A0A087XZG5_POEFO Loading...

Sulfatase 2

AlphaFold DB , UniProt , Accession A0A087XZG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 911 aa.

						>A0A087XZG5_POEFO|A0A087XZG5
MAAQLLLLFLSLFLLVSMATGDAQFPSGQRMKPRIQRDRRNIRPNIILILTDDQDVELGSMQAMNKTRRIMEEGGTFFSNAFVTTPMCCPSRSSMLTGKYVHNHNTYTNNENCSSLSWQRQHEPRTFGVYLNNTGYRTAFFGKYLNEYNGSYVPAGWREWLGLVKNSRFYNYTLSRNGVREKHGAQYPQDYLTDLITAESIRYFRSSKRIYPHRPVLMVLSHAAPHGPEDSAPQYSDAFANASQHITPSYNYAPNPDKHWIMRYTGPMKPIHMEFTNVLQRKRLQTLLSVDDSVEQVRPGAGPTKPGRWSRTGAGKTRPQRRVSDPFDSVSQLFNMLVETAELENTYIIYTSDHGYHIGQFGLVKGKSMPYEFDIRVPFYIRGPNVEQGSINPHMVLNIDLAPTILDIAGLDTPPDMDGKSILSLLDTDKPANRFQVSRKPKVWRDSFLVERGKLLHQQVEGKEVSQEENFLPKHQRVKDLCQRAEYQTPCQQTGQKWQCVEDASGKLRLFKCKNEGGGAKIFQRGVASLQRPISIKSQLYTPNPDACNCDFSDVLPANLRPSVVRSFNKKSFFSKKKFKTLKSFSRNRYSRSLSELHGYPGNQSLVGGAGQNEPEDEFSGMGGVTDAPAPSSAVRVTHRCSILSNASVKCDTRVYKSLQAWKDHKLHIDHEIETLQTKIKNLREVRGHLKKSRPLECDCNKYLYKAKLKKKLRFRGGGLHPFSRKGGAWNKKSWLLKEQKRRKKMRKMMKRIRNNDTCSMPGLTCFTHDNQHWHTAPFWTLGPFCACTSANNNTYWCLRTINETHNFLFCEFATGFLEYFDLSTDPYQLINAVSSLDRTVLNQLHVQLMELRGCKGHKQCNPRTRSVELAGGRAHGDFGDYRLFERRKWPKVKKPSSSRTLGPIWDGWKG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.4	Low	54	Low	225 Å²	225	119 Å²	119	100%	1.108	65%	0.65	S	S	*	*				0	70.5	0	-64.8	-61.7	-146.9	0	0	110.7
2	A	51.8	Low	53.8	Low	71 Å²	71	119 Å²	119	59%	0.587	65%	0.648	S	S	*	*			trans	-154.9	-53.1	177.8	0	0	0	0	0	112.4	Q4 L5	A2-Q4 VanDerWaalsContact C-N 3.26Å; A2-Q4 PolarHBondContact O-N 3.29Å; A2-L5 PolarHBondContact O-N 2.86Å; A2-L5 VanDerWaalsContact O-N 3.13Å
3	A	50.7	Low	53.3	Low	79 Å²	79	120.5 Å²	120.5	65%	0.653	65%	0.645	S	S	*	*	H	α-helix	trans	-59.1	-30	-178.3	0	0	0	0	0	114.7	L5 L6	A3-L5 VanDerWaalsContact C-N 3.34Å; A3-L5 PolarHBondContact O-N 3.02Å; A3-L6 PolarHBondContact O-N 2.83Å
4	Q	54.6	Low	52.6	Low	151 Å²	151	122.1 Å²	122.1	71%	0.706	65%	0.653	S	S	*	*	H	α-helix	trans	-74.5	-18.2	179.8	-75.6	167.3	-49.4	0	0	114.1	A2	A2-Q4 VanDerWaalsContact C-N 3.26Å; A2-Q4 PolarHBondContact O-N 3.29Å
5	L	51.4	Low	52.2	Low	112 Å²	112	124.2 Å²	124.2	59%	0.586	66%	0.663	S	S	*	*	H	α-helix	trans	-77	-31.1	171.2	-101.1	145.6	0	0	0	111.8	A2 A3 L7 F9	A2-L5 PolarHBondContact O-N 2.86Å; A2-L5 VanDerWaalsContact O-N 3.13Å; A3-L5 VanDerWaalsContact C-N 3.34Å; A3-L5 PolarHBondContact O-N 3.02Å; L5-L7 PolarHBondContact O-N 2.86Å; L5-F9 HydrophobicContact CD2-CD2 4.39Å; L5-F9 HydrophobicContact CD2-CE2 4.17Å; L5-F9 PolarHBondContact O-N 3.17Å
6	L	56.5	Low	52	Low	120 Å²	120	122.9 Å²	122.9	63%	0.628	66%	0.66	S	S	*	*	H	α-helix	trans	-63.8	-42.5	-178.8	-124.3	84.7	0	0	0	112.7	A3 F9 L10	A3-L6 PolarHBondContact O-N 2.83Å; L6-F9 PolarHBondContact O-N 3.12Å; L6-L10 PolarHBondContact O-N 2.65Å
7	L	54.6	Low	51.3	Low	126 Å²	126	120.3 Å²	120.3	66%	0.66	65%	0.654	S	S	*	*	H	α-helix	trans	-67.3	-36.4	-177.6	-79.1	163	0	0	0	112.8	L5 S11	L5-L7 PolarHBondContact O-N 2.86Å; L7-S11 PolarHBondContact O-N 3.4Å; L7-S11 VanDerWaalsContact O-N 3.11Å
8	L	56.1	Low	50.7	Low	124 Å²	124	123.6 Å²	123.6	65%	0.649	67%	0.666	S	S	*	*	H	α-helix	trans	-68.1	-43.1	175.2	-81.3	163.9	0	0	0	111.6	L10 S11 L12	L8-L10 PolarHBondContact O-N 3.08Å; L8-S11 PolarHBondContact O-N 3.41Å; L8-S11 PolarHBondContact O-OG 3.02Å; L8-L12 PolarHBondContact O-N 3.48Å
9	F	55	Low	50.5	Low	132 Å²	132	121.4 Å²	121.4	58%	0.579	67%	0.667	S	S	*	*	H	α-helix	trans	-62.6	-40.5	175.1	-95.2	-84.4	0	0	0	113.1	L5 L6 S11 L12 F13	L5-F9 HydrophobicContact CD2-CD2 4.39Å; L5-F9 HydrophobicContact CD2-CE2 4.17Å; L5-F9 PolarHBondContact O-N 3.17Å; L6-F9 PolarHBondContact O-N 3.12Å; F9-S11 PolarHBondContact O-N 3.44Å; F9-L12 PolarHBondContact O-N 3.4Å; F9-F13 PolarHBondContact O-N 3.49Å; F9-F13 VanDerWaalsContact O-N 3.16Å
10	L	54.2	Low	50.2	Low	104 Å²	104	122.6 Å²	122.6	55%	0.545	68%	0.678	S	S	.	*	H	α-helix	trans	-63.4	-38.9	175.7	-82	162.8	0	0	0	112.6	L6 L8 L12 L14	L6-L10 PolarHBondContact O-N 2.65Å; L8-L10 PolarHBondContact O-N 3.08Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.25Å; L10-L14 PolarHBondContact O-N 3.49Å
11	S	52	Low	49.2	Very low	65 Å²	65	120.2 Å²	120.2	46%	0.455	68%	0.682	S	S	.	*	H	α-helix	trans	-66.3	-31.6	177.5	74.8	0	0	0	0	113.3	L7 L8 F9	L7-S11 PolarHBondContact O-N 3.4Å; L7-S11 VanDerWaalsContact O-N 3.11Å; L8-S11 PolarHBondContact O-N 3.41Å; L8-S11 PolarHBondContact O-OG 3.02Å; F9-S11 PolarHBondContact O-N 3.44Å
12	L	50.7	Low	47.9	Very low	119 Å²	119	117.5 Å²	117.5	62%	0.623	67%	0.672	S	S	*	*	H	α-helix	trans	-80.3	-35.4	-179.4	-156.9	70.8	0	0	0	112.4	L8 F9 L10 L15	L8-L12 PolarHBondContact O-N 3.48Å; F9-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact C-N 3.31Å; L10-L12 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 3.33Å
13	F	48	Very low	46.9	Very low	139 Å²	139	118.7 Å²	118.7	61%	0.61	68%	0.682	S	S	*	*	H	α-helix	trans	-67.3	-38.8	178.1	-110.7	-90.3	0	0	0	112.9	F9 L15 V16 S17	F9-F13 PolarHBondContact O-N 3.49Å; F9-F13 VanDerWaalsContact O-N 3.16Å; F13-L15 PolarHBondContact O-N 3.47Å; F13-V16 PolarHBondContact O-N 3.17Å; F13-S17 PolarHBondContact O-N 3.13Å
14	L	43.7	Very low	45.9	Very low	143 Å²	143	123.9 Å²	123.9	75%	0.749	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-16.6	-180	-101.2	160.5	0	0	0	114.3	L10	L10-L14 PolarHBondContact O-N 3.49Å
15	L	47	Very low	44.7	Very low	153 Å²	153	125.9 Å²	125.9	80%	0.801	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-5.1	173.8	-80.3	165.7	0	0	0	114.2	L12 F13	L12-L15 PolarHBondContact O-N 3.33Å; F13-L15 PolarHBondContact O-N 3.47Å
16	V	48.2	Very low	43.5	Very low	103 Å²	103	126.5 Å²	126.5	62%	0.624	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-29.2	-178.2	-179.6	0	0	0	0	112.5	F13 M18	F13-V16 PolarHBondContact O-N 3.17Å; V16-M18 VanDerWaalsContact C-N 3.32Å; V16-M18 PolarHBondContact O-N 3.18Å
17	S	40.1	Very low	42.4	Very low	79 Å²	79	126.2 Å²	126.2	55%	0.552	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	15.3	-174.7	-66.3	0	0	0	0	116.9	F13	F13-S17 PolarHBondContact O-N 3.13Å
18	M	40.6	Very low	41.7	Very low	179 Å²	179	123.7 Å²	123.7	88%	0.882	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	9.5	171.9	-86.9	-82.7	98.7	0	0	113.9	V16	V16-M18 VanDerWaalsContact C-N 3.32Å; V16-M18 PolarHBondContact O-N 3.18Å
19	A	47.6	Very low	40.4	Very low	83 Å²	83	127.1 Å²	127.1	69%	0.686	74%	0.735	S	S	*	*	S	Bend	trans	-138.3	31.1	-167.5	0	0	0	0	0	116.8
20	T	43.4	Very low	39.2	Very low	144 Å²	144	131.8 Å²	131.8	88%	0.883	75%	0.749	S	S	*	*			trans	-155.2	133.8	159.5	17.9	0	0	0	0	111.8
21	G	29.5	Very low	38.1	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	77%	0.767	S	S	*	*			trans	176.2	127.1	176.4	0	0	0	0	0	110.1
22	D	29.5	Very low	37	Very low	169 Å²	169	141.4 Å²	141.4	90%	0.904	78%	0.783	S	S	*	*			trans	-76.1	144	-157.9	-69.6	-81.4	0	0	0	116.8
23	A	30.9	Very low	35.9	Very low	96 Å²	96	140.8 Å²	140.8	79%	0.793	79%	0.786	S	S	*	*			trans	-136.8	130.2	150.4	0	0	0	0	0	108.2
24	Q	30.1	Very low	35.2	Very low	188 Å²	188	145.6 Å²	145.6	88%	0.879	80%	0.801	S	S	*	*			trans	-74.1	149.1	-163.5	-71.4	152.9	-36.1	0	0	114.2
25	F	29.4	Very low	34.9	Very low	193 Å²	193	145.9 Å²	145.9	85%	0.846	80%	0.801	S	S	*	*			trans	-60.2	147	-179.4	-76.3	-98.3	0	0	0	113.3
26	P	27.6	Very low	34.3	Very low	124 Å²	124	147 Å²	147	81%	0.805	80%	0.802	S	S	*	*				-113.6	156.4	110.7	32.8	-35.1	0	0	0	112.7
27	S	31.8	Very low	33.7	Very low	114 Å²	114	151.5 Å²	151.5	80%	0.797	81%	0.808	S	S	*	*			trans	-77.3	147.9	-166.9	55.3	0	0	0	0	115.3
28	G	39.6	Very low	33.3	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	82%	0.818	S	S	*	*			trans	99.5	19.8	134.9	0	0	0	0	0	120.1	R30	G28-R30 VanDerWaalsContact C-N 3.35Å; G28-R30 PolarHBondContact O-N 3.45Å
29	Q	28.6	Very low	33.4	Very low	195 Å²	195	155 Å²	155	91%	0.911	81%	0.81	S	S	*	*			trans	-81.3	80.4	167.4	-68	-152.5	15.9	0	0	112.5	M31	Q29-M31 PolarHBondContact O-N 3.22Å
30	R	30.7	Very low	33.2	Very low	231 Å²	231	161 Å²	161	87%	0.872	82%	0.815	S	S	*	*			trans	-57.5	106.6	166.3	-174.7	178.4	-173.9	175.3	3.7	109.1	G28 K32	G28-R30 VanDerWaalsContact C-N 3.35Å; G28-R30 PolarHBondContact O-N 3.45Å; R30-K32 PolarHBondContact O-N 3.32Å
31	M	30.9	Very low	33.4	Very low	187 Å²	187	161.4 Å²	161.4	92%	0.921	81%	0.812	S	S	*	*			trans	-56.4	93.4	178.8	-78.9	-93.4	-97.6	0	0	110.9	Q29	Q29-M31 PolarHBondContact O-N 3.22Å
32	K	30.1	Very low	35.3	Very low	183 Å²	183	162.3 Å²	162.3	80%	0.796	80%	0.799	S	S	*	*			trans	-67.4	141.4	173.1	-70.4	-176.1	178	-178.7	0	108.9	R30 R34	R30-K32 PolarHBondContact O-N 3.32Å; K32-R34 PolarHBondContact O-N 3.3Å
33	P	27.7	Very low	38.1	Very low	106 Å²	106	159 Å²	159	69%	0.688	77%	0.773	S	S	*	*			trans	-58.5	136.7	178.7	25.7	-34.8	0	0	0	110.2	I35	P33-I35 HydrophobicContact CB-CD1 4.04Å; P33-I35 HydrophobicContact CB-CG1 4.15Å; P33-I35 PolarHBondContact O-N 2.76Å
34	R	32.8	Very low	41.2	Very low	241 Å²	241	155.2 Å²	155.2	91%	0.909	74%	0.741	S	S	*	*	S	Bend	trans	-75.5	35	-170.1	-163.8	172.4	169.6	168.2	-4.3	113.6	K32 Q36	K32-R34 PolarHBondContact O-N 3.3Å; R34-Q36 PolarHBondContact O-N 3.11Å
35	I	37.1	Very low	44.4	Very low	149 Å²	149	146.3 Å²	146.3	76%	0.764	70%	0.699	S	S	*	*			trans	-97.4	56	-171.5	-48.2	172.3	0	0	0	110.2	P33	P33-I35 HydrophobicContact CB-CD1 4.04Å; P33-I35 HydrophobicContact CB-CG1 4.15Å; P33-I35 PolarHBondContact O-N 2.76Å
36	Q	34	Very low	47.6	Very low	175 Å²	175	137.1 Å²	137.1	82%	0.818	66%	0.659	S	S	*	*	S	Bend	trans	-160.2	41.1	174.5	-125.5	176.9	27.1	0	0	116.1	R34	R34-Q36 PolarHBondContact O-N 3.11Å
37	R	35	Very low	51	Low	199 Å²	199	131.3 Å²	131.3	75%	0.751	62%	0.621	S	S	*	*	S	Bend	trans	-121.7	-32	166.1	-76.3	-166.3	176.6	-168.9	0.5	115.6	R39 R40	R37-R39 PolarHBondContact O-N 3.49Å; R37-R40 PolarHBondContact O-N 3.27Å
38	D	32.4	Very low	54.1	Low	143 Å²	143	126 Å²	126	77%	0.765	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-71.3	-24.6	-177.3	-61.7	-63.2	0	0	0	115.4	R40 N41	D38-R40 PolarHBondContact O-N 3.45Å; D38-N41 PolarHBondContact O-N 2.83Å
39	R	42.7	Very low	56.9	Low	188 Å²	188	122.7 Å²	122.7	71%	0.709	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-61.2	-5.1	176.3	-93.4	-168	176	-161	-0.4	114.2	R37 E344	R37-R39 PolarHBondContact O-N 3.49Å; R39-E344 IonicContact CZ-OE2 2.73Å; R39-E344 IonicContact NH1-OE2 3.8Å; R39-E344 PolarHBondContact NH1-OE2 3.11Å; R39-E344 IonicContact NH2-OE2 2.83Å
40	R	43.6	Very low	60.2	Low	208 Å²	208	113.9 Å²	113.9	79%	0.785	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-79.3	-13.7	-179.9	-67.9	-171.9	179	-166.7	-0.6	115.5	R37 D38	R37-R40 PolarHBondContact O-N 3.27Å; D38-R40 PolarHBondContact O-N 3.45Å
41	N	47.3	Very low	63.4	Low	154 Å²	154	102.9 Å²	102.9	82%	0.824	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-96.5	0.9	-177.6	-76	-8.8	0	0	0	114.4	D38	D38-N41 PolarHBondContact O-N 2.83Å
42	I	70.4	Confident	66.5	Low	92 Å²	92	94 Å²	94	47%	0.472	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-94.3	116.1	175.9	-58.6	177.5	0	0	0	108.2
43	R	88.4	Confident	69.6	Low	98 Å²	98	85.4 Å²	85.4	37%	0.37	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-68.7	139.7	169.6	-72.5	-175.6	175.2	139.3	-3.2	109.8	T134 P215 A409	R43-T134 PolarHBondContact NH1-O 3.27Å; R43-P215 HydrophobicContact CB-CB 4.33Å; R43-P215 HydrophobicContact CB-CG 4.09Å; R43-A409 WeakPolarHBondContact CD-O 3.46Å; R43-A409 PolarHBondContact NE-O 2.9Å
44	P	94.8	Very high	72.9	Confident	18 Å²	18	80.3 Å²	80.3	12%	0.117	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-75.8	158.6	-178.8	32.9	-37.2	0	0	0	112.1	Y136 P215 N345 Y347 P384 I408	P44-Y136 WeakPolarHBondContact O-CE1 3.39Å; P44-Y136 PolarHBondContact O-OH 2.85Å; P44-P215 WeakPolarHBondContact O-CB 3.48Å; P44-N345 CarbonylContact C-O 3.47Å; P44-N345 VanDerWaalsContact CA-O 3.27Å; P44-N345 WeakPolarHBondContact CA-O 3.32Å; P44-N345 VanDerWaalsContact CB-O 3.3Å; P44-N345 WeakPolarHBondContact CB-O 3.46Å; P44-Y347 HydrophobicContact CB-CD2 3.95Å; P44-Y347 HydrophobicContact CB-CE2 4.15Å; P44-Y347 HydrophobicContact CG-CD2 3.87Å; P44-Y347 HydrophobicContact CG-CE2 3.82Å; P44-P384 HydrophobicContact CB-CG 4.31Å; P44-I408 HydrophobicContact CG-CG2 3.61Å
45	N	97	Very high	75.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	158.2	164.9	-41	-63.6	0	0	0	110.2	F204 K208 P215 V216 E342 N345 T346 Y347	N45-F204 HydrophobicContact CB-CE2 4.36Å; N45-K208 WeakPolarHBondContact OD1-CE 3.43Å; N45-K208 PolarHBondContact OD1-NZ 3.42Å; N45-P215 WeakPolarHBondContact OD1-CA 3.32Å; N45-V216 CarbonylContact C-O 3.48Å; N45-V216 VanDerWaalsContact CA-O 3.26Å; N45-V216 WeakPolarHBondContact CA-O 3.4Å; N45-V216 HydrophobicContact CB-CB 4.43Å; N45-V216 PolarHBondContact OD1-N 2.84Å; N45-V216 VanDerWaalsContact OD1-N 3.08Å; N45-E342 PolarHBondContact ND2-OE2 3.25Å; N45-N345 PolarHBondContact N-O 2.91Å; N45-T346 HydrophobicContact CB-CG2 4.06Å; N45-T346 PolarHBondContact ND2-OG1 3.33Å; N45-T346 WeakPolarHBondContact O-CA 3.4Å; N45-Y347 PolarHBondContact O-N 3Å
46	I	97.9	Very high	78.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122	179	-50	179.7	0	0	0	108.4	L131 Y136 V216 L217 M218 Y347 I405 I408	I46-L131 HydrophobicContact CD1-CD2 3.79Å; I46-Y136 HydrophobicContact CD1-CE1 4.37Å; I46-Y136 HydrophobicContact CG1-CE1 4.35Å; I46-V216 PolarHBondContact N-O 2.92Å; I46-L217 HydrophobicContact CB-CD1 3.87Å; I46-L217 HydrophobicContact CG2-CD1 3.97Å; I46-L217 CarbonylContact O-C 3.53Å; I46-L217 WeakPolarHBondContact O-CA 3.36Å; I46-M218 PolarHBondContact O-N 3.44Å; I46-Y347 CarbonylContact C-O 3.1Å; I46-Y347 WeakPolarHBondContact CA-O 3.42Å; I46-I405 HydrophobicContact CD1-CG2 3.96Å; I46-I405 HydrophobicContact CG2-CG1 4.34Å; I46-I408 HydrophobicContact CD1-CB 3.88Å; I46-I408 HydrophobicContact CD1-CG2 3.49Å; I46-I408 VanDerWaalsContact CD1-CG2 3.49Å; I46-I408 HydrophobicContact CG1-CG2 3.66Å
47	I	97.9	Very high	81.2	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.2	172.3	-56.5	-176	0	0	0	108.2	I49 F204 M218 L220 L337 T346 Y347 I348 I349	I47-I49 HydrophobicContact CG2-CG1 4.06Å; I47-F204 HydrophobicContact CD1-CE2 4.39Å; I47-M218 CarbonylContact C-O 3.51Å; I47-M218 WeakPolarHBondContact CA-O 3.2Å; I47-M218 HydrophobicContact CD1-CE 4Å; I47-M218 HydrophobicContact CG1-CB 4.33Å; I47-M218 HydrophobicContact CG1-CE 4.42Å; I47-L220 HydrophobicContact CG2-CD1 3.72Å; I47-L337 HydrophobicContact CD1-CD1 4.02Å; I47-L337 HydrophobicContact CD1-CD2 4.25Å; I47-L337 HydrophobicContact CD1-CG 4.5Å; I47-T346 HydrophobicContact CD1-CG2 3.98Å; I47-T346 HydrophobicContact CG1-CG2 3.93Å; I47-Y347 PolarHBondContact N-O 2.85Å; I47-I348 CarbonylContact O-C 3.36Å; I47-I348 WeakPolarHBondContact O-CA 3.4Å; I47-I349 PolarHBondContact O-N 3.06Å
48	L	98.3	Very high	83.9	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.6	171.9	176	62.7	0	0	0	108.8	F127 M218 V219 L220 I349 T351 L401 I405	L48-F127 HydrophobicContact CD2-CZ 4.1Å; L48-M218 PolarHBondContact N-O 2.89Å; L48-V219 HydrophobicContact CB-CG1 4.4Å; L48-V219 HydrophobicContact CB-CG2 4.3Å; L48-V219 HydrophobicContact CD2-CG1 4.19Å; L48-V219 HydrophobicContact CD2-CG2 4.44Å; L48-V219 HydrophobicContact CG-CG1 4.35Å; L48-V219 WeakPolarHBondContact O-CA 3.34Å; L48-L220 PolarHBondContact O-N 2.88Å; L48-I349 HydrophobicContact CD1-CB 3.92Å; L48-I349 HydrophobicContact CD1-CG2 3.81Å; L48-T351 HydrophobicContact CD1-CG2 4.35Å; L48-L401 HydrophobicContact CD1-CD2 4.32Å; L48-I405 HydrophobicContact CD2-CD1 4.38Å
49	I	98.1	Very high	86.6	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.6	171.5	-52.2	-176.9	0	0	0	107.4	I47 V294 L333 I348 I349 Y350 T351	I47-I49 HydrophobicContact CG2-CG1 4.06Å; I49-V294 HydrophobicContact CD1-CG2 3.84Å; I49-L333 HydrophobicContact CD1-CD1 4.03Å; I49-I348 HydrophobicContact CD1-CG2 4.04Å; I49-I348 HydrophobicContact CG1-CG2 4.36Å; I49-I349 PolarHBondContact N-O 2.82Å; I49-Y350 HydrophobicContact CB-CD2 3.94Å; I49-Y350 HydrophobicContact CG2-CD2 3.69Å; I49-Y350 HydrophobicContact CG2-CE2 3.97Å; I49-Y350 WeakPolarHBondContact O-CA 3.46Å; I49-T351 PolarHBondContact O-N 2.95Å; I49-T351 VanDerWaalsContact O-N 3.09Å
50	L	97.4	Very high	89	Confident	10 Å²	10	32.6 Å²	32.6	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	121	-172.6	177.4	53.3	0	0	0	110.4	M95 L220 S221 H222 T351 S352 D353	L50-M95 HydrophobicContact CD1-CE 3.64Å; L50-M95 HydrophobicContact CD1-SD 4.46Å; L50-M95 HydrophobicContact CD2-CE 3.8Å; L50-M95 HydrophobicContact CD2-SD 4.28Å; L50-M95 HydrophobicContact CG-CE 4.36Å; L50-L220 PolarHBondContact N-O 3.33Å; L50-S221 CarbonylContact O-C 3.53Å; L50-S221 VanDerWaalsContact O-CA 3.32Å; L50-S221 WeakPolarHBondContact O-CA 3.45Å; L50-H222 PolarHBondContact O-N 3.49Å; L50-T351 WeakPolarHBondContact CA-O 3.3Å; L50-T351 HydrophobicContact CD1-CG2 4.33Å; L50-S352 VanDerWaalsContact CD1-C 3.46Å; L50-D353 HydrophobicContact CD1-CB 4.22Å
51	T	97.6	Very high	91.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-177.1	170.3	54.1	0	0	0	0	111.6	Q54 R92 A224 V290 Y350 T351 S352	T51-Q54 VanDerWaalsContact CG2-OE1 3.27Å; T51-Q54 VanDerWaalsContact OG1-CB 3.29Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.43Å; T51-Q54 PolarHBondContact OG1-OE1 3.23Å; T51-R92 PolarHBondContact O-NH2 2.97Å; T51-A224 VanDerWaalsContact CB-O 3.31Å; T51-A224 WeakPolarHBondContact CB-O 3.18Å; T51-V290 HydrophobicContact CG2-CG1 4.39Å; T51-Y350 HydrophobicContact CG2-CE2 4.38Å; T51-Y350 WeakPolarHBondContact CG2-OH 3.37Å; T51-T351 PolarHBondContact N-O 2.58Å; T51-T351 VanDerWaalsContact N-O 3.07Å; T51-T351 PolarHBondContact OG1-O 3.4Å; T51-S352 WeakPolarHBondContact OG1-CA 3.21Å; T51-S352 WeakPolarHBondContact OG1-CB 3.45Å; T51-S352 PolarHBondContact OG1-OG 3.09Å
52	D	96.5	Very high	93.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-141.5	113.3	-175.2	-164.2	47	0	0	0	110.2	R92 K143 S167 A224 P225 H226 D353	D52-R92 IonicContact OD1-CZ 3.27Å; D52-R92 IonicContact OD1-NE 2.9Å; D52-R92 PolarHBondContact OD1-NE 2.98Å; D52-R92 IonicContact OD1-NH2 3.75Å; D52-R92 PolarHBondContact OD1-NH2 3.12Å; D52-K143 HydrophobicContact CB-CD 4.49Å; D52-K143 WeakPolarHBondContact OD1-CD 3.33Å; D52-K143 WeakPolarHBondContact OD1-CE 3.38Å; D52-K143 IonicContact OD1-NZ 3.36Å; D52-K143 PolarHBondContact OD1-NZ 2.87Å; D52-K143 VanDerWaalsContact OD2-CD 3.27Å; D52-K143 WeakPolarHBondContact OD2-CD 3.48Å; D52-K143 IonicContact OD2-NZ 3.44Å; D52-K143 PolarHBondContact OD2-NZ 3.08Å; D52-S167 WeakPolarHBondContact OD2-CB 3.23Å; D52-S167 PolarHBondContact OD2-OG 2.77Å; D52-A224 PolarHBondContact N-O 2.95Å; D52-A224 CarbonylContact O-C 3.4Å; D52-P225 CarbonylContact O-C 3.51Å; D52-P225 WeakPolarHBondContact O-CD 3.21Å; D52-H226 HydrophobicContact CB-CB 4.03Å; D52-H226 WeakPolarHBondContact O-CB 3.39Å; D52-H226 PolarHBondContact O-N 2.79Å; D52-H226 WeakPolarHBondContact OD2-CB 3.34Å; D52-H226 IonicContact OD2-CD2 2.85Å; D52-H226 PolarHBondContact OD2-CD2 2.83Å; D52-H226 IonicContact OD2-CG 3.95Å; D52-D353 WeakPolarHBondContact CA-OD1 3.17Å; D52-D353 VanDerWaalsContact OD1-OD2 3.14Å
53	D	95.5	Very high	94.5	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	8%	0.08	C	C	.	.	S	Bend	trans	66.4	35.3	-170.8	-58.1	16.9	0	0	0	115.2	P225 H226 R283 D353 H354 Y356 K367	D53-P225 WeakPolarHBondContact O-CG 3.38Å; D53-H226 HydrophobicContact CB-CB 4.2Å; D53-H226 VanDerWaalsContact CG-CD2 3.41Å; D53-H226 IonicContact OD1-CD2 3.48Å; D53-H226 PolarHBondContact OD1-CD2 2.7Å; D53-H226 IonicContact OD1-CG 3.54Å; D53-H226 IonicContact OD1-NE2 3.51Å; D53-H226 IonicContact OD2-CD2 2.7Å; D53-H226 PolarHBondContact OD2-CD2 3.35Å; D53-H226 IonicContact OD2-CG 2.65Å; D53-H226 IonicContact OD2-NE2 2.77Å; D53-R283 PolarHBondContact O-NH1 3.43Å; D53-R283 PolarHBondContact O-NH2 2.95Å; D53-D353 PolarHBondContact N-OD1 3.24Å; D53-D353 VanDerWaalsContact N-OD1 3.12Å; D53-H354 CarbonylContact C-O 3.53Å; D53-H354 IonicContact OD1-CE1 3.48Å; D53-H354 PolarHBondContact OD1-CE1 3.24Å; D53-H354 IonicContact OD1-NE2 2.72Å; D53-Y356 HydrophobicContact CB-CD2 3.63Å; D53-Y356 HydrophobicContact CB-CE2 4.16Å; D53-Y356 HydrophobicContact CB-CG 4.31Å; D53-Y356 WeakPolarHBondContact OD2-CD2 3.21Å; D53-Y356 WeakPolarHBondContact OD2-CE2 3.43Å; D53-K367 IonicContact OD1-NZ 3.47Å; D53-K367 PolarHBondContact OD1-NZ 2.7Å; D53-K367 IonicContact OD2-NZ 2.7Å; D53-K367 PolarHBondContact OD2-NZ 2.59Å
