A0A096NHI0_PAPAN Loading...

Zinc finger with KRAB and SCAN domains 2

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NHI0, Species PAPAN (Papio anubis, Olive baboon), Gene ZKSCAN2, Length 967 aa.

						>A0A096NHI0_PAPAN|A0A096NHI0|ZKSCAN2
MAVALDSQIDSPLEVEGCLIMKMEKDPEWASEPILEGSDSCETFRKCFRQFCYEDVTGPHEAFSKLWELCCRWLKPEMRSKEQILELLVIEQFLTILPEKIQAWAQKQCPQSGEEAVALVVHLEKETGRLRQQVSSPVHPEKHALLGAAWEVADFQPEQVETQPRVVSREEAGSLHSVHQEQLNRKRERRPLPKNARPSPWVPALADEWNTLDQEVTTTRLPAGSQEPVKDVHVARGFSYKKSVHQIPAHRDLYRDFRKENVGNMVSLGSTASTSNKITRLEQRREPWTLGLHSSNKRSILRSNYVKEKSVHAIQVPARSTGKTWREQQQWGLEDEKIAGVHWSYEETKTFLAILKESRFYETLQACPRNSQVYGAVAEWLRECGFLRTPEQCRTKFKSLQKSYRKVRNGHMLEPCAFFEDMDALLNPAAHASSTDKPKEMIPLPRLKRIAISGKEHISLVEEEEAAEDSDGDEMGVEFIRKSEIHGAPVLFQNLSGVHWGYEETKTFLDILRETRFYEALQACHRKSKLYGAVAEQLRECGFLRTPEQCRTKFKSLQKSYRKVKNGHMLESCAFYKEMDALINSRAPAPFPSTPEEVPSPSRQERGSIEVEPQEPTGWEPEETSQEAVIEDSCSERMSEEEIMQEPEFQGPPGLLQSPNDFEIGNSIKEDPAQIVYKDMEQRRALIEKSKRVVSQNTDPSKYHKRECISGRQWENLQGIRQGKLMSQPRDLGKGVVHQRPFVGKRPYRLLKYGESFGRSTRLMCRMTHHKENPYKCGVCGKCFGRSRSLIRHQRIHTGEKPFKCLDCGKSFNDSSNFGAHQRIHTGEKPYRCGECGKCFSQSSSLIIHQRTHTGEKPYQCGECGKSFTNSSHFSAHRRVHTGENPYKCVDCEKSFSNCTRFREHRRIHTGEKPYGCAQCGKRFNKSSVLTKHREVHVREKPLPHPPSLYCPENPHKGKIDEFRKTF
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	29.6	Very low	239 Å²	239	132.6 Å²	132.6	100%	1.177	77%	0.77	S	S	*	*				0	104.5	0	-60.2	169	-174.1	0	0	104.9
2	A	28.1	Very low	30.8	Very low	100 Å²	100	131.2 Å²	131.2	83%	0.826	77%	0.768	S	S	*	*				78.6	131.7	71.4	0	0	0	0	0	111.2
3	V	30.1	Very low	30.6	Very low	135 Å²	135	134.4 Å²	134.4	82%	0.818	78%	0.779	S	S	*	*			cis	-164.2	150.8	-4	100.5	0	0	0	0	110.4
4	A	31.4	Very low	30.6	Very low	81 Å²	81	137.8 Å²	137.8	67%	0.669	78%	0.784	S	S	*	*			trans	60.6	160.8	159	0	0	0	0	0	119.8
5	L	33.1	Very low	30.5	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	79%	0.79	S	S	*	*			cis	-158.3	162.6	-21.4	-108.3	167.5	0	0	0	109.7
6	D	26.8	Very low	30.7	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	80%	0.798	S	S	*	*			trans	-14.2	172.4	158.3	-55.6	-6.7	0	0	0	121.7
7	S	30.3	Very low	30.5	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	80%	0.795	S	S	*	*			cis	172.8	145.2	-48.1	67.3	0	0	0	0	110.5
8	Q	30.8	Very low	30.3	Very low	165 Å²	165	137.2 Å²	137.2	77%	0.771	80%	0.799	S	S	*	*			trans	71.7	124.2	158.7	-64.3	-177.1	47.7	0	0	118.6
9	I	30.6	Very low	30.1	Very low	137 Å²	137	138.9 Å²	138.9	70%	0.703	80%	0.803	S	S	*	*				77.3	133.6	98.1	-64	169.1	0	0	0	112.4
10	D	25.2	Very low	30.1	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	80%	0.802	S	S	*	*			cis	-153.4	154.4	33	-138.4	-21	0	0	0	115.8
11	S	29.4	Very low	30	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	80%	0.797	S	S	*	*			trans	24.1	171.3	136.2	-65.7	0	0	0	0	125.3
12	P	44.3	Very low	29.9	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	78%	0.776	S	S	*	*			cis	-137.7	172.7	-37.5	38.2	-22.5	0	0	0	114.1
13	L	27.3	Very low	30.2	Very low	173 Å²	173	141 Å²	141	91%	0.906	78%	0.783	S	S	*	*			trans	-169.3	148.2	144	-112.4	166.4	0	0	0	113.4
14	E	30.7	Very low	30.1	Very low	182 Å²	182	142.6 Å²	142.6	85%	0.85	78%	0.781	S	S	*	*			trans	-92.5	144.4	-178.3	-58.3	172.1	125	0	0	112.7
15	V	29.9	Very low	30.3	Very low	145 Å²	145	147.8 Å²	147.8	88%	0.879	79%	0.789	S	S	*	*			trans	-138.5	127.9	160	-179.7	0	0	0	0	109.3	G17	V15-G17 PolarHBondContact O-N 3.34Å
16	E	33.3	Very low	30.3	Very low	196 Å²	196	147.9 Å²	147.9	92%	0.916	79%	0.79	S	S	*	*			trans	-69.4	115.3	178.5	-66.6	177.2	109.2	0	0	111.7
17	G	26.9	Very low	31.1	Very low	72 Å²	72	146.4 Å²	146.4	74%	0.742	79%	0.788	S	S	*	*			trans	-98.4	113.2	170	0	0	0	0	0	111.9	V15 L19	V15-G17 PolarHBondContact O-N 3.34Å; G17-L19 PolarHBondContact O-N 3.24Å
18	C	28.1	Very low	31	Very low	128 Å²	128	150.5 Å²	150.5	87%	0.865	80%	0.798	S	S	*	*			trans	-73.1	120.5	168.1	-71.2	0	0	0	0	110
19	L	25.8	Very low	31	Very low	170 Å²	170	155.1 Å²	155.1	89%	0.89	81%	0.808	S	S	*	*			trans	-107.5	108.4	166	-80.4	170.9	0	0	0	110.4	G17	G17-L19 PolarHBondContact O-N 3.24Å
20	I	30.6	Very low	31.1	Very low	151 Å²	151	153 Å²	153	77%	0.774	81%	0.812	S	S	*	*			trans	-78.2	118.5	163	-61.8	171.1	0	0	0	106.1	K22	I20-K22 PolarHBondContact O-N 3.42Å
21	M	27.9	Very low	31.4	Very low	142 Å²	142	152.1 Å²	152.1	70%	0.7	82%	0.816	S	S	*	*			trans	-66.5	103.8	170.4	-73.3	-177.7	69.1	0	0	109.2
22	K	28	Very low	31.6	Very low	170 Å²	170	156.6 Å²	156.6	74%	0.739	83%	0.826	S	S	*	*			trans	-65.6	145.6	157.5	-70.6	-179.1	175.3	-179.2	0	108.3	I20	I20-K22 PolarHBondContact O-N 3.42Å
23	M	33.8	Very low	31.3	Very low	196 Å²	196	155.9 Å²	155.9	97%	0.966	82%	0.821	S	S	*	*			trans	-75.2	122.7	153.4	-67.3	-175.8	75.6	0	0	107.3
24	E	26.7	Very low	32.1	Very low	169 Å²	169	155.3 Å²	155.3	79%	0.79	82%	0.818	S	S	*	*			trans	-120	135.3	171.8	-160.4	143.7	-119.5	0	0	106.4
25	K	37.6	Very low	32.2	Very low	191 Å²	191	153.8 Å²	153.8	83%	0.83	82%	0.815	S	S	*	*			trans	-87.4	127.1	-175.5	-72.6	-175.6	174.6	-174.2	0	109.9
26	D	31.3	Very low	32.5	Very low	147 Å²	147	156.2 Å²	156.2	79%	0.786	82%	0.816	S	S	*	*			trans	49.1	134.2	151.8	-45.6	-43.1	0	0	0	117.9
27	P	44.4	Very low	32.4	Very low	107 Å²	107	149.3 Å²	149.3	70%	0.695	80%	0.797	S	S	*	*				-145.3	167	91.7	38.5	-23.7	0	0	0	116.3
28	E	28.2	Very low	33	Very low	173 Å²	173	150.8 Å²	150.8	81%	0.808	80%	0.797	S	S	*	*			trans	64.1	60.4	145.7	-72.6	166.9	-146.4	0	0	119.9
29	W	30.7	Very low	33.8	Very low	261 Å²	261	149.6 Å²	149.6	99%	0.989	78%	0.782	S	S	*	*			trans	-128	77.2	132.6	-95.8	-71.6	0	0	0	110.6
30	A	32.8	Very low	35.3	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	76%	0.76	S	S	*	*			trans	-122.8	77.8	-178.8	0	0	0	0	0	111.2
31	S	32.2	Very low	36.6	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	73%	0.733	S	S	*	*			trans	-141.2	77.8	173.8	-66.1	0	0	0	0	111.9
32	E	33.5	Very low	38.2	Very low	191 Å²	191	134.7 Å²	134.7	89%	0.893	71%	0.712	S	S	*	*			trans	63.5	161.8	157.1	-58.4	-168.2	170.5	0	0	120.7
33	P	37.5	Very low	40.1	Very low	99 Å²	99	130 Å²	130	64%	0.643	70%	0.698	S	S	*	*			cis	-108.7	155.1	-19.7	36.6	-27.6	0	0	0	112.2	L35	P33-L35 PolarHBondContact O-N 3.19Å
34	I	45	Very low	41.7	Very low	162 Å²	162	123.6 Å²	123.6	83%	0.831	67%	0.665	S	S	*	*			trans	-78.9	108.2	164.7	-61	173.9	0	0	0	107.8	E36	I34-E36 HydrophobicContact CG2-CG 4.31Å
35	L	31.5	Very low	43.8	Very low	150 Å²	150	116.2 Å²	116.2	79%	0.785	63%	0.63	S	S	*	*			trans	-102.4	110.1	162.2	-80	166.3	0	0	0	108.4	P33 G37	P33-L35 PolarHBondContact O-N 3.19Å; L35-G37 PolarHBondContact O-N 2.69Å; L35-G37 VanDerWaalsContact O-N 3.16Å
36	E	37.2	Very low	45.3	Very low	196 Å²	196	112.9 Å²	112.9	92%	0.916	62%	0.615	S	S	*	*			trans	-69.9	105.9	168.9	-67.8	-168.3	127.9	0	0	109	I34	I34-E36 HydrophobicContact CG2-CG 4.31Å
37	G	30.4	Very low	47.3	Very low	50 Å²	50	108.8 Å²	108.8	52%	0.515	60%	0.597	S	S	.	*	S	Bend	trans	-176.6	172.1	-176.7	0	0	0	0	0	112.4	L35 D39	L35-G37 PolarHBondContact O-N 2.69Å; L35-G37 VanDerWaalsContact O-N 3.16Å; G37-D39 PolarHBondContact O-N 3.05Å; G37-D39 VanDerWaalsContact O-N 3.15Å
38	S	40.4	Very low	48.8	Very low	104 Å²	104	106.9 Å²	106.9	73%	0.727	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-24.9	179	36.2	0	0	0	0	114.3	S40	S38-S40 VanDerWaalsContact C-N 3.27Å; S38-S40 PolarHBondContact O-N 3.3Å
39	D	45	Very low	50.8	Low	103 Å²	103	102.8 Å²	102.8	55%	0.551	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-7.5	-155.6	-55.8	-2.5	0	0	0	113.7	G37 C41 E42 T43	G37-D39 PolarHBondContact O-N 3.05Å; G37-D39 VanDerWaalsContact O-N 3.15Å; D39-C41 PolarHBondContact O-N 2.64Å; D39-E42 WeakPolarHBondContact O-CB 3.42Å; D39-E42 PolarHBondContact O-N 3.35Å; D39-T43 PolarHBondContact O-N 2.85Å
40	S	57	Low	52.8	Low	63 Å²	63	96.5 Å²	96.5	44%	0.441	54%	0.537	S	S	.	.	H	α-helix	trans	-57.3	-19.3	176.8	65.2	0	0	0	0	114.4	S38 T43 F44	S38-S40 VanDerWaalsContact C-N 3.27Å; S38-S40 PolarHBondContact O-N 3.3Å; S40-T43 PolarHBondContact O-OG1 3.26Å; S40-F44 WeakPolarHBondContact O-CD2 3.3Å
41	C	56.7	Low	55	Low	29 Å²	29	94.4 Å²	94.4	20%	0.196	51%	0.511	C	S	.	.	H	α-helix	trans	-87.3	-30.4	173.3	-156.9	0	0	0	0	112.5	D39 R45	D39-C41 PolarHBondContact O-N 2.64Å; C41-R45 WeakPolarHBondContact O-CB 3.3Å; C41-R45 PolarHBondContact O-N 3.04Å
42	E	62.6	Low	56.9	Low	58 Å²	58	92.1 Å²	92.1	27%	0.271	49%	0.494	S	S	.	.	H	α-helix	trans	-77.2	-34.1	-178.1	-149.9	64.3	-129.5	0	0	111.5	D39 R45 K46	D39-E42 WeakPolarHBondContact O-CB 3.42Å; D39-E42 PolarHBondContact O-N 3.35Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 3.25Å; E42-R45 WeakPolarHBondContact OE1-CD 3.41Å; E42-R45 IonicContact OE1-CZ 3.7Å; E42-R45 IonicContact OE1-NE 3Å; E42-R45 PolarHBondContact OE1-NE 3.21Å; E42-R45 IonicContact OE1-NH1 2.84Å; E42-R45 PolarHBondContact OE1-NH1 3.46Å; E42-R45 IonicContact OE2-NH1 2.61Å; E42-R45 PolarHBondContact OE2-NH1 2.95Å; E42-R45 VanDerWaalsContact OE2-NH1 3.12Å; E42-K46 WeakPolarHBondContact O-CB 3.43Å; E42-K46 PolarHBondContact O-N 3.26Å
43	T	66.9	Low	58.7	Low	72 Å²	72	89.6 Å²	89.6	44%	0.442	48%	0.477	S	S	.	.	H	α-helix	trans	-65	-49.5	176.4	55.8	0	0	0	0	112.2	D39 S40 R45 K46 C47	D39-T43 PolarHBondContact O-N 2.85Å; S40-T43 PolarHBondContact O-OG1 3.26Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 3.36Å; T43-K46 WeakPolarHBondContact O-CB 3.35Å; T43-K46 PolarHBondContact O-N 3.43Å; T43-C47 PolarHBondContact O-N 3.19Å; T43-C47 PolarHBondContact O-SG 3.33Å
44	F	68.9	Low	60.3	Low	61 Å²	61	93.8 Å²	93.8	27%	0.268	49%	0.488	S	S	.	.	H	α-helix	trans	-64.9	-35.2	176.5	-65.3	-58.4	0	0	0	112.8	S40 C47 F48 L69 R72 W73	S40-F44 WeakPolarHBondContact O-CD2 3.3Å; F44-C47 PolarHBondContact O-N 2.65Å; F44-F48 WeakPolarHBondContact O-CB 3.32Å; F44-F48 PolarHBondContact O-N 3.18Å; F44-L69 HydrophobicContact CD1-CD2 4.04Å; F44-R72 HydrophobicContact CD1-CB 4.34Å; F44-R72 HydrophobicContact CD2-CB 3.87Å; F44-R72 HydrophobicContact CE2-CB 4.19Å; F44-R72 HydrophobicContact CG-CB 3.98Å; F44-W73 HydrophobicContact CB-CB 4.22Å
45	R	69.7	Low	61.5	Low	14 Å²	14	92.1 Å²	92.1	5%	0.053	48%	0.481	C	S	.	.	H	α-helix	trans	-59.3	-45.3	171.5	-172.6	-163.8	-162.7	160.3	5.3	111.3	C41 E42 T43 F48 R49 W73 E91	C41-R45 WeakPolarHBondContact O-CB 3.3Å; C41-R45 PolarHBondContact O-N 3.04Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 3.25Å; E42-R45 WeakPolarHBondContact OE1-CD 3.41Å; E42-R45 IonicContact OE1-CZ 3.7Å; E42-R45 IonicContact OE1-NE 3Å; E42-R45 PolarHBondContact OE1-NE 3.21Å; E42-R45 IonicContact OE1-NH1 2.84Å; E42-R45 PolarHBondContact OE1-NH1 3.46Å; E42-R45 IonicContact OE2-NH1 2.61Å; E42-R45 PolarHBondContact OE2-NH1 2.95Å; E42-R45 VanDerWaalsContact OE2-NH1 3.12Å; T43-R45 VanDerWaalsContact C-N 3.33Å; T43-R45 PolarHBondContact O-N 3.36Å; R45-F48 PolarHBondContact O-N 3.44Å; R45-R49 PolarHBondContact O-N 3.33Å; R45-R49 VanDerWaalsContact O-N 3.15Å; R45-W73 HydrophobicContact CB-CD2 4.47Å; R45-W73 HydrophobicContact CB-CG 4.21Å; R45-W73 HydrophobicContact CG-CD2 4.49Å; R45-W73 HydrophobicContact CG-CZ2 4.29Å; R45-E91 IonicContact CZ-OE1 3.23Å; R45-E91 VanDerWaalsContact NE-CD 3.32Å; R45-E91 IonicContact NE-OE1 2.93Å; R45-E91 PolarHBondContact NE-OE1 2.83Å; R45-E91 IonicContact NE-OE2 3.66Å; R45-E91 IonicContact NH2-OE1 2.79Å; R45-E91 PolarHBondContact NH2-OE1 3.2Å
46	K	69.9	Low	63.8	Low	120 Å²	120	85.9 Å²	85.9	52%	0.522	45%	0.449	S	S	.	.	H	α-helix	trans	-65.1	-44.9	175.5	-173.6	178.1	177.5	-178.1	0	112.1	E42 T43 F48 R49 Q50	E42-K46 WeakPolarHBondContact O-CB 3.43Å; E42-K46 PolarHBondContact O-N 3.26Å; T43-K46 WeakPolarHBondContact O-CB 3.35Å; T43-K46 PolarHBondContact O-N 3.43Å; K46-F48 VanDerWaalsContact C-N 3.29Å; K46-F48 PolarHBondContact O-N 3.26Å; K46-R49 PolarHBondContact O-N 3.49Å; K46-Q50 WeakPolarHBondContact O-CG 3.37Å; K46-Q50 PolarHBondContact O-N 3.47Å
47	C	71.6	Confident	65.5	Low	61 Å²	61	83 Å²	83	41%	0.412	45%	0.445	S	S	.	.	H	α-helix	trans	-60.8	-36.5	175.2	-65.9	0	0	0	0	112.5	T43 F44 Q50 F51 L69	T43-C47 PolarHBondContact O-N 3.19Å; T43-C47 PolarHBondContact O-SG 3.33Å; F44-C47 PolarHBondContact O-N 2.65Å; C47-Q50 CarbonylContact O-C 3.57Å; C47-Q50 PolarHBondContact O-N 3.11Å; C47-F51 PolarHBondContact O-N 3.39Å; C47-F51 VanDerWaalsContact O-N 3.14Å; C47-L69 HydrophobicContact CB-CD2 3.9Å
48	F	77.1	Confident	67.8	Low	68 Å²	68	81.6 Å²	81.6	30%	0.298	43%	0.43	S	S	.	.	H	α-helix	trans	-64.1	-43.4	174.3	-178.2	-99.9	0	0	0	112.3	F44 R45 K46 Q50 F51 L66 L69 C70 W73	F44-F48 WeakPolarHBondContact O-CB 3.32Å; F44-F48 PolarHBondContact O-N 3.18Å; R45-F48 PolarHBondContact O-N 3.44Å; K46-F48 VanDerWaalsContact C-N 3.29Å; K46-F48 PolarHBondContact O-N 3.26Å; F48-Q50 VanDerWaalsContact C-N 3.28Å; F48-Q50 PolarHBondContact O-N 2.98Å; F48-F51 PolarHBondContact O-N 3.49Å; F48-L66 HydrophobicContact CD2-CD2 3.97Å; F48-L66 HydrophobicContact CE2-CD2 3.71Å; F48-L69 HydrophobicContact CB-CB 4.48Å; F48-L69 HydrophobicContact CD2-CB 4.24Å; F48-C70 WeakPolarHBondContact CE2-SG 3.45Å; F48-W73 HydrophobicContact CD1-CE3 4.44Å; F48-W73 HydrophobicContact CD1-CZ3 4.19Å; F48-W73 HydrophobicContact CE1-CZ3 4.29Å
49	R	69.6	Low	69.4	Low	87 Å²	87	80.1 Å²	80.1	33%	0.328	42%	0.418	S	S	.	.	H	α-helix	trans	-65.2	-28.9	174.2	-66.3	179.1	-171.6	162.7	2	113.8	R45 K46 E91	R45-R49 PolarHBondContact O-N 3.33Å; R45-R49 VanDerWaalsContact O-N 3.15Å; K46-R49 PolarHBondContact O-N 3.49Å; R49-E91 IonicContact CZ-OE1 3.45Å; R49-E91 IonicContact CZ-OE2 3.5Å; R49-E91 VanDerWaalsContact CZ-OE2 3.23Å; R49-E91 IonicContact NE-OE2 3.57Å; R49-E91 PolarHBondContact NE-OE2 3.26Å; R49-E91 VanDerWaalsContact NH2-CD 3.28Å; R49-E91 IonicContact NH2-OE1 3.49Å; R49-E91 PolarHBondContact NH2-OE1 2.99Å; R49-E91 IonicContact NH2-OE2 2.63Å; R49-E91 PolarHBondContact NH2-OE2 3.4Å
50	Q	72.8	Confident	70.5	Confident	129 Å²	129	81.3 Å²	81.3	60%	0.603	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	8.9	-176.7	-64.3	-172.5	-59.9	0	0	113.2	K46 C47 F48 C52	K46-Q50 WeakPolarHBondContact O-CG 3.37Å; K46-Q50 PolarHBondContact O-N 3.47Å; C47-Q50 CarbonylContact O-C 3.57Å; C47-Q50 PolarHBondContact O-N 3.11Å; F48-Q50 VanDerWaalsContact C-N 3.28Å; F48-Q50 PolarHBondContact O-N 2.98Å; Q50-C52 PolarHBondContact O-N 3.09Å
51	F	78.7	Confident	71.4	Confident	50 Å²	50	81.1 Å²	81.1	22%	0.219	41%	0.412	C	S	.	.			trans	-74.5	108.7	178.8	-179	-88.2	0	0	0	111.4	C47 F48 V56 A62 K65 L66 L69	C47-F51 PolarHBondContact O-N 3.39Å; C47-F51 VanDerWaalsContact O-N 3.14Å; F48-F51 PolarHBondContact O-N 3.49Å; F51-V56 HydrophobicContact CE2-CG2 3.93Å; F51-V56 HydrophobicContact CZ-CG2 3.74Å; F51-A62 HydrophobicContact CE1-CB 4.35Å; F51-A62 HydrophobicContact CZ-CB 3.95Å; F51-K65 HydrophobicContact CE2-CB 3.76Å; F51-K65 HydrophobicContact CE2-CD 4.39Å; F51-K65 HydrophobicContact CZ-CB 4.39Å; F51-L66 HydrophobicContact CB-CD2 4.15Å; F51-L66 HydrophobicContact CD1-CD1 4.01Å; F51-L66 HydrophobicContact CD1-CD2 3.51Å; F51-L66 HydrophobicContact CD1-CG 3.72Å; F51-L66 HydrophobicContact CD2-CD2 4.33Å; F51-L66 HydrophobicContact CD2-CG 4.45Å; F51-L66 HydrophobicContact CE1-CD1 3.68Å; F51-L66 HydrophobicContact CE1-CD2 3.96Å; F51-L66 HydrophobicContact CE1-CG 3.6Å; F51-L66 HydrophobicContact CE2-CG 4.34Å; F51-L66 HydrophobicContact CG-CD2 3.72Å; F51-L66 HydrophobicContact CG-CG 4.16Å; F51-L66 HydrophobicContact CZ-CD1 4.31Å; F51-L66 HydrophobicContact CZ-CG 3.93Å; F51-L69 HydrophobicContact CD2-CD1 4.31Å
52	C	72.4	Confident	72.6	Confident	67 Å²	67	79.9 Å²	79.9	45%	0.453	40%	0.404	S	S	.	.			trans	-94.1	134.1	171.9	-68.8	0	0	0	0	110.8	Q50 E54 D55	Q50-C52 PolarHBondContact O-N 3.09Å; C52-E54 PolarHBondContact O-N 2.84Å; C52-D55 WeakPolarHBondContact CB-OD2 3.43Å; C52-D55 PolarHBondContact O-N 3.08Å
53	Y	72	Confident	73.3	Confident	139 Å²	139	84.5 Å²	84.5	55%	0.545	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-65.8	-22.1	176.2	-176.8	-90.6	0	0	0	112.7	D55 P59 A62	Y53-D55 VanDerWaalsContact C-N 3.29Å; Y53-D55 PolarHBondContact O-N 3.19Å; Y53-P59 HydrophobicContact CE2-CB 4.38Å; Y53-P59 WeakPolarHBondContact OH-CB 3.35Å; Y53-P59 WeakPolarHBondContact OH-CD 3.47Å; Y53-A62 HydrophobicContact CD2-CB 3.91Å; Y53-A62 HydrophobicContact CE2-CB 3.89Å
54	E	71.7	Confident	73.9	Confident	186 Å²	186	83.7 Å²	83.7	87%	0.869	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-71.7	-21.2	-178.5	-61.4	177.6	175.9	0	0	113	C52 V56	C52-E54 PolarHBondContact O-N 2.84Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 2.92Å
55	D	69.1	Low	74.4	Confident	128 Å²	128	84.6 Å²	84.6	68%	0.684	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-86	12.2	-179.5	-62.2	-42.6	0	0	0	113.7	C52 Y53	C52-D55 WeakPolarHBondContact CB-OD2 3.43Å; C52-D55 PolarHBondContact O-N 3.08Å; Y53-D55 VanDerWaalsContact C-N 3.29Å; Y53-D55 PolarHBondContact O-N 3.19Å
56	V	79.8	Confident	74.9	Confident	18 Å²	18	86.2 Å²	86.2	11%	0.109	43%	0.434	C	S	.	.	S	Bend	trans	-136	137.9	-167.6	-168.5	0	0	0	0	112	F51 E54 G58 E61 A62 K65	F51-V56 HydrophobicContact CE2-CG2 3.93Å; F51-V56 HydrophobicContact CZ-CG2 3.74Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 2.92Å; V56-G58 PolarHBondContact O-N 2.92Å; V56-G58 VanDerWaalsContact O-N 3.14Å; V56-E61 HydrophobicContact CG1-CB 3.67Å; V56-E61 VanDerWaalsContact CG1-CD 3.44Å; V56-E61 HydrophobicContact CG1-CG 3.63Å; V56-E61 VanDerWaalsContact CG1-OE2 3.31Å; V56-E61 WeakPolarHBondContact CG1-OE2 3.34Å; V56-A62 HydrophobicContact CB-CB 4.29Å; V56-A62 HydrophobicContact CG1-CB 3.99Å; V56-K65 HydrophobicContact CG1-CD 4.25Å; V56-K65 HydrophobicContact CG2-CD 4.26Å
57	T	73.4	Confident	75.4	Confident	137 Å²	137	89.5 Å²	89.5	84%	0.84	44%	0.443	S	S	*	.	S	Bend	trans	-73.3	-10.7	-166.5	70.6	0	0	0	0	114.6	E61	T57-E61 WeakPolarHBondContact CB-OE2 3.39Å; T57-E61 PolarHBondContact N-OE2 3.17Å; T57-E61 PolarHBondContact OG1-OE2 2.88Å
58	G	78.9	Confident	75.8	Confident	19 Å²	19	91 Å²	91	20%	0.196	44%	0.444	C	S	.	.	S	Bend	trans	178	171.4	173	0	0	0	0	0	114.1	V56 H60 E61 A62	V56-G58 PolarHBondContact O-N 2.92Å; V56-G58 VanDerWaalsContact O-N 3.14Å; G58-H60 VanDerWaalsContact C-N 3.28Å; G58-H60 PolarHBondContact O-N 2.9Å; G58-E61 PolarHBondContact O-N 3.41Å; G58-A62 PolarHBondContact O-N 3.49Å
59	P	73.1	Confident	75.9	Confident	74 Å²	74	89.2 Å²	89.2	48%	0.481	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-32.2	-172.2	23.2	-33.2	0	0	0	113.4	Y53 A62 F63	Y53-P59 HydrophobicContact CE2-CB 4.38Å; Y53-P59 WeakPolarHBondContact OH-CB 3.35Å; Y53-P59 WeakPolarHBondContact OH-CD 3.47Å; P59-A62 PolarHBondContact O-N 3.08Å; P59-F63 WeakPolarHBondContact O-CD2 3.46Å; P59-F63 PolarHBondContact O-N 3.32Å
60	H	69.6	Low	76.4	Confident	127 Å²	127	86.5 Å²	86.5	59%	0.588	43%	0.431	S	S	*	.	H	α-helix	trans	-67.2	-45	179.5	-167.3	-75.4	0	0	0	111.8	G58 A62 F63 S64	G58-H60 VanDerWaalsContact C-N 3.28Å; G58-H60 PolarHBondContact O-N 2.9Å; H60-A62 VanDerWaalsContact C-N 3.33Å; H60-F63 PolarHBondContact O-N 3.28Å; H60-S64 PolarHBondContact O-N 3.11Å; H60-S64 PolarHBondContact O-OG 3.49Å
61	E	75.9	Confident	76.6	Confident	60 Å²	60	82.2 Å²	82.2	28%	0.28	42%	0.415	S	S	.	.	H	α-helix	trans	-65.7	-38.5	175.3	-171.2	-164.5	173.1	0	0	110.8	V56 T57 G58 S64 K65	V56-E61 HydrophobicContact CG1-CB 3.67Å; V56-E61 VanDerWaalsContact CG1-CD 3.44Å; V56-E61 HydrophobicContact CG1-CG 3.63Å; V56-E61 VanDerWaalsContact CG1-OE2 3.31Å; V56-E61 WeakPolarHBondContact CG1-OE2 3.34Å; T57-E61 WeakPolarHBondContact CB-OE2 3.39Å; T57-E61 PolarHBondContact N-OE2 3.17Å; T57-E61 PolarHBondContact OG1-OE2 2.88Å; G58-E61 PolarHBondContact O-N 3.41Å; E61-S64 PolarHBondContact O-N 3.18Å; E61-K65 HydrophobicContact CG-CD 4.26Å; E61-K65 PolarHBondContact O-N 3.02Å; E61-K65 WeakPolarHBondContact OE1-CE 3.37Å; E61-K65 IonicContact OE1-NZ 2.9Å; E61-K65 PolarHBondContact OE1-NZ 3.11Å
62	A	80.2	Confident	76.5	Confident	2 Å²	2	85.9 Å²	85.9	2%	0.017	43%	0.428	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176.9	0	0	0	0	0	112.3	F51 Y53 V56 G58 P59 H60 K65 L66	F51-A62 HydrophobicContact CE1-CB 4.35Å; F51-A62 HydrophobicContact CZ-CB 3.95Å; Y53-A62 HydrophobicContact CD2-CB 3.91Å; Y53-A62 HydrophobicContact CE2-CB 3.89Å; V56-A62 HydrophobicContact CB-CB 4.29Å; V56-A62 HydrophobicContact CG1-CB 3.99Å; G58-A62 PolarHBondContact O-N 3.49Å; P59-A62 PolarHBondContact O-N 3.08Å; H60-A62 VanDerWaalsContact C-N 3.33Å; A62-K65 PolarHBondContact O-N 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.5Å; A62-L66 WeakPolarHBondContact O-CG 3.27Å; A62-L66 PolarHBondContact O-N 2.99Å
63	F	77.8	Confident	76.9	Confident	155 Å²	155	82.9 Å²	82.9	68%	0.68	41%	0.407	S	S	*	.	H	α-helix	trans	-64	-38.7	173	-83.7	-63.2	0	0	0	112.6	P59 H60 W67	P59-F63 WeakPolarHBondContact O-CD2 3.46Å; P59-F63 PolarHBondContact O-N 3.32Å; H60-F63 PolarHBondContact O-N 3.28Å; F63-W67 WeakPolarHBondContact O-CB 3.26Å; F63-W67 PolarHBondContact O-N 2.83Å
64	S	80.3	Confident	77.2	Confident	55 Å²	55	77.1 Å²	77.1	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-62.7	-47.6	174.9	-65.3	0	0	0	0	112.5	H60 E61 W67 E68	H60-S64 PolarHBondContact O-N 3.11Å; H60-S64 PolarHBondContact O-OG 3.49Å; E61-S64 PolarHBondContact O-N 3.18Å; S64-W67 PolarHBondContact O-N 3.1Å; S64-E68 PolarHBondContact O-N 3.16Å
65	K	78.9	Confident	77.4	Confident	81 Å²	81	72.6 Å²	72.6	35%	0.352	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-44.6	178.9	-74.8	174	169.3	172.7	0	112.2	F51 V56 E61 A62 W67 E68 L69	F51-K65 HydrophobicContact CE2-CB 3.76Å; F51-K65 HydrophobicContact CE2-CD 4.39Å; F51-K65 HydrophobicContact CZ-CB 4.39Å; V56-K65 HydrophobicContact CG1-CD 4.25Å; V56-K65 HydrophobicContact CG2-CD 4.26Å; E61-K65 HydrophobicContact CG-CD 4.26Å; E61-K65 PolarHBondContact O-N 3.02Å; E61-K65 WeakPolarHBondContact OE1-CE 3.37Å; E61-K65 IonicContact OE1-NZ 2.9Å; E61-K65 PolarHBondContact OE1-NZ 3.11Å; A62-K65 PolarHBondContact O-N 3.29Å; K65-W67 PolarHBondContact O-N 3.4Å; K65-E68 PolarHBondContact O-N 2.86Å; K65-L69 WeakPolarHBondContact O-CG 3.47Å; K65-L69 PolarHBondContact O-N 3.11Å; K65-L69 VanDerWaalsContact O-N 3.07Å
66	L	79.6	Confident	77.6	Confident	48 Å²	48	69.7 Å²	69.7	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-41	174	-77.6	168.2	0	0	0	112.3	F48 F51 A62 L69 C70	F48-L66 HydrophobicContact CD2-CD2 3.97Å; F48-L66 HydrophobicContact CE2-CD2 3.71Å; F51-L66 HydrophobicContact CB-CD2 4.15Å; F51-L66 HydrophobicContact CD1-CD1 4.01Å; F51-L66 HydrophobicContact CD1-CD2 3.51Å; F51-L66 HydrophobicContact CD1-CG 3.72Å; F51-L66 HydrophobicContact CD2-CD2 4.33Å; F51-L66 HydrophobicContact CD2-CG 4.45Å; F51-L66 HydrophobicContact CE1-CD1 3.68Å; F51-L66 HydrophobicContact CE1-CD2 3.96Å; F51-L66 HydrophobicContact CE1-CG 3.6Å; F51-L66 HydrophobicContact CE2-CG 4.34Å; F51-L66 HydrophobicContact CG-CD2 3.72Å; F51-L66 HydrophobicContact CG-CG 4.16Å; F51-L66 HydrophobicContact CZ-CD1 4.31Å; F51-L66 HydrophobicContact CZ-CG 3.93Å; A62-L66 WeakPolarHBondContact O-CB 3.5Å; A62-L66 WeakPolarHBondContact O-CG 3.27Å; A62-L66 PolarHBondContact O-N 2.99Å; L66-L69 PolarHBondContact O-N 3.18Å; L66-C70 WeakPolarHBondContact O-CB 3.5Å; L66-C70 PolarHBondContact O-N 3.29Å; L66-C70 PolarHBondContact O-SG 2.86Å; L66-C70 VanDerWaalsContact O-SG 3.41Å
67	W	80.8	Confident	77.4	Confident	188 Å²	188	78 Å²	78	71%	0.712	39%	0.389	S	S	*	.	H	α-helix	trans	-62.8	-43.6	177.2	178.1	-100.4	0	0	0	111.9	F63 S64 K65 C70 C71	F63-W67 WeakPolarHBondContact O-CB 3.26Å; F63-W67 PolarHBondContact O-N 2.83Å; S64-W67 PolarHBondContact O-N 3.1Å; K65-W67 PolarHBondContact O-N 3.4Å; W67-C70 PolarHBondContact O-N 2.84Å; W67-C71 VanDerWaalsContact CE2-SG 3.57Å; W67-C71 WeakPolarHBondContact O-CB 3.27Å; W67-C71 PolarHBondContact O-N 3.08Å; W67-C71 PolarHBondContact O-SG 3.11Å
68	E	80.1	Confident	77.1	Confident	93 Å²	93	79 Å²	79	44%	0.435	39%	0.386	S	S	.	.	H	α-helix	trans	-64.4	-45.2	178.1	-165.8	-170.2	146.1	0	0	112.2	S64 K65 C71 R72	S64-E68 PolarHBondContact O-N 3.16Å; K65-E68 PolarHBondContact O-N 2.86Å; E68-C71 PolarHBondContact O-N 2.91Å; E68-R72 PolarHBondContact O-N 3.26Å; E68-R72 IonicContact OE1-CZ 3.47Å; E68-R72 IonicContact OE1-NE 2.87Å; E68-R72 IonicContact OE1-NH1 3.27Å; E68-R72 PolarHBondContact OE1-NH1 2.65Å; E68-R72 IonicContact OE1-NH2 3.66Å
69	L	80.4	Confident	76.9	Confident	30 Å²	30	81.6 Å²	81.6	16%	0.157	39%	0.39	C	S	.	.	H	α-helix	trans	-59.6	-46.3	174.9	-71.6	171.6	0	0	0	111.4	F44 C47 F48 F51 K65 L66 C71 R72 W73	F44-L69 HydrophobicContact CD1-CD2 4.04Å; C47-L69 HydrophobicContact CB-CD2 3.9Å; F48-L69 HydrophobicContact CB-CB 4.48Å; F48-L69 HydrophobicContact CD2-CB 4.24Å; F51-L69 HydrophobicContact CD2-CD1 4.31Å; K65-L69 WeakPolarHBondContact O-CG 3.47Å; K65-L69 PolarHBondContact O-N 3.11Å; K65-L69 VanDerWaalsContact O-N 3.07Å; L66-L69 PolarHBondContact O-N 3.18Å; L69-C71 PolarHBondContact O-N 3.36Å; L69-R72 PolarHBondContact O-N 3.24Å; L69-W73 WeakPolarHBondContact O-CB 3.44Å; L69-W73 PolarHBondContact O-N 2.97Å
70	C	79.6	Confident	77.3	Confident	30 Å²	30	80 Å²	80	20%	0.203	38%	0.381	C	S	.	.	H	α-helix	trans	-57.4	-45.1	172.8	-81.1	0	0	0	0	112.4	F48 L66 W67 L74	F48-C70 WeakPolarHBondContact CE2-SG 3.45Å; L66-C70 WeakPolarHBondContact O-CB 3.5Å; L66-C70 PolarHBondContact O-N 3.29Å; L66-C70 PolarHBondContact O-SG 2.86Å; L66-C70 VanDerWaalsContact O-SG 3.41Å; W67-C70 PolarHBondContact O-N 2.84Å; C70-L74 HydrophobicContact CB-CD1 4.47Å; C70-L74 VanDerWaalsContact O-CB 3.23Å; C70-L74 WeakPolarHBondContact O-CB 3.39Å; C70-L74 PolarHBondContact O-N 3.47Å
71	C	77.1	Confident	77.6	Confident	39 Å²	39	82.5 Å²	82.5	26%	0.264	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-43.3	179.3	-68.9	0	0	0	0	112	W67 E68 L69 K75	W67-C71 VanDerWaalsContact CE2-SG 3.57Å; W67-C71 WeakPolarHBondContact O-CB 3.27Å; W67-C71 PolarHBondContact O-N 3.08Å; W67-C71 PolarHBondContact O-SG 3.11Å; E68-C71 PolarHBondContact O-N 2.91Å; L69-C71 PolarHBondContact O-N 3.36Å; C71-K75 VanDerWaalsContact O-CA 3.26Å; C71-K75 WeakPolarHBondContact O-CA 3.44Å; C71-K75 PolarHBondContact O-N 3.28Å
72	R	76.9	Confident	77.7	Confident	127 Å²	127	86.3 Å²	86.3	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-69.7	-37.5	179.8	-75.5	-178.5	164.6	167	-5.9	113.3	F44 E68 L69 K75	F44-R72 HydrophobicContact CD1-CB 4.34Å; F44-R72 HydrophobicContact CD2-CB 3.87Å; F44-R72 HydrophobicContact CE2-CB 4.19Å; F44-R72 HydrophobicContact CG-CB 3.98Å; E68-R72 PolarHBondContact O-N 3.26Å; E68-R72 IonicContact OE1-CZ 3.47Å; E68-R72 IonicContact OE1-NE 2.87Å; E68-R72 IonicContact OE1-NH1 3.27Å; E68-R72 PolarHBondContact OE1-NH1 2.65Å; E68-R72 IonicContact OE1-NH2 3.66Å; L69-R72 PolarHBondContact O-N 3.24Å; R72-K75 WeakPolarHBondContact O-CE 3.3Å; R72-K75 VanDerWaalsContact O-CG 3.31Å; R72-K75 WeakPolarHBondContact O-CG 3.29Å
73	W	79.9	Confident	77.4	Confident	5 Å²	5	91.2 Å²	91.2	2%	0.019	43%	0.43	C	S	.	.	H	α-helix	trans	-77.5	-56.2	177.5	168.8	47.3	0	0	0	112.5	F44 R45 F48 L69 R79 L88 E91	F44-W73 HydrophobicContact CB-CB 4.22Å; R45-W73 HydrophobicContact CB-CD2 4.47Å; R45-W73 HydrophobicContact CB-CG 4.21Å; R45-W73 HydrophobicContact CG-CD2 4.49Å; R45-W73 HydrophobicContact CG-CZ2 4.29Å; F48-W73 HydrophobicContact CD1-CE3 4.44Å; F48-W73 HydrophobicContact CD1-CZ3 4.19Å; F48-W73 HydrophobicContact CE1-CZ3 4.29Å; L69-W73 WeakPolarHBondContact O-CB 3.44Å; L69-W73 PolarHBondContact O-N 2.97Å; W73-R79 PolarHBondContact O-NH1 3.28Å; W73-L88 HydrophobicContact CH2-CD2 3.85Å; W73-L88 HydrophobicContact CZ3-CD2 3.99Å; W73-E91 HydrophobicContact CH2-CB 4.47Å; W73-E91 HydrophobicContact CH2-CG 3.55Å; W73-E91 HydrophobicContact CZ2-CG 3.52Å
74	L	77.3	Confident	77.5	Confident	18 Å²	18	85.2 Å²	85.2	9%	0.094	41%	0.405	C	S	.	.	H	α-helix	trans	-77.3	-22	-174.2	-60.3	172.7	0	0	0	113	C70 R79 I84 L87 L88	C70-L74 HydrophobicContact CB-CD1 4.47Å; C70-L74 VanDerWaalsContact O-CB 3.23Å; C70-L74 WeakPolarHBondContact O-CB 3.39Å; C70-L74 PolarHBondContact O-N 3.47Å; L74-R79 WeakPolarHBondContact O-CD 3.28Å; L74-R79 PolarHBondContact O-NH1 3.49Å; L74-I84 HydrophobicContact CB-CG2 4.44Å; L74-I84 HydrophobicContact CD1-CG2 4.19Å; L74-I84 HydrophobicContact CD2-CG2 4.39Å; L74-L87 HydrophobicContact CD2-CB 4.24Å; L74-L88 HydrophobicContact CD1-CD2 4.36Å; L74-L88 HydrophobicContact CD2-CD2 4.38Å; L74-L88 HydrophobicContact CD2-CG 4.27Å
75	K	77.7	Confident	77.5	Confident	90 Å²	90	87.7 Å²	87.7	39%	0.391	41%	0.413	S	S	.	.			trans	46	59.5	179.4	-58.7	-173.6	-179.9	179.3	0	112.2	C71 R72 E77 M78 R79	C71-K75 VanDerWaalsContact O-CA 3.26Å; C71-K75 WeakPolarHBondContact O-CA 3.44Å; C71-K75 PolarHBondContact O-N 3.28Å; R72-K75 WeakPolarHBondContact O-CE 3.3Å; R72-K75 VanDerWaalsContact O-CG 3.31Å; R72-K75 WeakPolarHBondContact O-CG 3.29Å; K75-E77 PolarHBondContact O-N 3.01Å; K75-M78 HydrophobicContact CB-CB 4.44Å; K75-M78 PolarHBondContact O-N 3.08Å; K75-R79 PolarHBondContact O-N 2.89Å
76	P	72.8	Confident	77.6	Confident	68 Å²	68	87.5 Å²	87.5	44%	0.442	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.4	-169.4	28.2	-36.7	0	0	0	114.7	M78 I84	P76-M78 VanDerWaalsContact C-N 3.34Å; P76-I84 HydrophobicContact CB-CD1 4.02Å
77	E	75.9	Confident	77.6	Confident	192 Å²	192	86.4 Å²	86.4	90%	0.897	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.9	172.4	-60.8	174.2	172.3	0	0	112.7	K75	K75-E77 PolarHBondContact O-N 3.01Å
78	M	66.6	Low	77.6	Confident	159 Å²	159	80.8 Å²	80.8	78%	0.783	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	-8.6	-170.9	-65.9	-63.9	-64.1	0	0	114.2	K75 P76	K75-M78 HydrophobicContact CB-CB 4.44Å; K75-M78 PolarHBondContact O-N 3.08Å; P76-M78 VanDerWaalsContact C-N 3.34Å
79	R	75.2	Confident	77.7	Confident	72 Å²	72	80.2 Å²	80.2	27%	0.272	39%	0.394	S	S	.	.	S	Bend	trans	-121.8	145.3	-176.1	-65.9	-166.8	179.2	117.3	-14.6	111.9	W73 L74 K75 Q83 I84 L87	W73-R79 PolarHBondContact O-NH1 3.28Å; L74-R79 WeakPolarHBondContact O-CD 3.28Å; L74-R79 PolarHBondContact O-NH1 3.49Å; K75-R79 PolarHBondContact O-N 2.89Å; R79-Q83 HydrophobicContact CB-CB 4.12Å; R79-I84 HydrophobicContact CB-CD1 4.37Å; R79-I84 HydrophobicContact CB-CG1 3.85Å; R79-L87 VanDerWaalsContact CZ-CD1 3.49Å
80	S	80.2	Confident	77.7	Confident	42 Å²	42	78.8 Å²	78.8	29%	0.294	39%	0.387	S	S	.	.			trans	-67.2	162.3	172.5	95.2	0	0	0	0	111.2	E82 Q83 I84	S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 WeakPolarHBondContact CB-OE2 3.48Å; S80-E82 PolarHBondContact O-N 2.73Å; S80-E82 PolarHBondContact OG-N 2.65Å; S80-E82 PolarHBondContact OG-OE2 3Å; S80-Q83 PolarHBondContact O-N 3.13Å; S80-Q83 PolarHBondContact OG-N 2.66Å; S80-I84 VanDerWaalsContact O-CG1 3.32Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.06Å
81	K	76.4	Confident	77.6	Confident	178 Å²	178	78.2 Å²	78.2	77%	0.774	38%	0.381	S	S	*	.	H	α-helix	trans	-61.6	-35.3	174.9	-67.1	-168	175.7	-165.3	0	112.3	L85	K81-L85 VanDerWaalsContact O-CG 3.29Å; K81-L85 WeakPolarHBondContact O-CG 3.46Å; K81-L85 PolarHBondContact O-N 3.34Å; K81-L85 VanDerWaalsContact O-N 3.09Å
82	E	78.4	Confident	77.7	Confident	140 Å²	140	82 Å²	82	65%	0.654	40%	0.395	S	S	*	.	H	α-helix	trans	-64.6	-45.1	173.8	-57.2	96	-172.8	0	0	111.1	S80 I84 L85 E86	S80-E82 VanDerWaalsContact C-N 3.26Å; S80-E82 WeakPolarHBondContact CB-OE2 3.48Å; S80-E82 PolarHBondContact O-N 2.73Å; S80-E82 PolarHBondContact OG-N 2.65Å; S80-E82 PolarHBondContact OG-OE2 3Å; E82-I84 VanDerWaalsContact C-N 3.32Å; E82-I84 PolarHBondContact O-N 3.5Å; E82-L85 PolarHBondContact O-N 2.73Å; E82-L85 VanDerWaalsContact O-N 3.15Å; E82-E86 PolarHBondContact O-N 3.26Å
83	Q	73.8	Confident	77.9	Confident	105 Å²	105	78.7 Å²	78.7	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-64.3	-33.6	179	-68.3	171.4	-25.7	0	0	113.3	R79 S80 L87	R79-Q83 HydrophobicContact CB-CB 4.12Å; S80-Q83 PolarHBondContact O-N 3.13Å; S80-Q83 PolarHBondContact OG-N 2.66Å; Q83-L87 WeakPolarHBondContact O-CG 3.46Å; Q83-L87 PolarHBondContact O-N 2.89Å
84	I	80.5	Confident	77.6	Confident	29 Å²	29	78.5 Å²	78.5	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-70.3	-39.6	174.4	-64.8	161.8	0	0	0	110.5	L74 P76 R79 S80 E82 L87 L88	L74-I84 HydrophobicContact CB-CG2 4.44Å; L74-I84 HydrophobicContact CD1-CG2 4.19Å; L74-I84 HydrophobicContact CD2-CG2 4.39Å; P76-I84 HydrophobicContact CB-CD1 4.02Å; R79-I84 HydrophobicContact CB-CD1 4.37Å; R79-I84 HydrophobicContact CB-CG1 3.85Å; S80-I84 VanDerWaalsContact O-CG1 3.32Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.06Å; E82-I84 VanDerWaalsContact C-N 3.32Å; E82-I84 PolarHBondContact O-N 3.5Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-L88 HydrophobicContact CG2-CD1 4.12Å; I84-L88 WeakPolarHBondContact O-CG 3.5Å; I84-L88 PolarHBondContact O-N 2.81Å
85	L	79.9	Confident	77.5	Confident	107 Å²	107	81.1 Å²	81.1	56%	0.56	40%	0.4	S	S	*	.	H	α-helix	trans	-67.1	-41.5	175.8	-72.1	168.8	0	0	0	111.9	K81 E82 L87 L88 V89	K81-L85 VanDerWaalsContact O-CG 3.29Å; K81-L85 WeakPolarHBondContact O-CG 3.46Å; K81-L85 PolarHBondContact O-N 3.34Å; K81-L85 VanDerWaalsContact O-N 3.09Å; E82-L85 PolarHBondContact O-N 2.73Å; E82-L85 VanDerWaalsContact O-N 3.15Å; L85-L87 PolarHBondContact O-N 2.98Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-V89 WeakPolarHBondContact O-CB 3.24Å; L85-V89 VanDerWaalsContact O-CG2 3.3Å; L85-V89 WeakPolarHBondContact O-CG2 3.33Å; L85-V89 PolarHBondContact O-N 3.45Å
86	E	80.6	Confident	77.5	Confident	78 Å²	78	83 Å²	83	36%	0.364	41%	0.413	S	S	.	.	H	α-helix	trans	-54.6	-48.9	172.8	-80.9	-67.4	121	0	0	111.7	E82 L88 V89 I90 G113	E82-E86 PolarHBondContact O-N 3.26Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 2.98Å; E86-V89 PolarHBondContact O-N 2.86Å; E86-V89 VanDerWaalsContact O-N 3.15Å; E86-I90 WeakPolarHBondContact O-CD1 3.17Å; E86-I90 VanDerWaalsContact O-CG1 3.24Å; E86-I90 WeakPolarHBondContact O-CG1 3.48Å; E86-I90 PolarHBondContact O-N 3.21Å; E86-G113 PolarHBondContact OE2-N 3.3Å
87	L	79.1	Confident	77.8	Confident	24 Å²	24	80.8 Å²	80.8	13%	0.126	40%	0.397	C	S	.	.	H	α-helix	trans	-61.9	-36.2	178.8	-70.2	169.5	0	0	0	113.1	L74 R79 Q83 I84 L85 E91	L74-L87 HydrophobicContact CD2-CB 4.24Å; R79-L87 VanDerWaalsContact CZ-CD1 3.49Å; Q83-L87 WeakPolarHBondContact O-CG 3.46Å; Q83-L87 PolarHBondContact O-N 2.89Å; I84-L87 PolarHBondContact O-N 3.4Å; L85-L87 PolarHBondContact O-N 2.98Å; L87-E91 PolarHBondContact O-N 2.89Å
88	L	80.6	Confident	77.9	Confident	71 Å²	71	75.8 Å²	75.8	37%	0.372	38%	0.382	S	S	.	.	H	α-helix	trans	-72.2	-36.4	174.8	-70.4	164.5	0	0	0	112.2	W73 L74 I84 L85 E86 E91 Q92	W73-L88 HydrophobicContact CH2-CD2 3.85Å; W73-L88 HydrophobicContact CZ3-CD2 3.99Å; L74-L88 HydrophobicContact CD1-CD2 4.36Å; L74-L88 HydrophobicContact CD2-CD2 4.38Å; L74-L88 HydrophobicContact CD2-CG 4.27Å; I84-L88 HydrophobicContact CG2-CD1 4.12Å; I84-L88 WeakPolarHBondContact O-CG 3.5Å; I84-L88 PolarHBondContact O-N 2.81Å; L85-L88 PolarHBondContact O-N 3.44Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 2.98Å; L88-E91 PolarHBondContact O-N 3.43Å; L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.49Å
89	V	82.4	Confident	78.1	Confident	81 Å²	81	75.8 Å²	75.8	49%	0.491	38%	0.38	S	S	.	.	H	α-helix	trans	-68.5	-38.9	175.4	168.3	0	0	0	0	111.1	L85 E86 E91 Q92 F93	L85-V89 WeakPolarHBondContact O-CB 3.24Å; L85-V89 VanDerWaalsContact O-CG2 3.3Å; L85-V89 WeakPolarHBondContact O-CG2 3.33Å; L85-V89 PolarHBondContact O-N 3.45Å; E86-V89 PolarHBondContact O-N 2.86Å; E86-V89 VanDerWaalsContact O-N 3.15Å; V89-E91 PolarHBondContact O-N 3.01Å; V89-Q92 PolarHBondContact O-N 2.98Å; V89-F93 VanDerWaalsContact O-CB 3.3Å; V89-F93 WeakPolarHBondContact O-CB 3.26Å; V89-F93 PolarHBondContact O-N 3.22Å
90	I	80.4	Confident	78	Confident	0 Å²	0	80 Å²	80	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-61	-43.6	173.3	-65.8	160.5	0	0	0	110.3	E86 F93 L94 P110 S112	E86-I90 WeakPolarHBondContact O-CD1 3.17Å; E86-I90 VanDerWaalsContact O-CG1 3.24Å; E86-I90 WeakPolarHBondContact O-CG1 3.48Å; E86-I90 PolarHBondContact O-N 3.21Å; I90-F93 PolarHBondContact O-N 3.23Å; I90-L94 HydrophobicContact CG2-CD1 3.77Å; I90-L94 HydrophobicContact CG2-CG 4.32Å; I90-L94 WeakPolarHBondContact O-CB 3.22Å; I90-L94 WeakPolarHBondContact O-CG 3.34Å; I90-L94 PolarHBondContact O-N 3.04Å; I90-P110 HydrophobicContact CG2-CG 4.24Å; I90-S112 VanDerWaalsContact CD1-C 3.48Å
91	E	78.6	Confident	77.7	Confident	18 Å²	18	79.8 Å²	79.8	8%	0.084	40%	0.395	C	S	.	.	H	α-helix	trans	-63	-44	173.3	-74.8	-58.2	91.9	0	0	113	R45 R49 W73 L87 L88 V89 F93 L94 T95	R45-E91 IonicContact CZ-OE1 3.23Å; R45-E91 VanDerWaalsContact NE-CD 3.32Å; R45-E91 IonicContact NE-OE1 2.93Å; R45-E91 PolarHBondContact NE-OE1 2.83Å; R45-E91 IonicContact NE-OE2 3.66Å; R45-E91 IonicContact NH2-OE1 2.79Å; R45-E91 PolarHBondContact NH2-OE1 3.2Å; R49-E91 IonicContact CZ-OE1 3.45Å; R49-E91 IonicContact CZ-OE2 3.5Å; R49-E91 VanDerWaalsContact CZ-OE2 3.23Å; R49-E91 IonicContact NE-OE2 3.57Å; R49-E91 PolarHBondContact NE-OE2 3.26Å; R49-E91 VanDerWaalsContact NH2-CD 3.28Å; R49-E91 IonicContact NH2-OE1 3.49Å; R49-E91 PolarHBondContact NH2-OE1 2.99Å; R49-E91 IonicContact NH2-OE2 2.63Å; R49-E91 PolarHBondContact NH2-OE2 3.4Å; W73-E91 HydrophobicContact CH2-CB 4.47Å; W73-E91 HydrophobicContact CH2-CG 3.55Å; W73-E91 HydrophobicContact CZ2-CG 3.52Å; L87-E91 PolarHBondContact O-N 2.89Å; L88-E91 PolarHBondContact O-N 3.43Å; V89-E91 PolarHBondContact O-N 3.01Å; E91-F93 VanDerWaalsContact C-N 3.28Å; E91-F93 PolarHBondContact O-N 3.35Å; E91-L94 PolarHBondContact O-N 3.49Å; E91-T95 WeakPolarHBondContact O-CG2 3.28Å; E91-T95 PolarHBondContact O-N 2.87Å; E91-T95 PolarHBondContact O-OG1 2.52Å
92	Q	79.5	Confident	77.6	Confident	118 Å²	118	73.6 Å²	73.6	55%	0.551	37%	0.369	S	S	*	.	H	α-helix	trans	-67.5	-32.2	-179.5	-169.6	55.1	84	0	0	111.9	L88 V89 T95 I96	L88-Q92 WeakPolarHBondContact O-CB 3.42Å; L88-Q92 PolarHBondContact O-N 3.49Å; V89-Q92 PolarHBondContact O-N 2.98Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.48Å; Q92-T95 PolarHBondContact NE2-OG1 3.2Å; Q92-T95 VanDerWaalsContact NE2-OG1 3.1Å; Q92-T95 PolarHBondContact O-OG1 2.8Å; Q92-T95 VanDerWaalsContact O-OG1 3.06Å; Q92-I96 HydrophobicContact CG-CD1 4.44Å; Q92-I96 VanDerWaalsContact O-CD1 3.23Å; Q92-I96 WeakPolarHBondContact O-CD1 3.46Å; Q92-I96 VanDerWaalsContact O-CG1 3.28Å; Q92-I96 WeakPolarHBondContact O-CG1 3.45Å
93	F	79.3	Confident	77.4	Confident	58 Å²	58	69.8 Å²	69.8	25%	0.254	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-51.9	171.1	178.6	-107.5	0	0	0	111.3	V89 I90 E91 T95 I96 L97 A116 V117 V120	V89-F93 VanDerWaalsContact O-CB 3.3Å; V89-F93 WeakPolarHBondContact O-CB 3.26Å; V89-F93 PolarHBondContact O-N 3.22Å; I90-F93 PolarHBondContact O-N 3.23Å; E91-F93 VanDerWaalsContact C-N 3.28Å; E91-F93 PolarHBondContact O-N 3.35Å; F93-T95 PolarHBondContact O-N 3.44Å; F93-T95 VanDerWaalsContact O-N 3.14Å; F93-I96 PolarHBondContact O-N 2.98Å; F93-L97 HydrophobicContact CD1-CD1 4.34Å; F93-L97 HydrophobicContact CE1-CD1 4.02Å; F93-L97 HydrophobicContact CE1-CD2 4.4Å; F93-L97 HydrophobicContact CE2-CD2 4.42Å; F93-L97 HydrophobicContact CZ-CD2 4.08Å; F93-L97 PolarHBondContact O-N 3.25Å; F93-A116 HydrophobicContact CD1-CB 3.88Å; F93-A116 HydrophobicContact CE1-CB 3.96Å; F93-V117 HydrophobicContact CE1-CG2 4.3Å; F93-V117 HydrophobicContact CE2-CG2 3.95Å; F93-V117 HydrophobicContact CZ-CG2 3.81Å; F93-V120 HydrophobicContact CE1-CG2 3.85Å; F93-V120 HydrophobicContact CZ-CB 4.27Å; F93-V120 HydrophobicContact CZ-CG2 3.99Å
94	L	74.2	Confident	77.5	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-20.5	-179.9	-70.8	172.3	0	0	0	113.5	I90 E91 L97 Q102 A105 Q106	I90-L94 HydrophobicContact CG2-CD1 3.77Å; I90-L94 HydrophobicContact CG2-CG 4.32Å; I90-L94 WeakPolarHBondContact O-CB 3.22Å; I90-L94 WeakPolarHBondContact O-CG 3.34Å; I90-L94 PolarHBondContact O-N 3.04Å; E91-L94 PolarHBondContact O-N 3.49Å; L94-L97 HydrophobicContact CD2-CD1 3.95Å; L94-Q102 VanDerWaalsContact O-CG 3.27Å; L94-Q102 WeakPolarHBondContact O-CG 3.16Å; L94-Q102 PolarHBondContact O-NE2 3.41Å; L94-A105 HydrophobicContact CD2-CB 3.58Å; L94-Q106 HydrophobicContact CB-CG 4.49Å; L94-Q106 HydrophobicContact CD1-CG 4.15Å; L94-Q106 HydrophobicContact CD2-CG 4.32Å
95	T	75.1	Confident	77.2	Confident	73 Å²	73	67.2 Å²	67.2	45%	0.448	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.3	174.8	45.6	0	0	0	0	114.7	E91 Q92 F93	E91-T95 WeakPolarHBondContact O-CG2 3.28Å; E91-T95 PolarHBondContact O-N 2.87Å; E91-T95 PolarHBondContact O-OG1 2.52Å; Q92-T95 WeakPolarHBondContact CA-OG1 3.48Å; Q92-T95 PolarHBondContact NE2-OG1 3.2Å; Q92-T95 VanDerWaalsContact NE2-OG1 3.1Å; Q92-T95 PolarHBondContact O-OG1 2.8Å; Q92-T95 VanDerWaalsContact O-OG1 3.06Å; F93-T95 PolarHBondContact O-N 3.44Å; F93-T95 VanDerWaalsContact O-N 3.14Å
96	I	78.9	Confident	76.7	Confident	128 Å²	128	64.5 Å²	64.5	66%	0.656	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-19.4	177.5	-66.6	165.8	0	0	0	111.8	Q92 F93	Q92-I96 HydrophobicContact CG-CD1 4.44Å; Q92-I96 VanDerWaalsContact O-CD1 3.23Å; Q92-I96 WeakPolarHBondContact O-CD1 3.46Å; Q92-I96 VanDerWaalsContact O-CG1 3.28Å; Q92-I96 WeakPolarHBondContact O-CG1 3.45Å; F93-I96 PolarHBondContact O-N 2.98Å
97	L	77.9	Confident	76.4	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.12	34%	0.336	C	S	.	.	S	Bend	trans	-67.6	144.2	178.6	-63.1	172.8	0	0	0	112.1	F93 L94 I101 Q102 A105 V120	F93-L97 HydrophobicContact CD1-CD1 4.34Å; F93-L97 HydrophobicContact CE1-CD1 4.02Å; F93-L97 HydrophobicContact CE1-CD2 4.4Å; F93-L97 HydrophobicContact CE2-CD2 4.42Å; F93-L97 HydrophobicContact CZ-CD2 4.08Å; F93-L97 PolarHBondContact O-N 3.25Å; L94-L97 HydrophobicContact CD2-CD1 3.95Å; L97-I101 HydrophobicContact CB-CG2 4.4Å; L97-I101 HydrophobicContact CD1-CG2 4.27Å; L97-I101 HydrophobicContact CD2-CG2 4.32Å; L97-Q102 HydrophobicContact CB-CB 4.04Å; L97-A105 HydrophobicContact CD1-CB 4.12Å; L97-V120 HydrophobicContact CD1-CG2 3.65Å; L97-V120 HydrophobicContact CD2-CG1 3.98Å; L97-V120 HydrophobicContact CD2-CG2 4.02Å
98	P	77.9	Confident	76	Confident	87 Å²	87	68.7 Å²	68.7	57%	0.565	35%	0.347	S	S	*	.			trans	-57.5	139.7	172.3	-23.4	33.4	0	0	0	111.8	K100 I101 Q102	P98-K100 VanDerWaalsContact C-N 3.26Å; P98-K100 PolarHBondContact O-N 3.35Å; P98-I101 HydrophobicContact CG-CD1 4.38Å; P98-I101 WeakPolarHBondContact O-CA 3.28Å; P98-I101 PolarHBondContact O-N 2.82Å; P98-Q102 PolarHBondContact O-N 3.19Å
99	E	72.2	Confident	75.2	Confident	159 Å²	159	67.9 Å²	67.9	74%	0.743	35%	0.347	S	S	*	.	H	α-helix	trans	-41.7	-43.6	-169.7	-62.1	175.3	163.4	0	0	115.3	A103	E99-A103 VanDerWaalsContact O-CB 3.32Å; E99-A103 WeakPolarHBondContact O-CB 3.44Å; E99-A103 PolarHBondContact O-N 3.28Å
100	K	71.9	Confident	74.6	Confident	159 Å²	159	64.2 Å²	64.2	69%	0.691	33%	0.325	S	S	*	.	H	α-helix	trans	-67.8	-39	178.9	-62.2	-169.1	177	-168.3	0	113.3	P98 W104	P98-K100 VanDerWaalsContact C-N 3.26Å; P98-K100 PolarHBondContact O-N 3.35Å; K100-W104 PolarHBondContact O-N 3.37Å
101	I	73.4	Confident	73.8	Confident	39 Å²	39	72.3 Å²	72.3	20%	0.2	36%	0.363	C	S	.	.	H	α-helix	trans	-76.4	-39.6	177	-59.1	179.2	0	0	0	109.6	L97 P98 W104 A105 V120 L123	L97-I101 HydrophobicContact CB-CG2 4.4Å; L97-I101 HydrophobicContact CD1-CG2 4.27Å; L97-I101 HydrophobicContact CD2-CG2 4.32Å; P98-I101 HydrophobicContact CG-CD1 4.38Å; P98-I101 WeakPolarHBondContact O-CA 3.28Å; P98-I101 PolarHBondContact O-N 2.82Å; I101-W104 PolarHBondContact O-N 2.95Å; I101-A105 VanDerWaalsContact O-CB 3.28Å; I101-A105 WeakPolarHBondContact O-CB 3.37Å; I101-A105 PolarHBondContact O-N 3.35Å; I101-V120 HydrophobicContact CG2-CG1 4.23Å; I101-V120 HydrophobicContact CG2-CG2 4.2Å; I101-L123 HydrophobicContact CB-CD2 4.4Å; I101-L123 HydrophobicContact CG1-CD2 4.08Å; I101-L123 HydrophobicContact CG2-CD2 4.04Å
