.93Å; I705-R714 VanDerWaalsContact O-NE 3.08Å; I705-Y716 HydrophobicContact CD1-CD2 4.28Å
706	T	52.6	Low	61.3	Low	9 Å²	9	67.3 Å²	67.3	6%	0.055	34%	0.336	C	S	.	.	H	α-helix	trans	-97.5	-12.2	-176.4	52	0	0	0	0	115.2	W692 V701 P702 H710	W692-T706 HydrophobicContact CB-CG2 4Å; W692-T706 HydrophobicContact CD2-CG2 3.49Å; W692-T706 VanDerWaalsContact CD2-CG2 3.49Å; W692-T706 HydrophobicContact CE3-CG2 3.66Å; W692-T706 HydrophobicContact CG-CG2 3.6Å; W692-T706 HydrophobicContact CZ3-CG2 4.36Å; V701-T706 HydrophobicContact CB-CG2 4.11Å; V701-T706 HydrophobicContact CG1-CG2 3.41Å; V701-T706 VanDerWaalsContact CG1-CG2 3.41Å; P702-T706 PolarHBondContact O-N 3.39Å; P702-T706 PolarHBondContact O-OG1 2.71Å; T706-H710 PolarHBondContact O-CD2 3.22Å; T706-H710 VanDerWaalsContact O-CD2 3.23Å; T706-H710 PolarHBondContact O-CE1 3.3Å; T706-H710 VanDerWaalsContact O-CE1 3.3Å; T706-H710 PolarHBondContact O-NE2 2.87Å; T706-H710 VanDerWaalsContact O-NE2 3.13Å
707	G	49.7	Very low	62.2	Low	13 Å²	13	63 Å²	63	13%	0.134	32%	0.321	C	S	.	.			trans	57.7	-177.8	-177.2	0	0	0	0	0	114.3	W703	W703-G707 VanDerWaalsContact O-CA 3.29Å; W703-G707 WeakPolarHBondContact O-CA 3.46Å; W703-G707 PolarHBondContact O-N 3.12Å
708	P	49.3	Very low	63.1	Low	57 Å²	57	66.5 Å²	66.5	37%	0.37	34%	0.337	S	S	.	.	S	Bend	trans	-84.7	148	160.1	36.4	-32.6	0	0	0	110.1	H710	P708-H710 VanDerWaalsContact C-N 3.3Å; P708-H710 PolarHBondContact O-N 3.08Å
709	L	61.8	Low	64.3	Low	112 Å²	112	61.1 Å²	61.1	59%	0.586	30%	0.304	S	S	*	.	S	Bend	trans	66.2	-5.8	162.8	-44.9	171.9	0	0	0	119.6	R691	R691-L709 WeakPolarHBondContact CD-O 3.49Å; R691-L709 WeakPolarHBondContact CG-O 3.32Å; R691-L709 VanDerWaalsContact CZ-O 3.31Å; R691-L709 PolarHBondContact NE-O 3.2Å; R691-L709 PolarHBondContact NH1-O 3.02Å; R691-L709 VanDerWaalsContact NH1-O 3.16Å
710	H	72.3	Confident	65.5	Low	11 Å²	11	63.2 Å²	63.2	5%	0.051	32%	0.317	C	S	.	.			trans	-96.1	162.5	-173.7	89.9	44.3	0	0	0	115.6	I631 R691 W692 T706 P708 Y712 R714	I631-H710 WeakPolarHBondContact CD1-CD2 3.15Å; I631-H710 WeakPolarHBondContact CD1-NE2 3.32Å; R691-H710 WeakPolarHBondContact CA-O 3.45Å; R691-H710 WeakPolarHBondContact CB-O 3.4Å; W692-H710 AromaticContact CD1-CE1 3.4Å; W692-H710 AromaticContact CD1-ND1 3.35Å; W692-H710 VanDerWaalsContact CD1-ND1 3.35Å; W692-H710 PolarHBondContact N-O 2.98Å; W692-H710 AromaticContact NE1-CE1 3.44Å; W692-H710 PolarHBondContact NE1-CE1 2.62Å; W692-H710 AromaticContact NE1-ND1 3.65Å; T706-H710 PolarHBondContact O-CD2 3.22Å; T706-H710 VanDerWaalsContact O-CD2 3.23Å; T706-H710 PolarHBondContact O-CE1 3.3Å; T706-H710 VanDerWaalsContact O-CE1 3.3Å; T706-H710 PolarHBondContact O-NE2 2.87Å; T706-H710 VanDerWaalsContact O-NE2 3.13Å; P708-H710 VanDerWaalsContact C-N 3.3Å; P708-H710 PolarHBondContact O-N 3.08Å; H710-Y712 HydrophobicContact CB-CD2 3.77Å; H710-Y712 HydrophobicContact CB-CE2 3.69Å; H710-Y712 AromaticContact CD2-CD2 3.53Å; H710-Y712 AromaticContact CE1-CD2 3.91Å; H710-Y712 AromaticContact CG-CD2 3.45Å; H710-Y712 VanDerWaalsContact CG-CD2 3.45Å; H710-Y712 AromaticContact CG-CE2 3.89Å; H710-Y712 AromaticContact ND1-CD2 3.7Å; H710-Y712 PolarHBondContact ND1-N 2.74Å; H710-Y712 VanDerWaalsContact ND1-N 3.15Å; H710-Y712 AromaticContact NE2-CD2 3.8Å; H710-R714 PolarHBondContact NE2-NE 3.27Å; H710-R714 PolarHBondContact NE2-NH2 3.34Å
711	N	84.4	Confident	67	Low	37 Å²	37	57.8 Å²	57.8	20%	0.198	29%	0.294	C	S	.	.			trans	-121.8	17.5	176	74	-24.5	0	0	0	115.9	N681 C689 K690 R691	N681-N711 WeakPolarHBondContact CB-O 3.46Å; N681-N711 VanDerWaalsContact CB-OD1 3.26Å; N681-N711 WeakPolarHBondContact CB-OD1 3.36Å; N681-N711 PolarHBondContact ND2-ND2 2.98Å; N681-N711 PolarHBondContact ND2-OD1 3.49Å; C689-N711 HydrophobicContact CB-CB 4.23Å; C689-N711 WeakPolarHBondContact CB-O 3.4Å; C689-N711 WeakPolarHBondContact O-CB 3.49Å; C689-N711 PolarHBondContact O-ND2 2.89Å; K690-N711 VanDerWaalsContact C-CB 3.46Å; K690-N711 VanDerWaalsContact O-CB 3.25Å; K690-N711 WeakPolarHBondContact O-CB 3.13Å; R691-N711 HydrophobicContact CB-CB 4.49Å; R691-N711 HydrophobicContact CG-CB 4.02Å
712	Y	86.7	Confident	68.6	Low	51 Å²	51	56.4 Å²	56.4	20%	0.2	29%	0.286	C	S	.	.			trans	-66.6	149.9	177.9	-47	-53.4	0	0	0	112.9	F679 R680 N681 W692 H710	F679-Y712 HydrophobicContact CB-CD1 4.14Å; F679-Y712 HydrophobicContact CB-CE1 4.09Å; F679-Y712 HydrophobicContact CD1-CD1 4.47Å; F679-Y712 HydrophobicContact CD1-CD2 4.21Å; F679-Y712 HydrophobicContact CD1-CE1 4.1Å; F679-Y712 AromaticContact CD1-CE2 3.81Å; F679-Y712 HydrophobicContact CD1-CE2 3.81Å; F679-Y712 AromaticContact CD1-CZ 3.76Å; F679-Y712 HydrophobicContact CE1-CE2 4.27Å; F679-Y712 WeakPolarHBondContact O-CD1 3.47Å; R680-Y712 CarbonylContact O-C 3.6Å; R680-Y712 VanDerWaalsContact O-CA 3.3Å; R680-Y712 WeakPolarHBondContact O-CA 3.03Å; N681-Y712 HydrophobicContact CB-CD1 4.16Å; W692-Y712 PolarHBondContact NE1-O 2.93Å; H710-Y712 HydrophobicContact CB-CD2 3.77Å; H710-Y712 HydrophobicContact CB-CE2 3.69Å; H710-Y712 AromaticContact CD2-CD2 3.53Å; H710-Y712 AromaticContact CE1-CD2 3.91Å; H710-Y712 AromaticContact CG-CD2 3.45Å; H710-Y712 VanDerWaalsContact CG-CD2 3.45Å; H710-Y712 AromaticContact CG-CE2 3.89Å; H710-Y712 AromaticContact ND1-CD2 3.7Å; H710-Y712 PolarHBondContact ND1-N 2.74Å; H710-Y712 VanDerWaalsContact ND1-N 3.15Å; H710-Y712 AromaticContact NE2-CD2 3.8Å
713	C	89.2	Confident	70.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.			trans	-65.8	140.2	176.8	-57.7	0	0	0	0	111.7	Y676 R680 C689 P723 W724 C737	Y676-C713 HydrophobicContact CD1-CB 4.46Å; Y676-C713 WeakPolarHBondContact CD1-O 3.44Å; Y676-C713 HydrophobicContact CE1-CB 4.31Å; R680-C713 PolarHBondContact O-N 2.96Å; R680-C713 PolarHBondContact O-SG 2.72Å; C689-C713 VanDerWaalsContact SG-SG 3.66Å; C713-P723 HydrophobicContact CB-CB 4.46Å; C713-W724 WeakPolarHBondContact CA-O 3.37Å; C713-C737 HydrophobicContact CB-CB 3.61Å; C713-C737 WeakPolarHBondContact CB-SG 3.37Å; C713-C737 WeakPolarHBondContact SG-CB 3.37Å; C713-C737 CovalentContact SG-SG 2.02Å; C713-C737 PolarHBondContact SG-SG 3.28Å
714	R	86.6	Confident	72.5	Confident	6 Å²	6	48.3 Å²	48.3	2%	0.023	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-143	149.8	-179.2	-62.1	-66.3	173	-117.6	11.5	109.7	T677 G678 W692 I705 H710 W724	T677-R714 PolarHBondContact O-NH1 2.04Å; T677-R714 PolarHBondContact O-NH2 3.08Å; G678-R714 PolarHBondContact O-NH1 3.36Å; W692-R714 HydrophobicContact CH2-CB 4.16Å; W692-R714 HydrophobicContact CZ2-CB 3.74Å; W692-R714 HydrophobicContact CZ2-CG 4.01Å; I705-R714 HydrophobicContact CG2-CB 4.18Å; I705-R714 HydrophobicContact CG2-CG 4.25Å; I705-R714 VanDerWaalsContact O-CD 3.25Å; I705-R714 WeakPolarHBondContact O-CD 3.44Å; I705-R714 PolarHBondContact O-NE 2.93Å; I705-R714 VanDerWaalsContact O-NE 3.08Å; H710-R714 PolarHBondContact NE2-NE 3.27Å; H710-R714 PolarHBondContact NE2-NH2 3.34Å; R714-W724 PolarHBondContact N-O 3.36Å; R714-W724 PolarHBondContact O-N 3.47Å; R714-W724 VanDerWaalsContact O-O 3.1Å
715	N	83.2	Confident	74.6	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.144	23%	0.231	C	C	.	.			trans	-102.6	64.1	176.7	-166.4	11.6	0	0	0	110.8	I671 Q672 A674 Y719 P723	I671-N715 PolarHBondContact O-ND2 2.93Å; Q672-N715 PolarHBondContact O-ND2 3.36Å; A674-N715 PolarHBondContact N-ND2 3.45Å; A674-N715 VanDerWaalsContact O-CB 3.27Å; A674-N715 WeakPolarHBondContact O-CB 3.43Å; A674-N715 PolarHBondContact O-ND2 2.9Å; N715-Y719 PolarHBondContact OD1-N 2.82Å; N715-P723 HydrophobicContact CB-CB 4.32Å; N715-P723 HydrophobicContact CB-CG 4.09Å
716	Y	73.6	Confident	76.2	Confident	75 Å²	75	41.1 Å²	41.1	29%	0.294	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	131	175.5	179.2	-110.7	0	0	0	110.2	V701 P702 I705 W724	V701-Y716 HydrophobicContact CG1-CD1 3.63Å; V701-Y716 HydrophobicContact CG1-CD2 4.18Å; V701-Y716 HydrophobicContact CG1-CE1 3.91Å; V701-Y716 HydrophobicContact CG1-CE2 4.45Å; V701-Y716 HydrophobicContact CG1-CG 3.77Å; V701-Y716 HydrophobicContact CG2-CD1 4.4Å; V701-Y716 HydrophobicContact CG2-CE1 4.36Å; P702-Y716 HydrophobicContact CG-CD2 4.38Å; P702-Y716 HydrophobicContact CG-CE2 3.7Å; I705-Y716 HydrophobicContact CD1-CD2 4.28Å; Y716-W724 WeakPolarHBondContact O-CZ2 3.41Å; Y716-W724 PolarHBondContact O-NE1 3.09Å
717	G	67.9	Low	77.7	Confident	59 Å²	59	41 Å²	41	61%	0.608	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	40.4	-178.8	0	0	0	0	0	114.1	Y719	G717-Y719 VanDerWaalsContact C-N 3.3Å; G717-Y719 PolarHBondContact O-N 3.13Å
718	E	67.7	Low	78.6	Confident	122 Å²	122	47.4 Å²	47.4	57%	0.57	24%	0.238	S	C	*	.			trans	41.6	49.9	166.9	-60.3	-171.9	-175	0	0	115	Q672 E720	Q672-E718 WeakPolarHBondContact O-CA 3.41Å; E718-E720 PolarHBondContact O-N 2.97Å
719	Y	74.1	Confident	79	Confident	61 Å²	61	48.3 Å²	48.3	24%	0.239	24%	0.24	C	C	.	.			trans	-66.1	136	-170.6	-176.6	-129	0	0	0	110.9	N715 G717 H721 G722 W724	N715-Y719 PolarHBondContact OD1-N 2.82Å; G717-Y719 VanDerWaalsContact C-N 3.3Å; G717-Y719 PolarHBondContact O-N 3.13Å; Y719-H721 HydrophobicContact CD1-CB 4.08Å; Y719-H721 HydrophobicContact CE1-CB 3.76Å; Y719-H721 AromaticContact CZ-CD2 3.93Å; Y719-H721 PolarHBondContact O-N 2.79Å; Y719-G722 WeakPolarHBondContact CD1-O 3.45Å; Y719-G722 PolarHBondContact O-N 3.47Å; Y719-W724 HydrophobicContact CD1-CB 3.77Å; Y719-W724 AromaticContact CD1-CD1 3.6Å; Y719-W724 AromaticContact CD1-CG 3.81Å; Y719-W724 HydrophobicContact CD1-CG 3.81Å; Y719-W724 HydrophobicContact CE1-CB 4.1Å; Y719-W724 HydrophobicContact CE1-CG 4.45Å; Y719-W724 AromaticContact CG-CD1 3.76Å; Y719-W724 HydrophobicContact CG-CG 4.3Å
720	E	77.8	Confident	78.7	Confident	135 Å²	135	53.6 Å²	53.6	63%	0.631	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.4	-176.3	-62.3	-178	177.4	0	0	114.8	E718	E718-E720 PolarHBondContact O-N 2.97Å
721	H	82.7	Confident	77.8	Confident	86 Å²	86	55.3 Å²	55.3	40%	0.398	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	15.6	180	-50.2	-17.7	0	0	0	112.3	Y719 A736	Y719-H721 HydrophobicContact CD1-CB 4.08Å; Y719-H721 HydrophobicContact CE1-CB 3.76Å; Y719-H721 AromaticContact CZ-CD2 3.93Å; Y719-H721 PolarHBondContact O-N 2.79Å; H721-A736 HydrophobicContact CB-CB 3.78Å; H721-A736 WeakPolarHBondContact O-CB 3.42Å
722	G	87.4	Confident	76.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.			trans	73.1	-153.6	173.3	0	0	0	0	0	114.2	I671 Y719 W724	I671-G722 WeakPolarHBondContact O-CA 3.43Å; Y719-G722 WeakPolarHBondContact CD1-O 3.45Å; Y719-G722 PolarHBondContact O-N 3.47Å; G722-W724 PolarHBondContact O-N 3.48Å; G722-W724 VanDerWaalsContact O-N 3.17Å
723	P	90.8	Very high	75.7	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-53	121.7	-175.2	-22.4	30.9	0	0	0	112.1	I666 A674 Y676 C713 N715 C737 F738	I666-P723 HydrophobicContact CD1-CG 3.61Å; A674-P723 HydrophobicContact CB-CG 4.45Å; Y676-P723 HydrophobicContact CD1-CB 4.24Å; Y676-P723 HydrophobicContact CG-CB 4.23Å; Y676-P723 HydrophobicContact CG-CG 4.13Å; C713-P723 HydrophobicContact CB-CB 4.46Å; N715-P723 HydrophobicContact CB-CB 4.32Å; N715-P723 HydrophobicContact CB-CG 4.09Å; P723-C737 WeakPolarHBondContact O-CB 3.18Å; P723-C737 PolarHBondContact O-N 3.3Å; P723-F738 HydrophobicContact CB-CD2 4.06Å; P723-F738 HydrophobicContact CB-CE2 4.08Å; P723-F738 HydrophobicContact CG-CD2 4.18Å; P723-F738 HydrophobicContact CG-CE2 4.33Å