54	Q	96.4	Very high	94.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.			trans	-95.9	120.4	179.9	-164.7	-171	15.7	0	0	112.7	T51 M64 P225 L287 Y350 S352 H354	T51-Q54 VanDerWaalsContact CG2-OE1 3.27Å; T51-Q54 VanDerWaalsContact OG1-CB 3.29Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.43Å; T51-Q54 PolarHBondContact OG1-OE1 3.23Å; Q54-M64 PolarHBondContact NE2-SD 3.26Å; Q54-M64 VanDerWaalsContact NE2-SD 3.42Å; Q54-P225 HydrophobicContact CB-CG 4.15Å; Q54-P225 HydrophobicContact CG-CG 4.35Å; Q54-L287 HydrophobicContact CG-CD1 4.37Å; Q54-L287 HydrophobicContact CG-CD2 4.37Å; Q54-Y350 PolarHBondContact NE2-OH 3.39Å; Q54-Y350 PolarHBondContact OE1-OH 2.76Å; Q54-Y350 VanDerWaalsContact OE1-OH 3.04Å; Q54-S352 VanDerWaalsContact CB-OG 3.24Å; Q54-S352 WeakPolarHBondContact CB-OG 3.45Å; Q54-S352 PolarHBondContact N-OG 2.89Å; Q54-S352 VanDerWaalsContact N-OG 3.11Å; Q54-H354 PolarHBondContact N-O 3.09Å
55	D	94.4	Very high	94.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.			trans	-79.8	172.9	176.7	60.1	-88.9	0	0	0	114	L58 S60 R283	D55-L58 HydrophobicContact CB-CB 4.48Å; D55-L58 HydrophobicContact CB-CD1 4.29Å; D55-L58 HydrophobicContact CB-CG 4.05Å; D55-L58 WeakPolarHBondContact OD2-CA 3.47Å; D55-L58 VanDerWaalsContact OD2-CB 3.26Å; D55-L58 WeakPolarHBondContact OD2-CB 3.46Å; D55-L58 PolarHBondContact OD2-N 2.75Å; D55-S60 VanDerWaalsContact CG-OG 3.23Å; D55-S60 PolarHBondContact OD1-OG 3.09Å; D55-S60 WeakPolarHBondContact OD2-CB 3.45Å; D55-S60 PolarHBondContact OD2-N 3.2Å; D55-S60 PolarHBondContact OD2-OG 3.44Å; D55-R283 IonicContact OD1-CZ 3.67Å; D55-R283 IonicContact OD1-NH2 3.58Å; D55-R283 PolarHBondContact OD1-NH2 2.9Å
56	V	93.1	Very high	94.1	Very high	43 Å²	43	18.5 Å²	18.5	26%	0.261	9%	0.094	S	C	.	.	S	Bend	trans	-108.3	-36.6	161.8	-178.6	0	0	0	0	111.3	R376	V56-R376 HydrophobicContact CG2-CG 4.3Å
57	E	90.9	Very high	93.8	Very high	45 Å²	45	18.5 Å²	18.5	21%	0.21	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-35.3	-170.2	-169.3	-177.3	140.2	0	0	113.7	G59 T247 F373	E57-G59 VanDerWaalsContact C-N 3.26Å; E57-G59 PolarHBondContact O-N 3.05Å; E57-T247 HydrophobicContact CG-CG2 4Å; E57-T247 WeakPolarHBondContact OE1-CB 3.42Å; E57-T247 WeakPolarHBondContact OE1-CG2 3.4Å; E57-T247 PolarHBondContact OE1-OG1 3.16Å; E57-F373 HydrophobicContact CB-CB 4.43Å; E57-F373 WeakPolarHBondContact OE2-CB 3.33Å
58	L	91.6	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	2.6	-170.1	-42.4	178.8	0	0	0	113.1	D55 Q244 H245 Q280 I358	D55-L58 HydrophobicContact CB-CB 4.48Å; D55-L58 HydrophobicContact CB-CD1 4.29Å; D55-L58 HydrophobicContact CB-CG 4.05Å; D55-L58 WeakPolarHBondContact OD2-CA 3.47Å; D55-L58 VanDerWaalsContact OD2-CB 3.26Å; D55-L58 WeakPolarHBondContact OD2-CB 3.46Å; D55-L58 PolarHBondContact OD2-N 2.75Å; L58-Q244 WeakPolarHBondContact O-CB 3.39Å; L58-H245 HydrophobicContact CB-CB 4.1Å; L58-H245 HydrophobicContact CD2-CB 4.17Å; L58-Q280 PolarHBondContact O-NE2 2.96Å; L58-I358 HydrophobicContact CD1-CB 4.15Å; L58-I358 HydrophobicContact CD1-CD1 3.69Å; L58-I358 HydrophobicContact CD1-CG1 3.7Å
59	G	89.3	Confident	93.2	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	13%	0.131	C	C	.	.	S	Bend	trans	95.3	12.9	178.9	0	0	0	0	0	115.6	E57 M61 Q62 A63	E57-G59 VanDerWaalsContact C-N 3.26Å; E57-G59 PolarHBondContact O-N 3.05Å; G59-M61 VanDerWaalsContact C-N 3.34Å; G59-M61 PolarHBondContact O-N 3Å; G59-Q62 VanDerWaalsContact CA-OE1 3.25Å; G59-Q62 WeakPolarHBondContact O-CB 3.49Å; G59-Q62 PolarHBondContact O-N 2.93Å; G59-Q62 VanDerWaalsContact O-N 3.09Å; G59-Q62 PolarHBondContact O-OE1 2.91Å; G59-A63 PolarHBondContact O-N 2.75Å
60	S	93.8	Very high	92.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-35.2	-174.8	-83.7	0	0	0	0	115	D55 L287	D55-S60 VanDerWaalsContact CG-OG 3.23Å; D55-S60 PolarHBondContact OD1-OG 3.09Å; D55-S60 WeakPolarHBondContact OD2-CB 3.45Å; D55-S60 PolarHBondContact OD2-N 3.2Å; D55-S60 PolarHBondContact OD2-OG 3.44Å; S60-L287 WeakPolarHBondContact O-CD1 3.46Å
61	M	93	Very high	92.5	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-78.4	-21.5	176.9	-73.7	-54.8	-48.5	0	0	113.5	G59 A63 M64 R68 Y350 P378 Y380	G59-M61 VanDerWaalsContact C-N 3.34Å; G59-M61 PolarHBondContact O-N 3Å; M61-A63 VanDerWaalsContact C-N 3.31Å; M61-M64 HydrophobicContact CE-CB 4.33Å; M61-M64 CarbonylContact O-C 3.58Å; M61-M64 PolarHBondContact O-N 3.09Å; M61-R68 HydrophobicContact CE-CB 4.07Å; M61-Y350 HydrophobicContact CE-CE1 4.2Å; M61-Y350 HydrophobicContact SD-CE1 3.69Å; M61-P378 HydrophobicContact CG-CB 3.76Å; M61-P378 HydrophobicContact CG-CG 4.31Å; M61-P378 HydrophobicContact SD-CB 3.69Å; M61-P378 HydrophobicContact SD-CG 4Å; M61-Y380 HydrophobicContact CE-CE2 3.71Å; M61-Y380 HydrophobicContact CG-CE2 4.46Å; M61-Y380 HydrophobicContact SD-CE2 4.25Å
62	Q	91.9	Very high	92.2	Very high	100 Å²	100	30.4 Å²	30.4	47%	0.467	14%	0.141	S	C	.	.	H	α-helix	trans	-78.1	-18.9	179.5	-64.2	83.5	-29.5	0	0	111.8	G59 N65	G59-Q62 VanDerWaalsContact CA-OE1 3.25Å; G59-Q62 WeakPolarHBondContact O-CB 3.49Å; G59-Q62 PolarHBondContact O-N 2.93Å; G59-Q62 VanDerWaalsContact O-N 3.09Å; G59-Q62 PolarHBondContact O-OE1 2.91Å; Q62-N65 PolarHBondContact O-ND2 2.82Å; Q62-N65 PolarHBondContact O-OD1 3.36Å
63	A	91.4	Very high	91.7	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-76.1	-31.5	164.6	0	0	0	0	0	112.6	G59 M61 N65 F239 L284	G59-A63 PolarHBondContact O-N 2.75Å; M61-A63 VanDerWaalsContact C-N 3.31Å; A63-N65 PolarHBondContact O-N 2.94Å; A63-F239 HydrophobicContact CB-CE1 4.03Å; A63-F239 HydrophobicContact CB-CE2 4.05Å; A63-F239 HydrophobicContact CB-CZ 3.46Å; A63-F239 VanDerWaalsContact CB-CZ 3.46Å; A63-L284 HydrophobicContact CB-CB 4.14Å; A63-L284 HydrophobicContact CB-CD1 4.5Å; A63-L284 HydrophobicContact CB-CD2 3.87Å; A63-L284 HydrophobicContact CB-CG 4.37Å
64	M	92.3	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.			trans	-93.8	59.5	-173.9	-67.3	-168.6	64.3	0	0	112.8	Q54 M61 K66 T67 R68 L287 V290 D291 Y350	Q54-M64 PolarHBondContact NE2-SD 3.26Å; Q54-M64 VanDerWaalsContact NE2-SD 3.42Å; M61-M64 HydrophobicContact CE-CB 4.33Å; M61-M64 CarbonylContact O-C 3.58Å; M61-M64 PolarHBondContact O-N 3.09Å; M64-K66 VanDerWaalsContact C-N 3.34Å; M64-K66 PolarHBondContact O-N 2.69Å; M64-T67 HydrophobicContact CE-CG2 4.18Å; M64-T67 WeakPolarHBondContact CE-OG1 3.34Å; M64-R68 WeakPolarHBondContact O-CB 3.43Å; M64-R68 PolarHBondContact O-N 3.39Å; M64-L287 HydrophobicContact CG-CB 3.84Å; M64-L287 HydrophobicContact CG-CD1 4.37Å; M64-L287 HydrophobicContact SD-CB 3.84Å; M64-L287 HydrophobicContact SD-CD1 4.19Å; M64-L287 HydrophobicContact SD-CD2 3.79Å; M64-L287 HydrophobicContact SD-CG 4.16Å; M64-V290 HydrophobicContact CE-CB 3.77Å; M64-V290 HydrophobicContact CE-CG1 3.79Å; M64-D291 VanDerWaalsContact C-CG 3.49Å; M64-D291 VanDerWaalsContact C-OD2 3.32Å; M64-D291 VanDerWaalsContact CA-CG 3.42Å; M64-D291 VanDerWaalsContact CA-OD1 3.29Å; M64-D291 WeakPolarHBondContact CA-OD1 3.43Å; M64-D291 WeakPolarHBondContact CA-OD2 3.39Å; M64-D291 HydrophobicContact CB-CB 4.39Å; M64-D291 WeakPolarHBondContact CB-OD1 3.29Å; M64-D291 HydrophobicContact CE-CB 4.15Å; M64-D291 HydrophobicContact CG-CB 4.29Å; M64-Y350 HydrophobicContact CE-CE2 4.07Å; M64-Y350 VanDerWaalsContact CE-OH 3.27Å; M64-Y350 WeakPolarHBondContact CE-OH 3.5Å; M64-Y350 PolarHBondContact SD-OH 3.41Å
65	N	90.4	Very high	91	Very high	97 Å²	97	35.6 Å²	35.6	52%	0.519	17%	0.168	S	C	.	.	H	α-helix	trans	-67.2	-30.4	-172.3	-72.4	-60.7	0	0	0	113.7	Q62 A63 R69 D291	Q62-N65 PolarHBondContact O-ND2 2.82Å; Q62-N65 PolarHBondContact O-OD1 3.36Å; A63-N65 PolarHBondContact O-N 2.94Å; N65-R69 WeakPolarHBondContact O-CB 3.39Å; N65-R69 PolarHBondContact O-N 2.9Å; N65-D291 PolarHBondContact N-OD2 3.3Å; N65-D291 VanDerWaalsContact N-OD2 3.15Å
66	K	89.6	Confident	91	Very high	62 Å²	62	35.7 Å²	35.7	27%	0.27	17%	0.169	S	C	.	.	H	α-helix	trans	-69.9	-53.4	179.1	-58.1	165.6	173.2	-171.1	0	110.1	M64 R69 I70 D291 D292 E295	M64-K66 VanDerWaalsContact C-N 3.34Å; M64-K66 PolarHBondContact O-N 2.69Å; K66-R69 PolarHBondContact O-N 3.27Å; K66-I70 WeakPolarHBondContact O-CB 3.23Å; K66-I70 WeakPolarHBondContact O-CD1 3.45Å; K66-I70 WeakPolarHBondContact O-CG1 3.41Å; K66-I70 PolarHBondContact O-N 3.31Å; K66-D291 VanDerWaalsContact CB-OD2 3.29Å; K66-D291 WeakPolarHBondContact CB-OD2 3.4Å; K66-D291 HydrophobicContact CD-CB 4.49Å; K66-D291 VanDerWaalsContact CG-OD2 3.32Å; K66-D291 WeakPolarHBondContact CG-OD2 3.48Å; K66-D291 PolarHBondContact N-OD1 3.42Å; K66-D291 PolarHBondContact N-OD2 3Å; K66-D292 IonicContact NZ-OD1 2.71Å; K66-D292 PolarHBondContact NZ-OD1 3.38Å; K66-D292 IonicContact NZ-OD2 2.67Å; K66-E295 HydrophobicContact CD-CB 4.18Å; K66-E295 VanDerWaalsContact CD-CD 3.49Å; K66-E295 HydrophobicContact CD-CG 4.03Å; K66-E295 WeakPolarHBondContact CD-OE1 3.49Å; K66-E295 VanDerWaalsContact CE-CD 3.43Å; K66-E295 WeakPolarHBondContact CE-OE1 3.25Å; K66-E295 WeakPolarHBondContact CE-OE2 3.43Å; K66-E295 IonicContact NZ-OE1 3.85Å; K66-E295 PolarHBondContact NZ-OE1 2.64Å; K66-E295 VanDerWaalsContact NZ-OE1 3.08Å; K66-E295 IonicContact NZ-OE2 3.06Å; K66-E295 PolarHBondContact NZ-OE2 2.87Å
67	T	91.6	Very high	91.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-51.7	176.3	-57.7	0	0	0	0	110.6	M64 R69 I70 M71 D291 V294 Y350	M64-T67 HydrophobicContact CE-CG2 4.18Å; M64-T67 WeakPolarHBondContact CE-OG1 3.34Å; T67-R69 VanDerWaalsContact C-N 3.35Å; T67-R69 PolarHBondContact O-N 3.34Å; T67-I70 PolarHBondContact O-N 3.02Å; T67-M71 HydrophobicContact CG2-CG 4.25Å; T67-M71 WeakPolarHBondContact O-CB 3.26Å; T67-M71 VanDerWaalsContact O-CG 3.24Å; T67-M71 WeakPolarHBondContact O-CG 3.35Å; T67-M71 PolarHBondContact O-N 3.37Å; T67-D291 WeakPolarHBondContact CA-OD1 3.25Å; T67-D291 WeakPolarHBondContact CB-OD1 3.25Å; T67-D291 PolarHBondContact N-OD1 3.07Å; T67-D291 WeakPolarHBondContact OG1-CA 3.33Å; T67-D291 PolarHBondContact OG1-OD1 2.93Å; T67-V294 HydrophobicContact CG2-CB 4.5Å; T67-V294 HydrophobicContact CG2-CG1 4.25Å; T67-V294 HydrophobicContact CG2-CG2 4.22Å; T67-Y350 HydrophobicContact CG2-CD2 3.7Å; T67-Y350 HydrophobicContact CG2-CE2 3.65Å; T67-Y350 HydrophobicContact CG2-CG 4.22Å
68	R	91.4	Very high	91.3	Very high	92 Å²	92	33.7 Å²	33.7	35%	0.347	16%	0.156	S	C	.	.	H	α-helix	trans	-55.1	-51.7	-179.6	-177.8	177.9	174	-141.8	-22.9	110.6	M61 M64 M71 E72	M61-R68 HydrophobicContact CE-CB 4.07Å; M64-R68 WeakPolarHBondContact O-CB 3.43Å; M64-R68 PolarHBondContact O-N 3.39Å; R68-M71 PolarHBondContact O-N 3.42Å; R68-E72 HydrophobicContact CG-CG 4.33Å; R68-E72 VanDerWaalsContact CG-OE1 3.22Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 2.74Å; R68-E72 IonicContact CZ-OE2 3.22Å; R68-E72 VanDerWaalsContact NE-CD 3.34Å; R68-E72 IonicContact NE-OE1 3.84Å; R68-E72 PolarHBondContact NE-OE1 3.39Å; R68-E72 IonicContact NE-OE2 3.07Å; R68-E72 PolarHBondContact NE-OE2 3.23Å; R68-E72 IonicContact NH2-OE1 2.67Å; R68-E72 PolarHBondContact NH2-OE1 2.99Å; R68-E72 IonicContact NH2-OE2 3.66Å; R68-E72 PolarHBondContact NH2-OE2 3.4Å; R68-E72 WeakPolarHBondContact O-CB 3.48Å; R68-E72 VanDerWaalsContact O-CG 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.29Å; R68-E72 PolarHBondContact O-N 3.43Å
69	R	90.6	Very high	91.4	Very high	118 Å²	118	35.2 Å²	35.2	45%	0.445	17%	0.166	S	C	.	.	H	α-helix	trans	-57.9	-51.5	176.7	-179.3	-175.6	-174.4	126.9	23.2	112.4	N65 K66 T67 M71 E72 E73	N65-R69 WeakPolarHBondContact O-CB 3.39Å; N65-R69 PolarHBondContact O-N 2.9Å; K66-R69 PolarHBondContact O-N 3.27Å; T67-R69 VanDerWaalsContact C-N 3.35Å; T67-R69 PolarHBondContact O-N 3.34Å; R69-M71 PolarHBondContact O-N 3.38Å; R69-E72 PolarHBondContact O-N 3.32Å; R69-E73 VanDerWaalsContact CG-CD 3.49Å; R69-E73 HydrophobicContact CG-CG 3.99Å; R69-E73 WeakPolarHBondContact CG-OE2 3.31Å; R69-E73 IonicContact CZ-OE1 3.46Å; R69-E73 VanDerWaalsContact CZ-OE1 3.22Å; R69-E73 IonicContact CZ-OE2 2.63Å; R69-E73 IonicContact NE-OE1 2.64Å; R69-E73 PolarHBondContact NE-OE1 2.87Å; R69-E73 VanDerWaalsContact NE-OE1 3.07Å; R69-E73 IonicContact NE-OE2 3.08Å; R69-E73 PolarHBondContact NE-OE2 3.13Å; R69-E73 IonicContact NH2-OE1 2.14Å; R69-E73 PolarHBondContact NH2-OE1 3.48Å; R69-E73 IonicContact NH2-OE2 3.95Å; R69-E73 WeakPolarHBondContact O-CB 3.37Å; R69-E73 WeakPolarHBondContact O-CG 3.46Å; R69-E73 PolarHBondContact O-N 3.01Å
70	I	90	Very high	91.7	Very high	9 Å²	9	36 Å²	36	5%	0.046	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-30.7	-176.8	-70.6	164.7	0	0	0	111.5	K66 T67 V294 Q296 F334 R382	K66-I70 WeakPolarHBondContact O-CB 3.23Å; K66-I70 WeakPolarHBondContact O-CD1 3.45Å; K66-I70 WeakPolarHBondContact O-CG1 3.41Å; K66-I70 PolarHBondContact O-N 3.31Å; T67-I70 PolarHBondContact O-N 3.02Å; I70-V294 HydrophobicContact CD1-CG1 4.37Å; I70-V294 WeakPolarHBondContact CD1-O 3.19Å; I70-V294 HydrophobicContact CG2-CG1 4.24Å; I70-Q296 HydrophobicContact CD1-CB 3.79Å; I70-Q296 HydrophobicContact CG1-CB 4.25Å; I70-F334 HydrophobicContact CG2-CB 4.37Å; I70-F334 HydrophobicContact CG2-CD2 3.63Å; I70-F334 HydrophobicContact CG2-CE2 4.2Å; I70-F334 HydrophobicContact CG2-CG 4.11Å; I70-R382 PolarHBondContact O-NH1 2.99Å
71	M	92.3	Very high	91.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-84.5	-37.2	177.5	-64.7	-60.7	-68.9	0	0	112.9	T67 R68 R69 G75 I348 Y380 R382	T67-M71 HydrophobicContact CG2-CG 4.25Å; T67-M71 WeakPolarHBondContact O-CB 3.26Å; T67-M71 VanDerWaalsContact O-CG 3.24Å; T67-M71 WeakPolarHBondContact O-CG 3.35Å; T67-M71 PolarHBondContact O-N 3.37Å; R68-M71 PolarHBondContact O-N 3.42Å; R69-M71 PolarHBondContact O-N 3.38Å; M71-G75 PolarHBondContact O-N 3.1Å; M71-G75 VanDerWaalsContact O-N 3.16Å; M71-I348 HydrophobicContact CE-CG2 4.37Å; M71-I348 HydrophobicContact SD-CB 4.47Å; M71-I348 HydrophobicContact SD-CG2 4.16Å; M71-Y380 HydrophobicContact CB-CD1 3.93Å; M71-Y380 HydrophobicContact CB-CG 3.94Å; M71-Y380 WeakPolarHBondContact CE-O 3.36Å; M71-R382 HydrophobicContact CE-CG 3.87Å; M71-R382 HydrophobicContact SD-CG 3.77Å
72	E	89.7	Confident	92.2	Very high	48 Å²	48	35.7 Å²	35.7	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-72.6	-52.2	177.2	-71.8	174.9	-175.1	0	0	111.9	R68 R69 G74 G75 Y380 G389	R68-E72 HydrophobicContact CG-CG 4.33Å; R68-E72 VanDerWaalsContact CG-OE1 3.22Å; R68-E72 WeakPolarHBondContact CG-OE1 3.46Å; R68-E72 IonicContact CZ-OE1 2.74Å; R68-E72 IonicContact CZ-OE2 3.22Å; R68-E72 VanDerWaalsContact NE-CD 3.34Å; R68-E72 IonicContact NE-OE1 3.84Å; R68-E72 PolarHBondContact NE-OE1 3.39Å; R68-E72 IonicContact NE-OE2 3.07Å; R68-E72 PolarHBondContact NE-OE2 3.23Å; R68-E72 IonicContact NH2-OE1 2.67Å; R68-E72 PolarHBondContact NH2-OE1 2.99Å; R68-E72 IonicContact NH2-OE2 3.66Å; R68-E72 PolarHBondContact NH2-OE2 3.4Å; R68-E72 WeakPolarHBondContact O-CB 3.48Å; R68-E72 VanDerWaalsContact O-CG 3.31Å; R68-E72 WeakPolarHBondContact O-CG 3.29Å; R68-E72 PolarHBondContact O-N 3.43Å; R69-E72 PolarHBondContact O-N 3.32Å; E72-G74 PolarHBondContact O-N 2.85Å; E72-G74 VanDerWaalsContact O-N 3.14Å; E72-G75 PolarHBondContact O-N 2.9Å; E72-Y380 HydrophobicContact CG-CD1 4.12Å; E72-Y380 HydrophobicContact CG-CE1 3.54Å; E72-Y380 WeakPolarHBondContact OE1-CE1 3.3Å; E72-Y380 PolarHBondContact OE1-OH 3.06Å; E72-Y380 VanDerWaalsContact OE1-OH 3.07Å; E72-G389 VanDerWaalsContact O-CA 3.26Å; E72-G389 WeakPolarHBondContact O-CA 3.3Å; E72-G389 PolarHBondContact O-N 3.04Å
73	E	87.6	Confident	92.5	Very high	101 Å²	101	31 Å²	31	47%	0.472	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.7	178.2	-67.2	-175.9	147.6	0	0	112.6	R69	R69-E73 VanDerWaalsContact CG-CD 3.49Å; R69-E73 HydrophobicContact CG-CG 3.99Å; R69-E73 WeakPolarHBondContact CG-OE2 3.31Å; R69-E73 IonicContact CZ-OE1 3.46Å; R69-E73 VanDerWaalsContact CZ-OE1 3.22Å; R69-E73 IonicContact CZ-OE2 2.63Å; R69-E73 IonicContact NE-OE1 2.64Å; R69-E73 PolarHBondContact NE-OE1 2.87Å; R69-E73 VanDerWaalsContact NE-OE1 3.07Å; R69-E73 IonicContact NE-OE2 3.08Å; R69-E73 PolarHBondContact NE-OE2 3.13Å; R69-E73 IonicContact NH2-OE1 2.14Å; R69-E73 PolarHBondContact NH2-OE1 3.48Å; R69-E73 IonicContact NH2-OE2 3.95Å; R69-E73 WeakPolarHBondContact O-CB 3.37Å; R69-E73 WeakPolarHBondContact O-CG 3.46Å; R69-E73 PolarHBondContact O-N 3.01Å
74	G	84.9	Confident	92.7	Very high	11 Å²	11	30.7 Å²	30.7	11%	0.113	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-1.7	-174.5	0	0	0	0	0	116.5	E72 R382	E72-G74 PolarHBondContact O-N 2.85Å; E72-G74 VanDerWaalsContact O-N 3.14Å; G74-R382 WeakPolarHBondContact O-CB 3.3Å
75	G	91.4	Very high	92.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-150	-173.4	0	0	0	0	0	115.2	M71 E72 I381 E387 G389 S390	M71-G75 PolarHBondContact O-N 3.1Å; M71-G75 VanDerWaalsContact O-N 3.16Å; E72-G75 PolarHBondContact O-N 2.9Å; G75-I381 WeakPolarHBondContact CA-O 3.25Å; G75-E387 CarbonylContact C-O 3.48Å; G75-E387 VanDerWaalsContact O-O 3.06Å; G75-G389 PolarHBondContact O-N 2.87Å; G75-S390 PolarHBondContact O-N 3.02Å
76	T	93.8	Very high	93.1	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.4	-172.4	-55.2	0	0	0	0	111.7	F78 I381 V386 E387 S390 N392 L426	T76-F78 HydrophobicContact CG2-CD2 4.22Å; T76-F78 HydrophobicContact CG2-CE2 4.02Å; T76-F78 HydrophobicContact CG2-CZ 4.49Å; T76-I381 PolarHBondContact N-O 3.22Å; T76-I381 PolarHBondContact O-N 3.24Å; T76-V386 WeakPolarHBondContact OG1-CG1 3.2Å; T76-E387 PolarHBondContact OG1-O 3.14Å; T76-S390 WeakPolarHBondContact CA-O 3.37Å; T76-S390 WeakPolarHBondContact CA-OG 3.25Å; T76-S390 WeakPolarHBondContact CB-OG 3.38Å; T76-S390 WeakPolarHBondContact CG2-OG 3.02Å; T76-S390 PolarHBondContact OG1-OG 3.04Å; T76-N392 HydrophobicContact CG2-CB 3.64Å; T76-L426 HydrophobicContact CG2-CD2 3.92Å
77	F	94.9	Very high	93.3	Very high	44 Å²	44	24.6 Å²	24.6	19%	0.193	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.3	163.8	173.4	-128	0	0	0	110.5	F379 Y380 S390 I391 N392	F77-F379 WeakPolarHBondContact CD2-O 3.2Å; F77-Y380 HydrophobicContact CB-CD1 3.7Å; F77-Y380 HydrophobicContact CB-CE1 3.63Å; F77-Y380 AromaticContact CD2-CD1 3.62Å; F77-Y380 HydrophobicContact CD2-CD1 3.62Å; F77-Y380 HydrophobicContact CD2-CD2 4.16Å; F77-Y380 AromaticContact CD2-CE1 3.26Å; F77-Y380 HydrophobicContact CD2-CE1 3.26Å; F77-Y380 AromaticContact CD2-CE2 3.85Å; F77-Y380 HydrophobicContact CD2-CE2 3.85Å; F77-Y380 HydrophobicContact CD2-CG 4.05Å; F77-Y380 AromaticContact CD2-CZ 3.41Å; F77-Y380 VanDerWaalsContact CD2-CZ 3.41Å; F77-Y380 HydrophobicContact CE2-CE1 4.08Å; F77-Y380 HydrophobicContact CE2-CE2 4.01Å; F77-Y380 AromaticContact CE2-CZ 3.75Å; F77-Y380 HydrophobicContact CG-CD1 4.02Å; F77-Y380 AromaticContact CG-CE1 3.6Å; F77-Y380 HydrophobicContact CG-CE1 3.6Å; F77-S390 PolarHBondContact N-O 2.89Å; F77-I391 HydrophobicContact CD1-CG1 4.42Å; F77-I391 HydrophobicContact CD1-CG2 4.17Å; F77-I391 CarbonylContact O-C 3.56Å; F77-I391 WeakPolarHBondContact O-CA 3.47Å; F77-N392 PolarHBondContact O-N 2.89Å
78	F	96	Very high	93.4	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.4	169.4	-77.3	-93.5	0	0	0	109.7	T76 N80 F379 I381 N392 V396 I422 L425 L426	T76-F78 HydrophobicContact CG2-CD2 4.22Å; T76-F78 HydrophobicContact CG2-CE2 4.02Å; T76-F78 HydrophobicContact CG2-CZ 4.49Å; F78-N80 VanDerWaalsContact C-N 3.25Å; F78-N80 PolarHBondContact O-N 3.13Å; F78-F379 HydrophobicContact CB-CB 4.34Å; F78-F379 HydrophobicContact CB-CD1 4.14Å; F78-F379 AromaticContact CD2-CD1 3.63Å; F78-F379 HydrophobicContact CD2-CD1 3.63Å; F78-F379 AromaticContact CD2-CE1 3.88Å; F78-F379 HydrophobicContact CD2-CE1 3.88Å; F78-F379 HydrophobicContact CE2-CD1 4.39Å; F78-F379 HydrophobicContact CE2-CE1 4.19Å; F78-F379 HydrophobicContact CG-CD1 4.19Å; F78-F379 PolarHBondContact N-O 3.46Å; F78-I381 HydrophobicContact CD2-CG2 4.35Å; F78-I381 HydrophobicContact CE2-CG2 3.81Å; F78-N392 WeakPolarHBondContact CA-O 3.03Å; F78-N392 HydrophobicContact CD1-CB 3.66Å; F78-N392 HydrophobicContact CE1-CB 3.6Å; F78-N392 HydrophobicContact CG-CB 4.22Å; F78-N392 HydrophobicContact CZ-CB 4.09Å; F78-V396 HydrophobicContact CB-CG2 4.33Å; F78-V396 HydrophobicContact CD1-CB 4.45Å; F78-V396 HydrophobicContact CD1-CG2 3.31Å; F78-V396 HydrophobicContact CD2-CG2 4.39Å; F78-V396 HydrophobicContact CE1-CG2 3.52Å; F78-V396 HydrophobicContact CG-CG2 3.77Å; F78-V396 HydrophobicContact CZ-CG2 4.15Å; F78-I422 HydrophobicContact CE2-CD1 3.89Å; F78-I422 HydrophobicContact CZ-CD1 4.02Å; F78-L425 HydrophobicContact CE1-CB 4.43Å; F78-L425 HydrophobicContact CE1-CD1 3.96Å; F78-L425 HydrophobicContact CZ-CB 4.43Å; F78-L426 HydrophobicContact CE2-CD2 3.75Å; F78-L426 HydrophobicContact CE2-CG 4.43Å; F78-L426 HydrophobicContact CZ-CD2 3.7Å; F78-L426 HydrophobicContact CZ-CG 4.18Å