102	Q	75.9	Confident	73.7	Confident	47 Å²	47	73.3 Å²	73.3	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-55.6	-53.1	172.2	169.4	177	65.5	0	0	111.6	L94 L97 P98 W104 A105 Q106	L94-Q102 VanDerWaalsContact O-CG 3.27Å; L94-Q102 WeakPolarHBondContact O-CG 3.16Å; L94-Q102 PolarHBondContact O-NE2 3.41Å; L97-Q102 HydrophobicContact CB-CB 4.04Å; P98-Q102 PolarHBondContact O-N 3.19Å; Q102-W104 VanDerWaalsContact C-N 3.33Å; Q102-W104 PolarHBondContact O-N 3.05Å; Q102-A105 PolarHBondContact O-N 2.94Å; Q102-Q106 VanDerWaalsContact O-CB 3.32Å; Q102-Q106 WeakPolarHBondContact O-CB 3.43Å; Q102-Q106 WeakPolarHBondContact O-CG 3.43Å; Q102-Q106 PolarHBondContact O-N 2.9Å
103	A	73	Confident	73.3	Confident	61 Å²	61	68.5 Å²	68.5	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-40.4	-179.9	0	0	0	0	0	112.2	E99 K107	E99-A103 VanDerWaalsContact O-CB 3.32Å; E99-A103 WeakPolarHBondContact O-CB 3.44Å; E99-A103 PolarHBondContact O-N 3.28Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.15Å
104	W	76.8	Confident	73.2	Confident	78 Å²	78	73.5 Å²	73.5	30%	0.295	38%	0.378	S	S	.	.	H	α-helix	trans	-65.9	-48.5	175.3	-179.9	89.5	0	0	0	112.2	K100 I101 Q102 Q106 K107 Q108 L119 L123	K100-W104 PolarHBondContact O-N 3.37Å; I101-W104 PolarHBondContact O-N 2.95Å; Q102-W104 VanDerWaalsContact C-N 3.33Å; Q102-W104 PolarHBondContact O-N 3.05Å; W104-Q106 VanDerWaalsContact C-N 3.3Å; W104-Q106 PolarHBondContact O-N 3.2Å; W104-K107 WeakPolarHBondContact O-CB 3.32Å; W104-K107 PolarHBondContact O-N 3.12Å; W104-Q108 HydrophobicContact CD2-CG 4.47Å; W104-Q108 HydrophobicContact CH2-CG 4.33Å; W104-Q108 HydrophobicContact CZ2-CG 4.24Å; W104-Q108 HydrophobicContact CZ3-CG 4.49Å; W104-Q108 PolarHBondContact O-N 3.29Å; W104-L119 HydrophobicContact CH2-CB 4.21Å; W104-L119 HydrophobicContact CH2-CD2 4.18Å; W104-L119 HydrophobicContact CZ3-CB 3.99Å; W104-L123 HydrophobicContact CD2-CD1 4.17Å; W104-L123 HydrophobicContact CD2-CD2 4.06Å; W104-L123 HydrophobicContact CE3-CB 4.43Å; W104-L123 HydrophobicContact CE3-CD1 4.44Å; W104-L123 HydrophobicContact CE3-CD2 3.81Å; W104-L123 HydrophobicContact CE3-CG 4.45Å; W104-L123 HydrophobicContact CG-CD2 4.44Å; W104-L123 HydrophobicContact CH2-CB 4.27Å; W104-L123 HydrophobicContact CH2-CD1 4.48Å; W104-L123 HydrophobicContact CZ2-CD1 4.22Å; W104-L123 HydrophobicContact CZ3-CB 4.06Å; W104-L123 HydrophobicContact CZ3-CD2 4.28Å
105	A	72.7	Confident	73.3	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.008	40%	0.398	C	S	.	.	H	α-helix	trans	-66.7	-31.6	-179.4	0	0	0	0	0	112.4	L94 L97 I101 Q102 Q108 P110 V120	L94-A105 HydrophobicContact CD2-CB 3.58Å; L97-A105 HydrophobicContact CD1-CB 4.12Å; I101-A105 VanDerWaalsContact O-CB 3.28Å; I101-A105 WeakPolarHBondContact O-CB 3.37Å; I101-A105 PolarHBondContact O-N 3.35Å; Q102-A105 PolarHBondContact O-N 2.94Å; A105-Q108 PolarHBondContact O-N 2.67Å; A105-P110 WeakPolarHBondContact O-CD 3.46Å; A105-V120 HydrophobicContact CB-CG2 4.34Å
106	Q	71.3	Confident	73.4	Confident	50 Å²	50	74.4 Å²	74.4	23%	0.234	38%	0.377	C	S	.	.	H	α-helix	trans	-68.3	-31.5	171.1	-72.6	177.2	19.8	0	0	112.6	L94 Q102 W104 Q108 C109	L94-Q106 HydrophobicContact CB-CG 4.49Å; L94-Q106 HydrophobicContact CD1-CG 4.15Å; L94-Q106 HydrophobicContact CD2-CG 4.32Å; Q102-Q106 VanDerWaalsContact O-CB 3.32Å; Q102-Q106 WeakPolarHBondContact O-CB 3.43Å; Q102-Q106 WeakPolarHBondContact O-CG 3.43Å; Q102-Q106 PolarHBondContact O-N 2.9Å; W104-Q106 VanDerWaalsContact C-N 3.3Å; W104-Q106 PolarHBondContact O-N 3.2Å; Q106-Q108 PolarHBondContact O-N 3.41Å; Q106-C109 PolarHBondContact O-N 3.28Å; Q106-C109 PolarHBondContact O-SG 3.42Å; Q106-C109 VanDerWaalsContact O-SG 3.42Å
107	K	74.3	Confident	73.4	Confident	112 Å²	112	71.6 Å²	71.6	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-68.7	-14.2	173	-164.4	-178.5	177.5	-172.8	0	113.1	A103 W104	A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.15Å; W104-K107 WeakPolarHBondContact O-CB 3.32Å; W104-K107 PolarHBondContact O-N 3.12Å
108	Q	69.4	Low	73.5	Confident	78 Å²	78	73.3 Å²	73.3	36%	0.364	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-1.8	179.8	-57	-61.8	-21.2	0	0	114.1	W104 A105 Q106 L119	W104-Q108 HydrophobicContact CD2-CG 4.47Å; W104-Q108 HydrophobicContact CH2-CG 4.33Å; W104-Q108 HydrophobicContact CZ2-CG 4.24Å; W104-Q108 HydrophobicContact CZ3-CG 4.49Å; W104-Q108 PolarHBondContact O-N 3.29Å; A105-Q108 PolarHBondContact O-N 2.67Å; Q106-Q108 PolarHBondContact O-N 3.41Å; Q108-L119 HydrophobicContact CB-CD1 3.83Å
109	C	63.5	Low	73.5	Confident	55 Å²	55	71.1 Å²	71.1	37%	0.372	37%	0.367	S	S	.	.			trans	39.8	53.7	173.3	-60.2	0	0	0	0	117.1	Q106	Q106-C109 PolarHBondContact O-N 3.28Å; Q106-C109 PolarHBondContact O-SG 3.42Å; Q106-C109 VanDerWaalsContact O-SG 3.42Å
110	P	70.3	Confident	73.7	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.026	33%	0.334	C	S	.	.			trans	-60.6	140.6	-177.8	24.7	-34.5	0	0	0	113.1	I90 A105 E115 A116 L119	I90-P110 HydrophobicContact CG2-CG 4.24Å; A105-P110 WeakPolarHBondContact O-CD 3.46Å; P110-E115 WeakPolarHBondContact CA-OE2 3.46Å; P110-E115 HydrophobicContact CB-CB 4.27Å; P110-E115 HydrophobicContact CB-CG 4.03Å; P110-A116 HydrophobicContact CB-CB 3.86Å; P110-A116 HydrophobicContact CG-CB 3.71Å; P110-L119 HydrophobicContact CB-CD1 4.07Å; P110-L119 HydrophobicContact CG-CD1 4.4Å
111	Q	64.3	Low	74.1	Confident	170 Å²	170	58.8 Å²	58.8	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	-98.8	-12.6	-176.4	-55.5	-168.3	15.8	0	0	113.6	E115	Q111-E115 PolarHBondContact N-OE2 2.87Å
112	S	75.9	Confident	74.3	Confident	39 Å²	39	61.8 Å²	61.8	27%	0.273	33%	0.328	S	S	.	.	S	Bend	trans	-133.6	152.6	174.2	174.7	0	0	0	0	111.7	I90 E114 E115 A116	I90-S112 VanDerWaalsContact CD1-C 3.48Å; S112-E114 PolarHBondContact O-N 3.38Å; S112-E114 PolarHBondContact OG-N 3.15Å; S112-E115 PolarHBondContact O-N 3.33Å; S112-A116 PolarHBondContact O-N 3.16Å
113	G	72	Confident	74.2	Confident	16 Å²	16	61.1 Å²	61.1	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-34.5	170	0	0	0	0	0	113.2	E86 A116 V117	E86-G113 PolarHBondContact OE2-N 3.3Å; G113-A116 PolarHBondContact O-N 2.88Å; G113-V117 WeakPolarHBondContact O-CG2 3.45Å; G113-V117 PolarHBondContact O-N 3.27Å
114	E	76.6	Confident	74.1	Confident	164 Å²	164	63.6 Å²	63.6	77%	0.766	33%	0.327	S	S	*	.	H	α-helix	trans	-65.2	-40.8	177.1	-61.7	-170.4	163.8	0	0	111.8	S112 A118	S112-E114 PolarHBondContact O-N 3.38Å; S112-E114 PolarHBondContact OG-N 3.15Å; E114-A118 VanDerWaalsContact O-CB 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.29Å; E114-A118 PolarHBondContact O-N 2.91Å
115	E	76.9	Confident	74	Confident	91 Å²	91	66.1 Å²	66.1	43%	0.425	34%	0.34	S	S	.	.	H	α-helix	trans	-68.6	-43.8	177.3	-176.1	177.4	-140	0	0	111.6	P110 Q111 S112 V117 A118 L119	P110-E115 WeakPolarHBondContact CA-OE2 3.46Å; P110-E115 HydrophobicContact CB-CB 4.27Å; P110-E115 HydrophobicContact CB-CG 4.03Å; Q111-E115 PolarHBondContact N-OE2 2.87Å; S112-E115 PolarHBondContact O-N 3.33Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 2.97Å; E115-A118 PolarHBondContact O-N 3.17Å; E115-L119 HydrophobicContact CG-CD1 4.27Å; E115-L119 WeakPolarHBondContact O-CG 3.49Å; E115-L119 PolarHBondContact O-N 3.37Å
116	A	76.4	Confident	73.6	Confident	2 Å²	2	71 Å²	71	2%	0.017	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.8	0	0	0	0	0	111.9	F93 P110 S112 G113 V120	F93-A116 HydrophobicContact CD1-CB 3.88Å; F93-A116 HydrophobicContact CE1-CB 3.96Å; P110-A116 HydrophobicContact CB-CB 3.86Å; P110-A116 HydrophobicContact CG-CB 3.71Å; S112-A116 PolarHBondContact O-N 3.16Å; G113-A116 PolarHBondContact O-N 2.88Å; A116-V120 WeakPolarHBondContact O-CG2 3.32Å; A116-V120 PolarHBondContact O-N 3.08Å
117	V	79.3	Confident	73.2	Confident	68 Å²	68	71.7 Å²	71.7	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-42	175	172	0	0	0	0	111.2	F93 G113 E115 L119 V120 V121	F93-V117 HydrophobicContact CE1-CG2 4.3Å; F93-V117 HydrophobicContact CE2-CG2 3.95Å; F93-V117 HydrophobicContact CZ-CG2 3.81Å; G113-V117 WeakPolarHBondContact O-CG2 3.45Å; G113-V117 PolarHBondContact O-N 3.27Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 2.97Å; V117-L119 PolarHBondContact O-N 3.21Å; V117-V120 PolarHBondContact O-N 3.17Å; V117-V121 HydrophobicContact CG1-CG2 4.1Å; V117-V121 VanDerWaalsContact O-CB 3.31Å; V117-V121 WeakPolarHBondContact O-CB 3.31Å; V117-V121 VanDerWaalsContact O-CG2 3.27Å; V117-V121 WeakPolarHBondContact O-CG2 3.29Å; V117-V121 PolarHBondContact O-N 3.31Å
118	A	80.2	Confident	72.6	Confident	59 Å²	59	67.6 Å²	67.6	49%	0.488	36%	0.36	S	S	.	.	H	α-helix	trans	-60.6	-43	178.5	0	0	0	0	0	112.5	E114 E115 V121 H122	E114-A118 VanDerWaalsContact O-CB 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.29Å; E114-A118 PolarHBondContact O-N 2.91Å; E115-A118 PolarHBondContact O-N 3.17Å; A118-V121 PolarHBondContact O-N 3.48Å; A118-H122 WeakPolarHBondContact O-CB 3.43Å; A118-H122 PolarHBondContact O-N 2.74Å
119	L	78.4	Confident	71.9	Confident	42 Å²	42	72.4 Å²	72.4	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-48.1	176.5	-73.7	166.8	0	0	0	112.1	W104 Q108 P110 E115 V117 H122 L123	W104-L119 HydrophobicContact CH2-CB 4.21Å; W104-L119 HydrophobicContact CH2-CD2 4.18Å; W104-L119 HydrophobicContact CZ3-CB 3.99Å; Q108-L119 HydrophobicContact CB-CD1 3.83Å; P110-L119 HydrophobicContact CB-CD1 4.07Å; P110-L119 HydrophobicContact CG-CD1 4.4Å; E115-L119 HydrophobicContact CG-CD1 4.27Å; E115-L119 WeakPolarHBondContact O-CG 3.49Å; E115-L119 PolarHBondContact O-N 3.37Å; V117-L119 PolarHBondContact O-N 3.21Å; L119-H122 WeakPolarHBondContact O-CB 3.4Å; L119-H122 PolarHBondContact O-N 3.01Å; L119-L123 PolarHBondContact O-N 2.77Å; L119-L123 VanDerWaalsContact O-N 3.07Å
120	V	76.3	Confident	71.2	Confident	7 Å²	7	75.1 Å²	75.1	4%	0.042	39%	0.385	C	S	.	.	H	α-helix	trans	-64	-44.9	177.7	173.3	0	0	0	0	111.1	F93 L97 I101 A105 A116 V117 H122 L123 E124	F93-V120 HydrophobicContact CE1-CG2 3.85Å; F93-V120 HydrophobicContact CZ-CB 4.27Å; F93-V120 HydrophobicContact CZ-CG2 3.99Å; L97-V120 HydrophobicContact CD1-CG2 3.65Å; L97-V120 HydrophobicContact CD2-CG1 3.98Å; L97-V120 HydrophobicContact CD2-CG2 4.02Å; I101-V120 HydrophobicContact CG2-CG1 4.23Å; I101-V120 HydrophobicContact CG2-CG2 4.2Å; A105-V120 HydrophobicContact CB-CG2 4.34Å; A116-V120 WeakPolarHBondContact O-CG2 3.32Å; A116-V120 PolarHBondContact O-N 3.08Å; V117-V120 PolarHBondContact O-N 3.17Å; V120-H122 PolarHBondContact O-N 2.97Å; V120-L123 PolarHBondContact O-N 2.64Å; V120-L123 VanDerWaalsContact O-N 3.17Å; V120-E124 HydrophobicContact CG1-CG 4.45Å; V120-E124 WeakPolarHBondContact O-CG 3.37Å; V120-E124 PolarHBondContact O-N 2.89Å
121	V	79.1	Confident	70.3	Confident	51 Å²	51	83.4 Å²	83.4	31%	0.309	42%	0.416	S	S	.	.	H	α-helix	trans	-65.2	-27.5	177.6	168.7	0	0	0	0	112	V117 A118 K125	V117-V121 HydrophobicContact CG1-CG2 4.1Å; V117-V121 VanDerWaalsContact O-CB 3.31Å; V117-V121 WeakPolarHBondContact O-CB 3.31Å; V117-V121 VanDerWaalsContact O-CG2 3.27Å; V117-V121 WeakPolarHBondContact O-CG2 3.29Å; V117-V121 PolarHBondContact O-N 3.31Å; A118-V121 PolarHBondContact O-N 3.48Å; V121-K125 HydrophobicContact CG1-CD 4.09Å; V121-K125 VanDerWaalsContact CG1-CE 3.46Å; V121-K125 VanDerWaalsContact CG1-NZ 3.31Å; V121-K125 WeakPolarHBondContact O-CB 3.48Å; V121-K125 VanDerWaalsContact O-CD 3.32Å; V121-K125 WeakPolarHBondContact O-CD 3.22Å; V121-K125 WeakPolarHBondContact O-CG 3.42Å; V121-K125 PolarHBondContact O-N 3.46Å; V121-K125 VanDerWaalsContact O-N 3.17Å
122	H	76.9	Confident	69.6	Low	103 Å²	103	82.1 Å²	82.1	48%	0.477	41%	0.41	S	S	.	.	H	α-helix	trans	-67.9	-50.9	170.3	-161.4	-90.3	0	0	0	111	A118 L119 V120 E124 K125 E126	A118-H122 WeakPolarHBondContact O-CB 3.43Å; A118-H122 PolarHBondContact O-N 2.74Å; L119-H122 WeakPolarHBondContact O-CB 3.4Å; L119-H122 PolarHBondContact O-N 3.01Å; V120-H122 PolarHBondContact O-N 2.97Å; H122-E124 VanDerWaalsContact C-N 3.32Å; H122-E124 PolarHBondContact O-N 3.28Å; H122-K125 WeakPolarHBondContact O-CB 3.29Å; H122-K125 PolarHBondContact O-N 3.22Å; H122-E126 IonicContact CE1-OE1 2.92Å; H122-E126 PolarHBondContact CE1-OE1 2.91Å; H122-E126 IonicContact CE1-OE2 3.82Å; H122-E126 PolarHBondContact CE1-OE2 2.93Å; H122-E126 IonicContact ND1-OE1 2.78Å; H122-E126 IonicContact ND1-OE2 3.92Å; H122-E126 PolarHBondContact ND1-OE2 2.9Å; H122-E126 PolarHBondContact O-N 2.98Å
123	L	75.3	Confident	68.4	Low	32 Å²	32	87.2 Å²	87.2	17%	0.168	43%	0.429	C	S	.	.	H	α-helix	trans	-59.9	-39.4	178.9	-168.3	75.1	0	0	0	112.4	I101 W104 L119 V120 E126 T127	I101-L123 HydrophobicContact CB-CD2 4.4Å; I101-L123 HydrophobicContact CG1-CD2 4.08Å; I101-L123 HydrophobicContact CG2-CD2 4.04Å; W104-L123 HydrophobicContact CD2-CD1 4.17Å; W104-L123 HydrophobicContact CD2-CD2 4.06Å; W104-L123 HydrophobicContact CE3-CB 4.43Å; W104-L123 HydrophobicContact CE3-CD1 4.44Å; W104-L123 HydrophobicContact CE3-CD2 3.81Å; W104-L123 HydrophobicContact CE3-CG 4.45Å; W104-L123 HydrophobicContact CG-CD2 4.44Å; W104-L123 HydrophobicContact CH2-CB 4.27Å; W104-L123 HydrophobicContact CH2-CD1 4.48Å; W104-L123 HydrophobicContact CZ2-CD1 4.22Å; W104-L123 HydrophobicContact CZ3-CB 4.06Å; W104-L123 HydrophobicContact CZ3-CD2 4.28Å; L119-L123 PolarHBondContact O-N 2.77Å; L119-L123 VanDerWaalsContact O-N 3.07Å; V120-L123 PolarHBondContact O-N 2.64Å; V120-L123 VanDerWaalsContact O-N 3.17Å; L123-E126 PolarHBondContact O-N 3.45Å; L123-T127 WeakPolarHBondContact O-CB 3.48Å; L123-T127 WeakPolarHBondContact O-CG2 3.22Å; L123-T127 PolarHBondContact O-N 3.35Å; L123-T127 PolarHBondContact O-OG1 3.28Å
124	E	70.6	Confident	67.3	Low	114 Å²	114	92 Å²	92	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-66.1	-36.9	173.8	-72.8	-167.6	148.2	0	0	112.6	V120 H122 T127 G128	V120-E124 HydrophobicContact CG1-CG 4.45Å; V120-E124 WeakPolarHBondContact O-CG 3.37Å; V120-E124 PolarHBondContact O-N 2.89Å; H122-E124 VanDerWaalsContact C-N 3.32Å; H122-E124 PolarHBondContact O-N 3.28Å; E124-T127 WeakPolarHBondContact CA-OG1 3.39Å; E124-T127 PolarHBondContact O-OG1 3.38Å; E124-G128 WeakPolarHBondContact O-CA 3.48Å; E124-G128 PolarHBondContact O-N 3.39Å
125	K	73.7	Confident	65.5	Low	131 Å²	131	88.5 Å²	88.5	57%	0.57	45%	0.449	S	S	*	.	H	α-helix	trans	-69.7	-37.8	175.2	-76.1	166.8	-175.4	167.7	0	112.2	V121 H122 R129	V121-K125 HydrophobicContact CG1-CD 4.09Å; V121-K125 VanDerWaalsContact CG1-CE 3.46Å; V121-K125 VanDerWaalsContact CG1-NZ 3.31Å; V121-K125 WeakPolarHBondContact O-CB 3.48Å; V121-K125 VanDerWaalsContact O-CD 3.32Å; V121-K125 WeakPolarHBondContact O-CD 3.22Å; V121-K125 WeakPolarHBondContact O-CG 3.42Å; V121-K125 PolarHBondContact O-N 3.46Å; V121-K125 VanDerWaalsContact O-N 3.17Å; H122-K125 WeakPolarHBondContact O-CB 3.29Å; H122-K125 PolarHBondContact O-N 3.22Å; K125-R129 WeakPolarHBondContact O-CB 2.93Å; K125-R129 VanDerWaalsContact O-CG 3.25Å; K125-R129 WeakPolarHBondContact O-CG 3.49Å; K125-R129 PolarHBondContact O-N 3.06Å
126	E	64.6	Low	63.5	Low	103 Å²	103	88.2 Å²	88.2	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-73.7	-47.5	177.7	-69.9	-169.8	131.1	0	0	112	H122 L123 G128 R129 L130	H122-E126 IonicContact CE1-OE1 2.92Å; H122-E126 PolarHBondContact CE1-OE1 2.91Å; H122-E126 IonicContact CE1-OE2 3.82Å; H122-E126 PolarHBondContact CE1-OE2 2.93Å; H122-E126 IonicContact ND1-OE1 2.78Å; H122-E126 IonicContact ND1-OE2 3.92Å; H122-E126 PolarHBondContact ND1-OE2 2.9Å; H122-E126 PolarHBondContact O-N 2.98Å; L123-E126 PolarHBondContact O-N 3.45Å; E126-G128 PolarHBondContact O-N 3.3Å; E126-R129 PolarHBondContact O-N 3.23Å; E126-L130 WeakPolarHBondContact O-CB 3.47Å; E126-L130 PolarHBondContact O-N 3.38Å
127	T	63	Low	61.8	Low	65 Å²	65	94.3 Å²	94.3	40%	0.399	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-31	173	56.6	0	0	0	0	112.2	L123 E124 R131	L123-T127 WeakPolarHBondContact O-CB 3.48Å; L123-T127 WeakPolarHBondContact O-CG2 3.22Å; L123-T127 PolarHBondContact O-N 3.35Å; L123-T127 PolarHBondContact O-OG1 3.28Å; E124-T127 WeakPolarHBondContact CA-OG1 3.39Å; E124-T127 PolarHBondContact O-OG1 3.38Å; T127-R131 VanDerWaalsContact O-CB 3.27Å; T127-R131 WeakPolarHBondContact O-CB 3.48Å; T127-R131 PolarHBondContact O-N 2.9Å
128	G	61.7	Low	59.7	Low	26 Å²	26	97.8 Å²	97.8	27%	0.268	52%	0.518	S	S	.	.	H	α-helix	trans	-66.5	-45.9	170.6	0	0	0	0	0	113.3	E124 E126 R131 Q132	E124-G128 WeakPolarHBondContact O-CA 3.48Å; E124-G128 PolarHBondContact O-N 3.39Å; E126-G128 PolarHBondContact O-N 3.3Å; G128-R131 PolarHBondContact O-N 2.89Å; G128-Q132 WeakPolarHBondContact O-CG 3.42Å; G128-Q132 PolarHBondContact O-N 3.2Å
129	R	55.1	Low	57.3	Low	178 Å²	178	103.7 Å²	103.7	67%	0.672	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-44.9	173.9	-78.8	171.1	178.1	-127.6	0.3	111.8	K125 E126 R131 Q132 Q133	K125-R129 WeakPolarHBondContact O-CB 2.93Å; K125-R129 VanDerWaalsContact O-CG 3.25Å; K125-R129 WeakPolarHBondContact O-CG 3.49Å; K125-R129 PolarHBondContact O-N 3.06Å; E126-R129 PolarHBondContact O-N 3.23Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R129-R131 PolarHBondContact O-N 3.27Å; R129-Q132 PolarHBondContact O-N 2.95Å; R129-Q133 WeakPolarHBondContact O-CG 3.45Å; R129-Q133 PolarHBondContact O-N 3.21Å
130	L	48	Very low	55.6	Low	112 Å²	112	107.4 Å²	107.4	59%	0.586	56%	0.561	S	S	*	*	H	α-helix	trans	-62.1	-42.7	177.7	-157.5	73.3	0	0	0	110.8	E126 Q132 Q133 V134	E126-L130 WeakPolarHBondContact O-CB 3.47Å; E126-L130 PolarHBondContact O-N 3.38Å; L130-Q132 PolarHBondContact O-N 2.88Å; L130-Q133 PolarHBondContact O-N 3.16Å; L130-V134 WeakPolarHBondContact O-CG2 3.46Å; L130-V134 PolarHBondContact O-N 2.89Å
131	R	52.4	Low	53.3	Low	178 Å²	178	115.3 Å²	115.3	67%	0.672	60%	0.598	S	S	*	*	H	α-helix	trans	-63.8	-37.2	174.8	-159.4	-176	-52.7	-171.7	6	112.4	T127 G128 R129 V134 S135	T127-R131 VanDerWaalsContact O-CB 3.27Å; T127-R131 WeakPolarHBondContact O-CB 3.48Å; T127-R131 PolarHBondContact O-N 2.9Å; G128-R131 PolarHBondContact O-N 2.89Å; R129-R131 VanDerWaalsContact C-N 3.33Å; R129-R131 PolarHBondContact O-N 3.27Å; R131-V134 PolarHBondContact O-N 3.37Å; R131-S135 WeakPolarHBondContact O-CB 3.39Å; R131-S135 PolarHBondContact O-N 3.17Å; R131-S135 VanDerWaalsContact O-N 3.08Å; R131-S135 PolarHBondContact O-OG 3.44Å
132	Q	49.9	Very low	51.1	Low	144 Å²	144	121 Å²	121	67%	0.673	62%	0.618	S	S	*	*	H	α-helix	trans	-69	-39.4	174	-77.1	-178.3	-19.9	0	0	112.8	G128 R129 L130 V134 S135	G128-Q132 WeakPolarHBondContact O-CG 3.42Å; G128-Q132 PolarHBondContact O-N 3.2Å; R129-Q132 PolarHBondContact O-N 2.95Å; L130-Q132 PolarHBondContact O-N 2.88Å; Q132-V134 VanDerWaalsContact C-N 3.31Å; Q132-V134 PolarHBondContact O-N 3.14Å; Q132-S135 PolarHBondContact O-N 3.15Å; Q132-S135 VanDerWaalsContact O-N 3.11Å
133	Q	49.7	Very low	48.8	Very low	145 Å²	145	124.3 Å²	124.3	68%	0.678	63%	0.634	S	S	*	*	H	α-helix	trans	-61.5	-40.6	173	-74.6	176.6	-27.3	0	0	111.4	R129 L130 S135	R129-Q133 WeakPolarHBondContact O-CG 3.45Å; R129-Q133 PolarHBondContact O-N 3.21Å; L130-Q133 PolarHBondContact O-N 3.16Å; Q133-S135 VanDerWaalsContact C-N 3.28Å; Q133-S135 PolarHBondContact O-N 2.98Å
134	V	48.8	Very low	46.4	Very low	117 Å²	117	126.7 Å²	126.7	71%	0.709	66%	0.658	S	S	*	*	H	α-helix	trans	-71.3	-17.2	174.7	174.9	0	0	0	0	113.5	L130 R131 Q132	L130-V134 WeakPolarHBondContact O-CG2 3.46Å; L130-V134 PolarHBondContact O-N 2.89Å; R131-V134 PolarHBondContact O-N 3.37Å; Q132-V134 VanDerWaalsContact C-N 3.31Å; Q132-V134 PolarHBondContact O-N 3.14Å
135	S	39.7	Very low	44.4	Very low	90 Å²	90	128.9 Å²	128.9	63%	0.629	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	8.2	-177.2	-59.7	0	0	0	0	115.1	R131 Q132 Q133	R131-S135 WeakPolarHBondContact O-CB 3.39Å; R131-S135 PolarHBondContact O-N 3.17Å; R131-S135 VanDerWaalsContact O-N 3.08Å; R131-S135 PolarHBondContact O-OG 3.44Å; Q132-S135 PolarHBondContact O-N 3.15Å; Q132-S135 VanDerWaalsContact O-N 3.11Å; Q133-S135 VanDerWaalsContact C-N 3.28Å; Q133-S135 PolarHBondContact O-N 2.98Å
136	S	34.2	Very low	42.2	Very low	85 Å²	85	130.6 Å²	130.6	59%	0.594	69%	0.687	S	S	*	*	S	Bend	trans	-83.5	129.4	175	-65	0	0	0	0	111.1	V138	S136-V138 PolarHBondContact O-N 3.15Å
137	P	40.1	Very low	40.7	Very low	130 Å²	130	129.4 Å²	129.4	84%	0.844	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-77	118.5	-171.7	29.5	-34.4	0	0	0	112.4
138	V	35.3	Very low	39	Very low	142 Å²	142	130.9 Å²	130.9	86%	0.861	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-97.5	148.7	161	180	0	0	0	0	108.6	S136	S136-V138 PolarHBondContact O-N 3.15Å
139	H	30.9	Very low	37.6	Very low	183 Å²	183	133.9 Å²	133.9	85%	0.847	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-62.6	151.1	-172.1	-94.9	-96.3	0	0	0	114
140	P	42.2	Very low	36.2	Very low	120 Å²	120	137 Å²	137	78%	0.779	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-88	120.6	-172.4	33.1	-33.3	0	0	0	112.9
141	E	27.5	Very low	35.2	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	77%	0.77	S	S	*	*			trans	-141.3	105.5	164.6	-135.8	171.5	-173	0	0	114.6
142	K	32.8	Very low	34.1	Very low	170 Å²	170	137.7 Å²	137.7	74%	0.739	77%	0.771	S	S	*	*			trans	49.2	125.5	145.5	-74.9	175.5	-178.3	163.8	0	122.7
143	H	28.7	Very low	33.1	Very low	173 Å²	173	134.8 Å²	134.8	80%	0.801	77%	0.772	S	S	*	*			trans	81.5	95.9	147.8	-67.6	-62.9	0	0	0	121.5
144	A	26.3	Very low	32.1	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	77%	0.774	S	S	*	*				89.3	119.6	112.6	0	0	0	0	0	122.3
145	L	28.1	Very low	31.1	Very low	160 Å²	160	137.8 Å²	137.8	84%	0.838	78%	0.779	S	S	*	*			trans	82	148.2	138.6	-94.3	161.7	0	0	0	121.7
146	L	27.1	Very low	30.3	Very low	167 Å²	167	140.7 Å²	140.7	87%	0.874	78%	0.783	S	S	*	*			trans	66.5	138.2	171.7	-68.2	158.8	0	0	0	116.5
147	G	32.6	Very low	30.1	Very low	77 Å²	77	141 Å²	141	79%	0.794	78%	0.783	S	S	*	*			trans	-117.2	156.8	-179.3	0	0	0	0	0	111.7
148	A	28	Very low	29.3	Very low	96 Å²	96	144.1 Å²	144.1	79%	0.793	79%	0.786	S	S	*	*			trans	-143.2	160.5	171	0	0	0	0	0	109.2
149	A	32.9	Very low	29	Very low	90 Å²	90	146.7 Å²	146.7	74%	0.744	79%	0.789	S	S	*	*			trans	-70.3	156.5	174.2	0	0	0	0	0	111.4
150	W	25.5	Very low	28.7	Very low	244 Å²	244	144.7 Å²	144.7	92%	0.924	79%	0.789	S	S	*	*			trans	-103.8	109.6	164.8	-71.3	-4	0	0	0	109.1
151	E	26.7	Very low	27.9	Very low	191 Å²	191	147.7 Å²	147.7	89%	0.893	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.8	165.7	167.8	-64.1	-172.3	131.1	0	0	110.8
152	V	28.9	Very low	27.9	Very low	112 Å²	112	145 Å²	145	68%	0.679	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-98.7	122.9	176.4	178.2	0	0	0	0	108.1
153	A	28.6	Very low	27.5	Very low	84 Å²	84	144.9 Å²	144.9	69%	0.694	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-78.8	136	171.1	0	0	0	0	0	110.6
154	D	29.1	Very low	28.5	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-69	148	178	-91.1	-63.2	0	0	0	113.2
155	F	27.8	Very low	28.3	Very low	189 Å²	189	148.9 Å²	148.9	83%	0.829	79%	0.793	S	S	*	*			trans	-122	131.9	158.1	-82.9	-89.1	0	0	0	109.5
156	Q	23.1	Very low	28.1	Very low	152 Å²	152	147 Å²	147	71%	0.71	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-97.3	144.2	175	-68.3	-72.9	19.3	0	0	110.4
157	P	29.5	Very low	28	Very low	90 Å²	90	145.1 Å²	145.1	58%	0.584	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-87.9	123.2	169	33.3	-29.1	0	0	0	110.8
158	E	24.5	Very low	27.6	Very low	196 Å²	196	146.8 Å²	146.8	92%	0.916	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-86.2	155.1	165.7	-72	-167.6	137.1	0	0	111.4
159	Q	27.9	Very low	27.5	Very low	196 Å²	196	151.4 Å²	151.4	92%	0.916	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-87.1	150.6	-165.4	-64.5	-175.8	-18.9	0	0	113.6
160	V	26.1	Very low	27.2	Very low	141 Å²	141	153.5 Å²	153.5	86%	0.855	77%	0.774	S	S	*	*			trans	-99.2	106.4	167.4	176.7	0	0	0	0	109
161	E	23.8	Very low	27.3	Very low	184 Å²	184	150.5 Å²	150.5	86%	0.86	77%	0.771	S	S	*	*			trans	-99.2	167.5	165.7	-154.1	171.4	-143.7	0	0	110.8
162	T	28.8	Very low	27.2	Very low	114 Å²	114	146.1 Å²	146.1	70%	0.699	77%	0.767	S	S	*	*			trans	-122.2	146	-147.6	18.4	0	0	0	0	117
163	Q	23.4	Very low	27	Very low	169 Å²	169	144.2 Å²	144.2	79%	0.79	77%	0.77	S	S	*	*			trans	76.7	-178.8	150.5	-58.9	-88.5	11.1	0	0	115.4
164	P	50	Low	26.7	Very low	98 Å²	98	145.7 Å²	145.7	64%	0.636	78%	0.775	S	S	*	*				-141	167	-89.2	41.3	-23.1	0	0	0	116.3
165	R	22.8	Very low	26.5	Very low	242 Å²	242	146.3 Å²	146.3	91%	0.913	78%	0.778	S	S	*	*			trans	163.8	166.6	153.4	-96.7	162.8	-179.8	-149.4	-0.4	111
166	V	23.5	Very low	26.3	Very low	121 Å²	121	145.3 Å²	145.3	73%	0.733	78%	0.776	S	S	*	*			cis	-169	138.4	-37.1	123.1	0	0	0	0	108.2
167	V	23.9	Very low	26.4	Very low	126 Å²	126	142.4 Å²	142.4	76%	0.764	77%	0.772	S	S	*	*			trans	31.9	118.4	156.3	-172.2	0	0	0	0	120.7
168	S	24.9	Very low	26.1	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	78%	0.779	S	S	*	*				164.6	159.7	126.5	-75.4	0	0	0	0	111.8
169	R	26.1	Very low	26.4	Very low	192 Å²	192	141.5 Å²	141.5	73%	0.725	77%	0.768	S	S	*	*			cis	-176.8	144.2	-30.1	176.8	176.4	167.4	-164.3	-17.6	107.6
170	E	26.4	Very low	26.4	Very low	135 Å²	135	139 Å²	139	63%	0.631	76%	0.756	S	S	*	*			trans	64.2	163.1	169.9	-82.2	142.6	-169.1	0	0	116.7
171	E	26.3	Very low	26.4	Very low	181 Å²	181	141.5 Å²	141.5	85%	0.846	76%	0.758	S	S	*	*			cis	-142.7	-162.4	10.5	-145.4	164.3	-153.2	0	0	114.5
172	A	25.6	Very low	26.9	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	75%	0.752	S	S	*	*			trans	-99.7	178	-152.1	0	0	0	0	0	118.4
173	G	24.4	Very low	26.7	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	76%	0.761	S	S	*	*			trans	96.7	120.1	162.7	0	0	0	0	0	115
174	S	23.7	Very low	27.1	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	75%	0.751	S	S	*	*			cis	92.2	135.8	20.8	-154.6	0	0	0	0	116.6
175	L	23.9	Very low	26.3	Very low	148 Å²	148	145.2 Å²	145.2	78%	0.775	76%	0.758	S	S	*	*			trans	74.6	98.2	170.7	-60.8	179.2	0	0	0	121.5
176	H	23.6	Very low	26.9	Very low	168 Å²	168	142.3 Å²	142.3	78%	0.778	75%	0.752	S	S	*	*				63.2	128.8	112.4	-103	-74.2	0	0	0	124.2
177	S	24.2	Very low	27.5	Very low	91 Å²	91	145.5 Å²	145.5	64%	0.636	75%	0.751	S	S	*	*				90.9	137.4	128.5	-86.9	0	0	0	0	123.1
178	V	24.6	Very low	28	Very low	121 Å²	121	144.6 Å²	144.6	73%	0.733	74%	0.738	S	S	*	*			trans	74	141.9	143.2	169.4	0	0	0	0	115.7
179	H	29.7	Very low	28.3	Very low	146 Å²	146	148.7 Å²	148.7	68%	0.676	74%	0.737	S	S	*	*			cis	-133.9	143.7	7.2	-119.8	-22.7	0	0	0	109.3
180	Q	28.9	Very low	28.4	Very low	142 Å²	142	150.8 Å²	150.8	66%	0.664	75%	0.745	S	S	*	*				63.5	119	88.8	179.1	-175.9	47.5	0	0	116.5
181	E	25.3	Very low	29.6	Very low	194 Å²	194	149.9 Å²	149.9	91%	0.907	75%	0.75	S	S	*	*				-147.3	161.5	117.6	-129.8	-176.2	150.6	0	0	112.1
182	Q	34.3	Very low	29.7	Very low	158 Å²	158	148.7 Å²	148.7	74%	0.738	75%	0.749	S	S	*	*			trans	-154.4	136.5	-168.6	-179.7	-174.6	71.9	0	0	110.3
183	L	25.5	Very low	30.6	Very low	170 Å²	170	149 Å²	149	89%	0.89	74%	0.743	S	S	*	*			trans	-119.5	148.9	170.3	-104	170.8	0	0	0	113.9
184	N	31.2	Very low	31	Very low	105 Å²	105	154 Å²	154	56%	0.561	74%	0.744	S	S	*	*			trans	-93.3	172.3	-174.3	-90.7	-105.1	0	0	0	110.4
185	R	34.3	Very low	31.1	Very low	210 Å²	210	155.4 Å²	155.4	79%	0.792	74%	0.742	S	S	*	*			cis	-144.5	-179.2	4.6	-105	128	-154.2	178.5	1.2	106.1
186	K	35.6	Very low	31.2	Very low	182 Å²	182	153.3 Å²	153.3	79%	0.791	75%	0.746	S	S	*	*			cis	-155.3	179.2	12.3	-133.8	165.3	178	176.2	0	106
187	R	34.2	Very low	31.4	Very low	188 Å²	188	156.7 Å²	156.7	71%	0.709	75%	0.752	S	S	*	*			cis	-139	-100.7	5.5	-171.2	169.6	-179.9	-158.3	-13.6	113.4
188	E	35.4	Very low	32.1	Very low	106 Å²	106	158.1 Å²	158.1	50%	0.495	76%	0.759	S	S	.	*			trans	-161.5	154.1	-158.4	-62.2	162.9	-121.1	0	0	108.6
189	R	30.8	Very low	32	Very low	200 Å²	200	157.5 Å²	157.5	76%	0.755	76%	0.76	S	S	*	*			cis	-125.7	172.8	-8.5	-60.7	83.3	-168.2	-95.8	-5.6	107.4
190	R	29.5	Very low	32.7	Very low	236 Å²	236	155.6 Å²	155.6	89%	0.891	76%	0.761	S	S	*	*			cis	70.3	159.8	21.4	-76.7	-174.7	173.9	-157.9	0.9	116
191	P	50	Low	32.4	Very low	115 Å²	115	159.7 Å²	159.7	75%	0.747	77%	0.77	S	S	*	*			cis	-106.5	-139.5	-15.9	39.2	-23.5	0	0	0	109.5
192	L	29.4	Very low	32.3	Very low	157 Å²	157	156.1 Å²	156.1	82%	0.822	76%	0.761	S	S	*	*			cis	-148.8	144.4	-6.2	-129.3	177.9	0	0	0	107.9
193	P	44.2	Very low	32.9	Very low	104 Å²	104	154 Å²	154	68%	0.675	76%	0.761	S	S	*	*			trans	-137.6	-170.8	-165.1	42.6	-24.9	0	0	0	117.5
194	K	32.2	Very low	32.8	Very low	178 Å²	178	150 Å²	150	77%	0.774	75%	0.753	S	S	*	*			trans	103	127.8	144.5	-82.1	177.9	177.2	-174.9	0	122.9
195	N	27.4	Very low	32.4	Very low	145 Å²	145	153.1 Å²	153.1	78%	0.775	77%	0.769	S	S	*	*			trans	93.3	148	130.4	-71.7	7.4	0	0	0	123.8
196	A	24.4	Very low	31.9	Very low	103 Å²	103	146.4 Å²	146.4	85%	0.851	76%	0.758	S	S	*	*			trans	90.9	130.7	152.4	0	0	0	0	0	122.1
197	R	29.2	Very low	31.4	Very low	240 Å²	240	144.8 Å²	144.8	91%	0.906	76%	0.758	S	S	*	*			trans	-104	158.7	150.1	-81.4	-177.2	174.4	-172.9	-1.5	106.2
198	P	37.2	Very low	31.1	Very low	120 Å²	120	143 Å²	143	78%	0.779	76%	0.757	S	S	*	*			cis	-151.5	-172.9	47	42.8	-20.7	0	0	0	118
199	S	22.4	Very low	30.5	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	77%	0.769	S	S	*	*			trans	-2.3	165	146	-63.5	0	0	0	0	122.4
200	P	45.3	Very low	30.3	Very low	106 Å²	106	143.8 Å²	143.8	69%	0.688	77%	0.765	S	S	*	*			cis	-149.7	-160.4	-26.7	43	-22.3	0	0	0	115.6
201	W	21.9	Very low	30.1	Very low	228 Å²	228	138.3 Å²	138.3	86%	0.864	76%	0.758	S	S	*	*			trans	62.9	117.1	165.9	-76.9	56.7	0	0	0	118
202	V	23.3	Very low	29	Very low	119 Å²	119	139 Å²	139	72%	0.721	76%	0.755	S	S	*	*				60.5	127.9	68.2	179.9	0	0	0	0	113.3
203	P	47.9	Very low	28.7	Very low	114 Å²	114	138 Å²	138	74%	0.74	75%	0.751	S	S	*	*			cis	-143.5	-172.3	-14.9	42.1	-22.7	0	0	0	116.9
204	A	23.4	Very low	28.1	Very low	86 Å²	86	139.1 Å²	139.1	71%	0.711	75%	0.747	S	S	*	*			trans	92.4	129.8	133.7	0	0	0	0	0	124.9
205	L	22.4	Very low	28	Very low	170 Å²	170	137.6 Å²	137.6	89%	0.89	74%	0.742	S	S	*	*			trans	89.4	134.1	138.8	-113.1	78.3	0	0	0	123.9
206	A	24.3	Very low	28.1	Very low	68 Å²	68	136.4 Å²	136.4	56%	0.562	74%	0.74	S	S	*	*			trans	75.1	115.6	145.8	0	0	0	0	0	121.2
207	D	24.6	Very low	28.2	Very low	149 Å²	149	136.9 Å²	136.9	80%	0.797	73%	0.733	S	S	*	*				56.6	142.2	123.1	-45.3	-16.3	0	0	0	120.3
208	E	27.1	Very low	28	Very low	149 Å²	149	130.7 Å²	130.7	70%	0.696	72%	0.722	S	S	*	*			cis	-168.4	-165.8	-13.5	-108.7	-158.7	140.8	0	0	106.6
209	W	23.6	Very low	27.5	Very low	197 Å²	197	130.7 Å²	130.7	75%	0.746	72%	0.72	S	S	*	*			trans	76	98.3	158.9	-62.7	84.8	0	0	0	120.2
210	N	26.2	Very low	27.7	Very low	126 Å²	126	136.5 Å²	136.5	67%	0.674	73%	0.725	S	S	*	*				66.9	165.1	129.8	-62.1	3.2	0	0	0	118.3
211	T	25.5	Very low	26.7	Very low	121 Å²	121	139.3 Å²	139.3	74%	0.742	73%	0.733	S	S	*	*			cis	-146.4	135.1	17.9	-32.1	0	0	0	0	111.4
212	L	26.6	Very low	28.2	Very low	130 Å²	130	134 Å²	134	68%	0.681	73%	0.728	S	S	*	*			trans	23.7	132.7	130.7	-150.7	74.8	0	0	0	120.7	Q214	L212-Q214 HydrophobicContact CD2-CG 4.04Å; L212-Q214 HydrophobicContact CG-CG 4.09Å
213	D	23.7	Very low	28.3	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	74%	0.735	S	S	*	*				-155.1	129.3	114.3	-89.4	-20.6	0	0	0	106.4
214	Q	30.5	Very low	27.2	Very low	126 Å²	126	130.9 Å²	130.9	59%	0.589	73%	0.731	S	S	*	*				64.7	134.4	65.4	-70.9	-164.1	-47.3	0	0	113.2	L212	L212-Q214 HydrophobicContact CD2-CG 4.04Å; L212-Q214 HydrophobicContact CG-CG 4.09Å
215	E	31.2	Very low	27.4	Very low	146 Å²	146	132.2 Å²	132.2	68%	0.682	74%	0.735	S	S	*	*			cis	-154.5	177.3	-13.9	-123.4	168.1	-143.8	0	0	107
216	V	28.5	Very low	27.5	Very low	120 Å²	120	133.1 Å²	133.1	73%	0.727	73%	0.734	S	S	*	*				176	113.2	80.7	160	0	0	0	0	107.4
217	T	26.5	Very low	27.5	Very low	113 Å²	113	138.4 Å²	138.4	69%	0.693	75%	0.748	S	S	*	*			trans	35.5	157.7	141.1	32.3	0	0	0	0	123.6
218	T	26.1	Very low	28.4	Very low	110 Å²	110	136.4 Å²	136.4	68%	0.675	74%	0.743	S	S	*	*			cis	-156.7	141.4	21.1	-15.5	0	0	0	0	113.4
219	T	27.5	Very low	28.3	Very low	120 Å²	120	134.9 Å²	134.9	74%	0.736	74%	0.743	S	S	*	*			trans	28.8	151.4	144.9	59.4	0	0	0	0	123.2
220	R	25	Very low	28.6	Very low	232 Å²	232	134.4 Å²	134.4	88%	0.875	75%	0.747	S	S	*	*			cis	-147.5	171.5	38	-78.7	-174.1	172	-167.2	-3	114.6
221	L	25.5	Very low	28.5	Very low	164 Å²	164	134.9 Å²	134.9	86%	0.859	75%	0.749	S	S	*	*			trans	-106.1	-160.3	174.1	-63.2	167.1	0	0	0	110.8
222	P	53.5	Low	28.6	Very low	116 Å²	116	134.6 Å²	134.6	75%	0.753	75%	0.747	S	S	*	*				-134.6	-161.3	-83.6	44.5	-27.4	0	0	0	114.3
223	A	25.2	Very low	28.6	Very low	105 Å²	105	136 Å²	136	87%	0.868	75%	0.75	S	S	*	*			trans	72.9	157.6	164.6	0	0	0	0	0	118.4
224	G	23.7	Very low	28.9	Very low	64 Å²	64	135.2 Å²	135.2	66%	0.66	75%	0.749	S	S	*	*			cis	163.4	154.3	-14.9	0	0	0	0	0	116.2
225	S	27.8	Very low	28.7	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	76%	0.758	S	S	*	*			trans	79.4	157.7	158.7	81.3	0	0	0	0	122.7
226	Q	24.4	Very low	28.5	Very low	188 Å²	188	137.4 Å²	137.4	88%	0.879	77%	0.766	S	S	*	*			trans	86.2	116.3	156.8	-70.7	-173.1	-6.6	0	0	123.3
227	E	25.2	Very low	28.5	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	76%	0.763	S	S	*	*			trans	-74.6	-174.3	144.9	-51.8	-173.8	123.7	0	0	109.8
228	P	43.6	Very low	28.5	Very low	107 Å²	107	136.5 Å²	136.5	70%	0.695	76%	0.762	S	S	*	*			cis	-153.8	171.5	14.1	45.5	-23.8	0	0	0	121.3
229	V	25.5	Very low	28.6	Very low	117 Å²	117	136.3 Å²	136.3	71%	0.709	77%	0.765	S	S	*	*			trans	79.2	145.8	133.7	152.8	0	0	0	0	124
230	K	28	Very low	28.5	Very low	188 Å²	188	138.4 Å²	138.4	82%	0.817	76%	0.76	S	S	*	*			trans	79.3	151.8	165.8	-80.3	151.1	-168.1	173.1	0	120.2
231	D	24.3	Very low	28.7	Very low	136 Å²	136	135.4 Å²	135.4	73%	0.727	75%	0.753	S	S	*	*			cis	-175.4	177.1	-38.8	-142.1	-45	0	0	0	110.6
232	V	28	Very low	28.7	Very low	115 Å²	115	136.3 Å²	136.3	70%	0.697	75%	0.751	S	S	*	*			trans	69.6	137.2	151	162.6	0	0	0	0	117.9
233	H	26.3	Very low	27.4	Very low	159 Å²	159	134 Å²	134	74%	0.736	74%	0.737	S	S	*	*			cis	-166.6	-159.9	-13.6	-117.1	34.2	0	0	0	108.7
234	V	30.2	Very low	27.3	Very low	120 Å²	120	134.8 Å²	134.8	73%	0.727	73%	0.731	S	S	*	*				-159.4	122.2	-83.7	145.6	0	0	0	0	110.9
235	A	27	Very low	27.4	Very low	93 Å²	93	139.6 Å²	139.6	77%	0.769	74%	0.736	S	S	*	*			trans	-154.8	112.2	166.9	0	0	0	0	0	109.8
236	R	26.9	Very low	27.3	Very low	225 Å²	225	142.3 Å²	142.3	85%	0.849	74%	0.736	S	S	*	*				69.9	132.5	78.9	-78.3	-176.2	170.2	176.6	-1.3	113.7
237	G	27.4	Very low	27.3	Very low	65 Å²	65	140.8 Å²	140.8	67%	0.67	73%	0.732	S	S	*	*			cis	163.7	162.9	-0.4	0	0	0	0	0	109.1
238	F	28.4	Very low	28	Very low	150 Å²	150	137.8 Å²	137.8	66%	0.658	73%	0.728	S	S	*	*			cis	-129.2	-161.6	8.9	-84.1	-90	0	0	0	109	Y240	F238-Y240 HydrophobicContact CD1-CD2 4.11Å; F238-Y240 HydrophobicContact CD1-CE1 4.47Å; F238-Y240 HydrophobicContact CD1-CE2 4.06Å; F238-Y240 HydrophobicContact CD1-CG 4.38Å; F238-Y240 HydrophobicContact CE1-CE1 4.43Å; F238-Y240 HydrophobicContact CE1-CE2 4.13Å
239	S	26.6	Very low	27	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	73%	0.728	S	S	*	*			cis	-147.6	136.5	22.5	179.2	0	0	0	0	108.7
240	Y	26.7	Very low	27.2	Very low	163 Å²	163	139.5 Å²	139.5	64%	0.639	73%	0.733	S	S	*	*				65.4	122.3	64.6	-82.8	-154.3	0	0	0	112.7	F238	F238-Y240 HydrophobicContact CD1-CD2 4.11Å; F238-Y240 HydrophobicContact CD1-CE1 4.47Å; F238-Y240 HydrophobicContact CD1-CE2 4.06Å; F238-Y240 HydrophobicContact CD1-CG 4.38Å; F238-Y240 HydrophobicContact CE1-CE1 4.43Å; F238-Y240 HydrophobicContact CE1-CE2 4.13Å
241	K	27.9	Very low	27.2	Very low	169 Å²	169	140.6 Å²	140.6	74%	0.735	73%	0.732	S	S	*	*			cis	-162.2	171.3	8.6	-102.7	167.4	175.3	176.8	0	108.1
242	K	26.5	Very low	27.2	Very low	184 Å²	184	140.8 Å²	140.8	80%	0.8	73%	0.733	S	S	*	*			cis	-179.8	160.3	-30.3	-115.2	-146.7	148.4	-127.7	0	106.6
243	S	25.3	Very low	27.2	Very low	68 Å²	68	142.5 Å²	142.5	48%	0.476	74%	0.737	S	S	.	*			cis	-178.3	139.5	-34.2	59.4	0	0	0	0	112.2
244	V	24.5	Very low	27.2	Very low	121 Å²	121	145.6 Å²	145.6	73%	0.733	74%	0.744	S	S	*	*			trans	78.8	154.3	154.1	-179.2	0	0	0	0	119.5
245	H	24.6	Very low	26.9	Very low	164 Å²	164	150.1 Å²	150.1	76%	0.759	75%	0.748	S	S	*	*			trans	87.8	116.2	-177.2	-51.2	97.2	0	0	0	114.2
246	Q	24.9	Very low	26.8	Very low	172 Å²	172	149.7 Å²	149.7	80%	0.804	73%	0.733	S	S	*	*			cis	84.4	143.6	48.9	-81.6	-157.4	-0.9	0	0	115.2
247	I	25.4	Very low	26.6	Very low	156 Å²	156	149 Å²	149	80%	0.8	74%	0.737	S	S	*	*			trans	78	143.5	172.4	-65.4	171.5	0	0	0	115.4
248	P	39.2	Very low	26.5	Very low	115 Å²	115	153.7 Å²	153.7	75%	0.747	73%	0.734	S	S	*	*			trans	-121.7	-158	-161.4	44	-28.1	0	0	0	113.3
249	A	23.8	Very low	26.3	Very low	84 Å²	84	155.1 Å²	155.1	69%	0.694	74%	0.74	S	S	*	*			trans	96.9	123.8	164.8	0	0	0	0	0	117.6
250	H	29	Very low	26.3	Very low	177 Å²	177	158.6 Å²	158.6	82%	0.819	75%	0.745	S	S	*	*			trans	-154.9	71.9	141.6	-119.1	-70.5	0	0	0	109.4
251	R	28.2	Very low	26.1	Very low	211 Å²	211	157.7 Å²	157.7	80%	0.796	75%	0.751	S	S	*	*			trans	-118.4	13.8	175.6	-154.5	-138.7	163.4	132.5	-1.4	113.6
252	D	24.6	Very low	26	Very low	139 Å²	139	156.7 Å²	156.7	74%	0.743	76%	0.758	S	S	*	*			trans	-135.2	98.5	-178.3	-71.5	-71.7	0	0	0	111.3
253	L	28.3	Very low	25.9	Very low	151 Å²	151	151 Å²	151	79%	0.791	75%	0.752	S	S	*	*			trans	-165.9	94.4	153.7	-86.2	-164.7	0	0	0	108.2
254	Y	24.8	Very low	25.8	Very low	225 Å²	225	155 Å²	155	88%	0.882	77%	0.768	S	S	*	*	S	Bend	trans	174.7	50.2	140.1	-110.5	-80	0	0	0	114.4
255	R	24.2	Very low	25.8	Very low	214 Å²	214	156.7 Å²	156.7	81%	0.808	77%	0.77	S	S	*	*			trans	177.6	153.2	151.9	-103.2	178.5	-79.7	167.2	-6.6	108.7
256	D	25.3	Very low	25.8	Very low	84 Å²	84	154.6 Å²	154.6	45%	0.449	77%	0.768	S	S	.	*			cis	-118.7	150.3	-7.6	-92.6	-37.8	0	0	0	108.5	R302	D256-R302 IonicContact OD1-NH2 3.3Å; D256-R302 PolarHBondContact OD1-NH2 3.09Å; D256-R302 IonicContact OD2-CZ 3.39Å; D256-R302 IonicContact OD2-NH1 3.19Å; D256-R302 PolarHBondContact OD2-NH1 3.35Å; D256-R302 IonicContact OD2-NH2 2.69Å; D256-R302 PolarHBondContact OD2-NH2 3.27Å
257	F	22.8	Very low	26	Very low	211 Å²	211	151.2 Å²	151.2	93%	0.925	76%	0.764	S	S	*	*			trans	-142.7	128.7	139.7	-132.6	-85.6	0	0	0	108.6
258	R	24.7	Very low	26.2	Very low	163 Å²	163	151.6 Å²	151.6	62%	0.615	77%	0.767	S	S	*	*			trans	-153	106.8	-168.3	-159.3	-159.9	-170.6	-160.1	6.2	111.9
259	K	25.6	Very low	25.6	Very low	180 Å²	180	149 Å²	149	78%	0.783	76%	0.761	S	S	*	*			trans	76.9	98.8	172.9	-55.3	178.3	174.1	-168.7	0	117.1
260	E	24.8	Very low	25.9	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	77%	0.767	S	S	*	*				-152.7	148.2	123.4	-98.4	162	-171.9	0	0	104.5
261	N	23.9	Very low	25.9	Very low	144 Å²	144	148.5 Å²	148.5	77%	0.77	77%	0.767	S	S	*	*			cis	-126	169.3	7.2	-97.7	-39.3	0	0	0	112.6
262	V	24.9	Very low	25.9	Very low	147 Å²	147	142.8 Å²	142.8	89%	0.891	76%	0.764	S	S	*	*			trans	-105.2	124.7	152.5	172.6	0	0	0	0	106.5
263	G	24.8	Very low	26.1	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	77%	0.766	S	S	*	*			trans	175.7	81.4	-177.2	0	0	0	0	0	115.9
264	N	23.9	Very low	26.1	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	76%	0.764	S	S	*	*			trans	32.2	158	140.9	-61.5	-9.2	0	0	0	123.7
265	M	23.8	Very low	26.2	Very low	158 Å²	158	134 Å²	134	78%	0.778	76%	0.755	S	S	*	*			trans	72.4	116.3	176.7	-54.7	-82.7	91.9	0	0	113.5
266	V	24.3	Very low	26.6	Very low	119 Å²	119	129.9 Å²	129.9	72%	0.721	75%	0.749	S	S	*	*			cis	75.8	140.2	28.9	-166.9	0	0	0	0	113.3
267	S	29.4	Very low	26.9	Very low	102 Å²	102	135 Å²	135	71%	0.713	77%	0.767	S	S	*	*			trans	74	139.3	176	-67.8	0	0	0	0	116
268	L	29.7	Very low	27.2	Very low	164 Å²	164	131.4 Å²	131.4	86%	0.859	76%	0.756	S	S	*	*			cis	-152.9	160.5	-6.7	-93.8	149.2	0	0	0	106.9
269	G	26.2	Very low	27.4	Very low	61 Å²	61	129.8 Å²	129.8	63%	0.629	76%	0.764	S	S	*	*			cis	160.9	154.1	-7.2	0	0	0	0	0	112.5
270	S	29.7	Very low	27.4	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	76%	0.761	S	S	*	*			trans	60.6	154.2	152.9	-55	0	0	0	0	119.9
271	T	29.1	Very low	27.3	Very low	134 Å²	134	128.7 Å²	128.7	82%	0.822	76%	0.758	S	S	*	*			cis	-124.7	151	14.4	43.2	0	0	0	0	111.7
272	A	28.1	Very low	27.3	Very low	90 Å²	90	128.4 Å²	128.4	74%	0.744	75%	0.752	S	S	*	*			cis	86.8	138.4	36	0	0	0	0	0	113.9
273	S	28.9	Very low	27.3	Very low	111 Å²	111	130.1 Å²	130.1	78%	0.776	75%	0.75	S	S	*	*			cis	-139.7	-136.5	-9.5	-157.4	0	0	0	0	109.6
274	T	28.3	Very low	27.1	Very low	123 Å²	123	138.5 Å²	138.5	76%	0.755	76%	0.762	S	S	*	*			cis	-165.7	159.9	6.5	-26.7	0	0	0	0	111.1
275	S	27.6	Very low	27.1	Very low	98 Å²	98	143.2 Å²	143.2	69%	0.685	77%	0.768	S	S	*	*			trans	73.4	134.7	147.4	178.9	0	0	0	0	121.2
276	N	33.2	Very low	27.3	Very low	127 Å²	127	142.9 Å²	142.9	68%	0.679	77%	0.765	S	S	*	*			cis	-167.8	151.8	-14.4	-105.9	-38.2	0	0	0	114.6
277	K	32	Very low	28.1	Very low	192 Å²	192	142.6 Å²	142.6	84%	0.835	77%	0.765	S	S	*	*			trans	137.1	119.9	149.5	-77.4	174.3	179.2	-178.8	0	111.7
278	I	28.3	Very low	28.1	Very low	134 Å²	134	147.4 Å²	147.4	69%	0.687	77%	0.768	S	S	*	*			cis	83.1	124.5	39.9	-62.7	164.8	0	0	0	111.6
279	T	28.5	Very low	28.2	Very low	129 Å²	129	144.1 Å²	144.1	79%	0.791	76%	0.755	S	S	*	*			cis	-164	175.9	-9.7	27.1	0	0	0	0	107
280	R	25.1	Very low	28.5	Very low	189 Å²	189	149 Å²	149	71%	0.713	77%	0.766	S	S	*	*			cis	-132.4	-175.6	3.3	-108.2	-158.8	-167.5	-163.6	3.4	107.6	E282	R280-E282 IonicContact CZ-OE2 3.82Å; R280-E282 IonicContact NH1-OE2 2.77Å; R280-E282 PolarHBondContact NH1-OE2 2.83Å
281	L	24.1	Very low	28.4	Very low	149 Å²	149	147 Å²	147	78%	0.78	76%	0.763	S	S	*	*			cis	89.1	135.3	16.8	-116.9	175.5	0	0	0	118.3
282	E	23.1	Very low	28.2	Very low	137 Å²	137	148 Å²	148	64%	0.64	76%	0.763	S	S	*	*			trans	89	156	167.1	-58.2	-166.2	122.1	0	0	122.2	R280	R280-E282 IonicContact CZ-OE2 3.82Å; R280-E282 IonicContact NH1-OE2 2.77Å; R280-E282 PolarHBondContact NH1-OE2 2.83Å
283	Q	24.2	Very low	28.3	Very low	183 Å²	183	152.1 Å²	152.1	86%	0.855	77%	0.766	S	S	*	*			trans	67.1	118.8	176.3	-48.4	-168.2	17	0	0	115.7
284	R	22	Very low	28.2	Very low	241 Å²	241	151.3 Å²	151.3	91%	0.909	76%	0.761	S	S	*	*			cis	73.4	82	25.2	-143.9	-167.4	-151.4	-94.7	6.4	114.5
285	R	23.6	Very low	28.1	Very low	250 Å²	250	150.8 Å²	150.8	94%	0.943	76%	0.762	S	S	*	*			trans	-162.4	126.3	138.2	-109.5	168.5	-163.1	-134.9	2.6	114.6
286	E	27.3	Very low	28	Very low	151 Å²	151	153.3 Å²	153.3	71%	0.706	77%	0.768	S	S	*	*			trans	-58	164.7	153.7	-101.4	168.1	-133.1	0	0	111.5	W288	E286-W288 PolarHBondContact OE2-NE1 3.06Å
287	P	41.3	Very low	27.7	Very low	114 Å²	114	156.3 Å²	156.3	74%	0.74	77%	0.774	S	S	*	*				-155	146.3	58.4	40.3	-17.9	0	0	0	123
288	W	30.6	Very low	27.4	Very low	203 Å²	203	158.2 Å²	158.2	77%	0.769	78%	0.777	S	S	*	*			trans	61.8	138.9	131.7	-66.6	54.4	0	0	0	119.7	E286	E286-W288 PolarHBondContact OE2-NE1 3.06Å
289	T	31.8	Very low	27.3	Very low	95 Å²	95	156.8 Å²	156.8	58%	0.583	78%	0.778	S	S	*	*			cis	-162.4	159.7	1.6	3.6	0	0	0	0	115
290	L	31.5	Very low	27.1	Very low	164 Å²	164	156.8 Å²	156.8	86%	0.859	77%	0.772	S	S	*	*			trans	54.3	120.4	150.1	-65	160.3	0	0	0	118.9
291	G	28.6	Very low	27.2	Very low	73 Å²	73	153.5 Å²	153.5	75%	0.753	77%	0.768	S	S	*	*			cis	-161.6	-148.1	4.1	0	0	0	0	0	110.8
292	L	24.9	Very low	27	Very low	155 Å²	155	154 Å²	154	81%	0.812	76%	0.759	S	S	*	*			cis	-153.9	-124.2	-3.4	-153.6	129.6	0	0	0	110.3
293	H	29.4	Very low	27.2	Very low	177 Å²	177	150.9 Å²	150.9	82%	0.819	75%	0.753	S	S	*	*			trans	-142.3	168	-174	-73.7	-83.1	0	0	0	112.3
294	S	25.8	Very low	27.1	Very low	94 Å²	94	149.5 Å²	149.5	66%	0.657	75%	0.752	S	S	*	*			cis	-154.6	154.9	16	88.2	0	0	0	0	115.4
295	S	27.7	Very low	27.2	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	75%	0.749	S	S	*	*			trans	51.2	160.3	135.3	81.6	0	0	0	0	124.2
296	N	25.2	Very low	27.3	Very low	152 Å²	152	142.5 Å²	142.5	81%	0.813	74%	0.74	S	S	*	*			cis	-172.5	-179.7	-37.5	-165	-1.6	0	0	0	109.9