724	W	90.1	Very high	75.3	Confident	1 Å²	1	64 Å²	64	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	169.9	-171.1	60.2	-89.3	0	0	0	110.8	W692 C713 R714 Y716 Y719 G722 Y726 R734 E735	W692-W724 HydrophobicContact CH2-CD2 4.14Å; W692-W724 AromaticContact CH2-CE3 3.77Å; W692-W724 HydrophobicContact CH2-CE3 3.77Å; W692-W724 AromaticContact CH2-CH2 3.83Å; W692-W724 HydrophobicContact CH2-CH2 3.83Å; W692-W724 HydrophobicContact CH2-CZ2 4.21Å; W692-W724 AromaticContact CH2-CZ3 3.57Å; W692-W724 HydrophobicContact CH2-CZ3 3.57Å; W692-W724 WeakPolarHBondContact CZ2-O 3.2Å; W692-W724 HydrophobicContact CZ3-CE3 4.17Å; W692-W724 AromaticContact CZ3-CH2 3.44Å; W692-W724 HydrophobicContact CZ3-CH2 3.44Å; W692-W724 VanDerWaalsContact CZ3-CH2 3.44Å; W692-W724 HydrophobicContact CZ3-CZ2 4.08Å; W692-W724 AromaticContact CZ3-CZ3 3.47Å; W692-W724 HydrophobicContact CZ3-CZ3 3.47Å; W692-W724 VanDerWaalsContact CZ3-CZ3 3.47Å; C713-W724 WeakPolarHBondContact CA-O 3.37Å; R714-W724 PolarHBondContact N-O 3.36Å; R714-W724 PolarHBondContact O-N 3.47Å; R714-W724 VanDerWaalsContact O-O 3.1Å; Y716-W724 WeakPolarHBondContact O-CZ2 3.41Å; Y716-W724 PolarHBondContact O-NE1 3.09Å; Y719-W724 HydrophobicContact CD1-CB 3.77Å; Y719-W724 AromaticContact CD1-CD1 3.6Å; Y719-W724 AromaticContact CD1-CG 3.81Å; Y719-W724 HydrophobicContact CD1-CG 3.81Å; Y719-W724 HydrophobicContact CE1-CB 4.1Å; Y719-W724 HydrophobicContact CE1-CG 4.45Å; Y719-W724 AromaticContact CG-CD1 3.76Å; Y719-W724 HydrophobicContact CG-CG 4.3Å; G722-W724 PolarHBondContact O-N 3.48Å; G722-W724 VanDerWaalsContact O-N 3.17Å; W724-Y726 HydrophobicContact CH2-CE1 4.03Å; W724-Y726 HydrophobicContact CH2-CE2 4.03Å; W724-Y726 AromaticContact CH2-CZ 3.6Å; W724-Y726 WeakPolarHBondContact CH2-OH 3.42Å; W724-Y726 AromaticContact CZ3-CD1 3.84Å; W724-Y726 HydrophobicContact CZ3-CD1 3.84Å; W724-Y726 HydrophobicContact CZ3-CD2 4.12Å; W724-Y726 AromaticContact CZ3-CE1 3.53Å; W724-Y726 HydrophobicContact CZ3-CE1 3.53Å; W724-Y726 AromaticContact CZ3-CE2 3.79Å; W724-Y726 HydrophobicContact CZ3-CE2 3.79Å; W724-Y726 HydrophobicContact CZ3-CG 4.14Å; W724-Y726 AromaticContact CZ3-CZ 3.46Å; W724-Y726 VanDerWaalsContact CZ3-CZ 3.46Å; W724-R734 HydrophobicContact CD2-CB 4.46Å; W724-R734 HydrophobicContact CD2-CG 4.4Å; W724-R734 HydrophobicContact CE3-CB 3.87Å; W724-R734 HydrophobicContact CE3-CG 3.64Å; W724-R734 HydrophobicContact CH2-CG 4.17Å; W724-R734 HydrophobicContact CZ3-CB 4.28Å; W724-R734 VanDerWaalsContact CZ3-CD 3.49Å; W724-R734 HydrophobicContact CZ3-CG 3.53Å; W724-E735 VanDerWaalsContact CA-O 3.28Å; W724-E735 WeakPolarHBondContact CA-O 3.45Å; W724-E735 WeakPolarHBondContact CB-O 3.47Å
725	C	88.2	Confident	75.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	171.3	167.8	75	0	0	0	0	111.3	T683 C689 W692 R734 E735	T683-C725 VanDerWaalsContact CG2-SG 3.51Å; C689-C725 WeakPolarHBondContact CA-SG 3.25Å; C689-C725 HydrophobicContact CB-CB 3.57Å; C689-C725 WeakPolarHBondContact CB-SG 3.15Å; C689-C725 WeakPolarHBondContact SG-CB 3.3Å; C689-C725 CovalentContact SG-SG 2.02Å; C689-C725 PolarHBondContact SG-SG 3.38Å; W692-C725 HydrophobicContact CZ2-CB 4.42Å; C725-R734 WeakPolarHBondContact O-CA 3.39Å; C725-E735 PolarHBondContact N-O 2.9Å; C725-E735 PolarHBondContact O-N 3.08Å
726	Y	84.2	Confident	75.8	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	147.1	175.8	-74.3	-52	0	0	0	112.2	C689 K690 W692 R695 L697 Y699 W724 R734	C689-Y726 CarbonylContact C-O 3.56Å; C689-Y726 WeakPolarHBondContact CA-O 3.42Å; K690-Y726 WeakPolarHBondContact CG-O 3.27Å; K690-Y726 PolarHBondContact N-O 3.09Å; W692-Y726 HydrophobicContact CE3-CD2 4.09Å; W692-Y726 AromaticContact CE3-CE2 3.92Å; W692-Y726 HydrophobicContact CE3-CE2 3.92Å; W692-Y726 HydrophobicContact CZ3-CD2 4.17Å; W692-Y726 AromaticContact CZ3-CE2 3.91Å; W692-Y726 HydrophobicContact CZ3-CE2 3.91Å; R695-Y726 HydrophobicContact CG-CD2 4.5Å; R695-Y726 VanDerWaalsContact CZ-CG 3.43Å; L697-Y726 HydrophobicContact CD1-CE2 3.84Å; L697-Y726 WeakPolarHBondContact CD1-OH 3.22Å; Y699-Y726 PolarHBondContact OH-OH 2.97Å; W724-Y726 HydrophobicContact CH2-CE1 4.03Å; W724-Y726 HydrophobicContact CH2-CE2 4.03Å; W724-Y726 AromaticContact CH2-CZ 3.6Å; W724-Y726 WeakPolarHBondContact CH2-OH 3.42Å; W724-Y726 AromaticContact CZ3-CD1 3.84Å; W724-Y726 HydrophobicContact CZ3-CD1 3.84Å; W724-Y726 HydrophobicContact CZ3-CD2 4.12Å; W724-Y726 AromaticContact CZ3-CE1 3.53Å; W724-Y726 HydrophobicContact CZ3-CE1 3.53Å; W724-Y726 AromaticContact CZ3-CE2 3.79Å; W724-Y726 HydrophobicContact CZ3-CE2 3.79Å; W724-Y726 HydrophobicContact CZ3-CG 4.14Å; W724-Y726 AromaticContact CZ3-CZ 3.46Å; W724-Y726 VanDerWaalsContact CZ3-CZ 3.46Å; Y726-R734 HydrophobicContact CD1-CG 3.79Å; Y726-R734 HydrophobicContact CE1-CG 3.47Å; Y726-R734 VanDerWaalsContact CE1-CG 3.47Å
727	V	84.2	Confident	76.8	Confident	7 Å²	7	60 Å²	60	4%	0.042	31%	0.308	C	S	.	.			trans	-122.3	165.3	175	-166.5	0	0	0	0	111.9	T683 K687 K690 R695 E733 E735	T683-V727 HydrophobicContact CG2-CG2 3.63Å; K687-V727 HydrophobicContact CB-CG1 3.78Å; K687-V727 HydrophobicContact CB-CG2 4.3Å; K687-V727 HydrophobicContact CD-CB 4.44Å; K687-V727 HydrophobicContact CD-CG1 3.62Å; K687-V727 HydrophobicContact CD-CG2 4.38Å; K687-V727 HydrophobicContact CG-CG1 4.31Å; K690-V727 WeakPolarHBondContact CE-O 3.24Å; R695-V727 PolarHBondContact NH2-O 3.22Å; V727-E733 PolarHBondContact N-O 3Å; V727-E735 HydrophobicContact CG2-CB 4.19Å
728	F	69.5	Low	78.1	Confident	146 Å²	146	57.3 Å²	57.3	64%	0.64	28%	0.28	S	S	*	.			trans	-94.1	83.1	167.1	-78	-92.5	0	0	0	111	K690 E694	K690-F728 HydrophobicContact CB-CE2 4.43Å; K690-F728 HydrophobicContact CD-CD2 3.74Å; K690-F728 HydrophobicContact CD-CE1 4.4Å; K690-F728 HydrophobicContact CD-CE2 3.5Å; K690-F728 VanDerWaalsContact CD-CE2 3.5Å; K690-F728 HydrophobicContact CD-CG 4.27Å; K690-F728 HydrophobicContact CD-CZ 3.86Å; K690-F728 HydrophobicContact CG-CD2 3.58Å; K690-F728 HydrophobicContact CG-CE2 3.55Å; K690-F728 HydrophobicContact CG-CG 4.43Å; K690-F728 HydrophobicContact CG-CZ 4.41Å; K690-F728 VanDerWaalsContact NZ-CZ 3.26Å; E694-F728 VanDerWaalsContact OE2-CE2 3.26Å; E694-F728 WeakPolarHBondContact OE2-CE2 3.16Å; E694-F728 VanDerWaalsContact OE2-CZ 3.23Å; E694-F728 WeakPolarHBondContact OE2-CZ 3.23Å
729	D	57.9	Low	79.2	Confident	77 Å²	77	55 Å²	55	41%	0.412	27%	0.271	S	S	.	.	S	Bend	trans	-144.6	88.7	174.4	-149.1	-15.3	0	0	0	112.4	K687 G731	K687-D729 IonicContact NZ-OD2 2.6Å; K687-D729 PolarHBondContact NZ-OD2 2.91Å; D729-G731 PolarHBondContact O-N 3.47Å
730	K	54.8	Low	80.1	Confident	222 Å²	222	55 Å²	55	97%	0.965	28%	0.278	S	S	*	.	S	Bend	trans	43.4	11.7	170.8	-67.2	177.9	-176.1	165.6	0	119.4
731	G	53.7	Low	80.8	Confident	48 Å²	48	49.2 Å²	49.2	50%	0.495	25%	0.252	S	S	.	.	S	Bend	trans	-175.2	-173.9	-178.4	0	0	0	0	0	110.5	D729 E733	D729-G731 PolarHBondContact O-N 3.47Å; G731-E733 PolarHBondContact O-N 2.89Å
732	V	55.3	Low	81.2	Confident	106 Å²	106	49.1 Å²	49.1	64%	0.642	26%	0.259	S	S	*	.			trans	-85.6	60.9	179.9	177.4	0	0	0	0	109.2	R734	V732-R734 PolarHBondContact O-N 3.46Å
733	E	70.5	Confident	81.2	Confident	78 Å²	78	59.2 Å²	59.2	36%	0.364	30%	0.303	S	S	.	.			trans	-72.3	130.3	173.6	-164.4	168.4	-115.1	0	0	109.8	K687 R695 V727 G731	K687-E733 IonicContact NZ-OE2 4Å; K687-E733 PolarHBondContact NZ-OE2 3.01Å; R695-E733 PolarHBondContact NH2-O 3.32Å; V727-E733 PolarHBondContact N-O 3Å; G731-E733 PolarHBondContact O-N 2.89Å
734	R	82	Confident	80.8	Confident	86 Å²	86	63.2 Å²	63.2	33%	0.325	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.3	159.5	-66.9	-179	177.5	169.9	-1.5	106	Y699 W724 C725 Y726 V732	Y699-R734 PolarHBondContact OH-NH2 2.92Å; W724-R734 HydrophobicContact CD2-CB 4.46Å; W724-R734 HydrophobicContact CD2-CG 4.4Å; W724-R734 HydrophobicContact CE3-CB 3.87Å; W724-R734 HydrophobicContact CE3-CG 3.64Å; W724-R734 HydrophobicContact CH2-CG 4.17Å; W724-R734 HydrophobicContact CZ3-CB 4.28Å; W724-R734 VanDerWaalsContact CZ3-CD 3.49Å; W724-R734 HydrophobicContact CZ3-CG 3.53Å; C725-R734 WeakPolarHBondContact O-CA 3.39Å; Y726-R734 HydrophobicContact CD1-CG 3.79Å; Y726-R734 HydrophobicContact CE1-CG 3.47Å; Y726-R734 VanDerWaalsContact CE1-CG 3.47Å; V732-R734 PolarHBondContact O-N 3.46Å
735	E	88.5	Confident	80.5	Confident	21 Å²	21	67.2 Å²	67.2	10%	0.098	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141	176.7	-162	-162.7	147.2	0	0	109.9	T683 T685 K687 W724 C725 V727	T683-E735 VanDerWaalsContact CB-OE1 3.26Å; T683-E735 WeakPolarHBondContact CB-OE1 3.42Å; T683-E735 WeakPolarHBondContact CB-OE2 3.37Å; T683-E735 HydrophobicContact CG2-CB 3.71Å; T683-E735 HydrophobicContact CG2-CG 4.17Å; T683-E735 WeakPolarHBondContact CG2-OE2 3.33Å; T683-E735 PolarHBondContact OG1-OE1 3.31Å; T683-E735 PolarHBondContact OG1-OE2 3.34Å; T685-E735 VanDerWaalsContact CB-OE1 3.3Å; T685-E735 WeakPolarHBondContact CB-OE1 3.45Å; T685-E735 VanDerWaalsContact CG2-OE1 3.28Å; T685-E735 WeakPolarHBondContact CG2-OE1 3.23Å; T685-E735 PolarHBondContact N-OE1 2.97Å; T685-E735 PolarHBondContact OG1-OE1 2.97Å; T685-E735 PolarHBondContact OG1-OE2 2.86Å; T685-E735 VanDerWaalsContact OG1-OE2 3.12Å; K687-E735 WeakPolarHBondContact CD-OE2 3.4Å; W724-E735 VanDerWaalsContact CA-O 3.28Å; W724-E735 WeakPolarHBondContact CA-O 3.45Å; W724-E735 WeakPolarHBondContact CB-O 3.47Å; C725-E735 PolarHBondContact N-O 2.9Å; C725-E735 PolarHBondContact O-N 3.08Å; V727-E735 HydrophobicContact CG2-CB 4.19Å
736	A	92	Very high	80.5	Confident	3 Å²	3	73.7 Å²	73.7	3%	0.025	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	147.1	175.9	0	0	0	0	0	111.8	K684 H721	K684-A736 HydrophobicContact CD-CB 4.2Å; K684-A736 WeakPolarHBondContact CG-O 3.48Å; K684-A736 PolarHBondContact N-O 3.42Å; H721-A736 HydrophobicContact CB-CB 3.78Å; H721-A736 WeakPolarHBondContact O-CB 3.42Å
737	C	93.8	Very high	80.7	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	41%	0.411	C	S	.	.	S	Bend	trans	-98.1	-7.3	179.8	-60	0	0	0	0	114.4	R680 R682 C713 P723	R680-C737 WeakPolarHBondContact CD-O 3.42Å; R680-C737 HydrophobicContact CG-CB 4.49Å; R680-C737 PolarHBondContact NH1-O 2.88Å; R682-C737 WeakPolarHBondContact O-CB 3.03Å; C713-C737 HydrophobicContact CB-CB 3.61Å; C713-C737 WeakPolarHBondContact CB-SG 3.37Å; C713-C737 WeakPolarHBondContact SG-CB 3.37Å; C713-C737 CovalentContact SG-SG 2.02Å; C713-C737 PolarHBondContact SG-SG 3.28Å; P723-C737 WeakPolarHBondContact O-CB 3.18Å; P723-C737 PolarHBondContact O-N 3.3Å
738	F	94.2	Very high	80.9	Confident	3 Å²	3	78 Å²	78	1%	0.013	43%	0.426	C	S	.	.	S	Bend	trans	-135.3	159.9	-179.8	-60.9	-84.8	0	0	0	110	V660 E661 I666 Y676 R680 K684 P723	V660-F738 HydrophobicContact CG1-CD1 3.72Å; V660-F738 HydrophobicContact CG1-CD2 4.42Å; V660-F738 HydrophobicContact CG1-CE1 3.43Å; V660-F738 VanDerWaalsContact CG1-CE1 3.43Å; V660-F738 HydrophobicContact CG1-CE2 4.18Å; V660-F738 HydrophobicContact CG1-CG 4.22Å; V660-F738 HydrophobicContact CG1-CZ 3.69Å; E661-F738 WeakPolarHBondContact OE1-CZ 3.43Å; I666-F738 HydrophobicContact CD1-CB 3.92Å; I666-F738 HydrophobicContact CD1-CD2 3.75Å; I666-F738 HydrophobicContact CD1-CE2 4.49Å; I666-F738 HydrophobicContact CD1-CG 3.87Å; I666-F738 HydrophobicContact CG1-CB 4.1Å; I666-F738 HydrophobicContact CG1-CG 4.2Å; Y676-F738 HydrophobicContact CD1-CE2 4.24Å; Y676-F738 AromaticContact CD2-CE2 3.89Å; Y676-F738 HydrophobicContact CD2-CE2 3.89Å; Y676-F738 AromaticContact CD2-CZ 3.79Å; Y676-F738 HydrophobicContact CD2-CZ 3.79Å; Y676-F738 HydrophobicContact CE1-CE2 4.28Å; Y676-F738 HydrophobicContact CE1-CZ 4.34Å; Y676-F738 HydrophobicContact CE2-CE1 4.43Å; Y676-F738 AromaticContact CE2-CE2 3.92Å; Y676-F738 HydrophobicContact CE2-CE2 3.92Å; Y676-F738 AromaticContact CE2-CZ 3.41Å; Y676-F738 HydrophobicContact CE2-CZ 3.41Å; Y676-F738 VanDerWaalsContact CE2-CZ 3.41Å; Y676-F738 HydrophobicContact CG-CE2 4.05Å; Y676-F738 HydrophobicContact CG-CZ 4.38Å; Y676-F738 AromaticContact CZ-CZ 3.72Å; R680-F738 HydrophobicContact CB-CZ 4.46Å; R680-F738 VanDerWaalsContact NE-CE1 3.27Å; K684-F738 VanDerWaalsContact CD-O 3.3Å; K684-F738 WeakPolarHBondContact CD-O 3.29Å; P723-F738 HydrophobicContact CB-CD2 4.06Å; P723-F738 HydrophobicContact CB-CE2 4.08Å; P723-F738 HydrophobicContact CG-CD2 4.18Å; P723-F738 HydrophobicContact CG-CE2 4.33Å
739	D	92.8	Very high	81.8	Confident	74 Å²	74	78.9 Å²	78.9	40%	0.396	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	162.8	167.4	-83.4	-58.1	0	0	0	111.9	C665 I666 K684	C665-D739 CarbonylContact C-O 3.57Å; C665-D739 WeakPolarHBondContact CA-O 3.4Å; C665-D739 VanDerWaalsContact CB-O 3.23Å; C665-D739 WeakPolarHBondContact CB-O 3.32Å; I666-D739 PolarHBondContact N-O 3.49Å; K684-D739 WeakPolarHBondContact CD-OD1 3.38Å; K684-D739 WeakPolarHBondContact CE-OD1 3.23Å; K684-D739 IonicContact NZ-OD1 2.99Å; K684-D739 PolarHBondContact NZ-OD1 2.86Å
740	V	92	Very high	83.2	Confident	61 Å²	61	76.7 Å²	76.7	37%	0.37	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.5	166.9	-177.8	0	0	0	0	108.2	N668 I671	N668-V740 HydrophobicContact CB-CG1 3.72Å; N668-V740 WeakPolarHBondContact OD1-CG1 3.33Å; I671-V740 HydrophobicContact CD1-CG2 3.69Å