79	S	94.4	Very high	93.5	Very high	32 Å²	32	20.2 Å²	20.2	22%	0.224	10%	0.097	C	C	.	.	S	Bend	trans	-69.4	-25	-176.6	60.2	0	0	0	0	113.2	R376 N392	S79-R376 PolarHBondContact O-NE 3.02Å; S79-R376 PolarHBondContact O-NH2 3.41Å; S79-N392 PolarHBondContact N-O 2.89Å
80	N	95.8	Very high	93.7	Very high	23 Å²	23	14.6 Å²	14.6	12%	0.123	8%	0.076	C	C	.	.	S	Bend	trans	-115.7	61.8	-173.3	-71.3	-30.7	0	0	0	111.3	F78 F82 R376 P393 M395 V396 I802	F78-N80 VanDerWaalsContact C-N 3.25Å; F78-N80 PolarHBondContact O-N 3.13Å; N80-F82 VanDerWaalsContact C-CE2 3.49Å; N80-F82 HydrophobicContact CB-CE2 3.96Å; N80-F82 WeakPolarHBondContact O-CD2 3.5Å; N80-F82 WeakPolarHBondContact O-CE2 3.37Å; N80-R376 PolarHBondContact OD1-NH2 2.81Å; N80-P393 PolarHBondContact ND2-O 3.08Å; N80-M395 HydrophobicContact CB-CG 4.16Å; N80-M395 VanDerWaalsContact O-CA 3.3Å; N80-M395 WeakPolarHBondContact O-CA 3.47Å; N80-V396 PolarHBondContact O-N 3.44Å; N80-I802 HydrophobicContact CB-CD1 4.35Å
81	A	97.4	Very high	94.1	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.017	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133	178.3	0	0	0	0	0	113	R376 V377 F379 V396	A81-R376 WeakPolarHBondContact O-CG 3.26Å; A81-V377 PolarHBondContact O-N 3.25Å; A81-F379 HydrophobicContact CB-CB 3.27Å; A81-F379 HydrophobicContact CB-CD2 4.47Å; A81-F379 HydrophobicContact CB-CG 4.11Å; A81-V396 WeakPolarHBondContact CA-O 3.48Å
82	F	98.1	Very high	94.4	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	163.6	-170	-55.5	-85.2	0	0	0	113.7	N80 E372 I375 R376 M395 V396 L397 N398 F448 I802	N80-F82 VanDerWaalsContact C-CE2 3.49Å; N80-F82 HydrophobicContact CB-CE2 3.96Å; N80-F82 WeakPolarHBondContact O-CD2 3.5Å; N80-F82 WeakPolarHBondContact O-CE2 3.37Å; F82-E372 WeakPolarHBondContact CE1-OE1 3.44Å; F82-I375 CarbonylContact C-O 3.55Å; F82-I375 VanDerWaalsContact CA-O 3.23Å; F82-I375 WeakPolarHBondContact CA-O 3.26Å; F82-I375 HydrophobicContact CD1-CD1 4.2Å; F82-I375 HydrophobicContact CD1-CG1 4.18Å; F82-R376 HydrophobicContact CD1-CB 3.9Å; F82-R376 HydrophobicContact CD1-CG 3.99Å; F82-R376 HydrophobicContact CE1-CB 3.88Å; F82-R376 HydrophobicContact CE1-CG 3.7Å; F82-R376 HydrophobicContact CZ-CG 4.39Å; F82-M395 HydrophobicContact CE2-CG 4.34Å; F82-M395 HydrophobicContact CE2-SD 4.27Å; F82-V396 PolarHBondContact N-O 3.09Å; F82-L397 HydrophobicContact CB-CD2 3.87Å; F82-L397 CarbonylContact O-C 3.47Å; F82-L397 VanDerWaalsContact O-CA 3.31Å; F82-L397 WeakPolarHBondContact O-CA 3.43Å; F82-N398 PolarHBondContact O-N 2.93Å; F82-F448 HydrophobicContact CB-CE1 4.27Å; F82-F448 HydrophobicContact CB-CE2 3.89Å; F82-F448 HydrophobicContact CB-CZ 3.43Å; F82-F448 VanDerWaalsContact CB-CZ 3.43Å; F82-F448 HydrophobicContact CD1-CZ 4.1Å; F82-F448 AromaticContact CD2-CE1 3.72Å; F82-F448 HydrophobicContact CD2-CE1 3.72Å; F82-F448 AromaticContact CD2-CZ 3.7Å; F82-F448 HydrophobicContact CD2-CZ 3.7Å; F82-F448 HydrophobicContact CE2-CE1 4.24Å; F82-F448 HydrophobicContact CE2-CZ 4.48Å; F82-F448 HydrophobicContact CG-CE1 4.02Å; F82-F448 HydrophobicContact CG-CE2 4.41Å; F82-F448 AromaticContact CG-CZ 3.48Å; F82-F448 HydrophobicContact CG-CZ 3.48Å; F82-F448 VanDerWaalsContact CG-CZ 3.48Å; F82-I802 HydrophobicContact CE2-CD1 3.66Å; F82-I802 HydrophobicContact CZ-CD1 3.61Å
83	V	98.1	Very high	94.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.			trans	-108.5	139.7	170.9	-54.3	0	0	0	0	110.7	T85 D353 H354 I375 V377 N398	V83-T85 PolarHBondContact O-N 2.63Å; V83-D353 WeakPolarHBondContact CG1-O 3.46Å; V83-H354 HydrophobicContact CG1-CB 4.33Å; V83-H354 HydrophobicContact CG2-CB 3.72Å; V83-I375 PolarHBondContact N-O 2.86Å; V83-V377 HydrophobicContact CG1-CG1 3.72Å; V83-V377 HydrophobicContact CG1-CG2 3.94Å; V83-N398 HydrophobicContact CB-CB 4.32Å; V83-N398 HydrophobicContact CG1-CB 4.13Å
84	T	97	Very high	95.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	-71.1	-11.2	176.4	50.9	0	0	0	0	113.2	Y100 L397 N398 I399 V450 E451	T84-Y100 HydrophobicContact CG2-CD1 3.83Å; T84-Y100 HydrophobicContact CG2-CE1 3.27Å; T84-L397 HydrophobicContact CG2-CB 4.44Å; T84-L397 HydrophobicContact CG2-CD1 4.15Å; T84-N398 WeakPolarHBondContact CB-OD1 3.47Å; T84-N398 WeakPolarHBondContact CG2-OD1 3.33Å; T84-N398 PolarHBondContact N-OD1 2.8Å; T84-N398 VanDerWaalsContact N-OD1 3.11Å; T84-N398 PolarHBondContact OG1-ND2 2.94Å; T84-N398 PolarHBondContact OG1-OD1 2.9Å; T84-I399 HydrophobicContact CG2-CD1 4.15Å; T84-I399 HydrophobicContact CG2-CG1 4.16Å; T84-I399 HydrophobicContact CG2-CG2 4.11Å; T84-V450 WeakPolarHBondContact O-CA 3.44Å; T84-E451 PolarHBondContact O-N 3.34Å
85	T	95.7	Very high	95.8	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.012	4%	0.038	C	C	.	.	S	Bend	trans	-158	124.3	177.5	-168.7	0	0	0	0	111.9	V83 M87 P90 S91 V101 E451	V83-T85 PolarHBondContact O-N 2.63Å; T85-M87 VanDerWaalsContact C-N 3.25Å; T85-M87 PolarHBondContact O-N 3.45Å; T85-P90 HydrophobicContact CG2-CB 3.48Å; T85-P90 VanDerWaalsContact CG2-CB 3.48Å; T85-S91 VanDerWaalsContact CG2-N 3.33Å; T85-S91 WeakPolarHBondContact O-CB 3.47Å; T85-V101 HydrophobicContact CG2-CG2 3.52Å; T85-E451 VanDerWaalsContact CB-O 3.29Å; T85-E451 WeakPolarHBondContact CB-O 3.32Å; T85-E451 PolarHBondContact OG1-O 3.29Å
86	P	95.1	Very high	96.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-83.5	58.7	-176	29.7	-32.2	0	0	0	112.9	S368 M369 D374 I375 Y796	P86-S368 VanDerWaalsContact O-CA 3.29Å; P86-S368 WeakPolarHBondContact O-CA 3.33Å; P86-S368 PolarHBondContact O-N 2.61Å; P86-M369 VanDerWaalsContact CG-O 3.29Å; P86-M369 WeakPolarHBondContact CG-O 3.43Å; P86-D374 HydrophobicContact CB-CB 3.95Å; P86-D374 WeakPolarHBondContact CB-O 3.39Å; P86-I375 HydrophobicContact CB-CG2 4.26Å; P86-I375 HydrophobicContact CG-CG2 4.12Å; P86-Y796 VanDerWaalsContact CG-OH 3.24Å; P86-Y796 WeakPolarHBondContact CG-OH 3.21Å
87	M	93.2	Very high	96.4	Very high	29 Å²	29	7.5 Å²	7.5	14%	0.143	4%	0.04	C	C	.	.	S	Bend	trans	-154.1	129.7	-178.6	-80	-62.6	-48.2	0	0	111.6	T85 C89 P90 S91 N109 H354 S368	T85-M87 VanDerWaalsContact C-N 3.25Å; T85-M87 PolarHBondContact O-N 3.45Å; M87-C89 PolarHBondContact O-N 3.49Å; M87-P90 HydrophobicContact CB-CB 4.15Å; M87-P90 HydrophobicContact CB-CG 3.69Å; M87-P90 VanDerWaalsContact O-CD 3.31Å; M87-P90 WeakPolarHBondContact O-CD 3.42Å; M87-S91 WeakPolarHBondContact O-CB 3.42Å; M87-S91 PolarHBondContact O-N 3.05Å; M87-N109 HydrophobicContact CE-CB 4.36Å; M87-N109 WeakPolarHBondContact CE-OD1 3.39Å; M87-H354 PolarHBondContact N-CD2 2.78Å; M87-S368 WeakPolarHBondContact SD-CB 3.32Å
88	C	93.7	Very high	96.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-50.4	-62.3	-168.2	-39.7	0	0	0	0	115.6	S91 R92 K143 D353 H354 K367	C88-S91 PolarHBondContact O-N 3.2Å; C88-R92 VanDerWaalsContact O-CB 3.26Å; C88-R92 WeakPolarHBondContact O-CB 3.38Å; C88-R92 WeakPolarHBondContact O-CD 3.47Å; C88-R92 WeakPolarHBondContact O-CG 3.43Å; C88-R92 PolarHBondContact O-N 3.47Å; C88-K143 PolarHBondContact SG-NZ 3.39Å; C88-D353 WeakPolarHBondContact CA-OD2 3.42Å; C88-D353 VanDerWaalsContact CB-OD2 3.23Å; C88-D353 WeakPolarHBondContact CB-OD2 3.36Å; C88-H354 PolarHBondContact N-CD2 3.27Å; C88-H354 VanDerWaalsContact N-CD2 3.27Å; C88-H354 PolarHBondContact N-NE2 3.18Å; C88-H354 PolarHBondContact SG-NE2 3.48Å; C88-K367 PolarHBondContact SG-NZ 3.36Å
89	C	94.3	Very high	96.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-72.3	-37.5	-172.9	-164.4	0	0	0	0	114	M87 S93 N109 C113 N146	M87-C89 PolarHBondContact O-N 3.49Å; C89-S93 WeakPolarHBondContact O-CB 3.32Å; C89-S93 PolarHBondContact O-N 2.98Å; C89-S93 PolarHBondContact O-OG 3.3Å; C89-N109 HydrophobicContact CB-CB 4.39Å; C89-N109 WeakPolarHBondContact CB-OD1 3.34Å; C89-N109 PolarHBondContact N-OD1 2.86Å; C89-C113 HydrophobicContact CB-CB 3.92Å; C89-C113 WeakPolarHBondContact CB-SG 3.33Å; C89-C113 VanDerWaalsContact SG-CA 3.57Å; C89-C113 WeakPolarHBondContact SG-CB 3.48Å; C89-C113 CovalentContact SG-SG 2.02Å; C89-C113 PolarHBondContact SG-SG 2.91Å; C89-N146 HydrophobicContact CB-CB 4.17Å
90	P	95.4	Very high	96.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-50.8	-59.3	163.2	-28.4	36.1	0	0	0	111.9	T85 M87 R92 S93 S94 V101 H104 T106 N109	T85-P90 HydrophobicContact CG2-CB 3.48Å; T85-P90 VanDerWaalsContact CG2-CB 3.48Å; M87-P90 HydrophobicContact CB-CB 4.15Å; M87-P90 HydrophobicContact CB-CG 3.69Å; M87-P90 VanDerWaalsContact O-CD 3.31Å; M87-P90 WeakPolarHBondContact O-CD 3.42Å; P90-R92 PolarHBondContact O-N 3.38Å; P90-S93 WeakPolarHBondContact O-CA 3.42Å; P90-S93 VanDerWaalsContact O-CB 3.26Å; P90-S93 WeakPolarHBondContact O-CB 3.15Å; P90-S93 PolarHBondContact O-N 2.98Å; P90-S94 PolarHBondContact O-N 2.8Å; P90-S94 PolarHBondContact O-OG 2.96Å; P90-V101 HydrophobicContact CB-CG2 4.39Å; P90-H104 PolarHBondContact O-CE1 2.94Å; P90-T106 WeakPolarHBondContact CA-O 3.23Å; P90-T106 WeakPolarHBondContact CB-O 3.3Å; P90-T106 VanDerWaalsContact CG-O 3.22Å; P90-T106 WeakPolarHBondContact CG-O 3.32Å; P90-N109 VanDerWaalsContact CD-OD1 3.25Å; P90-N109 WeakPolarHBondContact CD-OD1 3.09Å
91	S	97.4	Very high	96.6	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-62.6	-46	-175.3	-173.7	0	0	0	0	112.8	T85 M87 C88 S93 S94 M95 D353 N398	T85-S91 VanDerWaalsContact CG2-N 3.33Å; T85-S91 WeakPolarHBondContact O-CB 3.47Å; M87-S91 WeakPolarHBondContact O-CB 3.42Å; M87-S91 PolarHBondContact O-N 3.05Å; C88-S91 PolarHBondContact O-N 3.2Å; S91-S93 PolarHBondContact O-N 2.87Å; S91-S94 CarbonylContact O-C 3.53Å; S91-S94 WeakPolarHBondContact O-CA 3.26Å; S91-S94 WeakPolarHBondContact O-CB 3.39Å; S91-S94 PolarHBondContact O-N 2.95Å; S91-M95 VanDerWaalsContact O-CG 3.3Å; S91-M95 WeakPolarHBondContact O-CG 3.31Å; S91-M95 PolarHBondContact O-N 2.82Å; S91-D353 WeakPolarHBondContact CB-O 3.23Å; S91-D353 PolarHBondContact OG-O 2.81Å; S91-N398 PolarHBondContact OG-ND2 3.46Å
92	R	97.7	Very high	96.5	Very high	6 Å²	6	4.4 Å²	4.4	2%	0.023	2%	0.021	C	C	.	.	H	α-helix	trans	-62.4	-31.1	175.8	-67.5	167.8	-178.6	-80.2	-14.4	112.1	T51 D52 C88 P90 M95 L96 K143 Y144 L145 S221 D353	T51-R92 PolarHBondContact O-NH2 2.97Å; D52-R92 IonicContact OD1-CZ 3.27Å; D52-R92 IonicContact OD1-NE 2.9Å; D52-R92 PolarHBondContact OD1-NE 2.98Å; D52-R92 IonicContact OD1-NH2 3.75Å; D52-R92 PolarHBondContact OD1-NH2 3.12Å; C88-R92 VanDerWaalsContact O-CB 3.26Å; C88-R92 WeakPolarHBondContact O-CB 3.38Å; C88-R92 WeakPolarHBondContact O-CD 3.47Å; C88-R92 WeakPolarHBondContact O-CG 3.43Å; C88-R92 PolarHBondContact O-N 3.47Å; P90-R92 PolarHBondContact O-N 3.38Å; R92-M95 HydrophobicContact CG-SD 4.39Å; R92-L96 VanDerWaalsContact O-CB 3.3Å; R92-L96 WeakPolarHBondContact O-CB 3.46Å; R92-L96 WeakPolarHBondContact O-CD1 3.28Å; R92-L96 WeakPolarHBondContact O-CG 3.48Å; R92-L96 PolarHBondContact O-N 3.04Å; R92-K143 PolarHBondContact NH1-O 2.93Å; R92-Y144 WeakPolarHBondContact CD-O 3.33Å; R92-L145 HydrophobicContact CB-CD2 3.5Å; R92-L145 VanDerWaalsContact CB-CD2 3.5Å; R92-S221 PolarHBondContact NH1-OG 3.46Å; R92-D353 HydrophobicContact CG-CB 3.83Å; R92-D353 IonicContact CZ-OD2 3.93Å; R92-D353 IonicContact NE-OD2 3.15Å; R92-D353 PolarHBondContact NE-OD2 2.89Å; R92-D353 IonicContact NH2-OD1 3.44Å; R92-D353 IonicContact NH2-OD2 2.83Å; R92-D353 PolarHBondContact NH2-OD2 3.18Å
93	S	97.3	Very high	96.3	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.9	-42.2	169.3	-59.9	0	0	0	0	111.3	C89 P90 S91 L96 T97 H104 T106 W118	C89-S93 WeakPolarHBondContact O-CB 3.32Å; C89-S93 PolarHBondContact O-N 2.98Å; C89-S93 PolarHBondContact O-OG 3.3Å; P90-S93 WeakPolarHBondContact O-CA 3.42Å; P90-S93 VanDerWaalsContact O-CB 3.26Å; P90-S93 WeakPolarHBondContact O-CB 3.15Å; P90-S93 PolarHBondContact O-N 2.98Å; S91-S93 PolarHBondContact O-N 2.87Å; S93-L96 PolarHBondContact O-N 2.94Å; S93-T97 WeakPolarHBondContact O-CB 3.27Å; S93-T97 WeakPolarHBondContact O-CG2 3.49Å; S93-T97 PolarHBondContact O-N 3Å; S93-T97 VanDerWaalsContact O-N 3.1Å; S93-T97 PolarHBondContact O-OG1 2.94Å; S93-H104 VanDerWaalsContact CB-CE1 3.4Å; S93-H104 WeakPolarHBondContact CB-CE1 3.43Å; S93-T106 PolarHBondContact OG-OG1 3.16Å; S93-W118 PolarHBondContact OG-NE1 3.33Å
94	S	98	Very high	96.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61	-46.5	175.9	-43.4	0	0	0	0	111.6	P90 S91 T97 G98 K99 H104	P90-S94 PolarHBondContact O-N 2.8Å; P90-S94 PolarHBondContact O-OG 2.96Å; S91-S94 CarbonylContact O-C 3.53Å; S91-S94 WeakPolarHBondContact O-CA 3.26Å; S91-S94 WeakPolarHBondContact O-CB 3.39Å; S91-S94 PolarHBondContact O-N 2.95Å; S94-T97 PolarHBondContact O-N 2.67Å; S94-G98 WeakPolarHBondContact O-CA 3.49Å; S94-G98 PolarHBondContact O-N 3.06Å; S94-K99 VanDerWaalsContact CA-O 3.24Å; S94-K99 WeakPolarHBondContact CA-O 3.44Å; S94-K99 WeakPolarHBondContact CB-O 3.36Å; S94-K99 PolarHBondContact O-N 3.19Å; S94-K99 PolarHBondContact OG-O 2.88Å; S94-H104 PolarHBondContact N-NE2 3.11Å; S94-H104 PolarHBondContact OG-NE2 3.01Å
95	M	98.2	Very high	95.9	Very high	7 Å²	7	8.7 Å²	8.7	3%	0.034	4%	0.044	C	C	.	.	H	α-helix	trans	-61.6	-44.8	175.9	-62.5	168.7	83.9	0	0	113	L50 S91 R92 T97 T351 D353 N398 L401	L50-M95 HydrophobicContact CD1-CE 3.64Å; L50-M95 HydrophobicContact CD1-SD 4.46Å; L50-M95 HydrophobicContact CD2-CE 3.8Å; L50-M95 HydrophobicContact CD2-SD 4.28Å; L50-M95 HydrophobicContact CG-CE 4.36Å; S91-M95 VanDerWaalsContact O-CG 3.3Å; S91-M95 WeakPolarHBondContact O-CG 3.31Å; S91-M95 PolarHBondContact O-N 2.82Å; R92-M95 HydrophobicContact CG-SD 4.39Å; M95-T97 VanDerWaalsContact C-N 3.33Å; M95-T97 PolarHBondContact O-N 3.45Å; M95-T351 HydrophobicContact CE-CG2 4.15Å; M95-D353 HydrophobicContact SD-CB 4.22Å; M95-N398 WeakPolarHBondContact CA-O 3.41Å; M95-N398 HydrophobicContact CG-CB 3.78Å; M95-L401 HydrophobicContact CB-CD1 4.4Å; M95-L401 HydrophobicContact CE-CD1 3.35Å; M95-L401 HydrophobicContact CG-CD1 4.09Å
96	L	98.1	Very high	95.7	Very high	10 Å²	10	8.6 Å²	8.6	5%	0.052	4%	0.044	C	C	.	.	H	α-helix	trans	-69.3	-30.8	-178.2	-75.9	166.9	0	0	0	112.8	R92 S93 W118 T126 F127 Y144 L145	R92-L96 VanDerWaalsContact O-CB 3.3Å; R92-L96 WeakPolarHBondContact O-CB 3.46Å; R92-L96 WeakPolarHBondContact O-CD1 3.28Å; R92-L96 WeakPolarHBondContact O-CG 3.48Å; R92-L96 PolarHBondContact O-N 3.04Å; S93-L96 PolarHBondContact O-N 2.94Å; L96-W118 HydrophobicContact CD1-CH2 4.09Å; L96-W118 HydrophobicContact CD1-CZ2 4.35Å; L96-T126 HydrophobicContact CB-CG2 3.81Å; L96-T126 WeakPolarHBondContact O-CA 3.04Å; L96-T126 VanDerWaalsContact O-CB 3.32Å; L96-T126 WeakPolarHBondContact O-CB 3.24Å; L96-F127 HydrophobicContact CD2-CE1 3.91Å; L96-F127 HydrophobicContact CD2-CZ 4.2Å; L96-F127 PolarHBondContact O-N 3.05Å; L96-F127 VanDerWaalsContact O-N 3.15Å; L96-Y144 HydrophobicContact CD1-CD2 4.1Å; L96-Y144 HydrophobicContact CD1-CE2 3.45Å; L96-Y144 VanDerWaalsContact CD1-CE2 3.45Å; L96-Y144 HydrophobicContact CD2-CE2 4.02Å; L96-Y144 HydrophobicContact CG-CE2 4.42Å; L96-L145 HydrophobicContact CD1-CD1 4.35Å; L96-L145 HydrophobicContact CD1-CD2 4.11Å; L96-L145 HydrophobicContact CD1-CG 4.24Å
97	T	97.8	Very high	95.4	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-111.6	-11.7	-171.2	63.6	0	0	0	0	115.1	S93 S94 M95 W118 H122 T126	S93-T97 WeakPolarHBondContact O-CB 3.27Å; S93-T97 WeakPolarHBondContact O-CG2 3.49Å; S93-T97 PolarHBondContact O-N 3Å; S93-T97 VanDerWaalsContact O-N 3.1Å; S93-T97 PolarHBondContact O-OG1 2.94Å; S94-T97 PolarHBondContact O-N 2.67Å; M95-T97 VanDerWaalsContact C-N 3.33Å; M95-T97 PolarHBondContact O-N 3.45Å; T97-W118 HydrophobicContact CG2-CZ2 4.38Å; T97-H122 HydrophobicContact CG2-CB 4.04Å; T97-T126 HydrophobicContact CG2-CG2 4.08Å
98	G	97.8	Very high	95.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	27.7	-175.4	0	0	0	0	0	114.6	S94 I399 M417 D418 G419	S94-G98 WeakPolarHBondContact O-CA 3.49Å; S94-G98 PolarHBondContact O-N 3.06Å; G98-I399 WeakPolarHBondContact CA-O 3.34Å; G98-M417 CarbonylContact O-C 3.59Å; G98-D418 PolarHBondContact O-N 2.75Å; G98-G419 PolarHBondContact O-N 3.29Å
99	K	97.4	Very high	94.9	Very high	18 Å²	18	11.2 Å²	11.2	8%	0.078	6%	0.058	C	C	.	.			trans	-129.2	153.2	-169	-66.7	166.4	-173.2	-79.6	0	113.7	S94 N103 H104 I399 D416 D418	S94-K99 VanDerWaalsContact CA-O 3.24Å; S94-K99 WeakPolarHBondContact CA-O 3.44Å; S94-K99 WeakPolarHBondContact CB-O 3.36Å; S94-K99 PolarHBondContact O-N 3.19Å; S94-K99 PolarHBondContact OG-O 2.88Å; K99-N103 HydrophobicContact CB-CB 4.31Å; K99-H104 PolarHBondContact O-CD2 3.45Å; K99-H104 VanDerWaalsContact O-CD2 3.29Å; K99-I399 VanDerWaalsContact O-CG2 3.29Å; K99-I399 WeakPolarHBondContact O-CG2 3.27Å; K99-D416 VanDerWaalsContact NZ-CG 3.26Å; K99-D416 PolarHBondContact NZ-O 3Å; K99-D416 IonicContact NZ-OD2 3.32Å; K99-D416 PolarHBondContact NZ-OD2 3.16Å; K99-D418 VanDerWaalsContact CA-OD2 3.25Å; K99-D418 WeakPolarHBondContact CA-OD2 3.43Å
100	Y	97.1	Very high	94.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.			trans	-70	162.2	168.6	-80.6	-80.1	0	0	0	113.2	T84 H102 N103 H104 I399 D418 L449 C861	T84-Y100 HydrophobicContact CG2-CD1 3.83Å; T84-Y100 HydrophobicContact CG2-CE1 3.27Å; Y100-H102 WeakPolarHBondContact CB-CE1 3.43Å; Y100-H102 AromaticContact CG-CE1 3.76Å; Y100-H102 PolarHBondContact O-N 3.43Å; Y100-N103 WeakPolarHBondContact O-CA 3.35Å; Y100-N103 PolarHBondContact O-N 3.4Å; Y100-H104 PolarHBondContact O-CD2 3.47Å; Y100-H104 PolarHBondContact O-N 2.86Å; Y100-I399 HydrophobicContact CD2-CD1 3.99Å; Y100-I399 HydrophobicContact CE1-CD1 4.38Å; Y100-I399 HydrophobicContact CE2-CD1 3.39Å; Y100-D418 HydrophobicContact CD2-CB 3.65Å; Y100-D418 HydrophobicContact CE2-CB 4.12Å; Y100-D418 PolarHBondContact N-OD2 2.74Å; Y100-L449 HydrophobicContact CD1-CB 4.41Å; Y100-L449 HydrophobicContact CD1-CD2 4.06Å; Y100-L449 HydrophobicContact CE1-CB 3.73Å; Y100-L449 HydrophobicContact CE1-CD2 4.22Å; Y100-L449 HydrophobicContact CE1-CG 4.27Å; Y100-L449 WeakPolarHBondContact CE1-O 3.08Å; Y100-C861 HydrophobicContact CD2-CB 4.35Å; Y100-C861 HydrophobicContact CE2-CB 3.91Å
101	V	94.8	Very high	93.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-67.3	-37.3	-175.2	-172.2	0	0	0	0	111.8	T85 P90 N103 N105 T106 Y107 E451	T85-V101 HydrophobicContact CG2-CG2 3.52Å; P90-V101 HydrophobicContact CB-CG2 4.39Å; V101-N103 PolarHBondContact O-N 3.15Å; V101-N105 VanDerWaalsContact O-CA 3.26Å; V101-N105 WeakPolarHBondContact O-CA 3.42Å; V101-N105 PolarHBondContact O-N 3.48Å; V101-T106 WeakPolarHBondContact CG1-O 3.34Å; V101-Y107 HydrophobicContact CG1-CD1 3.62Å; V101-Y107 HydrophobicContact CG1-CE1 4.05Å; V101-Y107 HydrophobicContact CG1-CG 4.32Å; V101-E451 WeakPolarHBondContact CA-OE1 3.49Å; V101-E451 HydrophobicContact CB-CG 3.92Å; V101-E451 WeakPolarHBondContact CB-OE1 3.17Å; V101-E451 HydrophobicContact CG2-CG 4.04Å; V101-E451 PolarHBondContact N-OE1 3.4Å
102	H	93.9	Very high	93	Very high	17 Å²	17	23.3 Å²	23.3	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-23.5	172.1	62.5	-91.4	0	0	0	113.2	Y100 N105 E451 L455 C855	Y100-H102 WeakPolarHBondContact CB-CE1 3.43Å; Y100-H102 AromaticContact CG-CE1 3.76Å; Y100-H102 PolarHBondContact O-N 3.43Å; H102-N105 PolarHBondContact O-ND2 3.4Å; H102-N105 VanDerWaalsContact O-ND2 3.15Å; H102-E451 IonicContact CE1-OE1 2.65Å; H102-E451 IonicContact CG-OE1 2.93Å; H102-E451 IonicContact CG-OE2 2.7Å; H102-E451 PolarHBondContact N-OE1 2.92Å; H102-E451 IonicContact ND1-OE1 3.82Å; H102-E451 PolarHBondContact ND1-OE1 3.47Å; H102-E451 IonicContact ND1-OE2 2.79Å; H102-L455 HydrophobicContact CB-CD1 3.84Å; H102-C855 PolarHBondContact NE2-O 3.41Å; H102-C855 VanDerWaalsContact NE2-O 3.08Å
103	N	94.6	Very high	92.5	Very high	27 Å²	27	23.4 Å²	23.4	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-92.1	-35.8	179.5	-73.6	-30	0	0	0	114	K99 Y100 V101 N105 D418 C855 K856	K99-N103 HydrophobicContact CB-CB 4.31Å; Y100-N103 WeakPolarHBondContact O-CA 3.35Å; Y100-N103 PolarHBondContact O-N 3.4Å; V101-N103 PolarHBondContact O-N 3.15Å; N103-N105 PolarHBondContact O-ND2 3.42Å; N103-D418 PolarHBondContact ND2-OD1 3.41Å; N103-D418 PolarHBondContact ND2-OD2 3.34Å; N103-C855 PolarHBondContact ND2-O 3.44Å; N103-K856 VanDerWaalsContact OD1-CE 3.26Å; N103-K856 WeakPolarHBondContact OD1-CE 3.24Å