297	K	27.4	Very low	27.1	Very low	189 Å²	189	142 Å²	142	82%	0.822	74%	0.736	S	S	*	*			trans	93.4	171.4	162.7	-60	-176.9	179.3	176.9	0	119.1
298	R	25.9	Very low	26.3	Very low	233 Å²	233	142 Å²	142	88%	0.879	73%	0.725	S	S	*	*			trans	-151.8	146.3	-149.1	-86.5	177.7	167.9	165.4	-3.5	114.1
299	S	24.8	Very low	26	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	72%	0.723	S	S	*	*			trans	68.7	174.1	140.5	78.6	0	0	0	0	118.1
300	I	24.3	Very low	25.5	Very low	129 Å²	129	140.5 Å²	140.5	66%	0.662	73%	0.729	S	S	*	*			cis	-161	142.9	2.6	-141.3	158.4	0	0	0	112.8
301	L	26.7	Very low	25.1	Very low	120 Å²	120	138 Å²	138	63%	0.628	72%	0.72	S	S	*	*			trans	53.7	-179.7	155.8	-63	161.5	0	0	0	118.2
302	R	21.9	Very low	24.8	Very low	159 Å²	159	141.6 Å²	141.6	60%	0.6	72%	0.717	S	S	*	*			cis	-146	151.5	-9	-143.8	164.7	-170.1	-154.8	-4.2	112.6	D256	D256-R302 IonicContact OD1-NH2 3.3Å; D256-R302 PolarHBondContact OD1-NH2 3.09Å; D256-R302 IonicContact OD2-CZ 3.39Å; D256-R302 IonicContact OD2-NH1 3.19Å; D256-R302 PolarHBondContact OD2-NH1 3.35Å; D256-R302 IonicContact OD2-NH2 2.69Å; D256-R302 PolarHBondContact OD2-NH2 3.27Å
303	S	25.6	Very low	24.7	Very low	72 Å²	72	136.6 Å²	136.6	50%	0.503	70%	0.698	S	S	.	*			trans	-37.9	158.3	158.6	157.7	0	0	0	0	117.7
304	N	23.7	Very low	24.5	Very low	155 Å²	155	135.8 Å²	135.8	83%	0.829	70%	0.698	S	S	*	*				-167.8	-173.9	120.9	-91.1	-2.7	0	0	0	116.1
305	Y	23.5	Very low	24.4	Very low	220 Å²	220	137.2 Å²	137.2	86%	0.863	69%	0.694	S	S	*	*			trans	-135.5	156.6	-148.5	-123.2	-102.9	0	0	0	112.2
306	V	26.5	Very low	24.8	Very low	123 Å²	123	137.8 Å²	137.8	75%	0.745	69%	0.693	S	S	*	*			trans	164.2	126.5	153.1	144	0	0	0	0	107.9
307	K	23.1	Very low	25.1	Very low	142 Å²	142	136.6 Å²	136.6	62%	0.617	69%	0.694	S	S	*	*				67.5	140.1	71.6	-92.1	173.2	164	-95.4	0	112.7
308	E	24.6	Very low	25.1	Very low	112 Å²	112	131.9 Å²	131.9	52%	0.523	69%	0.69	S	S	.	*			cis	-169.7	162.7	-1.8	-148	169.1	-111.6	0	0	110
309	K	22.4	Very low	25.2	Very low	167 Å²	167	133 Å²	133	73%	0.726	69%	0.694	S	S	*	*			trans	69.3	142.5	168.4	-67.1	139.8	177.4	151.9	0	117.1
310	S	22.4	Very low	25.3	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	70%	0.695	S	S	*	*			cis	81.3	123.5	30.7	77.3	0	0	0	0	114.2
311	V	23.4	Very low	25.5	Very low	110 Å²	110	133.8 Å²	133.8	67%	0.667	71%	0.705	S	S	*	*				-173.8	149.2	68	156.8	0	0	0	0	111.9
312	H	22.5	Very low	25.4	Very low	150 Å²	150	131.2 Å²	131.2	69%	0.694	71%	0.708	S	S	*	*			trans	53.4	144.4	166.9	-57.2	-30.7	0	0	0	119.5	W619	H312-W619 AromaticContact ND1-CD1 3.9Å
313	A	23	Very low	25.8	Very low	50 Å²	50	133.5 Å²	133.5	41%	0.413	72%	0.722	S	S	.	*			cis	106.8	115.6	14.7	0	0	0	0	0	114.9	W619	A313-W619 HydrophobicContact CB-CB 4.08Å; A313-W619 HydrophobicContact CB-CD2 3.79Å; A313-W619 HydrophobicContact CB-CE3 4.01Å; A313-W619 HydrophobicContact CB-CG 3.84Å; A313-W619 WeakPolarHBondContact O-CZ2 3.38Å
314	I	23.3	Very low	25.8	Very low	159 Å²	159	136.5 Å²	136.5	82%	0.815	74%	0.737	S	S	*	*			trans	-141.7	155.3	170.1	-67.4	-170.6	0	0	0	110.1	W619	I314-W619 VanDerWaalsContact CA-CZ3 3.41Å; I314-W619 HydrophobicContact CG1-CH2 4.47Å
315	Q	23.9	Very low	25.9	Very low	124 Å²	124	140.9 Å²	140.9	58%	0.579	74%	0.742	S	S	*	*			trans	-95.4	161.2	-154.3	-122.2	163.3	-23.9	0	0	117	W619	Q315-W619 HydrophobicContact CB-CH2 4.44Å; Q315-W619 HydrophobicContact CB-CZ3 3.8Å; Q315-W619 HydrophobicContact CG-CE3 4.42Å; Q315-W619 HydrophobicContact CG-CZ3 3.75Å
316	V	36.1	Very low	26.2	Very low	124 Å²	124	137.9 Å²	137.9	75%	0.752	73%	0.73	S	S	*	*			trans	-55.6	161.5	169.6	-140.2	0	0	0	0	113.4
317	P	31.8	Very low	26.3	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	72%	0.723	S	S	*	*				-139.4	147.4	105.8	37.9	-27.3	0	0	0	115.2
318	A	28.6	Very low	26.6	Very low	90 Å²	90	137.4 Å²	137.4	74%	0.744	72%	0.722	S	S	*	*			trans	-96.3	163	175.7	0	0	0	0	0	112.8
319	R	26.5	Very low	26.9	Very low	257 Å²	257	139 Å²	139	97%	0.97	73%	0.729	S	S	*	*			trans	-147.4	165.2	159.8	-110.7	176.7	-173.5	-166.2	1	112.1
320	S	27.8	Very low	27	Very low	104 Å²	104	140.4 Å²	140.4	73%	0.727	74%	0.738	S	S	*	*			trans	-140.3	-163.2	-155.3	61.8	0	0	0	0	113.6
321	T	27.7	Very low	27.2	Very low	144 Å²	144	145.4 Å²	145.4	88%	0.883	74%	0.742	S	S	*	*			trans	83.3	142.4	-176.2	75.2	0	0	0	0	115.7
322	G	25.5	Very low	27.1	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	74%	0.742	S	S	*	*			cis	158.2	159.1	-11.6	0	0	0	0	0	113.9
323	K	29.3	Very low	27.6	Very low	206 Å²	206	141.9 Å²	141.9	90%	0.896	74%	0.739	S	S	*	*			trans	80.2	151.5	177.2	-58.8	178.8	-179.3	-179.9	0	117
324	T	25.6	Very low	27.9	Very low	135 Å²	135	145.9 Å²	145.9	83%	0.828	75%	0.749	S	S	*	*			cis	-161.7	169.7	-47.7	10.5	0	0	0	0	110
325	W	26.2	Very low	28.1	Very low	247 Å²	247	141.7 Å²	141.7	94%	0.936	73%	0.728	S	S	*	*			trans	-120.6	146.6	-168.4	-99.3	74.9	0	0	0	115.7
326	R	30	Very low	28.5	Very low	157 Å²	157	144.7 Å²	144.7	59%	0.592	74%	0.742	S	S	*	*			trans	178.2	162.8	144.7	-114.4	-177.3	-92.8	-87.8	9	111.4	P489	R326-P489 VanDerWaalsContact NH1-CB 3.26Å
327	E	27.8	Very low	28.4	Very low	132 Å²	132	147 Å²	147	62%	0.617	74%	0.742	S	S	*	*			cis	-150.7	177.5	7.7	-157.8	134.2	-146.7	0	0	114.4
328	Q	29.8	Very low	28.9	Very low	124 Å²	124	144.5 Å²	144.5	58%	0.579	72%	0.721	S	S	*	*			trans	-24.3	153	173.3	-73.3	156.3	-4.5	0	0	120.3
329	Q	32.3	Very low	29.1	Very low	144 Å²	144	144.3 Å²	144.3	67%	0.673	72%	0.72	S	S	*	*			cis	104.7	123.6	28.9	-92.9	-167.1	-17.9	0	0	114.4
330	Q	23.6	Very low	29.6	Very low	198 Å²	198	133.7 Å²	133.7	93%	0.925	69%	0.69	S	S	*	*			trans	-156.1	170.9	143.9	-152	153.1	-2.4	0	0	111
331	W	26.7	Very low	30.7	Very low	205 Å²	205	134.1 Å²	134.1	78%	0.777	69%	0.688	S	S	*	*			trans	-144.6	153.9	-162.2	-94.8	81.9	0	0	0	115.5	L333	W331-L333 HydrophobicContact CE3-CD1 4.39Å; W331-L333 HydrophobicContact CE3-CD2 3.86Å; W331-L333 HydrophobicContact CE3-CG 3.95Å; W331-L333 HydrophobicContact CZ3-CD2 3.82Å; W331-L333 HydrophobicContact CZ3-CG 4.42Å
332	G	22	Very low	31.8	Very low	65 Å²	65	134.7 Å²	134.7	67%	0.67	68%	0.681	S	S	*	*			trans	171.6	118.6	160.1	0	0	0	0	0	110
333	L	32.3	Very low	34	Very low	122 Å²	122	133.5 Å²	133.5	64%	0.639	66%	0.656	S	S	*	*			cis	86.1	131.5	34.9	-61.5	172.1	0	0	0	113	W331	W331-L333 HydrophobicContact CE3-CD1 4.39Å; W331-L333 HydrophobicContact CE3-CD2 3.86Å; W331-L333 HydrophobicContact CE3-CG 3.95Å; W331-L333 HydrophobicContact CZ3-CD2 3.82Å; W331-L333 HydrophobicContact CZ3-CG 4.42Å
334	E	29.5	Very low	35.9	Very low	133 Å²	133	126.2 Å²	126.2	62%	0.621	63%	0.631	S	S	*	*			cis	-151.5	175.8	-10.1	-92.4	-66.1	63	0	0	107.2
335	D	27.2	Very low	37.9	Very low	71 Å²	71	122.9 Å²	122.9	38%	0.38	60%	0.603	S	S	.	*			cis	-141.1	158.9	7.6	173.6	39.8	0	0	0	109.8	K337 L387	D335-K337 PolarHBondContact OD1-N 3.36Å; D335-L387 HydrophobicContact CB-CD1 3.86Å; D335-L387 WeakPolarHBondContact OD1-CD1 3.2Å; D335-L387 WeakPolarHBondContact OD2-CD1 3.09Å
336	E	32.4	Very low	39.7	Very low	188 Å²	188	114.9 Å²	114.9	88%	0.879	58%	0.576	S	S	*	*			trans	-157.7	40.1	151.7	-116	-143	148.3	0	0	112
337	K	33.8	Very low	41.9	Very low	172 Å²	172	108.5 Å²	108.5	75%	0.748	55%	0.553	S	S	*	*			trans	-130.4	22.2	-165.9	-76	179.6	-176.4	154.7	0	117.8	D335 A339	D335-K337 PolarHBondContact OD1-N 3.36Å; K337-A339 VanDerWaalsContact C-N 3.28Å; K337-A339 PolarHBondContact O-N 3.04Å
338	I	42.7	Very low	44.2	Very low	74 Å²	74	102.6 Å²	102.6	38%	0.379	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	62.1	169.6	-44.1	-172.7	0	0	0	113.1	L387 T389	I338-L387 HydrophobicContact CD1-CB 3.9Å; I338-L387 HydrophobicContact CG1-CB 3.72Å; I338-L387 HydrophobicContact CG1-CD1 4.32Å; I338-T389 HydrophobicContact CG2-CG2 4.45Å
339	A	31.5	Very low	46.3	Very low	87 Å²	87	99.7 Å²	99.7	72%	0.719	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.5	8.4	177.2	0	0	0	0	0	117.2	K337 V341	K337-A339 VanDerWaalsContact C-N 3.28Å; K337-A339 PolarHBondContact O-N 3.04Å; A339-V341 PolarHBondContact O-N 3.09Å
340	G	37.6	Very low	48.4	Very low	34 Å²	34	94.8 Å²	94.8	35%	0.351	49%	0.492	S	S	.	.			trans	-69.2	97.2	175	0	0	0	0	0	113.1	H342 R388	G340-H342 CarbonylContact C-O 3.15Å; G340-H342 PolarHBondContact O-N 2.87Å; G340-R388 PolarHBondContact O-NH1 2.94Å; G340-R388 PolarHBondContact O-NH2 3.49Å
341	V	50.8	Low	51.2	Low	113 Å²	113	85.3 Å²	85.3	69%	0.685	45%	0.447	S	S	*	.	S	Bend	trans	-64.1	-25.7	170.6	178	0	0	0	0	111.4	A339	A339-V341 PolarHBondContact O-N 3.09Å
342	H	52.2	Low	53.6	Low	155 Å²	155	75.8 Å²	75.8	72%	0.718	41%	0.412	S	S	*	.	S	Bend	trans	-82.9	135.7	165.2	-69.8	-104.5	0	0	0	109.2	G340 R388	G340-H342 CarbonylContact C-O 3.15Å; G340-H342 PolarHBondContact O-N 2.87Å; H342-R388 PolarHBondContact O-NH2 3.39Å
343	W	71.4	Confident	56.1	Low	42 Å²	42	74.4 Å²	74.4	16%	0.159	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-96.1	140.2	165.3	-69.6	49.3	0	0	0	107.1	E347 F351 L381 R388 Q392 K396	W343-E347 VanDerWaalsContact CA-OE2 3.24Å; W343-E347 WeakPolarHBondContact CA-OE2 3.43Å; W343-E347 HydrophobicContact CB-CB 4.48Å; W343-E347 HydrophobicContact CE3-CB 3.86Å; W343-F351 HydrophobicContact CH2-CD2 4.28Å; W343-F351 HydrophobicContact CH2-CG 4.31Å; W343-F351 HydrophobicContact CZ3-CB 3.84Å; W343-F351 HydrophobicContact CZ3-CD1 4.5Å; W343-F351 HydrophobicContact CZ3-CD2 4.31Å; W343-F351 AromaticContact CZ3-CG 3.97Å; W343-F351 HydrophobicContact CZ3-CG 3.97Å; W343-L381 HydrophobicContact CH2-CD1 3.97Å; W343-L381 HydrophobicContact CZ3-CD1 4.04Å; W343-R388 HydrophobicContact CH2-CG 4.26Å; W343-R388 HydrophobicContact CZ2-CG 4.49Å; W343-Q392 HydrophobicContact CZ2-CB 4.28Å; W343-K396 HydrophobicContact CD2-CB 4.5Å; W343-K396 HydrophobicContact CD2-CD 3.6Å; W343-K396 HydrophobicContact CD2-CG 3.96Å; W343-K396 HydrophobicContact CE3-CD 4.04Å; W343-K396 HydrophobicContact CE3-CG 4.09Å; W343-K396 HydrophobicContact CG-CD 3.86Å; W343-K396 VanDerWaalsContact CG-NZ 3.32Å; W343-K396 HydrophobicContact CH2-CB 4.1Å; W343-K396 HydrophobicContact CH2-CG 3.98Å; W343-K396 HydrophobicContact CZ2-CB 3.6Å; W343-K396 HydrophobicContact CZ2-CD 4.28Å; W343-K396 HydrophobicContact CZ2-CG 3.8Å; W343-K396 HydrophobicContact CZ3-CG 4.12Å
344	S	68.5	Low	58.2	Low	53 Å²	53	68.8 Å²	68.8	37%	0.371	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.9	165.1	168.7	86.5	0	0	0	0	110.7	E346 E347 T348	S344-E346 PolarHBondContact O-N 3.17Å; S344-E346 PolarHBondContact OG-N 3.06Å; S344-E347 PolarHBondContact N-OE2 3.33Å; S344-E347 WeakPolarHBondContact OG-CG 3.45Å; S344-E347 PolarHBondContact OG-N 2.96Å; S344-T348 WeakPolarHBondContact O-CB 3.28Å; S344-T348 PolarHBondContact O-N 3.39Å; S344-T348 PolarHBondContact O-OG1 3.29Å
345	Y	67.6	Low	60.3	Low	65 Å²	65	62.5 Å²	62.5	26%	0.255	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-37.5	172.9	176.9	-104.7	0	0	0	111.1	T348 K349 F418	Y345-T348 WeakPolarHBondContact O-CB 3.43Å; Y345-T348 PolarHBondContact O-N 3.35Å; Y345-K349 WeakPolarHBondContact O-CB 3.32Å; Y345-K349 PolarHBondContact O-N 3.31Å; Y345-F418 HydrophobicContact CE2-CB 3.92Å
346	E	64.8	Low	62.3	Low	79 Å²	79	65.3 Å²	65.3	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-78.9	-44.2	-174.4	-57.7	-168.7	-146.4	0	0	112	S344 T348 K349 T350 S496	S344-E346 PolarHBondContact O-N 3.17Å; S344-E346 PolarHBondContact OG-N 3.06Å; E346-T348 PolarHBondContact O-N 2.87Å; E346-T348 VanDerWaalsContact O-N 3.14Å; E346-K349 PolarHBondContact O-N 3.3Å; E346-T350 PolarHBondContact O-N 2.94Å; E346-T350 PolarHBondContact O-OG1 3.25Å; E346-T350 VanDerWaalsContact O-OG1 3.12Å; E346-S496 PolarHBondContact OE1-OG 2.92Å; E346-S496 WeakPolarHBondContact OE2-CB 3.43Å; E346-S496 PolarHBondContact OE2-OG 3.07Å
347	E	74.6	Confident	63.8	Low	22 Å²	22	63.6 Å²	63.6	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-52	-38.6	167.7	-73.8	-178.5	113.6	0	0	111.4	W343 S344 F351 F386 R388	W343-E347 VanDerWaalsContact CA-OE2 3.24Å; W343-E347 WeakPolarHBondContact CA-OE2 3.43Å; W343-E347 HydrophobicContact CB-CB 4.48Å; W343-E347 HydrophobicContact CE3-CB 3.86Å; S344-E347 PolarHBondContact N-OE2 3.33Å; S344-E347 WeakPolarHBondContact OG-CG 3.45Å; S344-E347 PolarHBondContact OG-N 2.96Å; E347-F351 WeakPolarHBondContact O-CB 3.49Å; E347-F351 PolarHBondContact O-N 3.11Å; E347-F351 VanDerWaalsContact O-N 3.08Å; E347-F386 HydrophobicContact CG-CB 4.47Å; E347-F386 HydrophobicContact CG-CD1 3.45Å; E347-F386 VanDerWaalsContact CG-CD1 3.45Å; E347-F386 HydrophobicContact CG-CD2 4.43Å; E347-F386 HydrophobicContact CG-CE1 3.64Å; E347-F386 HydrophobicContact CG-CG 3.87Å; E347-F386 HydrophobicContact CG-CZ 4.22Å; E347-R388 IonicContact OE1-CZ 2.81Å; E347-R388 IonicContact OE1-NE 3.17Å; E347-R388 PolarHBondContact OE1-NE 3.44Å; E347-R388 IonicContact OE1-NH2 3.42Å; E347-R388 PolarHBondContact OE1-NH2 3.16Å; E347-R388 IonicContact OE2-CZ 3.84Å; E347-R388 IonicContact OE2-NH2 3.98Å; E347-R388 PolarHBondContact OE2-NH2 3.25Å
348	T	77.1	Confident	64.9	Low	9 Å²	9	57.6 Å²	57.6	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-71.4	-37.7	178.9	-54.8	0	0	0	0	112.3	S344 Y345 E346 L352 K396 F418	S344-T348 WeakPolarHBondContact O-CB 3.28Å; S344-T348 PolarHBondContact O-N 3.39Å; S344-T348 PolarHBondContact O-OG1 3.29Å; Y345-T348 WeakPolarHBondContact O-CB 3.43Å; Y345-T348 PolarHBondContact O-N 3.35Å; E346-T348 PolarHBondContact O-N 2.87Å; E346-T348 VanDerWaalsContact O-N 3.14Å; T348-L352 HydrophobicContact CG2-CD1 4.5Å; T348-L352 VanDerWaalsContact O-CG 3.29Å; T348-L352 WeakPolarHBondContact O-CG 3.28Å; T348-L352 PolarHBondContact O-N 2.62Å; T348-K396 PolarHBondContact OG1-NZ 3.4Å; T348-F418 HydrophobicContact CG2-CD2 3.56Å; T348-F418 HydrophobicContact CG2-CE2 3.38Å; T348-F418 HydrophobicContact CG2-CZ 4.47Å
349	K	73.6	Confident	65.7	Low	62 Å²	62	63.3 Å²	63.3	27%	0.27	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-48	178.7	-169.1	-170.8	-178.8	-158.6	0	110.7	Y345 E346 F351 L352 A353 S496	Y345-K349 WeakPolarHBondContact O-CB 3.32Å; Y345-K349 PolarHBondContact O-N 3.31Å; E346-K349 PolarHBondContact O-N 3.3Å; K349-F351 PolarHBondContact O-N 3.28Å; K349-L352 PolarHBondContact O-N 3.47Å; K349-A353 PolarHBondContact O-N 2.83Å; K349-S496 PolarHBondContact NZ-O 3.1Å
350	T	76.9	Confident	67.4	Low	41 Å²	41	61.3 Å²	61.3	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-59.4	-45.7	176.3	-55.2	0	0	0	0	111.1	E346 L352 A353 I354 L381 C384 F386	E346-T350 PolarHBondContact O-N 2.94Å; E346-T350 PolarHBondContact O-OG1 3.25Å; E346-T350 VanDerWaalsContact O-OG1 3.12Å; T350-L352 PolarHBondContact O-N 2.82Å; T350-A353 WeakPolarHBondContact O-CB 3.41Å; T350-A353 PolarHBondContact O-N 3.43Å; T350-A353 VanDerWaalsContact O-N 3.08Å; T350-I354 HydrophobicContact CG2-CD1 4Å; T350-I354 HydrophobicContact CG2-CG1 4.43Å; T350-I354 VanDerWaalsContact O-CG1 3.28Å; T350-I354 WeakPolarHBondContact O-CG1 3.48Å; T350-I354 PolarHBondContact O-N 3.39Å; T350-L381 HydrophobicContact CG2-CD2 4.07Å; T350-C384 HydrophobicContact CG2-CB 4.33Å; T350-F386 HydrophobicContact CG2-CE2 4.35Å
351	F	81.4	Confident	68.8	Low	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.4	-32.8	174	177.8	-111.7	0	0	0	114.1	W343 E347 K349 L355 V377 L381 C393 K396 F397 L400	W343-F351 HydrophobicContact CH2-CD2 4.28Å; W343-F351 HydrophobicContact CH2-CG 4.31Å; W343-F351 HydrophobicContact CZ3-CB 3.84Å; W343-F351 HydrophobicContact CZ3-CD1 4.5Å; W343-F351 HydrophobicContact CZ3-CD2 4.31Å; W343-F351 AromaticContact CZ3-CG 3.97Å; W343-F351 HydrophobicContact CZ3-CG 3.97Å; E347-F351 WeakPolarHBondContact O-CB 3.49Å; E347-F351 PolarHBondContact O-N 3.11Å; E347-F351 VanDerWaalsContact O-N 3.08Å; K349-F351 PolarHBondContact O-N 3.28Å; F351-L355 HydrophobicContact CD1-CD1 4.24Å; F351-L355 HydrophobicContact CE1-CD1 3.77Å; F351-L355 HydrophobicContact CE2-CD1 4.22Å; F351-L355 HydrophobicContact CZ-CD1 3.77Å; F351-L355 WeakPolarHBondContact O-CG 3.26Å; F351-L355 PolarHBondContact O-N 3.06Å; F351-V377 HydrophobicContact CD2-CG1 3.72Å; F351-V377 HydrophobicContact CE2-CG1 3.57Å; F351-L381 HydrophobicContact CB-CD1 4.41Å; F351-L381 HydrophobicContact CD2-CD1 3.89Å; F351-C393 HydrophobicContact CE2-CB 3.71Å; F351-C393 HydrophobicContact CZ-CB 4.27Å; F351-C393 VanDerWaalsContact CZ-O 3.28Å; F351-C393 WeakPolarHBondContact CZ-O 3.33Å; F351-K396 HydrophobicContact CD1-CG 3.8Å; F351-K396 HydrophobicContact CE1-CB 4.2Å; F351-K396 HydrophobicContact CE1-CG 3.66Å; F351-K396 HydrophobicContact CZ-CB 4.49Å; F351-K396 HydrophobicContact CZ-CG 4.38Å; F351-F397 HydrophobicContact CE1-CB 4.22Å; F351-F397 HydrophobicContact CZ-CB 4.05Å; F351-L400 HydrophobicContact CD1-CD1 4.21Å; F351-L400 HydrophobicContact CE1-CD1 4.2Å
352	L	77.3	Confident	69.5	Low	4 Å²	4	61.1 Å²	61.1	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-81	-32.8	176.6	-66.1	171.9	0	0	0	112.5	T348 K349 T350 L355 K356 L400 F418 D421 M422 L425	T348-L352 HydrophobicContact CG2-CD1 4.5Å; T348-L352 VanDerWaalsContact O-CG 3.29Å; T348-L352 WeakPolarHBondContact O-CG 3.28Å; T348-L352 PolarHBondContact O-N 2.62Å; K349-L352 PolarHBondContact O-N 3.47Å; T350-L352 PolarHBondContact O-N 2.82Å; L352-L355 HydrophobicContact CD2-CD1 4.48Å; L352-K356 WeakPolarHBondContact O-CB 3.48Å; L352-K356 PolarHBondContact O-N 3.08Å; L352-L400 HydrophobicContact CD1-CD1 4.49Å; L352-L400 HydrophobicContact CD2-CD1 3.89Å; L352-L400 HydrophobicContact CG-CD1 4.41Å; L352-F418 HydrophobicContact CD1-CD2 4.17Å; L352-F418 HydrophobicContact CD1-CE2 4.44Å; L352-D421 HydrophobicContact CD1-CB 4.23Å; L352-M422 HydrophobicContact CD1-CG 3.86Å; L352-M422 HydrophobicContact CD1-SD 3.92Å; L352-M422 HydrophobicContact CD2-CG 4.41Å; L352-M422 HydrophobicContact CD2-SD 3.4Å; L352-M422 WeakPolarHBondContact CD2-SD 3.46Å; L352-M422 HydrophobicContact CG-SD 4.33Å; L352-L425 HydrophobicContact CB-CD1 3.87Å; L352-L425 HydrophobicContact CD2-CD1 3.56Å; L352-L425 HydrophobicContact CG-CD1 4.27Å
353	A	75.4	Confident	70.3	Confident	37 Å²	37	56.2 Å²	56.2	31%	0.306	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-47.1	171.3	0	0	0	0	0	111.8	K349 T350 L355 K356 E357	K349-A353 PolarHBondContact O-N 2.83Å; T350-A353 WeakPolarHBondContact O-CB 3.41Å; T350-A353 PolarHBondContact O-N 3.43Å; T350-A353 VanDerWaalsContact O-N 3.08Å; A353-L355 VanDerWaalsContact C-N 3.31Å; A353-L355 PolarHBondContact O-N 3.08Å; A353-K356 WeakPolarHBondContact O-CA 3.47Å; A353-K356 WeakPolarHBondContact O-CB 3.36Å; A353-K356 PolarHBondContact O-N 2.95Å; A353-E357 PolarHBondContact O-N 3.38Å
354	I	77.1	Confident	70.1	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-43.2	179	-60.8	166.7	0	0	0	111.1	T350 K356 S358 F360 V377 W380 L381	T350-I354 HydrophobicContact CG2-CD1 4Å; T350-I354 HydrophobicContact CG2-CG1 4.43Å; T350-I354 VanDerWaalsContact O-CG1 3.28Å; T350-I354 WeakPolarHBondContact O-CG1 3.48Å; T350-I354 PolarHBondContact O-N 3.39Å; I354-K356 PolarHBondContact O-N 2.9Å; I354-S358 PolarHBondContact O-OG 3.4Å; I354-F360 HydrophobicContact CG2-CD2 4.32Å; I354-F360 HydrophobicContact CG2-CE2 4.38Å; I354-V377 HydrophobicContact CG2-CB 4.38Å; I354-V377 HydrophobicContact CG2-CG1 4.11Å; I354-V377 HydrophobicContact CG2-CG2 4.01Å; I354-W380 HydrophobicContact CD1-CB 4.15Å; I354-W380 HydrophobicContact CD1-CE3 4.23Å; I354-W380 HydrophobicContact CG1-CE3 3.77Å; I354-W380 HydrophobicContact CG1-CZ3 4.36Å; I354-W380 HydrophobicContact CG2-CB 4.23Å; I354-W380 HydrophobicContact CG2-CE3 4.27Å; I354-L381 HydrophobicContact CD1-CD2 3.71Å; I354-L381 HydrophobicContact CD1-CG 3.79Å
355	L	72.3	Confident	69.8	Low	1 Å²	1	57.6 Å²	57.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-20.4	175.7	-73.5	173.6	0	0	0	113.7	F351 L352 A353 F360 Y361 L364 V377 F397 L425	F351-L355 HydrophobicContact CD1-CD1 4.24Å; F351-L355 HydrophobicContact CE1-CD1 3.77Å; F351-L355 HydrophobicContact CE2-CD1 4.22Å; F351-L355 HydrophobicContact CZ-CD1 3.77Å; F351-L355 WeakPolarHBondContact O-CG 3.26Å; F351-L355 PolarHBondContact O-N 3.06Å; L352-L355 HydrophobicContact CD2-CD1 4.48Å; A353-L355 VanDerWaalsContact C-N 3.31Å; A353-L355 PolarHBondContact O-N 3.08Å; L355-F360 HydrophobicContact CD2-CB 4.18Å; L355-Y361 WeakPolarHBondContact O-CB 3.21Å; L355-Y361 PolarHBondContact O-N 3.29Å; L355-L364 HydrophobicContact CD2-CD1 3.82Å; L355-V377 HydrophobicContact CD2-CG2 4.22Å; L355-F397 HydrophobicContact CD1-CD2 3.8Å; L355-F397 HydrophobicContact CD1-CE2 4.13Å; L355-L425 HydrophobicContact CB-CD2 4.42Å
356	K	69.8	Low	69.7	Low	130 Å²	130	58.4 Å²	58.4	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-94.1	-40.6	-174.9	-171.6	-177.8	179.8	-178.2	0	113.2	L352 A353 I354 L425	L352-K356 WeakPolarHBondContact O-CB 3.48Å; L352-K356 PolarHBondContact O-N 3.08Å; A353-K356 WeakPolarHBondContact O-CA 3.47Å; A353-K356 WeakPolarHBondContact O-CB 3.36Å; A353-K356 PolarHBondContact O-N 2.95Å; I354-K356 PolarHBondContact O-N 2.9Å; K356-L425 HydrophobicContact CB-CD2 3.88Å; K356-L425 HydrophobicContact CG-CD2 4.29Å
357	E	63.4	Low	69.4	Low	152 Å²	152	58.1 Å²	58.1	71%	0.71	30%	0.299	S	S	*	.	H	α-helix	trans	-82.7	-24.6	-170.9	-68.5	179.9	168.4	0	0	113.1	A353	A353-E357 PolarHBondContact O-N 3.38Å
358	S	56.8	Low	68.8	Low	45 Å²	45	60.7 Å²	60.7	32%	0.315	32%	0.318	S	S	.	.	S	Bend	trans	-116.3	150.6	172.5	54.3	0	0	0	0	109.7	I354 F360	I354-S358 PolarHBondContact O-OG 3.4Å; S358-F360 PolarHBondContact O-N 3.42Å; S358-F360 WeakPolarHBondContact OG-CD2 3.09Å; S358-F360 WeakPolarHBondContact OG-CE2 3.32Å
359	R	59.1	Low	67.9	Low	194 Å²	194	70.5 Å²	70.5	73%	0.732	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	15.9	-173	-64.1	-172.7	173.9	161.3	-0.8	115	Y361 E362 T363	R359-Y361 VanDerWaalsContact C-N 3.31Å; R359-Y361 PolarHBondContact O-N 3.27Å; R359-E362 WeakPolarHBondContact CB-OE2 3.32Å; R359-E362 WeakPolarHBondContact CD-OE2 3.43Å; R359-E362 WeakPolarHBondContact CG-OE2 3.47Å; R359-E362 IonicContact NE-OE2 2.64Å; R359-E362 PolarHBondContact O-N 3.15Å; R359-T363 WeakPolarHBondContact O-CB 3.38Å; R359-T363 PolarHBondContact O-N 3.24Å; R359-T363 PolarHBondContact O-OG1 3.47Å
360	F	67.2	Low	67.7	Low	45 Å²	45	69.7 Å²	69.7	20%	0.197	35%	0.352	C	S	.	.	H	α-helix	trans	-55	-42.4	172.9	-65.5	-34.1	0	0	0	112.2	I354 L355 S358 T363 L364 V373 A376 V377	I354-F360 HydrophobicContact CG2-CD2 4.32Å; I354-F360 HydrophobicContact CG2-CE2 4.38Å; L355-F360 HydrophobicContact CD2-CB 4.18Å; S358-F360 PolarHBondContact O-N 3.42Å; S358-F360 WeakPolarHBondContact OG-CD2 3.09Å; S358-F360 WeakPolarHBondContact OG-CE2 3.32Å; F360-T363 PolarHBondContact O-N 3.22Å; F360-L364 VanDerWaalsContact O-CB 3.31Å; F360-L364 WeakPolarHBondContact O-CB 3.43Å; F360-L364 WeakPolarHBondContact O-CG 3.46Å; F360-L364 PolarHBondContact O-N 3.39Å; F360-V373 HydrophobicContact CB-CG1 3.55Å; F360-V373 HydrophobicContact CD1-CB 4.31Å; F360-V373 HydrophobicContact CD1-CG1 3.58Å; F360-V373 HydrophobicContact CD1-CG2 4.18Å; F360-V373 HydrophobicContact CE1-CG1 4.49Å; F360-V373 HydrophobicContact CG-CG1 3.73Å; F360-A376 HydrophobicContact CE1-CB 4Å; F360-A376 HydrophobicContact CE2-CB 4.29Å; F360-A376 HydrophobicContact CZ-CB 3.54Å; F360-V377 HydrophobicContact CB-CG2 4.27Å; F360-V377 HydrophobicContact CD2-CG2 3.35Å; F360-V377 HydrophobicContact CE2-CG2 3.78Å; F360-V377 HydrophobicContact CG-CG2 3.91Å
361	Y	66.8	Low	67.3	Low	23 Å²	23	71.6 Å²	71.6	9%	0.09	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-46.5	177.3	177.4	-94	0	0	0	112.6	L355 R359 T363 L364 Q365 F397 L425 L426	L355-Y361 WeakPolarHBondContact O-CB 3.21Å; L355-Y361 PolarHBondContact O-N 3.29Å; R359-Y361 VanDerWaalsContact C-N 3.31Å; R359-Y361 PolarHBondContact O-N 3.27Å; Y361-T363 VanDerWaalsContact C-N 3.32Å; Y361-T363 PolarHBondContact O-N 2.86Å; Y361-L364 CarbonylContact O-C 3.58Å; Y361-L364 PolarHBondContact O-N 3.34Å; Y361-Q365 HydrophobicContact CE1-CB 4.43Å; Y361-Q365 WeakPolarHBondContact O-CB 3.46Å; Y361-Q365 PolarHBondContact O-N 3.29Å; Y361-Q365 PolarHBondContact OH-OE1 3.22Å; Y361-Q365 VanDerWaalsContact OH-OE1 3.08Å; Y361-F397 HydrophobicContact CD2-CE2 4.05Å; Y361-F397 HydrophobicContact CD2-CZ 4.13Å; Y361-F397 HydrophobicContact CE2-CE2 4.1Å; Y361-F397 AromaticContact CE2-CZ 3.93Å; Y361-F397 HydrophobicContact CE2-CZ 3.93Å; Y361-L425 HydrophobicContact CD2-CD2 4.26Å; Y361-L425 WeakPolarHBondContact CE1-O 3.43Å; Y361-L425 HydrophobicContact CG-CD2 4.04Å; Y361-L425 PolarHBondContact OH-O 3.14Å; Y361-L426 HydrophobicContact CE2-CD2 3.98Å
362	E	66.8	Low	66.8	Low	120 Å²	120	78.9 Å²	78.9	56%	0.561	40%	0.401	S	S	*	.	H	α-helix	trans	-58.8	-45.2	175.3	-57.4	178.9	153	0	0	111	R359 L364 Q365 A366	R359-E362 WeakPolarHBondContact CB-OE2 3.32Å; R359-E362 WeakPolarHBondContact CD-OE2 3.43Å; R359-E362 WeakPolarHBondContact CG-OE2 3.47Å; R359-E362 IonicContact NE-OE2 2.64Å; R359-E362 PolarHBondContact O-N 3.15Å; E362-L364 VanDerWaalsContact C-N 3.35Å; E362-L364 PolarHBondContact O-N 3.15Å; E362-Q365 PolarHBondContact O-N 2.89Å; E362-A366 PolarHBondContact O-N 3.31Å
363	T	67.6	Low	66.7	Low	53 Å²	53	79.1 Å²	79.1	33%	0.325	40%	0.403	S	S	.	.	H	α-helix	trans	-63.1	-37.5	176.7	-50.3	0	0	0	0	112.2	R359 F360 Y361 C367 V373	R359-T363 WeakPolarHBondContact O-CB 3.38Å; R359-T363 PolarHBondContact O-N 3.24Å; R359-T363 PolarHBondContact O-OG1 3.47Å; F360-T363 PolarHBondContact O-N 3.22Å; Y361-T363 VanDerWaalsContact C-N 3.32Å; Y361-T363 PolarHBondContact O-N 2.86Å; T363-C367 PolarHBondContact O-N 3.44Å; T363-V373 HydrophobicContact CG2-CG2 3.77Å
364	L	67.4	Low	66.8	Low	2 Å²	2	77.5 Å²	77.5	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-76.7	-24.3	175.3	-72.4	177.8	0	0	0	113.4	L355 F360 Y361 E362 C367 P368 V373 Y374	L355-L364 HydrophobicContact CD2-CD1 3.82Å; F360-L364 VanDerWaalsContact O-CB 3.31Å; F360-L364 WeakPolarHBondContact O-CB 3.43Å; F360-L364 WeakPolarHBondContact O-CG 3.46Å; F360-L364 PolarHBondContact O-N 3.39Å; Y361-L364 CarbonylContact O-C 3.58Å; Y361-L364 PolarHBondContact O-N 3.34Å; E362-L364 VanDerWaalsContact C-N 3.35Å; E362-L364 PolarHBondContact O-N 3.15Å; L364-C367 CarbonylContact O-C 3.56Å; L364-P368 VanDerWaalsContact O-CA 3.24Å; L364-P368 WeakPolarHBondContact O-CA 3.45Å; L364-P368 WeakPolarHBondContact O-CD 3.46Å; L364-P368 VanDerWaalsContact O-CG 3.29Å; L364-P368 WeakPolarHBondContact O-CG 3.34Å; L364-V373 HydrophobicContact CD1-CG1 3.88Å; L364-V373 HydrophobicContact CD2-CB 4.05Å; L364-V373 HydrophobicContact CD2-CG1 3.87Å; L364-V373 HydrophobicContact CG-CB 4.36Å; L364-V373 HydrophobicContact CG-CG1 3.65Å; L364-Y374 HydrophobicContact CD1-CD1 4.45Å; L364-Y374 HydrophobicContact CD1-CE1 3.73Å; L364-Y374 HydrophobicContact CD1-CE2 4.38Å; L364-Y374 HydrophobicContact CD2-CD2 4.11Å; L364-Y374 HydrophobicContact CD2-CE1 4.27Å; L364-Y374 HydrophobicContact CD2-CE2 3.38Å; L364-Y374 VanDerWaalsContact CD2-CZ 3.49Å
365	Q	63.4	Low	66.7	Low	122 Å²	122	77.9 Å²	77.9	57%	0.57	39%	0.394	S	S	*	.	H	α-helix	trans	-72.4	-41.6	171.3	-179.3	168.8	-25.9	0	0	110.6	Y361 E362	Y361-Q365 HydrophobicContact CE1-CB 4.43Å; Y361-Q365 WeakPolarHBondContact O-CB 3.46Å; Y361-Q365 PolarHBondContact O-N 3.29Å; Y361-Q365 PolarHBondContact OH-OE1 3.22Å; Y361-Q365 VanDerWaalsContact OH-OE1 3.08Å; E362-Q365 PolarHBondContact O-N 2.89Å
366	A	64.6	Low	66.9	Low	81 Å²	81	79.1 Å²	79.1	67%	0.669	40%	0.404	S	S	*	.	H	α-helix	trans	-70.7	-43.4	173.3	0	0	0	0	0	112.9	E362	E362-A366 PolarHBondContact O-N 3.31Å
367	C	59.8	Low	67.3	Low	74 Å²	74	72.9 Å²	72.9	50%	0.5	38%	0.377	S	S	.	.			trans	-132.7	79.6	-177.5	-81.3	0	0	0	0	112.9	T363 L364 R369 N370	T363-C367 PolarHBondContact O-N 3.44Å; L364-C367 CarbonylContact O-C 3.56Å; C367-R369 PolarHBondContact O-N 3.45Å; C367-N370 HydrophobicContact CB-CB 4.38Å; C367-N370 PolarHBondContact O-N 3.47Å
368	P	60.6	Low	68	Low	76 Å²	76	65.7 Å²	65.7	49%	0.494	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	1.8	-177.9	-21.2	30.8	0	0	0	116.3	L364	L364-P368 VanDerWaalsContact O-CA 3.24Å; L364-P368 WeakPolarHBondContact O-CA 3.45Å; L364-P368 WeakPolarHBondContact O-CD 3.46Å; L364-P368 VanDerWaalsContact O-CG 3.29Å; L364-P368 WeakPolarHBondContact O-CG 3.34Å
369	R	58.4	Low	69.1	Low	215 Å²	215	68.8 Å²	68.8	81%	0.811	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-14.4	177.6	-68.4	-171.2	179.4	-164.8	2.3	114.5	C367 S371 R394	C367-R369 PolarHBondContact O-N 3.45Å; R369-S371 PolarHBondContact O-N 3.11Å; R369-R394 PolarHBondContact O-NH2 2.79Å
370	N	70.4	Confident	69.9	Low	45 Å²	45	65.5 Å²	65.5	24%	0.241	34%	0.34	C	S	.	.			trans	-56.6	118.5	-176.7	-174.3	-23.6	0	0	0	110.5	C367 Q372 V373 Y374	C367-N370 HydrophobicContact CB-CB 4.38Å; C367-N370 PolarHBondContact O-N 3.47Å; N370-Q372 WeakPolarHBondContact OD1-CB 3.47Å; N370-Q372 PolarHBondContact OD1-N 3.23Å; N370-V373 HydrophobicContact CB-CG2 4.4Å; N370-V373 PolarHBondContact OD1-N 2.97Å; N370-Y374 WeakPolarHBondContact O-CD2 3.43Å
371	S	67.4	Low	70.3	Confident	81 Å²	81	63.3 Å²	63.3	57%	0.566	33%	0.331	S	S	*	.	H	α-helix	trans	-79.9	-36.1	179.9	41.3	0	0	0	0	112.8	R369 V373 Y374 G375	R369-S371 PolarHBondContact O-N 3.11Å; S371-V373 PolarHBondContact O-N 2.93Å; S371-Y374 CarbonylContact O-C 3.55Å; S371-Y374 PolarHBondContact O-N 3.24Å; S371-G375 PolarHBondContact O-N 2.86Å
372	Q	71.5	Confident	70.8	Confident	153 Å²	153	69.1 Å²	69.1	72%	0.715	35%	0.353	S	S	*	.	H	α-helix	trans	-57.9	-38.5	-178.3	-62.8	168.1	-38.3	0	0	111.5	N370 G375 A376	N370-Q372 WeakPolarHBondContact OD1-CB 3.47Å; N370-Q372 PolarHBondContact OD1-N 3.23Å; Q372-G375 WeakPolarHBondContact O-CA 3.31Å; Q372-G375 PolarHBondContact O-N 2.87Å; Q372-G375 VanDerWaalsContact O-N 3.11Å; Q372-A376 PolarHBondContact O-N 3.21Å
373	V	74.1	Confident	71	Confident	9 Å²	9	70.4 Å²	70.4	6%	0.055	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-39.8	175.3	175.6	0	0	0	0	112.2	F360 T363 L364 N370 S371 G375 V377	F360-V373 HydrophobicContact CB-CG1 3.55Å; F360-V373 HydrophobicContact CD1-CB 4.31Å; F360-V373 HydrophobicContact CD1-CG1 3.58Å; F360-V373 HydrophobicContact CD1-CG2 4.18Å; F360-V373 HydrophobicContact CE1-CG1 4.49Å; F360-V373 HydrophobicContact CG-CG1 3.73Å; T363-V373 HydrophobicContact CG2-CG2 3.77Å; L364-V373 HydrophobicContact CD1-CG1 3.88Å; L364-V373 HydrophobicContact CD2-CB 4.05Å; L364-V373 HydrophobicContact CD2-CG1 3.87Å; L364-V373 HydrophobicContact CG-CB 4.36Å; L364-V373 HydrophobicContact CG-CG1 3.65Å; N370-V373 HydrophobicContact CB-CG2 4.4Å; N370-V373 PolarHBondContact OD1-N 2.97Å; S371-V373 PolarHBondContact O-N 2.93Å; V373-G375 VanDerWaalsContact C-N 3.28Å; V373-V377 WeakPolarHBondContact O-CB 3.38Å; V373-V377 WeakPolarHBondContact O-CG2 3.26Å; V373-V377 PolarHBondContact O-N 3.37Å; V373-V377 VanDerWaalsContact O-N 3.1Å
374	Y	78.1	Confident	71	Confident	3 Å²	3	70.6 Å²	70.6	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-74.5	-21.4	173.4	-63.6	-73.2	0	0	0	112.5	L364 N370 S371 A378 P390 C393 R394 F397	L364-Y374 HydrophobicContact CD1-CD1 4.45Å; L364-Y374 HydrophobicContact CD1-CE1 3.73Å; L364-Y374 HydrophobicContact CD1-CE2 4.38Å; L364-Y374 HydrophobicContact CD2-CD2 4.11Å; L364-Y374 HydrophobicContact CD2-CE1 4.27Å; L364-Y374 HydrophobicContact CD2-CE2 3.38Å; L364-Y374 VanDerWaalsContact CD2-CZ 3.49Å; N370-Y374 WeakPolarHBondContact O-CD2 3.43Å; S371-Y374 CarbonylContact O-C 3.55Å; S371-Y374 PolarHBondContact O-N 3.24Å; Y374-A378 WeakPolarHBondContact O-CB 3.47Å; Y374-A378 PolarHBondContact O-N 3.42Å; Y374-A378 VanDerWaalsContact O-N 3.14Å; Y374-P390 WeakPolarHBondContact O-CA 3.42Å; Y374-P390 WeakPolarHBondContact O-CB 3.46Å; Y374-C393 HydrophobicContact CD1-CB 4.19Å; Y374-R394 HydrophobicContact CD1-CB 3.77Å; Y374-R394 HydrophobicContact CD1-CG 4.37Å; Y374-R394 HydrophobicContact CD2-CB 4.02Å; Y374-R394 HydrophobicContact CD2-CG 3.94Å; Y374-R394 HydrophobicContact CE1-CB 3.84Å; Y374-R394 HydrophobicContact CE1-CG 4.09Å; Y374-R394 HydrophobicContact CE2-CB 4.12Å; Y374-R394 HydrophobicContact CE2-CG 3.66Å; Y374-R394 HydrophobicContact CG-CB 3.87Å; Y374-R394 HydrophobicContact CG-CG 4.3Å; Y374-F397 HydrophobicContact CE1-CB 4.26Å; Y374-F397 WeakPolarHBondContact OH-CD1 3.36Å
375	G	75.8	Confident	70.9	Confident	12 Å²	12	73.3 Å²	73.3	12%	0.124	39%	0.39	C	S	.	.	H	α-helix	trans	-61.7	-64.7	167.1	0	0	0	0	0	111.1	S371 Q372 V373 V377 A378 E379	S371-G375 PolarHBondContact O-N 2.86Å; Q372-G375 WeakPolarHBondContact O-CA 3.31Å; Q372-G375 PolarHBondContact O-N 2.87Å; Q372-G375 VanDerWaalsContact O-N 3.11Å; V373-G375 VanDerWaalsContact C-N 3.28Å; G375-V377 VanDerWaalsContact C-N 3.28Å; G375-V377 PolarHBondContact O-N 3.12Å; G375-A378 CarbonylContact O-C 3.59Å; G375-A378 WeakPolarHBondContact O-CA 3.31Å; G375-A378 WeakPolarHBondContact O-CB 3.49Å; G375-A378 PolarHBondContact O-N 2.91Å; G375-E379 PolarHBondContact O-N 3.25Å
376	A	76.6	Confident	71.4	Confident	26 Å²	26	70.2 Å²	70.2	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-39.2	179.8	0	0	0	0	0	113.1	F360 Q372 A378 E379 W380	F360-A376 HydrophobicContact CE1-CB 4Å; F360-A376 HydrophobicContact CE2-CB 4.29Å; F360-A376 HydrophobicContact CZ-CB 3.54Å; Q372-A376 PolarHBondContact O-N 3.21Å; A376-A378 VanDerWaalsContact C-N 3.33Å; A376-A378 PolarHBondContact O-N 3.24Å; A376-E379 WeakPolarHBondContact CA-OE2 3.28Å; A376-E379 PolarHBondContact O-N 3.46Å; A376-W380 WeakPolarHBondContact O-CB 3.36Å; A376-W380 PolarHBondContact O-N 3.37Å
377	V	77.1	Confident	71.5	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.8	-29.6	175.4	174.2	0	0	0	0	112.6	F351 I354 L355 F360 V373 G375 L381	F351-V377 HydrophobicContact CD2-CG1 3.72Å; F351-V377 HydrophobicContact CE2-CG1 3.57Å; I354-V377 HydrophobicContact CG2-CB 4.38Å; I354-V377 HydrophobicContact CG2-CG1 4.11Å; I354-V377 HydrophobicContact CG2-CG2 4.01Å; L355-V377 HydrophobicContact CD2-CG2 4.22Å; F360-V377 HydrophobicContact CB-CG2 4.27Å; F360-V377 HydrophobicContact CD2-CG2 3.35Å; F360-V377 HydrophobicContact CE2-CG2 3.78Å; F360-V377 HydrophobicContact CG-CG2 3.91Å; V373-V377 WeakPolarHBondContact O-CB 3.38Å; V373-V377 WeakPolarHBondContact O-CG2 3.26Å; V373-V377 PolarHBondContact O-N 3.37Å; V373-V377 VanDerWaalsContact O-N 3.1Å; G375-V377 VanDerWaalsContact C-N 3.28Å; G375-V377 PolarHBondContact O-N 3.12Å; V377-L381 WeakPolarHBondContact O-CB 3.45Å; V377-L381 WeakPolarHBondContact O-CG 3.2Å; V377-L381 PolarHBondContact O-N 2.84Å; V377-L381 VanDerWaalsContact O-N 3.12Å
378	A	78.7	Confident	72.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-78.1	-34.3	174.2	0	0	0	0	0	112.3	Y374 G375 A376 L381 R382 R388 P390	Y374-A378 WeakPolarHBondContact O-CB 3.47Å; Y374-A378 PolarHBondContact O-N 3.42Å; Y374-A378 VanDerWaalsContact O-N 3.14Å; G375-A378 CarbonylContact O-C 3.59Å; G375-A378 WeakPolarHBondContact O-CA 3.31Å; G375-A378 WeakPolarHBondContact O-CB 3.49Å; G375-A378 PolarHBondContact O-N 2.91Å; A376-A378 VanDerWaalsContact C-N 3.33Å; A376-A378 PolarHBondContact O-N 3.24Å; A378-L381 PolarHBondContact O-N 3.21Å; A378-R382 WeakPolarHBondContact O-CB 3.37Å; A378-R382 PolarHBondContact O-N 3.36Å; A378-R388 WeakPolarHBondContact CB-O 3.3Å; A378-P390 HydrophobicContact CB-CG 3.94Å
379	E	78.9	Confident	73.3	Confident	109 Å²	109	64.3 Å²	64.3	51%	0.509	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-48.6	172.1	-72.8	153.7	-176.1	0	0	110.8	G375 A376 L381 R382 E383	G375-E379 PolarHBondContact O-N 3.25Å; A376-E379 WeakPolarHBondContact CA-OE2 3.28Å; A376-E379 PolarHBondContact O-N 3.46Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 2.99Å; E379-R382 CarbonylContact O-C 3.33Å; E379-R382 WeakPolarHBondContact O-CA 3.44Å; E379-R382 WeakPolarHBondContact O-CB 3.41Å; E379-R382 PolarHBondContact O-N 3.27Å; E379-E383 PolarHBondContact O-N 3.01Å
380	W	75.9	Confident	74.1	Confident	125 Å²	125	55.8 Å²	55.8	47%	0.473	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-36.5	173.1	-109.1	57	0	0	0	113.8	I354 A376 R382 E383 C384	I354-W380 HydrophobicContact CD1-CB 4.15Å; I354-W380 HydrophobicContact CD1-CE3 4.23Å; I354-W380 HydrophobicContact CG1-CE3 3.77Å; I354-W380 HydrophobicContact CG1-CZ3 4.36Å; I354-W380 HydrophobicContact CG2-CB 4.23Å; I354-W380 HydrophobicContact CG2-CE3 4.27Å; A376-W380 WeakPolarHBondContact O-CB 3.36Å; A376-W380 PolarHBondContact O-N 3.37Å; W380-R382 VanDerWaalsContact C-N 3.3Å; W380-E383 PolarHBondContact O-N 2.89Å; W380-C384 PolarHBondContact O-N 2.82Å; W380-C384 PolarHBondContact O-SG 3.2Å
381	L	76.1	Confident	74.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-35.6	171.3	-83.1	176.8	0	0	0	111.7	W343 T350 F351 I354 V377 A378 E379 C384 G385 F386 R388	W343-L381 HydrophobicContact CH2-CD1 3.97Å; W343-L381 HydrophobicContact CZ3-CD1 4.04Å; T350-L381 HydrophobicContact CG2-CD2 4.07Å; F351-L381 HydrophobicContact CB-CD1 4.41Å; F351-L381 HydrophobicContact CD2-CD1 3.89Å; I354-L381 HydrophobicContact CD1-CD2 3.71Å; I354-L381 HydrophobicContact CD1-CG 3.79Å; V377-L381 WeakPolarHBondContact O-CB 3.45Å; V377-L381 WeakPolarHBondContact O-CG 3.2Å; V377-L381 PolarHBondContact O-N 2.84Å; V377-L381 VanDerWaalsContact O-N 3.12Å; A378-L381 PolarHBondContact O-N 3.21Å; E379-L381 VanDerWaalsContact C-N 3.33Å; E379-L381 PolarHBondContact O-N 2.99Å; L381-C384 CarbonylContact O-C 3.52Å; L381-C384 WeakPolarHBondContact O-CA 3.49Å; L381-C384 WeakPolarHBondContact O-CB 3.41Å; L381-C384 PolarHBondContact O-N 3.05Å; L381-G385 PolarHBondContact O-N 2.99Å; L381-F386 CarbonylContact C-O 3.56Å; L381-F386 HydrophobicContact CB-CB 4.31Å; L381-F386 HydrophobicContact CD2-CB 4.28Å; L381-F386 HydrophobicContact CD2-CD2 4.01Å; L381-F386 CarbonylContact O-C 3.53Å; L381-F386 WeakPolarHBondContact O-CA 3.49Å; L381-F386 WeakPolarHBondContact O-CB 3.33Å; L381-F386 PolarHBondContact O-N 3.45Å; L381-R388 HydrophobicContact CD1-CB 4.25Å; L381-R388 HydrophobicContact CD1-CG 4.43Å
382	R	76.9	Confident	75	Confident	145 Å²	145	57.2 Å²	57.2	55%	0.547	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-44.1	174.8	-155.6	-170.3	-58.6	-132.4	5.9	111.7	A378 E379 W380 C384 G385 L387	A378-R382 WeakPolarHBondContact O-CB 3.37Å; A378-R382 PolarHBondContact O-N 3.36Å; E379-R382 CarbonylContact O-C 3.33Å; E379-R382 WeakPolarHBondContact O-CA 3.44Å; E379-R382 WeakPolarHBondContact O-CB 3.41Å; E379-R382 PolarHBondContact O-N 3.27Å; W380-R382 VanDerWaalsContact C-N 3.3Å; R382-C384 PolarHBondContact O-N 3.31Å; R382-G385 PolarHBondContact O-N 3.21Å; R382-L387 HydrophobicContact CG-CD2 3.64Å
383	E	71.8	Confident	75.3	Confident	146 Å²	146	49.9 Å²	49.9	68%	0.682	26%	0.258	S	S	*	.	H	α-helix	trans	-59.1	-33.4	172	-68.2	170.8	-176.9	0	0	111.7	E379 W380 G385	E379-E383 PolarHBondContact O-N 3.01Å; W380-E383 PolarHBondContact O-N 2.89Å; E383-G385 PolarHBondContact O-N 3.38Å
384	C	67.3	Low	75.5	Confident	57 Å²	57	53 Å²	53	39%	0.385	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	10.8	172	-62.4	0	0	0	0	114.6	T350 W380 L381 R382 F386	T350-C384 HydrophobicContact CG2-CB 4.33Å; W380-C384 PolarHBondContact O-N 2.82Å; W380-C384 PolarHBondContact O-SG 3.2Å; L381-C384 CarbonylContact O-C 3.52Å; L381-C384 WeakPolarHBondContact O-CA 3.49Å; L381-C384 WeakPolarHBondContact O-CB 3.41Å; L381-C384 PolarHBondContact O-N 3.05Å; R382-C384 PolarHBondContact O-N 3.31Å; C384-F386 VanDerWaalsContact C-N 3.32Å; C384-F386 HydrophobicContact CB-CD2 3.85Å; C384-F386 HydrophobicContact CB-CE2 4.22Å; C384-F386 WeakPolarHBondContact O-CD2 3.43Å; C384-F386 PolarHBondContact O-N 3.16Å
385	G	66.1	Low	75.5	Confident	60 Å²	60	57 Å²	57	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	11.8	-178.4	0	0	0	0	0	115.3	L381 R382 E383	L381-G385 PolarHBondContact O-N 2.99Å; R382-G385 PolarHBondContact O-N 3.21Å; E383-G385 PolarHBondContact O-N 3.38Å
386	F	74.1	Confident	75.7	Confident	56 Å²	56	57.8 Å²	57.8	25%	0.246	29%	0.293	C	S	.	.			trans	-109.2	90.1	-179.2	-58	-55.5	0	0	0	111.4	E347 T350 L381 C384 R388	E347-F386 HydrophobicContact CG-CB 4.47Å; E347-F386 HydrophobicContact CG-CD1 3.45Å; E347-F386 VanDerWaalsContact CG-CD1 3.45Å; E347-F386 HydrophobicContact CG-CD2 4.43Å; E347-F386 HydrophobicContact CG-CE1 3.64Å; E347-F386 HydrophobicContact CG-CG 3.87Å; E347-F386 HydrophobicContact CG-CZ 4.22Å; T350-F386 HydrophobicContact CG2-CE2 4.35Å; L381-F386 CarbonylContact C-O 3.56Å; L381-F386 HydrophobicContact CB-CB 4.31Å; L381-F386 HydrophobicContact CD2-CB 4.28Å; L381-F386 HydrophobicContact CD2-CD2 4.01Å; L381-F386 CarbonylContact O-C 3.53Å; L381-F386 WeakPolarHBondContact O-CA 3.49Å; L381-F386 WeakPolarHBondContact O-CB 3.33Å; L381-F386 PolarHBondContact O-N 3.45Å; C384-F386 VanDerWaalsContact C-N 3.32Å; C384-F386 HydrophobicContact CB-CD2 3.85Å; C384-F386 HydrophobicContact CB-CE2 4.22Å; C384-F386 WeakPolarHBondContact O-CD2 3.43Å; C384-F386 PolarHBondContact O-N 3.16Å; F386-R388 HydrophobicContact CB-CG 4.41Å; F386-R388 PolarHBondContact O-N 2.77Å
387	L	66.4	Low	75.8	Confident	48 Å²	48	57.2 Å²	57.2	25%	0.251	29%	0.286	S	S	.	.			trans	-64	90.9	179.2	-56.5	179.3	0	0	0	112	D335 I338 R382	D335-L387 HydrophobicContact CB-CD1 3.86Å; D335-L387 WeakPolarHBondContact OD1-CD1 3.2Å; D335-L387 WeakPolarHBondContact OD2-CD1 3.09Å; I338-L387 HydrophobicContact CD1-CB 3.9Å; I338-L387 HydrophobicContact CG1-CB 3.72Å; I338-L387 HydrophobicContact CG1-CD1 4.32Å; R382-L387 HydrophobicContact CG-CD2 3.64Å
388	R	77.4	Confident	75.8	Confident	17 Å²	17	62.1 Å²	62.1	6%	0.064	31%	0.308	C	S	.	.			trans	-132.1	138.3	-175.5	-64.2	-60.3	-172.6	167.3	-0.4	110.9	G340 H342 W343 E347 A378 L381 F386	G340-R388 PolarHBondContact O-NH1 2.94Å; G340-R388 PolarHBondContact O-NH2 3.49Å; H342-R388 PolarHBondContact O-NH2 3.39Å; W343-R388 HydrophobicContact CH2-CG 4.26Å; W343-R388 HydrophobicContact CZ2-CG 4.49Å; E347-R388 IonicContact OE1-CZ 2.81Å; E347-R388 IonicContact OE1-NE 3.17Å; E347-R388 PolarHBondContact OE1-NE 3.44Å; E347-R388 IonicContact OE1-NH2 3.42Å; E347-R388 PolarHBondContact OE1-NH2 3.16Å; E347-R388 IonicContact OE2-CZ 3.84Å; E347-R388 IonicContact OE2-NH2 3.98Å; E347-R388 PolarHBondContact OE2-NH2 3.25Å; A378-R388 WeakPolarHBondContact CB-O 3.3Å; L381-R388 HydrophobicContact CD1-CB 4.25Å; L381-R388 HydrophobicContact CD1-CG 4.43Å; F386-R388 HydrophobicContact CB-CG 4.41Å; F386-R388 PolarHBondContact O-N 2.77Å
389	T	79.4	Confident	75.7	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.264	33%	0.333	S	S	.	.			trans	-84.2	161.1	178.2	92.9	0	0	0	0	112.6	I338 E391 Q392 C393	I338-T389 HydrophobicContact CG2-CG2 4.45Å; T389-E391 PolarHBondContact O-N 3.02Å; T389-E391 PolarHBondContact OG1-N 3.25Å; T389-E391 PolarHBondContact OG1-OE2 3.38Å; T389-Q392 HydrophobicContact CG2-CG 4.34Å; T389-Q392 WeakPolarHBondContact O-CB 3.31Å; T389-Q392 PolarHBondContact O-N 3.44Å; T389-Q392 PolarHBondContact OG1-N 2.85Å; T389-C393 PolarHBondContact O-N 2.91Å; T389-C393 PolarHBondContact O-SG 3.41Å
390	P	77.2	Confident	75.4	Confident	36 Å²	36	61 Å²	61	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-55	-35.1	173.3	-27.6	37.8	0	0	0	113.4	Y374 A378 C393 R394	Y374-P390 WeakPolarHBondContact O-CA 3.42Å; Y374-P390 WeakPolarHBondContact O-CB 3.46Å; A378-P390 HydrophobicContact CB-CG 3.94Å; P390-C393 WeakPolarHBondContact O-CB 3.26Å; P390-C393 PolarHBondContact O-N 3.01Å; P390-R394 WeakPolarHBondContact O-CB 3.11Å; P390-R394 PolarHBondContact O-N 3.4Å
391	E	75.8	Confident	75.2	Confident	112 Å²	112	57.3 Å²	57.3	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-70.9	-37.8	177.9	-63.2	58	-122.5	0	0	110.9	T389 R394 T395	T389-E391 PolarHBondContact O-N 3.02Å; T389-E391 PolarHBondContact OG1-N 3.25Å; T389-E391 PolarHBondContact OG1-OE2 3.38Å; E391-R394 PolarHBondContact O-N 3.06Å; E391-T395 WeakPolarHBondContact O-CB 3.45Å; E391-T395 VanDerWaalsContact O-CG2 3.29Å; E391-T395 WeakPolarHBondContact O-CG2 3.19Å; E391-T395 PolarHBondContact O-N 2.74Å; E391-T395 PolarHBondContact O-OG1 3.18Å