741	C	92.9	Very high	84.4	Confident	13 Å²	13	72 Å²	72	9%	0.088	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.2	130	176.8	-69.5	0	0	0	0	111.6	C665 I666 K743 L747	C665-C741 HydrophobicContact CB-CB 3.98Å; C665-C741 WeakPolarHBondContact CB-SG 3.1Å; C665-C741 PolarHBondContact O-SG 2.99Å; C665-C741 WeakPolarHBondContact SG-CA 3.17Å; C665-C741 WeakPolarHBondContact SG-CB 3.44Å; C665-C741 CovalentContact SG-SG 2.05Å; C665-C741 PolarHBondContact SG-SG 2.93Å; I666-C741 VanDerWaalsContact C-SG 3.51Å; I666-C741 PolarHBondContact N-SG 3.19Å; I666-C741 VanDerWaalsContact N-SG 3.43Å; I666-C741 PolarHBondContact O-N 3.45Å; C741-K743 PolarHBondContact O-N 2.84Å; C741-L747 HydrophobicContact CB-CD1 4.37Å; C741-L747 HydrophobicContact CB-CD2 4.04Å
742	P	90.5	Very high	85.6	Confident	84 Å²	84	70.6 Å²	70.6	55%	0.545	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-59.1	137.6	177.5	-24.7	33.8	0	0	0	112.4	G744 K745	P742-G744 PolarHBondContact O-N 3.33Å; P742-K745 HydrophobicContact CB-CB 4.28Å; P742-K745 VanDerWaalsContact O-CB 3.31Å; P742-K745 WeakPolarHBondContact O-CB 3.31Å; P742-K745 PolarHBondContact O-N 3.5Å
743	K	87.4	Confident	86.2	Confident	212 Å²	212	68.5 Å²	68.5	92%	0.922	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	123.5	175.6	-65.9	-174.3	178.2	-176.3	0	109.9	C741	C741-K743 PolarHBondContact O-N 2.84Å
744	G	81.5	Confident	85.6	Confident	84 Å²	84	68.8 Å²	68.8	87%	0.866	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	4.2	-177.8	0	0	0	0	0	115.5	P742 T746	P742-G744 PolarHBondContact O-N 3.33Å; G744-T746 PolarHBondContact O-N 3.13Å
745	K	85.1	Confident	84.3	Confident	84 Å²	84	67.9 Å²	67.9	37%	0.365	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-66.5	128.3	165.3	178	-178	171.2	-174.4	0	109.1	N663 P742 L747	N663-K745 PolarHBondContact O-NZ 3.37Å; P742-K745 HydrophobicContact CB-CB 4.28Å; P742-K745 VanDerWaalsContact O-CB 3.31Å; P742-K745 WeakPolarHBondContact O-CB 3.31Å; P742-K745 PolarHBondContact O-N 3.5Å; K745-L747 HydrophobicContact CB-CD2 4.35Å; K745-L747 HydrophobicContact CD-CD2 3.75Å; K745-L747 HydrophobicContact CG-CD2 3.92Å; K745-L747 PolarHBondContact O-N 3.24Å
746	T	88	Confident	82.6	Confident	137 Å²	137	69 Å²	69	84%	0.84	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-65.2	123	164.8	-53.4	0	0	0	0	109	G744	G744-T746 PolarHBondContact O-N 3.13Å
747	L	88.8	Confident	80.6	Confident	41 Å²	41	70.9 Å²	70.9	22%	0.215	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-103.3	134.3	-179.2	-58.6	177.2	0	0	0	110.1	N663 E667 C741 K745	N663-L747 HydrophobicContact CB-CD2 4.3Å; N663-L747 VanDerWaalsContact OD1-CA 3.28Å; N663-L747 WeakPolarHBondContact OD1-CA 3.47Å; N663-L747 WeakPolarHBondContact OD1-CD2 3.39Å; E667-L747 VanDerWaalsContact CD-CD1 3.47Å; E667-L747 HydrophobicContact CG-CD1 3.37Å; E667-L747 WeakPolarHBondContact OE1-CD1 3.37Å; C741-L747 HydrophobicContact CB-CD1 4.37Å; C741-L747 HydrophobicContact CB-CD2 4.04Å; K745-L747 HydrophobicContact CB-CD2 4.35Å; K745-L747 HydrophobicContact CD-CD2 3.75Å; K745-L747 HydrophobicContact CG-CD2 3.92Å; K745-L747 PolarHBondContact O-N 3.24Å
748	V	88.7	Confident	78.5	Confident	58 Å²	58	76.6 Å²	76.6	35%	0.352	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-72.4	133.2	167.3	-175.1	0	0	0	0	107.6	N663	N663-V748 PolarHBondContact ND2-O 3.38Å; N663-V748 PolarHBondContact OD1-N 2.99Å; N663-V748 VanDerWaalsContact OD1-N 3.1Å
749	R	88.2	Confident	76.3	Confident	164 Å²	164	81 Å²	81	62%	0.619	43%	0.426	S	S	*	.			trans	-130.1	120.7	172.5	-70.6	-177.5	176.2	170.9	-2.1	107	E667	E667-R749 IonicContact OE1-CZ 2.72Å; E667-R749 IonicContact OE1-NE 2.61Å; E667-R749 PolarHBondContact OE1-NE 3.46Å; E667-R749 IonicContact OE1-NH2 3.66Å; E667-R749 PolarHBondContact OE1-NH2 3.21Å; E667-R749 IonicContact OE2-NH2 3.23Å; E667-R749 PolarHBondContact OE2-NH2 2.87Å
750	H	86.6	Confident	74.1	Confident	32 Å²	32	80.9 Å²	80.9	15%	0.148	43%	0.426	C	S	.	.			trans	-94.6	148.6	173.9	-63	-85.6	0	0	0	110	C655 S659 E662 H755	C655-H750 HydrophobicContact CB-CB 4.15Å; C655-H750 WeakPolarHBondContact CB-O 3.11Å; S659-H750 PolarHBondContact OG-N 3.34Å; E662-H750 IonicContact OE2-CD2 3.4Å; E662-H750 IonicContact OE2-CE1 3.77Å; E662-H750 IonicContact OE2-NE2 2.85Å; E662-H750 PolarHBondContact OE2-NE2 3.28Å; H750-H755 AromaticContact ND1-NE2 3.84Å
751	K	81.2	Confident	71.8	Confident	122 Å²	122	78.5 Å²	78.5	53%	0.53	41%	0.411	S	S	.	.			trans	-136.5	157.2	164.6	-59.7	176.9	176.4	-176.1	0	109.5	D543 C655 A753 D754	D543-K751 WeakPolarHBondContact OD1-CA 3.23Å; C655-K751 VanDerWaalsContact SG-C 3.52Å; K751-A753 HydrophobicContact CB-CB 4.4Å; K751-A753 PolarHBondContact O-N 3.35Å; K751-D754 WeakPolarHBondContact CB-OD2 3.33Å; K751-D754 PolarHBondContact N-OD2 3.04Å; K751-D754 PolarHBondContact O-N 2.91Å
752	E	77.8	Confident	69.6	Low	19 Å²	19	80 Å²	80	9%	0.089	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-55.5	-32.3	169.4	176.7	149.7	-155	0	0	112.7	L539 D543 H546 I550 C655 D754	L539-E752 HydrophobicContact CD1-CG 3.78Å; D543-E752 HydrophobicContact CB-CB 4.36Å; D543-E752 PolarHBondContact N-OE2 2.95Å; D543-E752 VanDerWaalsContact N-OE2 3.09Å; D543-E752 PolarHBondContact OD1-N 2.82Å; H546-E752 IonicContact CE1-OE2 3.07Å; H546-E752 IonicContact CG-OE2 2.74Å; H546-E752 IonicContact ND1-OE2 3.37Å; H546-E752 PolarHBondContact ND1-OE2 3.21Å; I550-E752 WeakPolarHBondContact CD1-OE1 3.28Å; C655-E752 PolarHBondContact SG-N 3.24Å; E752-D754 PolarHBondContact O-N 2.85Å
753	A	67.4	Low	67.8	Low	62 Å²	62	81.3 Å²	81.3	51%	0.512	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-66.4	-31.1	175.5	0	0	0	0	0	114.6	K751 H755 N756	K751-A753 HydrophobicContact CB-CB 4.4Å; K751-A753 PolarHBondContact O-N 3.35Å; A753-H755 PolarHBondContact O-N 3.11Å; A753-H755 VanDerWaalsContact O-N 3.14Å; A753-N756 WeakPolarHBondContact O-CB 3.44Å; A753-N756 PolarHBondContact O-N 3.37Å
754	D	59	Low	65.8	Low	85 Å²	85	77.3 Å²	77.3	46%	0.455	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-71.6	-13.6	-169.3	-57.7	-26.2	0	0	0	113.1	K751 E752	K751-D754 WeakPolarHBondContact CB-OD2 3.33Å; K751-D754 PolarHBondContact N-OD2 3.04Å; K751-D754 PolarHBondContact O-N 2.91Å; E752-D754 PolarHBondContact O-N 2.85Å
755	H	54	Low	64.5	Low	66 Å²	66	77.3 Å²	77.3	31%	0.306	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-126.2	10.8	178.7	-57.2	-38.3	0	0	0	112.7	N538 F540 H750 A753	N538-H755 WeakPolarHBondContact CB-O 3.38Å; F540-H755 HydrophobicContact CD2-CB 3.88Å; F540-H755 AromaticContact CD2-CD2 3.53Å; F540-H755 AromaticContact CD2-CG 3.66Å; F540-H755 HydrophobicContact CE2-CB 4.28Å; H750-H755 AromaticContact ND1-NE2 3.84Å; A753-H755 PolarHBondContact O-N 3.11Å; A753-H755 VanDerWaalsContact O-N 3.14Å
756	N	52.5	Low	63.2	Low	44 Å²	44	77 Å²	77	24%	0.235	40%	0.398	C	S	.	.	S	Bend	trans	-71	144.6	176.3	-126.3	-32.4	0	0	0	109.9	E535 A753 H758	E535-N756 WeakPolarHBondContact CA-OD1 3.46Å; E535-N756 WeakPolarHBondContact CB-OD1 3.47Å; A753-N756 WeakPolarHBondContact O-CB 3.44Å; A753-N756 PolarHBondContact O-N 3.37Å; N756-H758 PolarHBondContact O-N 3.26Å
757	W	50.9	Low	61.8	Low	43 Å²	43	76 Å²	76	16%	0.163	39%	0.388	C	S	.	.			trans	-60.4	26.4	-179.9	69.8	-63.4	0	0	0	117	N465 C467 P480 C534 Y759	N465-W757 HydrophobicContact CB-CE3 4.44Å; N465-W757 HydrophobicContact CB-CH2 3.72Å; N465-W757 HydrophobicContact CB-CZ3 3.59Å; N465-W757 WeakPolarHBondContact O-CH2 3.37Å; N465-W757 WeakPolarHBondContact O-CZ3 3.17Å; C467-W757 HydrophobicContact CB-CZ3 4.23Å; C467-W757 VanDerWaalsContact SG-CE3 3.54Å; C467-W757 WeakPolarHBondContact SG-CZ3 3.37Å; P480-W757 HydrophobicContact CB-CZ2 4.42Å; P480-W757 HydrophobicContact CG-CH2 3.9Å; P480-W757 HydrophobicContact CG-CZ2 4.25Å; C534-W757 VanDerWaalsContact C-CD1 3.45Å; C534-W757 VanDerWaalsContact C-CG 3.4Å; C534-W757 HydrophobicContact CB-CB 4.27Å; C534-W757 HydrophobicContact CB-CD2 3.23Å; C534-W757 HydrophobicContact CB-CE3 3.46Å; C534-W757 VanDerWaalsContact CB-CE3 3.46Å; C534-W757 HydrophobicContact CB-CG 3.63Å; C534-W757 HydrophobicContact CB-CH2 4.2Å; C534-W757 HydrophobicContact CB-CZ2 4.02Å; C534-W757 HydrophobicContact CB-CZ3 3.97Å; C534-W757 WeakPolarHBondContact O-CB 3.27Å; W757-Y759 PolarHBondContact O-N 3.19Å
758	H	49.5	Very low	60.3	Low	121 Å²	121	74.4 Å²	74.4	56%	0.56	38%	0.38	S	S	*	.			trans	-68	78.3	178.2	-70.2	17.4	0	0	0	111	N756 D760	N756-H758 PolarHBondContact O-N 3.26Å; H758-D760 PolarHBondContact O-N 3.49Å
759	Y	46.8	Very low	58.8	Low	94 Å²	94	73.2 Å²	73.2	37%	0.369	37%	0.374	S	S	.	.			trans	-55	88.7	137.8	-87.3	-92.9	0	0	0	106.6	V470 W757 T761 E764	V470-Y759 HydrophobicContact CG2-CE2 4.22Å; V470-Y759 VanDerWaalsContact CG2-OH 3.29Å; V470-Y759 WeakPolarHBondContact CG2-OH 3.01Å; W757-Y759 PolarHBondContact O-N 3.19Å; Y759-T761 PolarHBondContact O-N 2.87Å; Y759-T761 VanDerWaalsContact O-N 3.09Å; Y759-E764 WeakPolarHBondContact CE1-OE2 3.47Å
760	D	47.3	Very low	57.2	Low	73 Å²	73	71.2 Å²	71.2	39%	0.39	37%	0.371	S	S	.	.			trans	-58.9	109.6	155.4	161.2	35.6	0	0	0	106.3	H758 C762 T763	H758-D760 PolarHBondContact O-N 3.49Å; D760-C762 PolarHBondContact O-N 3.46Å; D760-C762 VanDerWaalsContact O-N 3.17Å; D760-C762 WeakPolarHBondContact OD1-CB 3.41Å; D760-C762 PolarHBondContact OD1-N 3.11Å; D760-C762 PolarHBondContact OD1-SG 3.01Å; D760-C762 VanDerWaalsContact OD1-SG 3.4Å; D760-T763 WeakPolarHBondContact CB-OG1 3.45Å; D760-T763 VanDerWaalsContact CG-OG1 3.26Å; D760-T763 PolarHBondContact O-N 2.87Å; D760-T763 PolarHBondContact O-OG1 2.93Å; D760-T763 PolarHBondContact OD2-N 3.33Å; D760-T763 PolarHBondContact OD2-OG1 2.78Å
761	T	43.9	Very low	55.1	Low	11 Å²	11	75.3 Å²	75.3	7%	0.067	39%	0.394	C	S	.	.	H	α-helix	trans	-62.7	-24.5	-176.3	-14.9	0	0	0	0	110.6	P462 Y759 T763 H765	P462-T761 WeakPolarHBondContact CG-OG1 3.46Å; Y759-T761 PolarHBondContact O-N 2.87Å; Y759-T761 VanDerWaalsContact O-N 3.09Å; T761-T763 VanDerWaalsContact C-N 3.31Å; T761-T763 PolarHBondContact O-N 3.16Å; T761-H765 CarbonylContact O-C 3.59Å; T761-H765 WeakPolarHBondContact O-CA 3.2Å; T761-H765 WeakPolarHBondContact O-CB 3.18Å; T761-H765 PolarHBondContact O-N 3.28Å; T761-H765 VanDerWaalsContact O-O 3.12Å
762	C	47.4	Very low	53.2	Low	45 Å²	45	73.6 Å²	73.6	30%	0.304	40%	0.403	S	S	.	.	H	α-helix	trans	-71.7	-19	174.5	-46.1	0	0	0	0	113.5	D760 S766 C769	D760-C762 PolarHBondContact O-N 3.46Å; D760-C762 VanDerWaalsContact O-N 3.17Å; D760-C762 WeakPolarHBondContact OD1-CB 3.41Å; D760-C762 PolarHBondContact OD1-N 3.11Å; D760-C762 PolarHBondContact OD1-SG 3.01Å; D760-C762 VanDerWaalsContact OD1-SG 3.4Å; C762-S766 WeakPolarHBondContact O-CA 3.47Å; C762-S766 PolarHBondContact O-N 3.22Å; C762-C769 VanDerWaalsContact CA-SG 3.51Å; C762-C769 HydrophobicContact CB-CB 3.76Å; C762-C769 WeakPolarHBondContact CB-SG 3.37Å; C762-C769 WeakPolarHBondContact SG-CB 3.33Å; C762-C769 CovalentContact SG-SG 2.03Å; C762-C769 PolarHBondContact SG-SG 3.43Å
763	T	51.9	Low	51.1	Low	111 Å²	111	81.3 Å²	81.3	68%	0.681	44%	0.439	S	S	*	.	H	α-helix	trans	-77.2	-42.3	-178.7	-37.4	0	0	0	0	112.5	D760 T761	D760-T763 WeakPolarHBondContact CB-OG1 3.45Å; D760-T763 VanDerWaalsContact CG-OG1 3.26Å; D760-T763 PolarHBondContact O-N 2.87Å; D760-T763 PolarHBondContact O-OG1 2.93Å; D760-T763 PolarHBondContact OD2-N 3.33Å; D760-T763 PolarHBondContact OD2-OG1 2.78Å; T761-T763 VanDerWaalsContact C-N 3.31Å; T761-T763 PolarHBondContact O-N 3.16Å
764	E	44.8	Very low	49.5	Very low	128 Å²	128	84.3 Å²	84.3	60%	0.598	45%	0.451	S	S	*	.	H	α-helix	trans	-93.6	-28.5	175.7	-76.2	-164.8	147.3	0	0	113	Y759	Y759-E764 WeakPolarHBondContact CE1-OE2 3.47Å
765	H	55.2	Low	48.2	Very low	83 Å²	83	87.4 Å²	87.4	38%	0.384	47%	0.466	S	S	.	.			trans	-126.7	74.2	178.5	-65	-2.8	0	0	0	109.5	T761 D767 C768	T761-H765 CarbonylContact O-C 3.59Å; T761-H765 WeakPolarHBondContact O-CA 3.2Å; T761-H765 WeakPolarHBondContact O-CB 3.18Å; T761-H765 PolarHBondContact O-N 3.28Å; T761-H765 VanDerWaalsContact O-O 3.12Å; H765-D767 PolarHBondContact O-N 3.17Å; H765-C768 HydrophobicContact CB-CB 4.37Å; H765-C768 VanDerWaalsContact O-CB 3.25Å; H765-C768 WeakPolarHBondContact O-CB 3.31Å; H765-C768 PolarHBondContact O-N 3.27Å
766	S	58.4	Low	47.2	Very low	77 Å²	77	92.1 Å²	92.1	54%	0.538	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-44.9	-35.2	169.5	42.8	0	0	0	0	112.9	C762 C768 C769	C762-S766 WeakPolarHBondContact O-CA 3.47Å; C762-S766 PolarHBondContact O-N 3.22Å; S766-C768 PolarHBondContact O-N 2.73Å; S766-C769 CarbonylContact O-C 3.32Å; S766-C769 PolarHBondContact O-N 2.94Å