104	H	93.7	Very high	92.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-97.4	-3.6	173.6	70	70.5	0	0	0	114.9	P90 S93 S94 K99 Y100 T106 N112 H122	P90-H104 PolarHBondContact O-CE1 2.94Å; S93-H104 VanDerWaalsContact CB-CE1 3.4Å; S93-H104 WeakPolarHBondContact CB-CE1 3.43Å; S94-H104 PolarHBondContact N-NE2 3.11Å; S94-H104 PolarHBondContact OG-NE2 3.01Å; K99-H104 PolarHBondContact O-CD2 3.45Å; K99-H104 VanDerWaalsContact O-CD2 3.29Å; Y100-H104 PolarHBondContact O-CD2 3.47Å; Y100-H104 PolarHBondContact O-N 2.86Å; H104-T106 VanDerWaalsContact ND1-CB 3.32Å; H104-T106 WeakPolarHBondContact ND1-CB 3.33Å; H104-T106 PolarHBondContact ND1-N 2.99Å; H104-T106 PolarHBondContact ND1-OG1 3.15Å; H104-T106 VanDerWaalsContact ND1-OG1 3.17Å; H104-T106 PolarHBondContact O-N 3.26Å; H104-T106 VanDerWaalsContact O-N 3.11Å; H104-N112 PolarHBondContact O-ND2 2.96Å; H104-H122 PolarHBondContact O-NE2 2.94Å
105	N	92.2	Very high	91.9	Very high	64 Å²	64	25.6 Å²	25.6	34%	0.342	14%	0.136	S	C	.	.			trans	55.5	29.8	171.6	-69.9	-93.2	0	0	0	115.1	V101 H102 N103 Y107 N112	V101-N105 VanDerWaalsContact O-CA 3.26Å; V101-N105 WeakPolarHBondContact O-CA 3.42Å; V101-N105 PolarHBondContact O-N 3.48Å; H102-N105 PolarHBondContact O-ND2 3.4Å; H102-N105 VanDerWaalsContact O-ND2 3.15Å; N103-N105 PolarHBondContact O-ND2 3.42Å; N105-Y107 HydrophobicContact CB-CE2 3.86Å; N105-Y107 WeakPolarHBondContact O-CD2 3.46Å; N105-Y107 PolarHBondContact OD1-OH 2.98Å; N105-N112 VanDerWaalsContact O-CB 3.31Å; N105-N112 WeakPolarHBondContact O-CB 3.34Å; N105-N112 PolarHBondContact O-ND2 2.95Å
106	T	92.1	Very high	91.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.			trans	-101.5	82.7	175	-49.4	0	0	0	0	109.5	P90 S93 V101 H104 C113 W118	P90-T106 WeakPolarHBondContact CA-O 3.23Å; P90-T106 WeakPolarHBondContact CB-O 3.3Å; P90-T106 VanDerWaalsContact CG-O 3.22Å; P90-T106 WeakPolarHBondContact CG-O 3.32Å; S93-T106 PolarHBondContact OG-OG1 3.16Å; V101-T106 WeakPolarHBondContact CG1-O 3.34Å; H104-T106 VanDerWaalsContact ND1-CB 3.32Å; H104-T106 WeakPolarHBondContact ND1-CB 3.33Å; H104-T106 PolarHBondContact ND1-N 2.99Å; H104-T106 PolarHBondContact ND1-OG1 3.15Å; H104-T106 VanDerWaalsContact ND1-OG1 3.17Å; H104-T106 PolarHBondContact O-N 3.26Å; H104-T106 VanDerWaalsContact O-N 3.11Å; T106-C113 HydrophobicContact CG2-CB 3.95Å; T106-W118 VanDerWaalsContact OG1-CD1 3.3Å
107	Y	88.8	Confident	91.3	Very high	26 Å²	26	32.9 Å²	32.9	10%	0.102	18%	0.179	C	C	.	.			trans	-83.6	-18.2	-169.3	-58.7	-76.6	0	0	0	115.1	V101 N105 G453 K454 L455	V101-Y107 HydrophobicContact CG1-CD1 3.62Å; V101-Y107 HydrophobicContact CG1-CE1 4.05Å; V101-Y107 HydrophobicContact CG1-CG 4.32Å; N105-Y107 HydrophobicContact CB-CE2 3.86Å; N105-Y107 WeakPolarHBondContact O-CD2 3.46Å; N105-Y107 PolarHBondContact OD1-OH 2.98Å; Y107-G453 WeakPolarHBondContact CD1-O 3.5Å; Y107-K454 HydrophobicContact CD1-CG 4.38Å; Y107-K454 HydrophobicContact CD2-CG 3.91Å; Y107-K454 HydrophobicContact CE2-CG 4.47Å; Y107-K454 HydrophobicContact CG-CG 3.85Å; Y107-L455 HydrophobicContact CE1-CD1 4.42Å
108	T	88.7	Confident	91.1	Very high	37 Å²	37	32.9 Å²	32.9	23%	0.227	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-151.1	162.9	178.2	75.2	0	0	0	0	112	N110 E111	T108-N110 PolarHBondContact O-N 3.22Å; T108-N110 PolarHBondContact OG1-N 3.2Å; T108-E111 PolarHBondContact O-N 3.45Å; T108-E111 WeakPolarHBondContact OG1-CB 3.38Å; T108-E111 PolarHBondContact OG1-N 3.34Å
109	N	87.9	Confident	91	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.112	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-7	173.6	-65.7	6.4	0	0	0	114.9	M87 C89 P90 N146	M87-N109 HydrophobicContact CE-CB 4.36Å; M87-N109 WeakPolarHBondContact CE-OD1 3.39Å; C89-N109 HydrophobicContact CB-CB 4.39Å; C89-N109 WeakPolarHBondContact CB-OD1 3.34Å; C89-N109 PolarHBondContact N-OD1 2.86Å; P90-N109 VanDerWaalsContact CD-OD1 3.25Å; P90-N109 WeakPolarHBondContact CD-OD1 3.09Å; N109-N146 HydrophobicContact CB-CB 4.07Å; N109-N146 PolarHBondContact ND2-OD1 2.79Å
110	N	84.2	Confident	90.8	Very high	129 Å²	129	43.2 Å²	43.2	69%	0.69	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-4.9	-178.6	-65.7	-95.1	0	0	0	113.6	T108	T108-N110 PolarHBondContact O-N 3.22Å; T108-N110 PolarHBondContact OG1-N 3.2Å
111	E	78.2	Confident	90.6	Very high	92 Å²	92	48.2 Å²	48.2	43%	0.43	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-135.3	126.7	-171.2	-171.5	164.4	-168	0	0	112.1	T108 C113 K454	T108-E111 PolarHBondContact O-N 3.45Å; T108-E111 WeakPolarHBondContact OG1-CB 3.38Å; T108-E111 PolarHBondContact OG1-N 3.34Å; E111-C113 PolarHBondContact O-N 3.07Å; E111-K454 IonicContact OE1-NZ 3.61Å; E111-K454 PolarHBondContact OE1-NZ 3.32Å; E111-K454 WeakPolarHBondContact OE2-CE 3.39Å; E111-K454 IonicContact OE2-NZ 2.82Å; E111-K454 PolarHBondContact OE2-NZ 2.95Å
112	N	84.2	Confident	90.7	Very high	32 Å²	32	49.2 Å²	49.2	17%	0.171	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	59.3	-27.9	-165.4	-159.5	19.8	0	0	0	115.4	H104 N105 S114 S115 W118	H104-N112 PolarHBondContact O-ND2 2.96Å; N105-N112 VanDerWaalsContact O-CB 3.31Å; N105-N112 WeakPolarHBondContact O-CB 3.34Å; N105-N112 PolarHBondContact O-ND2 2.95Å; N112-S114 PolarHBondContact O-N 2.86Å; N112-S115 WeakPolarHBondContact O-CB 3.29Å; N112-S115 PolarHBondContact O-N 3.15Å; N112-S115 PolarHBondContact O-OG 3.27Å; N112-S115 PolarHBondContact OD1-OG 2.91Å; N112-W118 WeakPolarHBondContact O-CB 3.49Å
113	C	88.4	Confident	90.8	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.054	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	126.5	171	-176.6	0	0	0	0	112.6	C89 T106 E111 S115 N146	C89-C113 HydrophobicContact CB-CB 3.92Å; C89-C113 WeakPolarHBondContact CB-SG 3.33Å; C89-C113 VanDerWaalsContact SG-CA 3.57Å; C89-C113 WeakPolarHBondContact SG-CB 3.48Å; C89-C113 CovalentContact SG-SG 2.02Å; C89-C113 PolarHBondContact SG-SG 2.91Å; T106-C113 HydrophobicContact CG2-CB 3.95Å; E111-C113 PolarHBondContact O-N 3.07Å; C113-S115 PolarHBondContact O-N 2.83Å; C113-N146 PolarHBondContact SG-O 3.37Å
114	S	90.8	Very high	90.8	Very high	11 Å²	11	50.4 Å²	50.4	8%	0.077	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	17	-174.7	-61.6	0	0	0	0	115.9	N112 Q119 L145 N146 Y148	N112-S114 PolarHBondContact O-N 2.86Å; S114-Q119 PolarHBondContact O-NE2 3.27Å; S114-L145 VanDerWaalsContact OG-CB 3.27Å; S114-L145 WeakPolarHBondContact OG-CB 3.3Å; S114-N146 VanDerWaalsContact CB-O 3.25Å; S114-N146 WeakPolarHBondContact CB-O 3.16Å; S114-N146 PolarHBondContact OG-O 3.34Å; S114-Y148 PolarHBondContact OG-N 3.04Å
115	S	91.6	Very high	90.9	Very high	35 Å²	35	56.2 Å²	56.2	25%	0.245	28%	0.279	C	S	.	.			trans	-80.4	161.9	-169.7	86	0	0	0	0	113	N112 C113 S117 W118 Q119	N112-S115 WeakPolarHBondContact O-CB 3.29Å; N112-S115 PolarHBondContact O-N 3.15Å; N112-S115 PolarHBondContact O-OG 3.27Å; N112-S115 PolarHBondContact OD1-OG 2.91Å; C113-S115 PolarHBondContact O-N 2.83Å; S115-S117 PolarHBondContact O-N 2.91Å; S115-S117 PolarHBondContact OG-N 3.39Å; S115-S117 VanDerWaalsContact OG-N 3.14Å; S115-W118 PolarHBondContact O-N 3.38Å; S115-W118 PolarHBondContact OG-N 3Å; S115-Q119 WeakPolarHBondContact O-CB 3.39Å; S115-Q119 VanDerWaalsContact O-CG 3.27Å; S115-Q119 WeakPolarHBondContact O-CG 3.41Å; S115-Q119 PolarHBondContact O-N 2.91Å
116	L	91.4	Very high	91.2	Very high	118 Å²	118	53.1 Å²	53.1	62%	0.618	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.1	171.9	-65.3	174.4	0	0	0	114.1	R120	L116-R120 WeakPolarHBondContact O-CD 3.09Å; L116-R120 VanDerWaalsContact O-CG 3.23Å; L116-R120 WeakPolarHBondContact O-CG 3.24Å
117	S	91.8	Very high	91.5	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-51.5	170.8	-147.4	0	0	0	0	110.1	S115 Q119 R120 Q121	S115-S117 PolarHBondContact O-N 2.91Å; S115-S117 PolarHBondContact OG-N 3.39Å; S115-S117 VanDerWaalsContact OG-N 3.14Å; S117-Q119 PolarHBondContact O-N 2.7Å; S117-R120 PolarHBondContact O-N 3.46Å; S117-Q121 WeakPolarHBondContact O-CB 3.17Å; S117-Q121 WeakPolarHBondContact O-CG 3.12Å; S117-Q121 PolarHBondContact O-N 3.08Å; S117-Q121 PolarHBondContact O-OE1 3.29Å; S117-Q121 PolarHBondContact OG-OE1 2.95Å
118	W	94.1	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-44.4	178.4	-167.7	95.4	0	0	0	112.3	S93 L96 T97 T106 N112 S115 R120 Q121 H122 E123 T126 Y144 L145	S93-W118 PolarHBondContact OG-NE1 3.33Å; L96-W118 HydrophobicContact CD1-CH2 4.09Å; L96-W118 HydrophobicContact CD1-CZ2 4.35Å; T97-W118 HydrophobicContact CG2-CZ2 4.38Å; T106-W118 VanDerWaalsContact OG1-CD1 3.3Å; N112-W118 WeakPolarHBondContact O-CB 3.49Å; S115-W118 PolarHBondContact O-N 3.38Å; S115-W118 PolarHBondContact OG-N 3Å; W118-R120 PolarHBondContact O-N 3.27Å; W118-R120 VanDerWaalsContact O-N 3.13Å; W118-Q121 PolarHBondContact O-N 3.18Å; W118-H122 AromaticContact CD1-CD2 3.68Å; W118-H122 HydrophobicContact CD2-CB 4.09Å; W118-H122 HydrophobicContact CG-CB 4.13Å; W118-H122 HydrophobicContact CZ2-CB 4.26Å; W118-H122 PolarHBondContact O-N 3.18Å; W118-E123 HydrophobicContact CE3-CB 3.91Å; W118-E123 HydrophobicContact CH2-CB 4.16Å; W118-E123 HydrophobicContact CH2-CG 4.38Å; W118-E123 HydrophobicContact CZ3-CB 3.49Å; W118-E123 VanDerWaalsContact CZ3-CB 3.49Å; W118-E123 HydrophobicContact CZ3-CG 3.74Å; W118-E123 PolarHBondContact O-N 3.42Å; W118-T126 HydrophobicContact CH2-CG2 4.16Å; W118-Y144 HydrophobicContact CH2-CE1 4.47Å; W118-Y144 WeakPolarHBondContact CH2-OH 3.31Å; W118-Y144 HydrophobicContact CZ3-CE1 4.17Å; W118-Y144 WeakPolarHBondContact CZ3-OH 3.37Å; W118-L145 HydrophobicContact CD2-CD1 4.19Å; W118-L145 HydrophobicContact CE3-CD1 3.99Å; W118-L145 HydrophobicContact CH2-CD1 3.54Å; W118-L145 HydrophobicContact CZ2-CD1 3.72Å; W118-L145 HydrophobicContact CZ3-CD1 3.65Å
119	Q	94.9	Very high	92.3	Very high	42 Å²	42	51 Å²	51	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-25.1	173.2	-71.2	173.6	20.4	0	0	114	S114 S115 S117 P124 Y152	S114-Q119 PolarHBondContact O-NE2 3.27Å; S115-Q119 WeakPolarHBondContact O-CB 3.39Å; S115-Q119 VanDerWaalsContact O-CG 3.27Å; S115-Q119 WeakPolarHBondContact O-CG 3.41Å; S115-Q119 PolarHBondContact O-N 2.91Å; S117-Q119 PolarHBondContact O-N 2.7Å; Q119-P124 WeakPolarHBondContact O-CD 3.17Å; Q119-Y152 HydrophobicContact CG-CE2 4.28Å; Q119-Y152 WeakPolarHBondContact CG-OH 3.42Å; Q119-Y152 PolarHBondContact NE2-OH 2.85Å
120	R	93.7	Very high	92.7	Very high	194 Å²	194	52.8 Å²	52.8	73%	0.732	26%	0.257	S	S	*	.	H	α-helix	trans	-100.8	-26	-178.4	-68.5	177.2	-177.9	-174.1	-4.2	113.7	L116 S117 W118	L116-R120 WeakPolarHBondContact O-CD 3.09Å; L116-R120 VanDerWaalsContact O-CG 3.23Å; L116-R120 WeakPolarHBondContact O-CG 3.24Å; S117-R120 PolarHBondContact O-N 3.46Å; W118-R120 PolarHBondContact O-N 3.27Å; W118-R120 VanDerWaalsContact O-N 3.13Å
121	Q	93.4	Very high	93.3	Very high	104 Å²	104	46.6 Å²	46.6	49%	0.486	22%	0.224	S	C	.	.	H	α-helix	trans	-107.2	-33.2	-170.6	-67.8	171.8	-45.7	0	0	113	S117 W118	S117-Q121 WeakPolarHBondContact O-CB 3.17Å; S117-Q121 WeakPolarHBondContact O-CG 3.12Å; S117-Q121 PolarHBondContact O-N 3.08Å; S117-Q121 PolarHBondContact O-OE1 3.29Å; S117-Q121 PolarHBondContact OG-OE1 2.95Å; W118-Q121 PolarHBondContact O-N 3.18Å
122	H	95.4	Very high	94.2	Very high	23 Å²	23	43.9 Å²	43.9	11%	0.106	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-44.2	-168.9	-64.2	-53.2	0	0	0	112.5	T97 H104 W118 P124 R125 T126	T97-H122 HydrophobicContact CG2-CB 4.04Å; H104-H122 PolarHBondContact O-NE2 2.94Å; W118-H122 AromaticContact CD1-CD2 3.68Å; W118-H122 HydrophobicContact CD2-CB 4.09Å; W118-H122 HydrophobicContact CG-CB 4.13Å; W118-H122 HydrophobicContact CZ2-CB 4.26Å; W118-H122 PolarHBondContact O-N 3.18Å; H122-P124 VanDerWaalsContact C-CD 3.48Å; H122-R125 CarbonylContact O-C 3.54Å; H122-R125 WeakPolarHBondContact O-CA 3.46Å; H122-R125 PolarHBondContact O-N 3.4Å; H122-T126 PolarHBondContact O-N 3.04Å
123	E	95.7	Very high	94.8	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.047	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.4	-44.2	177.3	-163.6	-178.5	106.5	0	0	113.8	W118 R125 T126 V129 Y152 P154 A155	W118-E123 HydrophobicContact CE3-CB 3.91Å; W118-E123 HydrophobicContact CH2-CB 4.16Å; W118-E123 HydrophobicContact CH2-CG 4.38Å; W118-E123 HydrophobicContact CZ3-CB 3.49Å; W118-E123 VanDerWaalsContact CZ3-CB 3.49Å; W118-E123 HydrophobicContact CZ3-CG 3.74Å; W118-E123 PolarHBondContact O-N 3.42Å; E123-R125 PolarHBondContact O-N 3.1Å; E123-R125 VanDerWaalsContact O-N 3.07Å; E123-T126 WeakPolarHBondContact O-CG2 3.32Å; E123-T126 PolarHBondContact O-N 2.74Å; E123-T126 PolarHBondContact O-OG1 3.12Å; E123-V129 WeakPolarHBondContact O-CG2 3.13Å; E123-Y152 PolarHBondContact OE2-OH 3.38Å; E123-P154 HydrophobicContact CG-CB 4.16Å; E123-P154 VanDerWaalsContact OE1-CA 3.25Å; E123-P154 WeakPolarHBondContact OE1-CA 3.41Å; E123-A155 HydrophobicContact CG-CB 4.27Å; E123-A155 PolarHBondContact OE1-N 3.31Å
124	P	96.4	Very high	95	Very high	59 Å²	59	49.9 Å²	49.9	38%	0.383	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-70.3	-2.3	177.9	-17.5	34.1	0	0	0	114.5	Q119 H122	Q119-P124 WeakPolarHBondContact O-CD 3.17Å; H122-P124 VanDerWaalsContact C-CD 3.48Å
125	R	95.7	Very high	95.1	Very high	122 Å²	122	50.5 Å²	50.5	46%	0.46	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-121.7	23.8	179.8	-60.1	-173.3	-178.8	-158	0.2	112.1	H122 E123 Y130 D416	H122-R125 CarbonylContact O-C 3.54Å; H122-R125 WeakPolarHBondContact O-CA 3.46Å; H122-R125 PolarHBondContact O-N 3.4Å; E123-R125 PolarHBondContact O-N 3.1Å; E123-R125 VanDerWaalsContact O-N 3.07Å; R125-Y130 VanDerWaalsContact O-CE2 3.31Å; R125-Y130 WeakPolarHBondContact O-CE2 3.39Å; R125-D416 IonicContact NH1-OD2 3.03Å; R125-D416 PolarHBondContact NH1-OD2 3.47Å
126	T	97.5	Very high	95.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-86.9	156.7	176	57.8	0	0	0	0	111.8	L96 T97 W118 H122 E123 G128 V129 Y130	L96-T126 HydrophobicContact CB-CG2 3.81Å; L96-T126 WeakPolarHBondContact O-CA 3.04Å; L96-T126 VanDerWaalsContact O-CB 3.32Å; L96-T126 WeakPolarHBondContact O-CB 3.24Å; T97-T126 HydrophobicContact CG2-CG2 4.08Å; W118-T126 HydrophobicContact CH2-CG2 4.16Å; H122-T126 PolarHBondContact O-N 3.04Å; E123-T126 WeakPolarHBondContact O-CG2 3.32Å; E123-T126 PolarHBondContact O-N 2.74Å; E123-T126 PolarHBondContact O-OG1 3.12Å; T126-G128 PolarHBondContact O-N 3.43Å; T126-G128 VanDerWaalsContact O-N 3.16Å; T126-V129 PolarHBondContact O-N 2.79Å; T126-Y130 VanDerWaalsContact O-CD2 3.28Å; T126-Y130 WeakPolarHBondContact O-CD2 3.25Å; T126-Y130 PolarHBondContact O-N 2.82Å
127	F	97.7	Very high	95.6	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-33.7	-179.9	66.7	-104.3	0	0	0	113.2	L48 L96 V129 Y130 L131 W157 L217 V219 A402 I405	L48-F127 HydrophobicContact CD2-CZ 4.1Å; L96-F127 HydrophobicContact CD2-CE1 3.91Å; L96-F127 HydrophobicContact CD2-CZ 4.2Å; L96-F127 PolarHBondContact O-N 3.05Å; L96-F127 VanDerWaalsContact O-N 3.15Å; F127-V129 VanDerWaalsContact C-N 3.35Å; F127-V129 PolarHBondContact O-N 3.49Å; F127-Y130 PolarHBondContact O-N 3.01Å; F127-L131 WeakPolarHBondContact O-CD1 3.19Å; F127-L131 PolarHBondContact O-N 3.4Å; F127-W157 AromaticContact CE2-CH2 3.9Å; F127-W157 HydrophobicContact CE2-CH2 3.9Å; F127-W157 HydrophobicContact CE2-CZ2 4.48Å; F127-L217 HydrophobicContact CD2-CD2 4.14Å; F127-L217 HydrophobicContact CE2-CD1 4.44Å; F127-L217 HydrophobicContact CE2-CD2 4.24Å; F127-V219 HydrophobicContact CE2-CG2 4.09Å; F127-V219 HydrophobicContact CZ-CG2 4.22Å; F127-A402 HydrophobicContact CB-CB 4.3Å; F127-A402 HydrophobicContact CD1-CB 4.13Å; F127-I405 HydrophobicContact CB-CG2 4.25Å; F127-I405 HydrophobicContact CD1-CD1 4.38Å; F127-I405 HydrophobicContact CD2-CD1 4.02Å; F127-I405 HydrophobicContact CD2-CG2 3.83Å; F127-I405 HydrophobicContact CE1-CD1 4.26Å; F127-I405 HydrophobicContact CE2-CD1 3.9Å; F127-I405 HydrophobicContact CG-CD1 4.28Å; F127-I405 HydrophobicContact CG-CG2 4.26Å; F127-I405 HydrophobicContact CZ-CD1 4.03Å
128	G	97.3	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-39	174.9	0	0	0	0	0	113.5	T126 N132	T126-G128 PolarHBondContact O-N 3.43Å; T126-G128 VanDerWaalsContact O-N 3.16Å; G128-N132 VanDerWaalsContact O-CB 3.26Å; G128-N132 WeakPolarHBondContact O-CB 3.45Å; G128-N132 PolarHBondContact O-N 3.28Å
129	V	97.6	Very high	96.1	Very high	15 Å²	15	42.2 Å²	42.2	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-48.3	176.2	178.1	0	0	0	0	110.9	E123 T126 F127 L131 N132 N133 A155	E123-V129 WeakPolarHBondContact O-CG2 3.13Å; T126-V129 PolarHBondContact O-N 2.79Å; F127-V129 VanDerWaalsContact C-N 3.35Å; F127-V129 PolarHBondContact O-N 3.49Å; V129-L131 PolarHBondContact O-N 3.21Å; V129-N132 PolarHBondContact O-N 3.34Å; V129-N133 WeakPolarHBondContact O-CB 3.35Å; V129-N133 PolarHBondContact O-N 2.94Å; V129-N133 PolarHBondContact O-ND2 2.85Å; V129-N133 PolarHBondContact O-OD1 3.1Å; V129-A155 VanDerWaalsContact CG2-C 3.47Å; V129-A155 HydrophobicContact CG2-CB 3.73Å; V129-A155 VanDerWaalsContact CG2-O 3.29Å; V129-A155 WeakPolarHBondContact CG2-O 3.43Å
130	Y	97.6	Very high	96.2	Very high	58 Å²	58	40.6 Å²	40.6	23%	0.227	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-43.7	179.7	-66.9	-63.7	0	0	0	112	R125 T126 F127 T134 L406 P414 M417	R125-Y130 VanDerWaalsContact O-CE2 3.31Å; R125-Y130 WeakPolarHBondContact O-CE2 3.39Å; T126-Y130 VanDerWaalsContact O-CD2 3.28Å; T126-Y130 WeakPolarHBondContact O-CD2 3.25Å; T126-Y130 PolarHBondContact O-N 2.82Å; F127-Y130 PolarHBondContact O-N 3.01Å; Y130-T134 WeakPolarHBondContact O-CG2 3.35Å; Y130-T134 PolarHBondContact O-N 2.85Å; Y130-T134 PolarHBondContact O-OG1 2.73Å; Y130-L406 VanDerWaalsContact CB-CD2 3.43Å; Y130-L406 HydrophobicContact CD2-CD1 4.37Å; Y130-L406 HydrophobicContact CD2-CD2 3.98Å; Y130-L406 HydrophobicContact CG-CD2 3.94Å; Y130-P414 HydrophobicContact CE1-CG 4.2Å; Y130-P414 HydrophobicContact CE2-CG 4.08Å; Y130-M417 HydrophobicContact CD2-CE 4.31Å; Y130-M417 HydrophobicContact CE2-CE 3.81Å
131	L	97	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-71.1	-41.1	178.3	-90.9	69.2	0	0	0	112.6	I46 F127 V129 N133 T134 G135 Y136 T138 L217 I405 L406 A409 L411	I46-L131 HydrophobicContact CD1-CD2 3.79Å; F127-L131 WeakPolarHBondContact O-CD1 3.19Å; F127-L131 PolarHBondContact O-N 3.4Å; V129-L131 PolarHBondContact O-N 3.21Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 2.66Å; L131-T134 PolarHBondContact O-N 3.48Å; L131-T134 VanDerWaalsContact O-N 3.1Å; L131-T134 PolarHBondContact O-OG1 3.25Å; L131-T134 VanDerWaalsContact O-OG1 3.09Å; L131-G135 PolarHBondContact O-N 3.31Å; L131-Y136 HydrophobicContact CB-CD2 4.04Å; L131-Y136 HydrophobicContact CB-CG 4.03Å; L131-Y136 HydrophobicContact CD2-CD1 4.02Å; L131-Y136 HydrophobicContact CD2-CD2 4.17Å; L131-Y136 HydrophobicContact CD2-CE1 4.04Å; L131-Y136 HydrophobicContact CD2-CE2 4.21Å; L131-Y136 HydrophobicContact CD2-CG 4.11Å; L131-Y136 HydrophobicContact CG-CD2 3.9Å; L131-Y136 HydrophobicContact CG-CE2 4.14Å; L131-Y136 HydrophobicContact CG-CG 4.16Å; L131-Y136 WeakPolarHBondContact O-CB 3.32Å; L131-Y136 PolarHBondContact O-N 3.4Å; L131-T138 HydrophobicContact CB-CG2 4.37Å; L131-L217 HydrophobicContact CB-CD2 4.07Å; L131-L217 HydrophobicContact CD2-CB 4.15Å; L131-L217 HydrophobicContact CD2-CD1 4.06Å; L131-L217 HydrophobicContact CD2-CD2 3.92Å; L131-L217 HydrophobicContact CD2-CG 4.25Å; L131-I405 HydrophobicContact CD1-CG2 4.04Å; L131-I405 HydrophobicContact CD2-CG2 3.72Å; L131-L406 HydrophobicContact CD1-CD2 3.68Å; L131-A409 HydrophobicContact CD1-CB 3.98Å; L131-A409 HydrophobicContact CD2-CB 4.1Å; L131-A409 HydrophobicContact CG-CB 3.89Å; L131-L411 HydrophobicContact CD1-CD1 3.91Å
132	N	96.8	Very high	96.6	Very high	34 Å²	34	26.5 Å²	26.5	18%	0.182	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-38.5	175.8	173.9	58.1	0	0	0	112.6	G128 V129 T134 G135 T138 G156 R158	G128-N132 VanDerWaalsContact O-CB 3.26Å; G128-N132 WeakPolarHBondContact O-CB 3.45Å; G128-N132 PolarHBondContact O-N 3.28Å; V129-N132 PolarHBondContact O-N 3.34Å; N132-T134 PolarHBondContact O-N 2.75Å; N132-G135 PolarHBondContact O-N 2.88Å; N132-T138 HydrophobicContact CB-CG2 3.76Å; N132-G156 WeakPolarHBondContact CB-O 3.32Å; N132-R158 VanDerWaalsContact OD1-CZ 3.29Å; N132-R158 PolarHBondContact OD1-NE 2.97Å; N132-R158 PolarHBondContact OD1-NH2 3.38Å