392	Q	79.4	Confident	74.9	Confident	43 Å²	43	63.9 Å²	63.9	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-46	173.4	-61.2	-170.7	24	0	0	110.1	W343 T389 R394 T395 K396	W343-Q392 HydrophobicContact CZ2-CB 4.28Å; T389-Q392 HydrophobicContact CG2-CG 4.34Å; T389-Q392 WeakPolarHBondContact O-CB 3.31Å; T389-Q392 PolarHBondContact O-N 3.44Å; T389-Q392 PolarHBondContact OG1-N 2.85Å; Q392-R394 PolarHBondContact O-N 3.48Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.42Å; Q392-T395 PolarHBondContact O-N 2.77Å; Q392-T395 PolarHBondContact O-OG1 2.92Å; Q392-T395 VanDerWaalsContact O-OG1 3.08Å; Q392-K396 WeakPolarHBondContact O-CB 3.36Å; Q392-K396 PolarHBondContact O-N 2.61Å
393	C	77.6	Confident	74.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-47.4	173.8	-64.6	0	0	0	0	112.1	F351 Y374 T389 P390 T395 K396 F397	F351-C393 HydrophobicContact CE2-CB 3.71Å; F351-C393 HydrophobicContact CZ-CB 4.27Å; F351-C393 VanDerWaalsContact CZ-O 3.28Å; F351-C393 WeakPolarHBondContact CZ-O 3.33Å; Y374-C393 HydrophobicContact CD1-CB 4.19Å; T389-C393 PolarHBondContact O-N 2.91Å; T389-C393 PolarHBondContact O-SG 3.41Å; P390-C393 WeakPolarHBondContact O-CB 3.26Å; P390-C393 PolarHBondContact O-N 3.01Å; C393-T395 PolarHBondContact O-N 3.33Å; C393-K396 WeakPolarHBondContact O-CB 3.41Å; C393-K396 PolarHBondContact O-N 2.91Å; C393-F397 PolarHBondContact O-N 3.48Å
394	R	78.4	Confident	74	Confident	73 Å²	73	53.4 Å²	53.4	28%	0.275	29%	0.289	S	S	.	.	H	α-helix	trans	-67.6	-35.2	179.8	-172	174.7	-171.6	-154.9	10.1	113.5	R369 Y374 P390 E391 Q392 K398	R369-R394 PolarHBondContact O-NH2 2.79Å; Y374-R394 HydrophobicContact CD1-CB 3.77Å; Y374-R394 HydrophobicContact CD1-CG 4.37Å; Y374-R394 HydrophobicContact CD2-CB 4.02Å; Y374-R394 HydrophobicContact CD2-CG 3.94Å; Y374-R394 HydrophobicContact CE1-CB 3.84Å; Y374-R394 HydrophobicContact CE1-CG 4.09Å; Y374-R394 HydrophobicContact CE2-CB 4.12Å; Y374-R394 HydrophobicContact CE2-CG 3.66Å; Y374-R394 HydrophobicContact CG-CB 3.87Å; Y374-R394 HydrophobicContact CG-CG 4.3Å; P390-R394 WeakPolarHBondContact O-CB 3.11Å; P390-R394 PolarHBondContact O-N 3.4Å; E391-R394 PolarHBondContact O-N 3.06Å; Q392-R394 PolarHBondContact O-N 3.48Å; R394-K398 WeakPolarHBondContact O-CD 3.28Å; R394-K398 VanDerWaalsContact O-CG 3.27Å; R394-K398 WeakPolarHBondContact O-CG 3.37Å; R394-K398 PolarHBondContact O-N 2.69Å
395	T	77.9	Confident	74.1	Confident	89 Å²	89	57.5 Å²	57.5	55%	0.546	30%	0.296	S	S	.	.	H	α-helix	trans	-77.3	-35.6	175.4	52.3	0	0	0	0	111.9	E391 Q392 C393 S399	E391-T395 WeakPolarHBondContact O-CB 3.45Å; E391-T395 VanDerWaalsContact O-CG2 3.29Å; E391-T395 WeakPolarHBondContact O-CG2 3.19Å; E391-T395 PolarHBondContact O-N 2.74Å; E391-T395 PolarHBondContact O-OG1 3.18Å; Q392-T395 WeakPolarHBondContact CA-OG1 3.42Å; Q392-T395 PolarHBondContact O-N 2.77Å; Q392-T395 PolarHBondContact O-OG1 2.92Å; Q392-T395 VanDerWaalsContact O-OG1 3.08Å; C393-T395 PolarHBondContact O-N 3.33Å; T395-S399 WeakPolarHBondContact O-CB 3.42Å; T395-S399 PolarHBondContact O-N 2.86Å
396	K	79.9	Confident	74	Confident	27 Å²	27	61.5 Å²	61.5	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-56.1	-59.1	168.2	179.2	67	165.4	-167.9	0	110.7	W343 T348 F351 Q392 C393 K398 S399 L400	W343-K396 HydrophobicContact CD2-CB 4.5Å; W343-K396 HydrophobicContact CD2-CD 3.6Å; W343-K396 HydrophobicContact CD2-CG 3.96Å; W343-K396 HydrophobicContact CE3-CD 4.04Å; W343-K396 HydrophobicContact CE3-CG 4.09Å; W343-K396 HydrophobicContact CG-CD 3.86Å; W343-K396 VanDerWaalsContact CG-NZ 3.32Å; W343-K396 HydrophobicContact CH2-CB 4.1Å; W343-K396 HydrophobicContact CH2-CG 3.98Å; W343-K396 HydrophobicContact CZ2-CB 3.6Å; W343-K396 HydrophobicContact CZ2-CD 4.28Å; W343-K396 HydrophobicContact CZ2-CG 3.8Å; W343-K396 HydrophobicContact CZ3-CG 4.12Å; T348-K396 PolarHBondContact OG1-NZ 3.4Å; F351-K396 HydrophobicContact CD1-CG 3.8Å; F351-K396 HydrophobicContact CE1-CB 4.2Å; F351-K396 HydrophobicContact CE1-CG 3.66Å; F351-K396 HydrophobicContact CZ-CB 4.49Å; F351-K396 HydrophobicContact CZ-CG 4.38Å; Q392-K396 WeakPolarHBondContact O-CB 3.36Å; Q392-K396 PolarHBondContact O-N 2.61Å; C393-K396 WeakPolarHBondContact O-CB 3.41Å; C393-K396 PolarHBondContact O-N 2.91Å; K396-K398 VanDerWaalsContact C-N 3.34Å; K396-K398 PolarHBondContact O-N 2.84Å; K396-S399 CarbonylContact O-C 3.43Å; K396-S399 WeakPolarHBondContact O-CA 3.4Å; K396-S399 VanDerWaalsContact O-CB 3.31Å; K396-S399 WeakPolarHBondContact O-CB 3.48Å; K396-S399 PolarHBondContact O-N 3.47Å; K396-L400 HydrophobicContact CD-CD1 4.25Å; K396-L400 HydrophobicContact CD-CD2 4.33Å; K396-L400 HydrophobicContact CD-CG 4.16Å; K396-L400 HydrophobicContact CG-CD1 4.09Å; K396-L400 HydrophobicContact CG-CG 4.3Å; K396-L400 WeakPolarHBondContact O-CG 3.36Å; K396-L400 PolarHBondContact O-N 2.93Å
397	F	79.5	Confident	73.1	Confident	15 Å²	15	62.3 Å²	62.3	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-51.1	-48.8	178.6	-174.9	-111.3	0	0	0	112.9	F351 L355 Y361 Y374 C393 S399 L400 Q401	F351-F397 HydrophobicContact CE1-CB 4.22Å; F351-F397 HydrophobicContact CZ-CB 4.05Å; L355-F397 HydrophobicContact CD1-CD2 3.8Å; L355-F397 HydrophobicContact CD1-CE2 4.13Å; Y361-F397 HydrophobicContact CD2-CE2 4.05Å; Y361-F397 HydrophobicContact CD2-CZ 4.13Å; Y361-F397 HydrophobicContact CE2-CE2 4.1Å; Y361-F397 AromaticContact CE2-CZ 3.93Å; Y361-F397 HydrophobicContact CE2-CZ 3.93Å; Y374-F397 HydrophobicContact CE1-CB 4.26Å; Y374-F397 WeakPolarHBondContact OH-CD1 3.36Å; C393-F397 PolarHBondContact O-N 3.48Å; F397-S399 VanDerWaalsContact C-N 3.32Å; F397-S399 PolarHBondContact O-N 3.18Å; F397-L400 PolarHBondContact O-N 2.97Å; F397-Q401 WeakPolarHBondContact O-CB 3.49Å; F397-Q401 PolarHBondContact O-N 3.5Å
398	K	76.4	Confident	72.8	Confident	103 Å²	103	66.1 Å²	66.1	45%	0.448	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-35	176	-72.5	171.2	-176.6	174.3	0	113.3	R394 K396 K402	R394-K398 WeakPolarHBondContact O-CD 3.28Å; R394-K398 VanDerWaalsContact O-CG 3.27Å; R394-K398 WeakPolarHBondContact O-CG 3.37Å; R394-K398 PolarHBondContact O-N 2.69Å; K396-K398 VanDerWaalsContact C-N 3.34Å; K396-K398 PolarHBondContact O-N 2.84Å; K398-K402 VanDerWaalsContact O-CB 3.22Å; K398-K402 WeakPolarHBondContact O-CB 3.29Å; K398-K402 PolarHBondContact O-N 3.23Å
399	S	76.6	Confident	72	Confident	77 Å²	77	68.5 Å²	68.5	54%	0.538	33%	0.331	S	S	.	.	H	α-helix	trans	-69.5	-44.9	175.2	-167.5	0	0	0	0	111.4	T395 K396 F397 K402 S403	T395-S399 WeakPolarHBondContact O-CB 3.42Å; T395-S399 PolarHBondContact O-N 2.86Å; K396-S399 CarbonylContact O-C 3.43Å; K396-S399 WeakPolarHBondContact O-CA 3.4Å; K396-S399 VanDerWaalsContact O-CB 3.31Å; K396-S399 WeakPolarHBondContact O-CB 3.48Å; K396-S399 PolarHBondContact O-N 3.47Å; F397-S399 VanDerWaalsContact C-N 3.32Å; F397-S399 PolarHBondContact O-N 3.18Å; S399-K402 CarbonylContact O-C 3.58Å; S399-K402 PolarHBondContact O-N 2.88Å; S399-S403 PolarHBondContact O-N 3.29Å
400	L	73.1	Confident	70.4	Confident	10 Å²	10	68.7 Å²	68.7	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-51.6	178.1	-64.4	-174.9	0	0	0	111.9	F351 L352 K396 F397 K402 S403 Y404 F418 M422	F351-L400 HydrophobicContact CD1-CD1 4.21Å; F351-L400 HydrophobicContact CE1-CD1 4.2Å; L352-L400 HydrophobicContact CD1-CD1 4.49Å; L352-L400 HydrophobicContact CD2-CD1 3.89Å; L352-L400 HydrophobicContact CG-CD1 4.41Å; K396-L400 HydrophobicContact CD-CD1 4.25Å; K396-L400 HydrophobicContact CD-CD2 4.33Å; K396-L400 HydrophobicContact CD-CG 4.16Å; K396-L400 HydrophobicContact CG-CD1 4.09Å; K396-L400 HydrophobicContact CG-CG 4.3Å; K396-L400 WeakPolarHBondContact O-CG 3.36Å; K396-L400 PolarHBondContact O-N 2.93Å; F397-L400 PolarHBondContact O-N 2.97Å; L400-K402 PolarHBondContact O-N 3.33Å; L400-S403 WeakPolarHBondContact O-CA 3.45Å; L400-S403 WeakPolarHBondContact O-CB 3.41Å; L400-S403 PolarHBondContact O-N 3.38Å; L400-Y404 PolarHBondContact O-N 2.95Å; L400-F418 HydrophobicContact CD2-CE2 3.48Å; L400-F418 VanDerWaalsContact CD2-CE2 3.48Å; L400-F418 HydrophobicContact CD2-CZ 3.49Å; L400-F418 VanDerWaalsContact CD2-CZ 3.49Å; L400-M422 HydrophobicContact CB-CE 3.79Å; L400-M422 HydrophobicContact CB-SD 3.66Å; L400-M422 HydrophobicContact CD1-SD 3.77Å; L400-M422 HydrophobicContact CG-SD 4.25Å
401	Q	72.6	Confident	68.7	Low	46 Å²	46	74.6 Å²	74.6	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-59.3	-31.5	176	-166.4	-172.6	77.6	0	0	112.3	F397 R405 L426	F397-Q401 WeakPolarHBondContact O-CB 3.49Å; F397-Q401 PolarHBondContact O-N 3.5Å; Q401-R405 WeakPolarHBondContact O-CB 3.43Å; Q401-R405 VanDerWaalsContact O-CG 3.29Å; Q401-R405 WeakPolarHBondContact O-CG 3.37Å; Q401-R405 PolarHBondContact O-N 3.5Å; Q401-R405 VanDerWaalsContact OE1-CZ 3.31Å; Q401-L426 HydrophobicContact CB-CD1 4.49Å; Q401-L426 HydrophobicContact CG-CD1 4.14Å; Q401-L426 HydrophobicContact CG-CD2 3.99Å
402	K	69.7	Low	66.9	Low	138 Å²	138	77.5 Å²	77.5	60%	0.6	38%	0.381	S	S	*	.	H	α-helix	trans	-79.6	-24.3	175	-172.8	173.1	-175.6	173.3	0	113.7	K398 S399 L400 K406	K398-K402 VanDerWaalsContact O-CB 3.22Å; K398-K402 WeakPolarHBondContact O-CB 3.29Å; K398-K402 PolarHBondContact O-N 3.23Å; S399-K402 CarbonylContact O-C 3.58Å; S399-K402 PolarHBondContact O-N 2.88Å; L400-K402 PolarHBondContact O-N 3.33Å; K402-K406 WeakPolarHBondContact O-CG 3.18Å
403	S	64.2	Low	64.9	Low	46 Å²	46	83.7 Å²	83.7	32%	0.322	41%	0.414	S	S	.	.	H	α-helix	trans	-74.6	-52.1	172.1	-161.1	0	0	0	0	110.1	S399 L400 R405 K406 V407	S399-S403 PolarHBondContact O-N 3.29Å; L400-S403 WeakPolarHBondContact O-CA 3.45Å; L400-S403 WeakPolarHBondContact O-CB 3.41Å; L400-S403 PolarHBondContact O-N 3.38Å; S403-R405 PolarHBondContact O-N 3.33Å; S403-K406 WeakPolarHBondContact O-CA 3.19Å; S403-K406 WeakPolarHBondContact O-CB 3.35Å; S403-K406 PolarHBondContact O-N 3.02Å; S403-V407 PolarHBondContact O-N 3.06Å; S403-V407 VanDerWaalsContact O-N 3.09Å
404	Y	65.9	Low	63.2	Low	25 Å²	25	88.8 Å²	88.8	10%	0.098	44%	0.438	C	S	.	.	H	α-helix	trans	-50.2	-52.9	174.7	172.1	-94	0	0	0	112.5	L400 K406 V407 R408 D423 L426	L400-Y404 PolarHBondContact O-N 2.95Å; Y404-K406 PolarHBondContact O-N 3.17Å; Y404-V407 PolarHBondContact O-N 2.99Å; Y404-V407 VanDerWaalsContact O-N 3.12Å; Y404-R408 WeakPolarHBondContact O-CB 3.4Å; Y404-R408 PolarHBondContact O-N 3.35Å; Y404-R408 WeakPolarHBondContact OH-CD 3.39Å; Y404-R408 PolarHBondContact OH-NH1 3.4Å; Y404-D423 HydrophobicContact CE2-CB 3.79Å; Y404-D423 WeakPolarHBondContact CE2-OD1 3.47Å; Y404-D423 PolarHBondContact OH-OD1 3.37Å; Y404-L426 HydrophobicContact CD1-CD1 3.36Å; Y404-L426 HydrophobicContact CD2-CD1 4.09Å; Y404-L426 HydrophobicContact CE1-CB 4.25Å; Y404-L426 HydrophobicContact CE1-CD1 3.89Å; Y404-L426 HydrophobicContact CG-CD1 3.47Å; Y404-L426 VanDerWaalsContact CG-CD1 3.47Å
405	R	68.4	Low	61.5	Low	144 Å²	144	89.6 Å²	89.6	54%	0.543	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-12.5	177.4	-74.6	178.7	-179.2	140.2	3.7	115.1	Q401 S403 N409	Q401-R405 WeakPolarHBondContact O-CB 3.43Å; Q401-R405 VanDerWaalsContact O-CG 3.29Å; Q401-R405 WeakPolarHBondContact O-CG 3.37Å; Q401-R405 PolarHBondContact O-N 3.5Å; Q401-R405 VanDerWaalsContact OE1-CZ 3.31Å; S403-R405 PolarHBondContact O-N 3.33Å; R405-N409 VanDerWaalsContact O-CG 3.3Å; R405-N409 PolarHBondContact O-OD1 3.02Å
406	K	63.5	Low	60	Low	144 Å²	144	88.1 Å²	88.1	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-90.9	-42.5	171.5	-75.4	173.2	169.5	-170.6	0	111.9	K402 S403 Y404 N409 G410	K402-K406 WeakPolarHBondContact O-CG 3.18Å; S403-K406 WeakPolarHBondContact O-CA 3.19Å; S403-K406 WeakPolarHBondContact O-CB 3.35Å; S403-K406 PolarHBondContact O-N 3.02Å; Y404-K406 PolarHBondContact O-N 3.17Å; K406-N409 CarbonylContact O-C 3.55Å; K406-N409 PolarHBondContact O-N 3.23Å; K406-G410 PolarHBondContact O-N 2.92Å
407	V	55.7	Low	58.6	Low	72 Å²	72	87.9 Å²	87.9	44%	0.436	45%	0.449	S	S	.	.	H	α-helix	trans	-67.6	-44.1	180	178.5	0	0	0	0	110.6	S403 Y404 N409 G410 F419	S403-V407 PolarHBondContact O-N 3.06Å; S403-V407 VanDerWaalsContact O-N 3.09Å; Y404-V407 PolarHBondContact O-N 2.99Å; Y404-V407 VanDerWaalsContact O-N 3.12Å; V407-N409 PolarHBondContact O-N 3.48Å; V407-N409 VanDerWaalsContact O-N 3.14Å; V407-G410 CarbonylContact O-C 3.44Å; V407-G410 PolarHBondContact O-N 2.86Å; V407-G410 VanDerWaalsContact O-N 3.07Å; V407-F419 HydrophobicContact CG2-CE1 4.14Å; V407-F419 HydrophobicContact CG2-CZ 4.49Å
408	R	60.2	Low	57.5	Low	128 Å²	128	89.1 Å²	89.1	48%	0.483	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.4	174	-177.1	167.1	171.7	175.5	-1.4	113.7	Y404 N427	Y404-R408 WeakPolarHBondContact O-CB 3.4Å; Y404-R408 PolarHBondContact O-N 3.35Å; Y404-R408 WeakPolarHBondContact OH-CD 3.39Å; Y404-R408 PolarHBondContact OH-NH1 3.4Å; R408-N427 PolarHBondContact NH1-ND2 3.47Å
409	N	61.3	Low	56.7	Low	68 Å²	68	87.6 Å²	87.6	36%	0.364	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	23.4	177.5	-67.8	32.6	0	0	0	112.1	R405 K406 V407	R405-N409 VanDerWaalsContact O-CG 3.3Å; R405-N409 PolarHBondContact O-OD1 3.02Å; K406-N409 CarbonylContact O-C 3.55Å; K406-N409 PolarHBondContact O-N 3.23Å; V407-N409 PolarHBondContact O-N 3.48Å; V407-N409 VanDerWaalsContact O-N 3.14Å
410	G	45.7	Very low	55.9	Low	46 Å²	46	89.1 Å²	89.1	47%	0.474	45%	0.446	S	S	.	.	S	Bend	trans	-179.4	83.5	-179.5	0	0	0	0	0	113.4	K406 V407	K406-G410 PolarHBondContact O-N 2.92Å; V407-G410 CarbonylContact O-C 3.44Å; V407-G410 PolarHBondContact O-N 2.86Å; V407-G410 VanDerWaalsContact O-N 3.07Å
411	H	41.8	Very low	55.3	Low	161 Å²	161	90.9 Å²	90.9	75%	0.745	46%	0.456	S	S	*	.			trans	-70.6	156.1	173.9	-55.8	-90.8	0	0	0	111.7
412	M	37.6	Very low	54.8	Low	173 Å²	173	88.9 Å²	88.9	85%	0.852	45%	0.447	S	S	*	.			cis	-131.2	148.6	1.4	-73.5	-173.8	-77.4	0	0	111.5
413	L	37.8	Very low	54.5	Low	172 Å²	172	85.2 Å²	85.2	90%	0.901	43%	0.433	S	S	*	.			trans	-138.6	160.7	145.3	-75.3	178.1	0	0	0	107.3
414	E	40.8	Very low	54.6	Low	108 Å²	108	84.8 Å²	84.8	51%	0.505	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-68.4	155.8	178.7	-89	-179.5	151.3	0	0	112.8	C416 K559 K563	E414-C416 PolarHBondContact O-N 3.44Å; E414-K559 WeakPolarHBondContact OE1-CE 3.5Å; E414-K559 IonicContact OE1-NZ 3.27Å; E414-K559 PolarHBondContact OE1-NZ 2.65Å; E414-K563 IonicContact OE1-NZ 3.08Å; E414-K563 PolarHBondContact OE1-NZ 3.12Å; E414-K563 IonicContact OE2-NZ 3.9Å; E414-K563 PolarHBondContact OE2-NZ 3.09Å
415	P	42.2	Very low	54.5	Low	90 Å²	90	84.2 Å²	84.2	58%	0.584	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-66.1	131.3	-174.7	-17.9	31.4	0	0	0	112.1	E420	P415-E420 HydrophobicContact CB-CG 4.07Å; P415-E420 WeakPolarHBondContact CB-OE1 3.33Å
416	C	48	Very low	54.2	Low	57 Å²	57	78.6 Å²	78.6	39%	0.385	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-98.2	135.9	153.1	175.9	0	0	0	0	106.5	E414 F418 F419	E414-C416 PolarHBondContact O-N 3.44Å; C416-F418 PolarHBondContact O-N 3.09Å; C416-F419 HydrophobicContact CB-CD2 4.06Å; C416-F419 HydrophobicContact CB-CE2 4.46Å; C416-F419 WeakPolarHBondContact O-CB 3.48Å; C416-F419 PolarHBondContact O-N 3.12Å
417	A	50.3	Low	54	Low	23 Å²	23	74 Å²	74	19%	0.19	40%	0.395	C	S	.	.	H	α-helix	trans	-52.2	-31.4	-174.4	0	0	0	0	0	113.5	F419 E420 D421 V498	A417-F419 PolarHBondContact O-N 2.99Å; A417-F419 VanDerWaalsContact O-N 3.13Å; A417-E420 WeakPolarHBondContact O-CA 3.33Å; A417-E420 WeakPolarHBondContact O-CB 3.3Å; A417-E420 PolarHBondContact O-N 2.87Å; A417-D421 PolarHBondContact O-N 2.88Å; A417-V498 HydrophobicContact CB-CG1 4.16Å; A417-V498 HydrophobicContact CB-CG2 4.39Å
418	F	56.1	Low	54	Low	40 Å²	40	74 Å²	74	18%	0.175	40%	0.396	C	S	.	.	H	α-helix	trans	-53	-30.1	171.3	156.8	-106.9	0	0	0	114.7	Y345 T348 L352 L400 C416 M422	Y345-F418 HydrophobicContact CE2-CB 3.92Å; T348-F418 HydrophobicContact CG2-CD2 3.56Å; T348-F418 HydrophobicContact CG2-CE2 3.38Å; T348-F418 HydrophobicContact CG2-CZ 4.47Å; L352-F418 HydrophobicContact CD1-CD2 4.17Å; L352-F418 HydrophobicContact CD1-CE2 4.44Å; L400-F418 HydrophobicContact CD2-CE2 3.48Å; L400-F418 VanDerWaalsContact CD2-CE2 3.48Å; L400-F418 HydrophobicContact CD2-CZ 3.49Å; L400-F418 VanDerWaalsContact CD2-CZ 3.49Å; C416-F418 PolarHBondContact O-N 3.09Å; F418-M422 HydrophobicContact CE2-CG 4.32Å; F418-M422 WeakPolarHBondContact O-CB 3.46Å; F418-M422 WeakPolarHBondContact O-CG 3.39Å; F418-M422 PolarHBondContact O-N 2.98Å
419	F	59.4	Low	53.2	Low	72 Å²	72	71.8 Å²	71.8	32%	0.316	41%	0.405	S	S	.	.	H	α-helix	trans	-83.6	-27.3	173.4	-68	-67	0	0	0	113	V407 C416 A417 D423	V407-F419 HydrophobicContact CG2-CE1 4.14Å; V407-F419 HydrophobicContact CG2-CZ 4.49Å; C416-F419 HydrophobicContact CB-CD2 4.06Å; C416-F419 HydrophobicContact CB-CE2 4.46Å; C416-F419 WeakPolarHBondContact O-CB 3.48Å; C416-F419 PolarHBondContact O-N 3.12Å; A417-F419 PolarHBondContact O-N 2.99Å; A417-F419 VanDerWaalsContact O-N 3.13Å; F419-D423 PolarHBondContact O-N 3.42Å
420	E	59.9	Low	52.6	Low	108 Å²	108	71.3 Å²	71.3	51%	0.505	41%	0.41	S	S	.	.	H	α-helix	trans	-75.6	-44.4	177.8	-60.1	178	146.4	0	0	110.3	P415 A417 M422 D423 A424	P415-E420 HydrophobicContact CB-CG 4.07Å; P415-E420 WeakPolarHBondContact CB-OE1 3.33Å; A417-E420 WeakPolarHBondContact O-CA 3.33Å; A417-E420 WeakPolarHBondContact O-CB 3.3Å; A417-E420 PolarHBondContact O-N 2.87Å; E420-M422 PolarHBondContact O-N 3.07Å; E420-D423 PolarHBondContact O-N 3.03Å; E420-D423 VanDerWaalsContact O-N 3.14Å; E420-A424 WeakPolarHBondContact O-CB 3.32Å; E420-A424 PolarHBondContact O-N 3.38Å
421	D	60.7	Low	52.7	Low	48 Å²	48	75.1 Å²	75.1	26%	0.257	42%	0.416	S	S	.	.	H	α-helix	trans	-55.7	-40.9	169.2	-70.1	-42.6	0	0	0	111.4	L352 A417 L425	L352-D421 HydrophobicContact CD1-CB 4.23Å; A417-D421 PolarHBondContact O-N 2.88Å; D421-L425 WeakPolarHBondContact O-CB 3.35Å; D421-L425 WeakPolarHBondContact O-CG 3.37Å; D421-L425 PolarHBondContact O-N 3.21Å; D421-L425 VanDerWaalsContact O-N 3.15Å
422	M	62.3	Low	52.8	Low	4 Å²	4	71.3 Å²	71.3	2%	0.02	41%	0.412	C	S	.	.	H	α-helix	trans	-69.4	-32.2	176.7	-83.8	-63.4	-44.6	0	0	114.3	L352 L400 F418 E420 L426	L352-M422 HydrophobicContact CD1-CG 3.86Å; L352-M422 HydrophobicContact CD1-SD 3.92Å; L352-M422 HydrophobicContact CD2-CG 4.41Å; L352-M422 HydrophobicContact CD2-SD 3.4Å; L352-M422 WeakPolarHBondContact CD2-SD 3.46Å; L352-M422 HydrophobicContact CG-SD 4.33Å; L400-M422 HydrophobicContact CB-CE 3.79Å; L400-M422 HydrophobicContact CB-SD 3.66Å; L400-M422 HydrophobicContact CD1-SD 3.77Å; L400-M422 HydrophobicContact CG-SD 4.25Å; F418-M422 HydrophobicContact CE2-CG 4.32Å; F418-M422 WeakPolarHBondContact O-CB 3.46Å; F418-M422 WeakPolarHBondContact O-CG 3.39Å; F418-M422 PolarHBondContact O-N 2.98Å; E420-M422 PolarHBondContact O-N 3.07Å; M422-L426 HydrophobicContact CE-CD1 3.36Å; M422-L426 HydrophobicContact CE-CG 3.87Å; M422-L426 VanDerWaalsContact O-CB 3.27Å; M422-L426 WeakPolarHBondContact O-CB 3.49Å; M422-L426 VanDerWaalsContact O-CG 3.27Å; M422-L426 WeakPolarHBondContact O-CG 3.4Å; M422-L426 PolarHBondContact O-N 3.19Å; M422-L426 VanDerWaalsContact O-N 3.09Å
423	D	63.6	Low	52.8	Low	60 Å²	60	68.4 Å²	68.4	32%	0.321	41%	0.408	S	S	.	.	H	α-helix	trans	-78.3	-44.7	178.2	-163	24.9	0	0	0	110.9	Y404 F419 E420 L425 L426 N427	Y404-D423 HydrophobicContact CE2-CB 3.79Å; Y404-D423 WeakPolarHBondContact CE2-OD1 3.47Å; Y404-D423 PolarHBondContact OH-OD1 3.37Å; F419-D423 PolarHBondContact O-N 3.42Å; E420-D423 PolarHBondContact O-N 3.03Å; E420-D423 VanDerWaalsContact O-N 3.14Å; D423-L425 VanDerWaalsContact C-N 3.25Å; D423-L425 PolarHBondContact O-N 2.93Å; D423-L426 PolarHBondContact O-N 3.25Å; D423-L426 VanDerWaalsContact O-N 3.14Å; D423-N427 WeakPolarHBondContact O-CB 3.4Å; D423-N427 PolarHBondContact O-N 3.08Å
424	A	65.4	Low	52.6	Low	37 Å²	37	65.4 Å²	65.4	31%	0.306	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-37.2	175.3	0	0	0	0	0	112.3	E420	E420-A424 WeakPolarHBondContact O-CB 3.32Å; E420-A424 PolarHBondContact O-N 3.38Å
425	L	64	Low	52.5	Low	13 Å²	13	65.7 Å²	65.7	7%	0.068	41%	0.411	C	S	.	.	H	α-helix	trans	-69.3	-50.3	170.5	-83.5	166.4	0	0	0	112.8	L352 L355 K356 Y361 D421 D423 N427	L352-L425 HydrophobicContact CB-CD1 3.87Å; L352-L425 HydrophobicContact CD2-CD1 3.56Å; L352-L425 HydrophobicContact CG-CD1 4.27Å; L355-L425 HydrophobicContact CB-CD2 4.42Å; K356-L425 HydrophobicContact CB-CD2 3.88Å; K356-L425 HydrophobicContact CG-CD2 4.29Å; Y361-L425 HydrophobicContact CD2-CD2 4.26Å; Y361-L425 WeakPolarHBondContact CE1-O 3.43Å; Y361-L425 HydrophobicContact CG-CD2 4.04Å; Y361-L425 PolarHBondContact OH-O 3.14Å; D421-L425 WeakPolarHBondContact O-CB 3.35Å; D421-L425 WeakPolarHBondContact O-CG 3.37Å; D421-L425 PolarHBondContact O-N 3.21Å; D421-L425 VanDerWaalsContact O-N 3.15Å; D423-L425 VanDerWaalsContact C-N 3.25Å; D423-L425 PolarHBondContact O-N 2.93Å; L425-N427 VanDerWaalsContact C-N 3.33Å; L425-N427 PolarHBondContact O-N 3.43Å
426	L	60.9	Low	51.9	Low	26 Å²	26	68.4 Å²	68.4	14%	0.136	42%	0.421	C	S	.	.	H	α-helix	trans	-78.5	-12.9	-170.9	-73.9	177.4	0	0	0	115	Y361 Q401 Y404 M422 D423	Y361-L426 HydrophobicContact CE2-CD2 3.98Å; Q401-L426 HydrophobicContact CB-CD1 4.49Å; Q401-L426 HydrophobicContact CG-CD1 4.14Å; Q401-L426 HydrophobicContact CG-CD2 3.99Å; Y404-L426 HydrophobicContact CD1-CD1 3.36Å; Y404-L426 HydrophobicContact CD2-CD1 4.09Å; Y404-L426 HydrophobicContact CE1-CB 4.25Å; Y404-L426 HydrophobicContact CE1-CD1 3.89Å; Y404-L426 HydrophobicContact CG-CD1 3.47Å; Y404-L426 VanDerWaalsContact CG-CD1 3.47Å; M422-L426 HydrophobicContact CE-CD1 3.36Å; M422-L426 HydrophobicContact CE-CG 3.87Å; M422-L426 VanDerWaalsContact O-CB 3.27Å; M422-L426 WeakPolarHBondContact O-CB 3.49Å; M422-L426 VanDerWaalsContact O-CG 3.27Å; M422-L426 WeakPolarHBondContact O-CG 3.4Å; M422-L426 PolarHBondContact O-N 3.19Å; M422-L426 VanDerWaalsContact O-N 3.09Å; D423-L426 PolarHBondContact O-N 3.25Å; D423-L426 VanDerWaalsContact O-N 3.14Å
427	N	61.2	Low	51.1	Low	49 Å²	49	74.8 Å²	74.8	26%	0.262	44%	0.442	S	S	.	.			trans	-142	43.9	-167.4	-152.1	37.9	0	0	0	113.6	R408 D423 L425 A429 A430	R408-N427 PolarHBondContact NH1-ND2 3.47Å; D423-N427 WeakPolarHBondContact O-CB 3.4Å; D423-N427 PolarHBondContact O-N 3.08Å; L425-N427 VanDerWaalsContact C-N 3.33Å; L425-N427 PolarHBondContact O-N 3.43Å; N427-A429 VanDerWaalsContact C-N 3.28Å; N427-A429 PolarHBondContact O-N 3.1Å; N427-A429 VanDerWaalsContact O-N 3.1Å; N427-A430 WeakPolarHBondContact O-CB 3.33Å; N427-A430 PolarHBondContact O-N 3.03Å
428	P	54	Low	51.2	Low	71 Å²	71	79 Å²	79	46%	0.461	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-59.8	-31.2	-165.5	23.9	-35.4	0	0	0	114.4	A430 H431	P428-A430 PolarHBondContact O-N 3.46Å; P428-H431 PolarHBondContact O-N 2.79Å
429	A	45	Very low	49.8	Very low	81 Å²	81	84.8 Å²	84.8	67%	0.669	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-61.6	-22.8	176.5	0	0	0	0	0	113.6	N427 H431 A432	N427-A429 VanDerWaalsContact C-N 3.28Å; N427-A429 PolarHBondContact O-N 3.1Å; N427-A429 VanDerWaalsContact O-N 3.1Å; A429-H431 PolarHBondContact O-N 3.03Å; A429-A432 WeakPolarHBondContact O-CB 3.49Å; A429-A432 PolarHBondContact O-N 3.46Å
430	A	48	Very low	48.3	Very low	59 Å²	59	88.9 Å²	88.9	49%	0.488	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-71.4	-14	174.6	0	0	0	0	0	113.4	N427 P428	N427-A430 WeakPolarHBondContact O-CB 3.33Å; N427-A430 PolarHBondContact O-N 3.03Å; P428-A430 PolarHBondContact O-N 3.46Å
431	H	48.7	Very low	47	Very low	126 Å²	126	91.7 Å²	91.7	58%	0.583	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-105.6	1.9	175.1	-62.4	-69.8	0	0	0	113	P428 A429 S433	P428-H431 PolarHBondContact O-N 2.79Å; A429-H431 PolarHBondContact O-N 3.03Å; H431-S433 VanDerWaalsContact C-N 3.32Å; H431-S433 PolarHBondContact O-N 2.9Å
432	A	42.6	Very low	45.3	Very low	80 Å²	80	97.4 Å²	97.4	66%	0.661	56%	0.556	S	S	*	*			trans	-80.8	-5	-175.4	0	0	0	0	0	114.5	A429	A429-A432 WeakPolarHBondContact O-CB 3.49Å; A429-A432 PolarHBondContact O-N 3.46Å
433	S	37.9	Very low	43.7	Very low	112 Å²	112	102.4 Å²	102.4	78%	0.783	59%	0.589	S	S	*	*	S	Bend	trans	-102.3	49.8	-178.5	68.5	0	0	0	0	113.4	H431	H431-S433 VanDerWaalsContact C-N 3.32Å; H431-S433 PolarHBondContact O-N 2.9Å
434	S	33.3	Very low	41.7	Very low	110 Å²	110	107.4 Å²	107.4	77%	0.769	62%	0.615	S	S	*	*	S	Bend	trans	-159.7	100.6	157.4	-170	0	0	0	0	109.7
435	T	38	Very low	39.9	Very low	114 Å²	114	111.3 Å²	111.3	70%	0.699	64%	0.638	S	S	*	*			trans	-69.1	162.6	169	35.8	0	0	0	0	111.2
436	D	30	Very low	38.1	Very low	146 Å²	146	122.1 Å²	122.1	78%	0.781	68%	0.677	S	S	*	*			cis	-150.4	179	4	-129.8	-40.1	0	0	0	114
437	K	31.6	Very low	36.4	Very low	191 Å²	191	129.6 Å²	129.6	83%	0.83	72%	0.717	S	S	*	*			trans	-108.4	-164.9	166.4	-73.5	-168.2	175.4	-175	0	109.3
438	P	53	Low	34.8	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	75%	0.745	S	S	*	*			cis	-137.8	-165.8	-4.2	35.5	-12.1	0	0	0	116.2
439	K	26.7	Very low	33.3	Very low	162 Å²	162	144.2 Å²	144.2	70%	0.704	76%	0.764	S	S	*	*			trans	95.1	138.6	162	-68.7	-179.1	164.6	-81.5	0	117.5
440	E	27.5	Very low	32.3	Very low	159 Å²	159	148 Å²	148	74%	0.743	77%	0.772	S	S	*	*			cis	-147.4	-172.6	-10.9	-148.6	128.7	-129.5	0	0	111.9
441	M	32.8	Very low	31.2	Very low	167 Å²	167	149.2 Å²	149.2	82%	0.823	78%	0.782	S	S	*	*			trans	-145.4	137.3	-161.6	175.4	-176	70.1	0	0	112.9
442	I	25.6	Very low	30	Very low	167 Å²	167	151.5 Å²	151.5	86%	0.856	80%	0.796	S	S	*	*			trans	-146.4	159.2	169.4	11.4	177.7	0	0	0	110
443	P	27.5	Very low	29.1	Very low	109 Å²	109	153.5 Å²	153.5	71%	0.708	81%	0.805	S	S	*	*				-133.9	177.8	-109.5	41.6	-24.9	0	0	0	116.1
444	L	23.2	Very low	28.5	Very low	166 Å²	166	151.6 Å²	151.6	87%	0.869	80%	0.803	S	S	*	*	S	Bend	trans	-107.9	157.5	158.1	-86	172.2	0	0	0	110.5
445	P	26.3	Very low	28.4	Very low	119 Å²	119	155.6 Å²	155.6	77%	0.773	81%	0.807	S	S	*	*			trans	-76.7	155.1	-151.7	28.9	-36.8	0	0	0	115
446	R	26.8	Very low	28	Very low	240 Å²	240	157.2 Å²	157.2	91%	0.906	81%	0.807	S	S	*	*			trans	-115	137.2	164.1	-76.1	-176	168.9	174.2	-3.5	110.4
447	L	25.4	Very low	27.8	Very low	183 Å²	183	157.8 Å²	157.8	96%	0.958	80%	0.804	S	S	*	*			trans	-63.7	143.3	171.4	-83.5	157.4	0	0	0	110.8
448	K	27.1	Very low	27.5	Very low	198 Å²	198	155.8 Å²	155.8	86%	0.861	80%	0.801	S	S	*	*			trans	-72.3	148.6	-175.4	-57.1	175.9	-178.9	177.9	0	112
449	R	22.8	Very low	25.9	Very low	228 Å²	228	155.8 Å²	155.8	86%	0.86	80%	0.804	S	S	*	*				-162.1	134.1	119.7	-119.7	-176.4	-109.2	-165.2	-4.6	115.3
450	I	24.3	Very low	25.8	Very low	161 Å²	161	155.8 Å²	155.8	83%	0.826	81%	0.811	S	S	*	*			trans	66.8	149.2	161.6	-45.9	-174.7	0	0	0	115.6
451	A	23.5	Very low	25.8	Very low	85 Å²	85	154.4 Å²	154.4	70%	0.702	81%	0.813	S	S	*	*			trans	-140	174.7	-168.6	0	0	0	0	0	111.2
452	I	24.9	Very low	25.8	Very low	174 Å²	174	154.4 Å²	154.4	89%	0.892	81%	0.811	S	S	*	*			trans	-166.5	162.5	150.8	-100.5	148.9	0	0	0	109.8
453	S	24.1	Very low	26	Very low	121 Å²	121	154.8 Å²	154.8	85%	0.846	81%	0.809	S	S	*	*			trans	-57.6	169.3	-179	-141.8	0	0	0	0	114.8
454	G	25.3	Very low	26	Very low	72 Å²	72	158 Å²	158	74%	0.742	81%	0.814	S	S	*	*			cis	-160.1	-144.8	14.7	0	0	0	0	0	115.3
455	K	30.9	Very low	26.3	Very low	194 Å²	194	159.2 Å²	159.2	84%	0.843	82%	0.816	S	S	*	*			trans	-135.8	-175.1	-153.4	-150	-174.3	178.6	-170.6	0	114.8
456	E	29.7	Very low	26.3	Very low	149 Å²	149	157.4 Å²	157.4	70%	0.696	81%	0.811	S	S	*	*			trans	82.9	150.6	164.7	-71.2	148.5	-145.8	0	0	117.8
457	H	24.5	Very low	26.5	Very low	158 Å²	158	150.3 Å²	150.3	73%	0.731	80%	0.803	S	S	*	*			cis	-143.5	159.9	-6	-99.2	-55.1	0	0	0	107.7
458	I	25.6	Very low	26.8	Very low	148 Å²	148	149.8 Å²	149.8	76%	0.759	80%	0.796	S	S	*	*				63.3	134.6	61.3	-63.1	179.1	0	0	0	112.4
459	S	20.4	Very low	26.9	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	79%	0.793	S	S	*	*			cis	-133.8	-156.6	19.4	67	0	0	0	0	115.6
460	L	24.8	Very low	27.3	Very low	163 Å²	163	141.6 Å²	141.6	85%	0.853	79%	0.787	S	S	*	*			trans	-120.2	-173.8	164.5	-114.7	172.2	0	0	0	109.7
461	V	27.7	Very low	27.6	Very low	130 Å²	130	141.7 Å²	141.7	79%	0.788	79%	0.789	S	S	*	*			trans	-121	151.3	173.5	178.5	0	0	0	0	110.8
462	E	31.9	Very low	27.8	Very low	166 Å²	166	141.3 Å²	141.3	78%	0.776	79%	0.793	S	S	*	*			trans	-67.7	166.2	-177.4	-64.6	146.8	166.2	0	0	113.5
463	E	29.7	Very low	28.1	Very low	176 Å²	176	140.7 Å²	140.7	82%	0.822	79%	0.792	S	S	*	*			cis	-159.5	-162	-2.1	-128.6	176.1	179.3	0	0	112.5
464	E	27.6	Very low	28.4	Very low	176 Å²	176	142.2 Å²	142.2	82%	0.822	79%	0.786	S	S	*	*			trans	90.3	110.1	162	-58.6	-167.5	149.2	0	0	121.1
465	E	29	Very low	28.6	Very low	191 Å²	191	146.3 Å²	146.3	89%	0.893	79%	0.787	S	S	*	*				43.4	154.7	129.2	-59.2	-153.2	161.8	0	0	123.9
466	A	27.4	Very low	28.3	Very low	81 Å²	81	140.4 Å²	140.4	67%	0.669	78%	0.782	S	S	*	*			cis	-173	159.5	-26	0	0	0	0	0	109.8
467	A	29.7	Very low	28.2	Very low	91 Å²	91	139.7 Å²	139.7	75%	0.752	79%	0.787	S	S	*	*			trans	63.1	162.1	163.3	0	0	0	0	0	118.3
468	E	32.8	Very low	28.2	Very low	172 Å²	172	141 Å²	141	80%	0.804	79%	0.793	S	S	*	*			cis	-158.9	167.5	-36.8	-114.3	166	-179.9	0	0	109.7
469	D	28.3	Very low	28.2	Very low	151 Å²	151	143.8 Å²	143.8	81%	0.807	80%	0.801	S	S	*	*			trans	67.7	149.5	152.1	-74.9	2	0	0	0	126.6
470	S	32	Very low	28.7	Very low	103 Å²	103	144.6 Å²	144.6	72%	0.72	80%	0.795	S	S	*	*			trans	87.8	89.3	146.6	-162.6	0	0	0	0	121.7
471	D	29.7	Very low	28.8	Very low	163 Å²	163	147.3 Å²	147.3	87%	0.872	79%	0.794	S	S	*	*				37.6	142.6	115.3	-57.9	-11	0	0	0	122.8
472	G	28.6	Very low	28.9	Very low	77 Å²	77	150.4 Å²	150.4	79%	0.794	80%	0.797	S	S	*	*			trans	168	91.5	166.1	0	0	0	0	0	116
473	D	30.5	Very low	28.7	Very low	161 Å²	161	147.2 Å²	147.2	86%	0.861	79%	0.793	S	S	*	*			trans	-65.9	175.7	172	-62.5	-69.7	0	0	0	113.6
474	E	30.4	Very low	28.6	Very low	153 Å²	153	147.4 Å²	147.4	72%	0.715	79%	0.794	S	S	*	*			cis	-157.6	169.3	13.2	-147.6	-168.9	141.3	0	0	110.7
475	M	29.5	Very low	29	Very low	158 Å²	158	146.2 Å²	146.2	78%	0.778	79%	0.792	S	S	*	*			trans	38.9	135	154.8	-65.4	-106.2	-133.4	0	0	120.8
476	G	25.2	Very low	28.7	Very low	70 Å²	70	146.9 Å²	146.9	72%	0.722	79%	0.794	S	S	*	*			cis	119.1	147.3	33	0	0	0	0	0	108.9
477	V	26.9	Very low	28.8	Very low	135 Å²	135	146 Å²	146	82%	0.818	79%	0.793	S	S	*	*			cis	-149.3	145.8	1.3	174.9	0	0	0	0	107.4
478	E	24.6	Very low	28.6	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	79%	0.794	S	S	*	*			trans	-131.9	163.3	166.8	-145	174.6	-136.9	0	0	112
479	F	25.7	Very low	28.5	Very low	208 Å²	208	141.3 Å²	141.3	91%	0.912	78%	0.778	S	S	*	*			trans	-76.5	150.6	-147.1	-93.7	-111.6	0	0	0	117.7
480	I	29.7	Very low	29.2	Very low	128 Å²	128	139.6 Å²	139.6	66%	0.656	77%	0.773	S	S	*	*			trans	-109.1	117.3	179.7	-70.8	-178.6	0	0	0	111.5
481	R	27.6	Very low	29.3	Very low	219 Å²	219	140.5 Å²	140.5	83%	0.826	77%	0.769	S	S	*	*			trans	65.6	143.9	158	-58	166.7	-164.4	167.8	5.9	115.5
482	K	29.7	Very low	29.4	Very low	195 Å²	195	141.1 Å²	141.1	85%	0.848	76%	0.764	S	S	*	*			cis	63.4	134.1	47.2	-64	-172.2	176	-176.4	0	112.5
483	S	28.4	Very low	29.8	Very low	100 Å²	100	145 Å²	145	70%	0.699	76%	0.761	S	S	*	*			cis	-124.4	-161.1	5.1	-59.2	0	0	0	0	109.2
484	E	27.8	Very low	30	Very low	180 Å²	180	142.6 Å²	142.6	84%	0.841	75%	0.748	S	S	*	*			cis	-160.5	-179.6	18.9	-150.6	136.9	-100.3	0	0	112.9
485	I	34.6	Very low	30.6	Very low	151 Å²	151	142 Å²	142	77%	0.774	75%	0.75	S	S	*	*			trans	-113.8	133.9	-159.1	-60.9	161.6	0	0	0	112.5
486	H	24.5	Very low	31.5	Very low	204 Å²	204	135.9 Å²	135.9	94%	0.944	72%	0.722	S	S	*	*			trans	-167.5	133.8	148.9	-97.9	71.5	0	0	0	106.8
487	G	29.5	Very low	32.3	Very low	63 Å²	63	133.3 Å²	133.3	65%	0.649	70%	0.696	S	S	*	*			cis	-179.7	171.2	-7.6	0	0	0	0	0	111.3
488	A	24.4	Very low	33.3	Very low	94 Å²	94	130.4 Å²	130.4	78%	0.777	68%	0.678	S	S	*	*			trans	67.2	161.6	178	0	0	0	0	0	117.8
489	P	31.8	Very low	34.6	Very low	70 Å²	70	128.1 Å²	128.1	46%	0.455	67%	0.667	S	S	.	*			cis	-118.6	157.5	-17.3	38.5	-26.1	0	0	0	113.8	R326 L491	R326-P489 VanDerWaalsContact NH1-CB 3.26Å; P489-L491 PolarHBondContact O-N 3.01Å
490	V	42.7	Very low	36.7	Very low	116 Å²	116	120.3 Å²	120.3	70%	0.703	63%	0.632	S	S	*	*			trans	-75.4	110.6	173.7	-178.8	0	0	0	0	110.7
491	L	33.8	Very low	38.3	Very low	121 Å²	121	115.9 Å²	115.9	63%	0.634	62%	0.617	S	S	*	*			trans	-105	149.8	160.2	-72.2	173	0	0	0	109.8	P489 Q493	P489-L491 PolarHBondContact O-N 3.01Å; L491-Q493 PolarHBondContact O-N 3.45Å
492	F	31.8	Very low	40.3	Very low	176 Å²	176	111.9 Å²	111.9	77%	0.772	60%	0.603	S	S	*	*			trans	-48.4	122.3	-163.5	-75.4	-97.3	0	0	0	115.7	N494	F492-N494 PolarHBondContact O-N 2.91Å
493	Q	37.3	Very low	42	Very low	158 Å²	158	108.5 Å²	108.5	74%	0.738	59%	0.591	S	S	*	*			trans	-74.4	79	174.1	-70.1	-173.7	-5.8	0	0	112.8	L491 L495	L491-Q493 PolarHBondContact O-N 3.45Å; Q493-L495 HydrophobicContact CB-CG 4.48Å; Q493-L495 PolarHBondContact O-N 3.33Å
494	N	33.8	Very low	44.2	Very low	111 Å²	111	105.5 Å²	105.5	59%	0.594	57%	0.565	S	S	*	*			trans	-79	66.4	166.5	-77.3	-13.5	0	0	0	111.5	F492 S496 G497	F492-N494 PolarHBondContact O-N 2.91Å; N494-S496 PolarHBondContact O-N 3.44Å; N494-G497 PolarHBondContact O-N 3.01Å
495	L	43.8	Very low	46.7	Very low	141 Å²	141	97.4 Å²	97.4	74%	0.738	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-11.7	175.4	-75.2	165.1	0	0	0	113.6	Q493 G497	Q493-L495 HydrophobicContact CB-CG 4.48Å; Q493-L495 PolarHBondContact O-N 3.33Å; L495-G497 VanDerWaalsContact C-N 3.31Å
496	S	48.1	Very low	48.7	Very low	29 Å²	29	94 Å²	94	20%	0.203	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.1	173.4	57.7	0	0	0	0	114.8	E346 K349 N494 V498	E346-S496 PolarHBondContact OE1-OG 2.92Å; E346-S496 WeakPolarHBondContact OE2-CB 3.43Å; E346-S496 PolarHBondContact OE2-OG 3.07Å; K349-S496 PolarHBondContact NZ-O 3.1Å; N494-S496 PolarHBondContact O-N 3.44Å; S496-V498 PolarHBondContact O-N 3.39Å
497	G	41.4	Very low	51.2	Low	17 Å²	17	86.2 Å²	86.2	18%	0.175	48%	0.475	C	S	.	.			trans	-61.8	87.5	-165.3	0	0	0	0	0	117.6	N494 L495 H499 R545	N494-G497 PolarHBondContact O-N 3.01Å; L495-G497 VanDerWaalsContact C-N 3.31Å; G497-H499 CarbonylContact C-O 3.5Å; G497-H499 VanDerWaalsContact C-O 3.24Å; G497-H499 VanDerWaalsContact CA-O 3.29Å; G497-H499 WeakPolarHBondContact CA-O 3.47Å; G497-R545 PolarHBondContact O-NH1 2.85Å
498	V	49	Very low	53.7	Low	73 Å²	73	83.2 Å²	83.2	44%	0.442	44%	0.444	S	S	.	.	S	Bend	trans	-64.4	-32.4	148.8	176.1	0	0	0	0	109.6	A417 S496	A417-V498 HydrophobicContact CB-CG1 4.16Å; A417-V498 HydrophobicContact CB-CG2 4.39Å; S496-V498 PolarHBondContact O-N 3.39Å
499	H	50.7	Low	56.3	Low	136 Å²	136	78.8 Å²	78.8	63%	0.63	41%	0.407	S	S	*	.	S	Bend	trans	-71.5	141.5	163.8	-62.3	-83.9	0	0	0	109.9	G497 R545	G497-H499 CarbonylContact C-O 3.5Å; G497-H499 VanDerWaalsContact C-O 3.24Å; G497-H499 VanDerWaalsContact CA-O 3.29Å; G497-H499 WeakPolarHBondContact CA-O 3.47Å; H499-R545 PolarHBondContact O-NH2 3.37Å
500	W	69.6	Low	58.5	Low	45 Å²	45	77.1 Å²	77.1	17%	0.17	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-102.9	138	165.8	-71.1	52.3	0	0	0	107.5	E504 T505 F508 L538 R545 Q549 K553	W500-E504 VanDerWaalsContact CA-OE2 3.26Å; W500-E504 WeakPolarHBondContact CA-OE2 3.3Å; W500-E504 HydrophobicContact CE3-CB 4.13Å; W500-T505 WeakPolarHBondContact CB-OG1 3.43Å; W500-F508 HydrophobicContact CH2-CD2 4.32Å; W500-F508 HydrophobicContact CH2-CG 4.27Å; W500-F508 HydrophobicContact CZ3-CB 3.85Å; W500-F508 HydrophobicContact CZ3-CD1 4.27Å; W500-F508 HydrophobicContact CZ3-CD2 4.33Å; W500-F508 AromaticContact CZ3-CG 3.9Å; W500-F508 HydrophobicContact CZ3-CG 3.9Å; W500-L538 HydrophobicContact CH2-CD1 4.25Å; W500-L538 HydrophobicContact CZ3-CD1 4.29Å; W500-R545 HydrophobicContact CH2-CB 4.3Å; W500-R545 HydrophobicContact CH2-CG 3.96Å; W500-R545 HydrophobicContact CZ2-CG 4.28Å; W500-R545 HydrophobicContact CZ3-CG 4.29Å; W500-Q549 HydrophobicContact CZ2-CB 4.4Å; W500-K553 VanDerWaalsContact CB-NZ 3.28Å; W500-K553 HydrophobicContact CD2-CD 3.63Å; W500-K553 VanDerWaalsContact CD2-CE 3.48Å; W500-K553 HydrophobicContact CD2-CG 3.97Å; W500-K553 HydrophobicContact CE3-CD 4.12Å; W500-K553 HydrophobicContact CE3-CG 4.16Å; W500-K553 HydrophobicContact CG-CD 3.86Å; W500-K553 HydrophobicContact CH2-CB 4.02Å; W500-K553 HydrophobicContact CH2-CG 3.9Å; W500-K553 HydrophobicContact CZ2-CB 3.49Å; W500-K553 VanDerWaalsContact CZ2-CB 3.49Å; W500-K553 HydrophobicContact CZ2-CD 4.19Å; W500-K553 HydrophobicContact CZ2-CG 3.69Å; W500-K553 HydrophobicContact CZ3-CG 4.13Å
501	G	65	Low	60.1	Low	34 Å²	34	72 Å²	72	35%	0.351	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-60.2	160.9	168.3	0	0	0	0	0	111.9	E504 T505	G501-E504 PolarHBondContact N-OE2 2.9Å; G501-T505 VanDerWaalsContact O-CB 3.28Å; G501-T505 WeakPolarHBondContact O-CB 3.49Å; G501-T505 PolarHBondContact O-N 3.21Å; G501-T505 PolarHBondContact O-OG1 3.5Å
502	Y	68.3	Low	61.9	Low	135 Å²	135	66.4 Å²	66.4	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-47	173	174.3	-112.2	0	0	0	110.5	T505 K506 F575	Y502-T505 WeakPolarHBondContact O-CB 3.4Å; Y502-T505 PolarHBondContact O-N 2.9Å; Y502-K506 PolarHBondContact O-N 2.9Å; Y502-F575 HydrophobicContact CE2-CB 4.25Å
503	E	65.9	Low	63.8	Low	125 Å²	125	63.6 Å²	63.6	58%	0.584	32%	0.318	S	S	*	.	H	α-helix	trans	-63.9	-50.5	178	-67.2	166	176	0	0	111.8	T505 K506 T507	E503-T505 PolarHBondContact O-N 3.42Å; E503-T505 VanDerWaalsContact O-N 3.16Å; E503-K506 PolarHBondContact O-N 3.3Å; E503-T507 PolarHBondContact O-N 3.19Å; E503-T507 PolarHBondContact O-OG1 3.44Å
504	E	74.5	Confident	65.1	Low	36 Å²	36	63.9 Å²	63.9	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-52.2	-40.6	173	-60.7	-170.2	98.1	0	0	112.4	W500 G501 F508 F543 R545	W500-E504 VanDerWaalsContact CA-OE2 3.26Å; W500-E504 WeakPolarHBondContact CA-OE2 3.3Å; W500-E504 HydrophobicContact CE3-CB 4.13Å; G501-E504 PolarHBondContact N-OE2 2.9Å; E504-F508 VanDerWaalsContact O-CB 3.31Å; E504-F508 WeakPolarHBondContact O-CB 3.5Å; E504-F508 PolarHBondContact O-N 2.86Å; E504-F508 VanDerWaalsContact O-N 3.16Å; E504-F543 HydrophobicContact CB-CD1 4.41Å; E504-F543 HydrophobicContact CG-CD1 3.65Å; E504-F543 HydrophobicContact CG-CE1 3.74Å; E504-F543 HydrophobicContact CG-CG 4.41Å; E504-R545 IonicContact OE1-CZ 3.18Å; E504-R545 VanDerWaalsContact OE1-CZ 3.27Å; E504-R545 IonicContact OE1-NE 3.94Å; E504-R545 PolarHBondContact OE1-NE 2.8Å; E504-R545 IonicContact OE1-NH2 3.33Å; E504-R545 PolarHBondContact OE1-NH2 2.81Å; E504-R545 IonicContact OE2-CZ 2.77Å; E504-R545 IonicContact OE2-NH2 3.97Å; E504-R545 PolarHBondContact OE2-NH2 3.39Å
505	T	79.4	Confident	66.2	Low	10 Å²	10	59.9 Å²	59.9	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-39.1	179.6	-58.7	0	0	0	0	111	W500 G501 Y502 E503 L509 K553 L557 F575	W500-T505 WeakPolarHBondContact CB-OG1 3.43Å; G501-T505 VanDerWaalsContact O-CB 3.28Å; G501-T505 WeakPolarHBondContact O-CB 3.49Å; G501-T505 PolarHBondContact O-N 3.21Å; G501-T505 PolarHBondContact O-OG1 3.5Å; Y502-T505 WeakPolarHBondContact O-CB 3.4Å; Y502-T505 PolarHBondContact O-N 2.9Å; E503-T505 PolarHBondContact O-N 3.42Å; E503-T505 VanDerWaalsContact O-N 3.16Å; T505-L509 WeakPolarHBondContact O-CG 3.46Å; T505-L509 PolarHBondContact O-N 3.47Å; T505-L509 VanDerWaalsContact O-N 3.14Å; T505-K553 PolarHBondContact OG1-NZ 3.37Å; T505-L557 HydrophobicContact CG2-CD1 4.36Å; T505-F575 HydrophobicContact CG2-CD2 3.78Å; T505-F575 HydrophobicContact CG2-CE2 3.41Å; T505-F575 VanDerWaalsContact CG2-CE2 3.41Å; T505-F575 HydrophobicContact CG2-CZ 4.37Å
506	K	76.6	Confident	66.9	Low	81 Å²	81	62.3 Å²	62.3	35%	0.352	30%	0.298	S	S	.	.	H	α-helix	trans	-67.5	-51.5	178.5	-169	-172.4	173.9	-171.5	0	111.2	Y502 E503 F508 L509 D510 E578	Y502-K506 PolarHBondContact O-N 2.9Å; E503-K506 PolarHBondContact O-N 3.3Å; K506-F508 PolarHBondContact O-N 2.88Å; K506-L509 WeakPolarHBondContact O-CA 3.27Å; K506-L509 WeakPolarHBondContact O-CB 3.48Å; K506-L509 PolarHBondContact O-N 3.4Å; K506-D510 WeakPolarHBondContact CE-OD2 3.33Å; K506-D510 PolarHBondContact O-N 3.37Å; K506-E578 VanDerWaalsContact CE-OE1 3.28Å; K506-E578 WeakPolarHBondContact CE-OE1 3.49Å
507	T	78.5	Confident	67.6	Low	39 Å²	39	62.7 Å²	62.7	24%	0.239	30%	0.296	C	S	.	.	H	α-helix	trans	-56.2	-37.2	176.8	-52.4	0	0	0	0	111.6	E503 D510 I511 L538 C541 F543	E503-T507 PolarHBondContact O-N 3.19Å; E503-T507 PolarHBondContact O-OG1 3.44Å; T507-D510 PolarHBondContact O-N 2.87Å; T507-I511 HydrophobicContact CG2-CD1 4.01Å; T507-I511 WeakPolarHBondContact O-CB 3.31Å; T507-I511 VanDerWaalsContact O-CG1 3.3Å; T507-I511 WeakPolarHBondContact O-CG1 3.17Å; T507-I511 PolarHBondContact O-N 2.9Å; T507-L538 HydrophobicContact CG2-CD2 4.24Å; T507-C541 HydrophobicContact CG2-CB 4.1Å; T507-F543 HydrophobicContact CG2-CD2 4.18Å; T507-F543 HydrophobicContact CG2-CE2 4.06Å
508	F	81.8	Confident	68.4	Low	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-35.8	172.6	173.6	-111.5	0	0	0	114.2	W500 E504 K506 L512 V534 L538 C550 K553 F554	W500-F508 HydrophobicContact CH2-CD2 4.32Å; W500-F508 HydrophobicContact CH2-CG 4.27Å; W500-F508 HydrophobicContact CZ3-CB 3.85Å; W500-F508 HydrophobicContact CZ3-CD1 4.27Å; W500-F508 HydrophobicContact CZ3-CD2 4.33Å; W500-F508 AromaticContact CZ3-CG 3.9Å; W500-F508 HydrophobicContact CZ3-CG 3.9Å; E504-F508 VanDerWaalsContact O-CB 3.31Å; E504-F508 WeakPolarHBondContact O-CB 3.5Å; E504-F508 PolarHBondContact O-N 2.86Å; E504-F508 VanDerWaalsContact O-N 3.16Å; K506-F508 PolarHBondContact O-N 2.88Å; F508-L512 HydrophobicContact CD1-CD1 4.2Å; F508-L512 HydrophobicContact CD2-CD1 4.36Å; F508-L512 HydrophobicContact CE1-CD1 3.72Å; F508-L512 HydrophobicContact CE2-CD1 3.91Å; F508-L512 HydrophobicContact CE2-CG 4.36Å; F508-L512 HydrophobicContact CZ-CD1 3.58Å; F508-L512 HydrophobicContact CZ-CG 4.49Å; F508-L512 WeakPolarHBondContact O-CB 3.32Å; F508-L512 VanDerWaalsContact O-CG 3.26Å; F508-L512 WeakPolarHBondContact O-CG 3.26Å; F508-L512 PolarHBondContact O-N 3.46Å; F508-V534 HydrophobicContact CD2-CG1 3.8Å; F508-V534 HydrophobicContact CE2-CG1 3.61Å; F508-L538 HydrophobicContact CB-CD1 4.27Å; F508-L538 HydrophobicContact CB-CD2 4.3Å; F508-L538 HydrophobicContact CD2-CD1 3.76Å; F508-L538 HydrophobicContact CG-CD1 4.43Å; F508-C550 HydrophobicContact CE2-CB 3.73Å; F508-C550 HydrophobicContact CZ-CB 4.3Å; F508-C550 WeakPolarHBondContact CZ-O 3.39Å; F508-K553 HydrophobicContact CD1-CG 3.87Å; F508-K553 HydrophobicContact CE1-CB 4.18Å; F508-K553 HydrophobicContact CE1-CG 3.54Å; F508-K553 HydrophobicContact CZ-CB 4.39Å; F508-K553 HydrophobicContact CZ-CG 4.22Å; F508-F554 HydrophobicContact CE1-CB 4.49Å; F508-F554 HydrophobicContact CZ-CB 4.14Å
509	L	78.9	Confident	68.8	Low	1 Å²	1	61.9 Å²	61.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-71.8	-37.7	173.2	-66.5	-168	0	0	0	112.1	T505 K506 L512 R513 L557 F575 E578 M579 L582	T505-L509 WeakPolarHBondContact O-CG 3.46Å; T505-L509 PolarHBondContact O-N 3.47Å; T505-L509 VanDerWaalsContact O-N 3.14Å; K506-L509 WeakPolarHBondContact O-CA 3.27Å; K506-L509 WeakPolarHBondContact O-CB 3.48Å; K506-L509 PolarHBondContact O-N 3.4Å; L509-L512 CarbonylContact O-C 3.24Å; L509-L512 PolarHBondContact O-N 2.96Å; L509-R513 WeakPolarHBondContact O-CB 3.29Å; L509-R513 PolarHBondContact O-N 2.67Å; L509-L557 HydrophobicContact CD2-CD1 3.95Å; L509-F575 HydrophobicContact CD1-CD2 3.84Å; L509-F575 HydrophobicContact CD1-CE2 3.76Å; L509-E578 HydrophobicContact CD1-CB 3.98Å; L509-M579 HydrophobicContact CD1-CG 3.84Å; L509-M579 HydrophobicContact CD1-SD 3.99Å; L509-M579 HydrophobicContact CD2-CG 4.47Å; L509-M579 HydrophobicContact CD2-SD 3.5Å; L509-M579 VanDerWaalsContact CD2-SD 3.5Å; L509-M579 HydrophobicContact CG-SD 4.41Å; L509-L582 HydrophobicContact CB-CD1 3.88Å; L509-L582 HydrophobicContact CD1-CD1 4.42Å; L509-L582 HydrophobicContact CD2-CD1 3.9Å; L509-L582 HydrophobicContact CG-CD1 4.26Å