767	D	58.1	Low	46.1	Very low	118 Å²	118	99.5 Å²	99.5	63%	0.631	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.6	-177.6	-51.8	12.8	0	0	0	112.5	H765 C769 Q770	H765-D767 PolarHBondContact O-N 3.17Å; D767-C769 VanDerWaalsContact C-N 3.28Å; D767-Q770 WeakPolarHBondContact O-CG 3.43Å; D767-Q770 PolarHBondContact O-NE2 3.34Å
768	C	56.5	Low	45	Very low	6 Å²	6	101 Å²	101	4%	0.041	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-75.1	-10.6	173.3	-71.8	0	0	0	0	114.1	C446 H460 H765 S766	C446-C768 HydrophobicContact CB-CB 3.77Å; C446-C768 WeakPolarHBondContact CB-SG 3.46Å; C446-C768 WeakPolarHBondContact SG-CA 3.05Å; C446-C768 WeakPolarHBondContact SG-CB 3.44Å; C446-C768 CovalentContact SG-SG 2.03Å; C446-C768 PolarHBondContact SG-SG 3.28Å; H460-C768 PolarHBondContact CE1-O 2.65Å; H460-C768 PolarHBondContact ND1-O 3.2Å; H765-C768 HydrophobicContact CB-CB 4.37Å; H765-C768 VanDerWaalsContact O-CB 3.25Å; H765-C768 WeakPolarHBondContact O-CB 3.31Å; H765-C768 PolarHBondContact O-N 3.27Å; S766-C768 PolarHBondContact O-N 2.73Å
769	C	56.8	Low	44.1	Very low	34 Å²	34	101.5 Å²	101.5	23%	0.23	57%	0.568	C	S	.	*	S	Bend	trans	-138.5	76.1	-167.7	-51.9	0	0	0	0	110.6	C762 S766 D767	C762-C769 VanDerWaalsContact CA-SG 3.51Å; C762-C769 HydrophobicContact CB-CB 3.76Å; C762-C769 WeakPolarHBondContact CB-SG 3.37Å; C762-C769 WeakPolarHBondContact SG-CB 3.33Å; C762-C769 CovalentContact SG-SG 2.03Å; C762-C769 PolarHBondContact SG-SG 3.43Å; S766-C769 CarbonylContact O-C 3.32Å; S766-C769 PolarHBondContact O-N 2.94Å; D767-C769 VanDerWaalsContact C-N 3.28Å
770	Q	55.7	Low	43.4	Very low	121 Å²	121	106.5 Å²	106.5	57%	0.565	59%	0.591	S	S	*	*			trans	-95.5	131.7	-169.6	-59.4	-174.1	18.9	0	0	112.9	H460 D767 A772	H460-Q770 PolarHBondContact NE2-N 3.25Å; D767-Q770 WeakPolarHBondContact O-CG 3.43Å; D767-Q770 PolarHBondContact O-NE2 3.34Å; Q770-A772 PolarHBondContact O-N 3.49Å
771	D	42.7	Very low	42.9	Very low	118 Å²	118	113.1 Å²	113.1	63%	0.631	62%	0.616	S	S	*	*			trans	-79.4	106	170.4	-84	-41.3	0	0	0	110.6	K459 E773	K459-D771 IonicContact NZ-OD1 2.79Å; K459-D771 PolarHBondContact NZ-OD1 3.39Å; K459-D771 IonicContact NZ-OD2 3.66Å; D771-E773 PolarHBondContact O-N 2.68Å
772	A	40.5	Very low	42.4	Very low	87 Å²	87	121 Å²	121	72%	0.719	65%	0.652	S	S	*	*			trans	-78.8	76	-173	0	0	0	0	0	113.4	Q770 T774	Q770-A772 PolarHBondContact O-N 3.49Å; A772-T774 PolarHBondContact O-N 2.99Å
773	E	33.4	Very low	42.1	Very low	181 Å²	181	127.8 Å²	127.8	85%	0.846	68%	0.68	S	S	*	*			trans	-63.3	100.6	167.2	-69.3	-166.2	140.8	0	0	111.4	D771	D771-E773 PolarHBondContact O-N 2.68Å
774	T	34.4	Very low	41.6	Very low	124 Å²	124	129.5 Å²	129.5	76%	0.761	68%	0.678	S	S	*	*			trans	-177.9	118.8	137.8	21.6	0	0	0	0	116	A772	A772-T774 PolarHBondContact O-N 2.99Å
775	I	31	Very low	41.2	Very low	150 Å²	150	131 Å²	131	77%	0.769	68%	0.679	S	S	*	*			trans	63.2	111.4	144.4	-38.8	164.4	0	0	0	119.7
776	I	34.2	Very low	40.5	Very low	166 Å²	166	131.3 Å²	131.3	85%	0.851	69%	0.691	S	S	*	*				172.7	137.1	113.6	-84.7	174.2	0	0	0	108.5
777	E	28.7	Very low	39.7	Very low	199 Å²	199	133.9 Å²	133.9	93%	0.93	69%	0.694	S	S	*	*			trans	-98	142.6	-165.7	-63.1	-172.5	113.2	0	0	117.4
778	G	27.7	Very low	39	Very low	73 Å²	73	132 Å²	132	75%	0.753	68%	0.683	S	S	*	*			trans	102.4	168.4	139.2	0	0	0	0	0	118.6
779	P	31.2	Very low	38.2	Very low	133 Å²	133	137 Å²	137	86%	0.864	71%	0.709	S	S	*	*			cis	-117	164.1	-10.5	39.5	-27.5	0	0	0	114
780	K	32.2	Very low	37.9	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.865	72%	0.717	S	S	*	*			trans	-85.4	149.7	-177.2	-60.5	-176.7	179.5	-175	0	114.1
781	K	37	Very low	37.4	Very low	211 Å²	211	136.8 Å²	136.8	92%	0.917	71%	0.711	S	S	*	*			trans	-164	101.4	150.8	-116	174.4	-176	-178.7	0	112.5
782	E	32	Very low	37.1	Very low	176 Å²	176	135.1 Å²	135.1	82%	0.822	70%	0.702	S	S	*	*			trans	-117.8	117.9	172.5	-68.9	179	105	0	0	109.5
783	E	41.7	Very low	37.2	Very low	189 Å²	189	137.6 Å²	137.6	88%	0.883	70%	0.703	S	S	*	*			trans	-162	-1.7	170.9	-129	165	-162.9	0	0	114.8
784	K	41.2	Very low	37.8	Very low	146 Å²	146	135.6 Å²	135.6	64%	0.635	69%	0.692	S	S	*	*	S	Bend	trans	-104.6	-8.4	-165	-165.4	165.4	-177.6	176.9	0	116.2	I788	K784-I788 HydrophobicContact CG-CD1 4.36Å
785	Y	37.7	Very low	38.1	Very low	159 Å²	159	135.3 Å²	135.3	62%	0.624	68%	0.684	S	S	*	*	H	α-helix	trans	-83.1	-24.1	-168.9	-79.2	-76.9	0	0	0	115.4	L789	Y785-L789 PolarHBondContact O-N 2.84Å
786	S	39.7	Very low	38.2	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	68%	0.683	S	S	*	*	H	α-helix	trans	-66.5	-42.5	177.9	45.2	0	0	0	0	112.7	L789 S790	S786-L789 PolarHBondContact O-N 3.32Å; S786-S790 PolarHBondContact O-N 3.36Å
787	E	42.2	Very low	38.4	Very low	131 Å²	131	133.4 Å²	133.4	61%	0.612	67%	0.667	S	S	*	*	H	α-helix	trans	-63.1	-42.8	179.6	-164.8	172.1	-125.6	0	0	111.3	L789 S790 E791	E787-L789 PolarHBondContact O-N 3.04Å; E787-S790 PolarHBondContact O-N 2.85Å; E787-S790 PolarHBondContact O-OG 2.84Å; E787-E791 PolarHBondContact O-N 3.37Å
788	I	42.4	Very low	38.9	Very low	78 Å²	78	128.6 Å²	128.6	40%	0.4	65%	0.647	S	S	.	*	H	α-helix	trans	-63.3	-40.8	179.7	-63.5	170.8	0	0	0	112	K784 S790 E791 L792	K784-I788 HydrophobicContact CG-CD1 4.36Å; I788-S790 VanDerWaalsContact C-N 3.32Å; I788-S790 PolarHBondContact O-N 3.42Å; I788-E791 PolarHBondContact O-N 2.98Å; I788-L792 HydrophobicContact CG2-CD1 4.08Å; I788-L792 PolarHBondContact O-N 3.36Å
789	L	41	Very low	39.4	Very low	113 Å²	113	127.6 Å²	127.6	59%	0.592	63%	0.628	S	S	*	*	H	α-helix	trans	-65.2	-37.4	176.8	-71	167.4	0	0	0	111.5	Y785 S786 E787 E791 L792 D793	Y785-L789 PolarHBondContact O-N 2.84Å; S786-L789 PolarHBondContact O-N 3.32Å; E787-L789 PolarHBondContact O-N 3.04Å; L789-E791 PolarHBondContact O-N 2.66Å; L789-L792 HydrophobicContact CD2-CD1 4.36Å; L789-L792 PolarHBondContact O-N 2.82Å; L789-D793 PolarHBondContact O-N 3.5Å
790	S	48.5	Very low	39.7	Very low	57 Å²	57	124.9 Å²	124.9	40%	0.399	61%	0.612	S	S	.	*	H	α-helix	trans	-70.2	-15.9	176.7	78	0	0	0	0	114.7	S786 E787 I788 K794	S786-S790 PolarHBondContact O-N 3.36Å; E787-S790 PolarHBondContact O-N 2.85Å; E787-S790 PolarHBondContact O-OG 2.84Å; I788-S790 VanDerWaalsContact C-N 3.32Å; I788-S790 PolarHBondContact O-N 3.42Å; S790-K794 WeakPolarHBondContact O-CE 3.48Å
791	E	47.2	Very low	40.3	Very low	92 Å²	92	122.9 Å²	122.9	43%	0.43	60%	0.603	S	S	.	*	H	α-helix	trans	-91.6	-31.1	169.8	-68	-60.2	135.8	0	0	112.2	E787 I788 L789 K794 I795	E787-E791 PolarHBondContact O-N 3.37Å; I788-E791 PolarHBondContact O-N 2.98Å; L789-E791 PolarHBondContact O-N 2.66Å; E791-K794 WeakPolarHBondContact O-CB 3.31Å; E791-K794 PolarHBondContact O-N 2.82Å; E791-K794 VanDerWaalsContact O-N 3.08Å; E791-K794 IonicContact OE1-NZ 3.87Å; E791-K794 PolarHBondContact OE1-NZ 2.86Å; E791-K794 IonicContact OE2-NZ 3.5Å; E791-I795 WeakPolarHBondContact O-CG1 3.44Å; E791-I795 PolarHBondContact O-N 2.91Å
792	L	36.5	Very low	40.7	Very low	83 Å²	83	118.6 Å²	118.6	44%	0.435	59%	0.587	S	S	.	*	H	α-helix	trans	-63.4	-41.3	175.1	-79.5	163.2	0	0	0	112.1	I788 L789 K794 I795 W796	I788-L792 HydrophobicContact CG2-CD1 4.08Å; I788-L792 PolarHBondContact O-N 3.36Å; L789-L792 HydrophobicContact CD2-CD1 4.36Å; L789-L792 PolarHBondContact O-N 2.82Å; L792-K794 PolarHBondContact O-N 3.34Å; L792-K794 VanDerWaalsContact O-N 3.12Å; L792-I795 PolarHBondContact O-N 3.49Å; L792-W796 PolarHBondContact O-N 3.01Å
793	D	41.4	Very low	41.2	Very low	139 Å²	139	114.7 Å²	114.7	74%	0.743	57%	0.57	S	S	*	*	H	α-helix	trans	-61.9	-15.4	172.6	-85.7	6.7	0	0	0	113.7	L789	L789-D793 PolarHBondContact O-N 3.5Å
794	K	47	Very low	41.5	Very low	140 Å²	140	107.9 Å²	107.9	61%	0.609	55%	0.547	S	S	*	.	H	α-helix	trans	-93.3	-19.8	173.4	-59.5	171.6	-170.5	165.8	0	113.1	S790 E791 L792	S790-K794 WeakPolarHBondContact O-CE 3.48Å; E791-K794 WeakPolarHBondContact O-CB 3.31Å; E791-K794 PolarHBondContact O-N 2.82Å; E791-K794 VanDerWaalsContact O-N 3.08Å; E791-K794 IonicContact OE1-NZ 3.87Å; E791-K794 PolarHBondContact OE1-NZ 2.86Å; E791-K794 IonicContact OE2-NZ 3.5Å; L792-K794 PolarHBondContact O-N 3.34Å; L792-K794 VanDerWaalsContact O-N 3.12Å
795	I	39.3	Very low	42	Very low	117 Å²	117	106.7 Å²	106.7	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-93.2	-32.4	-178.4	-67.8	164.1	0	0	0	110.7	E791 L792 P797	E791-I795 WeakPolarHBondContact O-CG1 3.44Å; E791-I795 PolarHBondContact O-N 2.91Å; L792-I795 PolarHBondContact O-N 3.49Å; I795-P797 WeakPolarHBondContact O-CD 3.4Å
796	W	32.8	Very low	42.4	Very low	196 Å²	196	103.7 Å²	103.7	74%	0.742	54%	0.537	S	S	*	.	S	Bend	trans	-121	75.7	-177.2	-141	-63.4	0	0	0	111.4	L792	L792-W796 PolarHBondContact O-N 3.01Å
797	P	39.6	Very low	42.4	Very low	80 Å²	80	104.5 Å²	104.5	52%	0.519	53%	0.532	S	S	.	.			trans	-58	145.9	169.5	27.6	-34.7	0	0	0	109.9	I795 P799	I795-P797 WeakPolarHBondContact O-CD 3.4Å; P797-P799 VanDerWaalsContact O-CD 3.24Å; P797-P799 WeakPolarHBondContact O-CD 3.44Å
798	D	38.6	Very low	42.8	Very low	98 Å²	98	103.6 Å²	103.6	52%	0.524	53%	0.531	S	S	.	.			trans	-54.7	109.9	178.8	170.4	21.9	0	0	0	110.9	S800 K801	D798-S800 PolarHBondContact O-N 3.43Å; D798-S800 VanDerWaalsContact O-N 3.09Å; D798-S800 WeakPolarHBondContact OD1-CB 3.46Å; D798-S800 PolarHBondContact OD1-N 3.38Å; D798-S800 PolarHBondContact OD1-OG 3.38Å; D798-K801 PolarHBondContact O-N 3.24Å
799	P	37.4	Very low	43.2	Very low	53 Å²	53	106.7 Å²	106.7	34%	0.344	54%	0.537	S	S	.	.	H	α-helix	trans	-69	-11.3	-174.6	30.3	-35.9	0	0	0	111.8	P797 K801 E802 I803	P797-P799 VanDerWaalsContact O-CD 3.24Å; P797-P799 WeakPolarHBondContact O-CD 3.44Å; P799-K801 PolarHBondContact O-N 3.17Å; P799-K801 VanDerWaalsContact O-N 3.13Å; P799-E802 PolarHBondContact O-N 2.89Å; P799-E802 VanDerWaalsContact O-N 3.15Å; P799-I803 HydrophobicContact CB-CD1 4.14Å; P799-I803 VanDerWaalsContact O-CB 3.31Å; P799-I803 WeakPolarHBondContact O-CB 3.5Å; P799-I803 WeakPolarHBondContact O-CG1 3.37Å; P799-I803 PolarHBondContact O-N 2.95Å
800	S	37.7	Very low	43.5	Very low	75 Å²	75	107.1 Å²	107.1	52%	0.524	54%	0.537	S	S	.	.	H	α-helix	trans	-54.8	-30.9	173.6	-47.9	0	0	0	0	112.2	D798 A804	D798-S800 PolarHBondContact O-N 3.43Å; D798-S800 VanDerWaalsContact O-N 3.09Å; D798-S800 WeakPolarHBondContact OD1-CB 3.46Å; D798-S800 PolarHBondContact OD1-N 3.38Å; D798-S800 PolarHBondContact OD1-OG 3.38Å; S800-A804 VanDerWaalsContact O-CB 3.25Å; S800-A804 WeakPolarHBondContact O-CB 3.41Å; S800-A804 PolarHBondContact O-N 2.65Å; S800-A804 VanDerWaalsContact O-N 3.14Å
801	K	46	Very low	43.4	Very low	157 Å²	157	109.6 Å²	109.6	68%	0.683	55%	0.545	S	S	*	.	H	α-helix	trans	-77.5	-45.4	174.1	-82	-170.1	173.9	-176	0	113.7	D798 P799 I803 A804 E805	D798-K801 PolarHBondContact O-N 3.24Å; P799-K801 PolarHBondContact O-N 3.17Å; P799-K801 VanDerWaalsContact O-N 3.13Å; K801-I803 VanDerWaalsContact C-N 3.33Å; K801-A804 PolarHBondContact O-N 3.46Å; K801-E805 PolarHBondContact O-N 3.23Å
802	E	45	Very low	43.6	Very low	122 Å²	122	110.7 Å²	110.7	57%	0.57	55%	0.55	S	S	*	*	H	α-helix	trans	-66.6	-37.1	177.6	-71.6	-167.9	139.6	0	0	111.3	P799 E805 I806	P799-E802 PolarHBondContact O-N 2.89Å; P799-E802 VanDerWaalsContact O-N 3.15Å; E802-E805 PolarHBondContact O-N 2.98Å; E802-I806 VanDerWaalsContact O-CB 3.31Å; E802-I806 WeakPolarHBondContact O-CB 3.35Å; E802-I806 WeakPolarHBondContact O-CD1 3.24Å; E802-I806 WeakPolarHBondContact O-CG1 3.41Å; E802-I806 PolarHBondContact O-N 3.17Å
803	I	42	Very low	44.3	Very low	93 Å²	93	110.3 Å²	110.3	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-43.1	173.5	-66.7	165.8	0	0	0	110.4	P799 K801 I806 M807	P799-I803 HydrophobicContact CB-CD1 4.14Å; P799-I803 VanDerWaalsContact O-CB 3.31Å; P799-I803 WeakPolarHBondContact O-CB 3.5Å; P799-I803 WeakPolarHBondContact O-CG1 3.37Å; P799-I803 PolarHBondContact O-N 2.95Å; K801-I803 VanDerWaalsContact C-N 3.33Å; I803-I806 PolarHBondContact O-N 3.47Å; I803-M807 HydrophobicContact CG2-SD 4.19Å; I803-M807 WeakPolarHBondContact O-CG 3.5Å; I803-M807 PolarHBondContact O-N 3.14Å
804	A	47.7	Very low	44.8	Very low	47 Å²	47	109.7 Å²	109.7	39%	0.388	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-41.5	174.1	0	0	0	0	0	112.5	S800 K801 M807 L808	S800-A804 VanDerWaalsContact O-CB 3.25Å; S800-A804 WeakPolarHBondContact O-CB 3.41Å; S800-A804 PolarHBondContact O-N 2.65Å; S800-A804 VanDerWaalsContact O-N 3.14Å; K801-A804 PolarHBondContact O-N 3.46Å; A804-M807 PolarHBondContact O-N 3.08Å; A804-L808 WeakPolarHBondContact O-CB 3.22Å; A804-L808 VanDerWaalsContact O-CG 3.23Å; A804-L808 WeakPolarHBondContact O-CG 3.39Å; A804-L808 PolarHBondContact O-N 2.79Å