133	N	95.8	Very high	96.7	Very high	117 Å²	117	25.6 Å²	25.6	63%	0.626	13%	0.132	S	C	*	.	H	α-helix	trans	-68	-22.7	178.8	-68.7	-6.7	0	0	0	112.9	V129 L131	V129-N133 WeakPolarHBondContact O-CB 3.35Å; V129-N133 PolarHBondContact O-N 2.94Å; V129-N133 PolarHBondContact O-ND2 2.85Å; V129-N133 PolarHBondContact O-OD1 3.1Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 2.66Å
134	T	93.3	Very high	96.7	Very high	49 Å²	49	25.2 Å²	25.2	30%	0.301	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.6	179.9	62.3	0	0	0	0	114.4	R43 Y130 L131 N132 L411	R43-T134 PolarHBondContact NH1-O 3.27Å; Y130-T134 WeakPolarHBondContact O-CG2 3.35Å; Y130-T134 PolarHBondContact O-N 2.85Å; Y130-T134 PolarHBondContact O-OG1 2.73Å; L131-T134 PolarHBondContact O-N 3.48Å; L131-T134 VanDerWaalsContact O-N 3.1Å; L131-T134 PolarHBondContact O-OG1 3.25Å; L131-T134 VanDerWaalsContact O-OG1 3.09Å; N132-T134 PolarHBondContact O-N 2.75Å; T134-L411 HydrophobicContact CG2-CD1 4Å; T134-L411 HydrophobicContact CG2-CD2 3.59Å; T134-L411 HydrophobicContact CG2-CG 4.48Å
135	G	92.3	Very high	96.6	Very high	24 Å²	24	22.5 Å²	22.5	25%	0.247	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	-2.5	169	0	0	0	0	0	115.7	L131 N132	L131-G135 PolarHBondContact O-N 3.31Å; N132-G135 PolarHBondContact O-N 2.88Å
136	Y	96.5	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.			trans	-59	146.7	175	-85.8	-104.7	0	0	0	111.9	P44 I46 L131 T138 R158 P215 L217 A409	P44-Y136 WeakPolarHBondContact O-CE1 3.39Å; P44-Y136 PolarHBondContact O-OH 2.85Å; I46-Y136 HydrophobicContact CD1-CE1 4.37Å; I46-Y136 HydrophobicContact CG1-CE1 4.35Å; L131-Y136 HydrophobicContact CB-CD2 4.04Å; L131-Y136 HydrophobicContact CB-CG 4.03Å; L131-Y136 HydrophobicContact CD2-CD1 4.02Å; L131-Y136 HydrophobicContact CD2-CD2 4.17Å; L131-Y136 HydrophobicContact CD2-CE1 4.04Å; L131-Y136 HydrophobicContact CD2-CE2 4.21Å; L131-Y136 HydrophobicContact CD2-CG 4.11Å; L131-Y136 HydrophobicContact CG-CD2 3.9Å; L131-Y136 HydrophobicContact CG-CE2 4.14Å; L131-Y136 HydrophobicContact CG-CG 4.16Å; L131-Y136 WeakPolarHBondContact O-CB 3.32Å; L131-Y136 PolarHBondContact O-N 3.4Å; Y136-T138 PolarHBondContact O-N 3.03Å; Y136-R158 PolarHBondContact O-NE 3.39Å; Y136-P215 WeakPolarHBondContact CA-O 3.15Å; Y136-P215 HydrophobicContact CD1-CB 3.81Å; Y136-P215 HydrophobicContact CD1-CG 3.76Å; Y136-P215 HydrophobicContact CD2-CG 3.92Å; Y136-P215 HydrophobicContact CE1-CB 3.46Å; Y136-P215 VanDerWaalsContact CE1-CB 3.46Å; Y136-P215 HydrophobicContact CE1-CG 3.68Å; Y136-P215 HydrophobicContact CE2-CB 4.43Å; Y136-P215 HydrophobicContact CE2-CG 3.82Å; Y136-P215 HydrophobicContact CG-CB 4.43Å; Y136-P215 HydrophobicContact CG-CG 3.86Å; Y136-L217 HydrophobicContact CD1-CB 3.99Å; Y136-A409 HydrophobicContact CE2-CB 3.59Å
137	R	96.9	Very high	96.1	Very high	33 Å²	33	21.6 Å²	21.6	13%	0.125	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	97.9	163.8	-80.8	-158.4	54.9	163.1	-9.3	109.3	Y203 S207 P215 V216 L217	R137-Y203 PolarHBondContact NE-OH 2.87Å; R137-Y203 PolarHBondContact NH2-OH 2.87Å; R137-S207 WeakPolarHBondContact CD-OG 3.49Å; R137-S207 PolarHBondContact NE-OG 2.83Å; R137-P215 PolarHBondContact N-O 3.16Å; R137-V216 HydrophobicContact CB-CG2 4.37Å; R137-V216 WeakPolarHBondContact O-CA 3.02Å; R137-L217 PolarHBondContact O-N 2.78Å
138	T	97.9	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	133.4	-175.6	57.9	0	0	0	0	112.4	L131 N132 Y136 G156 R158 E159 L217	L131-T138 HydrophobicContact CB-CG2 4.37Å; N132-T138 HydrophobicContact CB-CG2 3.76Å; Y136-T138 PolarHBondContact O-N 3.03Å; T138-G156 VanDerWaalsContact CB-O 3.25Å; T138-G156 WeakPolarHBondContact CB-O 3.4Å; T138-G156 PolarHBondContact OG1-O 3.21Å; T138-R158 WeakPolarHBondContact O-CB 3.33Å; T138-R158 PolarHBondContact O-N 2.76Å; T138-R158 PolarHBondContact OG1-N 2.82Å; T138-E159 PolarHBondContact O-N 2.54Å; T138-L217 CarbonylContact C-O 3.38Å; T138-L217 WeakPolarHBondContact CA-O 3.26Å; T138-L217 HydrophobicContact CG2-CB 4.12Å; T138-L217 HydrophobicContact CG2-CD2 3.88Å
139	A	98.1	Very high	95.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	144.2	178.5	0	0	0	0	0	112.3	F141 W157 E159 Y203 L217 M218 V219	A139-F141 HydrophobicContact CB-CE2 3.58Å; A139-F141 HydrophobicContact CB-CZ 3.96Å; A139-W157 WeakPolarHBondContact O-CZ3 3.26Å; A139-E159 WeakPolarHBondContact CA-O 3.47Å; A139-E159 HydrophobicContact CB-CB 3.87Å; A139-Y203 HydrophobicContact CB-CD1 3.76Å; A139-Y203 HydrophobicContact CB-CE1 3.54Å; A139-Y203 HydrophobicContact CB-CE2 4.37Å; A139-Y203 HydrophobicContact CB-CG 4.29Å; A139-L217 PolarHBondContact N-O 3.33Å; A139-M218 HydrophobicContact CB-CG 4.46Å; A139-M218 WeakPolarHBondContact O-CA 3.5Å; A139-V219 PolarHBondContact O-N 3.33Å
140	F	98.6	Very high	95.4	Very high	7 Å²	7	24 Å²	24	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.6	178	-167.1	-74.1	0	0	0	110.9	K143 Y144 W157 E159 W160 L161 V219	F140-K143 WeakPolarHBondContact CZ-O 3.29Å; F140-Y144 HydrophobicContact CD2-CD2 4.48Å; F140-Y144 HydrophobicContact CE1-CD2 4.29Å; F140-Y144 AromaticContact CE2-CD2 3.96Å; F140-Y144 HydrophobicContact CE2-CD2 3.96Å; F140-Y144 AromaticContact CZ-CD2 3.88Å; F140-Y144 HydrophobicContact CZ-CD2 3.88Å; F140-W157 HydrophobicContact CB-CD2 3.82Å; F140-W157 HydrophobicContact CB-CE3 3.75Å; F140-W157 HydrophobicContact CB-CG 4.25Å; F140-W157 HydrophobicContact CB-CZ3 4.18Å; F140-W157 HydrophobicContact CD2-CD2 4.44Å; F140-W157 AromaticContact CD2-CH2 3.98Å; F140-W157 HydrophobicContact CD2-CH2 3.98Å; F140-W157 AromaticContact CD2-CZ2 3.88Å; F140-W157 HydrophobicContact CD2-CZ2 3.88Å; F140-W157 HydrophobicContact CD2-CZ3 4.31Å; F140-E159 PolarHBondContact N-O 3.25Å; F140-E159 VanDerWaalsContact N-O 3.08Å; F140-W160 HydrophobicContact CB-CE3 3.62Å; F140-W160 HydrophobicContact CB-CH2 4.48Å; F140-W160 HydrophobicContact CB-CZ3 3.49Å; F140-W160 VanDerWaalsContact CB-CZ3 3.49Å; F140-W160 HydrophobicContact CD1-CE3 4.36Å; F140-W160 AromaticContact CD1-CH2 3.9Å; F140-W160 HydrophobicContact CD1-CH2 3.9Å; F140-W160 AromaticContact CD1-CZ3 3.74Å; F140-W160 HydrophobicContact CD1-CZ3 3.74Å; F140-W160 HydrophobicContact CD2-CZ3 4.21Å; F140-W160 HydrophobicContact CE1-CH2 4.41Å; F140-W160 HydrophobicContact CG-CE3 4.16Å; F140-W160 HydrophobicContact CG-CH2 4.13Å; F140-W160 AromaticContact CG-CZ3 3.54Å; F140-W160 HydrophobicContact CG-CZ3 3.54Å; F140-L161 PolarHBondContact O-N 2.94Å; F140-V219 HydrophobicContact CD2-CB 3.61Å; F140-V219 HydrophobicContact CD2-CG1 3.9Å; F140-V219 HydrophobicContact CD2-CG2 4.09Å; F140-V219 HydrophobicContact CE2-CB 3.85Å; F140-V219 HydrophobicContact CE2-CG1 3.56Å; F140-V219 HydrophobicContact CE2-CG2 4.41Å; F140-V219 HydrophobicContact CG-CB 4.31Å; F140-V219 HydrophobicContact CZ-CG1 4.18Å
141	F	97.9	Very high	95.1	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.013	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.9	-179.5	-52.3	-91.9	0	0	0	110.5	A139 E159 L161 I196 E199 Y203 M218 V219 S221	A139-F141 HydrophobicContact CB-CE2 3.58Å; A139-F141 HydrophobicContact CB-CZ 3.96Å; F141-E159 HydrophobicContact CE1-CG 4.22Å; F141-E159 HydrophobicContact CZ-CG 4.07Å; F141-L161 HydrophobicContact CD1-CB 3.7Å; F141-L161 HydrophobicContact CD1-CD2 3.94Å; F141-L161 HydrophobicContact CD1-CG 4.47Å; F141-L161 HydrophobicContact CE1-CB 4.34Å; F141-L161 HydrophobicContact CG-CB 4.5Å; F141-I196 HydrophobicContact CB-CB 3.97Å; F141-I196 HydrophobicContact CB-CG2 4.36Å; F141-E199 HydrophobicContact CD1-CB 4.12Å; F141-E199 HydrophobicContact CE1-CB 4.05Å; F141-Y203 HydrophobicContact CZ-CG 4.08Å; F141-M218 HydrophobicContact CD2-CG 4.1Å; F141-M218 HydrophobicContact CE2-CG 3.79Å; F141-M218 HydrophobicContact CE2-SD 3.86Å; F141-V219 PolarHBondContact N-O 3.33Å; F141-S221 PolarHBondContact O-N 2.97Å
142	G	96.7	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.5	-142.9	175.5	0	0	0	0	0	115.2	Y144 L161 G162 L163 S221	G142-Y144 PolarHBondContact O-N 3.18Å; G142-L161 PolarHBondContact N-O 3.24Å; G142-G162 WeakPolarHBondContact O-CA 3.17Å; G142-L163 PolarHBondContact O-N 2.99Å; G142-S221 CarbonylContact C-O 3.43Å; G142-S221 VanDerWaalsContact CA-O 3.31Å; G142-S221 WeakPolarHBondContact CA-O 3.41Å
143	K	96.7	Very high	95	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.017	15%	0.152	C	C	.	.			trans	-75.5	111.5	-168.8	-176.5	-174.4	179.7	-178.2	0	113.2	D52 C88 R92 F140 S167 S221	D52-K143 HydrophobicContact CB-CD 4.49Å; D52-K143 WeakPolarHBondContact OD1-CD 3.33Å; D52-K143 WeakPolarHBondContact OD1-CE 3.38Å; D52-K143 IonicContact OD1-NZ 3.36Å; D52-K143 PolarHBondContact OD1-NZ 2.87Å; D52-K143 VanDerWaalsContact OD2-CD 3.27Å; D52-K143 WeakPolarHBondContact OD2-CD 3.48Å; D52-K143 IonicContact OD2-NZ 3.44Å; D52-K143 PolarHBondContact OD2-NZ 3.08Å; C88-K143 PolarHBondContact SG-NZ 3.39Å; R92-K143 PolarHBondContact NH1-O 2.93Å; F140-K143 WeakPolarHBondContact CZ-O 3.29Å; K143-S167 WeakPolarHBondContact CD-OG 3.2Å; K143-S167 WeakPolarHBondContact CE-OG 3.26Å; K143-S167 PolarHBondContact NZ-OG 2.92Å; K143-S221 PolarHBondContact N-O 3.43Å; K143-S221 WeakPolarHBondContact O-CB 3.24Å; K143-S221 PolarHBondContact O-OG 2.87Å; K143-S221 VanDerWaalsContact O-OG 3.05Å
144	Y	96.1	Very high	95.1	Very high	2 Å²	2	22 Å²	22	1%	0.008	12%	0.123	C	C	.	.			trans	-81.5	-83.4	172.7	-175.2	-127.1	0	0	0	112.9	R92 L96 W118 F140 G142 Y148 P154 W160	R92-Y144 WeakPolarHBondContact CD-O 3.33Å; L96-Y144 HydrophobicContact CD1-CD2 4.1Å; L96-Y144 HydrophobicContact CD1-CE2 3.45Å; L96-Y144 VanDerWaalsContact CD1-CE2 3.45Å; L96-Y144 HydrophobicContact CD2-CE2 4.02Å; L96-Y144 HydrophobicContact CG-CE2 4.42Å; W118-Y144 HydrophobicContact CH2-CE1 4.47Å; W118-Y144 WeakPolarHBondContact CH2-OH 3.31Å; W118-Y144 HydrophobicContact CZ3-CE1 4.17Å; W118-Y144 WeakPolarHBondContact CZ3-OH 3.37Å; F140-Y144 HydrophobicContact CD2-CD2 4.48Å; F140-Y144 HydrophobicContact CE1-CD2 4.29Å; F140-Y144 AromaticContact CE2-CD2 3.96Å; F140-Y144 HydrophobicContact CE2-CD2 3.96Å; F140-Y144 AromaticContact CZ-CD2 3.88Å; F140-Y144 HydrophobicContact CZ-CD2 3.88Å; G142-Y144 PolarHBondContact O-N 3.18Å; Y144-Y148 HydrophobicContact CD1-CD2 4.43Å; Y144-P154 HydrophobicContact CD1-CG 4.07Å; Y144-P154 HydrophobicContact CE1-CB 3.95Å; Y144-P154 HydrophobicContact CE1-CG 3.69Å; Y144-W160 AromaticContact CD1-CH2 3.93Å; Y144-W160 HydrophobicContact CD1-CH2 3.93Å; Y144-W160 HydrophobicContact CD1-CZ2 4.31Å; Y144-W160 AromaticContact CD2-CH2 3.63Å; Y144-W160 HydrophobicContact CD2-CH2 3.63Å; Y144-W160 HydrophobicContact CD2-CZ3 4.32Å; Y144-W160 HydrophobicContact CE1-CH2 4.41Å; Y144-W160 HydrophobicContact CE2-CH2 4.13Å; Y144-W160 AromaticContact CG-CH2 3.5Å; Y144-W160 HydrophobicContact CG-CH2 3.5Å; Y144-W160 HydrophobicContact CG-CZ2 4.12Å
145	L	95	Very high	95.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.123	C	C	.	.			trans	-140.1	151.8	-179.2	-68.8	-179.9	0	0	0	108.8	R92 L96 S114 W118 Y148	R92-L145 HydrophobicContact CB-CD2 3.5Å; R92-L145 VanDerWaalsContact CB-CD2 3.5Å; L96-L145 HydrophobicContact CD1-CD1 4.35Å; L96-L145 HydrophobicContact CD1-CD2 4.11Å; L96-L145 HydrophobicContact CD1-CG 4.24Å; S114-L145 VanDerWaalsContact OG-CB 3.27Å; S114-L145 WeakPolarHBondContact OG-CB 3.3Å; W118-L145 HydrophobicContact CD2-CD1 4.19Å; W118-L145 HydrophobicContact CE3-CD1 3.99Å; W118-L145 HydrophobicContact CH2-CD1 3.54Å; W118-L145 HydrophobicContact CZ2-CD1 3.72Å; W118-L145 HydrophobicContact CZ3-CD1 3.65Å; L145-Y148 VanDerWaalsContact O-CB 3.3Å; L145-Y148 WeakPolarHBondContact O-CB 3.49Å; L145-Y148 PolarHBondContact O-N 2.78Å
146	N	92.4	Very high	95.3	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.027	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	156.7	175.5	-64.2	95.8	0	0	0	111.6	C89 N109 C113 S114 Y148 K165 N166	C89-N146 HydrophobicContact CB-CB 4.17Å; N109-N146 HydrophobicContact CB-CB 4.07Å; N109-N146 PolarHBondContact ND2-OD1 2.79Å; C113-N146 PolarHBondContact SG-O 3.37Å; S114-N146 VanDerWaalsContact CB-O 3.25Å; S114-N146 WeakPolarHBondContact CB-O 3.16Å; S114-N146 PolarHBondContact OG-O 3.34Å; N146-Y148 PolarHBondContact O-N 2.04Å; N146-K165 WeakPolarHBondContact CA-O 3.27Å; N146-N166 PolarHBondContact ND2-OD1 3.06Å
147	E	90.3	Very high	95.4	Very high	99 Å²	99	21.6 Å²	21.6	46%	0.463	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	6.1	-175.9	-64.9	-67.7	107.9	0	0	115.8	N149 K165	E147-N149 PolarHBondContact O-N 2.95Å; E147-K165 PolarHBondContact N-O 2.81Å
148	Y	94.1	Very high	95.3	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.137	C	C	.	.			trans	-57.8	129.4	169.3	171.5	-104.6	0	0	0	109.8	S114 Y144 L145 N146 Y152 P154 W160 V164 K165 S175	S114-Y148 PolarHBondContact OG-N 3.04Å; Y144-Y148 HydrophobicContact CD1-CD2 4.43Å; L145-Y148 VanDerWaalsContact O-CB 3.3Å; L145-Y148 WeakPolarHBondContact O-CB 3.49Å; L145-Y148 PolarHBondContact O-N 2.78Å; N146-Y148 PolarHBondContact O-N 2.04Å; Y148-Y152 AromaticContact CD2-CE1 3.96Å; Y148-Y152 HydrophobicContact CD2-CE1 3.96Å; Y148-Y152 HydrophobicContact CE2-CD1 4.15Å; Y148-Y152 AromaticContact CE2-CE1 3.67Å; Y148-Y152 HydrophobicContact CE2-CE1 3.67Å; Y148-Y152 PolarHBondContact OH-O 2.86Å; Y148-P154 HydrophobicContact CE2-CG 4.01Å; Y148-W160 HydrophobicContact CE1-CZ2 4.16Å; Y148-W160 AromaticContact CE1-NE1 3.93Å; Y148-W160 HydrophobicContact CE2-CZ2 4.28Å; Y148-W160 AromaticContact CZ-CZ2 3.92Å; Y148-W160 AromaticContact CZ-NE1 3.54Å; Y148-W160 PolarHBondContact OH-NE1 2.97Å; Y148-V164 HydrophobicContact CE1-CG2 4.46Å; Y148-K165 PolarHBondContact O-N 2.96Å; Y148-S175 WeakPolarHBondContact OH-CB 2.98Å; Y148-S175 PolarHBondContact OH-OG 3.03Å
149	N	91.4	Very high	95.2	Very high	67 Å²	67	28.4 Å²	28.4	36%	0.358	15%	0.147	S	C	.	.			trans	-103.5	-2.3	-161	70	-5.5	0	0	0	114.6	E147 S151 R180	E147-N149 PolarHBondContact O-N 2.95Å; N149-S151 VanDerWaalsContact C-N 3.32Å; N149-S151 PolarHBondContact ND2-OG 3.22Å; N149-S151 PolarHBondContact O-N 3.41Å; N149-S151 PolarHBondContact OD1-N 2.81Å; N149-S151 PolarHBondContact OD1-OG 3.16Å; N149-S151 VanDerWaalsContact OD1-OG 3.12Å; N149-R180 PolarHBondContact O-NH1 2.69Å
150	G	92.5	Very high	95.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	57.9	37.9	-175.3	0	0	0	0	0	114.1	R180	G150-R180 WeakPolarHBondContact O-CD 3.31Å; G150-R180 WeakPolarHBondContact O-CG 3.31Å; G150-R180 PolarHBondContact O-NH1 3.17Å
151	S	91.3	Very high	95.2	Very high	71 Å²	71	28.1 Å²	28.1	50%	0.497	15%	0.146	S	C	.	.	S	Bend	trans	-112.6	3.1	178	81.7	0	0	0	0	114.7	N149	N149-S151 VanDerWaalsContact C-N 3.32Å; N149-S151 PolarHBondContact ND2-OG 3.22Å; N149-S151 PolarHBondContact O-N 3.41Å; N149-S151 PolarHBondContact OD1-N 2.81Å; N149-S151 PolarHBondContact OD1-OG 3.16Å; N149-S151 VanDerWaalsContact OD1-OG 3.12Å
152	Y	94.5	Very high	95.1	Very high	46 Å²	46	28 Å²	28	18%	0.18	15%	0.145	C	C	.	.	S	Bend	trans	-163.9	155.5	-178.6	72.2	-68.4	0	0	0	108.9	Q119 E123 Y148 P154	Q119-Y152 HydrophobicContact CG-CE2 4.28Å; Q119-Y152 WeakPolarHBondContact CG-OH 3.42Å; Q119-Y152 PolarHBondContact NE2-OH 2.85Å; E123-Y152 PolarHBondContact OE2-OH 3.38Å; Y148-Y152 AromaticContact CD2-CE1 3.96Å; Y148-Y152 HydrophobicContact CD2-CE1 3.96Å; Y148-Y152 HydrophobicContact CE2-CD1 4.15Å; Y148-Y152 AromaticContact CE2-CE1 3.67Å; Y148-Y152 HydrophobicContact CE2-CE1 3.67Å; Y148-Y152 PolarHBondContact OH-O 2.86Å; Y152-P154 HydrophobicContact CE2-CB 4.21Å; Y152-P154 HydrophobicContact CE2-CG 3.95Å
153	V	97	Very high	95.1	Very high	49 Å²	49	28.1 Å²	28.1	30%	0.297	15%	0.146	S	C	.	.	P	Polyproline II helix	trans	-85.9	125.2	165.7	178.4	0	0	0	0	107.8	W157 W160	V153-W157 HydrophobicContact CG1-CB 4.26Å; V153-W160 HydrophobicContact CB-CB 4.47Å; V153-W160 HydrophobicContact CB-CG 4.41Å; V153-W160 HydrophobicContact CG1-CB 3.71Å; V153-W160 HydrophobicContact CG1-CD2 4.24Å; V153-W160 HydrophobicContact CG1-CG 3.86Å; V153-W160 HydrophobicContact CG2-CB 4.04Å; V153-W160 HydrophobicContact CG2-CG 4.16Å
154	P	96.7	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-58.8	148.9	174	-28.2	39.4	0	0	0	112.6	E123 Y144 Y148 Y152 G156 W160	E123-P154 HydrophobicContact CG-CB 4.16Å; E123-P154 VanDerWaalsContact OE1-CA 3.25Å; E123-P154 WeakPolarHBondContact OE1-CA 3.41Å; Y144-P154 HydrophobicContact CD1-CG 4.07Å; Y144-P154 HydrophobicContact CE1-CB 3.95Å; Y144-P154 HydrophobicContact CE1-CG 3.69Å; Y148-P154 HydrophobicContact CE2-CG 4.01Å; Y152-P154 HydrophobicContact CE2-CB 4.21Å; Y152-P154 HydrophobicContact CE2-CG 3.95Å; P154-G156 PolarHBondContact O-N 2.84Å; P154-W160 HydrophobicContact CB-CH2 4.26Å; P154-W160 HydrophobicContact CB-CZ3 4.4Å; P154-W160 VanDerWaalsContact CD-CZ2 3.41Å; P154-W160 HydrophobicContact CG-CH2 3.53Å; P154-W160 HydrophobicContact CG-CZ2 3.55Å; P154-W160 HydrophobicContact CG-CZ3 4.06Å
155	A	95.7	Very high	94.7	Very high	37 Å²	37	34.7 Å²	34.7	31%	0.306	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	138.9	-178.1	0	0	0	0	0	111.9	E123 V129	E123-A155 HydrophobicContact CG-CB 4.27Å; E123-A155 PolarHBondContact OE1-N 3.31Å; V129-A155 VanDerWaalsContact CG2-C 3.47Å; V129-A155 HydrophobicContact CG2-CB 3.73Å; V129-A155 VanDerWaalsContact CG2-O 3.29Å; V129-A155 WeakPolarHBondContact CG2-O 3.43Å
156	G	95.8	Very high	94.1	Very high	11 Å²	11	38.3 Å²	38.3	11%	0.113	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-2.4	173.7	0	0	0	0	0	116.4	N132 T138 P154	N132-G156 WeakPolarHBondContact CB-O 3.32Å; T138-G156 VanDerWaalsContact CB-O 3.25Å; T138-G156 WeakPolarHBondContact CB-O 3.4Å; T138-G156 PolarHBondContact OG1-O 3.21Å; P154-G156 PolarHBondContact O-N 2.84Å
157	W	97.4	Very high	94	Very high	16 Å²	16	38.3 Å²	38.3	6%	0.061	20%	0.197	C	C	.	.			trans	-109.8	129.3	179.7	-52.8	100.4	0	0	0	111.5	F127 A139 F140 V153 W160 L217 V219	F127-W157 AromaticContact CE2-CH2 3.9Å; F127-W157 HydrophobicContact CE2-CH2 3.9Å; F127-W157 HydrophobicContact CE2-CZ2 4.48Å; A139-W157 WeakPolarHBondContact O-CZ3 3.26Å; F140-W157 HydrophobicContact CB-CD2 3.82Å; F140-W157 HydrophobicContact CB-CE3 3.75Å; F140-W157 HydrophobicContact CB-CG 4.25Å; F140-W157 HydrophobicContact CB-CZ3 4.18Å; F140-W157 HydrophobicContact CD2-CD2 4.44Å; F140-W157 AromaticContact CD2-CH2 3.98Å; F140-W157 HydrophobicContact CD2-CH2 3.98Å; F140-W157 AromaticContact CD2-CZ2 3.88Å; F140-W157 HydrophobicContact CD2-CZ2 3.88Å; F140-W157 HydrophobicContact CD2-CZ3 4.31Å; V153-W157 HydrophobicContact CG1-CB 4.26Å; W157-W160 HydrophobicContact CB-CE3 3.72Å; W157-W160 HydrophobicContact CB-CZ3 4.31Å; W157-W160 AromaticContact CD1-CE3 3.73Å; W157-W160 AromaticContact CD1-CZ3 3.46Å; W157-W160 VanDerWaalsContact CD1-CZ3 3.46Å; W157-W160 HydrophobicContact CD2-CE3 4.48Å; W157-W160 HydrophobicContact CD2-CZ3 4.3Å; W157-W160 AromaticContact CG-CE3 3.66Å; W157-W160 HydrophobicContact CG-CE3 3.66Å; W157-W160 AromaticContact CG-CZ3 3.74Å; W157-W160 HydrophobicContact CG-CZ3 3.74Å; W157-W160 AromaticContact NE1-CZ3 3.86Å; W157-L217 HydrophobicContact CH2-CD2 4.03Å; W157-L217 HydrophobicContact CZ3-CD2 3.86Å; W157-L217 HydrophobicContact CZ3-CG 4.31Å; W157-V219 HydrophobicContact CH2-CG2 3.64Å; W157-V219 HydrophobicContact CZ3-CG2 3.96Å
158	R	94.4	Very high	94.1	Very high	130 Å²	130	39.5 Å²	39.5	49%	0.491	20%	0.197	S	C	.	.	S	Bend	trans	-91.4	-35.7	177	-63.8	-177.2	-177	-117.4	-7.3	112.6	N132 Y136 T138	N132-R158 VanDerWaalsContact OD1-CZ 3.29Å; N132-R158 PolarHBondContact OD1-NE 2.97Å; N132-R158 PolarHBondContact OD1-NH2 3.38Å; Y136-R158 PolarHBondContact O-NE 3.39Å; T138-R158 WeakPolarHBondContact O-CB 3.33Å; T138-R158 PolarHBondContact O-N 2.76Å; T138-R158 PolarHBondContact OG1-N 2.82Å
159	E	97	Very high	94.1	Very high	47 Å²	47	39.5 Å²	39.5	22%	0.22	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.6	167.5	-170.7	71.1	-121.8	0	0	108.5	T138 A139 F140 F141 N177 Y203	T138-E159 PolarHBondContact O-N 2.54Å; A139-E159 WeakPolarHBondContact CA-O 3.47Å; A139-E159 HydrophobicContact CB-CB 3.87Å; F140-E159 PolarHBondContact N-O 3.25Å; F140-E159 VanDerWaalsContact N-O 3.08Å; F141-E159 HydrophobicContact CE1-CG 4.22Å; F141-E159 HydrophobicContact CZ-CG 4.07Å; E159-N177 PolarHBondContact OE1-ND2 3.44Å; E159-N177 PolarHBondContact OE1-OD1 3.09Å; E159-Y203 HydrophobicContact CB-CD2 3.63Å; E159-Y203 HydrophobicContact CB-CE2 3.33Å; E159-Y203 HydrophobicContact CB-CG 4.47Å; E159-Y203 HydrophobicContact CG-CD2 3.57Å; E159-Y203 HydrophobicContact CG-CE2 3.84Å; E159-Y203 HydrophobicContact CG-CG 4.34Å