510	D	77.6	Confident	69.2	Low	35 Å²	35	57.2 Å²	57.2	19%	0.187	27%	0.267	C	S	.	.	H	α-helix	trans	-71.1	-40.3	179.9	-68.2	-30	0	0	0	111.5	K506 T507 L512 R513 E514	K506-D510 WeakPolarHBondContact CE-OD2 3.33Å; K506-D510 PolarHBondContact O-N 3.37Å; T507-D510 PolarHBondContact O-N 2.87Å; D510-L512 VanDerWaalsContact C-N 3.3Å; D510-L512 PolarHBondContact O-N 2.9Å; D510-R513 WeakPolarHBondContact O-CA 3.44Å; D510-R513 VanDerWaalsContact O-CB 3.26Å; D510-R513 WeakPolarHBondContact O-CB 3.4Å; D510-R513 PolarHBondContact O-N 3.24Å; D510-R513 IonicContact OD1-CZ 2.84Å; D510-R513 VanDerWaalsContact OD1-CZ 3.26Å; D510-R513 IonicContact OD1-NE 3.81Å; D510-R513 PolarHBondContact OD1-NE 3.06Å; D510-R513 IonicContact OD1-NH2 3.72Å; D510-R513 PolarHBondContact OD1-NH2 2.86Å; D510-E514 WeakPolarHBondContact O-CG 3.47Å; D510-E514 PolarHBondContact O-N 2.77Å
511	I	76.3	Confident	68.6	Low	10 Å²	10	55 Å²	55	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-57.1	-42.3	167.7	-72.8	165.8	0	0	0	111.3	T507 R513 T515 V534 Q537 L538	T507-I511 HydrophobicContact CG2-CD1 4.01Å; T507-I511 WeakPolarHBondContact O-CB 3.31Å; T507-I511 VanDerWaalsContact O-CG1 3.3Å; T507-I511 WeakPolarHBondContact O-CG1 3.17Å; T507-I511 PolarHBondContact O-N 2.9Å; I511-R513 PolarHBondContact O-N 2.71Å; I511-T515 WeakPolarHBondContact O-CB 3.43Å; I511-T515 WeakPolarHBondContact O-CG2 3.27Å; I511-T515 PolarHBondContact O-N 3.11Å; I511-T515 PolarHBondContact O-OG1 2.85Å; I511-V534 HydrophobicContact CG2-CB 4.44Å; I511-V534 HydrophobicContact CG2-CG1 4.01Å; I511-V534 HydrophobicContact CG2-CG2 4.39Å; I511-Q537 HydrophobicContact CD1-CB 4Å; I511-Q537 HydrophobicContact CG1-CB 4.32Å; I511-Q537 HydrophobicContact CG2-CB 4.16Å; I511-L538 HydrophobicContact CD1-CB 4.46Å; I511-L538 HydrophobicContact CD1-CD2 3.71Å; I511-L538 HydrophobicContact CD1-CG 3.78Å
512	L	72.1	Confident	68.2	Low	2 Å²	2	57.7 Å²	57.7	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-71.3	-7.8	175.3	-75	174.2	0	0	0	114.4	F508 L509 D510 F517 L521 V534 F554	F508-L512 HydrophobicContact CD1-CD1 4.2Å; F508-L512 HydrophobicContact CD2-CD1 4.36Å; F508-L512 HydrophobicContact CE1-CD1 3.72Å; F508-L512 HydrophobicContact CE2-CD1 3.91Å; F508-L512 HydrophobicContact CE2-CG 4.36Å; F508-L512 HydrophobicContact CZ-CD1 3.58Å; F508-L512 HydrophobicContact CZ-CG 4.49Å; F508-L512 WeakPolarHBondContact O-CB 3.32Å; F508-L512 VanDerWaalsContact O-CG 3.26Å; F508-L512 WeakPolarHBondContact O-CG 3.26Å; F508-L512 PolarHBondContact O-N 3.46Å; L509-L512 CarbonylContact O-C 3.24Å; L509-L512 PolarHBondContact O-N 2.96Å; D510-L512 VanDerWaalsContact C-N 3.3Å; D510-L512 PolarHBondContact O-N 2.9Å; L512-F517 HydrophobicContact CD2-CB 4.24Å; L512-L521 HydrophobicContact CD2-CD1 4.25Å; L512-V534 HydrophobicContact CD2-CG1 4.44Å; L512-V534 HydrophobicContact CD2-CG2 3.93Å; L512-F554 HydrophobicContact CD1-CD2 3.81Å; L512-F554 HydrophobicContact CD1-CE2 4.23Å
513	R	70.3	Confident	67.6	Low	118 Å²	118	55.2 Å²	55.2	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-100.3	-45.7	-179.9	-164.8	-157.5	-55.2	-117.3	7.3	111.7	L509 D510 I511 T515 L582	L509-R513 WeakPolarHBondContact O-CB 3.29Å; L509-R513 PolarHBondContact O-N 2.67Å; D510-R513 WeakPolarHBondContact O-CA 3.44Å; D510-R513 VanDerWaalsContact O-CB 3.26Å; D510-R513 WeakPolarHBondContact O-CB 3.4Å; D510-R513 PolarHBondContact O-N 3.24Å; D510-R513 IonicContact OD1-CZ 2.84Å; D510-R513 VanDerWaalsContact OD1-CZ 3.26Å; D510-R513 IonicContact OD1-NE 3.81Å; D510-R513 PolarHBondContact OD1-NE 3.06Å; D510-R513 IonicContact OD1-NH2 3.72Å; D510-R513 PolarHBondContact OD1-NH2 2.86Å; I511-R513 PolarHBondContact O-N 2.71Å; R513-T515 VanDerWaalsContact C-N 3.34Å; R513-L582 HydrophobicContact CB-CD2 3.87Å; R513-L582 HydrophobicContact CG-CD2 4.08Å
514	E	64.6	Low	66.9	Low	163 Å²	163	52.4 Å²	52.4	76%	0.762	26%	0.263	S	S	*	.	H	α-helix	trans	-70.6	-32.8	180	-68.9	173.5	-177.1	0	0	111.8	D510	D510-E514 WeakPolarHBondContact O-CG 3.47Å; D510-E514 PolarHBondContact O-N 2.77Å
515	T	58.4	Low	65.9	Low	27 Å²	27	56 Å²	56	17%	0.166	28%	0.279	C	S	.	.	S	Bend	trans	-93	147.6	174.4	64.7	0	0	0	0	111.5	I511 R513 F517	I511-T515 WeakPolarHBondContact O-CB 3.43Å; I511-T515 WeakPolarHBondContact O-CG2 3.27Å; I511-T515 PolarHBondContact O-N 3.11Å; I511-T515 PolarHBondContact O-OG1 2.85Å; R513-T515 VanDerWaalsContact C-N 3.34Å; T515-F517 VanDerWaalsContact CB-CD2 3.43Å; T515-F517 HydrophobicContact CG2-CD2 3.88Å; T515-F517 HydrophobicContact CG2-CE2 3.78Å; T515-F517 PolarHBondContact O-N 3.04Å; T515-F517 WeakPolarHBondContact OG1-CD2 3.35Å; T515-F517 WeakPolarHBondContact OG1-CG 3.45Å
516	R	57.5	Low	64.6	Low	193 Å²	193	66.5 Å²	66.5	73%	0.728	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	20.8	172.9	-56.3	-174.4	72.1	162.4	6.3	113.2	Y518 E519 A520	R516-Y518 PolarHBondContact O-N 2.89Å; R516-E519 IonicContact CZ-OE2 2.65Å; R516-E519 IonicContact NE-OE2 2.66Å; R516-E519 PolarHBondContact NE-OE2 3.11Å; R516-E519 IonicContact NH2-OE1 3.18Å; R516-E519 IonicContact NH2-OE2 2.65Å; R516-E519 PolarHBondContact NH2-OE2 3.06Å; R516-E519 PolarHBondContact O-N 2.84Å; R516-A520 PolarHBondContact O-N 3.41Å
517	F	62.3	Low	63.7	Low	37 Å²	37	68.9 Å²	68.9	16%	0.162	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-34.2	-179.8	-71.1	-41	0	0	0	112.5	L512 T515 E519 A520 L521 L530 A533 V534	L512-F517 HydrophobicContact CD2-CB 4.24Å; T515-F517 VanDerWaalsContact CB-CD2 3.43Å; T515-F517 HydrophobicContact CG2-CD2 3.88Å; T515-F517 HydrophobicContact CG2-CE2 3.78Å; T515-F517 PolarHBondContact O-N 3.04Å; T515-F517 WeakPolarHBondContact OG1-CD2 3.35Å; T515-F517 WeakPolarHBondContact OG1-CG 3.45Å; F517-E519 VanDerWaalsContact C-N 3.33Å; F517-E519 PolarHBondContact O-N 2.93Å; F517-A520 PolarHBondContact O-N 3.27Å; F517-L521 WeakPolarHBondContact O-CB 3.34Å; F517-L521 WeakPolarHBondContact O-CG 3.39Å; F517-L521 PolarHBondContact O-N 2.84Å; F517-L530 HydrophobicContact CD1-CB 4.05Å; F517-L530 HydrophobicContact CD1-CD2 3.83Å; F517-L530 HydrophobicContact CD1-CG 4.47Å; F517-L530 HydrophobicContact CE1-CB 4.42Å; F517-L530 HydrophobicContact CE1-CD2 3.87Å; F517-A533 HydrophobicContact CE1-CB 4.27Å; F517-A533 HydrophobicContact CE2-CB 3.79Å; F517-A533 HydrophobicContact CZ-CB 3.36Å; F517-V534 HydrophobicContact CB-CG2 4.31Å; F517-V534 HydrophobicContact CD2-CG2 3.25Å; F517-V534 HydrophobicContact CE2-CG2 3.8Å; F517-V534 HydrophobicContact CG-CG2 3.97Å
518	Y	58.6	Low	62.7	Low	20 Å²	20	70.3 Å²	70.3	8%	0.078	34%	0.34	C	S	.	.	H	α-helix	trans	-57.9	-45.9	176	-172.6	-93.9	0	0	0	111.9	R516 L521 Q522 F554 L582 I583	R516-Y518 PolarHBondContact O-N 2.89Å; Y518-L521 PolarHBondContact O-N 2.97Å; Y518-Q522 WeakPolarHBondContact O-CB 3.32Å; Y518-Q522 PolarHBondContact O-N 3.23Å; Y518-F554 AromaticContact CD2-CE2 3.95Å; Y518-F554 HydrophobicContact CD2-CE2 3.95Å; Y518-F554 AromaticContact CD2-CZ 3.89Å; Y518-F554 HydrophobicContact CD2-CZ 3.89Å; Y518-F554 HydrophobicContact CE2-CE2 4.02Å; Y518-F554 AromaticContact CE2-CZ 3.75Å; Y518-F554 HydrophobicContact CE2-CZ 3.75Å; Y518-L582 WeakPolarHBondContact CE1-O 3.47Å; Y518-I583 HydrophobicContact CE2-CG1 4.48Å
519	E	57.5	Low	61.9	Low	53 Å²	53	79 Å²	79	25%	0.248	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-47.1	177.4	-55	-162.9	96.7	0	0	112.1	R516 F517 L521 Q522 A523 R586	R516-E519 IonicContact CZ-OE2 2.65Å; R516-E519 IonicContact NE-OE2 2.66Å; R516-E519 PolarHBondContact NE-OE2 3.11Å; R516-E519 IonicContact NH2-OE1 3.18Å; R516-E519 IonicContact NH2-OE2 2.65Å; R516-E519 PolarHBondContact NH2-OE2 3.06Å; R516-E519 PolarHBondContact O-N 2.84Å; F517-E519 VanDerWaalsContact C-N 3.33Å; F517-E519 PolarHBondContact O-N 2.93Å; E519-L521 VanDerWaalsContact C-N 3.33Å; E519-L521 PolarHBondContact O-N 3.06Å; E519-Q522 PolarHBondContact O-N 3.28Å; E519-A523 WeakPolarHBondContact O-CB 3.33Å; E519-A523 PolarHBondContact O-N 3.14Å; E519-R586 IonicContact OE1-CZ 2.73Å; E519-R586 IonicContact OE1-NH1 2.67Å; E519-R586 PolarHBondContact OE1-NH1 3.11Å
520	A	59.1	Low	61.2	Low	37 Å²	37	80.4 Å²	80.4	31%	0.306	39%	0.385	S	S	.	.	H	α-helix	trans	-66.1	-34.5	179.3	0	0	0	0	0	112.7	R516 F517 C524 L530	R516-A520 PolarHBondContact O-N 3.41Å; F517-A520 PolarHBondContact O-N 3.27Å; A520-C524 PolarHBondContact O-N 2.74Å; A520-L530 HydrophobicContact CB-CD1 3.67Å; A520-L530 HydrophobicContact CB-CD2 4.27Å
521	L	58.3	Low	60.9	Low	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-72.2	-33.6	175.7	-73.2	176.8	0	0	0	112.5	L512 F517 Y518 E519 H525 L530 Y531	L512-L521 HydrophobicContact CD2-CD1 4.25Å; F517-L521 WeakPolarHBondContact O-CB 3.34Å; F517-L521 WeakPolarHBondContact O-CG 3.39Å; F517-L521 PolarHBondContact O-N 2.84Å; Y518-L521 PolarHBondContact O-N 2.97Å; E519-L521 VanDerWaalsContact C-N 3.33Å; E519-L521 PolarHBondContact O-N 3.06Å; L521-H525 PolarHBondContact O-CE1 3.04Å; L521-H525 PolarHBondContact O-ND1 2.59Å; L521-L530 HydrophobicContact CD2-CB 4Å; L521-L530 HydrophobicContact CD2-CD1 3.89Å; L521-L530 HydrophobicContact CG-CD1 4.31Å; L521-Y531 HydrophobicContact CD1-CD1 4.49Å; L521-Y531 HydrophobicContact CD1-CE1 3.78Å; L521-Y531 HydrophobicContact CD1-CE2 4.4Å; L521-Y531 HydrophobicContact CD2-CD2 3.9Å; L521-Y531 HydrophobicContact CD2-CE1 4.14Å; L521-Y531 HydrophobicContact CD2-CE2 3.23Å; L521-Y531 HydrophobicContact CG-CE2 4.44Å
522	Q	55.3	Low	60.8	Low	90 Å²	90	79.3 Å²	79.3	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-71.3	-39	174.1	-162.3	175.1	17.9	0	0	111.2	Y518 E519	Y518-Q522 WeakPolarHBondContact O-CB 3.32Å; Y518-Q522 PolarHBondContact O-N 3.23Å; E519-Q522 PolarHBondContact O-N 3.28Å
523	A	55.7	Low	60.9	Low	83 Å²	83	80.6 Å²	80.6	69%	0.686	39%	0.393	S	S	*	.	H	α-helix	trans	-71.6	-30	176.3	0	0	0	0	0	114.3	E519	E519-A523 WeakPolarHBondContact O-CB 3.33Å; E519-A523 PolarHBondContact O-N 3.14Å
524	C	52.2	Low	61.1	Low	65 Å²	65	75 Å²	75	44%	0.439	37%	0.372	S	S	.	.			trans	-149.4	83.3	-176.6	-99.2	0	0	0	0	114	A520 R526 K527	A520-C524 PolarHBondContact O-N 2.74Å; C524-R526 PolarHBondContact O-N 3.03Å; C524-K527 PolarHBondContact O-N 2.94Å
525	H	52.1	Low	61.7	Low	111 Å²	111	67.2 Å²	67.2	51%	0.514	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-1.1	179.9	-81.5	-9.9	0	0	0	118	L521 R551	L521-H525 PolarHBondContact O-CE1 3.04Å; L521-H525 PolarHBondContact O-ND1 2.59Å; H525-R551 PolarHBondContact O-NH2 2.82Å
526	R	52.8	Low	62.6	Low	231 Å²	231	70.1 Å²	70.1	87%	0.872	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-12.7	-174.8	-74.2	-170.1	175.2	-165.6	-0.2	116.7	C524 S528	C524-R526 PolarHBondContact O-N 3.03Å; R526-S528 PolarHBondContact O-N 3.43Å
527	K	57.3	Low	63.6	Low	132 Å²	132	64.2 Å²	64.2	57%	0.574	33%	0.327	S	S	*	.			trans	-77.3	111.1	-178.9	-69.2	-173.9	178.9	-178.8	0	111.5	C524 L530	C524-K527 PolarHBondContact O-N 2.94Å; K527-L530 HydrophobicContact CB-CD1 4.26Å; K527-L530 HydrophobicContact CB-CG 4.34Å
528	S	57.8	Low	64.3	Low	68 Å²	68	62.4 Å²	62.4	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-38.2	175.8	48.8	0	0	0	0	112.8	R526 L530 Y531 G532	R526-S528 PolarHBondContact O-N 3.43Å; S528-L530 PolarHBondContact O-N 3.25Å; S528-Y531 PolarHBondContact O-N 3.42Å; S528-G532 PolarHBondContact O-N 3.2Å
529	K	64.4	Low	65.3	Low	182 Å²	182	66.7 Å²	66.7	79%	0.791	34%	0.336	S	S	*	.	H	α-helix	trans	-49.2	-34.5	-177.2	-63	-166.3	175.3	-166.6	0	114.5	G532 A533	K529-G532 WeakPolarHBondContact O-CA 3.04Å; K529-G532 PolarHBondContact O-N 2.91Å; K529-G532 VanDerWaalsContact O-N 3.1Å; K529-A533 PolarHBondContact O-N 3.48Å
530	L	65.8	Low	66.1	Low	32 Å²	32	71.6 Å²	71.6	17%	0.168	36%	0.359	C	S	.	.	H	α-helix	trans	-67.6	-41.1	178.5	-55.4	174.4	0	0	0	112	F517 A520 L521 K527 S528 G532 V534	F517-L530 HydrophobicContact CD1-CB 4.05Å; F517-L530 HydrophobicContact CD1-CD2 3.83Å; F517-L530 HydrophobicContact CD1-CG 4.47Å; F517-L530 HydrophobicContact CE1-CB 4.42Å; F517-L530 HydrophobicContact CE1-CD2 3.87Å; A520-L530 HydrophobicContact CB-CD1 3.67Å; A520-L530 HydrophobicContact CB-CD2 4.27Å; L521-L530 HydrophobicContact CD2-CB 4Å; L521-L530 HydrophobicContact CD2-CD1 3.89Å; L521-L530 HydrophobicContact CG-CD1 4.31Å; K527-L530 HydrophobicContact CB-CD1 4.26Å; K527-L530 HydrophobicContact CB-CG 4.34Å; S528-L530 PolarHBondContact O-N 3.25Å; L530-G532 PolarHBondContact O-N 3.36Å; L530-V534 WeakPolarHBondContact O-CG2 3.18Å; L530-V534 PolarHBondContact O-N 3.25Å
531	Y	71.3	Confident	66.7	Low	8 Å²	8	73.1 Å²	73.1	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-72.5	-20.2	171	-63	-79.5	0	0	0	112.3	L521 S528 A535 P547 C550 R551 F554	L521-Y531 HydrophobicContact CD1-CD1 4.49Å; L521-Y531 HydrophobicContact CD1-CE1 3.78Å; L521-Y531 HydrophobicContact CD1-CE2 4.4Å; L521-Y531 HydrophobicContact CD2-CD2 3.9Å; L521-Y531 HydrophobicContact CD2-CE1 4.14Å; L521-Y531 HydrophobicContact CD2-CE2 3.23Å; L521-Y531 HydrophobicContact CG-CE2 4.44Å; S528-Y531 PolarHBondContact O-N 3.42Å; Y531-A535 VanDerWaalsContact O-CB 3.27Å; Y531-A535 WeakPolarHBondContact O-CB 3.44Å; Y531-A535 PolarHBondContact O-N 2.98Å; Y531-P547 WeakPolarHBondContact CB-O 3.31Å; Y531-P547 WeakPolarHBondContact O-CA 3.29Å; Y531-P547 WeakPolarHBondContact O-CB 3.32Å; Y531-C550 HydrophobicContact CD1-CB 4.12Å; Y531-R551 HydrophobicContact CD1-CB 3.77Å; Y531-R551 HydrophobicContact CD1-CG 4.4Å; Y531-R551 HydrophobicContact CD2-CB 4Å; Y531-R551 HydrophobicContact CD2-CG 4Å; Y531-R551 VanDerWaalsContact CE1-CA 3.47Å; Y531-R551 HydrophobicContact CE1-CB 3.79Å; Y531-R551 HydrophobicContact CE1-CG 4.05Å; Y531-R551 HydrophobicContact CE2-CB 4.02Å; Y531-R551 HydrophobicContact CE2-CG 3.61Å; Y531-R551 HydrophobicContact CG-CB 3.87Å; Y531-R551 HydrophobicContact CG-CG 4.37Å; Y531-F554 HydrophobicContact CE1-CB 4.29Å
532	G	73.4	Confident	67	Low	13 Å²	13	75.9 Å²	75.9	13%	0.134	39%	0.394	C	S	.	.	H	α-helix	trans	-54.9	-62.9	167.6	0	0	0	0	0	111.3	S528 K529 L530 V534 A535 E536	S528-G532 PolarHBondContact O-N 3.2Å; K529-G532 WeakPolarHBondContact O-CA 3.04Å; K529-G532 PolarHBondContact O-N 2.91Å; K529-G532 VanDerWaalsContact O-N 3.1Å; L530-G532 PolarHBondContact O-N 3.36Å; G532-V534 PolarHBondContact O-N 3.05Å; G532-A535 WeakPolarHBondContact O-CB 3.44Å; G532-A535 PolarHBondContact O-N 3.18Å; G532-A535 VanDerWaalsContact O-N 3.07Å; G532-E536 PolarHBondContact O-N 3.17Å
533	A	73.2	Confident	67.8	Low	30 Å²	30	74.2 Å²	74.2	25%	0.248	39%	0.386	C	S	.	.	H	α-helix	trans	-61	-39	179.5	0	0	0	0	0	113.5	F517 K529 A535 E536 Q537	F517-A533 HydrophobicContact CE1-CB 4.27Å; F517-A533 HydrophobicContact CE2-CB 3.79Å; F517-A533 HydrophobicContact CZ-CB 3.36Å; K529-A533 PolarHBondContact O-N 3.48Å; A533-A535 VanDerWaalsContact C-N 3.32Å; A533-A535 PolarHBondContact O-N 2.73Å; A533-E536 WeakPolarHBondContact O-CB 3.06Å; A533-E536 PolarHBondContact O-N 3Å; A533-E536 VanDerWaalsContact O-N 3.14Å; A533-Q537 PolarHBondContact O-N 3.38Å
534	V	74.8	Confident	67.9	Low	0 Å²	0	76 Å²	76	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-61.7	-39.6	173.6	174.7	0	0	0	0	111.9	F508 I511 L512 F517 L530 G532 E536 L538 C550	F508-V534 HydrophobicContact CD2-CG1 3.8Å; F508-V534 HydrophobicContact CE2-CG1 3.61Å; I511-V534 HydrophobicContact CG2-CB 4.44Å; I511-V534 HydrophobicContact CG2-CG1 4.01Å; I511-V534 HydrophobicContact CG2-CG2 4.39Å; L512-V534 HydrophobicContact CD2-CG1 4.44Å; L512-V534 HydrophobicContact CD2-CG2 3.93Å; F517-V534 HydrophobicContact CB-CG2 4.31Å; F517-V534 HydrophobicContact CD2-CG2 3.25Å; F517-V534 HydrophobicContact CE2-CG2 3.8Å; F517-V534 HydrophobicContact CG-CG2 3.97Å; L530-V534 WeakPolarHBondContact O-CG2 3.18Å; L530-V534 PolarHBondContact O-N 3.25Å; G532-V534 PolarHBondContact O-N 3.05Å; V534-E536 VanDerWaalsContact C-N 3.33Å; V534-L538 WeakPolarHBondContact O-CB 3.19Å; V534-L538 PolarHBondContact O-N 3.19Å; V534-L538 VanDerWaalsContact O-N 3.1Å; V534-C550 HydrophobicContact CG1-CB 4.4Å
535	A	76.8	Confident	69	Low	0 Å²	0	74 Å²	74	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-69.1	-34.1	174.8	0	0	0	0	0	111.5	Y531 G532 A533 L538 R539 P547	Y531-A535 VanDerWaalsContact O-CB 3.27Å; Y531-A535 WeakPolarHBondContact O-CB 3.44Å; Y531-A535 PolarHBondContact O-N 2.98Å; G532-A535 WeakPolarHBondContact O-CB 3.44Å; G532-A535 PolarHBondContact O-N 3.18Å; G532-A535 VanDerWaalsContact O-N 3.07Å; A533-A535 VanDerWaalsContact C-N 3.32Å; A533-A535 PolarHBondContact O-N 2.73Å; A535-L538 PolarHBondContact O-N 3.09Å; A535-R539 VanDerWaalsContact O-CG 3.3Å; A535-R539 WeakPolarHBondContact O-CG 3.33Å; A535-R539 PolarHBondContact O-N 2.83Å; A535-P547 HydrophobicContact CB-CB 4.48Å; A535-P547 HydrophobicContact CB-CG 3.87Å
536	E	79.3	Confident	70.2	Confident	88 Å²	88	71.4 Å²	71.4	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-48.8	175.7	-87.3	142.6	-165.6	0	0	112.8	G532 A533 V534 L538 R539 E540	G532-E536 PolarHBondContact O-N 3.17Å; A533-E536 WeakPolarHBondContact O-CB 3.06Å; A533-E536 PolarHBondContact O-N 3Å; A533-E536 VanDerWaalsContact O-N 3.14Å; V534-E536 VanDerWaalsContact C-N 3.33Å; E536-L538 VanDerWaalsContact C-N 3.27Å; E536-L538 PolarHBondContact O-N 3.15Å; E536-R539 VanDerWaalsContact CG-CZ 3.45Å; E536-R539 WeakPolarHBondContact O-CA 3.49Å; E536-R539 WeakPolarHBondContact O-CB 3.46Å; E536-R539 PolarHBondContact O-N 2.7Å; E536-R539 IonicContact OE1-CZ 2.94Å; E536-R539 IonicContact OE1-NH1 2.76Å; E536-R539 IonicContact OE1-NH2 3.3Å; E536-R539 PolarHBondContact OE1-NH2 3.32Å; E536-E540 WeakPolarHBondContact O-CG 3.41Å; E536-E540 PolarHBondContact O-N 2.68Å
537	Q	76.6	Confident	71.1	Confident	68 Å²	68	61.7 Å²	61.7	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-32.8	174.5	-67.8	-179.2	-51.8	0	0	112.3	I511 A533 E540 C541	I511-Q537 HydrophobicContact CD1-CB 4Å; I511-Q537 HydrophobicContact CG1-CB 4.32Å; I511-Q537 HydrophobicContact CG2-CB 4.16Å; A533-Q537 PolarHBondContact O-N 3.38Å; Q537-E540 PolarHBondContact O-N 3.36Å; Q537-C541 PolarHBondContact O-N 2.99Å; Q537-C541 PolarHBondContact O-SG 2.88Å
538	L	77.9	Confident	71.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-42.2	169.4	-84.4	177.4	0	0	0	112.4	W500 T507 F508 I511 V534 A535 E536 E540 C541 G542 F543 R545	W500-L538 HydrophobicContact CH2-CD1 4.25Å; W500-L538 HydrophobicContact CZ3-CD1 4.29Å; T507-L538 HydrophobicContact CG2-CD2 4.24Å; F508-L538 HydrophobicContact CB-CD1 4.27Å; F508-L538 HydrophobicContact CB-CD2 4.3Å; F508-L538 HydrophobicContact CD2-CD1 3.76Å; F508-L538 HydrophobicContact CG-CD1 4.43Å; I511-L538 HydrophobicContact CD1-CB 4.46Å; I511-L538 HydrophobicContact CD1-CD2 3.71Å; I511-L538 HydrophobicContact CD1-CG 3.78Å; V534-L538 WeakPolarHBondContact O-CB 3.19Å; V534-L538 PolarHBondContact O-N 3.19Å; V534-L538 VanDerWaalsContact O-N 3.1Å; A535-L538 PolarHBondContact O-N 3.09Å; E536-L538 VanDerWaalsContact C-N 3.27Å; E536-L538 PolarHBondContact O-N 3.15Å; L538-E540 VanDerWaalsContact C-N 3.31Å; L538-E540 PolarHBondContact O-N 2.93Å; L538-C541 CarbonylContact O-C 3.13Å; L538-C541 PolarHBondContact O-N 2.92Å; L538-G542 PolarHBondContact O-N 3.19Å; L538-F543 CarbonylContact C-O 3.5Å; L538-F543 VanDerWaalsContact C-O 3.24Å; L538-F543 HydrophobicContact CB-CB 4.35Å; L538-F543 HydrophobicContact CD2-CB 4.04Å; L538-F543 HydrophobicContact CD2-CD2 4.13Å; L538-F543 HydrophobicContact CD2-CG 4.48Å; L538-F543 CarbonylContact O-C 3.39Å; L538-F543 WeakPolarHBondContact O-CA 3.19Å; L538-F543 WeakPolarHBondContact O-CB 3.48Å; L538-F543 PolarHBondContact O-N 3.18Å; L538-R545 HydrophobicContact CD1-CB 4.13Å; L538-R545 HydrophobicContact CD1-CG 4.36Å
539	R	79.1	Confident	72.7	Confident	109 Å²	109	60.6 Å²	60.6	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-39.1	174.9	-70.3	-165.8	-54.9	-103.3	19.4	111.6	A535 E536 G542 F543 L544	A535-R539 VanDerWaalsContact O-CG 3.3Å; A535-R539 WeakPolarHBondContact O-CG 3.33Å; A535-R539 PolarHBondContact O-N 2.83Å; E536-R539 VanDerWaalsContact CG-CZ 3.45Å; E536-R539 WeakPolarHBondContact O-CA 3.49Å; E536-R539 WeakPolarHBondContact O-CB 3.46Å; E536-R539 PolarHBondContact O-N 2.7Å; E536-R539 IonicContact OE1-CZ 2.94Å; E536-R539 IonicContact OE1-NH1 2.76Å; E536-R539 IonicContact OE1-NH2 3.3Å; E536-R539 PolarHBondContact OE1-NH2 3.32Å; R539-G542 WeakPolarHBondContact O-CA 3.25Å; R539-G542 PolarHBondContact O-N 2.91Å; R539-F543 PolarHBondContact N-O 3.32Å; R539-L544 HydrophobicContact CB-CD2 4.28Å; R539-L544 HydrophobicContact CG-CD2 3.96Å
540	E	74.8	Confident	73.2	Confident	157 Å²	157	51.9 Å²	51.9	73%	0.734	28%	0.277	S	S	*	.	H	α-helix	trans	-65.5	-37.3	175.2	-70.2	167.4	171.6	0	0	111.9	E536 Q537 L538 G542	E536-E540 WeakPolarHBondContact O-CG 3.41Å; E536-E540 PolarHBondContact O-N 2.68Å; Q537-E540 PolarHBondContact O-N 3.36Å; L538-E540 VanDerWaalsContact C-N 3.31Å; L538-E540 PolarHBondContact O-N 2.93Å; E540-G542 PolarHBondContact O-N 3.1Å; E540-G542 VanDerWaalsContact O-N 3.16Å
541	C	71.3	Confident	73.6	Confident	69 Å²	69	53.7 Å²	53.7	47%	0.466	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	10.2	169.1	-62.9	0	0	0	0	114.2	T507 Q537 L538 F543	T507-C541 HydrophobicContact CG2-CB 4.1Å; Q537-C541 PolarHBondContact O-N 2.99Å; Q537-C541 PolarHBondContact O-SG 2.88Å; L538-C541 CarbonylContact O-C 3.13Å; L538-C541 PolarHBondContact O-N 2.92Å; C541-F543 VanDerWaalsContact C-N 3.3Å; C541-F543 HydrophobicContact CB-CD2 3.94Å; C541-F543 HydrophobicContact CB-CE2 4.35Å; C541-F543 WeakPolarHBondContact O-CD2 3.42Å; C541-F543 PolarHBondContact O-N 3.32Å
542	G	65.4	Low	73.8	Confident	57 Å²	57	57.6 Å²	57.6	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-3	180	0	0	0	0	0	115.7	L538 R539 E540 L544	L538-G542 PolarHBondContact O-N 3.19Å; R539-G542 WeakPolarHBondContact O-CA 3.25Å; R539-G542 PolarHBondContact O-N 2.91Å; E540-G542 PolarHBondContact O-N 3.1Å; E540-G542 VanDerWaalsContact O-N 3.16Å; G542-L544 PolarHBondContact O-N 3.47Å
543	F	71.3	Confident	74.1	Confident	55 Å²	55	58.2 Å²	58.2	24%	0.241	31%	0.305	C	S	.	.			trans	-93.7	94.4	-177.9	-60.5	-60.9	0	0	0	111.4	E504 T507 L538 R539 C541 R545	E504-F543 HydrophobicContact CB-CD1 4.41Å; E504-F543 HydrophobicContact CG-CD1 3.65Å; E504-F543 HydrophobicContact CG-CE1 3.74Å; E504-F543 HydrophobicContact CG-CG 4.41Å; T507-F543 HydrophobicContact CG2-CD2 4.18Å; T507-F543 HydrophobicContact CG2-CE2 4.06Å; L538-F543 CarbonylContact C-O 3.5Å; L538-F543 VanDerWaalsContact C-O 3.24Å; L538-F543 HydrophobicContact CB-CB 4.35Å; L538-F543 HydrophobicContact CD2-CB 4.04Å; L538-F543 HydrophobicContact CD2-CD2 4.13Å; L538-F543 HydrophobicContact CD2-CG 4.48Å; L538-F543 CarbonylContact O-C 3.39Å; L538-F543 WeakPolarHBondContact O-CA 3.19Å; L538-F543 WeakPolarHBondContact O-CB 3.48Å; L538-F543 PolarHBondContact O-N 3.18Å; R539-F543 PolarHBondContact N-O 3.32Å; C541-F543 VanDerWaalsContact C-N 3.3Å; C541-F543 HydrophobicContact CB-CD2 3.94Å; C541-F543 HydrophobicContact CB-CE2 4.35Å; C541-F543 WeakPolarHBondContact O-CD2 3.42Å; C541-F543 PolarHBondContact O-N 3.32Å; F543-R545 VanDerWaalsContact C-N 3.32Å; F543-R545 PolarHBondContact O-N 2.9Å
544	L	59.1	Low	74.2	Confident	122 Å²	122	57.5 Å²	57.5	64%	0.639	30%	0.297	S	S	*	.			trans	-70.1	80.4	-178.6	-60.8	-178	0	0	0	112.8	R539 G542	R539-L544 HydrophobicContact CB-CD2 4.28Å; R539-L544 HydrophobicContact CG-CD2 3.96Å; G542-L544 PolarHBondContact O-N 3.47Å
545	R	74.6	Confident	74.2	Confident	22 Å²	22	63 Å²	63	8%	0.083	32%	0.321	C	S	.	.			trans	-115.2	149.9	175.7	-58.7	-58.4	-171.8	159.6	1.4	111.1	G497 H499 W500 E504 L538 F543	G497-R545 PolarHBondContact O-NH1 2.85Å; H499-R545 PolarHBondContact O-NH2 3.37Å; W500-R545 HydrophobicContact CH2-CB 4.3Å; W500-R545 HydrophobicContact CH2-CG 3.96Å; W500-R545 HydrophobicContact CZ2-CG 4.28Å; W500-R545 HydrophobicContact CZ3-CG 4.29Å; E504-R545 IonicContact OE1-CZ 3.18Å; E504-R545 VanDerWaalsContact OE1-CZ 3.27Å; E504-R545 IonicContact OE1-NE 3.94Å; E504-R545 PolarHBondContact OE1-NE 2.8Å; E504-R545 IonicContact OE1-NH2 3.33Å; E504-R545 PolarHBondContact OE1-NH2 2.81Å; E504-R545 IonicContact OE2-CZ 2.77Å; E504-R545 IonicContact OE2-NH2 3.97Å; E504-R545 PolarHBondContact OE2-NH2 3.39Å; L538-R545 HydrophobicContact CD1-CB 4.13Å; L538-R545 HydrophobicContact CD1-CG 4.36Å; F543-R545 VanDerWaalsContact C-N 3.32Å; F543-R545 PolarHBondContact O-N 2.9Å
546	T	76.8	Confident	74.1	Confident	56 Å²	56	66.1 Å²	66.1	34%	0.344	34%	0.342	S	S	.	.			trans	-92.5	162.1	178.3	76.9	0	0	0	0	112.5	E548 Q549 C550	T546-E548 PolarHBondContact O-N 3.18Å; T546-Q549 VanDerWaalsContact N-OE1 3.15Å; T546-Q549 WeakPolarHBondContact O-CB 3.43Å; T546-Q549 PolarHBondContact O-N 2.9Å; T546-Q549 VanDerWaalsContact O-N 3.11Å; T546-Q549 WeakPolarHBondContact OG1-CG 3.27Å; T546-Q549 PolarHBondContact OG1-N 3.45Å; T546-Q549 VanDerWaalsContact OG1-N 3.14Å; T546-C550 PolarHBondContact O-N 3.35Å; T546-C550 PolarHBondContact O-SG 3.26Å
547	P	72.4	Confident	73.8	Confident	28 Å²	28	62.7 Å²	62.7	18%	0.182	33%	0.327	C	S	.	.	H	α-helix	trans	-56	-38.2	174.3	-27.3	38.3	0	0	0	112.7	Y531 A535 C550 R551	Y531-P547 WeakPolarHBondContact CB-O 3.31Å; Y531-P547 WeakPolarHBondContact O-CA 3.29Å; Y531-P547 WeakPolarHBondContact O-CB 3.32Å; A535-P547 HydrophobicContact CB-CB 4.48Å; A535-P547 HydrophobicContact CB-CG 3.87Å; P547-C550 WeakPolarHBondContact O-CB 3.47Å; P547-C550 PolarHBondContact O-N 2.89Å; P547-R551 VanDerWaalsContact O-CB 3.31Å; P547-R551 WeakPolarHBondContact O-CB 3.46Å; P547-R551 PolarHBondContact O-N 2.9Å
548	E	70.5	Confident	73.4	Confident	106 Å²	106	61.3 Å²	61.3	50%	0.495	32%	0.32	S	S	.	.	H	α-helix	trans	-70.3	-37	178.5	-70.9	57	-126	0	0	111.5	T546 R551 T552	T546-E548 PolarHBondContact O-N 3.18Å; E548-R551 PolarHBondContact O-N 3.32Å; E548-T552 WeakPolarHBondContact O-CB 3.31Å; E548-T552 WeakPolarHBondContact O-CG2 3.49Å; E548-T552 PolarHBondContact O-N 3.13Å; E548-T552 PolarHBondContact O-OG1 3.33Å
549	Q	77.6	Confident	73	Confident	70 Å²	70	66.7 Å²	66.7	33%	0.327	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-43.2	172	-71	171.9	3.2	0	0	111.1	W500 T546 R551 T552 K553	W500-Q549 HydrophobicContact CZ2-CB 4.4Å; T546-Q549 VanDerWaalsContact N-OE1 3.15Å; T546-Q549 WeakPolarHBondContact O-CB 3.43Å; T546-Q549 PolarHBondContact O-N 2.9Å; T546-Q549 VanDerWaalsContact O-N 3.11Å; T546-Q549 WeakPolarHBondContact OG1-CG 3.27Å; T546-Q549 PolarHBondContact OG1-N 3.45Å; T546-Q549 VanDerWaalsContact OG1-N 3.14Å; Q549-R551 PolarHBondContact O-N 2.99Å; Q549-T552 WeakPolarHBondContact CA-OG1 3.47Å; Q549-T552 PolarHBondContact O-N 2.9Å; Q549-T552 PolarHBondContact O-OG1 3.05Å; Q549-T552 VanDerWaalsContact O-OG1 3.06Å; Q549-K553 WeakPolarHBondContact O-CB 3.47Å; Q549-K553 PolarHBondContact O-N 3.17Å
550	C	75.3	Confident	72.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-46.5	173.1	-65.1	0	0	0	0	111.4	F508 Y531 V534 T546 P547 K553 F554	F508-C550 HydrophobicContact CE2-CB 3.73Å; F508-C550 HydrophobicContact CZ-CB 4.3Å; F508-C550 WeakPolarHBondContact CZ-O 3.39Å; Y531-C550 HydrophobicContact CD1-CB 4.12Å; V534-C550 HydrophobicContact CG1-CB 4.4Å; T546-C550 PolarHBondContact O-N 3.35Å; T546-C550 PolarHBondContact O-SG 3.26Å; P547-C550 WeakPolarHBondContact O-CB 3.47Å; P547-C550 PolarHBondContact O-N 2.89Å; C550-K553 PolarHBondContact O-N 3.07Å; C550-F554 WeakPolarHBondContact O-CB 3.38Å; C550-F554 PolarHBondContact O-N 3.17Å
551	R	74.4	Confident	71.9	Confident	70 Å²	70	56.8 Å²	56.8	26%	0.264	31%	0.306	S	S	.	.	H	α-helix	trans	-67	-37.4	179.4	-172.2	172	-169.9	-151.4	7.3	113.5	H525 Y531 P547 E548 Q549 K555	H525-R551 PolarHBondContact O-NH2 2.82Å; Y531-R551 HydrophobicContact CD1-CB 3.77Å; Y531-R551 HydrophobicContact CD1-CG 4.4Å; Y531-R551 HydrophobicContact CD2-CB 4Å; Y531-R551 HydrophobicContact CD2-CG 4Å; Y531-R551 VanDerWaalsContact CE1-CA 3.47Å; Y531-R551 HydrophobicContact CE1-CB 3.79Å; Y531-R551 HydrophobicContact CE1-CG 4.05Å; Y531-R551 HydrophobicContact CE2-CB 4.02Å; Y531-R551 HydrophobicContact CE2-CG 3.61Å; Y531-R551 HydrophobicContact CG-CB 3.87Å; Y531-R551 HydrophobicContact CG-CG 4.37Å; P547-R551 VanDerWaalsContact O-CB 3.31Å; P547-R551 WeakPolarHBondContact O-CB 3.46Å; P547-R551 PolarHBondContact O-N 2.9Å; E548-R551 PolarHBondContact O-N 3.32Å; Q549-R551 PolarHBondContact O-N 2.99Å; R551-K555 WeakPolarHBondContact O-CG 3.49Å; R551-K555 PolarHBondContact O-N 2.88Å
552	T	75.7	Confident	71.7	Confident	89 Å²	89	60.1 Å²	60.1	55%	0.546	31%	0.309	S	S	.	.	H	α-helix	trans	-75.2	-40.1	177	47.5	0	0	0	0	111.6	E548 Q549 K555 S556	E548-T552 WeakPolarHBondContact O-CB 3.31Å; E548-T552 WeakPolarHBondContact O-CG2 3.49Å; E548-T552 PolarHBondContact O-N 3.13Å; E548-T552 PolarHBondContact O-OG1 3.33Å; Q549-T552 WeakPolarHBondContact CA-OG1 3.47Å; Q549-T552 PolarHBondContact O-N 2.9Å; Q549-T552 PolarHBondContact O-OG1 3.05Å; Q549-T552 VanDerWaalsContact O-OG1 3.06Å; T552-K555 PolarHBondContact O-N 3.27Å; T552-S556 WeakPolarHBondContact O-CB 3.46Å; T552-S556 PolarHBondContact O-N 3.45Å
553	K	78.8	Confident	71.7	Confident	26 Å²	26	62.5 Å²	62.5	11%	0.113	30%	0.303	C	S	.	.	H	α-helix	trans	-55.3	-56	169	177.9	67.3	163.8	-173	0	111	W500 T505 F508 Q549 C550 K555 S556 L557	W500-K553 VanDerWaalsContact CB-NZ 3.28Å; W500-K553 HydrophobicContact CD2-CD 3.63Å; W500-K553 VanDerWaalsContact CD2-CE 3.48Å; W500-K553 HydrophobicContact CD2-CG 3.97Å; W500-K553 HydrophobicContact CE3-CD 4.12Å; W500-K553 HydrophobicContact CE3-CG 4.16Å; W500-K553 HydrophobicContact CG-CD 3.86Å; W500-K553 HydrophobicContact CH2-CB 4.02Å; W500-K553 HydrophobicContact CH2-CG 3.9Å; W500-K553 HydrophobicContact CZ2-CB 3.49Å; W500-K553 VanDerWaalsContact CZ2-CB 3.49Å; W500-K553 HydrophobicContact CZ2-CD 4.19Å; W500-K553 HydrophobicContact CZ2-CG 3.69Å; W500-K553 HydrophobicContact CZ3-CG 4.13Å; T505-K553 PolarHBondContact OG1-NZ 3.37Å; F508-K553 HydrophobicContact CD1-CG 3.87Å; F508-K553 HydrophobicContact CE1-CB 4.18Å; F508-K553 HydrophobicContact CE1-CG 3.54Å; F508-K553 HydrophobicContact CZ-CB 4.39Å; F508-K553 HydrophobicContact CZ-CG 4.22Å; Q549-K553 WeakPolarHBondContact O-CB 3.47Å; Q549-K553 PolarHBondContact O-N 3.17Å; C550-K553 PolarHBondContact O-N 3.07Å; K553-K555 PolarHBondContact O-N 2.8Å; K553-S556 WeakPolarHBondContact O-CA 3.34Å; K553-S556 WeakPolarHBondContact O-CB 3.41Å; K553-S556 PolarHBondContact O-N 3.46Å; K553-L557 HydrophobicContact CD-CD1 4.38Å; K553-L557 HydrophobicContact CD-CD2 4.07Å; K553-L557 HydrophobicContact CD-CG 4.13Å; K553-L557 HydrophobicContact CG-CD1 4.41Å; K553-L557 HydrophobicContact CG-CG 4.37Å; K553-L557 WeakPolarHBondContact O-CG 3.39Å; K553-L557 PolarHBondContact O-N 2.98Å
554	F	76.6	Confident	71	Confident	16 Å²	16	61.5 Å²	61.5	7%	0.07	30%	0.301	C	S	.	.	H	α-helix	trans	-53.1	-48.7	179	-175.3	-105.7	0	0	0	112.6	F508 L512 Y518 Y531 C550 S556 L557 Q558	F508-F554 HydrophobicContact CE1-CB 4.49Å; F508-F554 HydrophobicContact CZ-CB 4.14Å; L512-F554 HydrophobicContact CD1-CD2 3.81Å; L512-F554 HydrophobicContact CD1-CE2 4.23Å; Y518-F554 AromaticContact CD2-CE2 3.95Å; Y518-F554 HydrophobicContact CD2-CE2 3.95Å; Y518-F554 AromaticContact CD2-CZ 3.89Å; Y518-F554 HydrophobicContact CD2-CZ 3.89Å; Y518-F554 HydrophobicContact CE2-CE2 4.02Å; Y518-F554 AromaticContact CE2-CZ 3.75Å; Y518-F554 HydrophobicContact CE2-CZ 3.75Å; Y531-F554 HydrophobicContact CE1-CB 4.29Å; C550-F554 WeakPolarHBondContact O-CB 3.38Å; C550-F554 PolarHBondContact O-N 3.17Å; F554-S556 PolarHBondContact O-N 2.9Å; F554-L557 PolarHBondContact O-N 2.98Å; F554-Q558 WeakPolarHBondContact O-CB 3.36Å; F554-Q558 PolarHBondContact O-N 3.38Å
555	K	73.2	Confident	70.8	Confident	116 Å²	116	60.1 Å²	60.1	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-40.5	175.2	-75.4	177.5	176.6	-175.3	0	113	R551 T552 K553 Q558 K559	R551-K555 WeakPolarHBondContact O-CG 3.49Å; R551-K555 PolarHBondContact O-N 2.88Å; T552-K555 PolarHBondContact O-N 3.27Å; K553-K555 PolarHBondContact O-N 2.8Å; K555-Q558 PolarHBondContact O-N 3.24Å; K555-K559 WeakPolarHBondContact O-CB 3.16Å; K555-K559 PolarHBondContact O-N 2.95Å
556	S	76.1	Confident	70.2	Confident	65 Å²	65	66.1 Å²	66.1	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-43.4	178.1	-172.3	0	0	0	0	112	T552 K553 F554 K559 S560	T552-S556 WeakPolarHBondContact O-CB 3.46Å; T552-S556 PolarHBondContact O-N 3.45Å; K553-S556 WeakPolarHBondContact O-CA 3.34Å; K553-S556 WeakPolarHBondContact O-CB 3.41Å; K553-S556 PolarHBondContact O-N 3.46Å; F554-S556 PolarHBondContact O-N 2.9Å; S556-K559 PolarHBondContact O-N 3.37Å; S556-S560 WeakPolarHBondContact O-CB 3.24Å; S556-S560 PolarHBondContact O-N 2.93Å; S556-S560 PolarHBondContact O-OG 3.41Å
557	L	72.1	Confident	69	Low	16 Å²	16	66.3 Å²	66.3	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-46.3	173.9	-59.5	-166.1	0	0	0	111	T505 L509 K553 F554 K559 S560 Y561 F575 M579	T505-L557 HydrophobicContact CG2-CD1 4.36Å; L509-L557 HydrophobicContact CD2-CD1 3.95Å; K553-L557 HydrophobicContact CD-CD1 4.38Å; K553-L557 HydrophobicContact CD-CD2 4.07Å; K553-L557 HydrophobicContact CD-CG 4.13Å; K553-L557 HydrophobicContact CG-CD1 4.41Å; K553-L557 HydrophobicContact CG-CG 4.37Å; K553-L557 WeakPolarHBondContact O-CG 3.39Å; K553-L557 PolarHBondContact O-N 2.98Å; F554-L557 PolarHBondContact O-N 2.98Å; L557-K559 VanDerWaalsContact C-N 3.35Å; L557-K559 PolarHBondContact O-N 3.18Å; L557-S560 PolarHBondContact O-N 3.14Å; L557-Y561 WeakPolarHBondContact O-CB 3.3Å; L557-Y561 PolarHBondContact O-N 2.94Å; L557-F575 HydrophobicContact CD1-CE2 3.85Å; L557-F575 HydrophobicContact CD1-CZ 3.83Å; L557-F575 HydrophobicContact CD2-CE2 4.39Å; L557-F575 HydrophobicContact CD2-CZ 3.73Å; L557-F575 HydrophobicContact CG-CZ 4.24Å; L557-M579 HydrophobicContact CB-CE 3.97Å; L557-M579 HydrophobicContact CB-SD 3.95Å; L557-M579 HydrophobicContact CD1-SD 3.74Å
558	Q	69.4	Low	67.8	Low	38 Å²	38	70.3 Å²	70.3	18%	0.178	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-38.9	177.9	-162.5	-173.6	51.6	0	0	112.4	F554 K555 R562	F554-Q558 WeakPolarHBondContact O-CB 3.36Å; F554-Q558 PolarHBondContact O-N 3.38Å; K555-Q558 PolarHBondContact O-N 3.24Å; Q558-R562 VanDerWaalsContact CD-NH2 3.28Å; Q558-R562 WeakPolarHBondContact O-CB 3.35Å; Q558-R562 VanDerWaalsContact O-CG 3.28Å; Q558-R562 WeakPolarHBondContact O-CG 3.42Å; Q558-R562 PolarHBondContact O-N 3.4Å
559	K	68.5	Low	66.1	Low	113 Å²	113	73.2 Å²	73.2	49%	0.491	37%	0.368	S	S	.	.	H	α-helix	trans	-66.2	-40.2	174.4	-165.2	-172.2	-166.6	-169.4	0	111.7	E414 K555 S556 L557 K563	E414-K559 WeakPolarHBondContact OE1-CE 3.5Å; E414-K559 IonicContact OE1-NZ 3.27Å; E414-K559 PolarHBondContact OE1-NZ 2.65Å; K555-K559 WeakPolarHBondContact O-CB 3.16Å; K555-K559 PolarHBondContact O-N 2.95Å; S556-K559 PolarHBondContact O-N 3.37Å; L557-K559 VanDerWaalsContact C-N 3.35Å; L557-K559 PolarHBondContact O-N 3.18Å; K559-K563 WeakPolarHBondContact O-CG 3.24Å; K559-K563 PolarHBondContact O-N 2.74Å; K559-K563 VanDerWaalsContact O-N 3.15Å
560	S	66.3	Low	64.6	Low	42 Å²	42	73.7 Å²	73.7	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-69.9	-46.2	-179.6	-57.6	0	0	0	0	111.3	S556 L557 R562 K563 V564	S556-S560 WeakPolarHBondContact O-CB 3.24Å; S556-S560 PolarHBondContact O-N 2.93Å; S556-S560 PolarHBondContact O-OG 3.41Å; L557-S560 PolarHBondContact O-N 3.14Å; S560-R562 PolarHBondContact O-N 3.44Å; S560-K563 WeakPolarHBondContact O-CB 3.46Å; S560-K563 PolarHBondContact O-N 2.72Å; S560-K563 VanDerWaalsContact O-N 3.17Å; S560-V564 PolarHBondContact O-N 3.02Å
561	Y	65.6	Low	62.9	Low	16 Å²	16	81.1 Å²	81.1	6%	0.063	41%	0.408	C	S	.	.	H	α-helix	trans	-55.4	-47.2	172	172.9	-90.4	0	0	0	111.9	L557 K563 V564 K565 D580 I583	L557-Y561 WeakPolarHBondContact O-CB 3.3Å; L557-Y561 PolarHBondContact O-N 2.94Å; Y561-K563 VanDerWaalsContact C-N 3.33Å; Y561-K563 PolarHBondContact O-N 2.74Å; Y561-V564 PolarHBondContact O-N 2.76Å; Y561-V564 VanDerWaalsContact O-N 3.15Å; Y561-K565 HydrophobicContact CE1-CB 4.48Å; Y561-K565 HydrophobicContact CE1-CD 3.7Å; Y561-K565 WeakPolarHBondContact O-CB 3.31Å; Y561-K565 PolarHBondContact O-N 3.14Å; Y561-K565 WeakPolarHBondContact OH-CD 3.4Å; Y561-K565 PolarHBondContact OH-NZ 3.2Å; Y561-D580 HydrophobicContact CE2-CB 3.97Å; Y561-D580 VanDerWaalsContact CE2-OD1 3.32Å; Y561-D580 WeakPolarHBondContact CE2-OD1 3.35Å; Y561-D580 PolarHBondContact OH-OD1 2.92Å; Y561-I583 HydrophobicContact CD1-CD1 3.42Å; Y561-I583 VanDerWaalsContact CD1-CD1 3.42Å; Y561-I583 HydrophobicContact CD2-CD1 4.05Å; Y561-I583 HydrophobicContact CE1-CB 4.48Å; Y561-I583 HydrophobicContact CE1-CD1 3.54Å; Y561-I583 HydrophobicContact CE1-CG2 3.99Å; Y561-I583 HydrophobicContact CE2-CD1 4.15Å; Y561-I583 HydrophobicContact CG-CD1 3.69Å
562	R	66.9	Low	61.3	Low	139 Å²	139	82.2 Å²	82.2	53%	0.525	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-35.5	176.8	-72.8	176.2	-169.4	-179.2	6.8	113.4	Q558 S560 N566	Q558-R562 VanDerWaalsContact CD-NH2 3.28Å; Q558-R562 WeakPolarHBondContact O-CB 3.35Å; Q558-R562 VanDerWaalsContact O-CG 3.28Å; Q558-R562 WeakPolarHBondContact O-CG 3.42Å; Q558-R562 PolarHBondContact O-N 3.4Å; S560-R562 PolarHBondContact O-N 3.44Å; R562-N566 WeakPolarHBondContact O-CB 3.38Å; R562-N566 VanDerWaalsContact O-CG 3.24Å; R562-N566 PolarHBondContact O-N 2.85Å; R562-N566 PolarHBondContact O-OD1 2.83Å
563	K	63.7	Low	60.2	Low	107 Å²	107	80.6 Å²	80.6	47%	0.465	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-38.1	174	-73.4	174.9	-177.3	175.3	0	112.4	E414 K559 S560 Y561	E414-K563 IonicContact OE1-NZ 3.08Å; E414-K563 PolarHBondContact OE1-NZ 3.12Å; E414-K563 IonicContact OE2-NZ 3.9Å; E414-K563 PolarHBondContact OE2-NZ 3.09Å; K559-K563 WeakPolarHBondContact O-CG 3.24Å; K559-K563 PolarHBondContact O-N 2.74Å; K559-K563 VanDerWaalsContact O-N 3.15Å; S560-K563 WeakPolarHBondContact O-CB 3.46Å; S560-K563 PolarHBondContact O-N 2.72Å; S560-K563 VanDerWaalsContact O-N 3.17Å; Y561-K563 VanDerWaalsContact C-N 3.33Å; Y561-K563 PolarHBondContact O-N 2.74Å
564	V	57.3	Low	59	Low	34 Å²	34	81.5 Å²	81.5	21%	0.206	43%	0.43	C	S	.	.	H	α-helix	trans	-70.8	-45	175.8	171.1	0	0	0	0	111	S560 Y561 N566 G567 H568 L570	S560-V564 PolarHBondContact O-N 3.02Å; Y561-V564 PolarHBondContact O-N 2.76Å; Y561-V564 VanDerWaalsContact O-N 3.15Å; V564-N566 PolarHBondContact O-N 3.15Å; V564-G567 CarbonylContact O-C 3.57Å; V564-G567 VanDerWaalsContact O-C 3.3Å; V564-G567 PolarHBondContact O-N 3.07Å; V564-H568 PolarHBondContact O-N 3.48Å; V564-L570 HydrophobicContact CG1-CB 4.38Å; V564-L570 HydrophobicContact CG1-CD1 3.69Å; V564-L570 HydrophobicContact CG2-CD1 4.32Å
565	K	55.8	Low	58.3	Low	94 Å²	94	82.1 Å²	82.1	41%	0.409	43%	0.432	S	S	.	.	H	α-helix	trans	-59.7	-33.1	-179.5	-163	161.8	-165	161.8	0	113	Y561 G567 H568 N584	Y561-K565 HydrophobicContact CE1-CB 4.48Å; Y561-K565 HydrophobicContact CE1-CD 3.7Å; Y561-K565 WeakPolarHBondContact O-CB 3.31Å; Y561-K565 PolarHBondContact O-N 3.14Å; Y561-K565 WeakPolarHBondContact OH-CD 3.4Å; Y561-K565 PolarHBondContact OH-NZ 3.2Å; K565-G567 VanDerWaalsContact C-N 3.25Å; K565-G567 PolarHBondContact O-N 3.26Å; K565-H568 WeakPolarHBondContact CA-NE2 3.26Å; K565-H568 PolarHBondContact O-CD2 3.34Å; K565-N584 PolarHBondContact NZ-OD1 2.93Å
566	N	62	Low	57.9	Low	148 Å²	148	80.1 Å²	80.1	79%	0.791	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	14.2	178	-63.3	8	0	0	0	113.5	R562 V564	R562-N566 WeakPolarHBondContact O-CB 3.38Å; R562-N566 VanDerWaalsContact O-CG 3.24Å; R562-N566 PolarHBondContact O-N 2.85Å; R562-N566 PolarHBondContact O-OD1 2.83Å; V564-N566 PolarHBondContact O-N 3.15Å
567	G	51.7	Low	57.2	Low	59 Å²	59	83.5 Å²	83.5	61%	0.608	43%	0.429	S	S	*	.	S	Bend	trans	-170	57.7	-177.4	0	0	0	0	0	113.9	V564 K565	V564-G567 CarbonylContact O-C 3.57Å; V564-G567 VanDerWaalsContact O-C 3.3Å; V564-G567 PolarHBondContact O-N 3.07Å; K565-G567 VanDerWaalsContact C-N 3.25Å; K565-G567 PolarHBondContact O-N 3.26Å
568	H	47.1	Very low	56.8	Low	113 Å²	113	84.1 Å²	84.1	52%	0.523	43%	0.431	S	S	.	.			trans	-80.8	127.7	-175.2	-87.6	-72.8	0	0	0	114.9	V564 K565	V564-H568 PolarHBondContact O-N 3.48Å; K565-H568 WeakPolarHBondContact CA-NE2 3.26Å; K565-H568 PolarHBondContact O-CD2 3.34Å
569	M	34.8	Very low	56.4	Low	167 Å²	167	82.5 Å²	82.5	82%	0.823	42%	0.424	S	S	*	.				-132.6	127	100.4	-110.3	-167.7	79.9	0	0	107.3
570	L	45.8	Very low	56.2	Low	79 Å²	79	79.9 Å²	79.9	41%	0.414	42%	0.415	S	S	.	.			trans	-159.2	99.2	177.8	-143.4	174.4	0	0	0	109.9	V564 C573 Y576	V564-L570 HydrophobicContact CG1-CB 4.38Å; V564-L570 HydrophobicContact CG1-CD1 3.69Å; V564-L570 HydrophobicContact CG2-CD1 4.32Å; L570-C573 HydrophobicContact CD2-CB 4.48Å; L570-Y576 HydrophobicContact CD1-CD2 4.17Å; L570-Y576 HydrophobicContact CD1-CE2 4.11Å; L570-Y576 HydrophobicContact CD2-CD2 4.33Å
571	E	39.7	Very low	56.3	Low	157 Å²	157	80.4 Å²	80.4	73%	0.734	42%	0.422	S	S	*	.			trans	-94.4	144.4	174.5	-68.6	-168.6	113.5	0	0	112.1	C573	E571-C573 PolarHBondContact O-N 2.86Å; E571-C573 VanDerWaalsContact O-N 3.08Å
572	S	40.4	Very low	56.1	Low	92 Å²	92	80.2 Å²	80.2	64%	0.643	42%	0.422	S	S	*	.			trans	54.4	25.9	155.2	63.2	0	0	0	0	121.2	A574	S572-A574 PolarHBondContact O-N 3.2Å
573	C	52.2	Low	55.8	Low	56 Å²	56	75 Å²	75	38%	0.378	40%	0.404	S	S	.	.			trans	-73.6	118	152.3	-178.6	0	0	0	0	109.5	L570 E571 F575 Y576 K577	L570-C573 HydrophobicContact CD2-CB 4.48Å; E571-C573 PolarHBondContact O-N 2.86Å; E571-C573 VanDerWaalsContact O-N 3.08Å; C573-F575 VanDerWaalsContact C-N 3.3Å; C573-F575 PolarHBondContact O-N 2.73Å; C573-Y576 HydrophobicContact CB-CD2 3.94Å; C573-Y576 PolarHBondContact O-N 3.02Å; C573-K577 PolarHBondContact O-N 2.76Å
574	A	54.7	Low	55.5	Low	44 Å²	44	73.3 Å²	73.3	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-53.6	-43.8	-175.7	0	0	0	0	0	112.9	S572 Y576 K577 E578	S572-A574 PolarHBondContact O-N 3.2Å; A574-Y576 VanDerWaalsContact C-N 3.26Å; A574-Y576 PolarHBondContact O-N 3.43Å; A574-K577 CarbonylContact O-C 3.55Å; A574-K577 WeakPolarHBondContact O-CA 3.4Å; A574-K577 WeakPolarHBondContact O-CB 3.47Å; A574-K577 PolarHBondContact O-N 2.95Å; A574-E578 WeakPolarHBondContact O-CG 3.44Å; A574-E578 PolarHBondContact O-N 3.2Å
575	F	60.2	Low	55.5	Low	29 Å²	29	75.9 Å²	75.9	13%	0.127	42%	0.42	C	S	.	.	H	α-helix	trans	-54.6	-38	176.2	165.4	-99.8	0	0	0	113.6	Y502 T505 L509 L557 C573 M579	Y502-F575 HydrophobicContact CE2-CB 4.25Å; T505-F575 HydrophobicContact CG2-CD2 3.78Å; T505-F575 HydrophobicContact CG2-CE2 3.41Å; T505-F575 VanDerWaalsContact CG2-CE2 3.41Å; T505-F575 HydrophobicContact CG2-CZ 4.37Å; L509-F575 HydrophobicContact CD1-CD2 3.84Å; L509-F575 HydrophobicContact CD1-CE2 3.76Å; L557-F575 HydrophobicContact CD1-CE2 3.85Å; L557-F575 HydrophobicContact CD1-CZ 3.83Å; L557-F575 HydrophobicContact CD2-CE2 4.39Å; L557-F575 HydrophobicContact CD2-CZ 3.73Å; L557-F575 HydrophobicContact CG-CZ 4.24Å; C573-F575 VanDerWaalsContact C-N 3.3Å; C573-F575 PolarHBondContact O-N 2.73Å; F575-M579 HydrophobicContact CD2-CG 4.48Å; F575-M579 HydrophobicContact CE1-CG 4.23Å; F575-M579 HydrophobicContact CE2-CG 3.83Å; F575-M579 HydrophobicContact CZ-CG 3.66Å; F575-M579 HydrophobicContact CZ-SD 4.44Å; F575-M579 WeakPolarHBondContact O-CB 3.4Å; F575-M579 WeakPolarHBondContact O-CG 3.5Å; F575-M579 PolarHBondContact O-N 3.29Å
576	Y	65	Low	55.1	Low	74 Å²	74	77.3 Å²	77.3	29%	0.29	42%	0.422	S	S	.	.	H	α-helix	trans	-77.7	-31.2	176.3	-73.3	-56.9	0	0	0	112.5	L570 C573 A574 D580	L570-Y576 HydrophobicContact CD1-CD2 4.17Å; L570-Y576 HydrophobicContact CD1-CE2 4.11Å; L570-Y576 HydrophobicContact CD2-CD2 4.33Å; C573-Y576 HydrophobicContact CB-CD2 3.94Å; C573-Y576 PolarHBondContact O-N 3.02Å; A574-Y576 VanDerWaalsContact C-N 3.26Å; A574-Y576 PolarHBondContact O-N 3.43Å; Y576-D580 WeakPolarHBondContact O-CB 3.18Å; Y576-D580 PolarHBondContact O-N 2.84Å