805	E	52.2	Low	45.1	Very low	120 Å²	120	108 Å²	108	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-67.8	-32.8	174.3	-76.5	-170.1	-166.1	0	0	112.9	K801 E802 R809	K801-E805 PolarHBondContact O-N 3.23Å; E802-E805 PolarHBondContact O-N 2.98Å; E805-R809 WeakPolarHBondContact O-CB 3.22Å; E805-R809 PolarHBondContact O-N 3.49Å
806	I	46	Very low	45.9	Very low	97 Å²	97	107.4 Å²	107.4	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-68.4	-46.1	173.9	-75	160	0	0	0	110.3	E802 I803 R809 Q810	E802-I806 VanDerWaalsContact O-CB 3.31Å; E802-I806 WeakPolarHBondContact O-CB 3.35Å; E802-I806 WeakPolarHBondContact O-CD1 3.24Å; E802-I806 WeakPolarHBondContact O-CG1 3.41Å; E802-I806 PolarHBondContact O-N 3.17Å; I803-I806 PolarHBondContact O-N 3.47Å; I806-R809 CarbonylContact O-C 3.55Å; I806-R809 PolarHBondContact O-N 2.93Å; I806-R809 VanDerWaalsContact O-N 3.16Å; I806-Q810 WeakPolarHBondContact O-CG 3.5Å; I806-Q810 PolarHBondContact O-N 3.42Å
807	M	39.9	Very low	47	Very low	106 Å²	106	104.2 Å²	104.2	52%	0.522	52%	0.522	S	S	.	.	H	α-helix	trans	-64.7	-43.8	177.1	-71.5	179.7	123.8	0	0	111.7	I803 A804 R809 Q810 D811	I803-M807 HydrophobicContact CG2-SD 4.19Å; I803-M807 WeakPolarHBondContact O-CG 3.5Å; I803-M807 PolarHBondContact O-N 3.14Å; A804-M807 PolarHBondContact O-N 3.08Å; M807-R809 VanDerWaalsContact C-N 3.25Å; M807-R809 PolarHBondContact O-N 2.89Å; M807-Q810 WeakPolarHBondContact O-CB 3.42Å; M807-Q810 PolarHBondContact O-N 3.25Å; M807-Q810 VanDerWaalsContact O-N 3.11Å; M807-D811 PolarHBondContact O-N 3.09Å
808	L	51.9	Low	47.8	Very low	112 Å²	112	104.9 Å²	104.9	59%	0.586	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-31.3	172.4	-72.5	168.3	0	0	0	112.6	A804 D811 E812	A804-L808 WeakPolarHBondContact O-CB 3.22Å; A804-L808 VanDerWaalsContact O-CG 3.23Å; A804-L808 WeakPolarHBondContact O-CG 3.39Å; A804-L808 PolarHBondContact O-N 2.79Å; L808-D811 PolarHBondContact O-N 2.83Å; L808-E812 PolarHBondContact O-N 2.61Å
809	R	50.6	Low	49	Very low	143 Å²	143	104.1 Å²	104.1	54%	0.54	51%	0.513	S	S	.	.	H	α-helix	trans	-75.1	-30.3	174	-167.2	174.9	-60.2	173.4	7.8	112.4	E805 I806 M807 E812 D813	E805-R809 WeakPolarHBondContact O-CB 3.22Å; E805-R809 PolarHBondContact O-N 3.49Å; I806-R809 CarbonylContact O-C 3.55Å; I806-R809 PolarHBondContact O-N 2.93Å; I806-R809 VanDerWaalsContact O-N 3.16Å; M807-R809 VanDerWaalsContact C-N 3.25Å; M807-R809 PolarHBondContact O-N 2.89Å; R809-E812 PolarHBondContact O-N 3.28Å; R809-D813 WeakPolarHBondContact O-CB 3.03Å; R809-D813 PolarHBondContact O-N 2.76Å
810	Q	46.6	Very low	50.3	Low	123 Å²	123	106.3 Å²	106.3	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-65.5	-40.8	169	-70.1	-173.3	-96.4	0	0	111.1	I806 M807 D813 E814	I806-Q810 WeakPolarHBondContact O-CG 3.5Å; I806-Q810 PolarHBondContact O-N 3.42Å; M807-Q810 WeakPolarHBondContact O-CB 3.42Å; M807-Q810 PolarHBondContact O-N 3.25Å; M807-Q810 VanDerWaalsContact O-N 3.11Å; Q810-D813 PolarHBondContact O-N 3.35Å; Q810-E814 WeakPolarHBondContact O-CB 3.41Å; Q810-E814 PolarHBondContact O-N 3.29Å
811	D	46.3	Very low	51.7	Low	108 Å²	108	107.2 Å²	107.2	58%	0.578	52%	0.52	S	S	*	.	H	α-helix	trans	-60.4	-44.1	170	-83.6	-24.9	0	0	0	111.9	M807 L808 D813 E814 E815	M807-D811 PolarHBondContact O-N 3.09Å; L808-D811 PolarHBondContact O-N 2.83Å; D811-D813 PolarHBondContact O-N 2.79Å; D811-E814 PolarHBondContact O-N 2.72Å; D811-E815 WeakPolarHBondContact O-CB 3.4Å; D811-E815 PolarHBondContact O-N 2.83Å
812	E	52.1	Low	52.6	Low	116 Å²	116	105.6 Å²	105.6	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-37.4	175.9	-77.7	-163.2	165.6	0	0	113.3	L808 R809 E815 K816	L808-E812 PolarHBondContact O-N 2.61Å; R809-E812 PolarHBondContact O-N 3.28Å; E812-E815 PolarHBondContact O-N 2.97Å; E812-K816 WeakPolarHBondContact O-CG 3.41Å; E812-K816 PolarHBondContact O-N 2.6Å
813	D	51	Low	53.8	Low	74 Å²	74	107.7 Å²	107.7	40%	0.396	52%	0.52	S	S	.	.	H	α-helix	trans	-77	-33.7	178.7	-75.9	-28.7	0	0	0	111.7	R809 Q810 D811 K816 E817	R809-D813 WeakPolarHBondContact O-CB 3.03Å; R809-D813 PolarHBondContact O-N 2.76Å; Q810-D813 PolarHBondContact O-N 3.35Å; D811-D813 PolarHBondContact O-N 2.79Å; D813-K816 WeakPolarHBondContact O-CB 3.35Å; D813-K816 PolarHBondContact O-N 2.8Å; D813-K816 WeakPolarHBondContact OD1-CD 3.19Å; D813-K816 IonicContact OD1-NZ 2.58Å; D813-K816 PolarHBondContact OD1-NZ 3.05Å; D813-E817 WeakPolarHBondContact O-CG 3.38Å; D813-E817 PolarHBondContact O-N 3Å
814	E	50.9	Low	55.1	Low	126 Å²	126	107.5 Å²	107.5	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-37.3	164.9	-79.8	-156.4	-169.2	0	0	111.7	Q810 D811 K816 E817 N818	Q810-E814 WeakPolarHBondContact O-CB 3.41Å; Q810-E814 PolarHBondContact O-N 3.29Å; D811-E814 PolarHBondContact O-N 2.72Å; E814-K816 VanDerWaalsContact C-N 3.33Å; E814-E817 PolarHBondContact O-N 2.84Å; E814-N818 VanDerWaalsContact O-CB 3.31Å; E814-N818 WeakPolarHBondContact O-CB 3.48Å; E814-N818 PolarHBondContact O-N 2.92Å; E814-N818 PolarHBondContact O-ND2 3.08Å
815	E	54.1	Low	56.3	Low	105 Å²	105	106 Å²	106	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-68.1	-34	174.5	-150.2	-145.3	170.9	0	0	111.5	D811 E812 K819	D811-E815 WeakPolarHBondContact O-CB 3.4Å; D811-E815 PolarHBondContact O-N 2.83Å; E812-E815 PolarHBondContact O-N 2.97Å; E815-K819 WeakPolarHBondContact O-CB 3.46Å; E815-K819 WeakPolarHBondContact O-CD 3.32Å; E815-K819 VanDerWaalsContact O-CG 3.22Å; E815-K819 WeakPolarHBondContact O-CG 3.38Å; E815-K819 PolarHBondContact O-N 3.24Å; E815-K819 WeakPolarHBondContact OE1-CE 3.41Å; E815-K819 IonicContact OE1-NZ 3.07Å; E815-K819 PolarHBondContact OE1-NZ 2.77Å; E815-K819 IonicContact OE2-NZ 2.69Å; E815-K819 PolarHBondContact OE2-NZ 2.82Å
816	K	55.4	Low	57.5	Low	104 Å²	104	105.1 Å²	105.1	45%	0.452	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-46.4	170.1	-75	174.5	-153.3	126.8	0	111.8	E812 D813 E814 K819 L820	E812-K816 WeakPolarHBondContact O-CG 3.41Å; E812-K816 PolarHBondContact O-N 2.6Å; D813-K816 WeakPolarHBondContact O-CB 3.35Å; D813-K816 PolarHBondContact O-N 2.8Å; D813-K816 WeakPolarHBondContact OD1-CD 3.19Å; D813-K816 IonicContact OD1-NZ 2.58Å; D813-K816 PolarHBondContact OD1-NZ 3.05Å; E814-K816 VanDerWaalsContact C-N 3.33Å; K816-K819 CarbonylContact O-C 3.58Å; K816-K819 PolarHBondContact O-N 2.8Å; K816-L820 WeakPolarHBondContact O-CB 3.3Å; K816-L820 PolarHBondContact O-N 2.82Å
817	E	55.5	Low	58.8	Low	130 Å²	130	107.2 Å²	107.2	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-63.2	-42.9	176.9	-71.9	-147.6	147	0	0	111.2	D813 E814 K819 L820 I821	D813-E817 WeakPolarHBondContact O-CG 3.38Å; D813-E817 PolarHBondContact O-N 3Å; E814-E817 PolarHBondContact O-N 2.84Å; E817-K819 VanDerWaalsContact C-N 3.35Å; E817-K819 PolarHBondContact O-N 3.42Å; E817-L820 CarbonylContact O-C 3.57Å; E817-L820 WeakPolarHBondContact O-CA 3.3Å; E817-L820 WeakPolarHBondContact O-CB 3.35Å; E817-L820 PolarHBondContact O-N 2.97Å; E817-L820 VanDerWaalsContact O-N 3.09Å; E817-I821 WeakPolarHBondContact O-CB 3.46Å; E817-I821 WeakPolarHBondContact O-CD1 3.07Å; E817-I821 VanDerWaalsContact O-CG1 3.22Å; E817-I821 WeakPolarHBondContact O-CG1 3.05Å; E817-I821 PolarHBondContact O-N 2.94Å
818	N	56.9	Low	60.4	Low	93 Å²	93	104.3 Å²	104.3	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-39.5	173.9	-81.7	-70.2	0	0	0	112.4	E814 I821 M822	E814-N818 VanDerWaalsContact O-CB 3.31Å; E814-N818 WeakPolarHBondContact O-CB 3.48Å; E814-N818 PolarHBondContact O-N 2.92Å; E814-N818 PolarHBondContact O-ND2 3.08Å; N818-I821 PolarHBondContact O-N 2.88Å; N818-M822 PolarHBondContact O-N 3.25Å
819	K	64	Low	61.6	Low	83 Å²	83	103.5 Å²	103.5	36%	0.361	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-41.3	170.7	-76.4	164.2	-176.6	166.5	0	111.7	E815 K816 E817 M822 Y823	E815-K819 WeakPolarHBondContact O-CB 3.46Å; E815-K819 WeakPolarHBondContact O-CD 3.32Å; E815-K819 VanDerWaalsContact O-CG 3.22Å; E815-K819 WeakPolarHBondContact O-CG 3.38Å; E815-K819 PolarHBondContact O-N 3.24Å; E815-K819 WeakPolarHBondContact OE1-CE 3.41Å; E815-K819 IonicContact OE1-NZ 3.07Å; E815-K819 PolarHBondContact OE1-NZ 2.77Å; E815-K819 IonicContact OE2-NZ 2.69Å; E815-K819 PolarHBondContact OE2-NZ 2.82Å; K816-K819 CarbonylContact O-C 3.58Å; K816-K819 PolarHBondContact O-N 2.8Å; E817-K819 VanDerWaalsContact C-N 3.35Å; E817-K819 PolarHBondContact O-N 3.42Å; K819-M822 WeakPolarHBondContact O-CB 3.36Å; K819-M822 PolarHBondContact O-N 2.88Å; K819-Y823 HydrophobicContact CB-CE2 4.4Å; K819-Y823 WeakPolarHBondContact O-CD2 3.27Å; K819-Y823 PolarHBondContact O-N 3.27Å
820	L	65.8	Low	62.9	Low	98 Å²	98	99.5 Å²	99.5	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-64.4	-41.7	177.2	-146	80.4	0	0	0	111.5	K816 E817 M822 Y823 F824	K816-L820 WeakPolarHBondContact O-CB 3.3Å; K816-L820 PolarHBondContact O-N 2.82Å; E817-L820 CarbonylContact O-C 3.57Å; E817-L820 WeakPolarHBondContact O-CA 3.3Å; E817-L820 WeakPolarHBondContact O-CB 3.35Å; E817-L820 PolarHBondContact O-N 2.97Å; E817-L820 VanDerWaalsContact O-N 3.09Å; L820-M822 VanDerWaalsContact C-N 3.35Å; L820-Y823 PolarHBondContact O-N 2.82Å; L820-F824 WeakPolarHBondContact O-CB 3.22Å; L820-F824 PolarHBondContact O-N 3.49Å
821	I	65.8	Low	64.2	Low	95 Å²	95	98.2 Å²	98.2	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-65.3	-36.8	174.2	-69.6	163.4	0	0	0	110.8	E817 N818 G825	E817-I821 WeakPolarHBondContact O-CB 3.46Å; E817-I821 WeakPolarHBondContact O-CD1 3.07Å; E817-I821 VanDerWaalsContact O-CG1 3.22Å; E817-I821 WeakPolarHBondContact O-CG1 3.05Å; E817-I821 PolarHBondContact O-N 2.94Å; N818-I821 PolarHBondContact O-N 2.88Å; I821-G825 PolarHBondContact O-N 3.48Å
822	M	65.8	Low	65.6	Low	122 Å²	122	98.2 Å²	98.2	60%	0.601	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-47	169.5	-101.6	-149.9	-61.7	0	0	112	N818 K819 L820 G825 I826	N818-M822 PolarHBondContact O-N 3.25Å; K819-M822 WeakPolarHBondContact O-CB 3.36Å; K819-M822 PolarHBondContact O-N 2.88Å; L820-M822 VanDerWaalsContact C-N 3.35Å; M822-G825 CarbonylContact O-C 3.52Å; M822-G825 WeakPolarHBondContact O-CA 3.37Å; M822-G825 PolarHBondContact O-N 2.86Å; M822-G825 VanDerWaalsContact O-N 3.08Å; M822-I826 WeakPolarHBondContact O-CG1 3.27Å; M822-I826 PolarHBondContact O-N 2.69Å
823	Y	70.6	Confident	67	Low	167 Å²	167	99.3 Å²	99.3	66%	0.655	49%	0.488	S	S	*	.	H	α-helix	trans	-64.4	-42.4	178	-70.8	-57.6	0	0	0	112	K819 L820 G825 I826 Y827	K819-Y823 HydrophobicContact CB-CE2 4.4Å; K819-Y823 WeakPolarHBondContact O-CD2 3.27Å; K819-Y823 PolarHBondContact O-N 3.27Å; L820-Y823 PolarHBondContact O-N 2.82Å; Y823-G825 VanDerWaalsContact C-N 3.27Å; Y823-G825 PolarHBondContact O-N 2.86Å; Y823-I826 PolarHBondContact O-N 2.83Å; Y823-Y827 VanDerWaalsContact O-CB 3.24Å; Y823-Y827 WeakPolarHBondContact O-CB 3.42Å; Y823-Y827 PolarHBondContact O-N 3.44Å
824	F	69.1	Low	68.3	Low	88 Å²	88	100.1 Å²	100.1	39%	0.386	50%	0.496	S	S	.	.	H	α-helix	trans	-61.8	-34.7	169.7	-104.7	-88.2	0	0	0	112.1	N90 L820 A828	N90-F824 HydrophobicContact CB-CZ 4.48Å; L820-F824 WeakPolarHBondContact O-CB 3.22Å; L820-F824 PolarHBondContact O-N 3.49Å; F824-A828 WeakPolarHBondContact O-CB 3.12Å; F824-A828 PolarHBondContact O-N 2.84Å
825	G	72.1	Confident	69.6	Low	16 Å²	16	97.1 Å²	97.1	17%	0.165	49%	0.488	C	S	.	.	H	α-helix	trans	-62.9	-50.2	172.7	0	0	0	0	0	112.5	I821 M822 Y823 A828 V829	I821-G825 PolarHBondContact O-N 3.48Å; M822-G825 CarbonylContact O-C 3.52Å; M822-G825 WeakPolarHBondContact O-CA 3.37Å; M822-G825 PolarHBondContact O-N 2.86Å; M822-G825 VanDerWaalsContact O-N 3.08Å; Y823-G825 VanDerWaalsContact C-N 3.27Å; Y823-G825 PolarHBondContact O-N 2.86Å; G825-A828 PolarHBondContact O-N 3.48Å; G825-V829 WeakPolarHBondContact O-CB 3.18Å; G825-V829 VanDerWaalsContact O-CG2 3.27Å; G825-V829 WeakPolarHBondContact O-CG2 3.21Å; G825-V829 PolarHBondContact O-N 2.65Å
826	I	76.6	Confident	70.8	Confident	102 Å²	102	96.4 Å²	96.4	52%	0.523	49%	0.486	S	S	.	.	H	α-helix	trans	-64.2	-42.1	177.6	-66.8	164.3	0	0	0	110.5	M822 Y823 V829 S830	M822-I826 WeakPolarHBondContact O-CG1 3.27Å; M822-I826 PolarHBondContact O-N 2.69Å; Y823-I826 PolarHBondContact O-N 2.83Å; I826-V829 PolarHBondContact O-N 3.29Å; I826-S830 VanDerWaalsContact O-CB 3.27Å; I826-S830 WeakPolarHBondContact O-CB 3.27Å; I826-S830 PolarHBondContact O-N 3.32Å; I826-S830 PolarHBondContact O-OG 2.82Å