160	W	98.1	Very high	94.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	119.3	-172.2	-177.9	-100.5	0	0	0	110.4	F140 Y144 Y148 V153 P154 W157 S175 R176 N177	F140-W160 HydrophobicContact CB-CE3 3.62Å; F140-W160 HydrophobicContact CB-CH2 4.48Å; F140-W160 HydrophobicContact CB-CZ3 3.49Å; F140-W160 VanDerWaalsContact CB-CZ3 3.49Å; F140-W160 HydrophobicContact CD1-CE3 4.36Å; F140-W160 AromaticContact CD1-CH2 3.9Å; F140-W160 HydrophobicContact CD1-CH2 3.9Å; F140-W160 AromaticContact CD1-CZ3 3.74Å; F140-W160 HydrophobicContact CD1-CZ3 3.74Å; F140-W160 HydrophobicContact CD2-CZ3 4.21Å; F140-W160 HydrophobicContact CE1-CH2 4.41Å; F140-W160 HydrophobicContact CG-CE3 4.16Å; F140-W160 HydrophobicContact CG-CH2 4.13Å; F140-W160 AromaticContact CG-CZ3 3.54Å; F140-W160 HydrophobicContact CG-CZ3 3.54Å; Y144-W160 AromaticContact CD1-CH2 3.93Å; Y144-W160 HydrophobicContact CD1-CH2 3.93Å; Y144-W160 HydrophobicContact CD1-CZ2 4.31Å; Y144-W160 AromaticContact CD2-CH2 3.63Å; Y144-W160 HydrophobicContact CD2-CH2 3.63Å; Y144-W160 HydrophobicContact CD2-CZ3 4.32Å; Y144-W160 HydrophobicContact CE1-CH2 4.41Å; Y144-W160 HydrophobicContact CE2-CH2 4.13Å; Y144-W160 AromaticContact CG-CH2 3.5Å; Y144-W160 HydrophobicContact CG-CH2 3.5Å; Y144-W160 HydrophobicContact CG-CZ2 4.12Å; Y148-W160 HydrophobicContact CE1-CZ2 4.16Å; Y148-W160 AromaticContact CE1-NE1 3.93Å; Y148-W160 HydrophobicContact CE2-CZ2 4.28Å; Y148-W160 AromaticContact CZ-CZ2 3.92Å; Y148-W160 AromaticContact CZ-NE1 3.54Å; Y148-W160 PolarHBondContact OH-NE1 2.97Å; V153-W160 HydrophobicContact CB-CB 4.47Å; V153-W160 HydrophobicContact CB-CG 4.41Å; V153-W160 HydrophobicContact CG1-CB 3.71Å; V153-W160 HydrophobicContact CG1-CD2 4.24Å; V153-W160 HydrophobicContact CG1-CG 3.86Å; V153-W160 HydrophobicContact CG2-CB 4.04Å; V153-W160 HydrophobicContact CG2-CG 4.16Å; P154-W160 HydrophobicContact CB-CH2 4.26Å; P154-W160 HydrophobicContact CB-CZ3 4.4Å; P154-W160 VanDerWaalsContact CD-CZ2 3.41Å; P154-W160 HydrophobicContact CG-CH2 3.53Å; P154-W160 HydrophobicContact CG-CZ2 3.55Å; P154-W160 HydrophobicContact CG-CZ3 4.06Å; W157-W160 HydrophobicContact CB-CE3 3.72Å; W157-W160 HydrophobicContact CB-CZ3 4.31Å; W157-W160 AromaticContact CD1-CE3 3.73Å; W157-W160 AromaticContact CD1-CZ3 3.46Å; W157-W160 VanDerWaalsContact CD1-CZ3 3.46Å; W157-W160 HydrophobicContact CD2-CE3 4.48Å; W157-W160 HydrophobicContact CD2-CZ3 4.3Å; W157-W160 AromaticContact CG-CE3 3.66Å; W157-W160 HydrophobicContact CG-CE3 3.66Å; W157-W160 AromaticContact CG-CZ3 3.74Å; W157-W160 HydrophobicContact CG-CZ3 3.74Å; W157-W160 AromaticContact NE1-CZ3 3.86Å; W160-S175 VanDerWaalsContact O-O 3.09Å; W160-R176 CarbonylContact O-C 3.55Å; W160-R176 VanDerWaalsContact O-CA 3.24Å; W160-R176 WeakPolarHBondContact O-CA 3.18Å; W160-N177 PolarHBondContact N-OD1 3.24Å; W160-N177 PolarHBondContact O-N 2.8Å
161	L	97.5	Very high	94.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	61.2	173.5	-165.7	62.9	0	0	0	109.9	F140 F141 G142 L174 S175 R176 L195 I196 E199	F140-L161 PolarHBondContact O-N 2.94Å; F141-L161 HydrophobicContact CD1-CB 3.7Å; F141-L161 HydrophobicContact CD1-CD2 3.94Å; F141-L161 HydrophobicContact CD1-CG 4.47Å; F141-L161 HydrophobicContact CE1-CB 4.34Å; F141-L161 HydrophobicContact CG-CB 4.5Å; G142-L161 PolarHBondContact N-O 3.24Å; L161-L174 HydrophobicContact CD1-CB 4Å; L161-L174 HydrophobicContact CD1-CD1 3.79Å; L161-L174 HydrophobicContact CD1-CG 4.44Å; L161-L174 HydrophobicContact CD2-CD1 4.21Å; L161-L174 HydrophobicContact CG-CD1 3.9Å; L161-S175 WeakPolarHBondContact CA-O 3.01Å; L161-R176 HydrophobicContact CD1-CB 3.92Å; L161-R176 HydrophobicContact CD1-CG 4.26Å; L161-L195 HydrophobicContact CD2-CD2 3.78Å; L161-I196 HydrophobicContact CD2-CG2 4.49Å; L161-E199 HydrophobicContact CD2-CB 3.94Å; L161-E199 HydrophobicContact CD2-CG 3.89Å
162	G	96.8	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.8	-171.8	0	0	0	0	0	113.9	G142 V164 S175	G142-G162 WeakPolarHBondContact O-CA 3.17Å; G162-V164 PolarHBondContact O-N 2.91Å; G162-S175 PolarHBondContact N-O 2.92Å; G162-S175 VanDerWaalsContact N-O 3.1Å; G162-S175 PolarHBondContact O-N 3.36Å
163	L	96.5	Very high	94.6	Very high	4 Å²	4	38 Å²	38	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.6	175.5	-177.6	67.5	0	0	0	111.6	G142 Y172 L174 L192	G142-L163 PolarHBondContact O-N 2.99Å; L163-Y172 HydrophobicContact CD1-CD2 3.83Å; L163-Y172 HydrophobicContact CD1-CG 3.92Å; L163-L174 HydrophobicContact CB-CD2 4.3Å; L163-L174 HydrophobicContact CD1-CD2 3.98Å; L163-L192 HydrophobicContact CD1-CD1 4.48Å; L163-L192 HydrophobicContact CD1-CD2 4.15Å; L163-L192 HydrophobicContact CD2-CD2 3.88Å
164	V	94.8	Very high	94.5	Very high	22 Å²	22	35.6 Å²	35.6	13%	0.133	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-82.7	123.6	-177	178.7	0	0	0	0	111.2	Y148 G162 N166 T173	Y148-V164 HydrophobicContact CE1-CG2 4.46Å; G162-V164 PolarHBondContact O-N 2.91Å; V164-N166 PolarHBondContact O-N 2.74Å; V164-T173 HydrophobicContact CB-CG2 4.43Å; V164-T173 VanDerWaalsContact CB-O 3.26Å; V164-T173 WeakPolarHBondContact CB-O 3.3Å; V164-T173 HydrophobicContact CG2-CG2 4.13Å; V164-T173 WeakPolarHBondContact CG2-O 3.44Å; V164-T173 PolarHBondContact N-O 3.25Å
165	K	89.3	Confident	94.6	Very high	122 Å²	122	35.6 Å²	35.6	53%	0.53	17%	0.171	S	C	.	.	S	Bend	trans	70.2	-84	-177.9	-59	164.1	-174.5	165.3	0	116.4	N146 E147 Y148	N146-K165 WeakPolarHBondContact CA-O 3.27Å; E147-K165 PolarHBondContact N-O 2.81Å; Y148-K165 PolarHBondContact O-N 2.96Å
166	N	83.7	Confident	94.6	Very high	77 Å²	77	36.2 Å²	36.2	41%	0.412	17%	0.166	S	C	.	.	S	Bend	trans	-136.7	153.2	-162.5	-73.5	-16.7	0	0	0	111.3	N146 V164	N146-N166 PolarHBondContact ND2-OD1 3.06Å; V164-N166 PolarHBondContact O-N 2.74Å
167	S	89.3	Confident	94.6	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.035	18%	0.179	C	C	.	.			trans	-49.7	130.9	177	-39.2	0	0	0	0	112.3	D52 K143	D52-S167 WeakPolarHBondContact OD2-CB 3.23Å; D52-S167 PolarHBondContact OD2-OG 2.77Å; K143-S167 WeakPolarHBondContact CD-OG 3.2Å; K143-S167 WeakPolarHBondContact CE-OG 3.26Å; K143-S167 PolarHBondContact NZ-OG 2.92Å
168	R	91.9	Very high	94.4	Very high	123 Å²	123	39.6 Å²	39.6	46%	0.464	19%	0.189	S	C	.	.			trans	-160.2	148.1	178.8	-72.8	-168.7	168.3	-152.6	-17.6	109.1	N171 Y172 L192	R168-N171 PolarHBondContact NH1-O 3.47Å; R168-Y172 HydrophobicContact CB-CD1 4.5Å; R168-L192 WeakPolarHBondContact O-CD2 3.31Å
169	F	93.6	Very high	94.4	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.194	C	C	.	.	S	Bend	trans	-95.2	-26.5	171.8	-63.5	-86.6	0	0	0	113.6	Y172 Y191 L192 A224 H226 P228 D230 T286	F169-Y172 WeakPolarHBondContact O-CE1 3.46Å; F169-Y191 HydrophobicContact CB-CD2 3.95Å; F169-Y191 HydrophobicContact CB-CE2 3.72Å; F169-Y191 HydrophobicContact CD1-CD2 4.38Å; F169-Y191 AromaticContact CD1-CE2 3.51Å; F169-Y191 HydrophobicContact CD1-CE2 3.51Å; F169-Y191 AromaticContact CD1-CZ 3.94Å; F169-Y191 HydrophobicContact CE1-CE2 4.49Å; F169-Y191 AromaticContact CG-CE2 3.97Å; F169-Y191 HydrophobicContact CG-CE2 3.97Å; F169-L192 PolarHBondContact O-N 2.87Å; F169-A224 HydrophobicContact CE1-CB 3.91Å; F169-A224 HydrophobicContact CZ-CB 3.92Å; F169-H226 WeakPolarHBondContact CE2-O 3.36Å; F169-P228 WeakPolarHBondContact CD2-O 3.36Å; F169-P228 VanDerWaalsContact CE2-O 3.24Å; F169-P228 WeakPolarHBondContact CE2-O 3.26Å; F169-D230 HydrophobicContact CB-CB 4.33Å; F169-D230 VanDerWaalsContact CB-O 3.25Å; F169-D230 WeakPolarHBondContact CB-O 3.25Å; F169-D230 HydrophobicContact CD2-CB 4.31Å; F169-D230 WeakPolarHBondContact CG-O 3.48Å; F169-T286 HydrophobicContact CE1-CG2 3.93Å; F169-T286 HydrophobicContact CE2-CG2 3.83Å; F169-T286 HydrophobicContact CZ-CG2 3.47Å; F169-T286 VanDerWaalsContact CZ-CG2 3.47Å
170	Y	94.1	Very high	94.4	Very high	17 Å²	17	43 Å²	43	7%	0.067	21%	0.21	C	C	.	.	S	Bend	trans	-140.4	168.6	-179.1	-54.8	-78.1	0	0	0	110.6	Y172 A185 Y191 D230 S231 T776	Y170-Y172 PolarHBondContact O-N 3.01Å; Y170-A185 HydrophobicContact CD1-CB 4.43Å; Y170-Y191 HydrophobicContact CD1-CD2 4.38Å; Y170-Y191 AromaticContact CE1-CD2 3.65Å; Y170-Y191 HydrophobicContact CE1-CD2 3.65Å; Y170-Y191 HydrophobicContact CE1-CG 4.15Å; Y170-Y191 AromaticContact CE2-CD2 3.89Å; Y170-Y191 HydrophobicContact CE2-CD2 3.89Å; Y170-Y191 HydrophobicContact CE2-CE2 4.24Å; Y170-Y191 AromaticContact CZ-CD2 3.37Å; Y170-Y191 WeakPolarHBondContact OH-CD2 3.29Å; Y170-D230 HydrophobicContact CD2-CB 3.91Å; Y170-D230 HydrophobicContact CE2-CB 3.94Å; Y170-S231 PolarHBondContact OH-O 3.29Å; Y170-T776 HydrophobicContact CE2-CG2 3.91Å
171	N	94.2	Very high	94.2	Very high	85 Å²	85	45.7 Å²	45.7	46%	0.455	22%	0.223	S	C	.	.	S	Bend	trans	52	50.3	175.9	-70.2	-60.6	0	0	0	113.1	R168 H183 G184	R168-N171 PolarHBondContact NH1-O 3.47Å; N171-H183 WeakPolarHBondContact CA-O 3.25Å; N171-G184 WeakPolarHBondContact CA-O 3.27Å; N171-G184 PolarHBondContact N-O 3.01Å
172	Y	95.1	Very high	94.2	Very high	10 Å²	10	54.4 Å²	54.4	4%	0.039	26%	0.261	C	S	.	.			trans	-118.5	-171.6	-174.7	59.4	-96.8	0	0	0	112.9	L163 R168 F169 Y170 L174 H183 D190 L192	L163-Y172 HydrophobicContact CD1-CD2 3.83Å; L163-Y172 HydrophobicContact CD1-CG 3.92Å; R168-Y172 HydrophobicContact CB-CD1 4.5Å; F169-Y172 WeakPolarHBondContact O-CE1 3.46Å; Y170-Y172 PolarHBondContact O-N 3.01Å; Y172-L174 HydrophobicContact CD2-CD2 3.91Å; Y172-L174 HydrophobicContact CD2-CG 3.9Å; Y172-L174 HydrophobicContact CE2-CD1 3.87Å; Y172-L174 HydrophobicContact CE2-CD2 3.79Å; Y172-L174 HydrophobicContact CE2-CG 3.59Å; Y172-H183 HydrophobicContact CD1-CB 4.46Å; Y172-H183 HydrophobicContact CD2-CB 4.02Å; Y172-H183 HydrophobicContact CE1-CB 4.03Å; Y172-H183 HydrophobicContact CE2-CB 3.55Å; Y172-H183 AromaticContact CE2-CD2 3.44Å; Y172-H183 VanDerWaalsContact CE2-CD2 3.44Å; Y172-H183 WeakPolarHBondContact CE2-CD2 3.19Å; Y172-H183 AromaticContact CE2-CG 3.55Å; Y172-H183 HydrophobicContact CG-CB 4.43Å; Y172-H183 AromaticContact CZ-CG 3.77Å; Y172-H183 PolarHBondContact N-O 3.26Å; Y172-H183 PolarHBondContact O-N 3.28Å; Y172-D190 WeakPolarHBondContact CE1-O 3.5Å; Y172-D190 PolarHBondContact OH-O 3.26Å; Y172-L192 HydrophobicContact CD1-CB 4.45Å; Y172-L192 HydrophobicContact CD2-CD1 4.36Å; Y172-L192 HydrophobicContact CE1-CB 3.76Å; Y172-L192 HydrophobicContact CE1-CD1 4.29Å; Y172-L192 HydrophobicContact CE2-CD1 3.75Å; Y172-L192 WeakPolarHBondContact OH-CA 3.44Å
173	T	96.9	Very high	94.1	Very high	40 Å²	40	56 Å²	56	25%	0.245	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.1	174.4	-58.3	0	0	0	0	107.8	V164 R180 E181	V164-T173 HydrophobicContact CB-CG2 4.43Å; V164-T173 VanDerWaalsContact CB-O 3.26Å; V164-T173 WeakPolarHBondContact CB-O 3.3Å; V164-T173 HydrophobicContact CG2-CG2 4.13Å; V164-T173 WeakPolarHBondContact CG2-O 3.44Å; V164-T173 PolarHBondContact N-O 3.25Å; T173-R180 HydrophobicContact CG2-CB 3.99Å; T173-R180 HydrophobicContact CG2-CG 4.27Å; T173-E181 CarbonylContact C-O 3.57Å; T173-E181 WeakPolarHBondContact CA-O 3.47Å; T173-E181 VanDerWaalsContact CG2-O 3.29Å; T173-E181 WeakPolarHBondContact CG2-O 3.47Å
174	L	96.6	Very high	93.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	156.7	171.7	-61	176.2	0	0	0	109.2	L161 L163 Y172 R180 E181 L192 L195	L161-L174 HydrophobicContact CD1-CB 4Å; L161-L174 HydrophobicContact CD1-CD1 3.79Å; L161-L174 HydrophobicContact CD1-CG 4.44Å; L161-L174 HydrophobicContact CD2-CD1 4.21Å; L161-L174 HydrophobicContact CG-CD1 3.9Å; L163-L174 HydrophobicContact CB-CD2 4.3Å; L163-L174 HydrophobicContact CD1-CD2 3.98Å; Y172-L174 HydrophobicContact CD2-CD2 3.91Å; Y172-L174 HydrophobicContact CD2-CG 3.9Å; Y172-L174 HydrophobicContact CE2-CD1 3.87Å; Y172-L174 HydrophobicContact CE2-CD2 3.79Å; Y172-L174 HydrophobicContact CE2-CG 3.59Å; L174-R180 WeakPolarHBondContact O-CA 3.1Å; L174-E181 PolarHBondContact N-O 3.01Å; L174-E181 PolarHBondContact O-N 3.47Å; L174-L192 HydrophobicContact CD2-CD1 3.83Å; L174-L195 HydrophobicContact CD1-CD1 4.48Å; L174-L195 HydrophobicContact CD1-CD2 3.65Å
175	S	97.1	Very high	93.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	103.7	162.3	-164.2	0	0	0	0	109	Y148 W160 L161 G162 V179	Y148-S175 WeakPolarHBondContact OH-CB 2.98Å; Y148-S175 PolarHBondContact OH-OG 3.03Å; W160-S175 VanDerWaalsContact O-O 3.09Å; L161-S175 WeakPolarHBondContact CA-O 3.01Å; G162-S175 PolarHBondContact N-O 2.92Å; G162-S175 VanDerWaalsContact N-O 3.1Å; G162-S175 PolarHBondContact O-N 3.36Å; S175-V179 CarbonylContact C-O 3.58Å; S175-V179 WeakPolarHBondContact CA-O 3.36Å; S175-V179 PolarHBondContact OG-O 3.29Å
176	R	96.6	Very high	93.8	Very high	51 Å²	51	59.5 Å²	59.5	19%	0.192	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.3	172.4	-174.2	-177.8	-55.3	-79	-4.1	109.2	W160 L161 G178 V179 E181 E199	W160-R176 CarbonylContact O-C 3.55Å; W160-R176 VanDerWaalsContact O-CA 3.24Å; W160-R176 WeakPolarHBondContact O-CA 3.18Å; L161-R176 HydrophobicContact CD1-CB 3.92Å; L161-R176 HydrophobicContact CD1-CG 4.26Å; R176-G178 PolarHBondContact O-N 2.89Å; R176-V179 PolarHBondContact N-O 2.72Å; R176-V179 WeakPolarHBondContact O-CB 3.44Å; R176-V179 PolarHBondContact O-N 3.42Å; R176-E181 WeakPolarHBondContact CB-OE1 3.38Å; R176-E181 WeakPolarHBondContact CD-OE1 3.35Å; R176-E181 IonicContact CZ-OE1 3.77Å; R176-E181 IonicContact CZ-OE2 3.97Å; R176-E181 VanDerWaalsContact CZ-OE2 3.27Å; R176-E181 IonicContact NE-OE1 2.75Å; R176-E181 PolarHBondContact NE-OE1 3.44Å; R176-E181 IonicContact NE-OE2 3.59Å; R176-E181 PolarHBondContact NE-OE2 3.37Å; R176-E181 IonicContact NH2-OE2 3.73Å; R176-E181 PolarHBondContact NH2-OE2 2.69Å; R176-E199 IonicContact CZ-OE2 3.63Å; R176-E199 IonicContact NH1-OE2 3.7Å; R176-E199 PolarHBondContact NH1-OE2 3.41Å; R176-E199 IonicContact NH2-OE2 3.78Å
177	N	95.9	Very high	93.9	Very high	71 Å²	71	58.4 Å²	58.4	38%	0.38	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	35.6	178.3	-58.9	-41.1	0	0	0	113.8	E159 W160	E159-N177 PolarHBondContact OE1-ND2 3.44Å; E159-N177 PolarHBondContact OE1-OD1 3.09Å; W160-N177 PolarHBondContact N-OD1 3.24Å; W160-N177 PolarHBondContact O-N 2.8Å
178	G	92.8	Very high	93.7	Very high	27 Å²	27	61.7 Å²	61.7	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-16.4	-179.5	0	0	0	0	0	115.7	R176	R176-G178 PolarHBondContact O-N 2.89Å
179	V	95.2	Very high	93.5	Very high	98 Å²	98	61.1 Å²	61.1	59%	0.594	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	150.8	169.5	-175.5	0	0	0	0	109	S175 R176	S175-V179 CarbonylContact C-O 3.58Å; S175-V179 WeakPolarHBondContact CA-O 3.36Å; S175-V179 PolarHBondContact OG-O 3.29Å; R176-V179 PolarHBondContact N-O 2.72Å; R176-V179 WeakPolarHBondContact O-CB 3.44Å; R176-V179 PolarHBondContact O-N 3.42Å
180	R	95.9	Very high	93.4	Very high	149 Å²	149	62 Å²	62	56%	0.562	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	122.8	178.6	-75.9	-175.1	-65.6	-121.4	-9.1	112.5	N149 G150 T173 L174	N149-R180 PolarHBondContact O-NH1 2.69Å; G150-R180 WeakPolarHBondContact O-CD 3.31Å; G150-R180 WeakPolarHBondContact O-CG 3.31Å; G150-R180 PolarHBondContact O-NH1 3.17Å; T173-R180 HydrophobicContact CG2-CB 3.99Å; T173-R180 HydrophobicContact CG2-CG 4.27Å; L174-R180 WeakPolarHBondContact O-CA 3.1Å
181	E	95.1	Very high	93.4	Very high	57 Å²	57	61.3 Å²	61.3	27%	0.266	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.4	179.8	-68.8	170.5	-172.8	0	0	108.9	T173 L174 R176	T173-E181 CarbonylContact C-O 3.57Å; T173-E181 WeakPolarHBondContact CA-O 3.47Å; T173-E181 VanDerWaalsContact CG2-O 3.29Å; T173-E181 WeakPolarHBondContact CG2-O 3.47Å; L174-E181 PolarHBondContact N-O 3.01Å; L174-E181 PolarHBondContact O-N 3.47Å; R176-E181 WeakPolarHBondContact CB-OE1 3.38Å; R176-E181 WeakPolarHBondContact CD-OE1 3.35Å; R176-E181 IonicContact CZ-OE1 3.77Å; R176-E181 IonicContact CZ-OE2 3.97Å; R176-E181 VanDerWaalsContact CZ-OE2 3.27Å; R176-E181 IonicContact NE-OE1 2.75Å; R176-E181 PolarHBondContact NE-OE1 3.44Å; R176-E181 IonicContact NE-OE2 3.59Å; R176-E181 PolarHBondContact NE-OE2 3.37Å; R176-E181 IonicContact NH2-OE2 3.73Å; R176-E181 PolarHBondContact NH2-OE2 2.69Å
182	K	95.9	Very high	93.4	Very high	184 Å²	184	57.3 Å²	57.3	80%	0.8	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	138.5	177	-72.8	-176.1	-179.9	178	0	109.8
183	H	95.1	Very high	93.3	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.153	30%	0.296	C	S	.	.			trans	-117.7	142.2	174.9	-69.6	-83.1	0	0	0	109.8	N171 Y172 D190 L195	N171-H183 WeakPolarHBondContact CA-O 3.25Å; Y172-H183 HydrophobicContact CD1-CB 4.46Å; Y172-H183 HydrophobicContact CD2-CB 4.02Å; Y172-H183 HydrophobicContact CE1-CB 4.03Å; Y172-H183 HydrophobicContact CE2-CB 3.55Å; Y172-H183 AromaticContact CE2-CD2 3.44Å; Y172-H183 VanDerWaalsContact CE2-CD2 3.44Å; Y172-H183 WeakPolarHBondContact CE2-CD2 3.19Å; Y172-H183 AromaticContact CE2-CG 3.55Å; Y172-H183 HydrophobicContact CG-CB 4.43Å; Y172-H183 AromaticContact CZ-CG 3.77Å; Y172-H183 PolarHBondContact N-O 3.26Å; Y172-H183 PolarHBondContact O-N 3.28Å; H183-D190 VanDerWaalsContact CA-OD1 3.27Å; H183-D190 WeakPolarHBondContact CA-OD1 3.38Å; H183-D190 HydrophobicContact CB-CB 4.31Å; H183-D190 VanDerWaalsContact CB-OD1 3.29Å; H183-D190 WeakPolarHBondContact CB-OD1 3.5Å; H183-D190 IonicContact CG-OD1 2.71Å; H183-D190 IonicContact ND1-OD1 3.65Å; H183-D190 PolarHBondContact ND1-OD1 3Å; H183-L195 VanDerWaalsContact CE1-CD1 3.44Å; H183-L195 WeakPolarHBondContact CE1-CD1 3.37Å
184	G	93.9	Very high	93.1	Very high	29 Å²	29	57 Å²	57	30%	0.299	30%	0.295	S	S	.	.			trans	-88.7	-132.2	179.5	0	0	0	0	0	112.1	N171 D190	N171-G184 WeakPolarHBondContact CA-O 3.27Å; N171-G184 PolarHBondContact N-O 3.01Å; G184-D190 VanDerWaalsContact C-CG 3.44Å; G184-D190 WeakPolarHBondContact CA-OD2 3.3Å; G184-D190 PolarHBondContact N-OD1 3.44Å; G184-D190 PolarHBondContact N-OD2 2.94Å; G184-D190 VanDerWaalsContact N-OD2 3.12Å
185	A	91	Very high	92.9	Very high	59 Å²	59	58.3 Å²	58.3	49%	0.488	30%	0.302	S	S	.	.	S	Bend	trans	-136.5	21.2	-179.9	0	0	0	0	0	113.1	Y170 Y187 D190	Y170-A185 HydrophobicContact CD1-CB 4.43Å; A185-Y187 PolarHBondContact O-N 3.46Å; A185-D190 PolarHBondContact N-OD2 2.71Å
186	Q	90.5	Very high	92.7	Very high	133 Å²	133	58.3 Å²	58.3	62%	0.621	30%	0.302	S	S	*	.			trans	-82.5	106.4	176.5	-59.8	-175.5	22.1	0	0	108.7	Q189 D190	Q186-Q189 PolarHBondContact O-N 3.1Å; Q186-D190 PolarHBondContact N-OD2 2.82Å; Q186-D190 WeakPolarHBondContact O-CB 3.43Å; Q186-D190 PolarHBondContact O-N 3.48Å
187	Y	85.8	Confident	92.5	Very high	55 Å²	55	55.9 Å²	55.9	22%	0.216	29%	0.293	C	S	.	.	H	α-helix	trans	-46.4	-54	-167.5	160.5	-108.5	0	0	0	115	A185 Q189 Y191 D194 A232 P233 Q234	A185-Y187 PolarHBondContact O-N 3.46Å; Y187-Q189 PolarHBondContact O-N 3.02Å; Y187-Y191 HydrophobicContact CD2-CD1 4.17Å; Y187-Y191 AromaticContact CD2-CG 3.92Å; Y187-Y191 HydrophobicContact CD2-CG 3.92Å; Y187-Y191 AromaticContact CE2-CD1 3.75Å; Y187-Y191 HydrophobicContact CE2-CD1 3.75Å; Y187-Y191 HydrophobicContact CE2-CE1 4.42Å; Y187-Y191 AromaticContact CE2-CG 4Å; Y187-Y191 HydrophobicContact CE2-CG 4Å; Y187-Y191 WeakPolarHBondContact O-CB 3.19Å; Y187-Y191 PolarHBondContact O-N 2.9Å; Y187-D194 PolarHBondContact OH-OD2 3.49Å; Y187-A232 HydrophobicContact CD2-CB 4.02Å; Y187-A232 HydrophobicContact CE2-CB 3.39Å; Y187-P233 HydrophobicContact CD1-CG 4.03Å; Y187-P233 HydrophobicContact CD2-CG 4.24Å; Y187-P233 HydrophobicContact CG-CG 3.74Å; Y187-Q234 VanDerWaalsContact CZ-OE1 3.28Å; Y187-Q234 PolarHBondContact OH-NE2 3.29Å; Y187-Q234 PolarHBondContact OH-OE1 3.07Å
188	P	84.8	Confident	92.3	Very high	73 Å²	73	54.8 Å²	54.8	47%	0.474	29%	0.293	S	S	.	.	H	α-helix	trans	-69	-4.5	-175.3	-18	32.1	0	0	0	115.7	F327	P188-F327 HydrophobicContact CB-CE1 4.33Å; P188-F327 HydrophobicContact CG-CE1 4.07Å
189	Q	86.9	Confident	92.3	Very high	112 Å²	112	54.8 Å²	54.8	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-125.6	-30.5	-177.8	-61.3	83	9.5	0	0	113.4	Q186 Y187	Q186-Q189 PolarHBondContact O-N 3.1Å; Y187-Q189 PolarHBondContact O-N 3.02Å