577	K	62	Low	53.7	Low	137 Å²	137	73.8 Å²	73.8	60%	0.596	41%	0.414	S	S	*	.	H	α-helix	trans	-65.3	-39.3	170.2	-72.3	-172.3	167.5	-174.1	0	111.6	C573 A574 D580 A581	C573-K577 PolarHBondContact O-N 2.76Å; A574-K577 CarbonylContact O-C 3.55Å; A574-K577 WeakPolarHBondContact O-CA 3.4Å; A574-K577 WeakPolarHBondContact O-CB 3.47Å; A574-K577 PolarHBondContact O-N 2.95Å; K577-D580 PolarHBondContact O-N 2.8Å; K577-A581 VanDerWaalsContact O-CB 3.3Å; K577-A581 WeakPolarHBondContact O-CB 3.29Å; K577-A581 PolarHBondContact O-N 3.15Å
578	E	63.7	Low	52.9	Low	28 Å²	28	76.4 Å²	76.4	13%	0.131	42%	0.42	C	S	.	.	H	α-helix	trans	-66.9	-45.8	176	-68.1	163.7	161.3	0	0	111.6	K506 L509 A574 D580 L582	K506-E578 VanDerWaalsContact CE-OE1 3.28Å; K506-E578 WeakPolarHBondContact CE-OE1 3.49Å; L509-E578 HydrophobicContact CD1-CB 3.98Å; A574-E578 WeakPolarHBondContact O-CG 3.44Å; A574-E578 PolarHBondContact O-N 3.2Å; E578-D580 PolarHBondContact O-N 3.48Å; E578-L582 WeakPolarHBondContact O-CB 3.42Å; E578-L582 WeakPolarHBondContact O-CG 3.45Å; E578-L582 PolarHBondContact O-N 3.27Å
579	M	62.1	Low	52	Low	5 Å²	5	75 Å²	75	3%	0.025	43%	0.428	C	S	.	.	H	α-helix	trans	-61.2	-39.9	171.8	-82.6	-65	-49	0	0	113.3	L509 L557 F575 I583	L509-M579 HydrophobicContact CD1-CG 3.84Å; L509-M579 HydrophobicContact CD1-SD 3.99Å; L509-M579 HydrophobicContact CD2-CG 4.47Å; L509-M579 HydrophobicContact CD2-SD 3.5Å; L509-M579 VanDerWaalsContact CD2-SD 3.5Å; L509-M579 HydrophobicContact CG-SD 4.41Å; L557-M579 HydrophobicContact CB-CE 3.97Å; L557-M579 HydrophobicContact CB-SD 3.95Å; L557-M579 HydrophobicContact CD1-SD 3.74Å; F575-M579 HydrophobicContact CD2-CG 4.48Å; F575-M579 HydrophobicContact CE1-CG 4.23Å; F575-M579 HydrophobicContact CE2-CG 3.83Å; F575-M579 HydrophobicContact CZ-CG 3.66Å; F575-M579 HydrophobicContact CZ-SD 4.44Å; F575-M579 WeakPolarHBondContact O-CB 3.4Å; F575-M579 WeakPolarHBondContact O-CG 3.5Å; F575-M579 PolarHBondContact O-N 3.29Å; M579-I583 HydrophobicContact CE-CD1 3.7Å; M579-I583 HydrophobicContact CE-CG1 4.37Å; M579-I583 WeakPolarHBondContact O-CB 3.27Å; M579-I583 VanDerWaalsContact O-CG1 3.28Å; M579-I583 WeakPolarHBondContact O-CG1 3.33Å; M579-I583 PolarHBondContact O-N 2.67Å
580	D	64.4	Low	51.7	Low	58 Å²	58	72.5 Å²	72.5	31%	0.31	42%	0.424	S	S	.	.	H	α-helix	trans	-72	-40.7	-179.3	-168.8	66.3	0	0	0	111.5	Y561 Y576 K577 E578 I583 N584	Y561-D580 HydrophobicContact CE2-CB 3.97Å; Y561-D580 VanDerWaalsContact CE2-OD1 3.32Å; Y561-D580 WeakPolarHBondContact CE2-OD1 3.35Å; Y561-D580 PolarHBondContact OH-OD1 2.92Å; Y576-D580 WeakPolarHBondContact O-CB 3.18Å; Y576-D580 PolarHBondContact O-N 2.84Å; K577-D580 PolarHBondContact O-N 2.8Å; E578-D580 PolarHBondContact O-N 3.48Å; D580-I583 PolarHBondContact O-N 3.31Å; D580-N584 VanDerWaalsContact O-CB 3.28Å; D580-N584 WeakPolarHBondContact O-CB 3.31Å; D580-N584 VanDerWaalsContact O-CG 3.3Å; D580-N584 PolarHBondContact O-N 3.05Å; D580-N584 PolarHBondContact O-ND2 2.98Å; D580-N584 PolarHBondContact OD1-ND2 3.18Å; D580-N584 PolarHBondContact OD2-ND2 2.84Å
581	A	66.4	Low	50.6	Low	52 Å²	52	78.5 Å²	78.5	43%	0.43	45%	0.447	S	S	.	.	H	α-helix	trans	-59.8	-45.6	170.6	0	0	0	0	0	111.6	K577 I583 S585	K577-A581 VanDerWaalsContact O-CB 3.3Å; K577-A581 WeakPolarHBondContact O-CB 3.29Å; K577-A581 PolarHBondContact O-N 3.15Å; A581-I583 VanDerWaalsContact C-N 3.35Å; A581-I583 PolarHBondContact O-N 3.37Å; A581-S585 WeakPolarHBondContact O-CB 3.36Å; A581-S585 PolarHBondContact O-N 3.39Å
582	L	63.2	Low	50.2	Low	13 Å²	13	76.4 Å²	76.4	7%	0.068	45%	0.447	C	S	.	.	H	α-helix	trans	-59.3	-42.8	174.3	-82	168.3	0	0	0	112.5	L509 R513 Y518 E578 S585	L509-L582 HydrophobicContact CB-CD1 3.88Å; L509-L582 HydrophobicContact CD1-CD1 4.42Å; L509-L582 HydrophobicContact CD2-CD1 3.9Å; L509-L582 HydrophobicContact CG-CD1 4.26Å; R513-L582 HydrophobicContact CB-CD2 3.87Å; R513-L582 HydrophobicContact CG-CD2 4.08Å; Y518-L582 WeakPolarHBondContact CE1-O 3.47Å; E578-L582 WeakPolarHBondContact O-CB 3.42Å; E578-L582 WeakPolarHBondContact O-CG 3.45Å; E578-L582 PolarHBondContact O-N 3.27Å; L582-S585 PolarHBondContact O-OG 3.1Å
583	I	59.4	Low	50	Low	29 Å²	29	77.2 Å²	77.2	15%	0.149	45%	0.453	C	S	.	.	H	α-helix	trans	-75.3	-41.2	-177.5	-71.8	171.3	0	0	0	112.5	Y518 Y561 M579 D580 A581	Y518-I583 HydrophobicContact CE2-CG1 4.48Å; Y561-I583 HydrophobicContact CD1-CD1 3.42Å; Y561-I583 VanDerWaalsContact CD1-CD1 3.42Å; Y561-I583 HydrophobicContact CD2-CD1 4.05Å; Y561-I583 HydrophobicContact CE1-CB 4.48Å; Y561-I583 HydrophobicContact CE1-CD1 3.54Å; Y561-I583 HydrophobicContact CE1-CG2 3.99Å; Y561-I583 HydrophobicContact CE2-CD1 4.15Å; Y561-I583 HydrophobicContact CG-CD1 3.69Å; M579-I583 HydrophobicContact CE-CD1 3.7Å; M579-I583 HydrophobicContact CE-CG1 4.37Å; M579-I583 WeakPolarHBondContact O-CB 3.27Å; M579-I583 VanDerWaalsContact O-CG1 3.28Å; M579-I583 WeakPolarHBondContact O-CG1 3.33Å; M579-I583 PolarHBondContact O-N 2.67Å; D580-I583 PolarHBondContact O-N 3.31Å; A581-I583 VanDerWaalsContact C-N 3.35Å; A581-I583 PolarHBondContact O-N 3.37Å
584	N	58	Low	49.1	Very low	71 Å²	71	80.7 Å²	80.7	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-87.7	-10.8	-176	-58.6	-25	0	0	0	112.9	K565 D580 R586 A587	K565-N584 PolarHBondContact NZ-OD1 2.93Å; D580-N584 VanDerWaalsContact O-CB 3.28Å; D580-N584 WeakPolarHBondContact O-CB 3.31Å; D580-N584 VanDerWaalsContact O-CG 3.3Å; D580-N584 PolarHBondContact O-N 3.05Å; D580-N584 PolarHBondContact O-ND2 2.98Å; D580-N584 PolarHBondContact OD1-ND2 3.18Å; D580-N584 PolarHBondContact OD2-ND2 2.84Å; N584-R586 PolarHBondContact O-N 2.75Å; N584-A587 PolarHBondContact O-N 3.18Å; N584-A587 VanDerWaalsContact O-N 3.13Å
585	S	57.4	Low	48	Very low	89 Å²	89	83.4 Å²	83.4	62%	0.622	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-24.3	169.2	66.4	0	0	0	0	113.8	A581 L582	A581-S585 WeakPolarHBondContact O-CB 3.36Å; A581-S585 PolarHBondContact O-N 3.39Å; L582-S585 PolarHBondContact O-OG 3.1Å
586	R	48.1	Very low	46.7	Very low	123 Å²	123	90.5 Å²	90.5	46%	0.464	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	59.5	173.8	-161	165.8	176.7	165.1	-5.1	112	E519 N584	E519-R586 IonicContact OE1-CZ 2.73Å; E519-R586 IonicContact OE1-NH1 2.67Å; E519-R586 PolarHBondContact OE1-NH1 3.11Å; N584-R586 PolarHBondContact O-N 2.75Å
587	A	31.8	Very low	45.6	Very low	74 Å²	74	96 Å²	96	61%	0.612	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-56.1	127.3	139.9	0	0	0	0	0	107.6	N584 A589	N584-A587 PolarHBondContact O-N 3.18Å; N584-A587 VanDerWaalsContact O-N 3.13Å; A587-A589 PolarHBondContact O-N 3.16Å
588	P	34.3	Very low	44.4	Very low	115 Å²	115	96 Å²	96	75%	0.747	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-63	124.8	168.5	-16.5	30.2	0	0	0	107.9
589	A	27.8	Very low	43.2	Very low	83 Å²	83	100.3 Å²	100.3	69%	0.686	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-54.4	138.9	151.1	0	0	0	0	0	107.1	A587 F591	A587-A589 PolarHBondContact O-N 3.16Å; A589-F591 PolarHBondContact O-N 2.86Å
590	P	29.4	Very low	41.7	Very low	114 Å²	114	105.5 Å²	105.5	74%	0.74	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.9	133.1	166.7	26.3	-32.6	0	0	0	107.4	P592	P590-P592 WeakPolarHBondContact O-CD 3.36Å
591	F	23.1	Very low	40.5	Very low	205 Å²	205	108.1 Å²	108.1	90%	0.899	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-58.4	124	157.3	-86.4	-75.8	0	0	0	106	A589 S593	A589-F591 PolarHBondContact O-N 2.86Å; F591-S593 PolarHBondContact O-N 3.45Å
592	P	30.9	Very low	38.6	Very low	113 Å²	113	111 Å²	111	73%	0.734	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-60.5	131.1	-172.1	22.8	-32.7	0	0	0	109.6	P590	P590-P592 WeakPolarHBondContact O-CD 3.36Å
593	S	36.3	Very low	36.8	Very low	110 Å²	110	120.6 Å²	120.6	77%	0.769	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-69.9	133.2	173	52.5	0	0	0	0	110.5	F591	F591-S593 PolarHBondContact O-N 3.45Å
594	T	32	Very low	35.2	Very low	128 Å²	128	125.4 Å²	125.4	79%	0.785	72%	0.721	S	S	*	*			trans	-153.2	121.3	157.2	21.3	0	0	0	0	110.1
595	P	31.7	Very low	33.6	Very low	101 Å²	101	127.8 Å²	127.8	66%	0.656	73%	0.73	S	S	*	*				-58.5	153.6	128.9	-4	23.3	0	0	0	108.4
596	E	34.8	Very low	32	Very low	178 Å²	178	133.9 Å²	133.9	83%	0.832	74%	0.739	S	S	*	*			cis	-157.5	160.5	25.3	-135.2	155.4	-175.9	0	0	111
597	E	40.9	Very low	30.9	Very low	190 Å²	190	131.3 Å²	131.3	89%	0.888	75%	0.751	S	S	*	*			trans	61.3	174.4	169.2	-53.8	-156.3	117.5	0	0	119.3
598	V	36.9	Very low	30.4	Very low	136 Å²	136	133.1 Å²	133.1	82%	0.824	76%	0.759	S	S	*	*			trans	-138.8	148.2	-153.8	167.9	0	0	0	0	108.6
599	P	38.3	Very low	30	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	76%	0.758	S	S	*	*			cis	-128.9	-166.2	13	26.3	-0.6	0	0	0	116.1
600	S	29.6	Very low	29.9	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	76%	0.763	S	S	*	*			trans	-59.6	178.6	177.4	-24.8	0	0	0	0	116.7
601	P	40.5	Very low	29.7	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	76%	0.764	S	S	*	*			cis	-141.5	175.9	-3.5	41.9	-23.4	0	0	0	118.6
602	S	25.9	Very low	29.7	Very low	111 Å²	111	135.7 Å²	135.7	78%	0.776	75%	0.751	S	S	*	*			trans	96.3	141.5	141.9	83.2	0	0	0	0	124.9
603	R	25.6	Very low	29.9	Very low	216 Å²	216	135.6 Å²	135.6	82%	0.815	75%	0.751	S	S	*	*			trans	91.4	130.7	138.7	-153.7	172.8	172.9	164.8	-0.1	124
604	Q	26.1	Very low	29.3	Very low	130 Å²	130	137.7 Å²	137.7	61%	0.607	75%	0.748	S	S	*	*			trans	70.3	123.9	152.2	-90.4	177.8	-84.9	0	0	126.9
605	E	24.7	Very low	29.1	Very low	121 Å²	121	138.7 Å²	138.7	57%	0.565	74%	0.744	S	S	*	*				52.5	125.4	125.8	-79.5	-169.4	96.6	0	0	127.8
606	R	24	Very low	29	Very low	217 Å²	217	140 Å²	140	82%	0.819	75%	0.753	S	S	*	*				83.1	115.5	120.5	-167.8	-171.1	-64.9	-122.2	5.7	122.6
607	G	24	Very low	28.5	Very low	69 Å²	69	135.9 Å²	135.9	71%	0.711	74%	0.74	S	S	*	*			trans	88.5	166.6	154.2	0	0	0	0	0	117.3
608	S	21.9	Very low	27.8	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	73%	0.725	S	S	*	*			cis	-172.1	159.8	-18	-87.3	0	0	0	0	111.2
609	I	26.5	Very low	27.2	Very low	141 Å²	141	128 Å²	128	72%	0.723	71%	0.705	S	S	*	*			trans	78.1	125.1	144.7	-81.9	165.8	0	0	0	122.3
610	E	24.2	Very low	26.7	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	71%	0.707	S	S	*	*			trans	61.4	158.3	143.4	-66.6	178.2	170.6	0	0	122
611	V	25.3	Very low	26.9	Very low	126 Å²	126	130.1 Å²	130.1	76%	0.764	70%	0.701	S	S	*	*			cis	-153.3	173.1	-1.4	104.1	0	0	0	0	113.8
612	E	23.1	Very low	26.2	Very low	134 Å²	134	133.2 Å²	133.2	63%	0.626	71%	0.705	S	S	*	*			trans	-31.5	166.5	158.5	-90.6	-83.8	119.7	0	0	117.6	Q614	E612-Q614 WeakPolarHBondContact OE2-CG 3.27Å; E612-Q614 PolarHBondContact OE2-N 3.33Å
613	P	34.9	Very low	26.3	Very low	111 Å²	111	135 Å²	135	72%	0.721	70%	0.701	S	S	*	*			cis	-149.9	162	42.3	42.3	-20.7	0	0	0	122.6
614	Q	24.2	Very low	26.3	Very low	154 Å²	154	129.8 Å²	129.8	72%	0.72	69%	0.694	S	S	*	*			trans	34.7	123	138.4	-57.8	-170.8	-9.9	0	0	121.3	E612	E612-Q614 WeakPolarHBondContact OE2-CG 3.27Å; E612-Q614 PolarHBondContact OE2-N 3.33Å
615	E	27.3	Very low	26.3	Very low	148 Å²	148	127.9 Å²	127.9	69%	0.692	70%	0.695	S	S	*	*				78.5	143	80.1	-121.3	-156.9	-94.6	0	0	114.9	T617	E615-T617 WeakPolarHBondContact OE2-CB 3.42Å; E615-T617 PolarHBondContact OE2-N 3.23Å; E615-T617 PolarHBondContact OE2-OG1 3.36Å
616	P	29.6	Very low	26.4	Very low	129 Å²	129	130.8 Å²	130.8	84%	0.838	71%	0.708	S	S	*	*				-144.1	161.6	79.3	39.7	-23	0	0	0	117.7
617	T	25.8	Very low	26.3	Very low	91 Å²	91	129.4 Å²	129.4	56%	0.558	71%	0.711	S	S	*	*			trans	-83.8	154.8	-179.1	-68.5	0	0	0	0	116.5	E615	E615-T617 WeakPolarHBondContact OE2-CB 3.42Å; E615-T617 PolarHBondContact OE2-N 3.23Å; E615-T617 PolarHBondContact OE2-OG1 3.36Å
618	G	25.7	Very low	26.6	Very low	57 Å²	57	130 Å²	130	59%	0.588	71%	0.709	S	S	*	*			trans	108	136.4	149.7	0	0	0	0	0	116.3
619	W	24.3	Very low	26.7	Very low	105 Å²	105	130.7 Å²	130.7	40%	0.398	71%	0.708	S	S	.	*			cis	-143.1	153.8	22	-68.8	98.3	0	0	0	112.8	H312 A313 I314 Q315	H312-W619 AromaticContact ND1-CD1 3.9Å; A313-W619 HydrophobicContact CB-CB 4.08Å; A313-W619 HydrophobicContact CB-CD2 3.79Å; A313-W619 HydrophobicContact CB-CE3 4.01Å; A313-W619 HydrophobicContact CB-CG 3.84Å; A313-W619 WeakPolarHBondContact O-CZ2 3.38Å; I314-W619 VanDerWaalsContact CA-CZ3 3.41Å; I314-W619 HydrophobicContact CG1-CH2 4.47Å; Q315-W619 HydrophobicContact CB-CH2 4.44Å; Q315-W619 HydrophobicContact CB-CZ3 3.8Å; Q315-W619 HydrophobicContact CG-CE3 4.42Å; Q315-W619 HydrophobicContact CG-CZ3 3.75Å
620	E	27	Very low	27.1	Very low	176 Å²	176	129.9 Å²	129.9	82%	0.822	70%	0.704	S	S	*	*			trans	-142.6	169.2	163.9	-94.6	-67.7	101.3	0	0	109
621	P	34.4	Very low	27.3	Very low	101 Å²	101	127.2 Å²	127.2	66%	0.656	69%	0.692	S	S	*	*			trans	-110.4	171.6	-144.2	42.9	-41.5	0	0	0	117.1
622	E	26.1	Very low	27.4	Very low	179 Å²	179	124.8 Å²	124.8	84%	0.836	68%	0.675	S	S	*	*			trans	-86	156.2	151.1	-82.8	-172.3	165.9	0	0	110
623	E	28.5	Very low	27.6	Very low	149 Å²	149	122.7 Å²	122.7	70%	0.696	67%	0.674	S	S	*	*			cis	175.1	167.9	-20.1	-116.1	-92.1	138	0	0	104.2
624	T	24.5	Very low	27	Very low	106 Å²	106	121.4 Å²	121.4	65%	0.65	67%	0.667	S	S	*	*			trans	-3.6	159.4	159	56.9	0	0	0	0	122.6
625	S	25.8	Very low	27.1	Very low	90 Å²	90	119.4 Å²	119.4	63%	0.629	67%	0.67	S	S	*	*			cis	-164.6	161.2	-10.6	-109.5	0	0	0	0	112.3
626	Q	27.6	Very low	27.1	Very low	182 Å²	182	119.8 Å²	119.8	85%	0.85	67%	0.672	S	S	*	*			trans	38.9	120.1	145.7	-59.1	175	4.5	0	0	121
627	E	22.7	Very low	27	Very low	187 Å²	187	122.5 Å²	122.5	87%	0.874	67%	0.666	S	S	*	*				-152.8	162.2	129.6	-134.6	-174.4	-147.7	0	0	112
628	A	28.8	Very low	26.9	Very low	81 Å²	81	126 Å²	126	67%	0.669	68%	0.678	S	S	*	*			trans	-83.5	151.4	-158.7	0	0	0	0	0	116.3
629	V	24.9	Very low	26.9	Very low	126 Å²	126	128.3 Å²	128.3	76%	0.764	69%	0.685	S	S	*	*			trans	-117.7	113	167.8	178.4	0	0	0	0	110.6
630	I	35.2	Very low	27	Very low	124 Å²	124	132.3 Å²	132.3	64%	0.636	71%	0.708	S	S	*	*			trans	-70.9	123.4	167	-59.5	160.4	0	0	0	108.5
631	E	26.7	Very low	26.9	Very low	115 Å²	115	132.8 Å²	132.8	54%	0.537	71%	0.71	S	S	.	*			trans	-147.9	104.1	152.6	-133.4	166	-146.1	0	0	115.4
632	D	28.2	Very low	26.6	Very low	76 Å²	76	135.9 Å²	135.9	41%	0.406	72%	0.716	S	S	.	*			trans	12.4	119.1	131.7	-91.6	2.6	0	0	0	116.2	R907	D632-R907 IonicContact OD2-NH2 3.88Å; D632-R907 PolarHBondContact OD2-NH2 2.87Å
633	S	27.3	Very low	26.5	Very low	89 Å²	89	135.4 Å²	135.4	62%	0.622	72%	0.717	S	S	*	*			trans	-160.7	64.9	149.9	-81.8	0	0	0	0	112.3	S635	S633-S635 PolarHBondContact O-N 3.4Å
634	C	22.8	Very low	26.2	Very low	84 Å²	84	135.8 Å²	135.8	57%	0.568	72%	0.721	S	S	*	*			trans	-71.3	115.1	161.3	-70.2	0	0	0	0	110.1	R903	C634-R903 PolarHBondContact O-NH1 3.28Å
635	S	26.5	Very low	26.1	Very low	112 Å²	112	139.7 Å²	139.7	78%	0.783	73%	0.732	S	S	*	*			trans	-106	83.3	155.7	-69.6	0	0	0	0	108	S633	S633-S635 PolarHBondContact O-N 3.4Å
636	E	27	Very low	26	Very low	157 Å²	157	144.1 Å²	144.1	73%	0.734	74%	0.743	S	S	*	*			trans	-101.3	152.3	166.7	-76	171.6	148.8	0	0	109.8
637	R	27.5	Very low	26.6	Very low	186 Å²	186	140.1 Å²	140.1	70%	0.702	73%	0.732	S	S	*	*			trans	-122	141.2	176.8	-179.9	-173.8	-60.6	173.7	6.4	105.6	I796	R637-I796 PolarHBondContact NH1-O 3.43Å
638	M	23.7	Very low	26.7	Very low	164 Å²	164	139.3 Å²	139.3	81%	0.808	73%	0.728	S	S	*	*			trans	-52.2	139	-179.8	-54.5	-58.7	-66.4	0	0	111.8
639	S	25.9	Very low	26.7	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	74%	0.737	S	S	*	*			trans	-81.2	152.3	154.3	46.4	0	0	0	0	109.9
640	E	25.4	Very low	26.7	Very low	190 Å²	190	147.4 Å²	147.4	89%	0.888	74%	0.742	S	S	*	*			trans	-142.8	78.2	172.3	-74.8	-176.2	151.5	0	0	110.2
641	E	25.9	Very low	26.1	Very low	185 Å²	185	145 Å²	145	86%	0.864	75%	0.747	S	S	*	*			trans	-149.5	144.7	162.7	-69.6	-178.4	170.9	0	0	104.4
642	E	28	Very low	27.3	Very low	166 Å²	166	145.4 Å²	145.4	78%	0.776	76%	0.76	S	S	*	*			cis	-154.3	158.7	-3.7	-148.8	178.7	-166.3	0	0	107.8
643	I	23.4	Very low	28.2	Very low	170 Å²	170	148.1 Å²	148.1	87%	0.872	78%	0.781	S	S	*	*			trans	-140.4	119	165.2	-59.9	-178.6	0	0	0	109.4
644	M	22.3	Very low	28.2	Very low	157 Å²	157	146.8 Å²	146.8	77%	0.773	78%	0.782	S	S	*	*			trans	-116.1	127.3	158.8	-74	-150.8	-61.8	0	0	109.6
645	Q	22.2	Very low	28.4	Very low	187 Å²	187	150.4 Å²	150.4	87%	0.874	80%	0.795	S	S	*	*				176.3	160.3	115.9	-94.3	176.8	-10.2	0	0	111.7
646	E	23.4	Very low	28.3	Very low	184 Å²	184	152 Å²	152	86%	0.86	79%	0.794	S	S	*	*			trans	-86.1	-169.6	-177.2	-63.7	-162.3	130.9	0	0	111
647	P	41.6	Very low	28.2	Very low	97 Å²	97	152.9 Å²	152.9	63%	0.63	80%	0.798	S	S	*	*			cis	-147.2	-167.9	10.4	46.6	-25.9	0	0	0	118.4
648	E	25	Very low	28.4	Very low	170 Å²	170	149 Å²	149	79%	0.794	80%	0.799	S	S	*	*			trans	71.3	143.1	154.6	-77.2	171	-142.8	0	0	119.7
649	F	26.9	Very low	29.6	Very low	193 Å²	193	146 Å²	146	85%	0.846	79%	0.792	S	S	*	*			cis	-163.9	-178.1	-20.7	-149.6	-109.1	0	0	0	110.1
650	Q	25.8	Very low	29.6	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	79%	0.79	S	S	*	*			trans	82.1	130	167.6	-54.8	-176.8	-2.6	0	0	120.4
651	G	22.7	Very low	29.7	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	78%	0.78	S	S	*	*			trans	-138.9	-147.7	156.9	0	0	0	0	0	107.2
652	P	52.1	Low	29.8	Very low	125 Å²	125	143.8 Å²	143.8	81%	0.812	78%	0.776	S	S	*	*			cis	-118.9	-149.9	-14.4	43.7	-27.5	0	0	0	109.5
653	P	47.7	Very low	29.8	Very low	132 Å²	132	142.9 Å²	142.9	86%	0.857	77%	0.772	S	S	*	*			cis	-123.8	-145.1	-12.4	47	-29.6	0	0	0	110.7
654	G	26.6	Very low	30.1	Very low	62 Å²	62	141.7 Å²	141.7	64%	0.639	77%	0.765	S	S	*	*			cis	171.3	167.3	-0.5	0	0	0	0	0	114.3
655	L	26	Very low	30.2	Very low	160 Å²	160	137 Å²	137	84%	0.838	76%	0.758	S	S	*	*			trans	63.8	111.6	168.2	-53	-176.9	0	0	0	118
656	L	25.5	Very low	30.5	Very low	146 Å²	146	135.8 Å²	135.8	76%	0.764	76%	0.757	S	S	*	*				70.5	140.9	97.7	-65	-176.1	0	0	0	114.7
657	Q	25.8	Very low	30.7	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.813	75%	0.75	S	S	*	*			cis	-155	161.3	23.6	-141.4	158.6	17	0	0	112.8
658	S	31.6	Very low	30.1	Very low	105 Å²	105	134.4 Å²	134.4	73%	0.734	76%	0.757	S	S	*	*			trans	-129.1	168.5	161.2	-165.1	0	0	0	0	107.1
659	P	48.8	Very low	30.3	Very low	101 Å²	101	134.6 Å²	134.6	66%	0.656	76%	0.755	S	S	*	*				-163.5	-166.1	88.7	44.1	-21.6	0	0	0	117.1
660	N	25.3	Very low	30.3	Very low	130 Å²	130	133 Å²	133	70%	0.695	75%	0.75	S	S	*	*			trans	74.1	145.8	160.2	-61.9	23.3	0	0	0	119.9
661	D	26.5	Very low	30.4	Very low	126 Å²	126	131.5 Å²	131.5	67%	0.674	75%	0.748	S	S	*	*			cis	-163.1	159.5	-23.1	-103.6	-29.7	0	0	0	113.7
662	F	28	Very low	31.4	Very low	177 Å²	177	133.2 Å²	133.2	78%	0.776	75%	0.746	S	S	*	*			trans	5.4	157.5	151.4	-85.3	-147.4	0	0	0	122.4
663	E	28.3	Very low	30.2	Very low	147 Å²	147	132 Å²	132	69%	0.687	75%	0.747	S	S	*	*			cis	-166.5	162.7	31.3	-135.9	173	-162.6	0	0	116.9
664	I	29.5	Very low	29.5	Very low	145 Å²	145	134.4 Å²	134.4	74%	0.744	75%	0.747	S	S	*	*			trans	49.6	147.4	149.2	-73.5	155.1	0	0	0	122.8
665	G	24.6	Very low	29.5	Very low	60 Å²	60	139.3 Å²	139.3	62%	0.619	76%	0.757	S	S	*	*			cis	153.1	163.5	-10.6	0	0	0	0	0	116.3
666	N	28.6	Very low	29.7	Very low	161 Å²	161	137.2 Å²	137.2	86%	0.861	75%	0.75	S	S	*	*			trans	68.1	159.1	156.7	-65	-15.1	0	0	0	121.8
667	S	27.1	Very low	29.9	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	75%	0.753	S	S	*	*			cis	-173.4	-179	-23.7	-172.8	0	0	0	0	111.8
668	I	30.2	Very low	29.9	Very low	150 Å²	150	141.5 Å²	141.5	77%	0.769	76%	0.756	S	S	*	*			trans	77.4	131.1	165.1	-53.5	177.6	0	0	0	116.1
669	K	29.5	Very low	29.9	Very low	173 Å²	173	142.8 Å²	142.8	75%	0.752	75%	0.754	S	S	*	*				81.1	144.3	52.8	-104	-172.9	171.4	-76.5	0	113.4
670	E	26.8	Very low	28.7	Very low	160 Å²	160	145.3 Å²	145.3	75%	0.748	76%	0.759	S	S	*	*			cis	-138.9	-138.7	6.3	-54.6	-157.1	114.6	0	0	114.1
671	D	26.5	Very low	28.7	Very low	154 Å²	154	146.5 Å²	146.5	82%	0.824	76%	0.761	S	S	*	*			trans	-148.4	-157.1	-175.8	-155.7	34.8	0	0	0	108.9
672	P	44.5	Very low	29.1	Very low	107 Å²	107	149 Å²	149	70%	0.695	77%	0.768	S	S	*	*			cis	-141.8	-154.8	-7.9	45.3	-23.2	0	0	0	116.8
673	A	26.1	Very low	29	Very low	100 Å²	100	151 Å²	151	83%	0.826	77%	0.77	S	S	*	*			trans	92.8	176.6	155.6	0	0	0	0	0	122.2
674	Q	33.2	Very low	28.9	Very low	182 Å²	182	155.9 Å²	155.9	85%	0.85	78%	0.783	S	S	*	*			trans	-124.7	-179.6	-152.5	-50.2	179.5	12	0	0	115.8
675	I	28	Very low	28.6	Very low	166 Å²	166	152.7 Å²	152.7	85%	0.851	78%	0.778	S	S	*	*			trans	129.7	156.1	163	-73.5	160.2	0	0	0	113.1
676	V	29.4	Very low	28.8	Very low	115 Å²	115	156.8 Å²	156.8	70%	0.697	79%	0.785	S	S	*	*				-172.4	130.4	-58.4	130.2	0	0	0	0	111.3
677	Y	28.9	Very low	28.9	Very low	212 Å²	212	155.3 Å²	155.3	83%	0.831	78%	0.776	S	S	*	*			trans	64.4	162.7	156.2	-93.1	-98.5	0	0	0	126.5
678	K	27.3	Very low	28.8	Very low	199 Å²	199	156.4 Å²	156.4	87%	0.865	77%	0.769	S	S	*	*			trans	81.7	120	173.4	-62.8	-173.1	177.9	-179.3	0	117.3
679	D	30.2	Very low	28.9	Very low	131 Å²	131	156.5 Å²	156.5	70%	0.701	76%	0.764	S	S	*	*			cis	99	135	4.6	-157.1	40.1	0	0	0	119.4
680	M	23.9	Very low	29	Very low	154 Å²	154	152.7 Å²	152.7	76%	0.759	76%	0.759	S	S	*	*			trans	61.3	154.2	168.5	-75.9	-62.8	161.9	0	0	123.2
681	E	26.5	Very low	29.2	Very low	156 Å²	156	153.3 Å²	153.3	73%	0.729	76%	0.76	S	S	*	*			trans	61.7	144.3	172.3	-55.3	-154.6	112.2	0	0	117.3
682	Q	32.9	Very low	29.3	Very low	178 Å²	178	156.8 Å²	156.8	83%	0.832	76%	0.761	S	S	*	*			cis	-127.9	133.7	6.7	-59.7	165.5	-0.7	0	0	106.9
683	R	26.8	Very low	28.4	Very low	219 Å²	219	157.2 Å²	157.2	83%	0.826	76%	0.761	S	S	*	*			cis	65.9	128.5	38.5	-133.8	-178.5	-165.6	-145.8	3.3	112.9
684	R	26.3	Very low	28.3	Very low	250 Å²	250	158.4 Å²	158.4	94%	0.943	76%	0.758	S	S	*	*			trans	71.3	153.1	-166.9	-42.9	176.2	-160.2	-170.9	6.4	112.4
685	A	24.3	Very low	27.9	Very low	78 Å²	78	153.4 Å²	153.4	65%	0.645	74%	0.743	S	S	*	*			cis	-141.1	131.9	-11.8	0	0	0	0	0	108.1
686	L	27.6	Very low	27.9	Very low	145 Å²	145	153.5 Å²	153.5	76%	0.759	74%	0.74	S	S	*	*				68.9	121.5	97.2	-66	175.9	0	0	0	115.5
687	I	30.8	Very low	27.7	Very low	131 Å²	131	154.8 Å²	154.8	67%	0.672	74%	0.743	S	S	*	*			trans	77.4	139.5	135.1	-67.8	175.4	0	0	0	114.2
688	E	25.7	Very low	27.5	Very low	125 Å²	125	152 Å²	152	58%	0.584	75%	0.748	S	S	*	*			cis	-149.1	168.1	44.4	-164.7	46.6	-69	0	0	116
689	K	31.8	Very low	27.3	Very low	152 Å²	152	149.7 Å²	149.7	66%	0.661	75%	0.745	S	S	*	*			trans	-24.4	137.9	170.6	-71.4	141	-158.1	141.9	0	116.7
690	S	31.6	Very low	27.8	Very low	92 Å²	92	148.1 Å²	148.1	64%	0.643	74%	0.742	S	S	*	*			cis	95.2	165.5	34.6	83.6	0	0	0	0	115.2
691	K	31.2	Very low	27.7	Very low	174 Å²	174	145.5 Å²	145.5	76%	0.757	74%	0.739	S	S	*	*			trans	88.5	125.3	176.3	-65.2	173.4	-175.4	177.7	0	113.4
692	R	27.3	Very low	27.8	Very low	227 Å²	227	146.7 Å²	146.7	86%	0.857	74%	0.742	S	S	*	*			cis	114.1	151.7	46.5	-98.1	-172.1	-169.2	-163.4	3.5	107.2
693	V	26.5	Very low	27.5	Very low	115 Å²	115	148.1 Å²	148.1	70%	0.697	74%	0.741	S	S	*	*			cis	-167.5	160.4	1.9	87.9	0	0	0	0	111.2
694	V	24.7	Very low	27.5	Very low	126 Å²	126	146.6 Å²	146.6	76%	0.764	74%	0.743	S	S	*	*			trans	66.1	147.9	151.3	155.7	0	0	0	0	119.1
695	S	25.1	Very low	27.5	Very low	76 Å²	76	143.3 Å²	143.3	53%	0.531	74%	0.735	S	S	.	*			cis	-172.5	165.6	-16.2	60.5	0	0	0	0	113.2
696	Q	28	Very low	27.4	Very low	169 Å²	169	149.1 Å²	149.1	79%	0.79	74%	0.741	S	S	*	*			trans	64.7	158.9	152.1	-73.9	166.9	17.7	0	0	117.4
697	N	24.7	Very low	27.3	Very low	142 Å²	142	149.4 Å²	149.4	76%	0.759	74%	0.738	S	S	*	*			cis	161.7	125.9	-27.1	-99.4	5.4	0	0	0	104.8
698	T	24.5	Very low	27.1	Very low	154 Å²	154	149.3 Å²	149.3	95%	0.945	75%	0.748	S	S	*	*			trans	-177.2	160.7	146.6	13.7	0	0	0	0	112.9
699	D	23.8	Very low	27.1	Very low	150 Å²	150	151.7 Å²	151.7	80%	0.802	76%	0.763	S	S	*	*			trans	-136.9	-175	-178	-126.9	-35.7	0	0	0	106.4
700	P	39.3	Very low	26.7	Very low	98 Å²	98	149.8 Å²	149.8	64%	0.636	77%	0.769	S	S	*	*			cis	-139.5	-174.9	-20.7	39.7	-21.1	0	0	0	115.3
701	S	23.3	Very low	26.3	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	77%	0.771	S	S	*	*			trans	80.9	126.3	142.4	78.9	0	0	0	0	123.4
702	K	27.8	Very low	26.2	Very low	182 Å²	182	152.2 Å²	152.2	79%	0.791	78%	0.78	S	S	*	*				168.3	148.6	109.2	-91	-176.4	-179.7	174.8	0	113.7
703	Y	25.7	Very low	26	Very low	208 Å²	208	148.1 Å²	148.1	82%	0.816	77%	0.77	S	S	*	*			trans	15.9	139	154.3	-66.9	-90.3	0	0	0	120.7
704	H	27.7	Very low	25.9	Very low	187 Å²	187	155.1 Å²	155.1	87%	0.866	78%	0.784	S	S	*	*				-157	-162.8	65.2	-136.7	43	0	0	0	114.3
705	K	25.8	Very low	26	Very low	180 Å²	180	156.3 Å²	156.3	78%	0.783	78%	0.782	S	S	*	*			trans	-148.1	133	-158.1	179.4	-173.2	-175.1	180	0	112.6
706	R	23.5	Very low	26	Very low	201 Å²	201	160.5 Å²	160.5	76%	0.758	80%	0.798	S	S	*	*			trans	159.9	147.5	137	-89.6	172	-169.9	-100.7	12.2	116.2
707	E	24.3	Very low	26.1	Very low	150 Å²	150	160.7 Å²	160.7	70%	0.701	80%	0.803	S	S	*	*			trans	61.1	148.3	142.8	-73.7	138.5	-137	0	0	123.4
708	C	26.4	Very low	26.2	Very low	130 Å²	130	163.2 Å²	163.2	88%	0.878	81%	0.811	S	S	*	*			trans	-121.7	136.5	178.6	-52.3	0	0	0	0	109.7
709	I	25.9	Very low	26.2	Very low	175 Å²	175	159.2 Å²	159.2	90%	0.897	80%	0.8	S	S	*	*			trans	-131.4	153.7	167.5	-63.9	-176.2	0	0	0	109.3
710	S	23.8	Very low	26.5	Very low	112 Å²	112	159.1 Å²	159.1	78%	0.783	80%	0.798	S	S	*	*			trans	-99.9	135.6	-165.2	57	0	0	0	0	115.7
711	G	24	Very low	25.9	Very low	67 Å²	67	165.3 Å²	165.3	69%	0.691	81%	0.809	S	S	*	*				95.6	139	119.4	0	0	0	0	0	120.6
712	R	27.4	Very low	26.2	Very low	249 Å²	249	169.9 Å²	169.9	94%	0.94	82%	0.819	S	S	*	*			trans	67.5	165.7	169.9	-42.7	-172.1	-167.3	-148	5.4	113.5
713	Q	24.3	Very low	26.1	Very low	141 Å²	141	164.6 Å²	164.6	66%	0.659	82%	0.816	S	S	*	*			cis	-125.7	169.8	-1.4	-64.6	160.6	-100.5	0	0	110.4	E715	Q713-E715 PolarHBondContact NE2-OE1 2.68Å
714	W	24.2	Very low	26.2	Very low	262 Å²	262	164.3 Å²	164.3	99%	0.992	82%	0.819	S	S	*	*			trans	-149.1	146.5	140.5	-106.3	90.1	0	0	0	108.1
715	E	26.3	Very low	26.1	Very low	152 Å²	152	161.7 Å²	161.7	71%	0.71	81%	0.811	S	S	*	*			trans	-110.6	163.7	-165.7	-62.9	-177.5	137.3	0	0	113.1	Q713	Q713-E715 PolarHBondContact NE2-OE1 2.68Å
716	N	25.6	Very low	25.9	Very low	163 Å²	163	160.6 Å²	160.6	87%	0.872	81%	0.811	S	S	*	*			trans	-87.5	135.4	177.8	-78.3	-43	0	0	0	111.6
717	L	29.1	Very low	26	Very low	173 Å²	173	155.7 Å²	155.7	91%	0.906	81%	0.807	S	S	*	*			trans	-137.2	131.2	150.6	-83.8	174.5	0	0	0	110
718	Q	26.6	Very low	26.3	Very low	195 Å²	195	155.6 Å²	155.6	91%	0.911	81%	0.806	S	S	*	*			trans	-111.5	141.5	162.1	-73.5	-167.9	-10.3	0	0	108.3
719	G	25.5	Very low	26.7	Very low	70 Å²	70	155.7 Å²	155.7	72%	0.722	81%	0.806	S	S	*	*			trans	-173	62.1	-172.3	0	0	0	0	0	117.8
720	I	29.6	Very low	26.7	Very low	149 Å²	149	157 Å²	157	76%	0.764	80%	0.799	S	S	*	*				51.2	115	128.1	-63.3	179	0	0	0	120
721	R	28.2	Very low	26.9	Very low	227 Å²	227	158.8 Å²	158.8	86%	0.857	80%	0.8	S	S	*	*			trans	82.6	151.8	145.4	-73	171.2	-172.5	-168.7	1.1	122.7
722	Q	28.7	Very low	27.1	Very low	195 Å²	195	163.1 Å²	163.1	91%	0.911	81%	0.806	S	S	*	*			trans	66.3	142.8	165.3	-68.5	166.2	0.9	0	0	118
723	G	25.3	Very low	27.2	Very low	70 Å²	70	154.9 Å²	154.9	72%	0.722	80%	0.799	S	S	*	*			cis	147.8	120.7	-19.6	0	0	0	0	0	115.5
724	K	28.5	Very low	27.4	Very low	203 Å²	203	157.7 Å²	157.7	88%	0.883	81%	0.809	S	S	*	*			trans	63.9	163.7	175.6	-80.2	-169.5	175.8	-177.8	0	115.2
725	L	24.4	Very low	27.5	Very low	132 Å²	132	148.8 Å²	148.8	69%	0.691	80%	0.799	S	S	*	*			cis	-169.5	163.8	-28.9	-169.8	71.9	0	0	0	107.6
726	M	23	Very low	27.5	Very low	157 Å²	157	147 Å²	147	77%	0.773	80%	0.798	S	S	*	*			trans	69.4	158.7	168.3	-51.2	-54.9	-86.2	0	0	116.6
727	S	24.7	Very low	27.6	Very low	98 Å²	98	145.1 Å²	145.1	69%	0.685	79%	0.792	S	S	*	*			cis	-161.8	168.4	-31.1	52.4	0	0	0	0	110.2
728	Q	30.5	Very low	27.3	Very low	147 Å²	147	145.5 Å²	145.5	69%	0.687	79%	0.789	S	S	*	*			trans	-72.7	168.3	170.7	-53.9	-176	5	0	0	111.2
729	P	35.1	Very low	27.3	Very low	133 Å²	133	144.1 Å²	144.1	86%	0.864	78%	0.783	S	S	*	*				-135.5	-168.5	79.7	36.8	-21	0	0	0	114.6
730	R	26.9	Very low	27.3	Very low	202 Å²	202	151.8 Å²	151.8	76%	0.762	79%	0.79	S	S	*	*			trans	-122.4	154.1	-176.4	-45.4	168.3	-176.1	174.5	-1.4	110
731	D	26.2	Very low	27.2	Very low	149 Å²	149	150.9 Å²	150.9	80%	0.797	79%	0.794	S	S	*	*			trans	-152	130.4	139.4	-87.4	-44.3	0	0	0	107.1
732	L	29.8	Very low	27	Very low	158 Å²	158	149.7 Å²	149.7	83%	0.827	80%	0.795	S	S	*	*				77.6	82.7	56.4	-66.7	-177.6	0	0	0	113.8
733	G	28.6	Very low	26.9	Very low	76 Å²	76	147.2 Å²	147.2	78%	0.784	79%	0.793	S	S	*	*			trans	-173.4	88.4	171	0	0	0	0	0	111.2	G735	G733-G735 PolarHBondContact O-N 3.11Å
734	K	28.3	Very low	26.8	Very low	200 Å²	200	146.8 Å²	146.8	87%	0.87	79%	0.788	S	S	*	*			trans	-86.3	102	-172	-70.2	178.8	-178.5	172.2	0	112.6
735	G	26.6	Very low	26.6	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	79%	0.788	S	S	*	*			trans	-89.1	116.7	156.8	0	0	0	0	0	110.6	G733	G733-G735 PolarHBondContact O-N 3.11Å
736	V	27.3	Very low	26.7	Very low	114 Å²	114	151 Å²	151	69%	0.691	80%	0.795	S	S	*	*			trans	-88.9	111.7	-174.5	177.7	0	0	0	0	111.5
737	V	25.9	Very low	26.9	Very low	124 Å²	124	149 Å²	149	75%	0.752	79%	0.794	S	S	*	*			trans	-111.2	105.9	162.5	-179.9	0	0	0	0	108.6	Q739	V737-Q739 HydrophobicContact CG1-CG 4.45Å; V737-Q739 PolarHBondContact O-N 3.08Å
738	H	23.7	Very low	26.8	Very low	181 Å²	181	154.8 Å²	154.8	84%	0.838	80%	0.802	S	S	*	*			trans	-76.8	91.3	179.6	-107.3	-65.4	0	0	0	111.6
739	Q	26.9	Very low	26.5	Very low	166 Å²	166	158 Å²	158	78%	0.776	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-97.8	130.6	157.6	-65.7	-168.4	11.8	0	0	109.9	V737	V737-Q739 HydrophobicContact CG1-CG 4.45Å; V737-Q739 PolarHBondContact O-N 3.08Å
740	R	25.2	Very low	26	Very low	230 Å²	230	160 Å²	160	87%	0.868	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.6	132.3	169.9	-80.2	-176.5	171.5	176.5	-2.1	109.5	F742	R740-F742 PolarHBondContact O-N 3.47Å
741	P	28.1	Very low	26	Very low	131 Å²	131	157.9 Å²	157.9	85%	0.851	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.2	125	174	-18.5	31.2	0	0	0	110.8
742	F	22.4	Very low	26	Very low	202 Å²	202	158.2 Å²	158.2	89%	0.886	81%	0.808	S	S	*	*			trans	-116.4	143.7	173.3	-131.5	-83.7	0	0	0	111.4	R740	R740-F742 PolarHBondContact O-N 3.47Å
743	V	27.9	Very low	25.7	Very low	142 Å²	142	162 Å²	162	86%	0.861	81%	0.813	S	S	*	*			trans	-85.5	120	-164.6	-179.5	0	0	0	0	112.9
744	G	22.1	Very low	25.6	Very low	61 Å²	61	161.2 Å²	161.2	63%	0.629	81%	0.805	S	S	*	*			trans	159.6	161.6	165.5	0	0	0	0	0	114
745	K	26.1	Very low	25.7	Very low	200 Å²	200	158.2 Å²	158.2	87%	0.87	79%	0.794	S	S	*	*			cis	-157	159	-6.7	-104.1	155.8	-171.1	166.3	0	109
746	R	24.8	Very low	25.8	Very low	223 Å²	223	158.1 Å²	158.1	84%	0.842	78%	0.781	S	S	*	*			trans	-63.8	153	171.3	-62.4	177.9	179.8	172.9	-1.5	111.9
747	P	27.6	Very low	25.8	Very low	115 Å²	115	161.3 Å²	161.3	75%	0.747	79%	0.786	S	S	*	*				-111.9	150.3	103.6	33.1	-33.4	0	0	0	110.2
748	Y	23.7	Very low	26	Very low	220 Å²	220	157.8 Å²	157.8	86%	0.863	78%	0.775	S	S	*	*	P	Polyproline II helix	cis	-93.2	143.7	27.6	-67.5	-99.2	0	0	0	115.3
749	R	22.9	Very low	26.7	Very low	216 Å²	216	160.9 Å²	160.9	82%	0.815	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-94.9	122	155.8	-69.1	179.2	179.4	173.5	-0.5	108.1	L751	R749-L751 HydrophobicContact CB-CD1 4.5Å
750	L	25.9	Very low	26.9	Very low	173 Å²	173	156.5 Å²	156.5	91%	0.906	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-86.4	138	136.8	-76.3	168.4	0	0	0	106.1
751	L	25.8	Very low	27.5	Very low	159 Å²	159	151.2 Å²	151.2	83%	0.832	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-69.1	146.6	-177.9	-94.9	66.5	0	0	0	111.1	R749	R749-L751 HydrophobicContact CB-CD1 4.5Å
752	K	26.8	Very low	27.9	Very low	155 Å²	155	155.1 Å²	155.1	67%	0.674	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-79.5	148.8	168.9	-79.9	-174.2	168	-168	0	110.5	E755	K752-E755 IonicContact NZ-OE1 2.71Å; K752-E755 PolarHBondContact NZ-OE1 3.48Å
753	Y	23.4	Very low	28.4	Very low	238 Å²	238	153.1 Å²	153.1	93%	0.933	76%	0.756	S	S	*	*				-165.8	138.7	114.8	-99.1	-73.9	0	0	0	107.3
754	G	26.3	Very low	28.6	Very low	60 Å²	60	153.7 Å²	153.7	62%	0.619	75%	0.751	S	S	*	*			cis	-139.3	-178.1	-8.8	0	0	0	0	0	111.8
755	E	29.8	Very low	29.1	Very low	136 Å²	136	155.6 Å²	155.6	64%	0.636	75%	0.754	S	S	*	*			trans	-60.7	150.6	-168.9	-81.5	66.9	-143.8	0	0	117.8	K752	K752-E755 IonicContact NZ-OE1 2.71Å; K752-E755 PolarHBondContact NZ-OE1 3.48Å
756	S	28.5	Very low	29.5	Very low	75 Å²	75	156.5 Å²	156.5	52%	0.524	75%	0.752	S	S	.	*				157.8	4.1	120.3	58.2	0	0	0	0	117	G758	S756-G758 PolarHBondContact O-N 3Å
757	F	28.1	Very low	30.2	Very low	180 Å²	180	154.2 Å²	154.2	79%	0.789	75%	0.753	S	S	*	*			trans	-69.7	84.6	-174.1	-113.7	-82.2	0	0	0	116
758	G	30.1	Very low	30.7	Very low	51 Å²	51	152.9 Å²	152.9	53%	0.526	74%	0.743	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.9	127.2	177.5	0	0	0	0	0	114.5	S756	S756-G758 PolarHBondContact O-N 3Å
759	R	38.4	Very low	31.9	Very low	246 Å²	246	149.1 Å²	149.1	93%	0.928	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.7	55	166.3	-56.5	-172.6	-177	-164.6	1.4	116.1	T761	R759-T761 PolarHBondContact O-N 3.3Å
760	S	32.1	Very low	32.6	Very low	74 Å²	74	147.6 Å²	147.6	52%	0.517	74%	0.735	S	S	.	*			trans	-76.7	99.6	165.5	-172.6	0	0	0	0	111.9	R762	S760-R762 PolarHBondContact O-N 3.46Å
761	T	36.1	Very low	33.7	Very low	119 Å²	119	149.3 Å²	149.3	73%	0.73	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	44.9	175.7	58	0	0	0	0	113	R759	R759-T761 PolarHBondContact O-N 3.3Å
762	R	38	Very low	35.3	Very low	212 Å²	212	150 Å²	150	80%	0.8	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.8	-9.4	-171.5	-169.4	172.6	-88.8	-177.7	-8.1	114.3	S760	S760-R762 PolarHBondContact O-N 3.46Å
763	L	32.5	Very low	36.9	Very low	160 Å²	160	145.1 Å²	145.1	84%	0.838	72%	0.715	S	S	*	*	S	Bend	trans	-96.2	-22.2	173.8	-74.7	166.8	0	0	0	113.7	C765	L763-C765 PolarHBondContact O-N 2.93Å
764	M	31.4	Very low	39.2	Very low	155 Å²	155	138.2 Å²	138.2	76%	0.764	70%	0.699	S	S	*	*	S	Bend	trans	-83.5	56.1	173.2	-67.5	-66.5	-73.3	0	0	111.5
765	C	34	Very low	41.6	Very low	101 Å²	101	140.3 Å²	140.3	68%	0.682	69%	0.689	S	S	*	*	S	Bend	trans	-144.4	23.2	-174.9	-159.6	0	0	0	0	113.8	L763	L763-C765 PolarHBondContact O-N 2.93Å
766	R	33.3	Very low	44	Very low	218 Å²	218	141.1 Å²	141.1	82%	0.823	69%	0.691	S	S	*	*	S	Bend	trans	-135	-6.9	177.1	-154.9	171.4	179.5	-176.2	-1.6	115.9
767	M	39.9	Very low	46.8	Very low	175 Å²	175	137.6 Å²	137.6	86%	0.862	67%	0.666	S	S	*	*	S	Bend	trans	-137.2	22.7	-177.5	-69.3	-63	157.4	0	0	114.1
768	T	37.5	Very low	49.3	Very low	88 Å²	88	133 Å²	133	54%	0.54	67%	0.669	S	S	.	*			trans	-141.9	54.7	-178.5	54.6	0	0	0	0	112.9
769	H	48.3	Very low	51.6	Low	141 Å²	141	135.7 Å²	135.7	65%	0.653	68%	0.675	S	S	*	*			trans	-87.7	127.5	146.7	-67.3	-110.1	0	0	0	104.8
770	H	38.9	Very low	53.6	Low	184 Å²	184	126.1 Å²	126.1	85%	0.852	65%	0.646	S	S	*	*	S	Bend		-138.9	-5.8	54.3	-93.9	-104.4	0	0	0	117
771	K	48.5	Very low	55.7	Low	209 Å²	209	125.1 Å²	125.1	91%	0.909	65%	0.647	S	S	*	*	S	Bend	trans	-98	-6.4	-158.3	-128.6	178.3	-177.7	-177.4	0	118.7
772	E	60.4	Low	57.7	Low	172 Å²	172	125 Å²	125	80%	0.804	64%	0.636	S	S	*	*			trans	-134	63	-177.2	-69.5	-173.7	-168	0	0	114.4
773	N	60	Low	59.7	Low	53 Å²	53	117.9 Å²	117.9	28%	0.283	62%	0.618	S	S	.	*			trans	-124.9	77.9	158.9	-74.8	-69.1	0	0	0	109.5	Y775 C783 G785	N773-Y775 VanDerWaalsContact C-N 3.26Å; N773-Y775 PolarHBondContact O-N 3.35Å; N773-C783 HydrophobicContact CB-CB 3.54Å; N773-G785 WeakPolarHBondContact OD1-CA 3.5Å; N773-G785 PolarHBondContact OD1-N 3.12Å
774	P	71.8	Confident	62.2	Low	94 Å²	94	112.5 Å²	112.5	61%	0.61	59%	0.588	S	S	*	*			trans	-67.2	-22.2	-171.1	24.2	-33.1	0	0	0	114.2	K776	P774-K776 PolarHBondContact O-N 2.98Å
775	Y	76.1	Confident	64.6	Low	103 Å²	103	107.3 Å²	107.3	40%	0.404	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	91.9	-176.4	-54.5	-74.3	0	0	0	111	N773 F784 S787	N773-Y775 VanDerWaalsContact C-N 3.26Å; N773-Y775 PolarHBondContact O-N 3.35Å; Y775-F784 WeakPolarHBondContact CB-O 3.42Å; Y775-F784 PolarHBondContact N-O 3.35Å; Y775-F784 PolarHBondContact O-N 3.19Å; Y775-S787 VanDerWaalsContact CE1-CB 3.48Å; Y775-S787 VanDerWaalsContact CE2-N 3.29Å
776	K	81.2	Confident	66.8	Low	153 Å²	153	110.3 Å²	110.3	67%	0.665	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.4	144.3	174.8	-54.6	-176.6	-174.8	169.2	0	111	P774 L790	P774-K776 PolarHBondContact O-N 2.98Å; K776-L790 VanDerWaalsContact O-CD2 3.31Å; K776-L790 WeakPolarHBondContact O-CD2 3.15Å
777	C	86.5	Confident	69.2	Low	2 Å²	2	102.3 Å²	102.3	1%	0.014	55%	0.549	C	S	.	.			trans	-91	113.6	171.6	-171.1	0	0	0	0	110.7	V779 C780 G781 K782 F784 L790	C777-V779 VanDerWaalsContact C-N 3.31Å; C777-V779 PolarHBondContact O-N 3.33Å; C777-C780 PolarHBondContact O-N 2.76Å; C777-G781 WeakPolarHBondContact O-CA 3.49Å; C777-G781 PolarHBondContact O-N 2.89Å; C777-K782 WeakPolarHBondContact CB-O 3.34Å; C777-K782 PolarHBondContact N-O 3.14Å; C777-F784 HydrophobicContact CB-CE2 4.34Å; C777-L790 HydrophobicContact CB-CD1 3.46Å; C777-L790 VanDerWaalsContact CB-CD1 3.46Å
778	G	79.4	Confident	71.2	Confident	82 Å²	82	103 Å²	103	85%	0.845	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-46.1	179.4	0	0	0	0	0	113.3	C780	G778-C780 VanDerWaalsContact C-N 3.31Å; G778-C780 PolarHBondContact O-N 2.86Å
779	V	79.7	Confident	73.5	Confident	108 Å²	108	100.5 Å²	100.5	66%	0.655	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.2	-175.5	-171.6	0	0	0	0	114.6	C777 H797	C777-V779 VanDerWaalsContact C-N 3.31Å; C777-V779 PolarHBondContact O-N 3.33Å; V779-H797 HydrophobicContact CG1-CB 4.22Å; V779-H797 HydrophobicContact CG2-CB 4.45Å
780	C	79.7	Confident	75.3	Confident	46 Å²	46	94.7 Å²	94.7	31%	0.311	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	22.6	-176.8	79.4	0	0	0	0	115.9	C777 G778 K782 H793 H797	C777-C780 PolarHBondContact O-N 2.76Å; G778-C780 VanDerWaalsContact C-N 3.31Å; G778-C780 PolarHBondContact O-N 2.86Å; C780-K782 PolarHBondContact O-N 3.31Å; C780-H793 PolarHBondContact SG-NE2 3.15Å; C780-H797 PolarHBondContact SG-NE2 3.39Å; C780-H797 VanDerWaalsContact SG-NE2 3.45Å
781	G	76.9	Confident	77.4	Confident	52 Å²	52	89.7 Å²	89.7	54%	0.536	48%	0.48	S	S	.	.			trans	63.9	-4.9	175.6	0	0	0	0	0	117.2	C777 C783	C777-G781 WeakPolarHBondContact O-CA 3.49Å; C777-G781 PolarHBondContact O-N 2.89Å; G781-C783 PolarHBondContact O-N 3.44Å; G781-C783 PolarHBondContact O-SG 3.04Å
782	K	78.6	Confident	79.2	Confident	117 Å²	117	85.3 Å²	85.3	51%	0.509	46%	0.458	S	S	.	.			trans	-68	123.5	-173.1	-73.7	172.7	-169.8	139.2	0	110.9	C777 C780 F784	C777-K782 WeakPolarHBondContact CB-O 3.34Å; C777-K782 PolarHBondContact N-O 3.14Å; C780-K782 PolarHBondContact O-N 3.31Å; K782-F784 HydrophobicContact CB-CE2 3.74Å; K782-F784 HydrophobicContact CB-CZ 3.91Å; K782-F784 VanDerWaalsContact O-CD2 3.31Å; K782-F784 WeakPolarHBondContact O-CD2 3.47Å; K782-F784 WeakPolarHBondContact O-CE2 3.43Å
783	C	80.1	Confident	80.3	Confident	62 Å²	62	78 Å²	78	42%	0.419	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.4	-177.5	-48.4	0	0	0	0	111.4	N773 G781	N773-C783 HydrophobicContact CB-CB 3.54Å; G781-C783 PolarHBondContact O-N 3.44Å; G781-C783 PolarHBondContact O-SG 3.04Å
784	F	84.9	Confident	81.4	Confident	48 Å²	48	79.3 Å²	79.3	21%	0.211	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	135.6	-178.2	-58.8	-89.9	0	0	0	111.4	Y775 C777 K782 R786 L790 H793	Y775-F784 WeakPolarHBondContact CB-O 3.42Å; Y775-F784 PolarHBondContact N-O 3.35Å; Y775-F784 PolarHBondContact O-N 3.19Å; C777-F784 HydrophobicContact CB-CE2 4.34Å; K782-F784 HydrophobicContact CB-CE2 3.74Å; K782-F784 HydrophobicContact CB-CZ 3.91Å; K782-F784 VanDerWaalsContact O-CD2 3.31Å; K782-F784 WeakPolarHBondContact O-CD2 3.47Å; K782-F784 WeakPolarHBondContact O-CE2 3.43Å; F784-R786 PolarHBondContact O-N 3.08Å; F784-R786 VanDerWaalsContact O-N 3.08Å; F784-L790 HydrophobicContact CB-CB 4.38Å; F784-L790 HydrophobicContact CD2-CB 3.99Å; F784-L790 HydrophobicContact CD2-CD1 3.95Å; F784-L790 HydrophobicContact CE2-CD1 4.12Å; F784-L790 HydrophobicContact CG-CB 4.38Å; F784-H793 HydrophobicContact CE1-CB 4.2Å; F784-H793 HydrophobicContact CE2-CB 3.98Å; F784-H793 AromaticContact CE2-CD2 3.31Å; F784-H793 WeakPolarHBondContact CE2-CD2 3.39Å; F784-H793 AromaticContact CE2-CG 3.77Å; F784-H793 HydrophobicContact CZ-CB 3.61Å; F784-H793 AromaticContact CZ-CD2 3.33Å; F784-H793 WeakPolarHBondContact CZ-CD2 3.48Å; F784-H793 AromaticContact CZ-CG 3.38Å
785	G	79.8	Confident	82.1	Confident	46 Å²	46	77.7 Å²	77.7	47%	0.474	41%	0.41	S	S	.	.	S	Bend	trans	-73	8.2	175.6	0	0	0	0	0	115.4	N773	N773-G785 WeakPolarHBondContact OD1-CA 3.5Å; N773-G785 PolarHBondContact OD1-N 3.12Å
786	R	82	Confident	82.4	Confident	163 Å²	163	75.8 Å²	75.8	62%	0.615	41%	0.406	S	S	*	.	S	Bend	trans	-154.4	133.6	178.3	-60.3	-174.6	-172.5	157.5	8.9	111.8	F784 R788 S789 L790	F784-R786 PolarHBondContact O-N 3.08Å; F784-R786 VanDerWaalsContact O-N 3.08Å; R786-R788 PolarHBondContact O-N 2.83Å; R786-S789 WeakPolarHBondContact O-CB 3.43Å; R786-S789 PolarHBondContact O-N 3.06Å; R786-L790 PolarHBondContact O-N 2.96Å
787	S	83.2	Confident	82.4	Confident	50 Å²	50	71.8 Å²	71.8	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-58.6	-42.1	179.4	114.3	0	0	0	0	112.5	Y775 S789 L790 I791	Y775-S787 VanDerWaalsContact CE1-CB 3.48Å; Y775-S787 VanDerWaalsContact CE2-N 3.29Å; S787-S789 PolarHBondContact O-N 3.46Å; S787-S789 VanDerWaalsContact O-N 3.11Å; S787-L790 CarbonylContact O-C 3.53Å; S787-L790 WeakPolarHBondContact O-CA 3.28Å; S787-L790 WeakPolarHBondContact O-CB 3.41Å; S787-L790 PolarHBondContact O-N 2.96Å; S787-I791 WeakPolarHBondContact O-CG1 3.45Å; S787-I791 PolarHBondContact O-N 3.17Å
788	R	82.3	Confident	82	Confident	190 Å²	190	75.9 Å²	75.9	72%	0.717	42%	0.415	S	S	*	.	H	α-helix	trans	-56.5	-31	174.7	-173.7	-179.6	-69.5	-168.5	-2.1	113.5	R786 R792	R786-R788 PolarHBondContact O-N 2.83Å; R788-R792 WeakPolarHBondContact O-CB 3.23Å; R788-R792 PolarHBondContact O-N 3.14Å; R788-R792 VanDerWaalsContact O-N 3.15Å
789	S	84.4	Confident	82.1	Confident	36 Å²	36	74.1 Å²	74.1	25%	0.252	40%	0.397	S	S	.	.	H	α-helix	trans	-74.1	-36.6	174.8	-63.2	0	0	0	0	111.8	R786 S787 H793	R786-S789 WeakPolarHBondContact O-CB 3.43Å; R786-S789 PolarHBondContact O-N 3.06Å; S787-S789 PolarHBondContact O-N 3.46Å; S787-S789 VanDerWaalsContact O-N 3.11Å; S789-H793 WeakPolarHBondContact O-CB 3.36Å; S789-H793 PolarHBondContact O-N 3.33Å; S789-H793 VanDerWaalsContact O-N 3.16Å
790	L	86.8	Confident	82.2	Confident	18 Å²	18	72.8 Å²	72.8	9%	0.094	38%	0.383	C	S	.	.	H	α-helix	trans	-66.1	-49.2	171.9	172.3	60.9	0	0	0	111.1	K776 C777 F784 R786 S787 R792 H793 Q794	K776-L790 VanDerWaalsContact O-CD2 3.31Å; K776-L790 WeakPolarHBondContact O-CD2 3.15Å; C777-L790 HydrophobicContact CB-CD1 3.46Å; C777-L790 VanDerWaalsContact CB-CD1 3.46Å; F784-L790 HydrophobicContact CB-CB 4.38Å; F784-L790 HydrophobicContact CD2-CB 3.99Å; F784-L790 HydrophobicContact CD2-CD1 3.95Å; F784-L790 HydrophobicContact CE2-CD1 4.12Å; F784-L790 HydrophobicContact CG-CB 4.38Å; R786-L790 PolarHBondContact O-N 2.96Å; S787-L790 CarbonylContact O-C 3.53Å; S787-L790 WeakPolarHBondContact O-CA 3.28Å; S787-L790 WeakPolarHBondContact O-CB 3.41Å; S787-L790 PolarHBondContact O-N 2.96Å; L790-R792 PolarHBondContact O-N 3Å; L790-H793 CarbonylContact O-C 3.54Å; L790-H793 VanDerWaalsContact O-CA 3.27Å; L790-H793 WeakPolarHBondContact O-CA 3.39Å; L790-H793 VanDerWaalsContact O-CB 3.29Å; L790-H793 WeakPolarHBondContact O-CB 3.2Å; L790-H793 PolarHBondContact O-N 3.46Å; L790-Q794 HydrophobicContact CD1-CG 3.97Å; L790-Q794 HydrophobicContact CG-CG 4.28Å; L790-Q794 PolarHBondContact O-N 2.51Å