827	Y	73.8	Confident	71.8	Confident	140 Å²	140	94.4 Å²	94.4	55%	0.549	49%	0.485	S	S	.	.	H	α-helix	trans	-63.5	-48.3	176.1	-176.5	-104.8	0	0	0	111.7	Y823 V829 S830 H831	Y823-Y827 VanDerWaalsContact O-CB 3.24Å; Y823-Y827 WeakPolarHBondContact O-CB 3.42Å; Y823-Y827 PolarHBondContact O-N 3.44Å; Y827-V829 PolarHBondContact O-N 2.96Å; Y827-S830 WeakPolarHBondContact O-CB 3.45Å; Y827-S830 PolarHBondContact O-N 3.21Å; Y827-H831 AromaticContact CD1-CD2 3.95Å; Y827-H831 AromaticContact CE1-CD2 3.41Å; Y827-H831 VanDerWaalsContact CE1-CD2 3.41Å; Y827-H831 WeakPolarHBondContact CE1-CD2 3.46Å; Y827-H831 AromaticContact CE1-NE2 3.61Å; Y827-H831 AromaticContact CE2-CD2 3.96Å; Y827-H831 AromaticContact CE2-NE2 3.55Å; Y827-H831 AromaticContact CZ-CD2 3.44Å; Y827-H831 VanDerWaalsContact CZ-CD2 3.44Å; Y827-H831 AromaticContact CZ-NE2 3.1Å; Y827-H831 PolarHBondContact O-N 3.46Å; Y827-H831 PolarHBondContact OH-NE2 2.78Å
828	A	73.1	Confident	72.6	Confident	45 Å²	45	96.4 Å²	96.4	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-38.3	177	0	0	0	0	0	112.4	F824 G825 L832	F824-A828 WeakPolarHBondContact O-CB 3.12Å; F824-A828 PolarHBondContact O-N 2.84Å; G825-A828 PolarHBondContact O-N 3.48Å; A828-L832 WeakPolarHBondContact O-CB 3.24Å; A828-L832 PolarHBondContact O-N 2.84Å
829	V	77.8	Confident	73.4	Confident	95 Å²	95	96 Å²	96	58%	0.576	48%	0.484	S	S	*	.	H	α-helix	trans	-67	-39.7	173	168.3	0	0	0	0	110.9	G825 I826 Y827 L832 F833	G825-V829 WeakPolarHBondContact O-CB 3.18Å; G825-V829 VanDerWaalsContact O-CG2 3.27Å; G825-V829 WeakPolarHBondContact O-CG2 3.21Å; G825-V829 PolarHBondContact O-N 2.65Å; I826-V829 PolarHBondContact O-N 3.29Å; Y827-V829 PolarHBondContact O-N 2.96Å; V829-L832 PolarHBondContact O-N 2.84Å; V829-F833 WeakPolarHBondContact O-CB 3.13Å; V829-F833 PolarHBondContact O-N 2.85Å
830	S	77	Confident	73.8	Confident	59 Å²	59	99.2 Å²	99.2	41%	0.413	49%	0.494	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.8	-59.6	0	0	0	0	111.5	I826 Y827 F833 V834	I826-S830 VanDerWaalsContact O-CB 3.27Å; I826-S830 WeakPolarHBondContact O-CB 3.27Å; I826-S830 PolarHBondContact O-N 3.32Å; I826-S830 PolarHBondContact O-OG 2.82Å; Y827-S830 WeakPolarHBondContact O-CB 3.45Å; Y827-S830 PolarHBondContact O-N 3.21Å; S830-F833 WeakPolarHBondContact O-CB 3.4Å; S830-F833 PolarHBondContact O-N 3.21Å; S830-V834 WeakPolarHBondContact O-CG2 3.16Å; S830-V834 PolarHBondContact O-N 3.36Å
831	H	74.5	Confident	73.9	Confident	96 Å²	96	104.1 Å²	104.1	44%	0.444	51%	0.506	S	S	.	.	H	α-helix	trans	-69.1	-35	174.4	-84.9	-28.9	0	0	0	113.1	Y827 F833 V834 C835	Y827-H831 AromaticContact CD1-CD2 3.95Å; Y827-H831 AromaticContact CE1-CD2 3.41Å; Y827-H831 VanDerWaalsContact CE1-CD2 3.41Å; Y827-H831 WeakPolarHBondContact CE1-CD2 3.46Å; Y827-H831 AromaticContact CE1-NE2 3.61Å; Y827-H831 AromaticContact CE2-CD2 3.96Å; Y827-H831 AromaticContact CE2-NE2 3.55Å; Y827-H831 AromaticContact CZ-CD2 3.44Å; Y827-H831 VanDerWaalsContact CZ-CD2 3.44Å; Y827-H831 AromaticContact CZ-NE2 3.1Å; Y827-H831 PolarHBondContact O-N 3.46Å; Y827-H831 PolarHBondContact OH-NE2 2.78Å; H831-F833 VanDerWaalsContact C-N 3.27Å; H831-F833 PolarHBondContact O-N 3Å; H831-V834 PolarHBondContact O-N 3.44Å; H831-C835 WeakPolarHBondContact O-CB 3.37Å; H831-C835 PolarHBondContact O-N 3.37Å
832	L	75.8	Confident	73.9	Confident	109 Å²	109	104 Å²	104	57%	0.571	51%	0.505	S	S	*	.	H	α-helix	trans	-62.2	-39.5	170.1	-165.1	79.7	0	0	0	110.3	A828 V829 C835 I836	A828-L832 WeakPolarHBondContact O-CB 3.24Å; A828-L832 PolarHBondContact O-N 2.84Å; V829-L832 PolarHBondContact O-N 2.84Å; L832-C835 PolarHBondContact O-N 3.41Å; L832-I836 HydrophobicContact CD2-CD1 4.22Å; L832-I836 HydrophobicContact CG-CD1 3.94Å; L832-I836 VanDerWaalsContact O-CB 3.27Å; L832-I836 WeakPolarHBondContact O-CB 3.49Å; L832-I836 WeakPolarHBondContact O-CD1 3.39Å; L832-I836 WeakPolarHBondContact O-CG1 3.41Å; L832-I836 PolarHBondContact O-N 2.83Å
833	F	80.9	Confident	73.8	Confident	138 Å²	138	104.2 Å²	104.2	61%	0.605	51%	0.509	S	S	*	.	H	α-helix	trans	-69	-42.3	176.9	-150.1	-84.3	0	0	0	112.1	V829 S830 H831 I836 C837	V829-F833 WeakPolarHBondContact O-CB 3.13Å; V829-F833 PolarHBondContact O-N 2.85Å; S830-F833 WeakPolarHBondContact O-CB 3.4Å; S830-F833 PolarHBondContact O-N 3.21Å; H831-F833 VanDerWaalsContact C-N 3.27Å; H831-F833 PolarHBondContact O-N 3Å; F833-I836 PolarHBondContact O-N 3.38Å; F833-C837 VanDerWaalsContact O-CB 3.31Å; F833-C837 WeakPolarHBondContact O-CB 3.27Å; F833-C837 PolarHBondContact O-N 2.78Å; F833-C837 PolarHBondContact O-SG 3.23Å
834	V	79.5	Confident	73.3	Confident	92 Å²	92	104.4 Å²	104.4	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-44.1	172.4	170.2	0	0	0	0	110.7	S830 H831 C837 W838	S830-V834 WeakPolarHBondContact O-CG2 3.16Å; S830-V834 PolarHBondContact O-N 3.36Å; H831-V834 PolarHBondContact O-N 3.44Å; V834-C837 CarbonylContact O-C 3.51Å; V834-C837 WeakPolarHBondContact O-CB 3.26Å; V834-C837 PolarHBondContact O-N 2.8Å; V834-W838 WeakPolarHBondContact O-CB 3.49Å; V834-W838 PolarHBondContact O-N 3.3Å
835	C	76.8	Confident	72.7	Confident	62 Å²	62	101.6 Å²	101.6	42%	0.419	50%	0.504	S	S	.	.	H	α-helix	trans	-68.2	-39.3	178.8	-167.7	0	0	0	0	111.9	H831 L832 W838 I839	H831-C835 WeakPolarHBondContact O-CB 3.37Å; H831-C835 PolarHBondContact O-N 3.37Å; L832-C835 PolarHBondContact O-N 3.41Å; C835-W838 PolarHBondContact O-N 3.29Å; C835-I839 WeakPolarHBondContact O-CB 3.31Å; C835-I839 VanDerWaalsContact O-CG1 3.26Å; C835-I839 WeakPolarHBondContact O-CG1 3.35Å; C835-I839 PolarHBondContact O-N 2.84Å
836	I	79.5	Confident	72.1	Confident	90 Å²	90	104.8 Å²	104.8	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-45.8	170.5	-74	165.1	0	0	0	110.2	L832 F833 W838 I839 W840	L832-I836 HydrophobicContact CD2-CD1 4.22Å; L832-I836 HydrophobicContact CG-CD1 3.94Å; L832-I836 VanDerWaalsContact O-CB 3.27Å; L832-I836 WeakPolarHBondContact O-CB 3.49Å; L832-I836 WeakPolarHBondContact O-CD1 3.39Å; L832-I836 WeakPolarHBondContact O-CG1 3.41Å; L832-I836 PolarHBondContact O-N 2.83Å; F833-I836 PolarHBondContact O-N 3.38Å; I836-W838 VanDerWaalsContact C-N 3.28Å; I836-W838 PolarHBondContact O-N 3.41Å; I836-I839 PolarHBondContact O-N 3.45Å; I836-W840 WeakPolarHBondContact O-CB 3.23Å; I836-W840 PolarHBondContact O-N 2.95Å
837	C	76.9	Confident	71.5	Confident	63 Å²	63	103.9 Å²	103.9	43%	0.426	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-34.9	174.3	-76.7	0	0	0	0	112.3	F833 V834 W841	F833-C837 VanDerWaalsContact O-CB 3.31Å; F833-C837 WeakPolarHBondContact O-CB 3.27Å; F833-C837 PolarHBondContact O-N 2.78Å; F833-C837 PolarHBondContact O-SG 3.23Å; V834-C837 CarbonylContact O-C 3.51Å; V834-C837 WeakPolarHBondContact O-CB 3.26Å; V834-C837 PolarHBondContact O-N 2.8Å; C837-W841 VanDerWaalsContact O-CB 3.3Å; C837-W841 WeakPolarHBondContact O-CB 3.16Å; C837-W841 PolarHBondContact O-N 3.33Å
838	W	73.2	Confident	71	Confident	172 Å²	172	101.6 Å²	101.6	65%	0.652	52%	0.52	S	S	*	.	H	α-helix	trans	-75	-42.2	178	-154.7	63.8	0	0	0	112	V834 C835 I836 W840 W841 I842	V834-W838 WeakPolarHBondContact O-CB 3.49Å; V834-W838 PolarHBondContact O-N 3.3Å; C835-W838 PolarHBondContact O-N 3.29Å; I836-W838 VanDerWaalsContact C-N 3.28Å; I836-W838 PolarHBondContact O-N 3.41Å; W838-W840 VanDerWaalsContact C-N 3.29Å; W838-W840 PolarHBondContact O-N 3.38Å; W838-W841 WeakPolarHBondContact O-CB 3.46Å; W838-W841 PolarHBondContact O-N 2.79Å; W838-I842 HydrophobicContact CD2-CD1 3.88Å; W838-I842 HydrophobicContact CE3-CD1 3.63Å; W838-I842 HydrophobicContact CH2-CD1 4.23Å; W838-I842 HydrophobicContact CZ2-CD1 4.45Å; W838-I842 HydrophobicContact CZ3-CD1 3.82Å; W838-I842 WeakPolarHBondContact O-CB 3.3Å; W838-I842 VanDerWaalsContact O-CG1 3.27Å; W838-I842 WeakPolarHBondContact O-CG1 3.46Å; W838-I842 PolarHBondContact O-N 3.44Å
839	I	72.6	Confident	70.7	Confident	83 Å²	83	105.1 Å²	105.1	43%	0.426	53%	0.529	S	S	.	.	H	α-helix	trans	-62.2	-37.5	170.4	-69.8	165.4	0	0	0	110.5	C835 I836 I842 N843	C835-I839 WeakPolarHBondContact O-CB 3.31Å; C835-I839 VanDerWaalsContact O-CG1 3.26Å; C835-I839 WeakPolarHBondContact O-CG1 3.35Å; C835-I839 PolarHBondContact O-N 2.84Å; I836-I839 PolarHBondContact O-N 3.45Å; I839-I842 PolarHBondContact O-N 2.82Å; I839-N843 VanDerWaalsContact O-CB 3.23Å; I839-N843 WeakPolarHBondContact O-CB 3.27Å; I839-N843 PolarHBondContact O-N 3.43Å; I839-N843 PolarHBondContact O-ND2 2.83Å
840	W	72.2	Confident	70.2	Confident	151 Å²	151	106.4 Å²	106.4	57%	0.572	53%	0.527	S	S	*	.	H	α-helix	trans	-73.2	-32.2	176	-163.4	82.7	0	0	0	112.4	I836 W838 R844	I836-W840 WeakPolarHBondContact O-CB 3.23Å; I836-W840 PolarHBondContact O-N 2.95Å; W838-W840 VanDerWaalsContact C-N 3.29Å; W838-W840 PolarHBondContact O-N 3.38Å; W840-R844 VanDerWaalsContact CZ2-NE 3.33Å; W840-R844 WeakPolarHBondContact O-CB 3.22Å; W840-R844 WeakPolarHBondContact O-CG 3.36Å; W840-R844 PolarHBondContact O-N 2.81Å
841	W	69.5	Low	69.9	Low	201 Å²	201	108 Å²	108	76%	0.761	53%	0.528	S	S	*	.	H	α-helix	trans	-66.7	-43.1	169.4	-170.5	-59.8	0	0	0	110.9	C837 W838 R844 G845	C837-W841 VanDerWaalsContact O-CB 3.3Å; C837-W841 WeakPolarHBondContact O-CB 3.16Å; C837-W841 PolarHBondContact O-N 3.33Å; W838-W841 WeakPolarHBondContact O-CB 3.46Å; W838-W841 PolarHBondContact O-N 2.79Å; W841-R844 CarbonylContact O-C 3.57Å; W841-R844 PolarHBondContact O-N 3.23Å; W841-G845 WeakPolarHBondContact O-CA 3.42Å; W841-G845 PolarHBondContact O-N 3.25Å
842	I	64.4	Low	69.9	Low	92 Å²	92	110 Å²	110	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-46.2	176.7	-70.5	163.7	0	0	0	110.7	W838 I839 R844 G845	W838-I842 HydrophobicContact CD2-CD1 3.88Å; W838-I842 HydrophobicContact CE3-CD1 3.63Å; W838-I842 HydrophobicContact CH2-CD1 4.23Å; W838-I842 HydrophobicContact CZ2-CD1 4.45Å; W838-I842 HydrophobicContact CZ3-CD1 3.82Å; W838-I842 WeakPolarHBondContact O-CB 3.3Å; W838-I842 VanDerWaalsContact O-CG1 3.27Å; W838-I842 WeakPolarHBondContact O-CG1 3.46Å; W838-I842 PolarHBondContact O-N 3.44Å; I839-I842 PolarHBondContact O-N 2.82Å; I842-R844 VanDerWaalsContact C-N 3.25Å; I842-R844 PolarHBondContact O-N 2.8Å; I842-G845 WeakPolarHBondContact O-CA 3.33Å; I842-G845 PolarHBondContact O-N 2.8Å
843	N	63.5	Low	69.9	Low	127 Å²	127	110 Å²	110	68%	0.679	53%	0.529	S	S	*	.	H	α-helix	trans	-74.4	-10.5	177.9	-69.2	-20	0	0	0	114	I839	I839-N843 VanDerWaalsContact O-CB 3.23Å; I839-N843 WeakPolarHBondContact O-CB 3.27Å; I839-N843 PolarHBondContact O-N 3.43Å; I839-N843 PolarHBondContact O-ND2 2.83Å
844	R	61.5	Low	69.9	Low	172 Å²	172	108 Å²	108	65%	0.649	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.6	164.6	-72.4	-174.6	161.5	-151.5	-3.4	112.9	W840 W841 I842	W840-R844 VanDerWaalsContact CZ2-NE 3.33Å; W840-R844 WeakPolarHBondContact O-CB 3.22Å; W840-R844 WeakPolarHBondContact O-CG 3.36Å; W840-R844 PolarHBondContact O-N 2.81Å; W841-R844 CarbonylContact O-C 3.57Å; W841-R844 PolarHBondContact O-N 3.23Å; I842-R844 VanDerWaalsContact C-N 3.25Å; I842-R844 PolarHBondContact O-N 2.8Å
845	G	56.4	Low	70	Confident	29 Å²	29	109 Å²	109	30%	0.299	53%	0.526	S	S	.	.	S	Bend	trans	-61.8	145.5	173.1	0	0	0	0	0	108.8	W841 I842 D847	W841-G845 WeakPolarHBondContact O-CA 3.42Å; W841-G845 PolarHBondContact O-N 3.25Å; I842-G845 WeakPolarHBondContact O-CA 3.33Å; I842-G845 PolarHBondContact O-N 2.8Å; G845-D847 PolarHBondContact O-N 2.97Å
846	P	59.8	Low	70.2	Confident	83 Å²	83	111.9 Å²	111.9	54%	0.539	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-58.9	129.7	170.2	27.7	-33.4	0	0	0	108.5	P848 E851	P846-P848 WeakPolarHBondContact O-CD 3.5Å; P846-P848 VanDerWaalsContact O-N 3.15Å; P846-E851 VanDerWaalsContact CB-CD 3.47Å; P846-E851 HydrophobicContact CB-CG 3.91Å; P846-E851 VanDerWaalsContact CB-OE1 3.3Å; P846-E851 WeakPolarHBondContact CB-OE1 3.46Å; P846-E851 VanDerWaalsContact CG-CD 3.46Å; P846-E851 HydrophobicContact CG-CG 4.43Å; P846-E851 WeakPolarHBondContact CG-OE1 3.49Å