190	D	92.3	Very high	92.2	Very high	20 Å²	20	50.1 Å²	50.1	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-110.4	-13	-171.2	-71.2	-48.8	0	0	0	114.1	Y172 H183 G184 A185 Q186 L192	Y172-D190 WeakPolarHBondContact CE1-O 3.5Å; Y172-D190 PolarHBondContact OH-O 3.26Å; H183-D190 VanDerWaalsContact CA-OD1 3.27Å; H183-D190 WeakPolarHBondContact CA-OD1 3.38Å; H183-D190 HydrophobicContact CB-CB 4.31Å; H183-D190 VanDerWaalsContact CB-OD1 3.29Å; H183-D190 WeakPolarHBondContact CB-OD1 3.5Å; H183-D190 IonicContact CG-OD1 2.71Å; H183-D190 IonicContact ND1-OD1 3.65Å; H183-D190 PolarHBondContact ND1-OD1 3Å; G184-D190 VanDerWaalsContact C-CG 3.44Å; G184-D190 WeakPolarHBondContact CA-OD2 3.3Å; G184-D190 PolarHBondContact N-OD1 3.44Å; G184-D190 PolarHBondContact N-OD2 2.94Å; G184-D190 VanDerWaalsContact N-OD2 3.12Å; A185-D190 PolarHBondContact N-OD2 2.71Å; Q186-D190 PolarHBondContact N-OD2 2.82Å; Q186-D190 WeakPolarHBondContact O-CB 3.43Å; Q186-D190 PolarHBondContact O-N 3.48Å; D190-L192 PolarHBondContact O-N 3.08Å
191	Y	93.6	Very high	92.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	23%	0.234	C	C	.	.			trans	-70.7	120.6	-175.9	-176.7	-117.5	0	0	0	111.9	F169 Y170 Y187 T193 D194 L195 A232 S289	F169-Y191 HydrophobicContact CB-CD2 3.95Å; F169-Y191 HydrophobicContact CB-CE2 3.72Å; F169-Y191 HydrophobicContact CD1-CD2 4.38Å; F169-Y191 AromaticContact CD1-CE2 3.51Å; F169-Y191 HydrophobicContact CD1-CE2 3.51Å; F169-Y191 AromaticContact CD1-CZ 3.94Å; F169-Y191 HydrophobicContact CE1-CE2 4.49Å; F169-Y191 AromaticContact CG-CE2 3.97Å; F169-Y191 HydrophobicContact CG-CE2 3.97Å; Y170-Y191 HydrophobicContact CD1-CD2 4.38Å; Y170-Y191 AromaticContact CE1-CD2 3.65Å; Y170-Y191 HydrophobicContact CE1-CD2 3.65Å; Y170-Y191 HydrophobicContact CE1-CG 4.15Å; Y170-Y191 AromaticContact CE2-CD2 3.89Å; Y170-Y191 HydrophobicContact CE2-CD2 3.89Å; Y170-Y191 HydrophobicContact CE2-CE2 4.24Å; Y170-Y191 AromaticContact CZ-CD2 3.37Å; Y170-Y191 WeakPolarHBondContact OH-CD2 3.29Å; Y187-Y191 HydrophobicContact CD2-CD1 4.17Å; Y187-Y191 AromaticContact CD2-CG 3.92Å; Y187-Y191 HydrophobicContact CD2-CG 3.92Å; Y187-Y191 AromaticContact CE2-CD1 3.75Å; Y187-Y191 HydrophobicContact CE2-CD1 3.75Å; Y187-Y191 HydrophobicContact CE2-CE1 4.42Å; Y187-Y191 AromaticContact CE2-CG 4Å; Y187-Y191 HydrophobicContact CE2-CG 4Å; Y187-Y191 WeakPolarHBondContact O-CB 3.19Å; Y187-Y191 PolarHBondContact O-N 2.9Å; Y191-T193 PolarHBondContact O-N 2.89Å; Y191-D194 HydrophobicContact CD1-CB 4.32Å; Y191-D194 VanDerWaalsContact CD1-CG 3.49Å; Y191-D194 WeakPolarHBondContact CD1-OD1 3.43Å; Y191-D194 WeakPolarHBondContact CE1-OD1 3.47Å; Y191-D194 PolarHBondContact O-N 3.1Å; Y191-L195 WeakPolarHBondContact O-CB 3.48Å; Y191-L195 PolarHBondContact O-N 3.26Å; Y191-A232 HydrophobicContact CD1-CB 4.23Å; Y191-A232 HydrophobicContact CE1-CB 3.76Å; Y191-A232 HydrophobicContact CE2-CB 4.46Å; Y191-A232 PolarHBondContact OH-N 2.85Å; Y191-S289 VanDerWaalsContact CE1-OG 3.23Å; Y191-S289 WeakPolarHBondContact CE1-OG 3.29Å; Y191-S289 WeakPolarHBondContact OH-CB 3.27Å; Y191-S289 PolarHBondContact OH-OG 3.12Å
192	L	94.1	Very high	92	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-59.3	-43.7	-164	-179.3	65.1	0	0	0	113.7	L163 R168 F169 Y172 L174 D190 D194 L195 I196 A223	L163-L192 HydrophobicContact CD1-CD1 4.48Å; L163-L192 HydrophobicContact CD1-CD2 4.15Å; L163-L192 HydrophobicContact CD2-CD2 3.88Å; R168-L192 WeakPolarHBondContact O-CD2 3.31Å; F169-L192 PolarHBondContact O-N 2.87Å; Y172-L192 HydrophobicContact CD1-CB 4.45Å; Y172-L192 HydrophobicContact CD2-CD1 4.36Å; Y172-L192 HydrophobicContact CE1-CB 3.76Å; Y172-L192 HydrophobicContact CE1-CD1 4.29Å; Y172-L192 HydrophobicContact CE2-CD1 3.75Å; Y172-L192 WeakPolarHBondContact OH-CA 3.44Å; L174-L192 HydrophobicContact CD2-CD1 3.83Å; D190-L192 PolarHBondContact O-N 3.08Å; L192-D194 PolarHBondContact O-N 2.91Å; L192-L195 PolarHBondContact O-N 2.73Å; L192-I196 HydrophobicContact CD1-CG2 3.78Å; L192-I196 HydrophobicContact CG-CG2 4.36Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 WeakPolarHBondContact O-CG2 3.34Å; L192-I196 PolarHBondContact O-N 2.88Å; L192-A223 HydrophobicContact CD2-CB 3.85Å
193	T	93.5	Very high	91.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-47.3	-173.9	-67.6	0	0	0	0	111.6	Y191 I196 T197 S289 V290	Y191-T193 PolarHBondContact O-N 2.89Å; T193-I196 WeakPolarHBondContact O-CG1 3.3Å; T193-T197 WeakPolarHBondContact O-CB 3.4Å; T193-T197 PolarHBondContact O-N 2.83Å; T193-T197 VanDerWaalsContact O-N 3.14Å; T193-T197 PolarHBondContact O-OG1 2.02Å; T193-S289 WeakPolarHBondContact CG2-O 3.37Å; T193-V290 HydrophobicContact CG2-CG2 4.2Å
194	D	92.3	Very high	91.9	Very high	44 Å²	44	38.4 Å²	38.4	24%	0.235	21%	0.206	C	C	.	.	H	α-helix	trans	-72.6	-40.4	-175.4	-53.4	2.2	0	0	0	109.8	Y187 Y191 L192 T197 A198	Y187-D194 PolarHBondContact OH-OD2 3.49Å; Y191-D194 HydrophobicContact CD1-CB 4.32Å; Y191-D194 VanDerWaalsContact CD1-CG 3.49Å; Y191-D194 WeakPolarHBondContact CD1-OD1 3.43Å; Y191-D194 WeakPolarHBondContact CE1-OD1 3.47Å; Y191-D194 PolarHBondContact O-N 3.1Å; L192-D194 PolarHBondContact O-N 2.91Å; D194-T197 PolarHBondContact O-N 3.22Å; D194-A198 WeakPolarHBondContact O-CB 3.26Å; D194-A198 PolarHBondContact O-N 3.05Å
195	L	92.6	Very high	91.9	Very high	26 Å²	26	42.2 Å²	42.2	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-50.2	175.5	-175	158	0	0	0	111.7	L161 L174 H183 Y191 L192 T197 E199	L161-L195 HydrophobicContact CD2-CD2 3.78Å; L174-L195 HydrophobicContact CD1-CD1 4.48Å; L174-L195 HydrophobicContact CD1-CD2 3.65Å; H183-L195 VanDerWaalsContact CE1-CD1 3.44Å; H183-L195 WeakPolarHBondContact CE1-CD1 3.37Å; Y191-L195 WeakPolarHBondContact O-CB 3.48Å; Y191-L195 PolarHBondContact O-N 3.26Å; L192-L195 PolarHBondContact O-N 2.73Å; L195-T197 VanDerWaalsContact C-N 3.27Å; L195-T197 PolarHBondContact O-N 3.24Å; L195-E199 HydrophobicContact CD2-CG 4.18Å; L195-E199 VanDerWaalsContact O-CB 3.31Å; L195-E199 WeakPolarHBondContact O-CB 3.29Å; L195-E199 WeakPolarHBondContact O-CG 3.34Å; L195-E199 PolarHBondContact O-N 2.95Å
196	I	93.8	Very high	92	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-30	-180	66.8	175	0	0	0	112.4	F141 L161 L192 T193 S200	F141-I196 HydrophobicContact CB-CB 3.97Å; F141-I196 HydrophobicContact CB-CG2 4.36Å; L161-I196 HydrophobicContact CD2-CG2 4.49Å; L192-I196 HydrophobicContact CD1-CG2 3.78Å; L192-I196 HydrophobicContact CG-CG2 4.36Å; L192-I196 WeakPolarHBondContact O-CG1 3.42Å; L192-I196 WeakPolarHBondContact O-CG2 3.34Å; L192-I196 PolarHBondContact O-N 2.88Å; T193-I196 WeakPolarHBondContact O-CG1 3.3Å; I196-S200 WeakPolarHBondContact O-CB 3.2Å; I196-S200 PolarHBondContact O-N 3.4Å
197	T	92.7	Very high	92.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-70.2	-53.4	177.5	-51.9	0	0	0	0	110.8	T193 D194 L195 E199 S200 I201 S293 Q332 L333	T193-T197 WeakPolarHBondContact O-CB 3.4Å; T193-T197 PolarHBondContact O-N 2.83Å; T193-T197 VanDerWaalsContact O-N 3.14Å; T193-T197 PolarHBondContact O-OG1 2.02Å; D194-T197 PolarHBondContact O-N 3.22Å; L195-T197 VanDerWaalsContact C-N 3.27Å; L195-T197 PolarHBondContact O-N 3.24Å; T197-E199 VanDerWaalsContact C-N 3.28Å; T197-E199 PolarHBondContact O-N 2.87Å; T197-S200 PolarHBondContact O-N 3.19Å; T197-S200 VanDerWaalsContact O-N 3.1Å; T197-S200 PolarHBondContact O-OG 3.34Å; T197-I201 HydrophobicContact CG2-CD1 4.21Å; T197-I201 PolarHBondContact O-N 2.96Å; T197-I201 VanDerWaalsContact O-N 3.08Å; T197-S293 WeakPolarHBondContact OG1-CB 3.48Å; T197-Q332 HydrophobicContact CG2-CB 3.97Å; T197-L333 HydrophobicContact CG2-CD1 4.27Å; T197-L333 HydrophobicContact CG2-CG 4.11Å
198	A	91.5	Very high	92.5	Very high	47 Å²	47	33.4 Å²	33.4	39%	0.388	17%	0.166	S	C	.	.	H	α-helix	trans	-58.4	-40.5	178.8	0	0	0	0	0	111.9	D194 I201 R202	D194-A198 WeakPolarHBondContact O-CB 3.26Å; D194-A198 PolarHBondContact O-N 3.05Å; A198-I201 PolarHBondContact O-N 2.83Å; A198-R202 WeakPolarHBondContact O-CB 3.48Å; A198-R202 PolarHBondContact O-N 3.43Å
199	E	92.1	Very high	92.9	Very high	28 Å²	28	39.5 Å²	39.5	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-38.8	176.1	-72.9	-69.5	87.4	0	0	113.1	F141 L161 R176 L195 T197 I201 R202 Y203	F141-E199 HydrophobicContact CD1-CB 4.12Å; F141-E199 HydrophobicContact CE1-CB 4.05Å; L161-E199 HydrophobicContact CD2-CB 3.94Å; L161-E199 HydrophobicContact CD2-CG 3.89Å; R176-E199 IonicContact CZ-OE2 3.63Å; R176-E199 IonicContact NH1-OE2 3.7Å; R176-E199 PolarHBondContact NH1-OE2 3.41Å; R176-E199 IonicContact NH2-OE2 3.78Å; L195-E199 HydrophobicContact CD2-CG 4.18Å; L195-E199 VanDerWaalsContact O-CB 3.31Å; L195-E199 WeakPolarHBondContact O-CB 3.29Å; L195-E199 WeakPolarHBondContact O-CG 3.34Å; L195-E199 PolarHBondContact O-N 2.95Å; T197-E199 VanDerWaalsContact C-N 3.28Å; T197-E199 PolarHBondContact O-N 2.87Å; E199-I201 VanDerWaalsContact C-N 3.34Å; E199-I201 PolarHBondContact O-N 2.86Å; E199-R202 PolarHBondContact O-N 3.17Å; E199-R202 IonicContact OE1-CZ 2.72Å; E199-R202 IonicContact OE1-NE 3.1Å; E199-R202 PolarHBondContact OE1-NE 2.94Å; E199-R202 IonicContact OE1-NH2 2.69Å; E199-R202 PolarHBondContact OE1-NH2 2.65Å; E199-R202 IonicContact OE2-CZ 3.09Å; E199-R202 IonicContact OE2-NH2 3.03Å; E199-R202 PolarHBondContact OE2-NH2 2.84Å; E199-Y203 WeakPolarHBondContact O-CB 3.41Å; E199-Y203 PolarHBondContact O-N 3.36Å
200	S	93.9	Very high	93.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-37.8	175.9	80.3	0	0	0	0	112.2	I196 T197 Y203 F204 M218 L220	I196-S200 WeakPolarHBondContact O-CB 3.2Å; I196-S200 PolarHBondContact O-N 3.4Å; T197-S200 PolarHBondContact O-N 3.19Å; T197-S200 VanDerWaalsContact O-N 3.1Å; T197-S200 PolarHBondContact O-OG 3.34Å; S200-Y203 WeakPolarHBondContact O-CB 3.19Å; S200-Y203 PolarHBondContact O-N 2.91Å; S200-F204 PolarHBondContact O-N 3.4Å; S200-M218 VanDerWaalsContact O-SD 3.4Å; S200-L220 WeakPolarHBondContact OG-CD2 3.42Å
201	I	92.9	Very high	93.3	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-71.3	-43.4	176.7	-76.6	163.9	0	0	0	111.3	T197 A198 E199 Y203 F204 R205 Q332 L333 M336	T197-I201 HydrophobicContact CG2-CD1 4.21Å; T197-I201 PolarHBondContact O-N 2.96Å; T197-I201 VanDerWaalsContact O-N 3.08Å; A198-I201 PolarHBondContact O-N 2.83Å; E199-I201 VanDerWaalsContact C-N 3.34Å; E199-I201 PolarHBondContact O-N 2.86Å; I201-Y203 PolarHBondContact O-N 3.35Å; I201-F204 PolarHBondContact O-N 3.4Å; I201-R205 HydrophobicContact CG2-CG 4.45Å; I201-R205 WeakPolarHBondContact O-CB 3.22Å; I201-R205 PolarHBondContact O-N 2.93Å; I201-Q332 HydrophobicContact CD1-CB 3.35Å; I201-Q332 HydrophobicContact CD1-CG 3.9Å; I201-L333 HydrophobicContact CD1-CD2 4.25Å; I201-L333 HydrophobicContact CD1-CG 4.36Å; I201-L333 HydrophobicContact CG1-CD2 3.95Å; I201-M336 HydrophobicContact CG1-CB 4.3Å; I201-M336 HydrophobicContact CG1-CE 4.41Å; I201-M336 HydrophobicContact CG1-CG 4.24Å; I201-M336 HydrophobicContact CG2-CB 4.44Å; I201-M336 HydrophobicContact CG2-CG 4.03Å
202	R	92.8	Very high	93.1	Very high	154 Å²	154	45.8 Å²	45.8	58%	0.581	21%	0.213	S	C	*	.	H	α-helix	trans	-58.6	-40.9	173.3	-169.4	169.6	69.9	106.4	-0.9	110.6	A198 E199 S206	A198-R202 WeakPolarHBondContact O-CB 3.48Å; A198-R202 PolarHBondContact O-N 3.43Å; E199-R202 PolarHBondContact O-N 3.17Å; E199-R202 IonicContact OE1-CZ 2.72Å; E199-R202 IonicContact OE1-NE 3.1Å; E199-R202 PolarHBondContact OE1-NE 2.94Å; E199-R202 IonicContact OE1-NH2 2.69Å; E199-R202 PolarHBondContact OE1-NH2 2.65Å; E199-R202 IonicContact OE2-CZ 3.09Å; E199-R202 IonicContact OE2-NH2 3.03Å; E199-R202 PolarHBondContact OE2-NH2 2.84Å; R202-S206 WeakPolarHBondContact O-CB 3.4Å; R202-S206 PolarHBondContact O-N 3.25Å; R202-S206 VanDerWaalsContact O-N 3.16Å
203	Y	94.2	Very high	92.9	Very high	13 Å²	13	53.9 Å²	53.9	5%	0.051	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-50.8	172.8	-178.6	-93.4	0	0	0	112.5	R137 A139 F141 E159 E199 S200 I201 S206 S207 V216 M218	R137-Y203 PolarHBondContact NE-OH 2.87Å; R137-Y203 PolarHBondContact NH2-OH 2.87Å; A139-Y203 HydrophobicContact CB-CD1 3.76Å; A139-Y203 HydrophobicContact CB-CE1 3.54Å; A139-Y203 HydrophobicContact CB-CE2 4.37Å; A139-Y203 HydrophobicContact CB-CG 4.29Å; F141-Y203 HydrophobicContact CZ-CG 4.08Å; E159-Y203 HydrophobicContact CB-CD2 3.63Å; E159-Y203 HydrophobicContact CB-CE2 3.33Å; E159-Y203 HydrophobicContact CB-CG 4.47Å; E159-Y203 HydrophobicContact CG-CD2 3.57Å; E159-Y203 HydrophobicContact CG-CE2 3.84Å; E159-Y203 HydrophobicContact CG-CG 4.34Å; E199-Y203 WeakPolarHBondContact O-CB 3.41Å; E199-Y203 PolarHBondContact O-N 3.36Å; S200-Y203 WeakPolarHBondContact O-CB 3.19Å; S200-Y203 PolarHBondContact O-N 2.91Å; I201-Y203 PolarHBondContact O-N 3.35Å; Y203-S206 PolarHBondContact O-N 3.33Å; Y203-S207 WeakPolarHBondContact O-CA 3.35Å; Y203-S207 WeakPolarHBondContact O-CB 3.48Å; Y203-S207 PolarHBondContact O-N 2.82Å; Y203-V216 HydrophobicContact CE1-CG1 4.24Å; Y203-M218 HydrophobicContact CD1-SD 4.31Å
204	F	94.4	Very high	92.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-49.9	-175.8	-167.1	-75.6	0	0	0	111.9	N45 I47 S200 I201 S206 S207 K208 V216 M218 M336 L337 E342	N45-F204 HydrophobicContact CB-CE2 4.36Å; I47-F204 HydrophobicContact CD1-CE2 4.39Å; S200-F204 PolarHBondContact O-N 3.4Å; I201-F204 PolarHBondContact O-N 3.4Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 2.86Å; F204-S207 WeakPolarHBondContact O-CB 3.33Å; F204-S207 PolarHBondContact O-N 3.28Å; F204-S207 VanDerWaalsContact O-N 3.12Å; F204-K208 HydrophobicContact CD1-CG 3.95Å; F204-K208 HydrophobicContact CE1-CG 3.61Å; F204-K208 HydrophobicContact CZ-CG 4.21Å; F204-K208 PolarHBondContact O-N 2.95Å; F204-V216 HydrophobicContact CD2-CB 4.11Å; F204-V216 HydrophobicContact CD2-CG1 3.87Å; F204-V216 HydrophobicContact CD2-CG2 4.26Å; F204-V216 HydrophobicContact CE2-CB 3.93Å; F204-V216 HydrophobicContact CE2-CG1 4.15Å; F204-V216 HydrophobicContact CE2-CG2 4.2Å; F204-M218 HydrophobicContact CB-CE 4.21Å; F204-M218 HydrophobicContact CB-SD 4.42Å; F204-M218 HydrophobicContact CD2-CE 4.1Å; F204-M336 HydrophobicContact CB-CE 3.89Å; F204-M336 HydrophobicContact CB-SD 3.98Å; F204-M336 HydrophobicContact CD1-CE 3.85Å; F204-M336 HydrophobicContact CD1-SD 3.19Å; F204-M336 WeakPolarHBondContact CD1-SD 3.23Å; F204-M336 HydrophobicContact CD2-CE 4.15Å; F204-M336 HydrophobicContact CE1-CE 4.38Å; F204-M336 HydrophobicContact CE1-SD 3.72Å; F204-M336 HydrophobicContact CG-CE 3.71Å; F204-M336 HydrophobicContact CG-SD 3.68Å; F204-L337 HydrophobicContact CE1-CD2 3.84Å; F204-L337 HydrophobicContact CE2-CD2 3.96Å; F204-L337 HydrophobicContact CZ-CD2 3.46Å; F204-L337 VanDerWaalsContact CZ-CD2 3.46Å; F204-E342 HydrophobicContact CE1-CB 4.23Å; F204-E342 HydrophobicContact CE1-CG 4.22Å; F204-E342 HydrophobicContact CZ-CB 4.12Å; F204-E342 HydrophobicContact CZ-CG 4.33Å
205	R	94.1	Very high	93	Very high	109 Å²	109	57.8 Å²	57.8	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-57.7	-44.9	176.4	-71.9	179.1	172.9	151.5	-4.7	111.1	I201 R209 M336 E339 T340	I201-R205 HydrophobicContact CG2-CG 4.45Å; I201-R205 WeakPolarHBondContact O-CB 3.22Å; I201-R205 PolarHBondContact O-N 2.93Å; R205-R209 WeakPolarHBondContact O-CB 3.04Å; R205-R209 PolarHBondContact O-N 2.81Å; R205-M336 HydrophobicContact CG-CG 3.87Å; R205-E339 IonicContact CZ-OE2 2.92Å; R205-E339 IonicContact NE-OE2 3.91Å; R205-E339 IonicContact NH2-OE1 2.83Å; R205-E339 PolarHBondContact NH2-OE1 3.4Å; R205-E339 IonicContact NH2-OE2 2.73Å; R205-E339 PolarHBondContact NH2-OE2 2.97Å; R205-T340 HydrophobicContact CG-CG2 4.39Å
206	S	93.9	Very high	93.2	Very high	43 Å²	43	56.6 Å²	56.6	30%	0.301	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-40.6	175	-175.8	0	0	0	0	112.7	R202 Y203 F204 R209 I210	R202-S206 WeakPolarHBondContact O-CB 3.4Å; R202-S206 PolarHBondContact O-N 3.25Å; R202-S206 VanDerWaalsContact O-N 3.16Å; Y203-S206 PolarHBondContact O-N 3.33Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 2.86Å; S206-R209 PolarHBondContact O-N 3.5Å; S206-I210 VanDerWaalsContact O-CG1 3.29Å; S206-I210 WeakPolarHBondContact O-CG1 3.32Å; S206-I210 PolarHBondContact O-N 2.92Å; S206-I210 VanDerWaalsContact O-N 3.1Å
207	S	94.3	Very high	93.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-50.8	-179.9	179.8	0	0	0	0	111.6	R137 Y203 F204 I210 Y211 V216	R137-S207 WeakPolarHBondContact CD-OG 3.49Å; R137-S207 PolarHBondContact NE-OG 2.83Å; Y203-S207 WeakPolarHBondContact O-CA 3.35Å; Y203-S207 WeakPolarHBondContact O-CB 3.48Å; Y203-S207 PolarHBondContact O-N 2.82Å; F204-S207 WeakPolarHBondContact O-CB 3.33Å; F204-S207 PolarHBondContact O-N 3.28Å; F204-S207 VanDerWaalsContact O-N 3.12Å; S207-I210 PolarHBondContact O-N 3.27Å; S207-Y211 PolarHBondContact O-N 2.91Å; S207-V216 WeakPolarHBondContact OG-CG2 3.4Å
208	K	91.6	Very high	93.6	Very high	19 Å²	19	56.5 Å²	56.5	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-36.3	177.9	-70.5	-66.5	-175.9	168	0	112.8	N45 F204 I210 Y211 P212 R214 E342	N45-K208 WeakPolarHBondContact OD1-CE 3.43Å; N45-K208 PolarHBondContact OD1-NZ 3.42Å; F204-K208 HydrophobicContact CD1-CG 3.95Å; F204-K208 HydrophobicContact CE1-CG 3.61Å; F204-K208 HydrophobicContact CZ-CG 4.21Å; F204-K208 PolarHBondContact O-N 2.95Å; K208-I210 VanDerWaalsContact C-N 3.32Å; K208-I210 PolarHBondContact O-N 2.8Å; K208-Y211 CarbonylContact O-C 3.57Å; K208-P212 PolarHBondContact NZ-O 3.43Å; K208-P212 VanDerWaalsContact O-CA 3.23Å; K208-P212 WeakPolarHBondContact O-CA 3.46Å; K208-P212 WeakPolarHBondContact O-CD 3.23Å; K208-P212 WeakPolarHBondContact O-CG 3.36Å; K208-P212 VanDerWaalsContact O-N 3.12Å; K208-R214 PolarHBondContact NZ-O 3.43Å; K208-E342 HydrophobicContact CD-CG 4.27Å; K208-E342 VanDerWaalsContact CD-OE1 3.3Å; K208-E342 WeakPolarHBondContact CD-OE1 3.4Å; K208-E342 WeakPolarHBondContact CE-OE1 3.24Å; K208-E342 HydrophobicContact CG-CG 4.46Å; K208-E342 IonicContact NZ-OE1 2.65Å; K208-E342 PolarHBondContact NZ-OE1 3.49Å; K208-E342 IonicContact NZ-OE2 3.48Å; K208-E342 PolarHBondContact NZ-OE2 3.01Å; K208-E342 VanDerWaalsContact NZ-OE2 3.1Å
209	R	93.6	Very high	93.9	Very high	200 Å²	200	54.4 Å²	54.4	76%	0.755	24%	0.239	S	C	*	.	H	α-helix	trans	-61.8	-37	174.5	-171.3	179.6	68.3	170.4	1.7	113.2	R205 S206	R205-R209 WeakPolarHBondContact O-CB 3.04Å; R205-R209 PolarHBondContact O-N 2.81Å; S206-R209 PolarHBondContact O-N 3.5Å
210	I	94.4	Very high	94.2	Very high	93 Å²	93	53 Å²	53	48%	0.477	23%	0.233	S	C	.	.	H	α-helix	trans	-90.8	-30.8	-177.1	-55.8	165.5	0	0	0	111.8	S206 S207 K208	S206-I210 VanDerWaalsContact O-CG1 3.29Å; S206-I210 WeakPolarHBondContact O-CG1 3.32Å; S206-I210 PolarHBondContact O-N 2.92Å; S206-I210 VanDerWaalsContact O-N 3.1Å; S207-I210 PolarHBondContact O-N 3.27Å; K208-I210 VanDerWaalsContact C-N 3.32Å; K208-I210 PolarHBondContact O-N 2.8Å
211	Y	93.3	Very high	94.3	Very high	105 Å²	105	53 Å²	53	41%	0.412	23%	0.233	S	C	.	.			trans	-138.8	73.1	-179.9	-53.1	-94.8	0	0	0	111.5	S207 K208 H213 R214	S207-Y211 PolarHBondContact O-N 2.91Å; K208-Y211 CarbonylContact O-C 3.57Å; Y211-H213 VanDerWaalsContact C-N 3.32Å; Y211-H213 PolarHBondContact O-N 2.88Å; Y211-R214 PolarHBondContact O-N 3.39Å
212	P	89.5	Confident	94.5	Very high	69 Å²	69	52.6 Å²	52.6	45%	0.448	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-47.2	-173.2	-27.5	33.5	0	0	0	113.6	K208 R214	K208-P212 PolarHBondContact NZ-O 3.43Å; K208-P212 VanDerWaalsContact O-CA 3.23Å; K208-P212 WeakPolarHBondContact O-CA 3.46Å; K208-P212 WeakPolarHBondContact O-CD 3.23Å; K208-P212 WeakPolarHBondContact O-CG 3.36Å; K208-P212 VanDerWaalsContact O-N 3.12Å; P212-R214 VanDerWaalsContact C-N 3.32Å; P212-R214 PolarHBondContact O-N 3.48Å
213	H	88.9	Confident	94.6	Very high	171 Å²	171	45.2 Å²	45.2	79%	0.792	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	2.2	-176.1	-49	-56.5	0	0	0	114.9	Y211	Y211-H213 VanDerWaalsContact C-N 3.32Å; Y211-H213 PolarHBondContact O-N 2.88Å
214	R	92.1	Very high	94.6	Very high	109 Å²	109	44.6 Å²	44.6	41%	0.411	20%	0.201	S	C	.	.	S	Bend	trans	-90.9	131.2	174.2	-70.9	-169.7	-176.4	-129.9	4	110.2	K208 Y211 P212	K208-R214 PolarHBondContact NZ-O 3.43Å; Y211-R214 PolarHBondContact O-N 3.39Å; P212-R214 VanDerWaalsContact C-N 3.32Å; P212-R214 PolarHBondContact O-N 3.48Å