791	I	83.8	Confident	82.5	Confident	80 Å²	80	75.8 Å²	75.8	41%	0.41	39%	0.391	S	S	.	.	H	α-helix	trans	-57.5	-48.9	179.3	-65.4	165.3	0	0	0	110.8	S787 H793 Q794 R795	S787-I791 WeakPolarHBondContact O-CG1 3.45Å; S787-I791 PolarHBondContact O-N 3.17Å; I791-H793 PolarHBondContact O-N 2.94Å; I791-Q794 PolarHBondContact O-N 2.94Å; I791-Q794 VanDerWaalsContact O-N 3.1Å; I791-R795 WeakPolarHBondContact O-CG 3.21Å; I791-R795 PolarHBondContact O-N 3.08Å
792	R	84.6	Confident	82.8	Confident	116 Å²	116	76.6 Å²	76.6	44%	0.438	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-25.3	174.3	-174.3	-176.1	59.2	169.1	2.2	112.8	R788 L790 D814	R788-R792 WeakPolarHBondContact O-CB 3.23Å; R788-R792 PolarHBondContact O-N 3.14Å; R788-R792 VanDerWaalsContact O-N 3.15Å; L790-R792 PolarHBondContact O-N 3Å; R792-D814 WeakPolarHBondContact CD-OD2 3.38Å; R792-D814 IonicContact CZ-OD2 3.14Å; R792-D814 IonicContact NE-OD2 3.94Å; R792-D814 IonicContact NH1-OD2 2.72Å; R792-D814 PolarHBondContact NH1-OD2 2.98Å
793	H	84.8	Confident	83.1	Confident	20 Å²	20	74 Å²	74	9%	0.093	38%	0.376	C	S	.	.	H	α-helix	trans	-82.5	-33.6	173.6	177.5	53.6	0	0	0	112.9	C780 F784 S789 L790 I791 R795 I796 H797	C780-H793 PolarHBondContact SG-NE2 3.15Å; F784-H793 HydrophobicContact CE1-CB 4.2Å; F784-H793 HydrophobicContact CE2-CB 3.98Å; F784-H793 AromaticContact CE2-CD2 3.31Å; F784-H793 WeakPolarHBondContact CE2-CD2 3.39Å; F784-H793 AromaticContact CE2-CG 3.77Å; F784-H793 HydrophobicContact CZ-CB 3.61Å; F784-H793 AromaticContact CZ-CD2 3.33Å; F784-H793 WeakPolarHBondContact CZ-CD2 3.48Å; F784-H793 AromaticContact CZ-CG 3.38Å; S789-H793 WeakPolarHBondContact O-CB 3.36Å; S789-H793 PolarHBondContact O-N 3.33Å; S789-H793 VanDerWaalsContact O-N 3.16Å; L790-H793 CarbonylContact O-C 3.54Å; L790-H793 VanDerWaalsContact O-CA 3.27Å; L790-H793 WeakPolarHBondContact O-CA 3.39Å; L790-H793 VanDerWaalsContact O-CB 3.29Å; L790-H793 WeakPolarHBondContact O-CB 3.2Å; L790-H793 PolarHBondContact O-N 3.46Å; I791-H793 PolarHBondContact O-N 2.94Å; H793-R795 PolarHBondContact O-N 3.36Å; H793-I796 WeakPolarHBondContact O-CA 3.29Å; H793-I796 WeakPolarHBondContact O-CB 3.4Å; H793-I796 PolarHBondContact O-N 3.36Å; H793-H797 AromaticContact CE1-NE2 3.61Å; H793-H797 AromaticContact NE2-NE2 3.33Å; H793-H797 PolarHBondContact NE2-NE2 2.89Å
794	Q	83.2	Confident	83.4	Confident	79 Å²	79	77.4 Å²	77.4	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-35.4	173.5	-72.7	166.7	-68	0	0	111	L790 I791 I796 H797 T798	L790-Q794 HydrophobicContact CD1-CG 3.97Å; L790-Q794 HydrophobicContact CG-CG 4.28Å; L790-Q794 PolarHBondContact O-N 2.51Å; I791-Q794 PolarHBondContact O-N 2.94Å; I791-Q794 VanDerWaalsContact O-N 3.1Å; Q794-I796 PolarHBondContact O-N 3.05Å; Q794-H797 WeakPolarHBondContact O-CA 3.36Å; Q794-H797 WeakPolarHBondContact O-CB 3.47Å; Q794-H797 PolarHBondContact O-N 3.39Å; Q794-T798 PolarHBondContact O-N 2.81Å; Q794-T798 PolarHBondContact O-OG1 3.26Å
795	R	86.1	Confident	83.5	Confident	61 Å²	61	75.1 Å²	75.1	23%	0.23	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-9	167.9	-62.3	-167.8	172.9	156.3	1.9	116.3	I791 H793 T798 E800 N813	I791-R795 WeakPolarHBondContact O-CG 3.21Å; I791-R795 PolarHBondContact O-N 3.08Å; H793-R795 PolarHBondContact O-N 3.36Å; R795-T798 WeakPolarHBondContact CA-OG1 3.35Å; R795-E800 HydrophobicContact CB-CB 3.96Å; R795-E800 HydrophobicContact CG-CB 3.74Å; R795-E800 HydrophobicContact CG-CG 4.45Å; R795-E800 WeakPolarHBondContact CG-OE2 3.49Å; R795-E800 IonicContact CZ-OE2 2.74Å; R795-E800 IonicContact NE-OE2 3.12Å; R795-E800 PolarHBondContact NE-OE2 3.02Å; R795-E800 IonicContact NH2-OE2 2.64Å; R795-N813 HydrophobicContact CB-CB 4.26Å
796	I	83.3	Confident	83.7	Confident	63 Å²	63	80.3 Å²	80.3	32%	0.323	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.7	173.9	-58.5	178.8	0	0	0	111	R637 H793 Q794	R637-I796 PolarHBondContact NH1-O 3.43Å; H793-I796 WeakPolarHBondContact O-CA 3.29Å; H793-I796 WeakPolarHBondContact O-CB 3.4Å; H793-I796 PolarHBondContact O-N 3.36Å; Q794-I796 PolarHBondContact O-N 3.05Å
797	H	80.3	Confident	83.5	Confident	69 Å²	69	77.6 Å²	77.6	32%	0.319	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-49.5	173.8	-56.9	-63.8	0	0	0	110.9	V779 C780 H793 Q794 G799	V779-H797 HydrophobicContact CG1-CB 4.22Å; V779-H797 HydrophobicContact CG2-CB 4.45Å; C780-H797 PolarHBondContact SG-NE2 3.39Å; C780-H797 VanDerWaalsContact SG-NE2 3.45Å; H793-H797 AromaticContact CE1-NE2 3.61Å; H793-H797 AromaticContact NE2-NE2 3.33Å; H793-H797 PolarHBondContact NE2-NE2 2.89Å; Q794-H797 WeakPolarHBondContact O-CA 3.36Å; Q794-H797 WeakPolarHBondContact O-CB 3.47Å; Q794-H797 PolarHBondContact O-N 3.39Å; H797-G799 PolarHBondContact O-N 2.89Å; H797-G799 VanDerWaalsContact O-N 3.1Å
798	T	79.1	Confident	83.4	Confident	88 Å²	88	77.4 Å²	77.4	54%	0.54	39%	0.385	S	S	.	.	S	Bend	trans	-71.5	-0.6	177.8	60.2	0	0	0	0	114.4	Q794 R795 E800	Q794-T798 PolarHBondContact O-N 2.81Å; Q794-T798 PolarHBondContact O-OG1 3.26Å; R795-T798 WeakPolarHBondContact CA-OG1 3.35Å; T798-E800 PolarHBondContact O-N 3.35Å; T798-E800 WeakPolarHBondContact OG1-CG 3.3Å; T798-E800 PolarHBondContact OG1-OE1 3.14Å
799	G	81.4	Confident	83.3	Confident	45 Å²	45	70.2 Å²	70.2	46%	0.464	37%	0.37	S	S	.	.			trans	68.1	-8.6	-178.7	0	0	0	0	0	116.1	H797 K801	H797-G799 PolarHBondContact O-N 2.89Å; H797-G799 VanDerWaalsContact O-N 3.1Å; G799-K801 WeakPolarHBondContact O-CG 3.44Å; G799-K801 PolarHBondContact O-N 3.42Å
800	E	80.8	Confident	83.3	Confident	80 Å²	80	72.4 Å²	72.4	37%	0.374	38%	0.375	S	S	.	.			trans	-45.4	122.1	-177.2	-84.6	171	-106.2	0	0	113.7	R795 T798 N813	R795-E800 HydrophobicContact CB-CB 3.96Å; R795-E800 HydrophobicContact CG-CB 3.74Å; R795-E800 HydrophobicContact CG-CG 4.45Å; R795-E800 WeakPolarHBondContact CG-OE2 3.49Å; R795-E800 IonicContact CZ-OE2 2.74Å; R795-E800 IonicContact NE-OE2 3.12Å; R795-E800 PolarHBondContact NE-OE2 3.02Å; R795-E800 IonicContact NH2-OE2 2.64Å; T798-E800 PolarHBondContact O-N 3.35Å; T798-E800 WeakPolarHBondContact OG1-CG 3.3Å; T798-E800 PolarHBondContact OG1-OE1 3.14Å; E800-N813 WeakPolarHBondContact O-CB 3.49Å
801	K	85.6	Confident	83.3	Confident	108 Å²	108	73.7 Å²	73.7	47%	0.47	39%	0.386	S	S	.	.			trans	-126.5	71.6	173.7	-66.7	154.7	-173.6	168	0	110.8	G799 F803 S811 F812	G799-K801 WeakPolarHBondContact O-CG 3.44Å; G799-K801 PolarHBondContact O-N 3.42Å; K801-F803 PolarHBondContact O-N 2.83Å; K801-F803 VanDerWaalsContact O-N 3.11Å; K801-S811 VanDerWaalsContact CB-CB 3.45Å; K801-F812 CarbonylContact C-O 3.38Å; K801-F812 VanDerWaalsContact CA-O 3.27Å; K801-F812 WeakPolarHBondContact CA-O 3.4Å
802	P	83.5	Confident	83.4	Confident	70 Å²	70	72.3 Å²	72.3	46%	0.455	38%	0.377	S	S	.	.			trans	-67.4	-14.5	-170.6	-23	36.8	0	0	0	115.1
803	F	85.3	Confident	83.4	Confident	63 Å²	63	68.8 Å²	68.8	28%	0.276	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	84.6	-177.1	-53	-72.5	0	0	0	109.9	K801 S811 F812 D814 S815 F818	K801-F803 PolarHBondContact O-N 2.83Å; K801-F803 VanDerWaalsContact O-N 3.11Å; F803-S811 WeakPolarHBondContact O-CA 3.43Å; F803-F812 HydrophobicContact CB-CB 4.37Å; F803-F812 WeakPolarHBondContact CD2-O 3.14Å; F803-F812 PolarHBondContact N-O 3.43Å; F803-F812 PolarHBondContact O-N 3.06Å; F803-D814 VanDerWaalsContact CD2-C 3.49Å; F803-S815 VanDerWaalsContact CD2-N 3.35Å; F803-S815 VanDerWaalsContact CE2-N 3.28Å; F803-F818 HydrophobicContact CB-CB 3.69Å; F803-F818 HydrophobicContact CB-CD1 4.03Å; F803-F818 HydrophobicContact CB-CD2 4.31Å; F803-F818 HydrophobicContact CB-CG 3.74Å; F803-F818 HydrophobicContact CG-CB 4.41Å
804	K	85.8	Confident	83.4	Confident	132 Å²	132	68.7 Å²	68.7	57%	0.574	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.5	177.6	-175.3	172.3	-178.5	-175.4	0	111.2	S811	K804-S811 WeakPolarHBondContact CG-OG 3.42Å
805	C	88.1	Confident	83.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.368	C	S	.	.			trans	-77	126.6	166.4	-174.6	0	0	0	0	110.1	D807 G809 K810 F818 H821 H825	C805-D807 PolarHBondContact SG-OD2 2.84Å; C805-D807 VanDerWaalsContact SG-OD2 3.36Å; C805-G809 CarbonylContact O-C 3.3Å; C805-G809 WeakPolarHBondContact O-CA 3.18Å; C805-G809 PolarHBondContact O-N 2.85Å; C805-K810 WeakPolarHBondContact CB-O 3.33Å; C805-K810 PolarHBondContact N-O 3.27Å; C805-F818 HydrophobicContact CB-CE2 3.93Å; C805-H821 PolarHBondContact SG-NE2 2.74Å; C805-H821 VanDerWaalsContact SG-NE2 3.4Å; C805-H825 PolarHBondContact SG-NE2 3.49Å; C805-H825 VanDerWaalsContact SG-NE2 3.39Å
806	L	82.9	Confident	83.3	Confident	156 Å²	156	68.4 Å²	68.4	82%	0.817	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-43.5	174.8	-58	-178.8	0	0	0	110.1	C808	L806-C808 PolarHBondContact O-N 3.26Å; L806-C808 VanDerWaalsContact O-N 3.11Å
807	D	77.8	Confident	83.4	Confident	105 Å²	105	69.4 Å²	69.4	56%	0.561	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.7	-174.6	-31.9	-56.1	0	0	0	114.3	C805 H825	C805-D807 PolarHBondContact SG-OD2 2.84Å; C805-D807 VanDerWaalsContact SG-OD2 3.36Å; D807-H825 HydrophobicContact CB-CB 4.47Å; D807-H825 IonicContact OD2-CD2 3.58Å; D807-H825 PolarHBondContact OD2-CD2 2.99Å; D807-H825 VanDerWaalsContact OD2-CD2 3.27Å; D807-H825 IonicContact OD2-CG 3.06Å
808	C	81.6	Confident	83.7	Confident	47 Å²	47	67.8 Å²	67.8	32%	0.318	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	17.5	177.6	78.9	0	0	0	0	115.2	L806 K810 H821 H825	L806-C808 PolarHBondContact O-N 3.26Å; L806-C808 VanDerWaalsContact O-N 3.11Å; C808-K810 PolarHBondContact O-N 3.5Å; C808-H821 VanDerWaalsContact SG-CE1 3.56Å; C808-H821 PolarHBondContact SG-NE2 2.95Å; C808-H825 PolarHBondContact SG-NE2 3.26Å
809	G	80.7	Confident	83.9	Confident	39 Å²	39	64.9 Å²	64.9	40%	0.402	37%	0.369	S	S	.	.			trans	67.1	-11.2	177.2	0	0	0	0	0	117.5	C805 S811	C805-G809 CarbonylContact O-C 3.3Å; C805-G809 WeakPolarHBondContact O-CA 3.18Å; C805-G809 PolarHBondContact O-N 2.85Å; G809-S811 PolarHBondContact O-N 2.86Å
810	K	84.6	Confident	84	Confident	81 Å²	81	63.8 Å²	63.8	35%	0.352	36%	0.355	S	S	.	.			trans	-69.9	127.9	-172.6	-70.2	173.9	-175.6	166.4	0	111.3	C805 C808 F812	C805-K810 WeakPolarHBondContact CB-O 3.33Å; C805-K810 PolarHBondContact N-O 3.27Å; C808-K810 PolarHBondContact O-N 3.5Å; K810-F812 HydrophobicContact CB-CE2 3.99Å; K810-F812 HydrophobicContact CB-CZ 4.21Å; K810-F812 VanDerWaalsContact O-CE2 3.29Å; K810-F812 WeakPolarHBondContact O-CE2 3.4Å
811	S	86.1	Confident	84.2	Confident	46 Å²	46	60.9 Å²	60.9	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.6	-176.6	-50.7	0	0	0	0	113.5	K801 F803 K804 G809	K801-S811 VanDerWaalsContact CB-CB 3.45Å; F803-S811 WeakPolarHBondContact O-CA 3.43Å; K804-S811 WeakPolarHBondContact CG-OG 3.42Å; G809-S811 PolarHBondContact O-N 2.86Å
812	F	86	Confident	84.1	Confident	50 Å²	50	59.5 Å²	59.5	22%	0.219	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.1	-174.4	-57.5	-96.2	0	0	0	112	K801 F803 K810 N817 F818 H821	K801-F812 CarbonylContact C-O 3.38Å; K801-F812 VanDerWaalsContact CA-O 3.27Å; K801-F812 WeakPolarHBondContact CA-O 3.4Å; F803-F812 HydrophobicContact CB-CB 4.37Å; F803-F812 WeakPolarHBondContact CD2-O 3.14Å; F803-F812 PolarHBondContact N-O 3.43Å; F803-F812 PolarHBondContact O-N 3.06Å; K810-F812 HydrophobicContact CB-CE2 3.99Å; K810-F812 HydrophobicContact CB-CZ 4.21Å; K810-F812 VanDerWaalsContact O-CE2 3.29Å; K810-F812 WeakPolarHBondContact O-CE2 3.4Å; F812-N817 HydrophobicContact CD1-CB 4.14Å; F812-F818 HydrophobicContact CB-CB 4.21Å; F812-F818 HydrophobicContact CD2-CB 4.29Å; F812-F818 AromaticContact CD2-CD2 3.95Å; F812-F818 HydrophobicContact CD2-CD2 3.95Å; F812-F818 HydrophobicContact CE2-CD2 4.42Å; F812-F818 HydrophobicContact CG-CB 4.38Å; F812-H821 HydrophobicContact CE1-CB 4.11Å; F812-H821 HydrophobicContact CE2-CB 4.03Å; F812-H821 AromaticContact CE2-CD2 3.19Å; F812-H821 WeakPolarHBondContact CE2-CD2 3.33Å; F812-H821 AromaticContact CE2-CG 3.63Å; F812-H821 AromaticContact CE2-NE2 3.83Å; F812-H821 HydrophobicContact CZ-CB 3.63Å; F812-H821 AromaticContact CZ-CD2 3.41Å; F812-H821 VanDerWaalsContact CZ-CD2 3.41Å; F812-H821 WeakPolarHBondContact CZ-CD2 3.23Å; F812-H821 AromaticContact CZ-CG 3.33Å; F812-H821 AromaticContact CZ-ND1 3.9Å; F812-H821 AromaticContact CZ-NE2 3.99Å
813	N	85.3	Confident	84.2	Confident	42 Å²	42	59.4 Å²	59.4	23%	0.225	33%	0.327	C	S	.	.	S	Bend	trans	-90.8	-12	-179.9	61	-2.7	0	0	0	114.7	R795 E800	R795-N813 HydrophobicContact CB-CB 4.26Å; E800-N813 WeakPolarHBondContact O-CB 3.49Å
814	D	84.8	Confident	84.1	Confident	18 Å²	18	61.9 Å²	61.9	10%	0.096	34%	0.343	C	S	.	.	S	Bend	trans	-133.3	129	179.5	-171.4	-29.4	0	0	0	110	R792 F803 S816 N817 F818	R792-D814 WeakPolarHBondContact CD-OD2 3.38Å; R792-D814 IonicContact CZ-OD2 3.14Å; R792-D814 IonicContact NE-OD2 3.94Å; R792-D814 IonicContact NH1-OD2 2.72Å; R792-D814 PolarHBondContact NH1-OD2 2.98Å; F803-D814 VanDerWaalsContact CD2-C 3.49Å; D814-S816 PolarHBondContact O-N 2.91Å; D814-S816 WeakPolarHBondContact OD1-CB 3.46Å; D814-S816 PolarHBondContact OD1-N 2.93Å; D814-S816 PolarHBondContact OD1-OG 3.2Å; D814-N817 HydrophobicContact CB-CB 4.5Å; D814-N817 PolarHBondContact O-N 3.06Å; D814-F818 PolarHBondContact O-N 2.93Å; D814-F818 VanDerWaalsContact O-N 3.11Å
815	S	84.3	Confident	83.8	Confident	56 Å²	56	59.4 Å²	59.4	39%	0.392	33%	0.333	S	S	.	.	H	α-helix	trans	-61.9	-25.5	178.5	54.6	0	0	0	0	113	F803 N817 F818 G819	F803-S815 VanDerWaalsContact CD2-N 3.35Å; F803-S815 VanDerWaalsContact CE2-N 3.28Å; S815-N817 VanDerWaalsContact C-N 3.33Å; S815-F818 PolarHBondContact O-N 3.34Å; S815-G819 PolarHBondContact O-N 3.36Å
816	S	83	Confident	83.4	Confident	78 Å²	78	63.7 Å²	63.7	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-38.3	174.7	-40.1	0	0	0	0	111.7	D814 A820	D814-S816 PolarHBondContact O-N 2.91Å; D814-S816 WeakPolarHBondContact OD1-CB 3.46Å; D814-S816 PolarHBondContact OD1-N 2.93Å; D814-S816 PolarHBondContact OD1-OG 3.2Å; S816-A820 WeakPolarHBondContact O-CB 3.5Å; S816-A820 PolarHBondContact O-N 3.43Å
817	N	83.8	Confident	83.3	Confident	84 Å²	84	58.2 Å²	58.2	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-76.3	-38.4	177.2	-66.5	-20	0	0	0	110.5	F812 D814 S815 A820 H821	F812-N817 HydrophobicContact CD1-CB 4.14Å; D814-N817 HydrophobicContact CB-CB 4.5Å; D814-N817 PolarHBondContact O-N 3.06Å; S815-N817 VanDerWaalsContact C-N 3.33Å; N817-A820 PolarHBondContact O-N 3.31Å; N817-H821 WeakPolarHBondContact O-CB 3.39Å; N817-H821 PolarHBondContact O-N 2.78Å
818	F	87.3	Confident	83.3	Confident	36 Å²	36	57.8 Å²	57.8	16%	0.158	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-52.3	174.6	175.7	-121.5	0	0	0	112.4	F803 C805 F812 D814 S815 A820 H821 Q822	F803-F818 HydrophobicContact CB-CB 3.69Å; F803-F818 HydrophobicContact CB-CD1 4.03Å; F803-F818 HydrophobicContact CB-CD2 4.31Å; F803-F818 HydrophobicContact CB-CG 3.74Å; F803-F818 HydrophobicContact CG-CB 4.41Å; C805-F818 HydrophobicContact CB-CE2 3.93Å; F812-F818 HydrophobicContact CB-CB 4.21Å; F812-F818 HydrophobicContact CD2-CB 4.29Å; F812-F818 AromaticContact CD2-CD2 3.95Å; F812-F818 HydrophobicContact CD2-CD2 3.95Å; F812-F818 HydrophobicContact CE2-CD2 4.42Å; F812-F818 HydrophobicContact CG-CB 4.38Å; D814-F818 PolarHBondContact O-N 2.93Å; D814-F818 VanDerWaalsContact O-N 3.11Å; S815-F818 PolarHBondContact O-N 3.34Å; F818-A820 VanDerWaalsContact C-N 3.28Å; F818-A820 PolarHBondContact O-N 3.42Å; F818-H821 CarbonylContact O-C 3.37Å; F818-H821 WeakPolarHBondContact O-CA 3.34Å; F818-H821 WeakPolarHBondContact O-CB 3Å; F818-H821 PolarHBondContact O-N 2.81Å; F818-Q822 HydrophobicContact CD2-CG 4.24Å; F818-Q822 HydrophobicContact CE1-CG 4.26Å; F818-Q822 VanDerWaalsContact CE1-OE1 3.3Å; F818-Q822 HydrophobicContact CE2-CG 3.74Å; F818-Q822 HydrophobicContact CZ-CG 3.77Å; F818-Q822 PolarHBondContact O-N 3.4Å
819	G	84.4	Confident	83.4	Confident	27 Å²	27	61.6 Å²	61.6	28%	0.278	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-31.6	177	0	0	0	0	0	113.3	S815 H821	S815-G819 PolarHBondContact O-N 3.36Å; G819-H821 VanDerWaalsContact C-N 3.28Å; G819-H821 PolarHBondContact O-N 3.21Å
820	A	82.9	Confident	83.5	Confident	22 Å²	22	63.1 Å²	63.1	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-71.2	-21.8	171.3	0	0	0	0	0	113.4	S816 N817 F818	S816-A820 WeakPolarHBondContact O-CB 3.5Å; S816-A820 PolarHBondContact O-N 3.43Å; N817-A820 PolarHBondContact O-N 3.31Å; F818-A820 VanDerWaalsContact C-N 3.28Å; F818-A820 PolarHBondContact O-N 3.42Å
821	H	85.4	Confident	83.6	Confident	18 Å²	18	62.8 Å²	62.8	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-85.5	-39.8	174.5	164.7	63.4	0	0	0	112.5	C805 C808 F812 N817 F818 G819 R823 I824 H825	C805-H821 PolarHBondContact SG-NE2 2.74Å; C805-H821 VanDerWaalsContact SG-NE2 3.4Å; C808-H821 VanDerWaalsContact SG-CE1 3.56Å; C808-H821 PolarHBondContact SG-NE2 2.95Å; F812-H821 HydrophobicContact CE1-CB 4.11Å; F812-H821 HydrophobicContact CE2-CB 4.03Å; F812-H821 AromaticContact CE2-CD2 3.19Å; F812-H821 WeakPolarHBondContact CE2-CD2 3.33Å; F812-H821 AromaticContact CE2-CG 3.63Å; F812-H821 AromaticContact CE2-NE2 3.83Å; F812-H821 HydrophobicContact CZ-CB 3.63Å; F812-H821 AromaticContact CZ-CD2 3.41Å; F812-H821 VanDerWaalsContact CZ-CD2 3.41Å; F812-H821 WeakPolarHBondContact CZ-CD2 3.23Å; F812-H821 AromaticContact CZ-CG 3.33Å; F812-H821 AromaticContact CZ-ND1 3.9Å; F812-H821 AromaticContact CZ-NE2 3.99Å; N817-H821 WeakPolarHBondContact O-CB 3.39Å; N817-H821 PolarHBondContact O-N 2.78Å; F818-H821 CarbonylContact O-C 3.37Å; F818-H821 WeakPolarHBondContact O-CA 3.34Å; F818-H821 WeakPolarHBondContact O-CB 3Å; F818-H821 PolarHBondContact O-N 2.81Å; G819-H821 VanDerWaalsContact C-N 3.28Å; G819-H821 PolarHBondContact O-N 3.21Å; H821-R823 PolarHBondContact O-N 3.23Å; H821-R823 VanDerWaalsContact O-N 3.17Å; H821-I824 WeakPolarHBondContact O-CB 3.08Å; H821-I824 WeakPolarHBondContact O-CG1 3.2Å; H821-I824 PolarHBondContact O-N 2.64Å; H821-H825 AromaticContact CE1-NE2 3.5Å; H821-H825 AromaticContact NE2-NE2 3.44Å; H821-H825 PolarHBondContact NE2-NE2 3.15Å
822	Q	83.5	Confident	83.6	Confident	79 Å²	79	69.2 Å²	69.2	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-56.5	-32.3	176.2	-71	-177.3	-73.7	0	0	112.5	F818 I824 H825 T826	F818-Q822 HydrophobicContact CD2-CG 4.24Å; F818-Q822 HydrophobicContact CE1-CG 4.26Å; F818-Q822 VanDerWaalsContact CE1-OE1 3.3Å; F818-Q822 HydrophobicContact CE2-CG 3.74Å; F818-Q822 HydrophobicContact CZ-CG 3.77Å; F818-Q822 PolarHBondContact O-N 3.4Å; Q822-I824 PolarHBondContact O-N 3.12Å; Q822-I824 VanDerWaalsContact O-N 3.09Å; Q822-H825 PolarHBondContact O-N 2.79Å; Q822-T826 PolarHBondContact O-N 3.17Å
823	R	85.3	Confident	83.9	Confident	68 Å²	68	66.8 Å²	66.8	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-12.7	172.3	-68.3	-175	178.4	156.2	7.2	115.4	H821 G827 E828 Y831 S841	H821-R823 PolarHBondContact O-N 3.23Å; H821-R823 VanDerWaalsContact O-N 3.17Å; R823-G827 CarbonylContact O-C 3.25Å; R823-G827 PolarHBondContact O-N 3.03Å; R823-E828 HydrophobicContact CB-CB 4.09Å; R823-E828 HydrophobicContact CG-CB 3.86Å; R823-E828 IonicContact NE-OE2 3.39Å; R823-E828 PolarHBondContact NE-OE2 2.93Å; R823-E828 PolarHBondContact O-N 2.86Å; R823-Y831 PolarHBondContact NH1-OH 3.21Å; R823-S841 PolarHBondContact NH1-O 2.82Å
824	I	82.2	Confident	83.8	Confident	116 Å²	116	68.5 Å²	68.5	60%	0.595	38%	0.38	S	S	*	.	H	α-helix	trans	-75.6	-37.9	171.4	-57.1	177.2	0	0	0	109.5	H821 Q822	H821-I824 WeakPolarHBondContact O-CB 3.08Å; H821-I824 WeakPolarHBondContact O-CG1 3.2Å; H821-I824 PolarHBondContact O-N 2.64Å; Q822-I824 PolarHBondContact O-N 3.12Å; Q822-I824 VanDerWaalsContact O-N 3.09Å
825	H	80.3	Confident	83.8	Confident	80 Å²	80	72.6 Å²	72.6	37%	0.37	40%	0.399	S	S	.	.	H	α-helix	trans	-79.7	-44.2	179.4	-57.9	-47.5	0	0	0	112.2	C805 D807 C808 H821 Q822 G827	C805-H825 PolarHBondContact SG-NE2 3.49Å; C805-H825 VanDerWaalsContact SG-NE2 3.39Å; D807-H825 HydrophobicContact CB-CB 4.47Å; D807-H825 IonicContact OD2-CD2 3.58Å; D807-H825 PolarHBondContact OD2-CD2 2.99Å; D807-H825 VanDerWaalsContact OD2-CD2 3.27Å; D807-H825 IonicContact OD2-CG 3.06Å; C808-H825 PolarHBondContact SG-NE2 3.26Å; H821-H825 AromaticContact CE1-NE2 3.5Å; H821-H825 AromaticContact NE2-NE2 3.44Å; H821-H825 PolarHBondContact NE2-NE2 3.15Å; Q822-H825 PolarHBondContact O-N 2.79Å; H825-G827 PolarHBondContact O-N 3.32Å
826	T	79.1	Confident	83.8	Confident	89 Å²	89	72.4 Å²	72.4	55%	0.546	40%	0.396	S	S	.	.	S	Bend	trans	-74.6	-5.1	175.8	66.3	0	0	0	0	113.6	Q822 E828	Q822-T826 PolarHBondContact O-N 3.17Å; T826-E828 PolarHBondContact O-N 2.9Å; T826-E828 WeakPolarHBondContact OG1-CB 3.48Å; T826-E828 WeakPolarHBondContact OG1-CG 3.46Å
827	G	80.1	Confident	83.8	Confident	41 Å²	41	70.5 Å²	70.5	42%	0.423	39%	0.39	S	S	.	.			trans	66.6	0.1	-175.8	0	0	0	0	0	115.1	R823 H825 K829	R823-G827 CarbonylContact O-C 3.25Å; R823-G827 PolarHBondContact O-N 3.03Å; H825-G827 PolarHBondContact O-N 3.32Å; G827-K829 PolarHBondContact O-N 2.86Å
828	E	78.6	Confident	83.9	Confident	96 Å²	96	72.4 Å²	72.4	45%	0.449	39%	0.394	S	S	.	.			trans	-54.2	122	-174.9	-90.6	-178.1	-146.7	0	0	112.9	R823 T826 S841	R823-E828 HydrophobicContact CB-CB 4.09Å; R823-E828 HydrophobicContact CG-CB 3.86Å; R823-E828 IonicContact NE-OE2 3.39Å; R823-E828 PolarHBondContact NE-OE2 2.93Å; R823-E828 PolarHBondContact O-N 2.86Å; T826-E828 PolarHBondContact O-N 2.9Å; T826-E828 WeakPolarHBondContact OG1-CB 3.48Å; T826-E828 WeakPolarHBondContact OG1-CG 3.46Å; E828-S841 WeakPolarHBondContact O-CB 3.45Å
829	K	84.3	Confident	83.8	Confident	128 Å²	128	72.9 Å²	72.9	56%	0.557	40%	0.401	S	S	*	.			trans	-125.6	70.4	175.4	-70.6	159.1	-172.1	165.6	0	110.8	G827 Y831 C839 F840	G827-K829 PolarHBondContact O-N 2.86Å; K829-Y831 PolarHBondContact O-N 2.86Å; K829-Y831 VanDerWaalsContact O-N 3.09Å; K829-C839 HydrophobicContact CB-CB 3.64Å; K829-F840 CarbonylContact C-O 3.31Å; K829-F840 VanDerWaalsContact CA-O 3.26Å; K829-F840 WeakPolarHBondContact CA-O 3.18Å
830	P	83.1	Confident	83.8	Confident	71 Å²	71	73.9 Å²	73.9	46%	0.461	40%	0.398	S	S	.	.			trans	-65.9	-15.9	-170.9	-21	34.6	0	0	0	114.6
831	Y	86.5	Confident	83.8	Confident	73 Å²	73	74.5 Å²	74.5	29%	0.286	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	87.4	-172.9	-52.6	-70.3	0	0	0	110.5	R823 K829 C839 F840 S841 S843	R823-Y831 PolarHBondContact NH1-OH 3.21Å; K829-Y831 PolarHBondContact O-N 2.86Å; K829-Y831 VanDerWaalsContact O-N 3.09Å; Y831-C839 WeakPolarHBondContact O-CA 3.31Å; Y831-F840 WeakPolarHBondContact CB-O 3.46Å; Y831-F840 WeakPolarHBondContact CD2-O 3.4Å; Y831-F840 PolarHBondContact N-O 2.91Å; Y831-F840 PolarHBondContact O-N 3.05Å; Y831-S841 WeakPolarHBondContact CE2-O 3.39Å; Y831-S843 VanDerWaalsContact CD2-N 3.3Å
832	R	86.2	Confident	83.8	Confident	181 Å²	181	77.6 Å²	77.6	68%	0.683	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.2	174.5	-177.5	174.1	-70.8	-166.6	1.5	111.5	C839	R832-C839 PolarHBondContact NE-SG 2.92Å
833	C	90.8	Very high	83.9	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	42%	0.417	C	S	.	.			trans	-78.9	123.9	166.2	175.8	0	0	0	0	110.2	E835 C836 G837 K838 F840 L846 H853	C833-E835 VanDerWaalsContact C-N 3.32Å; C833-E835 PolarHBondContact O-N 3.16Å; C833-C836 VanDerWaalsContact SG-SG 3.66Å; C833-G837 VanDerWaalsContact O-CA 3.29Å; C833-G837 WeakPolarHBondContact O-CA 3.38Å; C833-G837 PolarHBondContact O-N 2.96Å; C833-K838 VanDerWaalsContact CB-O 3.32Å; C833-K838 WeakPolarHBondContact CB-O 3.38Å; C833-K838 PolarHBondContact N-O 3.33Å; C833-F840 HydrophobicContact CB-CE2 4.44Å; C833-L846 HydrophobicContact CB-CD1 3.61Å; C833-H853 PolarHBondContact SG-NE2 2.91Å; C833-H853 VanDerWaalsContact SG-NE2 3.41Å
834	G	84.2	Confident	83.8	Confident	78 Å²	78	75.9 Å²	75.9	80%	0.804	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-30.3	178.1	0	0	0	0	0	113.9
835	E	83.9	Confident	84.1	Confident	104 Å²	104	72.5 Å²	72.5	49%	0.486	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-21.7	-172.5	-62.9	148	117.8	0	0	113.6	C833 H853	C833-E835 VanDerWaalsContact C-N 3.32Å; C833-E835 PolarHBondContact O-N 3.16Å; E835-H853 WeakPolarHBondContact OE1-CB 3.39Å; E835-H853 IonicContact OE2-CD2 2.68Å; E835-H853 PolarHBondContact OE2-CD2 3.2Å; E835-H853 VanDerWaalsContact OE2-CD2 3.3Å
836	C	85.6	Confident	84.4	Confident	51 Å²	51	69.7 Å²	69.7	35%	0.345	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.6	13.9	-178.2	72.6	0	0	0	0	115.3	C833 K838 H849 H853	C833-C836 VanDerWaalsContact SG-SG 3.66Å; C836-K838 PolarHBondContact O-N 2.89Å; C836-H849 PolarHBondContact SG-NE2 3.15Å; C836-H853 VanDerWaalsContact SG-CE1 3.52Å; C836-H853 PolarHBondContact SG-NE2 3.11Å; C836-H853 VanDerWaalsContact SG-NE2 3.35Å
837	G	82.7	Confident	84.8	Confident	39 Å²	39	69.7 Å²	69.7	40%	0.402	39%	0.393	S	S	.	.			trans	69.7	-13.1	176.6	0	0	0	0	0	116.7	C833 C839	C833-G837 VanDerWaalsContact O-CA 3.29Å; C833-G837 WeakPolarHBondContact O-CA 3.38Å; C833-G837 PolarHBondContact O-N 2.96Å; G837-C839 PolarHBondContact O-N 2.8Å; G837-C839 PolarHBondContact O-SG 3.25Å
838	K	85.9	Confident	85.1	Confident	124 Å²	124	70.6 Å²	70.6	54%	0.539	39%	0.387	S	S	.	.			trans	-59.6	129.3	-177.1	-68.6	178	-175.5	174.2	0	111.5	C833 C836 F840	C833-K838 VanDerWaalsContact CB-O 3.32Å; C833-K838 WeakPolarHBondContact CB-O 3.38Å; C833-K838 PolarHBondContact N-O 3.33Å; C836-K838 PolarHBondContact O-N 2.89Å; K838-F840 HydrophobicContact CB-CE2 3.89Å; K838-F840 HydrophobicContact CB-CZ 4.11Å; K838-F840 WeakPolarHBondContact O-CE2 3.34Å
839	C	84.8	Confident	85.5	Confident	46 Å²	46	67.2 Å²	67.2	31%	0.311	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.1	-175.3	-62.1	0	0	0	0	111.6	K829 Y831 R832 G837	K829-C839 HydrophobicContact CB-CB 3.64Å; Y831-C839 WeakPolarHBondContact O-CA 3.31Å; R832-C839 PolarHBondContact NE-SG 2.92Å; G837-C839 PolarHBondContact O-N 2.8Å; G837-C839 PolarHBondContact O-SG 3.25Å
840	F	85.1	Confident	85.5	Confident	48 Å²	48	64.5 Å²	64.5	21%	0.211	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.6	-175.9	-58.5	-93.1	0	0	0	111.5	K829 Y831 C833 K838 L846 H849	K829-F840 CarbonylContact C-O 3.31Å; K829-F840 VanDerWaalsContact CA-O 3.26Å; K829-F840 WeakPolarHBondContact CA-O 3.18Å; Y831-F840 WeakPolarHBondContact CB-O 3.46Å; Y831-F840 WeakPolarHBondContact CD2-O 3.4Å; Y831-F840 PolarHBondContact N-O 2.91Å; Y831-F840 PolarHBondContact O-N 3.05Å; C833-F840 HydrophobicContact CB-CE2 4.44Å; K838-F840 HydrophobicContact CB-CE2 3.89Å; K838-F840 HydrophobicContact CB-CZ 4.11Å; K838-F840 WeakPolarHBondContact O-CE2 3.34Å; F840-L846 HydrophobicContact CB-CB 4.46Å; F840-L846 HydrophobicContact CD2-CB 4.11Å; F840-L846 HydrophobicContact CD2-CD1 4Å; F840-L846 HydrophobicContact CE2-CD1 4.2Å; F840-L846 HydrophobicContact CG-CB 4.45Å; F840-H849 HydrophobicContact CE1-CB 4.17Å; F840-H849 HydrophobicContact CE2-CB 4.07Å; F840-H849 AromaticContact CE2-CD2 3.29Å; F840-H849 WeakPolarHBondContact CE2-CD2 3.46Å; F840-H849 AromaticContact CE2-CG 3.83Å; F840-H849 HydrophobicContact CZ-CB 3.64Å; F840-H849 AromaticContact CZ-CD2 3.31Å; F840-H849 WeakPolarHBondContact CZ-CD2 3.33Å; F840-H849 AromaticContact CZ-CG 3.41Å; F840-H849 VanDerWaalsContact CZ-CG 3.41Å
841	S	83.1	Confident	85.7	Confident	34 Å²	34	63.6 Å²	63.6	24%	0.238	35%	0.348	C	S	.	.	S	Bend	trans	-80.4	-17.1	177.1	54.6	0	0	0	0	113.8	R823 E828 Y831	R823-S841 PolarHBondContact NH1-O 2.82Å; E828-S841 WeakPolarHBondContact O-CB 3.45Å; Y831-S841 WeakPolarHBondContact CE2-O 3.39Å
842	Q	84.4	Confident	85.6	Confident	84 Å²	84	64 Å²	64	39%	0.393	36%	0.358	S	S	.	.	S	Bend	trans	-128.5	141.3	176.8	-57.1	-174	8	0	0	112.1	S844 S845 L846	Q842-S844 VanDerWaalsContact C-N 3.35Å; Q842-S844 WeakPolarHBondContact CB-OG 3.02Å; Q842-S844 PolarHBondContact OE1-OG 3.29Å; Q842-S845 WeakPolarHBondContact O-CB 3.32Å; Q842-S845 PolarHBondContact O-N 2.81Å; Q842-L846 PolarHBondContact O-N 2.87Å
843	S	85.3	Confident	85.5	Confident	57 Å²	57	59 Å²	59	40%	0.399	34%	0.343	S	S	.	.	H	α-helix	trans	-70.5	-29.5	179.5	53.4	0	0	0	0	113.2	Y831 S845 L846 I847	Y831-S843 VanDerWaalsContact CD2-N 3.3Å; S843-S845 VanDerWaalsContact C-N 3.33Å; S843-L846 PolarHBondContact O-N 2.84Å; S843-I847 WeakPolarHBondContact O-CG1 3.33Å; S843-I847 PolarHBondContact O-N 3Å
844	S	84.9	Confident	85	Confident	54 Å²	54	63 Å²	63	38%	0.378	37%	0.367	S	S	.	.	H	α-helix	trans	-56.3	-46	169.7	45.9	0	0	0	0	111.8	Q842 I847 I848	Q842-S844 VanDerWaalsContact C-N 3.35Å; Q842-S844 WeakPolarHBondContact CB-OG 3.02Å; Q842-S844 PolarHBondContact OE1-OG 3.29Å; S844-I847 PolarHBondContact O-N 3.34Å; S844-I848 VanDerWaalsContact O-CG1 3.3Å; S844-I848 WeakPolarHBondContact O-CG1 3.43Å; S844-I848 PolarHBondContact O-N 2.89Å
845	S	86.5	Confident	84.9	Confident	45 Å²	45	61.3 Å²	61.3	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-42	176.7	-52.5	0	0	0	0	111.9	Q842 S843 I848 H849	Q842-S845 WeakPolarHBondContact O-CB 3.32Å; Q842-S845 PolarHBondContact O-N 2.81Å; S843-S845 VanDerWaalsContact C-N 3.33Å; S845-I848 PolarHBondContact O-N 3.29Å; S845-H849 VanDerWaalsContact O-CB 3.32Å; S845-H849 WeakPolarHBondContact O-CB 3.28Å; S845-H849 PolarHBondContact O-N 3.22Å
846	L	88.4	Confident	84.7	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.11	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-48.3	174.3	173.8	60.2	0	0	0	111.5	C833 F840 Q842 S843 I848 H849 Q850	C833-L846 HydrophobicContact CB-CD1 3.61Å; F840-L846 HydrophobicContact CB-CB 4.46Å; F840-L846 HydrophobicContact CD2-CB 4.11Å; F840-L846 HydrophobicContact CD2-CD1 4Å; F840-L846 HydrophobicContact CE2-CD1 4.2Å; F840-L846 HydrophobicContact CG-CB 4.45Å; Q842-L846 PolarHBondContact O-N 2.87Å; S843-L846 PolarHBondContact O-N 2.84Å; L846-I848 PolarHBondContact O-N 3.25Å; L846-H849 CarbonylContact O-C 3.53Å; L846-H849 WeakPolarHBondContact O-CA 3.28Å; L846-H849 WeakPolarHBondContact O-CB 3.17Å; L846-H849 PolarHBondContact O-N 3.42Å; L846-Q850 HydrophobicContact CD1-CG 3.98Å; L846-Q850 HydrophobicContact CG-CG 4.38Å; L846-Q850 WeakPolarHBondContact O-CG 3.47Å; L846-Q850 PolarHBondContact O-N 3.43Å
847	I	86.1	Confident	84.6	Confident	89 Å²	89	64.7 Å²	64.7	46%	0.456	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-41.4	-179.3	-67.5	163.3	0	0	0	111.3	S843 S844 H849 Q850 R851	S843-I847 WeakPolarHBondContact O-CG1 3.33Å; S843-I847 PolarHBondContact O-N 3Å; S844-I847 PolarHBondContact O-N 3.34Å; I847-H849 VanDerWaalsContact C-N 3.25Å; I847-H849 PolarHBondContact O-N 3.45Å; I847-Q850 PolarHBondContact O-N 3.14Å; I847-R851 PolarHBondContact O-N 3.41Å
848	I	86.4	Confident	84.6	Confident	60 Å²	60	66.2 Å²	66.2	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-65.3	-31.9	175.1	-67.6	166.9	0	0	0	111.1	S844 S845 L846	S844-I848 VanDerWaalsContact O-CG1 3.3Å; S844-I848 WeakPolarHBondContact O-CG1 3.43Å; S844-I848 PolarHBondContact O-N 2.89Å; S845-I848 PolarHBondContact O-N 3.29Å; L846-I848 PolarHBondContact O-N 3.25Å
849	H	86.6	Confident	84.5	Confident	24 Å²	24	63.8 Å²	63.8	11%	0.111	35%	0.349	C	S	.	.	H	α-helix	trans	-75.4	-37.9	174.9	173.5	50.9	0	0	0	113.4	C836 F840 S845 L846 I847 R851 T852 H853	C836-H849 PolarHBondContact SG-NE2 3.15Å; F840-H849 HydrophobicContact CE1-CB 4.17Å; F840-H849 HydrophobicContact CE2-CB 4.07Å; F840-H849 AromaticContact CE2-CD2 3.29Å; F840-H849 WeakPolarHBondContact CE2-CD2 3.46Å; F840-H849 AromaticContact CE2-CG 3.83Å; F840-H849 HydrophobicContact CZ-CB 3.64Å; F840-H849 AromaticContact CZ-CD2 3.31Å; F840-H849 WeakPolarHBondContact CZ-CD2 3.33Å; F840-H849 AromaticContact CZ-CG 3.41Å; F840-H849 VanDerWaalsContact CZ-CG 3.41Å; S845-H849 VanDerWaalsContact O-CB 3.32Å; S845-H849 WeakPolarHBondContact O-CB 3.28Å; S845-H849 PolarHBondContact O-N 3.22Å; L846-H849 CarbonylContact O-C 3.53Å; L846-H849 WeakPolarHBondContact O-CA 3.28Å; L846-H849 WeakPolarHBondContact O-CB 3.17Å; L846-H849 PolarHBondContact O-N 3.42Å; I847-H849 VanDerWaalsContact C-N 3.25Å; I847-H849 PolarHBondContact O-N 3.45Å; H849-R851 PolarHBondContact O-N 2.9Å; H849-T852 PolarHBondContact ND1-OG1 3.32Å; H849-T852 VanDerWaalsContact ND1-OG1 3.12Å; H849-T852 WeakPolarHBondContact O-CA 3.49Å; H849-T852 WeakPolarHBondContact O-CB 3.37Å; H849-T852 PolarHBondContact O-N 3.26Å; H849-T852 PolarHBondContact O-OG1 3.28Å; H849-H853 AromaticContact CD2-NE2 3.88Å; H849-H853 AromaticContact CE1-CE1 3.56Å; H849-H853 AromaticContact CE1-NE2 3.2Å; H849-H853 PolarHBondContact CE1-NE2 3.26Å; H849-H853 AromaticContact NE2-CE1 3.77Å; H849-H853 AromaticContact NE2-NE2 3.05Å; H849-H853 PolarHBondContact NE2-NE2 3.29Å
850	Q	85.5	Confident	84.6	Confident	72 Å²	72	67.5 Å²	67.5	34%	0.336	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-34.3	176.2	-72	176.3	-69.9	0	0	111.7	L846 I847 T852 H853 T854	L846-Q850 HydrophobicContact CD1-CG 3.98Å; L846-Q850 HydrophobicContact CG-CG 4.38Å; L846-Q850 WeakPolarHBondContact O-CG 3.47Å; L846-Q850 PolarHBondContact O-N 3.43Å; I847-Q850 PolarHBondContact O-N 3.14Å; Q850-T852 PolarHBondContact O-N 3.09Å; Q850-T852 VanDerWaalsContact O-N 3.08Å; Q850-H853 PolarHBondContact O-N 3.44Å; Q850-T854 PolarHBondContact O-N 2.86Å; Q850-T854 VanDerWaalsContact O-N 3.08Å
851	R	86.7	Confident	84.7	Confident	51 Å²	51	65.2 Å²	65.2	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-60.8	-13.3	169.7	-67.5	-175.1	175.2	154.3	5.9	115.3	I847 H849 G855 E856 T869	I847-R851 PolarHBondContact O-N 3.41Å; H849-R851 PolarHBondContact O-N 2.9Å; R851-G855 CarbonylContact O-C 3.24Å; R851-G855 WeakPolarHBondContact O-CA 3.27Å; R851-G855 PolarHBondContact O-N 3.4Å; R851-E856 HydrophobicContact CB-CB 4.27Å; R851-E856 HydrophobicContact CG-CB 3.97Å; R851-E856 IonicContact NE-OE2 3.73Å; R851-E856 PolarHBondContact O-N 2.84Å; R851-T869 HydrophobicContact CB-CG2 4.24Å; R851-T869 PolarHBondContact NH1-O 3.3Å
852	T	84.3	Confident	84.6	Confident	83 Å²	83	67.4 Å²	67.4	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-83.1	-21.2	171.9	68.1	0	0	0	0	113	H849 Q850	H849-T852 PolarHBondContact ND1-OG1 3.32Å; H849-T852 VanDerWaalsContact ND1-OG1 3.12Å; H849-T852 WeakPolarHBondContact O-CA 3.49Å; H849-T852 WeakPolarHBondContact O-CB 3.37Å; H849-T852 PolarHBondContact O-N 3.26Å; H849-T852 PolarHBondContact O-OG1 3.28Å; Q850-T852 PolarHBondContact O-N 3.09Å; Q850-T852 VanDerWaalsContact O-N 3.08Å
853	H	83.4	Confident	84.4	Confident	76 Å²	76	68.3 Å²	68.3	35%	0.352	38%	0.384	S	S	.	.	H	α-helix	trans	-88.4	-46.8	172.7	-54.5	-53.8	0	0	0	111.2	C833 E835 C836 H849 Q850 G855	C833-H853 PolarHBondContact SG-NE2 2.91Å; C833-H853 VanDerWaalsContact SG-NE2 3.41Å; E835-H853 WeakPolarHBondContact OE1-CB 3.39Å; E835-H853 IonicContact OE2-CD2 2.68Å; E835-H853 PolarHBondContact OE2-CD2 3.2Å; E835-H853 VanDerWaalsContact OE2-CD2 3.3Å; C836-H853 VanDerWaalsContact SG-CE1 3.52Å; C836-H853 PolarHBondContact SG-NE2 3.11Å; C836-H853 VanDerWaalsContact SG-NE2 3.35Å; H849-H853 AromaticContact CD2-NE2 3.88Å; H849-H853 AromaticContact CE1-CE1 3.56Å; H849-H853 AromaticContact CE1-NE2 3.2Å; H849-H853 PolarHBondContact CE1-NE2 3.26Å; H849-H853 AromaticContact NE2-CE1 3.77Å; H849-H853 AromaticContact NE2-NE2 3.05Å; H849-H853 PolarHBondContact NE2-NE2 3.29Å; Q850-H853 PolarHBondContact O-N 3.44Å; H853-G855 PolarHBondContact O-N 2.91Å
854	T	81.1	Confident	84.3	Confident	82 Å²	82	68 Å²	68	50%	0.503	38%	0.381	S	S	.	.	S	Bend	trans	-73.9	-10.7	177.8	66.8	0	0	0	0	113.9	Q850 E856	Q850-T854 PolarHBondContact O-N 2.86Å; Q850-T854 VanDerWaalsContact O-N 3.08Å; T854-E856 PolarHBondContact O-N 2.8Å; T854-E856 VanDerWaalsContact O-N 3.15Å; T854-E856 WeakPolarHBondContact OG1-CG 3.33Å
855	G	82.1	Confident	84.1	Confident	43 Å²	43	67.2 Å²	67.2	44%	0.443	38%	0.381	S	S	.	.			trans	70.7	-0.9	-176.7	0	0	0	0	0	115.2	R851 H853 K857	R851-G855 CarbonylContact O-C 3.24Å; R851-G855 WeakPolarHBondContact O-CA 3.27Å; R851-G855 PolarHBondContact O-N 3.4Å; H853-G855 PolarHBondContact O-N 2.91Å; G855-K857 PolarHBondContact O-N 2.95Å
856	E	79.9	Confident	84	Confident	105 Å²	105	71 Å²	71	49%	0.491	39%	0.393	S	S	.	.			trans	-55.4	121.2	-177.4	-83.3	-174	-171.5	0	0	112.8	R851 T854 P858	R851-E856 HydrophobicContact CB-CB 4.27Å; R851-E856 HydrophobicContact CG-CB 3.97Å; R851-E856 IonicContact NE-OE2 3.73Å; R851-E856 PolarHBondContact O-N 2.84Å; T854-E856 PolarHBondContact O-N 2.8Å; T854-E856 VanDerWaalsContact O-N 3.15Å; T854-E856 WeakPolarHBondContact OG1-CG 3.33Å; E856-P858 WeakPolarHBondContact O-CD 3.27Å
857	K	84.3	Confident	83.9	Confident	121 Å²	121	72 Å²	72	53%	0.526	40%	0.401	S	S	.	.			trans	-124.1	75.3	175.8	-70.9	159.1	-179.6	172.3	0	110.7	G855 Y859 F868 T869	G855-K857 PolarHBondContact O-N 2.95Å; K857-Y859 PolarHBondContact O-N 3.46Å; K857-F868 CarbonylContact C-O 3.52Å; K857-F868 VanDerWaalsContact C-O 3.25Å; K857-F868 VanDerWaalsContact CA-O 3.31Å; K857-F868 WeakPolarHBondContact CA-O 3.27Å; K857-T869 HydrophobicContact CG-CG2 3.94Å
858	P	82.6	Confident	83.8	Confident	71 Å²	71	70.1 Å²	70.1	46%	0.461	39%	0.39	S	S	.	.			trans	-68.1	-8.8	-170	-21.4	35.1	0	0	0	115.3	E856	E856-P858 WeakPolarHBondContact O-CD 3.27Å
859	Y	83.7	Confident	83.6	Confident	74 Å²	74	68.6 Å²	68.6	29%	0.29	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	86.7	-176	-52.2	-73.8	0	0	0	110	K857 S867 F868 N870 S871 F874	K857-Y859 PolarHBondContact O-N 3.46Å; Y859-S867 WeakPolarHBondContact O-CA 3.46Å; Y859-F868 WeakPolarHBondContact CD2-O 3.2Å; Y859-F868 PolarHBondContact N-O 3.41Å; Y859-F868 PolarHBondContact O-N 3.3Å; Y859-N870 VanDerWaalsContact CD2-C 3.46Å; Y859-S871 VanDerWaalsContact CE2-N 3.3Å; Y859-F874 HydrophobicContact CD1-CD1 4.41Å; Y859-F874 HydrophobicContact CG-CB 4.4Å; Y859-F874 HydrophobicContact CG-CD1 4.48Å
860	Q	85.3	Confident	83.5	Confident	124 Å²	124	69 Å²	69	58%	0.579	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.1	175.6	-172.4	164.4	34.5	0	0	111.6	G865 S867	Q860-G865 PolarHBondContact NE2-O 3.12Å; Q860-S867 WeakPolarHBondContact CB-OG 3.28Å; Q860-S867 VanDerWaalsContact CG-OG 3.31Å; Q860-S867 WeakPolarHBondContact CG-OG 3.45Å; Q860-S867 PolarHBondContact NE2-OG 2.82Å
861	C	87.7	Confident	83.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.386	C	S	.	.			trans	-83.1	123	168.5	167.3	0	0	0	0	110.2	E863 C864 G865 K866 F874 H881	C861-E863 VanDerWaalsContact C-N 3.35Å; C861-E863 PolarHBondContact SG-N 2.96Å; C861-E863 VanDerWaalsContact SG-N 3.42Å; C861-E863 PolarHBondContact SG-OE2 2.99Å; C861-C864 PolarHBondContact SG-N 3.37Å; C861-G865 WeakPolarHBondContact O-CA 3.32Å; C861-G865 PolarHBondContact O-N 2.91Å; C861-K866 WeakPolarHBondContact CB-O 3.39Å; C861-K866 PolarHBondContact N-O 3.43Å; C861-F874 HydrophobicContact CB-CD2 4.34Å; C861-F874 HydrophobicContact CB-CE2 3.91Å; C861-H881 VanDerWaalsContact SG-CD2 3.53Å; C861-H881 PolarHBondContact SG-NE2 3.23Å
862	G	80.8	Confident	83.1	Confident	80 Å²	80	69.2 Å²	69.2	83%	0.825	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.4	175.4	0	0	0	0	0	112.9	C864	G862-C864 VanDerWaalsContact C-N 3.34Å; G862-C864 PolarHBondContact O-N 3.49Å
863	E	81.1	Confident	82.9	Confident	102 Å²	102	70.7 Å²	70.7	48%	0.477	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	-174.8	-55.5	119.4	133	0	0	113.9	C861 H881	C861-E863 VanDerWaalsContact C-N 3.35Å; C861-E863 PolarHBondContact SG-N 2.96Å; C861-E863 VanDerWaalsContact SG-N 3.42Å; C861-E863 PolarHBondContact SG-OE2 2.99Å; E863-H881 HydrophobicContact CB-CB 4.33Å; E863-H881 HydrophobicContact CG-CB 4.29Å; E863-H881 IonicContact OE1-CD2 2.94Å; E863-H881 IonicContact OE2-CD2 3.63Å; E863-H881 PolarHBondContact OE2-CD2 2.95Å
864	C	83.6	Confident	83	Confident	51 Å²	51	68.7 Å²	68.7	35%	0.345	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	13.3	-179.2	73.9	0	0	0	0	115.6	C861 G862 K866 H877 H881	C861-C864 PolarHBondContact SG-N 3.37Å; G862-C864 VanDerWaalsContact C-N 3.34Å; G862-C864 PolarHBondContact O-N 3.49Å; C864-K866 PolarHBondContact O-N 2.82Å; C864-H877 PolarHBondContact SG-NE2 3.32Å; C864-H881 VanDerWaalsContact SG-CE1 3.55Å; C864-H881 PolarHBondContact SG-NE2 3.47Å; C864-H881 VanDerWaalsContact SG-NE2 3.37Å
865	G	80.3	Confident	83	Confident	37 Å²	37	66.7 Å²	66.7	38%	0.381	38%	0.384	S	S	.	.			trans	68.7	-7.8	177	0	0	0	0	0	116.6	Q860 C861 S867	Q860-G865 PolarHBondContact NE2-O 3.12Å; C861-G865 WeakPolarHBondContact O-CA 3.32Å; C861-G865 PolarHBondContact O-N 2.91Å; G865-S867 PolarHBondContact O-N 3.15Å; G865-S867 PolarHBondContact O-OG 3.1Å
866	K	84.6	Confident	82.9	Confident	126 Å²	126	66.5 Å²	66.5	55%	0.548	38%	0.379	S	S	.	.			trans	-66.5	127.8	-176.2	-69	176.4	-174.2	169.5	0	111.6	C861 C864 F868	C861-K866 WeakPolarHBondContact CB-O 3.39Å; C861-K866 PolarHBondContact N-O 3.43Å; C864-K866 PolarHBondContact O-N 2.82Å; K866-F868 HydrophobicContact CB-CE2 3.85Å; K866-F868 HydrophobicContact CB-CZ 4.09Å; K866-F868 WeakPolarHBondContact O-CE2 3.31Å
867	S	84.9	Confident	83	Confident	42 Å²	42	62.8 Å²	62.8	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.7	-176.9	-49	0	0	0	0	112.8	Y859 Q860 G865	Y859-S867 WeakPolarHBondContact O-CA 3.46Å; Q860-S867 WeakPolarHBondContact CB-OG 3.28Å; Q860-S867 VanDerWaalsContact CG-OG 3.31Å; Q860-S867 WeakPolarHBondContact CG-OG 3.45Å; Q860-S867 PolarHBondContact NE2-OG 2.82Å; G865-S867 PolarHBondContact O-N 3.15Å; G865-S867 PolarHBondContact O-OG 3.1Å
868	F	84.1	Confident	82.8	Confident	48 Å²	48	61.4 Å²	61.4	21%	0.211	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.5	-173.2	-57.7	-96.7	0	0	0	111.8	K857 Y859 K866 H873 F874 H877	K857-F868 CarbonylContact C-O 3.52Å; K857-F868 VanDerWaalsContact C-O 3.25Å; K857-F868 VanDerWaalsContact CA-O 3.31Å; K857-F868 WeakPolarHBondContact CA-O 3.27Å; Y859-F868 WeakPolarHBondContact CD2-O 3.2Å; Y859-F868 PolarHBondContact N-O 3.41Å; Y859-F868 PolarHBondContact O-N 3.3Å; K866-F868 HydrophobicContact CB-CE2 3.85Å; K866-F868 HydrophobicContact CB-CZ 4.09Å; K866-F868 WeakPolarHBondContact O-CE2 3.31Å; F868-H873 HydrophobicContact CD1-CB 4.04Å; F868-F874 HydrophobicContact CB-CB 4.17Å; F868-F874 HydrophobicContact CD2-CB 4.05Å; F868-F874 HydrophobicContact CD2-CD2 4.23Å; F868-F874 HydrophobicContact CG-CB 4.25Å; F868-H877 HydrophobicContact CE1-CB 4.22Å; F868-H877 HydrophobicContact CE2-CB 4.06Å; F868-H877 AromaticContact CE2-CD2 3.26Å; F868-H877 WeakPolarHBondContact CE2-CD2 3.5Å; F868-H877 AromaticContact CE2-CG 3.76Å; F868-H877 HydrophobicContact CZ-CB 3.67Å; F868-H877 AromaticContact CZ-CD2 3.38Å; F868-H877 WeakPolarHBondContact CZ-CD2 3.34Å; F868-H877 AromaticContact CZ-CG 3.42Å; F868-H877 VanDerWaalsContact CZ-CG 3.42Å
869	T	83.7	Confident	82.7	Confident	29 Å²	29	61.6 Å²	61.6	18%	0.178	34%	0.344	C	S	.	.	S	Bend	trans	-77.8	-22	176.1	58.2	0	0	0	0	113.2	R851 K857	R851-T869 HydrophobicContact CB-CG2 4.24Å; R851-T869 PolarHBondContact NH1-O 3.3Å; K857-T869 HydrophobicContact CG-CG2 3.94Å
870	N	84.2	Confident	82.4	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	36%	0.358	C	S	.	.	S	Bend	trans	-128.4	131.7	-173.3	-178.4	9.3	0	0	0	112.2	Y859 S872 H873 F874	Y859-N870 VanDerWaalsContact CD2-C 3.46Å; N870-S872 VanDerWaalsContact C-N 3.3Å; N870-S872 PolarHBondContact O-N 2.82Å; N870-S872 PolarHBondContact OD1-N 2.99Å; N870-H873 PolarHBondContact O-N 3.38Å; N870-F874 PolarHBondContact O-N 3.27Å; N870-F874 VanDerWaalsContact O-N 3.12Å
871	S	82.3	Confident	82.1	Confident	47 Å²	47	60.2 Å²	60.2	33%	0.329	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-33.9	178.9	-172.9	0	0	0	0	113.4	Y859 F874 S875	Y859-S871 VanDerWaalsContact CE2-N 3.3Å; S871-F874 PolarHBondContact O-N 2.9Å; S871-S875 WeakPolarHBondContact O-CB 3.41Å; S871-S875 PolarHBondContact O-N 3.49Å; S871-S875 PolarHBondContact O-OG 3.45Å