847	D	62.7	Low	70.3	Confident	83 Å²	83	110.8 Å²	110.8	44%	0.444	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-54.1	116.7	177.4	163.2	-7.4	0	0	0	109.4	G845 E849 K850 E851	G845-D847 PolarHBondContact O-N 2.97Å; D847-E849 PolarHBondContact O-N 3.07Å; D847-E849 WeakPolarHBondContact OD1-CA 3.49Å; D847-E849 WeakPolarHBondContact OD1-CB 3.44Å; D847-E849 PolarHBondContact OD1-N 3.01Å; D847-K850 HydrophobicContact CB-CB 3.72Å; D847-K850 HydrophobicContact CB-CD 4.42Å; D847-K850 VanDerWaalsContact CG-CB 3.41Å; D847-K850 CarbonylContact O-C 3.58Å; D847-K850 WeakPolarHBondContact O-CB 3.18Å; D847-K850 PolarHBondContact O-N 2.89Å; D847-K850 VanDerWaalsContact O-N 3.07Å; D847-K850 PolarHBondContact OD1-N 3.34Å; D847-K850 WeakPolarHBondContact OD2-CB 3.48Å; D847-E851 PolarHBondContact O-N 2.76Å
848	P	64.7	Low	70.7	Confident	91 Å²	91	111.8 Å²	111.8	59%	0.591	53%	0.529	S	S	*	.	H	α-helix	trans	-75	-6.6	-171.2	20.9	-22.7	0	0	0	113.7	P846 R852	P846-P848 WeakPolarHBondContact O-CD 3.5Å; P846-P848 VanDerWaalsContact O-N 3.15Å; P848-R852 WeakPolarHBondContact O-CG 3.3Å; P848-R852 PolarHBondContact O-NE 2.87Å; P848-R852 PolarHBondContact O-NH2 3.3Å
849	E	65.9	Low	71.3	Confident	119 Å²	119	108.6 Å²	108.6	56%	0.556	52%	0.521	S	S	*	.	H	α-helix	trans	-89.2	-36.6	167.5	-167.8	148.8	-136.2	0	0	110.6	D847 R852 Q853	D847-E849 PolarHBondContact O-N 3.07Å; D847-E849 WeakPolarHBondContact OD1-CA 3.49Å; D847-E849 WeakPolarHBondContact OD1-CB 3.44Å; D847-E849 PolarHBondContact OD1-N 3.01Å; E849-R852 PolarHBondContact O-N 2.9Å; E849-Q853 WeakPolarHBondContact O-CG 3.32Å; E849-Q853 PolarHBondContact O-N 3.41Å
850	K	67.3	Low	71.8	Confident	122 Å²	122	110.3 Å²	110.3	53%	0.53	53%	0.527	S	S	.	.	H	α-helix	trans	-71.8	-32.7	172.3	-162.6	171.6	-169.5	170.3	0	113.7	D847 Q853 N854	D847-K850 HydrophobicContact CB-CB 3.72Å; D847-K850 HydrophobicContact CB-CD 4.42Å; D847-K850 VanDerWaalsContact CG-CB 3.41Å; D847-K850 CarbonylContact O-C 3.58Å; D847-K850 WeakPolarHBondContact O-CB 3.18Å; D847-K850 PolarHBondContact O-N 2.89Å; D847-K850 VanDerWaalsContact O-N 3.07Å; D847-K850 PolarHBondContact OD1-N 3.34Å; D847-K850 WeakPolarHBondContact OD2-CB 3.48Å; K850-Q853 PolarHBondContact O-N 3.21Å; K850-N854 WeakPolarHBondContact O-CB 3.36Å; K850-N854 PolarHBondContact O-N 3.44Å; K850-N854 PolarHBondContact O-ND2 3.21Å
851	E	70.7	Confident	72.5	Confident	93 Å²	93	107.5 Å²	107.5	44%	0.435	52%	0.519	S	S	.	.	H	α-helix	trans	-68.5	-38.3	168.6	-98.7	-173.2	168.9	0	0	111.7	P846 D847 N854 L855	P846-E851 VanDerWaalsContact CB-CD 3.47Å; P846-E851 HydrophobicContact CB-CG 3.91Å; P846-E851 VanDerWaalsContact CB-OE1 3.3Å; P846-E851 WeakPolarHBondContact CB-OE1 3.46Å; P846-E851 VanDerWaalsContact CG-CD 3.46Å; P846-E851 HydrophobicContact CG-CG 4.43Å; P846-E851 WeakPolarHBondContact CG-OE1 3.49Å; D847-E851 PolarHBondContact O-N 2.76Å; E851-N854 PolarHBondContact O-N 3.49Å; E851-L855 WeakPolarHBondContact O-CB 3.37Å; E851-L855 WeakPolarHBondContact O-CG 3.39Å; E851-L855 PolarHBondContact O-N 2.6Å
852	R	74.6	Confident	73.4	Confident	137 Å²	137	103.4 Å²	103.4	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-44.5	170.3	-85.8	178.7	-71.9	154.7	5.8	111.8	P848 E849 N854 L855 E856	P848-R852 WeakPolarHBondContact O-CG 3.3Å; P848-R852 PolarHBondContact O-NE 2.87Å; P848-R852 PolarHBondContact O-NH2 3.3Å; E849-R852 PolarHBondContact O-N 2.9Å; R852-N854 VanDerWaalsContact C-N 3.35Å; R852-N854 PolarHBondContact O-N 2.8Å; R852-L855 PolarHBondContact O-N 2.82Å; R852-E856 WeakPolarHBondContact O-CB 3.33Å; R852-E856 WeakPolarHBondContact O-CG 3.43Å; R852-E856 PolarHBondContact O-N 3.23Å
853	Q	75.9	Confident	74.4	Confident	110 Å²	110	105.2 Å²	105.2	51%	0.514	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-39.8	173.6	-71.9	171.7	13.1	0	0	112.4	E849 K850 V857	E849-Q853 WeakPolarHBondContact O-CG 3.32Å; E849-Q853 PolarHBondContact O-N 3.41Å; K850-Q853 PolarHBondContact O-N 3.21Å; Q853-V857 VanDerWaalsContact O-CB 3.29Å; Q853-V857 WeakPolarHBondContact O-CB 3.29Å; Q853-V857 WeakPolarHBondContact O-CG2 3.43Å; Q853-V857 PolarHBondContact O-N 3.43Å
854	N	80	Confident	75.3	Confident	97 Å²	97	104.1 Å²	104.1	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-37.8	174.8	-73.3	-28.1	0	0	0	112.2	K850 E851 R852 V857 E858	K850-N854 WeakPolarHBondContact O-CB 3.36Å; K850-N854 PolarHBondContact O-N 3.44Å; K850-N854 PolarHBondContact O-ND2 3.21Å; E851-N854 PolarHBondContact O-N 3.49Å; R852-N854 VanDerWaalsContact C-N 3.35Å; R852-N854 PolarHBondContact O-N 2.8Å; N854-V857 PolarHBondContact O-N 3.47Å; N854-E858 PolarHBondContact O-N 2.77Å
855	L	81.6	Confident	76.5	Confident	112 Å²	112	101.2 Å²	101.2	59%	0.586	50%	0.495	S	S	*	.	H	α-helix	trans	-68.3	-43.6	174.8	-78.1	164	0	0	0	111.6	E851 R852 V857 E858 E859	E851-L855 WeakPolarHBondContact O-CB 3.37Å; E851-L855 WeakPolarHBondContact O-CG 3.39Å; E851-L855 PolarHBondContact O-N 2.6Å; R852-L855 PolarHBondContact O-N 2.82Å; L855-V857 VanDerWaalsContact C-N 3.3Å; L855-V857 PolarHBondContact O-N 2.93Å; L855-E858 PolarHBondContact O-N 2.82Å; L855-E859 WeakPolarHBondContact O-CB 3.22Å; L855-E859 WeakPolarHBondContact O-CG 3.27Å; L855-E859 PolarHBondContact O-N 3.31Å
856	E	80.9	Confident	77.9	Confident	123 Å²	123	106.7 Å²	106.7	58%	0.575	51%	0.513	S	S	*	.	H	α-helix	trans	-60.1	-40.4	173.1	-74.6	171.4	-175.3	0	0	111.3	R852 E860	R852-E856 WeakPolarHBondContact O-CB 3.33Å; R852-E856 WeakPolarHBondContact O-CG 3.43Å; R852-E856 PolarHBondContact O-N 3.23Å; E856-E860 VanDerWaalsContact O-CB 3.31Å; E856-E860 WeakPolarHBondContact O-CB 3.22Å; E856-E860 PolarHBondContact O-N 2.84Å
857	V	82.8	Confident	78.9	Confident	66 Å²	66	106.4 Å²	106.4	40%	0.4	51%	0.51	S	S	.	.	H	α-helix	trans	-72.3	-35.7	176.7	166	0	0	0	0	112.7	Q853 N854 L855 K861	Q853-V857 VanDerWaalsContact O-CB 3.29Å; Q853-V857 WeakPolarHBondContact O-CB 3.29Å; Q853-V857 WeakPolarHBondContact O-CG2 3.43Å; Q853-V857 PolarHBondContact O-N 3.43Å; N854-V857 PolarHBondContact O-N 3.47Å; L855-V857 VanDerWaalsContact C-N 3.3Å; L855-V857 PolarHBondContact O-N 2.93Å; V857-K861 HydrophobicContact CG1-CD 4.33Å; V857-K861 WeakPolarHBondContact O-CB 3.46Å; V857-K861 WeakPolarHBondContact O-CD 3.32Å; V857-K861 WeakPolarHBondContact O-CG 3.31Å; V857-K861 PolarHBondContact O-N 2.7Å
858	E	85.4	Confident	79.6	Confident	85 Å²	85	105.1 Å²	105.1	40%	0.397	51%	0.511	S	S	.	.	H	α-helix	trans	-72.6	-40.9	171.2	-74.6	-56.4	143.5	0	0	111.7	N854 L855 E860 K861 E862	N854-E858 PolarHBondContact O-N 2.77Å; L855-E858 PolarHBondContact O-N 2.82Å; E858-E860 VanDerWaalsContact C-N 3.29Å; E858-E860 PolarHBondContact O-N 3.38Å; E858-K861 CarbonylContact O-C 3.45Å; E858-K861 WeakPolarHBondContact O-CB 3.44Å; E858-K861 PolarHBondContact O-N 2.81Å; E858-K861 VanDerWaalsContact O-N 3.16Å; E858-K861 VanDerWaalsContact OE1-CD 3.27Å; E858-K861 WeakPolarHBondContact OE1-CD 3.31Å; E858-K861 IonicContact OE1-NZ 2.77Å; E858-K861 PolarHBondContact OE1-NZ 3.33Å; E858-K861 WeakPolarHBondContact OE2-CD 3.35Å; E858-E862 VanDerWaalsContact O-CG 3.31Å; E858-E862 WeakPolarHBondContact O-CG 3.47Å; E858-E862 PolarHBondContact O-N 2.84Å
859	E	85.7	Confident	80.4	Confident	105 Å²	105	106 Å²	106	49%	0.491	51%	0.507	S	S	.	.	H	α-helix	trans	-59.1	-40	170.3	-76.6	-164	177.5	0	0	111.4	L855 E862 R863	L855-E859 WeakPolarHBondContact O-CB 3.22Å; L855-E859 WeakPolarHBondContact O-CG 3.27Å; L855-E859 PolarHBondContact O-N 3.31Å; E859-E862 PolarHBondContact O-N 3.16Å; E859-R863 VanDerWaalsContact CB-NH2 3.28Å; E859-R863 WeakPolarHBondContact O-CB 3.39Å; E859-R863 WeakPolarHBondContact O-CG 3.5Å; E859-R863 PolarHBondContact O-N 2.9Å; E859-R863 IonicContact OE2-CZ 3.59Å; E859-R863 IonicContact OE2-NH1 3.66Å; E859-R863 PolarHBondContact OE2-NH1 3.44Å; E859-R863 IonicContact OE2-NH2 3.72Å; E859-R863 PolarHBondContact OE2-NH2 2.88Å
860	E	83.1	Confident	80.9	Confident	118 Å²	118	102.3 Å²	102.3	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-67.6	-40.1	175.2	-168.7	175.1	-134.5	0	0	111.2	E856 E858 E862 R863 L864	E856-E860 VanDerWaalsContact O-CB 3.31Å; E856-E860 WeakPolarHBondContact O-CB 3.22Å; E856-E860 PolarHBondContact O-N 2.84Å; E858-E860 VanDerWaalsContact C-N 3.29Å; E858-E860 PolarHBondContact O-N 3.38Å; E860-E862 VanDerWaalsContact C-N 3.33Å; E860-E862 PolarHBondContact O-N 2.75Å; E860-R863 PolarHBondContact O-N 2.74Å; E860-L864 HydrophobicContact CG-CD1 4.11Å; E860-L864 HydrophobicContact CG-CG 4.48Å; E860-L864 VanDerWaalsContact O-CB 3.25Å; E860-L864 WeakPolarHBondContact O-CB 3.23Å; E860-L864 WeakPolarHBondContact O-CG 3.21Å; E860-L864 PolarHBondContact O-N 3.48Å
861	K	86.7	Confident	81.1	Confident	92 Å²	92	101.2 Å²	101.2	40%	0.4	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-37.9	170.4	-74.4	164.4	-171.9	171.9	0	112.2	V857 E858 L864 K865	V857-K861 HydrophobicContact CG1-CD 4.33Å; V857-K861 WeakPolarHBondContact O-CB 3.46Å; V857-K861 WeakPolarHBondContact O-CD 3.32Å; V857-K861 WeakPolarHBondContact O-CG 3.31Å; V857-K861 PolarHBondContact O-N 2.7Å; E858-K861 CarbonylContact O-C 3.45Å; E858-K861 WeakPolarHBondContact O-CB 3.44Å; E858-K861 PolarHBondContact O-N 2.81Å; E858-K861 VanDerWaalsContact O-N 3.16Å; E858-K861 VanDerWaalsContact OE1-CD 3.27Å; E858-K861 WeakPolarHBondContact OE1-CD 3.31Å; E858-K861 IonicContact OE1-NZ 2.77Å; E858-K861 PolarHBondContact OE1-NZ 3.33Å; E858-K861 WeakPolarHBondContact OE2-CD 3.35Å; K861-L864 PolarHBondContact O-N 3.47Å; K861-K865 WeakPolarHBondContact O-CB 3.45Å; K861-K865 WeakPolarHBondContact O-CG 3.17Å; K861-K865 PolarHBondContact O-N 2.78Å
862	E	87.9	Confident	81.1	Confident	116 Å²	116	98.6 Å²	98.6	54%	0.542	49%	0.488	S	S	.	.	H	α-helix	trans	-71.7	-45.1	177.5	-66.1	-145.7	134.8	0	0	111.4	E858 E859 E860 L864 K865 E866	E858-E862 VanDerWaalsContact O-CG 3.31Å; E858-E862 WeakPolarHBondContact O-CG 3.47Å; E858-E862 PolarHBondContact O-N 2.84Å; E859-E862 PolarHBondContact O-N 3.16Å; E860-E862 VanDerWaalsContact C-N 3.33Å; E860-E862 PolarHBondContact O-N 2.75Å; E862-L864 VanDerWaalsContact C-N 3.25Å; E862-L864 PolarHBondContact O-N 3.09Å; E862-K865 CarbonylContact O-C 3.29Å; E862-K865 WeakPolarHBondContact O-CB 3.45Å; E862-K865 PolarHBondContact O-N 2.78Å; E862-K865 VanDerWaalsContact O-N 3.09Å; E862-K865 IonicContact OE1-NZ 4Å; E862-E866 WeakPolarHBondContact O-CG 3.18Å; E862-E866 PolarHBondContact O-N 2.81Å
863	R	85.7	Confident	80.7	Confident	129 Å²	129	98.2 Å²	98.2	49%	0.487	49%	0.49	S	S	.	.	H	α-helix	trans	-56.6	-39.4	169.4	-73.8	-175.2	-82.3	-103.8	4	111.6	E859 E860 V867	E859-R863 VanDerWaalsContact CB-NH2 3.28Å; E859-R863 WeakPolarHBondContact O-CB 3.39Å; E859-R863 WeakPolarHBondContact O-CG 3.5Å; E859-R863 PolarHBondContact O-N 2.9Å; E859-R863 IonicContact OE2-CZ 3.59Å; E859-R863 IonicContact OE2-NH1 3.66Å; E859-R863 PolarHBondContact OE2-NH1 3.44Å; E859-R863 IonicContact OE2-NH2 3.72Å; E859-R863 PolarHBondContact OE2-NH2 2.88Å; E860-R863 PolarHBondContact O-N 2.74Å; R863-V867 WeakPolarHBondContact O-CB 3.25Å; R863-V867 VanDerWaalsContact O-CG2 3.23Å; R863-V867 WeakPolarHBondContact O-CG2 3.35Å; R863-V867 PolarHBondContact O-N 3.31Å
864	L	83	Confident	79.8	Confident	105 Å²	105	100.7 Å²	100.7	55%	0.55	50%	0.499	S	S	.	.	H	α-helix	trans	-70.7	-36.5	174.4	-73.6	169	0	0	0	113	E860 K861 E862 A868	E860-L864 HydrophobicContact CG-CD1 4.11Å; E860-L864 HydrophobicContact CG-CG 4.48Å; E860-L864 VanDerWaalsContact O-CB 3.25Å; E860-L864 WeakPolarHBondContact O-CB 3.23Å; E860-L864 WeakPolarHBondContact O-CG 3.21Å; E860-L864 PolarHBondContact O-N 3.48Å; K861-L864 PolarHBondContact O-N 3.47Å; E862-L864 VanDerWaalsContact C-N 3.25Å; E862-L864 PolarHBondContact O-N 3.09Å; L864-A868 WeakPolarHBondContact O-CB 3.36Å; L864-A868 PolarHBondContact O-N 3.27Å
865	K	86.8	Confident	78.5	Confident	111 Å²	111	101.5 Å²	101.5	48%	0.483	51%	0.508	S	S	.	.	H	α-helix	trans	-63.5	-46.1	170.9	-73.9	165.9	-161.8	157.2	0	110.5	K861 E862 A868 E869	K861-K865 WeakPolarHBondContact O-CB 3.45Å; K861-K865 WeakPolarHBondContact O-CG 3.17Å; K861-K865 PolarHBondContact O-N 2.78Å; E862-K865 CarbonylContact O-C 3.29Å; E862-K865 WeakPolarHBondContact O-CB 3.45Å; E862-K865 PolarHBondContact O-N 2.78Å; E862-K865 VanDerWaalsContact O-N 3.09Å; E862-K865 IonicContact OE1-NZ 4Å; K865-A868 PolarHBondContact O-N 3.4Å; K865-E869 WeakPolarHBondContact O-CB 3.48Å; K865-E869 PolarHBondContact O-N 2.84Å
866	E	83.9	Confident	76.8	Confident	143 Å²	143	104.3 Å²	104.3	67%	0.668	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-43.3	176.6	-73.6	-159.5	135.7	0	0	111.8	E862 E869 S870	E862-E866 WeakPolarHBondContact O-CG 3.18Å; E862-E866 PolarHBondContact O-N 2.81Å; E866-E869 PolarHBondContact O-N 3.32Å; E866-S870 VanDerWaalsContact O-CB 3.28Å; E866-S870 WeakPolarHBondContact O-CB 3.36Å; E866-S870 PolarHBondContact O-N 2.74Å
867	V	81.2	Confident	75	Confident	77 Å²	77	106.9 Å²	106.9	47%	0.467	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-47	174.2	166.8	0	0	0	0	110.3	R863 E869 S870 L871	R863-V867 WeakPolarHBondContact O-CB 3.25Å; R863-V867 VanDerWaalsContact O-CG2 3.23Å; R863-V867 WeakPolarHBondContact O-CG2 3.35Å; R863-V867 PolarHBondContact O-N 3.31Å; V867-E869 PolarHBondContact O-N 3.4Å; V867-S870 PolarHBondContact O-N 2.74Å; V867-S870 PolarHBondContact O-OG 2.79Å; V867-L871 HydrophobicContact CG1-CD1 3.91Å; V867-L871 HydrophobicContact CG1-CG 4.5Å; V867-L871 WeakPolarHBondContact O-CB 3.17Å; V867-L871 VanDerWaalsContact O-CG 3.28Å; V867-L871 WeakPolarHBondContact O-CG 3.28Å; V867-L871 PolarHBondContact O-N 3.47Å
868	A	78.5	Confident	72.8	Confident	57 Å²	57	109 Å²	109	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176.7	0	0	0	0	0	112.5	L864 K865 L871 A872	L864-A868 WeakPolarHBondContact O-CB 3.36Å; L864-A868 PolarHBondContact O-N 3.27Å; K865-A868 PolarHBondContact O-N 3.4Å; A868-L871 PolarHBondContact O-N 2.82Å; A868-A872 VanDerWaalsContact O-CB 3.29Å; A868-A872 WeakPolarHBondContact O-CB 3.44Å; A868-A872 PolarHBondContact O-N 3.49Å
869	E	81.8	Confident	70.4	Confident	108 Å²	108	117.1 Å²	117.1	51%	0.505	57%	0.567	S	S	.	*	H	α-helix	trans	-67.2	-38.4	172.3	-82	-147.3	-179.3	0	0	112	K865 E866 V867 L871 A872 K873	K865-E869 WeakPolarHBondContact O-CB 3.48Å; K865-E869 PolarHBondContact O-N 2.84Å; E866-E869 PolarHBondContact O-N 3.32Å; V867-E869 PolarHBondContact O-N 3.4Å; E869-L871 VanDerWaalsContact C-N 3.3Å; E869-L871 PolarHBondContact O-N 3.18Å; E869-A872 CarbonylContact O-C 3.46Å; E869-A872 PolarHBondContact O-N 2.84Å; E869-K873 VanDerWaalsContact O-CB 3.24Å; E869-K873 WeakPolarHBondContact O-CB 3.28Å; E869-K873 WeakPolarHBondContact O-CD 3.24Å; E869-K873 WeakPolarHBondContact O-CG 3.29Å; E869-K873 PolarHBondContact O-N 2.58Å; E869-K873 WeakPolarHBondContact OE2-CE 3.41Å; E869-K873 IonicContact OE2-NZ 2.61Å; E869-K873 PolarHBondContact OE2-NZ 2.89Å
870	S	74.9	Confident	68.1	Low	43 Å²	43	122.8 Å²	122.8	30%	0.301	58%	0.584	S	S	.	*	H	α-helix	trans	-65.7	-36.6	176	87.8	0	0	0	0	110.9	E866 V867 K874	E866-S870 VanDerWaalsContact O-CB 3.28Å; E866-S870 WeakPolarHBondContact O-CB 3.36Å; E866-S870 PolarHBondContact O-N 2.74Å; V867-S870 PolarHBondContact O-N 2.74Å; V867-S870 PolarHBondContact O-OG 2.79Å; S870-K874 WeakPolarHBondContact O-CB 3.46Å; S870-K874 WeakPolarHBondContact O-CD 3.47Å; S870-K874 WeakPolarHBondContact O-CG 3.22Å; S870-K874 PolarHBondContact O-N 2.87Å
871	L	71.9	Confident	65.8	Low	99 Å²	99	128.1 Å²	128.1	52%	0.518	60%	0.599	S	S	.	*	H	α-helix	trans	-70.7	-39.5	173.2	-70.1	168.4	0	0	0	111.1	V867 A868 E869 K874 T875	V867-L871 HydrophobicContact CG1-CD1 3.91Å; V867-L871 HydrophobicContact CG1-CG 4.5Å; V867-L871 WeakPolarHBondContact O-CB 3.17Å; V867-L871 VanDerWaalsContact O-CG 3.28Å; V867-L871 WeakPolarHBondContact O-CG 3.28Å; V867-L871 PolarHBondContact O-N 3.47Å; A868-L871 PolarHBondContact O-N 2.82Å; E869-L871 VanDerWaalsContact C-N 3.3Å; E869-L871 PolarHBondContact O-N 3.18Å; L871-K874 PolarHBondContact O-N 3.43Å; L871-T875 WeakPolarHBondContact O-CB 3.41Å; L871-T875 WeakPolarHBondContact O-CG2 3.19Å; L871-T875 PolarHBondContact O-N 3.17Å; L871-T875 PolarHBondContact O-OG1 2.73Å
872	A	70.4	Confident	63.6	Low	37 Å²	37	129.6 Å²	129.6	31%	0.306	62%	0.617	S	S	.	*	H	α-helix	trans	-65.9	-37.4	173.4	0	0	0	0	0	112.1	A868 E869 T875 K876	A868-A872 VanDerWaalsContact O-CB 3.29Å; A868-A872 WeakPolarHBondContact O-CB 3.44Å; A868-A872 PolarHBondContact O-N 3.49Å; E869-A872 CarbonylContact O-C 3.46Å; E869-A872 PolarHBondContact O-N 2.84Å; A872-T875 WeakPolarHBondContact CA-OG1 3.18Å; A872-T875 PolarHBondContact O-OG1 2.84Å; A872-K876 WeakPolarHBondContact O-CB 3.17Å; A872-K876 WeakPolarHBondContact O-CG 3.18Å; A872-K876 PolarHBondContact O-N 3.43Å
873	K	66.3	Low	61.3	Low	130 Å²	130	129.9 Å²	129.9	57%	0.565	63%	0.633	S	S	*	*	H	α-helix	trans	-75.5	-33.6	176	-70.3	164	-174.1	169.4	0	111.7	E869 K876	E869-K873 VanDerWaalsContact O-CB 3.24Å; E869-K873 WeakPolarHBondContact O-CB 3.28Å; E869-K873 WeakPolarHBondContact O-CD 3.24Å; E869-K873 WeakPolarHBondContact O-CG 3.29Å; E869-K873 PolarHBondContact O-N 2.58Å; E869-K873 WeakPolarHBondContact OE2-CE 3.41Å; E869-K873 IonicContact OE2-NZ 2.61Å; E869-K873 PolarHBondContact OE2-NZ 2.89Å; K873-K876 CarbonylContact O-C 3.5Å; K873-K876 PolarHBondContact O-N 2.74Å
874	K	57.8	Low	58.8	Low	161 Å²	161	127.4 Å²	127.4	70%	0.7	65%	0.647	S	S	*	*	H	α-helix	trans	-71.7	-31.9	171.1	-76.4	167.4	-179.4	168.7	0	112.8	S870 L871	S870-K874 WeakPolarHBondContact O-CB 3.46Å; S870-K874 WeakPolarHBondContact O-CD 3.47Å; S870-K874 WeakPolarHBondContact O-CG 3.22Å; S870-K874 PolarHBondContact O-N 2.87Å; L871-K874 PolarHBondContact O-N 3.43Å
875	T	51.5	Low	56.7	Low	114 Å²	114	127.5 Å²	127.5	70%	0.699	66%	0.657	S	S	*	*	H	α-helix	trans	-83.1	-16.8	171.6	51	0	0	0	0	113.4	L871 A872	L871-T875 WeakPolarHBondContact O-CB 3.41Å; L871-T875 WeakPolarHBondContact O-CG2 3.19Å; L871-T875 PolarHBondContact O-N 3.17Å; L871-T875 PolarHBondContact O-OG1 2.73Å; A872-T875 WeakPolarHBondContact CA-OG1 3.18Å; A872-T875 PolarHBondContact O-OG1 2.84Å
876	K	47.4	Very low	54.2	Low	172 Å²	172	131 Å²	131	75%	0.748	67%	0.672	S	S	*	*			trans	-99.1	50.8	170.7	-69.2	175.2	178.3	178.1	0	113.4	A872 K873	A872-K876 WeakPolarHBondContact O-CB 3.17Å; A872-K876 WeakPolarHBondContact O-CG 3.18Å; A872-K876 PolarHBondContact O-N 3.43Å; K873-K876 CarbonylContact O-C 3.5Å; K873-K876 PolarHBondContact O-N 2.74Å
877	K	42.1	Very low	52.1	Low	177 Å²	177	129.5 Å²	129.5	77%	0.77	68%	0.677	S	S	*	*	S	Bend	trans	-115.7	147.5	153.4	-86.5	-172.7	174.4	-179.4	0	110.5
878	P	36.5	Very low	50.1	Low	111 Å²	111	133 Å²	133	72%	0.721	69%	0.694	S	S	*	*			trans	-87.2	125.5	-130.4	29.1	-36.4	0	0	0	115.4	R880	P878-R880 VanDerWaalsContact C-N 3.27Å; P878-R880 PolarHBondContact O-N 2.99Å
879	R	34.5	Very low	48.3	Very low	255 Å²	255	135.2 Å²	135.2	96%	0.962	71%	0.705	S	S	*	*			trans	-73	78.4	157.6	-81.3	-175	166.7	178.2	-3.7	110.7
880	R	37.9	Very low	46.4	Very low	223 Å²	223	133.2 Å²	133.2	84%	0.842	71%	0.713	S	S	*	*			trans	-83.6	120.8	158.4	-88.6	-172.5	171.5	-174.4	-1.7	109.3	P878	P878-R880 VanDerWaalsContact C-N 3.27Å; P878-R880 PolarHBondContact O-N 2.99Å
881	R	35.9	Very low	44.7	Very low	231 Å²	231	141.1 Å²	141.1	87%	0.872	74%	0.742	S	S	*	*			trans	162.4	163.7	158.8	-95.6	160.7	-173.1	-149.5	-0.6	109
882	P	40.3	Very low	43.1	Very low	122 Å²	122	140.7 Å²	140.7	79%	0.792	75%	0.748	S	S	*	*			cis	-131.9	136.7	13.6	36.6	-18.6	0	0	0	117.2
883	S	39.1	Very low	41.6	Very low	123 Å²	123	148.1 Å²	148.1	86%	0.86	77%	0.773	S	S	*	*	S	Bend	trans	-169.9	131.3	148.5	53.2	0	0	0	0	109.7
884	G	33.9	Very low	40.1	Very low	76 Å²	76	146.3 Å²	146.3	78%	0.784	78%	0.777	S	S	*	*	S	Bend	trans	108.1	130.8	179.9	0	0	0	0	0	114.7
885	S	38.3	Very low	39	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	78%	0.782	S	S	*	*			trans	-59.2	163.3	-177.5	48.3	0	0	0	0	114.6
886	F	34.3	Very low	38.2	Very low	184 Å²	184	149.3 Å²	149.3	81%	0.807	78%	0.777	S	S	*	*			cis	-155.2	147.4	34.3	-133.1	-91.2	0	0	0	109.6
887	S	39.6	Very low	37.6	Very low	111 Å²	111	150.1 Å²	150.1	78%	0.776	78%	0.775	S	S	*	*			trans	60	160.8	169.5	45.5	0	0	0	0	119.9
888	D	39.3	Very low	37.1	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	77%	0.769	S	S	*	*			cis	-158.7	-128.2	-30.1	-172	-112.2	0	0	0	111.9
889	S	41.3	Very low	36.9	Very low	103 Å²	103	148 Å²	148	72%	0.72	77%	0.767	S	S	*	*			trans	-120	166.6	-160.2	65.1	0	0	0	0	115.2
890	G	40.8	Very low	36.9	Very low	65 Å²	65	145 Å²	145	67%	0.67	76%	0.756	S	S	*	*			cis	168.1	156.7	-13.2	0	0	0	0	0	115.3
891	K	40.5	Very low	36.9	Very low	209 Å²	209	141.8 Å²	141.8	91%	0.909	75%	0.754	S	S	*	*			trans	70.9	158.7	167.2	-56.9	168.7	-175.7	168.8	0	118.4
892	S	37.9	Very low	36.7	Very low	90 Å²	90	141.4 Å²	141.4	63%	0.629	75%	0.753	S	S	*	*			cis	-174.7	162.7	-31.3	66.8	0	0	0	0	113
893	K	38.5	Very low	36.4	Very low	193 Å²	193	146.8 Å²	146.8	84%	0.839	76%	0.757	S	S	*	*			trans	73.4	159.4	158.5	-66.3	174.7	-178.1	179.2	0	119.2
894	S	35.5	Very low	36.3	Very low	93 Å²	93	146.3 Å²	146.3	65%	0.65	75%	0.754	S	S	*	*			cis	-176.9	152.4	-26.4	58.8	0	0	0	0	114.2
895	R	32.9	Very low	36.3	Very low	211 Å²	211	154 Å²	154	80%	0.796	76%	0.759	S	S	*	*			trans	63.2	117.8	144.9	-76.5	-174.2	147.6	148.9	-1.6	120.4
896	E	36.5	Very low	36.7	Very low	127 Å²	127	154.2 Å²	154.2	59%	0.593	76%	0.758	S	S	*	*				118.9	177.1	86.7	-91.5	171.6	-162	0	0	110.2
897	W	34	Very low	37	Very low	188 Å²	188	151 Å²	151	71%	0.712	76%	0.759	S	S	*	*			cis	-150.1	-142.9	30.2	-159.2	67.9	0	0	0	114.4	R900	W897-R900 VanDerWaalsContact CH2-NH2 3.33Å
898	F	31	Very low	36.9	Very low	146 Å²	146	150.1 Å²	150.1	64%	0.64	76%	0.758	S	S	*	*			trans	-110	155.9	-155.3	-85.3	-99.8	0	0	0	120.2
899	S	32.6	Very low	36.9	Very low	98 Å²	98	148.1 Å²	148.1	69%	0.685	75%	0.754	S	S	*	*			trans	-40	160	159.5	60.7	0	0	0	0	121.2
900	R	34.8	Very low	36.6	Very low	192 Å²	192	152 Å²	152	73%	0.725	76%	0.76	S	S	*	*			trans	-173.7	155.1	158.1	-93.3	146.8	-132.9	-124.4	0.1	108.1	W897	W897-R900 VanDerWaalsContact CH2-NH2 3.33Å
901	L	37	Very low	36.4	Very low	155 Å²	155	154.3 Å²	154.3	81%	0.812	76%	0.764	S	S	*	*			cis	-148.4	154.1	-26.8	-66.4	125.3	0	0	0	105.3
902	R	32.1	Very low	36.3	Very low	223 Å²	223	149.5 Å²	149.5	84%	0.842	75%	0.754	S	S	*	*			cis	89.9	112.6	2.3	-142.7	178.3	-166.6	-169	4.1	118
903	R	34.9	Very low	36	Very low	235 Å²	235	153.7 Å²	153.7	89%	0.887	76%	0.763	S	S	*	*			trans	91	149	173.7	-59.1	172	176.6	167.7	-2.9	115.6
904	S	36.3	Very low	35.6	Very low	113 Å²	113	149.7 Å²	149.7	79%	0.79	76%	0.76	S	S	*	*			cis	-165.7	155.8	-8	38.5	0	0	0	0	116.1
905	R	34.1	Very low	35.4	Very low	237 Å²	237	152.5 Å²	152.5	89%	0.894	77%	0.773	S	S	*	*			trans	-41.8	-177.6	157.1	-87.9	-175.9	-179.5	-178.4	-0.7	118.1
906	P	47.5	Very low	35.2	Very low	113 Å²	113	145.7 Å²	145.7	73%	0.734	77%	0.768	S	S	*	*			cis	-147.6	175.3	-30.2	39.5	-20.8	0	0	0	118.3
907	S	39	Very low	34.8	Very low	117 Å²	117	148.3 Å²	148.3	82%	0.818	78%	0.78	S	S	*	*			trans	-174.2	152.2	147.1	16.6	0	0	0	0	109.1
908	A	37.9	Very low	34.5	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	78%	0.777	S	S	*	*			cis	89.4	140.5	-1.4	0	0	0	0	0	119.1
909	P	39.7	Very low	34.4	Very low	110 Å²	110	142.3 Å²	142.3	71%	0.714	77%	0.773	S	S	*	*			cis	-132.3	-177.8	-0.4	44.3	-27.6	0	0	0	117.5
910	E	34.8	Very low	34.3	Very low	183 Å²	183	150.8 Å²	150.8	86%	0.855	80%	0.798	S	S	*	*			trans	74.9	136.4	155.1	-79.7	167.6	-158.5	0	0	124.3
911	P	36.6	Very low	34.3	Very low	114 Å²	114	148.8 Å²	148.8	74%	0.74	80%	0.802	S	S	*	*			trans	-114.3	-162.4	175.3	48.4	-38.4	0	0	0	111.6
912	P	38	Very low	34.2	Very low	109 Å²	109	148.4 Å²	148.4	71%	0.708	80%	0.801	S	S	*	*			cis	-139.2	-166.1	2.5	33.8	-8.3	0	0	0	116.7
913	Q	33	Very low	34.3	Very low	177 Å²	177	144.3 Å²	144.3	83%	0.827	80%	0.799	S	S	*	*			trans	95.7	107.6	160	-59.1	-171.3	-4.1	0	0	120
914	S	30	Very low	34.3	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	79%	0.794	S	S	*	*			trans	31.4	111.4	147.1	57.4	0	0	0	0	118.8
915	V	29.7	Very low	34.1	Very low	153 Å²	153	140.6 Å²	140.6	93%	0.927	79%	0.794	S	S	*	*				-161.1	140.1	77.6	158	0	0	0	0	107.9
916	G	28.9	Very low	34.1	Very low	67 Å²	67	134.1 Å²	134.1	69%	0.691	79%	0.787	S	S	*	*			trans	157.1	106.7	169	0	0	0	0	0	117.4
917	Q	29.2	Very low	33.2	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	79%	0.791	S	S	*	*			trans	57.2	135.1	139.1	-72.8	-176.6	-27	0	0	123.9
918	T	27.2	Very low	32.7	Very low	106 Å²	106	137.1 Å²	137.1	65%	0.65	79%	0.789	S	S	*	*			trans	74.9	112	141.7	49.4	0	0	0	0	122.4
919	N	29.5	Very low	32.3	Very low	102 Å²	102	140.8 Å²	140.8	55%	0.545	79%	0.79	S	S	.	*				59.5	115.3	126.9	-44.9	-13.7	0	0	0	119.2
920	F	31.1	Very low	31.6	Very low	277 Å²	277	143.5 Å²	143.5	100%	1.215	80%	0.797	S	S	*	*				-113.9	0	79.5	-106.8	-96.8	0	0	0	109.2

Retrieved 920 of 920 residues in 4353 ms (Link to these results)

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