872	S	80.2	Confident	81.3	Confident	80 Å²	80	63.5 Å²	63.5	56%	0.559	37%	0.366	S	S	*	.	H	α-helix	trans	-65.3	-40.6	177.6	-52.2	0	0	0	0	111.7	N870 S875 A876	N870-S872 VanDerWaalsContact C-N 3.3Å; N870-S872 PolarHBondContact O-N 2.82Å; N870-S872 PolarHBondContact OD1-N 2.99Å; S872-S875 PolarHBondContact O-N 3.38Å; S872-A876 WeakPolarHBondContact O-CB 3.29Å; S872-A876 PolarHBondContact O-N 3.49Å
873	H	81.8	Confident	80.9	Confident	114 Å²	114	62 Å²	62	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-42	177.4	-64	-179.7	0	0	0	110.9	F868 N870 S875 A876 H877	F868-H873 HydrophobicContact CD1-CB 4.04Å; N870-H873 PolarHBondContact O-N 3.38Å; H873-S875 PolarHBondContact O-N 2.93Å; H873-A876 PolarHBondContact O-N 2.93Å; H873-H877 VanDerWaalsContact O-CB 3.28Å; H873-H877 WeakPolarHBondContact O-CB 3.43Å; H873-H877 PolarHBondContact O-N 2.71Å
874	F	84.7	Confident	80.5	Confident	35 Å²	35	62.3 Å²	62.3	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-43.8	173	167.8	-125.3	0	0	0	112.5	Y859 C861 F868 N870 S871 H877 R878	Y859-F874 HydrophobicContact CD1-CD1 4.41Å; Y859-F874 HydrophobicContact CG-CB 4.4Å; Y859-F874 HydrophobicContact CG-CD1 4.48Å; C861-F874 HydrophobicContact CB-CD2 4.34Å; C861-F874 HydrophobicContact CB-CE2 3.91Å; F868-F874 HydrophobicContact CB-CB 4.17Å; F868-F874 HydrophobicContact CD2-CB 4.05Å; F868-F874 HydrophobicContact CD2-CD2 4.23Å; F868-F874 HydrophobicContact CG-CB 4.25Å; N870-F874 PolarHBondContact O-N 3.27Å; N870-F874 VanDerWaalsContact O-N 3.12Å; S871-F874 PolarHBondContact O-N 2.9Å; F874-H877 WeakPolarHBondContact O-CB 3.44Å; F874-H877 PolarHBondContact O-N 2.85Å; F874-R878 VanDerWaalsContact CE1-NH1 3.33Å; F874-R878 PolarHBondContact O-N 2.93Å
875	S	81.3	Confident	80	Confident	39 Å²	39	62.8 Å²	62.8	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-71.4	-36.2	-179.1	-59.4	0	0	0	0	112.7	S871 S872 H873 H877	S871-S875 WeakPolarHBondContact O-CB 3.41Å; S871-S875 PolarHBondContact O-N 3.49Å; S871-S875 PolarHBondContact O-OG 3.45Å; S872-S875 PolarHBondContact O-N 3.38Å; H873-S875 PolarHBondContact O-N 2.93Å; S875-H877 VanDerWaalsContact C-N 3.3Å
876	A	79.1	Confident	79.8	Confident	40 Å²	40	64.6 Å²	64.6	33%	0.331	36%	0.357	S	S	.	.	H	α-helix	trans	-67.3	-31.1	170.1	0	0	0	0	0	112.5	S872 H873	S872-A876 WeakPolarHBondContact O-CB 3.29Å; S872-A876 PolarHBondContact O-N 3.49Å; H873-A876 PolarHBondContact O-N 2.93Å
877	H	83.6	Confident	79.3	Confident	26 Å²	26	62.2 Å²	62.2	12%	0.12	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-41.6	174.3	171.5	52.3	0	0	0	112.8	C864 F868 H873 F874 S875 R879 V880 H881	C864-H877 PolarHBondContact SG-NE2 3.32Å; F868-H877 HydrophobicContact CE1-CB 4.22Å; F868-H877 HydrophobicContact CE2-CB 4.06Å; F868-H877 AromaticContact CE2-CD2 3.26Å; F868-H877 WeakPolarHBondContact CE2-CD2 3.5Å; F868-H877 AromaticContact CE2-CG 3.76Å; F868-H877 HydrophobicContact CZ-CB 3.67Å; F868-H877 AromaticContact CZ-CD2 3.38Å; F868-H877 WeakPolarHBondContact CZ-CD2 3.34Å; F868-H877 AromaticContact CZ-CG 3.42Å; F868-H877 VanDerWaalsContact CZ-CG 3.42Å; H873-H877 VanDerWaalsContact O-CB 3.28Å; H873-H877 WeakPolarHBondContact O-CB 3.43Å; H873-H877 PolarHBondContact O-N 2.71Å; F874-H877 WeakPolarHBondContact O-CB 3.44Å; F874-H877 PolarHBondContact O-N 2.85Å; S875-H877 VanDerWaalsContact C-N 3.3Å; H877-R879 PolarHBondContact O-N 3.24Å; H877-V880 WeakPolarHBondContact O-CB 3.27Å; H877-V880 WeakPolarHBondContact O-CG2 3.29Å; H877-V880 PolarHBondContact O-N 2.84Å; H877-H881 AromaticContact CE1-CE1 3.69Å; H877-H881 AromaticContact CE1-NE2 3.21Å; H877-H881 PolarHBondContact CE1-NE2 2.93Å; H877-H881 AromaticContact NE2-CE1 3.95Å; H877-H881 AromaticContact NE2-NE2 3.11Å; H877-H881 PolarHBondContact NE2-NE2 3.06Å; H877-H881 VanDerWaalsContact NE2-NE2 3.11Å
878	R	80.3	Confident	79.1	Confident	93 Å²	93	67.3 Å²	67.3	35%	0.351	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-33.6	179.8	-170.6	172.2	64	-100.1	-1.2	112.7	F874 V880 H881 T882	F874-R878 VanDerWaalsContact CE1-NH1 3.33Å; F874-R878 PolarHBondContact O-N 2.93Å; R878-V880 PolarHBondContact O-N 3.27Å; R878-V880 VanDerWaalsContact O-N 3.12Å; R878-H881 PolarHBondContact O-N 3.23Å; R878-T882 PolarHBondContact O-N 2.85Å
879	R	80	Confident	79.1	Confident	75 Å²	75	65.2 Å²	65.2	28%	0.283	35%	0.353	S	S	.	.	H	α-helix	trans	-57.5	-20.6	171.1	-72.4	-176.1	-178.4	160.2	1.2	115	H877 H881 T882 G883 E884 S897	H877-R879 PolarHBondContact O-N 3.24Å; R879-H881 VanDerWaalsContact C-N 3.34Å; R879-T882 WeakPolarHBondContact CA-OG1 3.45Å; R879-G883 PolarHBondContact O-N 3.08Å; R879-E884 HydrophobicContact CB-CB 4.39Å; R879-E884 HydrophobicContact CG-CB 4.12Å; R879-E884 PolarHBondContact O-N 2.75Å; R879-S897 PolarHBondContact NH1-O 3.39Å
880	V	78	Confident	78.8	Confident	96 Å²	96	70.2 Å²	70.2	58%	0.582	38%	0.383	S	S	*	.	H	α-helix	trans	-72.8	-30.3	175.3	-175.5	0	0	0	0	111.1	H877 R878	H877-V880 WeakPolarHBondContact O-CB 3.27Å; H877-V880 WeakPolarHBondContact O-CG2 3.29Å; H877-V880 PolarHBondContact O-N 2.84Å; R878-V880 PolarHBondContact O-N 3.27Å; R878-V880 VanDerWaalsContact O-N 3.12Å
881	H	77.3	Confident	78.4	Confident	73 Å²	73	73.2 Å²	73.2	34%	0.338	40%	0.399	S	S	.	.	H	α-helix	trans	-86.8	-38.6	178.7	-53.6	-55	0	0	0	112.2	C861 E863 C864 H877 R878 R879 G883	C861-H881 VanDerWaalsContact SG-CD2 3.53Å; C861-H881 PolarHBondContact SG-NE2 3.23Å; E863-H881 HydrophobicContact CB-CB 4.33Å; E863-H881 HydrophobicContact CG-CB 4.29Å; E863-H881 IonicContact OE1-CD2 2.94Å; E863-H881 IonicContact OE2-CD2 3.63Å; E863-H881 PolarHBondContact OE2-CD2 2.95Å; C864-H881 VanDerWaalsContact SG-CE1 3.55Å; C864-H881 PolarHBondContact SG-NE2 3.47Å; C864-H881 VanDerWaalsContact SG-NE2 3.37Å; H877-H881 AromaticContact CE1-CE1 3.69Å; H877-H881 AromaticContact CE1-NE2 3.21Å; H877-H881 PolarHBondContact CE1-NE2 2.93Å; H877-H881 AromaticContact NE2-CE1 3.95Å; H877-H881 AromaticContact NE2-NE2 3.11Å; H877-H881 PolarHBondContact NE2-NE2 3.06Å; H877-H881 VanDerWaalsContact NE2-NE2 3.11Å; R878-H881 PolarHBondContact O-N 3.23Å; R879-H881 VanDerWaalsContact C-N 3.34Å; H881-G883 PolarHBondContact O-N 3.18Å
882	T	72.6	Confident	78.4	Confident	68 Å²	68	73 Å²	73	42%	0.417	40%	0.397	S	S	.	.	S	Bend	trans	-76.4	-7.2	176.9	59.1	0	0	0	0	113.8	R878 R879 E884	R878-T882 PolarHBondContact O-N 2.85Å; R879-T882 WeakPolarHBondContact CA-OG1 3.45Å; T882-E884 PolarHBondContact O-N 3.38Å; T882-E884 VanDerWaalsContact O-N 3.08Å; T882-E884 WeakPolarHBondContact OG1-CB 3.22Å; T882-E884 VanDerWaalsContact OG1-CG 3.32Å; T882-E884 WeakPolarHBondContact OG1-CG 3.41Å
883	G	71.7	Confident	78.1	Confident	49 Å²	49	76.9 Å²	76.9	51%	0.505	41%	0.406	S	S	.	.			trans	67.7	0.6	-174.2	0	0	0	0	0	114.6	R879 H881 N885	R879-G883 PolarHBondContact O-N 3.08Å; H881-G883 PolarHBondContact O-N 3.18Å; G883-N885 PolarHBondContact O-N 3.15Å; G883-N885 PolarHBondContact O-ND2 3.43Å
884	E	71.9	Confident	77.9	Confident	109 Å²	109	77.4 Å²	77.4	51%	0.509	41%	0.407	S	S	.	.			trans	-61.7	107.2	-178.2	-75.9	174.7	-179	0	0	111.3	R879 T882 P886	R879-E884 HydrophobicContact CB-CB 4.39Å; R879-E884 HydrophobicContact CG-CB 4.12Å; R879-E884 PolarHBondContact O-N 2.75Å; T882-E884 PolarHBondContact O-N 3.38Å; T882-E884 VanDerWaalsContact O-N 3.08Å; T882-E884 WeakPolarHBondContact OG1-CB 3.22Å; T882-E884 VanDerWaalsContact OG1-CG 3.32Å; T882-E884 WeakPolarHBondContact OG1-CG 3.41Å; E884-P886 WeakPolarHBondContact O-CD 3.45Å
885	N	74.3	Confident	77.6	Confident	61 Å²	61	78 Å²	78	33%	0.326	42%	0.416	S	S	.	.			trans	-115.8	84.4	172.3	-72.6	-68.4	0	0	0	109.4	G883 Y887 F896 S897	G883-N885 PolarHBondContact O-N 3.15Å; G883-N885 PolarHBondContact O-ND2 3.43Å; N885-Y887 PolarHBondContact O-N 3.07Å; N885-Y887 VanDerWaalsContact O-N 3.09Å; N885-F896 CarbonylContact C-O 3.59Å; N885-F896 WeakPolarHBondContact CA-O 3.36Å; N885-F896 WeakPolarHBondContact OD1-CA 3.38Å; N885-S897 WeakPolarHBondContact OD1-CA 3.5Å; N885-S897 PolarHBondContact OD1-N 3.41Å
886	P	75.1	Confident	77.4	Confident	75 Å²	75	78.4 Å²	78.4	49%	0.487	41%	0.412	S	S	.	.			trans	-68.2	-9.1	-174.2	-20.1	33.8	0	0	0	114.5	E884	E884-P886 WeakPolarHBondContact O-CD 3.45Å
887	Y	75.4	Confident	77.1	Confident	75 Å²	75	77.6 Å²	77.6	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	85.2	-175.8	-51.5	-73.8	0	0	0	109.4	N885 F896 C899 F902	N885-Y887 PolarHBondContact O-N 3.07Å; N885-Y887 VanDerWaalsContact O-N 3.09Å; Y887-F896 WeakPolarHBondContact CB-O 3.16Å; Y887-F896 WeakPolarHBondContact CD2-O 3.31Å; Y887-F896 PolarHBondContact N-O 3.45Å; Y887-F896 PolarHBondContact O-N 3.36Å; Y887-C899 HydrophobicContact CD1-CB 4.13Å; Y887-C899 HydrophobicContact CD2-CB 4.33Å; Y887-C899 HydrophobicContact CE1-CB 3.74Å; Y887-C899 HydrophobicContact CE2-CB 3.96Å; Y887-C899 HydrophobicContact CG-CB 4.41Å; Y887-F902 HydrophobicContact CD1-CD1 4.31Å; Y887-F902 HydrophobicContact CG-CB 4.41Å; Y887-F902 HydrophobicContact CG-CD1 4.39Å
888	K	79.9	Confident	76.6	Confident	150 Å²	150	79.5 Å²	79.5	65%	0.652	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.1	173	-53.9	-160.9	176.4	-178.4	0	110.3	S895 F902	K888-S895 WeakPolarHBondContact CG-OG 3.46Å; K888-F902 WeakPolarHBondContact O-CE2 3.13Å; K888-F902 WeakPolarHBondContact O-CZ 2.91Å
889	C	83.3	Confident	76.4	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.02	41%	0.413	C	S	.	.			trans	-83	132.3	164.3	-138.8	0	0	0	0	109.1	D891 E893 K894 F902 H905 H909	C889-D891 PolarHBondContact SG-OD2 2.9Å; C889-E893 WeakPolarHBondContact O-CA 3.43Å; C889-E893 PolarHBondContact O-N 3.3Å; C889-K894 WeakPolarHBondContact CB-O 3.4Å; C889-K894 PolarHBondContact N-O 3.42Å; C889-F902 HydrophobicContact CB-CE2 4.01Å; C889-H905 PolarHBondContact SG-CD2 3.1Å; C889-H909 VanDerWaalsContact SG-CD2 3.55Å
890	V	77.7	Confident	76.3	Confident	134 Å²	134	77.4 Å²	77.4	81%	0.812	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-51.9	172.8	-177.8	0	0	0	0	108.5	C892	V890-C892 PolarHBondContact O-N 3.38Å
891	D	77	Confident	76.3	Confident	96 Å²	96	80.6 Å²	80.6	51%	0.513	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.5	-171.7	-18	-61.3	0	0	0	115.9	C889 H909	C889-D891 PolarHBondContact SG-OD2 2.9Å; D891-H909 HydrophobicContact CB-CB 4.2Å; D891-H909 IonicContact OD2-CD2 2.65Å; D891-H909 PolarHBondContact OD2-CD2 2.86Å; D891-H909 IonicContact OD2-CG 3.26Å; D891-H909 IonicContact OD2-NE2 3.64Å
892	C	80.6	Confident	76.5	Confident	41 Å²	41	78.5 Å²	78.5	28%	0.277	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	27.1	171.4	78.8	0	0	0	0	114.8	V890 K894 H905 H909	V890-C892 PolarHBondContact O-N 3.38Å; C892-K894 PolarHBondContact O-N 2.89Å; C892-H905 VanDerWaalsContact SG-CE1 3.57Å; C892-H905 PolarHBondContact SG-NE2 2.74Å; C892-H909 PolarHBondContact SG-CE1 3.48Å; C892-H909 PolarHBondContact SG-NE2 2.89Å; C892-H909 VanDerWaalsContact SG-NE2 3.37Å
893	E	74.9	Confident	76.9	Confident	162 Å²	162	80.6 Å²	80.6	76%	0.757	42%	0.415	S	S	*	.			trans	58.1	-9.3	175.9	-53.9	-168.2	137.1	0	0	118.3	C889 S895	C889-E893 WeakPolarHBondContact O-CA 3.43Å; C889-E893 PolarHBondContact O-N 3.3Å; E893-S895 PolarHBondContact O-N 3.4Å; E893-S895 PolarHBondContact O-OG 2.95Å
894	K	77.3	Confident	77.3	Confident	126 Å²	126	81.6 Å²	81.6	55%	0.548	41%	0.406	S	S	.	.			trans	-59.8	124.3	-176.6	-75	171.8	-167.7	155.6	0	110.4	C889 C892 F896	C889-K894 WeakPolarHBondContact CB-O 3.4Å; C889-K894 PolarHBondContact N-O 3.42Å; C892-K894 PolarHBondContact O-N 2.89Å; K894-F896 HydrophobicContact CB-CE2 3.78Å; K894-F896 HydrophobicContact CB-CZ 3.98Å; K894-F896 WeakPolarHBondContact O-CD2 3.38Å; K894-F896 WeakPolarHBondContact O-CE2 3.43Å
895	S	78.1	Confident	77.9	Confident	48 Å²	48	77.4 Å²	77.4	34%	0.336	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.5	-170.5	-61	0	0	0	0	110.5	K888 E893	K888-S895 WeakPolarHBondContact CG-OG 3.46Å; E893-S895 PolarHBondContact O-N 3.4Å; E893-S895 PolarHBondContact O-OG 2.95Å
896	F	77.4	Confident	78.2	Confident	46 Å²	46	79.5 Å²	79.5	20%	0.202	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.9	-173.6	-57	-95.8	0	0	0	112.5	N885 Y887 K894 R901 F902 H905	N885-F896 CarbonylContact C-O 3.59Å; N885-F896 WeakPolarHBondContact CA-O 3.36Å; N885-F896 WeakPolarHBondContact OD1-CA 3.38Å; Y887-F896 WeakPolarHBondContact CB-O 3.16Å; Y887-F896 WeakPolarHBondContact CD2-O 3.31Å; Y887-F896 PolarHBondContact N-O 3.45Å; Y887-F896 PolarHBondContact O-N 3.36Å; K894-F896 HydrophobicContact CB-CE2 3.78Å; K894-F896 HydrophobicContact CB-CZ 3.98Å; K894-F896 WeakPolarHBondContact O-CD2 3.38Å; K894-F896 WeakPolarHBondContact O-CE2 3.43Å; F896-R901 HydrophobicContact CD1-CB 4.1Å; F896-F902 HydrophobicContact CB-CB 4.22Å; F896-F902 HydrophobicContact CD2-CB 4.23Å; F896-F902 HydrophobicContact CD2-CD2 4.14Å; F896-F902 HydrophobicContact CG-CB 4.37Å; F896-H905 HydrophobicContact CE1-CB 4.25Å; F896-H905 HydrophobicContact CE2-CB 3.99Å; F896-H905 AromaticContact CE2-CD2 3.22Å; F896-H905 WeakPolarHBondContact CE2-CD2 3.4Å; F896-H905 AromaticContact CE2-CG 3.69Å; F896-H905 AromaticContact CE2-NE2 3.96Å; F896-H905 HydrophobicContact CZ-CB 3.65Å; F896-H905 AromaticContact CZ-CD2 3.42Å; F896-H905 VanDerWaalsContact CZ-CD2 3.42Å; F896-H905 WeakPolarHBondContact CZ-CD2 3.16Å; F896-H905 AromaticContact CZ-CG 3.41Å; F896-H905 VanDerWaalsContact CZ-CG 3.41Å
897	S	73	Confident	78.5	Confident	24 Å²	24	77.3 Å²	77.3	17%	0.168	37%	0.372	C	S	.	.	S	Bend	trans	-83.5	-10.9	179.2	57.6	0	0	0	0	113.9	R879 N885	R879-S897 PolarHBondContact NH1-O 3.39Å; N885-S897 WeakPolarHBondContact OD1-CA 3.5Å; N885-S897 PolarHBondContact OD1-N 3.41Å
898	N	74	Confident	78.7	Confident	65 Å²	65	78.9 Å²	78.9	35%	0.348	39%	0.385	S	S	.	.	S	Bend	trans	-135.4	128.3	-177.2	-177.4	0.5	0	0	0	111.9	T900 R901 F902	N898-T900 VanDerWaalsContact C-N 3.29Å; N898-T900 PolarHBondContact ND2-OG1 3.39Å; N898-T900 VanDerWaalsContact ND2-OG1 3.15Å; N898-T900 PolarHBondContact O-N 3.07Å; N898-T900 PolarHBondContact OD1-N 2.98Å; N898-T900 VanDerWaalsContact OD1-N 3.15Å; N898-T900 PolarHBondContact OD1-OG1 3.3Å; N898-R901 PolarHBondContact O-N 3.49Å; N898-F902 PolarHBondContact O-N 2.91Å
899	C	75.2	Confident	78.6	Confident	44 Å²	44	75.2 Å²	75.2	30%	0.297	37%	0.37	S	S	.	.	H	α-helix	trans	-57.9	-33.6	-179.9	-172.7	0	0	0	0	113.6	Y887 F902 R903	Y887-C899 HydrophobicContact CD1-CB 4.13Å; Y887-C899 HydrophobicContact CD2-CB 4.33Å; Y887-C899 HydrophobicContact CE1-CB 3.74Å; Y887-C899 HydrophobicContact CE2-CB 3.96Å; Y887-C899 HydrophobicContact CG-CB 4.41Å; C899-F902 PolarHBondContact O-N 3.5Å; C899-R903 WeakPolarHBondContact O-CB 3.03Å; C899-R903 PolarHBondContact O-N 3.08Å
900	T	78.5	Confident	78.3	Confident	80 Å²	80	78.7 Å²	78.7	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-43.5	179.6	61.9	0	0	0	0	111.9	N898 F902 R903 E904	N898-T900 VanDerWaalsContact C-N 3.29Å; N898-T900 PolarHBondContact ND2-OG1 3.39Å; N898-T900 VanDerWaalsContact ND2-OG1 3.15Å; N898-T900 PolarHBondContact O-N 3.07Å; N898-T900 PolarHBondContact OD1-N 2.98Å; N898-T900 VanDerWaalsContact OD1-N 3.15Å; N898-T900 PolarHBondContact OD1-OG1 3.3Å; T900-F902 VanDerWaalsContact C-N 3.34Å; T900-R903 PolarHBondContact O-N 3.32Å; T900-E904 WeakPolarHBondContact O-CG 3.32Å; T900-E904 PolarHBondContact O-N 2.99Å
901	R	77.6	Confident	78.3	Confident	163 Å²	163	74.5 Å²	74.5	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-65.8	-37.2	175	-71.9	-175.1	175.5	174.4	-2.4	112.1	F896 N898 H905	F896-R901 HydrophobicContact CD1-CB 4.1Å; N898-R901 PolarHBondContact O-N 3.49Å; R901-H905 VanDerWaalsContact O-CB 3.29Å; R901-H905 WeakPolarHBondContact O-CB 3.43Å; R901-H905 PolarHBondContact O-N 3.3Å
902	F	81.8	Confident	78.3	Confident	29 Å²	29	73.7 Å²	73.7	13%	0.127	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-46	172.7	172.4	-126.5	0	0	0	112	Y887 K888 C889 F896 N898 C899 T900 H905 R906	Y887-F902 HydrophobicContact CD1-CD1 4.31Å; Y887-F902 HydrophobicContact CG-CB 4.41Å; Y887-F902 HydrophobicContact CG-CD1 4.39Å; K888-F902 WeakPolarHBondContact O-CE2 3.13Å; K888-F902 WeakPolarHBondContact O-CZ 2.91Å; C889-F902 HydrophobicContact CB-CE2 4.01Å; F896-F902 HydrophobicContact CB-CB 4.22Å; F896-F902 HydrophobicContact CD2-CB 4.23Å; F896-F902 HydrophobicContact CD2-CD2 4.14Å; F896-F902 HydrophobicContact CG-CB 4.37Å; N898-F902 PolarHBondContact O-N 2.91Å; C899-F902 PolarHBondContact O-N 3.5Å; T900-F902 VanDerWaalsContact C-N 3.34Å; F902-H905 WeakPolarHBondContact O-CB 3.36Å; F902-H905 PolarHBondContact O-N 3.18Å; F902-H905 VanDerWaalsContact O-N 3.16Å; F902-R906 PolarHBondContact O-N 3.37Å
903	R	79.9	Confident	78.3	Confident	112 Å²	112	77.3 Å²	77.3	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-42.7	176.4	-168.4	-178.1	-69.3	-167.5	-5.5	112.1	C634 C899 T900 H905 R906 R907	C634-R903 PolarHBondContact O-NH1 3.28Å; C899-R903 WeakPolarHBondContact O-CB 3.03Å; C899-R903 PolarHBondContact O-N 3.08Å; T900-R903 PolarHBondContact O-N 3.32Å; R903-H905 VanDerWaalsContact C-N 3.27Å; R903-H905 PolarHBondContact O-N 2.63Å; R903-R906 PolarHBondContact O-N 3.3Å; R903-R907 WeakPolarHBondContact O-CG 3.41Å; R903-R907 PolarHBondContact O-N 3.26Å
904	E	80.7	Confident	78.6	Confident	71 Å²	71	71.2 Å²	71.2	33%	0.332	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-35.1	172	-77.5	178.1	-141.2	0	0	112.9	T900 K926	T900-E904 WeakPolarHBondContact O-CG 3.32Å; T900-E904 PolarHBondContact O-N 2.99Å; E904-K926 VanDerWaalsContact OE2-CE 3.24Å; E904-K926 WeakPolarHBondContact OE2-CE 3.2Å; E904-K926 IonicContact OE2-NZ 3.9Å; E904-K926 PolarHBondContact OE2-NZ 2.89Å
905	H	83.6	Confident	78.7	Confident	20 Å²	20	66.6 Å²	66.6	9%	0.093	33%	0.332	C	S	.	.	H	α-helix	trans	-73.8	-42.8	177.5	172.5	54.2	0	0	0	112.1	C889 C892 F896 R901 F902 R903 R907 I908 H909	C889-H905 PolarHBondContact SG-CD2 3.1Å; C892-H905 VanDerWaalsContact SG-CE1 3.57Å; C892-H905 PolarHBondContact SG-NE2 2.74Å; F896-H905 HydrophobicContact CE1-CB 4.25Å; F896-H905 HydrophobicContact CE2-CB 3.99Å; F896-H905 AromaticContact CE2-CD2 3.22Å; F896-H905 WeakPolarHBondContact CE2-CD2 3.4Å; F896-H905 AromaticContact CE2-CG 3.69Å; F896-H905 AromaticContact CE2-NE2 3.96Å; F896-H905 HydrophobicContact CZ-CB 3.65Å; F896-H905 AromaticContact CZ-CD2 3.42Å; F896-H905 VanDerWaalsContact CZ-CD2 3.42Å; F896-H905 WeakPolarHBondContact CZ-CD2 3.16Å; F896-H905 AromaticContact CZ-CG 3.41Å; F896-H905 VanDerWaalsContact CZ-CG 3.41Å; R901-H905 VanDerWaalsContact O-CB 3.29Å; R901-H905 WeakPolarHBondContact O-CB 3.43Å; R901-H905 PolarHBondContact O-N 3.3Å; F902-H905 WeakPolarHBondContact O-CB 3.36Å; F902-H905 PolarHBondContact O-N 3.18Å; F902-H905 VanDerWaalsContact O-N 3.16Å; R903-H905 VanDerWaalsContact C-N 3.27Å; R903-H905 PolarHBondContact O-N 2.63Å; H905-R907 PolarHBondContact O-N 2.95Å; H905-I908 WeakPolarHBondContact O-CB 3.18Å; H905-I908 VanDerWaalsContact O-CG1 3.28Å; H905-I908 WeakPolarHBondContact O-CG1 3.43Å; H905-I908 PolarHBondContact O-N 2.91Å; H905-H909 AromaticContact CE1-CE1 3.85Å; H905-H909 AromaticContact CE1-NE2 3.34Å; H905-H909 PolarHBondContact CE1-NE2 2.98Å; H905-H909 VanDerWaalsContact CE1-NE2 3.34Å; H905-H909 AromaticContact NE2-NE2 3.21Å; H905-H909 PolarHBondContact NE2-NE2 3.22Å
906	R	80.3	Confident	79	Confident	106 Å²	106	65.3 Å²	65.3	40%	0.4	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-31.4	179	-165	174.2	70.1	-157	11	112.8	F902 R903 I908 H909 T910	F902-R906 PolarHBondContact O-N 3.37Å; R903-R906 PolarHBondContact O-N 3.3Å; R906-I908 PolarHBondContact O-N 3.4Å; R906-I908 VanDerWaalsContact O-N 3.08Å; R906-H909 PolarHBondContact O-N 3.41Å; R906-T910 HydrophobicContact CG-CG2 4.35Å; R906-T910 PolarHBondContact O-N 3.14Å; R906-T910 PolarHBondContact O-OG1 3.1Å
907	R	82.1	Confident	79.4	Confident	28 Å²	28	63.3 Å²	63.3	11%	0.106	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-10	169.5	-69.9	-178.7	171.2	170.7	-3.3	114.5	D632 R903 H905 E912 Y915	D632-R907 IonicContact OD2-NH2 3.88Å; D632-R907 PolarHBondContact OD2-NH2 2.87Å; R903-R907 WeakPolarHBondContact O-CG 3.41Å; R903-R907 PolarHBondContact O-N 3.26Å; H905-R907 PolarHBondContact O-N 2.95Å; R907-E912 HydrophobicContact CB-CB 4.12Å; R907-E912 HydrophobicContact CG-CB 3.83Å; R907-E912 IonicContact NE-OE2 3.71Å; R907-E912 PolarHBondContact O-N 3.08Å; R907-Y915 PolarHBondContact NH1-OH 3.38Å; R907-Y915 VanDerWaalsContact NH1-OH 3.11Å
908	I	79.6	Confident	79.7	Confident	109 Å²	109	66.4 Å²	66.4	56%	0.559	35%	0.345	S	S	*	.	H	α-helix	trans	-79	-40.5	170.2	-56.1	175.8	0	0	0	110	H905 R906	H905-I908 WeakPolarHBondContact O-CB 3.18Å; H905-I908 VanDerWaalsContact O-CG1 3.28Å; H905-I908 WeakPolarHBondContact O-CG1 3.43Å; H905-I908 PolarHBondContact O-N 2.91Å; R906-I908 PolarHBondContact O-N 3.4Å; R906-I908 VanDerWaalsContact O-N 3.08Å
909	H	79	Confident	79.7	Confident	73 Å²	73	69.4 Å²	69.4	34%	0.338	36%	0.357	S	S	.	.	H	α-helix	trans	-79.8	-43.1	-178.6	-53.7	-51.7	0	0	0	112.1	C889 D891 C892 H905 R906 G911	C889-H909 VanDerWaalsContact SG-CD2 3.55Å; D891-H909 HydrophobicContact CB-CB 4.2Å; D891-H909 IonicContact OD2-CD2 2.65Å; D891-H909 PolarHBondContact OD2-CD2 2.86Å; D891-H909 IonicContact OD2-CG 3.26Å; D891-H909 IonicContact OD2-NE2 3.64Å; C892-H909 PolarHBondContact SG-CE1 3.48Å; C892-H909 PolarHBondContact SG-NE2 2.89Å; C892-H909 VanDerWaalsContact SG-NE2 3.37Å; H905-H909 AromaticContact CE1-CE1 3.85Å; H905-H909 AromaticContact CE1-NE2 3.34Å; H905-H909 PolarHBondContact CE1-NE2 2.98Å; H905-H909 VanDerWaalsContact CE1-NE2 3.34Å; H905-H909 AromaticContact NE2-NE2 3.21Å; H905-H909 PolarHBondContact NE2-NE2 3.22Å; R906-H909 PolarHBondContact O-N 3.41Å; H909-G911 PolarHBondContact O-N 2.91Å
910	T	76.1	Confident	80	Confident	76 Å²	76	69.5 Å²	69.5	47%	0.466	36%	0.358	S	S	.	.	S	Bend	trans	-76.2	-3.2	176.4	61.8	0	0	0	0	113.6	R906 E912	R906-T910 HydrophobicContact CG-CG2 4.35Å; R906-T910 PolarHBondContact O-N 3.14Å; R906-T910 PolarHBondContact O-OG1 3.1Å; T910-E912 WeakPolarHBondContact CB-OE1 3.14Å; T910-E912 PolarHBondContact O-N 2.88Å; T910-E912 VanDerWaalsContact OG1-CD 3.27Å; T910-E912 WeakPolarHBondContact OG1-CG 3.44Å; T910-E912 PolarHBondContact OG1-OE1 3.03Å
911	G	77.4	Confident	80	Confident	45 Å²	45	68.3 Å²	68.3	46%	0.464	36%	0.361	S	S	.	.			trans	65.2	-1.3	-176.6	0	0	0	0	0	115.5	H909 K913	H909-G911 PolarHBondContact O-N 2.91Å; G911-K913 PolarHBondContact O-N 3.31Å
912	E	77.1	Confident	80.3	Confident	80 Å²	80	66.6 Å²	66.6	37%	0.374	36%	0.358	S	S	.	.			trans	-51.8	119.9	-174.7	-85.9	170.8	-114.3	0	0	113	R907 T910 P914	R907-E912 HydrophobicContact CB-CB 4.12Å; R907-E912 HydrophobicContact CG-CB 3.83Å; R907-E912 IonicContact NE-OE2 3.71Å; R907-E912 PolarHBondContact O-N 3.08Å; T910-E912 WeakPolarHBondContact CB-OE1 3.14Å; T910-E912 PolarHBondContact O-N 2.88Å; T910-E912 VanDerWaalsContact OG1-CD 3.27Å; T910-E912 WeakPolarHBondContact OG1-CG 3.44Å; T910-E912 PolarHBondContact OG1-OE1 3.03Å; E912-P914 WeakPolarHBondContact O-CD 3.38Å
913	K	80.8	Confident	80.3	Confident	117 Å²	117	72.3 Å²	72.3	51%	0.509	38%	0.379	S	S	.	.			trans	-123.1	78.6	172.8	-69.8	158.6	-179.3	172.1	0	109.9	G911 Y915 R923 F924	G911-K913 PolarHBondContact O-N 3.31Å; K913-Y915 VanDerWaalsContact C-N 3.32Å; K913-Y915 PolarHBondContact O-N 3.41Å; K913-R923 HydrophobicContact CB-CB 3.58Å; K913-R923 HydrophobicContact CD-CB 4.45Å; K913-R923 PolarHBondContact O-NE 3.19Å; K913-R923 PolarHBondContact O-NH2 3.41Å; K913-R923 VanDerWaalsContact O-NH2 3.11Å; K913-F924 CarbonylContact C-O 3.58Å; K913-F924 VanDerWaalsContact C-O 3.31Å; K913-F924 VanDerWaalsContact CA-O 3.29Å; K913-F924 WeakPolarHBondContact CA-O 3.17Å
914	P	80.9	Confident	80.4	Confident	33 Å²	33	68.9 Å²	68.9	21%	0.214	37%	0.367	C	S	.	.			trans	-65	-35.2	-175.7	-24.4	37.2	0	0	0	112.9	E912 G916 R923	E912-P914 WeakPolarHBondContact O-CD 3.38Å; P914-G916 PolarHBondContact O-N 3.2Å; P914-G916 VanDerWaalsContact O-N 3.1Å; P914-R923 PolarHBondContact O-NH2 3.43Å
915	Y	80.2	Confident	80.4	Confident	30 Å²	30	68 Å²	68	12%	0.118	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	90.1	-170	-50.4	-72.7	0	0	0	111.2	R907 K913 F924 N925 S927	R907-Y915 PolarHBondContact NH1-OH 3.38Å; R907-Y915 VanDerWaalsContact NH1-OH 3.11Å; K913-Y915 VanDerWaalsContact C-N 3.32Å; K913-Y915 PolarHBondContact O-N 3.41Å; Y915-F924 WeakPolarHBondContact CD2-O 3.19Å; Y915-F924 PolarHBondContact N-O 2.73Å; Y915-F924 VanDerWaalsContact N-O 3.16Å; Y915-F924 PolarHBondContact O-N 3Å; Y915-N925 WeakPolarHBondContact CE2-O 3.18Å; Y915-S927 VanDerWaalsContact CD2-N 3.31Å
916	G	83.1	Confident	80.3	Confident	21 Å²	21	70.7 Å²	70.7	22%	0.216	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144.3	174	0	0	0	0	0	113.7	P914 L930	P914-G916 PolarHBondContact O-N 3.2Å; P914-G916 VanDerWaalsContact O-N 3.1Å; G916-L930 VanDerWaalsContact O-CD2 3.27Å; G916-L930 WeakPolarHBondContact O-CD2 3.5Å
917	C	86.1	Confident	80.4	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.027	37%	0.371	C	S	.	.			trans	-93.1	117	165.5	-168.4	0	0	0	0	110	Q919 C920 G921 K922 F924 L930 H937	C917-Q919 VanDerWaalsContact C-N 3.26Å; C917-Q919 PolarHBondContact O-N 3.47Å; C917-C920 PolarHBondContact O-N 2.91Å; C917-G921 WeakPolarHBondContact O-CA 3.39Å; C917-G921 PolarHBondContact O-N 2.99Å; C917-K922 WeakPolarHBondContact CB-O 3.39Å; C917-K922 PolarHBondContact N-O 3.45Å; C917-F924 HydrophobicContact CB-CE2 4.45Å; C917-L930 HydrophobicContact CB-CD1 3.53Å; C917-H937 PolarHBondContact SG-CD2 3.42Å; C917-H937 PolarHBondContact SG-NE2 3.22Å
918	A	79.1	Confident	80.5	Confident	88 Å²	88	69.9 Å²	69.9	73%	0.727	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.2	-179.4	0	0	0	0	0	112.8	C920	A918-C920 VanDerWaalsContact C-N 3.33Å; A918-C920 PolarHBondContact O-N 3.03Å
919	Q	74.3	Confident	80.8	Confident	128 Å²	128	67.7 Å²	67.7	60%	0.598	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-12.5	-173.7	-70.2	163.8	-30.5	0	0	114.7	C917 H937	C917-Q919 VanDerWaalsContact C-N 3.26Å; C917-Q919 PolarHBondContact O-N 3.47Å; Q919-H937 HydrophobicContact CB-CB 4.37Å; Q919-H937 VanDerWaalsContact OE1-CB 3.27Å
920	C	81.7	Confident	81.1	Confident	47 Å²	47	64.8 Å²	64.8	32%	0.318	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.3	6.5	-175.5	71.6	0	0	0	0	115.4	C917 A918 K922 H933 H937	C917-C920 PolarHBondContact O-N 2.91Å; A918-C920 VanDerWaalsContact C-N 3.33Å; A918-C920 PolarHBondContact O-N 3.03Å; C920-K922 PolarHBondContact O-N 3.24Å; C920-K922 VanDerWaalsContact SG-CB 3.58Å; C920-H933 PolarHBondContact SG-NE2 3.45Å; C920-H937 VanDerWaalsContact CB-CE1 3.47Å; C920-H937 WeakPolarHBondContact CB-CE1 3.29Å; C920-H937 PolarHBondContact SG-CE1 3.25Å; C920-H937 PolarHBondContact SG-NE2 3.32Å
921	G	79.6	Confident	81.5	Confident	55 Å²	55	65 Å²	65	57%	0.567	37%	0.371	S	S	*	.			trans	68.2	-15.4	-176.7	0	0	0	0	0	116.4	C917 R923	C917-G921 WeakPolarHBondContact O-CA 3.39Å; C917-G921 PolarHBondContact O-N 2.99Å; G921-R923 VanDerWaalsContact O-CG 3.26Å; G921-R923 WeakPolarHBondContact O-CG 3.41Å; G921-R923 PolarHBondContact O-N 2.94Å
922	K	82.6	Confident	81.8	Confident	127 Å²	127	69.8 Å²	69.8	55%	0.552	38%	0.379	S	S	*	.			trans	-59.6	126.8	-175.7	-65.9	172.6	-177.8	168.6	0	110.6	C917 C920 F924	C917-K922 WeakPolarHBondContact CB-O 3.39Å; C917-K922 PolarHBondContact N-O 3.45Å; C920-K922 PolarHBondContact O-N 3.24Å; C920-K922 VanDerWaalsContact SG-CB 3.58Å; K922-F924 HydrophobicContact CB-CE2 3.93Å; K922-F924 HydrophobicContact CB-CZ 3.93Å; K922-F924 VanDerWaalsContact O-CE2 3.27Å; K922-F924 WeakPolarHBondContact O-CE2 3.38Å
923	R	81.6	Confident	82.1	Confident	148 Å²	148	67.3 Å²	67.3	56%	0.558	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.9	-175.4	-51.6	-171.8	63.9	121	3.6	111.8	K913 P914 G921	K913-R923 HydrophobicContact CB-CB 3.58Å; K913-R923 HydrophobicContact CD-CB 4.45Å; K913-R923 PolarHBondContact O-NE 3.19Å; K913-R923 PolarHBondContact O-NH2 3.41Å; K913-R923 VanDerWaalsContact O-NH2 3.11Å; P914-R923 PolarHBondContact O-NH2 3.43Å; G921-R923 VanDerWaalsContact O-CG 3.26Å; G921-R923 WeakPolarHBondContact O-CG 3.41Å; G921-R923 PolarHBondContact O-N 2.94Å
924	F	82.5	Confident	82.1	Confident	40 Å²	40	66.3 Å²	66.3	18%	0.175	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.9	-175.6	-56.5	-86.5	0	0	0	112.1	K913 Y915 C917 K922 V929 L930 H933	K913-F924 CarbonylContact C-O 3.58Å; K913-F924 VanDerWaalsContact C-O 3.31Å; K913-F924 VanDerWaalsContact CA-O 3.29Å; K913-F924 WeakPolarHBondContact CA-O 3.17Å; Y915-F924 WeakPolarHBondContact CD2-O 3.19Å; Y915-F924 PolarHBondContact N-O 2.73Å; Y915-F924 VanDerWaalsContact N-O 3.16Å; Y915-F924 PolarHBondContact O-N 3Å; C917-F924 HydrophobicContact CB-CE2 4.45Å; K922-F924 HydrophobicContact CB-CE2 3.93Å; K922-F924 HydrophobicContact CB-CZ 3.93Å; K922-F924 VanDerWaalsContact O-CE2 3.27Å; K922-F924 WeakPolarHBondContact O-CE2 3.38Å; F924-V929 HydrophobicContact CB-CB 4.45Å; F924-V929 HydrophobicContact CD1-CB 4.33Å; F924-V929 HydrophobicContact CD1-CG1 3.54Å; F924-V929 HydrophobicContact CE1-CG1 4.09Å; F924-V929 HydrophobicContact CG-CG1 4.22Å; F924-L930 HydrophobicContact CB-CB 4.47Å; F924-L930 HydrophobicContact CD2-CB 4.04Å; F924-L930 HydrophobicContact CD2-CD1 3.95Å; F924-L930 HydrophobicContact CE2-CD1 4.16Å; F924-L930 HydrophobicContact CG-CB 4.49Å; F924-H933 HydrophobicContact CE1-CB 4.4Å; F924-H933 HydrophobicContact CE2-CB 3.93Å; F924-H933 AromaticContact CE2-CD2 3.35Å; F924-H933 WeakPolarHBondContact CE2-CD2 3.22Å; F924-H933 AromaticContact CE2-CG 3.75Å; F924-H933 HydrophobicContact CZ-CB 3.73Å; F924-H933 AromaticContact CZ-CD2 3.34Å; F924-H933 WeakPolarHBondContact CZ-CD2 3.31Å; F924-H933 AromaticContact CZ-CG 3.41Å; F924-H933 VanDerWaalsContact CZ-CG 3.41Å; F924-H933 AromaticContact CZ-NE2 3.99Å
925	N	81.1	Confident	82.2	Confident	53 Å²	53	69.3 Å²	69.3	28%	0.283	37%	0.372	S	S	.	.	S	Bend	trans	-85.9	-12	179.4	58.3	1.4	0	0	0	113.9	Y915	Y915-N925 WeakPolarHBondContact CE2-O 3.18Å
926	K	82.2	Confident	82.2	Confident	76 Å²	76	70.4 Å²	70.4	33%	0.33	38%	0.381	S	S	.	.	S	Bend	trans	-136.8	135.9	177	-53.1	-171.2	-170.1	-159.4	0	111.4	E904 S928 V929 L930	E904-K926 VanDerWaalsContact OE2-CE 3.24Å; E904-K926 WeakPolarHBondContact OE2-CE 3.2Å; E904-K926 IonicContact OE2-NZ 3.9Å; E904-K926 PolarHBondContact OE2-NZ 2.89Å; K926-S928 VanDerWaalsContact C-N 3.31Å; K926-S928 PolarHBondContact O-N 3.18Å; K926-V929 HydrophobicContact CB-CG2 4.2Å; K926-V929 PolarHBondContact O-N 2.83Å; K926-V929 VanDerWaalsContact O-N 3.11Å; K926-L930 PolarHBondContact O-N 3.43Å
927	S	82.3	Confident	81.9	Confident	43 Å²	43	70.9 Å²	70.9	30%	0.301	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-37.5	-179.9	48.8	0	0	0	0	112.6	Y915 V929 L930 T931	Y915-S927 VanDerWaalsContact CD2-N 3.31Å; S927-V929 PolarHBondContact O-N 3.32Å; S927-L930 CarbonylContact O-C 3.47Å; S927-L930 WeakPolarHBondContact O-CA 3.5Å; S927-L930 WeakPolarHBondContact O-CB 3.37Å; S927-L930 PolarHBondContact O-N 3.11Å; S927-T931 PolarHBondContact O-N 2.81Å; S927-T931 PolarHBondContact O-OG1 3.38Å; S927-T931 VanDerWaalsContact O-OG1 3.11Å
928	S	84.1	Confident	81	Confident	74 Å²	74	76.2 Å²	76.2	52%	0.517	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-17.5	176.3	59.2	0	0	0	0	115.3	K926	K926-S928 VanDerWaalsContact C-N 3.31Å; K926-S928 PolarHBondContact O-N 3.18Å
929	V	84.4	Confident	80.2	Confident	63 Å²	63	81.8 Å²	81.8	38%	0.382	41%	0.412	S	S	.	.	H	α-helix	trans	-85.9	-38.1	170.2	-177.3	0	0	0	0	110.1	F924 K926 S927 T931 K932 H933	F924-V929 HydrophobicContact CB-CB 4.45Å; F924-V929 HydrophobicContact CD1-CB 4.33Å; F924-V929 HydrophobicContact CD1-CG1 3.54Å; F924-V929 HydrophobicContact CE1-CG1 4.09Å; F924-V929 HydrophobicContact CG-CG1 4.22Å; K926-V929 HydrophobicContact CB-CG2 4.2Å; K926-V929 PolarHBondContact O-N 2.83Å; K926-V929 VanDerWaalsContact O-N 3.11Å; S927-V929 PolarHBondContact O-N 3.32Å; V929-T931 PolarHBondContact O-N 2.81Å; V929-K932 PolarHBondContact O-N 2.96Å; V929-H933 WeakPolarHBondContact O-CB 3.38Å; V929-H933 PolarHBondContact O-N 3.26Å
930	L	86.3	Confident	79.4	Confident	13 Å²	13	82.1 Å²	82.1	7%	0.068	41%	0.414	C	S	.	.	H	α-helix	trans	-60.5	-41.7	171.3	172.8	63.3	0	0	0	111.8	G916 C917 F924 K926 S927 K932 H933 R934	G916-L930 VanDerWaalsContact O-CD2 3.27Å; G916-L930 WeakPolarHBondContact O-CD2 3.5Å; C917-L930 HydrophobicContact CB-CD1 3.53Å; F924-L930 HydrophobicContact CB-CB 4.47Å; F924-L930 HydrophobicContact CD2-CB 4.04Å; F924-L930 HydrophobicContact CD2-CD1 3.95Å; F924-L930 HydrophobicContact CE2-CD1 4.16Å; F924-L930 HydrophobicContact CG-CB 4.49Å; K926-L930 PolarHBondContact O-N 3.43Å; S927-L930 CarbonylContact O-C 3.47Å; S927-L930 WeakPolarHBondContact O-CA 3.5Å; S927-L930 WeakPolarHBondContact O-CB 3.37Å; S927-L930 PolarHBondContact O-N 3.11Å; L930-K932 PolarHBondContact O-N 2.99Å; L930-H933 CarbonylContact O-C 3.45Å; L930-H933 PolarHBondContact O-N 3.19Å; L930-H933 VanDerWaalsContact O-N 3.08Å; L930-R934 HydrophobicContact CD1-CG 4.09Å; L930-R934 HydrophobicContact CG-CG 4.4Å; L930-R934 WeakPolarHBondContact O-CG 3.45Å; L930-R934 PolarHBondContact O-N 3.43Å
931	T	83.6	Confident	77.7	Confident	79 Å²	79	88.6 Å²	88.6	49%	0.485	44%	0.436	S	S	.	.	H	α-helix	trans	-56.4	-52.9	176.5	-48.8	0	0	0	0	111	S927 V929 H933 R934 E935	S927-T931 PolarHBondContact O-N 2.81Å; S927-T931 PolarHBondContact O-OG1 3.38Å; S927-T931 VanDerWaalsContact O-OG1 3.11Å; V929-T931 PolarHBondContact O-N 2.81Å; T931-H933 PolarHBondContact O-N 3.43Å; T931-R934 WeakPolarHBondContact O-CB 3.44Å; T931-R934 PolarHBondContact O-N 2.93Å; T931-R934 VanDerWaalsContact O-N 3.08Å; T931-E935 PolarHBondContact O-N 3.18Å; T931-E935 VanDerWaalsContact O-N 3.09Å
932	K	84.4	Confident	76	Confident	147 Å²	147	91.5 Å²	91.5	64%	0.639	45%	0.445	S	S	*	.	H	α-helix	trans	-62.5	-22.1	176.2	-68.5	-178.8	177.8	-172.2	0	114	V929 L930	V929-K932 PolarHBondContact O-N 2.96Å; L930-K932 PolarHBondContact O-N 2.99Å
933	H	84.3	Confident	73.9	Confident	27 Å²	27	92.7 Å²	92.7	13%	0.125	46%	0.457	C	S	.	.	H	α-helix	trans	-83.9	-35.4	173.6	-173.9	52.1	0	0	0	112.8	C920 F924 V929 L930 T931 E935 V936 H937	C920-H933 PolarHBondContact SG-NE2 3.45Å; F924-H933 HydrophobicContact CE1-CB 4.4Å; F924-H933 HydrophobicContact CE2-CB 3.93Å; F924-H933 AromaticContact CE2-CD2 3.35Å; F924-H933 WeakPolarHBondContact CE2-CD2 3.22Å; F924-H933 AromaticContact CE2-CG 3.75Å; F924-H933 HydrophobicContact CZ-CB 3.73Å; F924-H933 AromaticContact CZ-CD2 3.34Å; F924-H933 WeakPolarHBondContact CZ-CD2 3.31Å; F924-H933 AromaticContact CZ-CG 3.41Å; F924-H933 VanDerWaalsContact CZ-CG 3.41Å; F924-H933 AromaticContact CZ-NE2 3.99Å; V929-H933 WeakPolarHBondContact O-CB 3.38Å; V929-H933 PolarHBondContact O-N 3.26Å; L930-H933 CarbonylContact O-C 3.45Å; L930-H933 PolarHBondContact O-N 3.19Å; L930-H933 VanDerWaalsContact O-N 3.08Å; T931-H933 PolarHBondContact O-N 3.43Å; H933-E935 PolarHBondContact O-N 3.06Å; H933-V936 WeakPolarHBondContact O-CB 3.24Å; H933-V936 PolarHBondContact O-N 3.49Å; H933-H937 AromaticContact CD2-NE2 3.51Å; H933-H937 AromaticContact CE1-CE1 3.79Å; H933-H937 AromaticContact CE1-NE2 3.43Å; H933-H937 PolarHBondContact CE1-NE2 3.27Å; H933-H937 AromaticContact NE2-CE1 3.59Å; H933-H937 AromaticContact NE2-NE2 2.95Å; H933-H937 PolarHBondContact NE2-NE2 3.14Å; H933-H937 PolarHBondContact O-CD2 3.03Å
934	R	80.5	Confident	71.9	Confident	97 Å²	97	91.3 Å²	91.3	37%	0.366	47%	0.467	S	S	.	.	H	α-helix	trans	-60.5	-35.6	170.2	-69.8	178.3	-179.7	-152.7	-2.6	110.9	L930 T931 V936 H937 V938	L930-R934 HydrophobicContact CD1-CG 4.09Å; L930-R934 HydrophobicContact CG-CG 4.4Å; L930-R934 WeakPolarHBondContact O-CG 3.45Å; L930-R934 PolarHBondContact O-N 3.43Å; T931-R934 WeakPolarHBondContact O-CB 3.44Å; T931-R934 PolarHBondContact O-N 2.93Å; T931-R934 VanDerWaalsContact O-N 3.08Å; R934-V936 PolarHBondContact O-N 3.25Å; R934-V936 VanDerWaalsContact O-N 3.11Å; R934-H937 PolarHBondContact O-N 3.14Å; R934-V938 WeakPolarHBondContact O-CG2 3.48Å; R934-V938 PolarHBondContact O-N 3.36Å
935	E	81.5	Confident	69.7	Low	96 Å²	96	98 Å²	98	45%	0.449	50%	0.498	S	S	.	.	H	α-helix	trans	-60.8	-12.3	171	-67.6	166.4	-136	0	0	114.8	T931 H933 R939	T931-E935 PolarHBondContact O-N 3.18Å; T931-E935 VanDerWaalsContact O-N 3.09Å; H933-E935 PolarHBondContact O-N 3.06Å; E935-R939 VanDerWaalsContact O-CD 3.3Å; E935-R939 WeakPolarHBondContact O-CD 3.4Å; E935-R939 WeakPolarHBondContact O-CG 3.4Å; E935-R939 PolarHBondContact O-NE 2.8Å
936	V	80.4	Confident	67.5	Low	53 Å²	53	100.8 Å²	100.8	32%	0.321	52%	0.52	S	S	.	.	H	α-helix	trans	-86.8	-48	174.8	-176.5	0	0	0	0	111	H933 R934 V938 R939 E940	H933-V936 WeakPolarHBondContact O-CB 3.24Å; H933-V936 PolarHBondContact O-N 3.49Å; R934-V936 PolarHBondContact O-N 3.25Å; R934-V936 VanDerWaalsContact O-N 3.11Å; V936-V938 PolarHBondContact O-N 3.45Å; V936-R939 WeakPolarHBondContact O-CA 3.21Å; V936-R939 WeakPolarHBondContact O-CB 3.31Å; V936-R939 PolarHBondContact O-N 2.93Å; V936-E940 HydrophobicContact CG1-CG 4.35Å; V936-E940 WeakPolarHBondContact CG1-OE1 3.47Å; V936-E940 PolarHBondContact O-N 2.59Å
937	H	76.6	Confident	65.6	Low	30 Å²	30	103.2 Å²	103.2	14%	0.139	54%	0.543	C	S	.	.	H	α-helix	trans	-60.7	-34.1	178.5	-59.3	-56.6	0	0	0	112.8	C917 Q919 C920 H933 R934 R939 E940	C917-H937 PolarHBondContact SG-CD2 3.42Å; C917-H937 PolarHBondContact SG-NE2 3.22Å; Q919-H937 HydrophobicContact CB-CB 4.37Å; Q919-H937 VanDerWaalsContact OE1-CB 3.27Å; C920-H937 VanDerWaalsContact CB-CE1 3.47Å; C920-H937 WeakPolarHBondContact CB-CE1 3.29Å; C920-H937 PolarHBondContact SG-CE1 3.25Å; C920-H937 PolarHBondContact SG-NE2 3.32Å; H933-H937 AromaticContact CD2-NE2 3.51Å; H933-H937 AromaticContact CE1-CE1 3.79Å; H933-H937 AromaticContact CE1-NE2 3.43Å; H933-H937 PolarHBondContact CE1-NE2 3.27Å; H933-H937 AromaticContact NE2-CE1 3.59Å; H933-H937 AromaticContact NE2-NE2 2.95Å; H933-H937 PolarHBondContact NE2-NE2 3.14Å; H933-H937 PolarHBondContact O-CD2 3.03Å; R934-H937 PolarHBondContact O-N 3.14Å; H937-R939 PolarHBondContact O-N 3.38Å; H937-E940 PolarHBondContact O-N 2.64Å
938	V	67.9	Low	63.1	Low	116 Å²	116	106.7 Å²	106.7	70%	0.703	57%	0.568	S	S	*	*	H	α-helix	trans	-65.1	-15.4	173.9	176.6	0	0	0	0	112.4	R934 V936	R934-V938 WeakPolarHBondContact O-CG2 3.48Å; R934-V938 PolarHBondContact O-N 3.36Å; V936-V938 PolarHBondContact O-N 3.45Å
939	R	63	Low	60.9	Low	206 Å²	206	109.8 Å²	109.8	78%	0.777	58%	0.578	S	S	*	*	H	α-helix	trans	-102.6	-16.2	175.9	-61.8	170.3	-176.2	-120.2	-1.2	114.3	E935 V936 H937	E935-R939 VanDerWaalsContact O-CD 3.3Å; E935-R939 WeakPolarHBondContact O-CD 3.4Å; E935-R939 WeakPolarHBondContact O-CG 3.4Å; E935-R939 PolarHBondContact O-NE 2.8Å; V936-R939 WeakPolarHBondContact O-CA 3.21Å; V936-R939 WeakPolarHBondContact O-CB 3.31Å; V936-R939 PolarHBondContact O-N 2.93Å; H937-R939 PolarHBondContact O-N 3.38Å
940	E	56.4	Low	58.4	Low	135 Å²	135	116.9 Å²	116.9	63%	0.631	60%	0.599	S	S	*	*	H	α-helix	trans	-97.7	-1.8	-174.7	-72.1	-179.9	173.4	0	0	113.5	V936 H937 P942	V936-E940 HydrophobicContact CG1-CG 4.35Å; V936-E940 WeakPolarHBondContact CG1-OE1 3.47Å; V936-E940 PolarHBondContact O-N 2.59Å; H937-E940 PolarHBondContact O-N 2.64Å; E940-P942 VanDerWaalsContact O-CD 3.3Å; E940-P942 WeakPolarHBondContact O-CD 3.34Å
941	K	46.2	Very low	55.8	Low	182 Å²	182	122.2 Å²	122.2	79%	0.791	64%	0.636	S	S	*	*			trans	-79.1	114.6	178.9	-147.9	-179.3	-171.7	-172.3	0	110.8
942	P	44.8	Very low	53.6	Low	117 Å²	117	124.3 Å²	124.3	76%	0.76	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-71.2	143.5	176.8	-14.5	30.7	0	0	0	110.9	E940	E940-P942 VanDerWaalsContact O-CD 3.3Å; E940-P942 WeakPolarHBondContact O-CD 3.34Å
943	L	38.3	Very low	51.2	Low	151 Å²	151	126.2 Å²	126.2	79%	0.791	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-81.2	137.1	168.3	-68.5	172.7	0	0	0	109.6	H945	L943-H945 PolarHBondContact O-N 3.33Å
944	P	38.9	Very low	48.7	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-71.8	123.6	170.6	29.7	-32.3	0	0	0	109.7
945	H	35.9	Very low	46.9	Very low	179 Å²	179	132.9 Å²	132.9	83%	0.829	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-76.7	129.7	170.3	-67.5	-82.7	0	0	0	110	L943	L943-H945 PolarHBondContact O-N 3.33Å
946	P	35.5	Very low	44.8	Very low	112 Å²	112	137 Å²	137	73%	0.727	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-69.8	151.5	163.9	31	-33.4	0	0	0	110.1	S948	P946-S948 PolarHBondContact O-N 3.06Å
947	P	42.2	Very low	42.8	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	76%	0.756	S	S	*	*			trans	-74.5	112.4	-174	29.1	-34.3	0	0	0	112
948	S	30.3	Very low	40.7	Very low	117 Å²	117	145.7 Å²	145.7	82%	0.818	78%	0.783	S	S	*	*			trans	-82.7	111.8	164.1	-166.7	0	0	0	0	109.2	P946	P946-S948 PolarHBondContact O-N 3.06Å
949	L	38	Very low	39.2	Very low	139 Å²	139	149.8 Å²	149.8	73%	0.728	79%	0.791	S	S	*	*			trans	-73.8	165.7	159.8	-72.3	171.5	0	0	0	110.1
950	Y	32.7	Very low	37.9	Very low	212 Å²	212	147.8 Å²	147.8	83%	0.831	79%	0.794	S	S	*	*			trans	62.6	85.4	177	-66	-80.9	0	0	0	117.2
951	C	29.7	Very low	36.9	Very low	124 Å²	124	148 Å²	148	84%	0.838	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-87.4	130.1	134.8	-63.9	0	0	0	0	108.6
952	P	38.2	Very low	36.7	Very low	123 Å²	123	147.7 Å²	147.7	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71.2	135.5	157.7	-11.3	27.8	0	0	0	109.2
953	E	35	Very low	36.2	Very low	188 Å²	188	151.2 Å²	151.2	88%	0.879	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73.6	146.8	171.9	-60.2	-175.7	124.6	0	0	111.2
954	N	31.8	Very low	36.1	Very low	160 Å²	160	156 Å²	156	86%	0.856	81%	0.813	S	S	*	*			trans	-152.3	121.3	144	-143	-19.1	0	0	0	110
955	P	42.7	Very low	36.3	Very low	103 Å²	103	160.3 Å²	160.3	67%	0.669	82%	0.819	S	S	*	*			trans	-101.3	117.6	-161.9	35.2	-32.1	0	0	0	113.8
956	H	36.7	Very low	36.4	Very low	183 Å²	183	157.3 Å²	157.3	85%	0.847	81%	0.814	S	S	*	*			trans	-144.1	131.8	163.5	-93.1	-12.9	0	0	0	115.1
957	K	38.2	Very low	36.2	Very low	196 Å²	196	165.5 Å²	165.5	85%	0.852	84%	0.838	S	S	*	*			trans	64.4	86.5	158.8	-61.1	177.5	-177.9	176.4	0	117.3
958	G	32.4	Very low	35.9	Very low	69 Å²	69	167.4 Å²	167.4	71%	0.711	84%	0.839	S	S	*	*			trans	-74	-175	138.9	0	0	0	0	0	112.2
959	K	36.8	Very low	36.2	Very low	202 Å²	202	170.1 Å²	170.1	88%	0.878	84%	0.84	S	S	*	*			trans	83.3	142	-166.8	-57.8	-173.4	169.8	-175.7	0	114.1
960	I	35.9	Very low	36.1	Very low	165 Å²	165	171.8 Å²	171.8	85%	0.846	85%	0.846	S	S	*	*			trans	67.9	78.1	-160.5	-42.9	165.7	0	0	0	110.7
961	D	35.2	Very low	36.3	Very low	140 Å²	140	169.4 Å²	169.4	75%	0.749	85%	0.847	S	S	*	*			cis	62.3	151.7	25.1	-141.4	-11.9	0	0	0	116.1	F963	D961-F963 PolarHBondContact O-N 3.37Å
962	E	42.7	Very low	36.7	Very low	175 Å²	175	172.3 Å²	172.3	82%	0.818	85%	0.848	S	S	*	*			trans	66	18	158.3	-142.7	171.6	-152	0	0	121.5
963	F	34	Very low	36.6	Very low	191 Å²	191	175.5 Å²	175.5	84%	0.838	85%	0.851	S	S	*	*	S	Bend	trans	-131.3	15.1	178.7	-105.3	-72.2	0	0	0	120.4	D961	D961-F963 PolarHBondContact O-N 3.37Å
964	R	34.8	Very low	36.7	Very low	251 Å²	251	174.6 Å²	174.6	95%	0.947	85%	0.849	S	S	*	*			trans	-137.3	46.8	170.4	-81.3	-164.6	172.2	159.9	0.9	115.5
965	K	44.1	Very low	37.1	Very low	210 Å²	210	175.8 Å²	175.8	91%	0.913	85%	0.848	S	S	*	*	S	Bend	trans	-100	0.3	164.7	-122.7	175.2	-176.2	175.8	0	114.4
966	T	37.8	Very low	36.6	Very low	117 Å²	117	181.8 Å²	181.8	72%	0.718	86%	0.863	S	S	*	*			trans	-148.4	95.6	178	48.9	0	0	0	0	111.9
967	F	30.8	Very low	36.6	Very low	283 Å²	283	181.7 Å²	181.7	100%	1.241	87%	0.865	S	S	*	*			trans	-167.2	0	144.6	-120.4	-69.4	0	0	0	112.5

Retrieved 967 of 967 residues in 205.4 ms (Link to these results)

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