215	P	95.7	Very high	94.7	Very high	17 Å²	17	44.6 Å²	44.6	11%	0.11	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-74.5	147.7	176.7	33.6	-37.3	0	0	0	110.8	R43 P44 N45 Y136 R137	R43-P215 HydrophobicContact CB-CB 4.33Å; R43-P215 HydrophobicContact CB-CG 4.09Å; P44-P215 WeakPolarHBondContact O-CB 3.48Å; N45-P215 WeakPolarHBondContact OD1-CA 3.32Å; Y136-P215 WeakPolarHBondContact CA-O 3.15Å; Y136-P215 HydrophobicContact CD1-CB 3.81Å; Y136-P215 HydrophobicContact CD1-CG 3.76Å; Y136-P215 HydrophobicContact CD2-CG 3.92Å; Y136-P215 HydrophobicContact CE1-CB 3.46Å; Y136-P215 VanDerWaalsContact CE1-CB 3.46Å; Y136-P215 HydrophobicContact CE1-CG 3.68Å; Y136-P215 HydrophobicContact CE2-CB 4.43Å; Y136-P215 HydrophobicContact CE2-CG 3.82Å; Y136-P215 HydrophobicContact CG-CB 4.43Å; Y136-P215 HydrophobicContact CG-CG 3.86Å; R137-P215 PolarHBondContact N-O 3.16Å
216	V	96.9	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.5	177.9	177.2	0	0	0	0	109.9	N45 I46 R137 Y203 F204 S207 M218	N45-V216 CarbonylContact C-O 3.48Å; N45-V216 VanDerWaalsContact CA-O 3.26Å; N45-V216 WeakPolarHBondContact CA-O 3.4Å; N45-V216 HydrophobicContact CB-CB 4.43Å; N45-V216 PolarHBondContact OD1-N 2.84Å; N45-V216 VanDerWaalsContact OD1-N 3.08Å; I46-V216 PolarHBondContact N-O 2.92Å; R137-V216 HydrophobicContact CB-CG2 4.37Å; R137-V216 WeakPolarHBondContact O-CA 3.02Å; Y203-V216 HydrophobicContact CE1-CG1 4.24Å; F204-V216 HydrophobicContact CD2-CB 4.11Å; F204-V216 HydrophobicContact CD2-CG1 3.87Å; F204-V216 HydrophobicContact CD2-CG2 4.26Å; F204-V216 HydrophobicContact CE2-CB 3.93Å; F204-V216 HydrophobicContact CE2-CG1 4.15Å; F204-V216 HydrophobicContact CE2-CG2 4.2Å; S207-V216 WeakPolarHBondContact OG-CG2 3.4Å; V216-M218 HydrophobicContact CG1-CB 4.18Å
217	L	97.9	Very high	94.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.1	161.1	170.4	70.9	0	0	0	106.9	I46 F127 L131 Y136 R137 T138 A139 W157 I405	I46-L217 HydrophobicContact CB-CD1 3.87Å; I46-L217 HydrophobicContact CG2-CD1 3.97Å; I46-L217 CarbonylContact O-C 3.53Å; I46-L217 WeakPolarHBondContact O-CA 3.36Å; F127-L217 HydrophobicContact CD2-CD2 4.14Å; F127-L217 HydrophobicContact CE2-CD1 4.44Å; F127-L217 HydrophobicContact CE2-CD2 4.24Å; L131-L217 HydrophobicContact CB-CD2 4.07Å; L131-L217 HydrophobicContact CD2-CB 4.15Å; L131-L217 HydrophobicContact CD2-CD1 4.06Å; L131-L217 HydrophobicContact CD2-CD2 3.92Å; L131-L217 HydrophobicContact CD2-CG 4.25Å; Y136-L217 HydrophobicContact CD1-CB 3.99Å; R137-L217 PolarHBondContact O-N 2.78Å; T138-L217 CarbonylContact C-O 3.38Å; T138-L217 WeakPolarHBondContact CA-O 3.26Å; T138-L217 HydrophobicContact CG2-CB 4.12Å; T138-L217 HydrophobicContact CG2-CD2 3.88Å; A139-L217 PolarHBondContact N-O 3.33Å; W157-L217 HydrophobicContact CH2-CD2 4.03Å; W157-L217 HydrophobicContact CZ3-CD2 3.86Å; W157-L217 HydrophobicContact CZ3-CG 4.31Å; L217-I405 HydrophobicContact CD1-CG2 4.21Å
218	M	97	Very high	94.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.8	-179.5	-163.3	151	75.6	0	0	110	I46 I47 L48 A139 F141 S200 Y203 F204 V216 L220 L333	I46-M218 PolarHBondContact O-N 3.44Å; I47-M218 CarbonylContact C-O 3.51Å; I47-M218 WeakPolarHBondContact CA-O 3.2Å; I47-M218 HydrophobicContact CD1-CE 4Å; I47-M218 HydrophobicContact CG1-CB 4.33Å; I47-M218 HydrophobicContact CG1-CE 4.42Å; L48-M218 PolarHBondContact N-O 2.89Å; A139-M218 HydrophobicContact CB-CG 4.46Å; A139-M218 WeakPolarHBondContact O-CA 3.5Å; F141-M218 HydrophobicContact CD2-CG 4.1Å; F141-M218 HydrophobicContact CE2-CG 3.79Å; F141-M218 HydrophobicContact CE2-SD 3.86Å; S200-M218 VanDerWaalsContact O-SD 3.4Å; Y203-M218 HydrophobicContact CD1-SD 4.31Å; F204-M218 HydrophobicContact CB-CE 4.21Å; F204-M218 HydrophobicContact CB-SD 4.42Å; F204-M218 HydrophobicContact CD2-CE 4.1Å; V216-M218 HydrophobicContact CG1-CB 4.18Å; M218-L220 HydrophobicContact CE-CD1 4.14Å; M218-L220 HydrophobicContact CG-CD1 3.99Å; M218-L333 HydrophobicContact CE-CD2 4.21Å
219	V	98.4	Very high	94.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.6	171.7	-173.6	0	0	0	0	108.9	L48 F127 A139 F140 F141 W157	L48-V219 HydrophobicContact CB-CG1 4.4Å; L48-V219 HydrophobicContact CB-CG2 4.3Å; L48-V219 HydrophobicContact CD2-CG1 4.19Å; L48-V219 HydrophobicContact CD2-CG2 4.44Å; L48-V219 HydrophobicContact CG-CG1 4.35Å; L48-V219 WeakPolarHBondContact O-CA 3.34Å; F127-V219 HydrophobicContact CE2-CG2 4.09Å; F127-V219 HydrophobicContact CZ-CG2 4.22Å; A139-V219 PolarHBondContact O-N 3.33Å; F140-V219 HydrophobicContact CD2-CB 3.61Å; F140-V219 HydrophobicContact CD2-CG1 3.9Å; F140-V219 HydrophobicContact CD2-CG2 4.09Å; F140-V219 HydrophobicContact CE2-CB 3.85Å; F140-V219 HydrophobicContact CE2-CG1 3.56Å; F140-V219 HydrophobicContact CE2-CG2 4.41Å; F140-V219 HydrophobicContact CG-CB 4.31Å; F140-V219 HydrophobicContact CZ-CG1 4.18Å; F141-V219 PolarHBondContact N-O 3.33Å; W157-V219 HydrophobicContact CH2-CG2 3.64Å; W157-V219 HydrophobicContact CZ3-CG2 3.96Å
220	L	97.5	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	101.7	169.6	-65.7	89.9	0	0	0	107.9	I47 L48 L50 S200 M218 L333	I47-L220 HydrophobicContact CG2-CD1 3.72Å; L48-L220 PolarHBondContact O-N 2.88Å; L50-L220 PolarHBondContact N-O 3.33Å; S200-L220 WeakPolarHBondContact OG-CD2 3.42Å; M218-L220 HydrophobicContact CE-CD1 4.14Å; M218-L220 HydrophobicContact CG-CD1 3.99Å; L220-L333 HydrophobicContact CD1-CD2 4.49Å; L220-L333 HydrophobicContact CD2-CD1 3.66Å; L220-L333 HydrophobicContact CD2-CD2 4.17Å; L220-L333 HydrophobicContact CD2-CG 4.47Å
221	S	97.3	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	95.1	172.8	-173.2	0	0	0	0	110.8	L50 R92 F141 G142 K143	L50-S221 CarbonylContact O-C 3.53Å; L50-S221 VanDerWaalsContact O-CA 3.32Å; L50-S221 WeakPolarHBondContact O-CA 3.45Å; R92-S221 PolarHBondContact NH1-OG 3.46Å; F141-S221 PolarHBondContact O-N 2.97Å; G142-S221 CarbonylContact C-O 3.43Å; G142-S221 VanDerWaalsContact CA-O 3.31Å; G142-S221 WeakPolarHBondContact CA-O 3.41Å; K143-S221 PolarHBondContact N-O 3.43Å; K143-S221 WeakPolarHBondContact O-CB 3.24Å; K143-S221 PolarHBondContact O-OG 2.87Å; K143-S221 VanDerWaalsContact O-OG 3.05Å
222	H	96.1	Very high	94.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.111	C	C	.	.			trans	-63.2	160.5	172.9	-60.1	-92.9	0	0	0	111.1	L50 V290	L50-H222 PolarHBondContact O-N 3.49Å; H222-V290 HydrophobicContact CB-CG2 4.11Å
223	A	95	Very high	94.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.			trans	-95.5	-8.1	173	0	0	0	0	0	112.7	L192 H226	L192-A223 HydrophobicContact CD2-CB 3.85Å; A223-H226 WeakPolarHBondContact O-CB 3.3Å; A223-H226 PolarHBondContact O-N 2.9Å
224	A	94.8	Very high	94.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	145.7	178.5	0	0	0	0	0	112.1	T51 D52 F169 T286 L287 V290	T51-A224 VanDerWaalsContact CB-O 3.31Å; T51-A224 WeakPolarHBondContact CB-O 3.18Å; D52-A224 PolarHBondContact N-O 2.95Å; D52-A224 CarbonylContact O-C 3.4Å; F169-A224 HydrophobicContact CE1-CB 3.91Å; F169-A224 HydrophobicContact CZ-CB 3.92Å; A224-T286 WeakPolarHBondContact CB-O 3.43Å; A224-L287 HydrophobicContact CB-CD2 4.19Å; A224-V290 HydrophobicContact CB-CG2 3.83Å
225	P	95.6	Very high	94.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.9	38	-5.9	34.9	-30.3	0	0	0	114.9	D52 D53 Q54 R283 T286 L287	D52-P225 CarbonylContact O-C 3.51Å; D52-P225 WeakPolarHBondContact O-CD 3.21Å; D53-P225 WeakPolarHBondContact O-CG 3.38Å; Q54-P225 HydrophobicContact CB-CG 4.15Å; Q54-P225 HydrophobicContact CG-CG 4.35Å; P225-R283 HydrophobicContact CB-CB 3.92Å; P225-R283 HydrophobicContact CB-CG 4.09Å; P225-R283 PolarHBondContact O-NH1 2.65Å; P225-R283 VanDerWaalsContact O-NH1 3.12Å; P225-T286 WeakPolarHBondContact CA-OG1 3.22Å; P225-L287 HydrophobicContact CB-CD2 4.09Å; P225-L287 HydrophobicContact CB-CG 4.09Å; P225-L287 HydrophobicContact CG-CD1 4.39Å; P225-L287 HydrophobicContact CG-CD2 3.95Å; P225-L287 HydrophobicContact CG-CG 4.23Å
226	H	93.9	Very high	93.9	Very high	34 Å²	34	14.2 Å²	14.2	16%	0.157	8%	0.081	C	C	.	.	S	Bend	trans	-75.5	134.1	178.8	-173.7	-53.4	0	0	0	112.4	D52 D53 F169 A223 K367	D52-H226 HydrophobicContact CB-CB 4.03Å; D52-H226 WeakPolarHBondContact O-CB 3.39Å; D52-H226 PolarHBondContact O-N 2.79Å; D52-H226 WeakPolarHBondContact OD2-CB 3.34Å; D52-H226 IonicContact OD2-CD2 2.85Å; D52-H226 PolarHBondContact OD2-CD2 2.83Å; D52-H226 IonicContact OD2-CG 3.95Å; D53-H226 HydrophobicContact CB-CB 4.2Å; D53-H226 VanDerWaalsContact CG-CD2 3.41Å; D53-H226 IonicContact OD1-CD2 3.48Å; D53-H226 PolarHBondContact OD1-CD2 2.7Å; D53-H226 IonicContact OD1-CG 3.54Å; D53-H226 IonicContact OD1-NE2 3.51Å; D53-H226 IonicContact OD2-CD2 2.7Å; D53-H226 PolarHBondContact OD2-CD2 3.35Å; D53-H226 IonicContact OD2-CG 2.65Å; D53-H226 IonicContact OD2-NE2 2.77Å; F169-H226 WeakPolarHBondContact CE2-O 3.36Å; A223-H226 WeakPolarHBondContact O-CB 3.3Å; A223-H226 PolarHBondContact O-N 2.9Å; H226-K367 PolarHBondContact CD2-NZ 2.91Å; H226-K367 VanDerWaalsContact CD2-NZ 3.32Å; H226-K367 PolarHBondContact NE2-NZ 3.46Å
227	G	88	Confident	93.6	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	12%	0.116	C	C	.	.	S	Bend	trans	-65.8	157.1	-179	0	0	0	0	0	116.8	E229	G227-E229 WeakPolarHBondContact CA-OE1 3.38Å
228	P	90.4	Very high	93.3	Very high	36 Å²	36	22.3 Å²	22.3	23%	0.234	13%	0.128	C	C	.	.	S	Bend	cis	-69.2	134.7	1.8	30.5	-35.5	0	0	0	111.1	F169 D230	F169-P228 WeakPolarHBondContact CD2-O 3.36Å; F169-P228 VanDerWaalsContact CE2-O 3.24Å; F169-P228 WeakPolarHBondContact CE2-O 3.26Å; P228-D230 PolarHBondContact O-N 3.33Å
229	E	93.1	Very high	93.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.			trans	-84.2	52.5	-163.4	-56.3	80.1	-175.1	0	0	111.6	G227 S231 L279 K282 R283 K365 H773 W774	G227-E229 WeakPolarHBondContact CA-OE1 3.38Å; E229-S231 PolarHBondContact O-N 3.27Å; E229-L279 HydrophobicContact CG-CD1 3.77Å; E229-L279 WeakPolarHBondContact OE1-CD1 3.46Å; E229-K282 HydrophobicContact CB-CB 3.72Å; E229-R283 HydrophobicContact CG-CG 4.02Å; E229-K365 IonicContact OE1-NZ 3.99Å; E229-K365 PolarHBondContact OE1-NZ 3.32Å; E229-K365 IonicContact OE2-NZ 2.72Å; E229-K365 PolarHBondContact OE2-NZ 3.38Å; E229-H773 VanDerWaalsContact CD-NE2 3.27Å; E229-H773 IonicContact OE1-NE2 3.38Å; E229-H773 IonicContact OE2-CE1 3.61Å; E229-H773 IonicContact OE2-NE2 4Å; E229-H773 PolarHBondContact OE2-NE2 3.4Å; E229-W774 PolarHBondContact OE2-NE1 2.93Å
230	D	92.9	Very high	92.5	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	16%	0.161	C	C	.	.			trans	-85.9	93.2	-172.7	-67	-41.9	0	0	0	111.8	F169 Y170 P228 H775 T776	F169-D230 HydrophobicContact CB-CB 4.33Å; F169-D230 VanDerWaalsContact CB-O 3.25Å; F169-D230 WeakPolarHBondContact CB-O 3.25Å; F169-D230 HydrophobicContact CD2-CB 4.31Å; F169-D230 WeakPolarHBondContact CG-O 3.48Å; Y170-D230 HydrophobicContact CD2-CB 3.91Å; Y170-D230 HydrophobicContact CE2-CB 3.94Å; P228-D230 PolarHBondContact O-N 3.33Å; D230-H775 PolarHBondContact OD1-N 2.82Å; D230-H775 IonicContact OD2-CD2 3.17Å; D230-T776 HydrophobicContact CB-CG2 4.17Å; D230-T776 PolarHBondContact OD1-N 3.02Å
231	S	92.6	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.			trans	-64.5	170.5	-179.7	69.3	0	0	0	0	114.9	Y170 E229 T776	Y170-S231 PolarHBondContact OH-O 3.29Å; E229-S231 PolarHBondContact O-N 3.27Å; S231-T776 PolarHBondContact N-OG1 3.2Å
232	A	91.7	Very high	91.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.			trans	-62.9	148.9	158.2	0	0	0	0	0	110.8	Y187 Y191 Q234 Y235	Y187-A232 HydrophobicContact CD2-CB 4.02Å; Y187-A232 HydrophobicContact CE2-CB 3.39Å; Y191-A232 HydrophobicContact CD1-CB 4.23Å; Y191-A232 HydrophobicContact CE1-CB 3.76Å; Y191-A232 HydrophobicContact CE2-CB 4.46Å; Y191-A232 PolarHBondContact OH-N 2.85Å; A232-Q234 PolarHBondContact O-N 3.36Å; A232-Y235 HydrophobicContact CB-CD2 3.77Å; A232-Y235 HydrophobicContact CB-CE2 3.74Å; A232-Y235 PolarHBondContact O-N 3.2Å
233	P	91.3	Very high	91.3	Very high	63 Å²	63	38.9 Å²	38.9	41%	0.409	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-61.4	-38	-174.6	-25	35.4	0	0	0	114.4	Y187 Y235 S236	Y187-P233 HydrophobicContact CD1-CG 4.03Å; Y187-P233 HydrophobicContact CD2-CG 4.24Å; Y187-P233 HydrophobicContact CG-CG 3.74Å; P233-Y235 PolarHBondContact O-N 3.2Å; P233-S236 WeakPolarHBondContact O-CB 3.41Å; P233-S236 PolarHBondContact O-N 3.19Å; P233-S236 PolarHBondContact O-OG 3.44Å
234	Q	89.8	Confident	91	Very high	95 Å²	95	43.6 Å²	43.6	44%	0.444	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-65	-10.3	-176.9	69.9	-82.2	9.2	0	0	114.6	Y187 A232	Y187-Q234 VanDerWaalsContact CZ-OE1 3.28Å; Y187-Q234 PolarHBondContact OH-NE2 3.29Å; Y187-Q234 PolarHBondContact OH-OE1 3.07Å; A232-Q234 PolarHBondContact O-N 3.36Å
235	Y	92.4	Very high	90.9	Very high	27 Å²	27	43.6 Å²	43.6	11%	0.106	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-107.1	4.5	176.1	-44.9	-60.4	0	0	0	113.4	A232 P233 D237 A238 Q285 L288 S289 D292	A232-Y235 HydrophobicContact CB-CD2 3.77Å; A232-Y235 HydrophobicContact CB-CE2 3.74Å; A232-Y235 PolarHBondContact O-N 3.2Å; P233-Y235 PolarHBondContact O-N 3.2Å; Y235-D237 PolarHBondContact O-N 2.77Å; Y235-A238 WeakPolarHBondContact O-CB 3.48Å; Y235-A238 PolarHBondContact O-N 2.92Å; Y235-Q285 WeakPolarHBondContact O-CG 3.42Å; Y235-Q285 PolarHBondContact O-NE2 2.9Å; Y235-L288 HydrophobicContact CD1-CB 3.76Å; Y235-L288 HydrophobicContact CD1-CD1 3.49Å; Y235-L288 VanDerWaalsContact CD1-CD1 3.49Å; Y235-L288 HydrophobicContact CD1-CG 4.28Å; Y235-L288 HydrophobicContact CD2-CB 3.97Å; Y235-L288 HydrophobicContact CE1-CB 3.76Å; Y235-L288 HydrophobicContact CE1-CD1 4.17Å; Y235-L288 HydrophobicContact CE2-CB 4.01Å; Y235-L288 HydrophobicContact CG-CB 3.88Å; Y235-L288 HydrophobicContact CG-CD1 3.82Å; Y235-L288 HydrophobicContact CG-CG 4.49Å; Y235-S289 WeakPolarHBondContact CE2-OG 3.32Å; Y235-D292 PolarHBondContact OH-OD2 3.45Å
236	S	89.7	Confident	90.9	Very high	24 Å²	24	47.8 Å²	47.8	17%	0.168	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-28.3	-174.4	59.8	0	0	0	0	114.3	P233 Q285 P778	P233-S236 WeakPolarHBondContact O-CB 3.41Å; P233-S236 PolarHBondContact O-N 3.19Å; P233-S236 PolarHBondContact O-OG 3.44Å; S236-Q285 VanDerWaalsContact C-NE2 3.29Å; S236-Q285 PolarHBondContact O-NE2 2.85Å; S236-P778 WeakPolarHBondContact O-CD 3.45Å
237	D	90.4	Very high	91	Very high	138 Å²	138	46.9 Å²	46.9	74%	0.738	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-6	-172.1	-53.2	-8.9	0	0	0	111.8	Y235	Y235-D237 PolarHBondContact O-N 2.77Å
238	A	92.1	Very high	91.4	Very high	31 Å²	31	49.7 Å²	49.7	26%	0.256	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	156.5	177.9	0	0	0	0	0	111.8	Y235 A240 R281 Q285 L288	Y235-A238 WeakPolarHBondContact O-CB 3.48Å; Y235-A238 PolarHBondContact O-N 2.92Å; A238-A240 VanDerWaalsContact C-N 3.28Å; A238-A240 PolarHBondContact O-N 2.72Å; A238-R281 WeakPolarHBondContact O-CG 3.49Å; A238-Q285 HydrophobicContact CB-CG 4.37Å; A238-Q285 PolarHBondContact O-NE2 2.83Å; A238-L288 HydrophobicContact CB-CD1 4.09Å
239	F	92.1	Very high	91.6	Very high	65 Å²	65	48 Å²	48	29%	0.285	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	30.3	175.2	-58.1	-63	0	0	0	115.4	A63 N241 A242 R281 L284 Q285 L288	A63-F239 HydrophobicContact CB-CE1 4.03Å; A63-F239 HydrophobicContact CB-CE2 4.05Å; A63-F239 HydrophobicContact CB-CZ 3.46Å; A63-F239 VanDerWaalsContact CB-CZ 3.46Å; F239-N241 PolarHBondContact O-N 3.42Å; F239-N241 VanDerWaalsContact O-N 3.12Å; F239-A242 HydrophobicContact CB-CB 3.98Å; F239-A242 WeakPolarHBondContact O-CB 3.46Å; F239-A242 PolarHBondContact O-N 3.38Å; F239-R281 HydrophobicContact CB-CG 4.05Å; F239-R281 WeakPolarHBondContact O-CG 3.44Å; F239-R281 PolarHBondContact O-NE 3.03Å; F239-L284 HydrophobicContact CB-CB 4.48Å; F239-L284 HydrophobicContact CB-CD1 4.48Å; F239-L284 HydrophobicContact CD1-CB 4.46Å; F239-L284 HydrophobicContact CD1-CD1 4.08Å; F239-L284 HydrophobicContact CD2-CB 3.45Å; F239-L284 VanDerWaalsContact CD2-CB 3.45Å; F239-L284 HydrophobicContact CD2-CD1 4.49Å; F239-L284 HydrophobicContact CE1-CD1 4.48Å; F239-L284 HydrophobicContact CE2-CB 3.67Å; F239-L284 HydrophobicContact CG-CB 3.89Å; F239-L284 HydrophobicContact CG-CD1 4.1Å; F239-L284 HydrophobicContact CZ-CB 4.3Å; F239-Q285 HydrophobicContact CD2-CG 4.28Å; F239-L288 HydrophobicContact CD2-CD1 4.42Å; F239-L288 HydrophobicContact CE2-CD1 3.62Å; F239-L288 HydrophobicContact CE2-CD2 4.08Å; F239-L288 HydrophobicContact CE2-CG 3.82Å; F239-L288 HydrophobicContact CZ-CD1 4.31Å; F239-L288 HydrophobicContact CZ-CD2 4.13Å; F239-L288 HydrophobicContact CZ-CG 4.38Å
240	A	86.6	Confident	91.8	Very high	50 Å²	50	49.2 Å²	49.2	41%	0.413	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-47.9	175.3	0	0	0	0	0	113.1	A238 R281	A238-A240 VanDerWaalsContact C-N 3.28Å; A238-A240 PolarHBondContact O-N 2.72Å; A240-R281 PolarHBondContact O-NE 3.27Å; A240-R281 PolarHBondContact O-NH2 3.14Å
241	N	86.4	Confident	92	Very high	153 Å²	153	51 Å²	51	82%	0.818	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	34	-173.4	-58	-11.8	0	0	0	113.4	F239 S243	F239-N241 PolarHBondContact O-N 3.42Å; F239-N241 VanDerWaalsContact O-N 3.12Å; N241-S243 PolarHBondContact O-N 3.24Å; N241-S243 VanDerWaalsContact O-N 3.08Å
242	A	88.1	Confident	92.1	Very high	11 Å²	11	55.8 Å²	55.8	9%	0.091	31%	0.306	C	S	.	.			trans	-76.1	92.6	-176.7	0	0	0	0	0	114	F239 Q244 H245 L284	F239-A242 HydrophobicContact CB-CB 3.98Å; F239-A242 WeakPolarHBondContact O-CB 3.46Å; F239-A242 PolarHBondContact O-N 3.38Å; A242-Q244 VanDerWaalsContact CA-OE1 3.26Å; A242-H245 PolarHBondContact O-ND1 2.92Å; A242-L284 HydrophobicContact CB-CD1 3.98Å
243	S	90.8	Very high	92.1	Very high	71 Å²	71	56.8 Å²	56.8	50%	0.497	32%	0.315	S	S	.	.			trans	-96.5	1.8	179.3	55.6	0	0	0	0	115	N241 H245 I246	N241-S243 PolarHBondContact O-N 3.24Å; N241-S243 VanDerWaalsContact O-N 3.08Å; S243-H245 PolarHBondContact O-N 2.89Å; S243-I246 WeakPolarHBondContact O-CB 3.26Å; S243-I246 WeakPolarHBondContact O-CG1 3.18Å; S243-I246 PolarHBondContact O-N 2.77Å
244	Q	89.4	Confident	92	Very high	100 Å²	100	57.6 Å²	57.6	47%	0.467	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.7	-172.7	-66.6	80.5	2.1	0	0	114.4	L58 A242 I246	L58-Q244 WeakPolarHBondContact O-CB 3.39Å; A242-Q244 VanDerWaalsContact CA-OE1 3.26Å; Q244-I246 VanDerWaalsContact C-N 3.27Å; Q244-I246 PolarHBondContact O-N 2.8Å
245	H	92.8	Very high	92.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.6	175.9	74.6	-74.9	0	0	0	114.3	L58 A242 S243 T247 Y250 N277 Q280 Q360	L58-H245 HydrophobicContact CB-CB 4.1Å; L58-H245 HydrophobicContact CD2-CB 4.17Å; A242-H245 PolarHBondContact O-ND1 2.92Å; S243-H245 PolarHBondContact O-N 2.89Å; H245-T247 VanDerWaalsContact C-N 3.34Å; H245-T247 PolarHBondContact O-N 2.7Å; H245-T247 VanDerWaalsContact O-N 3.15Å; H245-Y250 AromaticContact CD2-CD2 3.96Å; H245-Y250 AromaticContact CD2-CE2 3.58Å; H245-Y250 AromaticContact NE2-CE2 3.61Å; H245-N277 PolarHBondContact CE1-OD1 3.1Å; H245-Q280 HydrophobicContact CB-CB 4.23Å; H245-Q280 HydrophobicContact CB-CG 3.89Å; H245-Q360 PolarHBondContact O-NE2 2.83Å
246	I	95.1	Very high	92	Very high	87 Å²	87	56.6 Å²	56.6	45%	0.446	33%	0.325	S	S	.	.			trans	-88	74.2	179.7	-53.7	177.5	0	0	0	108.7	S243 Q244 Y250	S243-I246 WeakPolarHBondContact O-CB 3.26Å; S243-I246 WeakPolarHBondContact O-CG1 3.18Å; S243-I246 PolarHBondContact O-N 2.77Å; Q244-I246 VanDerWaalsContact C-N 3.27Å; Q244-I246 PolarHBondContact O-N 2.8Å; I246-Y250 HydrophobicContact CB-CD1 4.45Å; I246-Y250 HydrophobicContact CB-CG 4.4Å; I246-Y250 HydrophobicContact CG1-CD1 4.44Å; I246-Y250 HydrophobicContact CG1-CD2 4.46Å; I246-Y250 HydrophobicContact CG1-CE1 4.33Å; I246-Y250 HydrophobicContact CG1-CE2 4.37Å; I246-Y250 HydrophobicContact CG1-CG 4.5Å; I246-Y250 HydrophobicContact CG2-CD1 3.8Å; I246-Y250 HydrophobicContact CG2-CE1 4.25Å; I246-Y250 HydrophobicContact CG2-CG 4.14Å
247	T	95.1	Very high	92.1	Very high	16 Å²	16	57.7 Å²	57.7	10%	0.098	33%	0.329	C	S	.	.			trans	-86.5	168.2	175.5	58.5	0	0	0	0	111.6	E57 H245 S249 Y250 Q360 Y828	E57-T247 HydrophobicContact CG-CG2 4Å; E57-T247 WeakPolarHBondContact OE1-CB 3.42Å; E57-T247 WeakPolarHBondContact OE1-CG2 3.4Å; E57-T247 PolarHBondContact OE1-OG1 3.16Å; H245-T247 VanDerWaalsContact C-N 3.34Å; H245-T247 PolarHBondContact O-N 2.7Å; H245-T247 VanDerWaalsContact O-N 3.15Å; T247-S249 PolarHBondContact O-N 3.48Å; T247-S249 PolarHBondContact OG1-OG 3.46Å; T247-Y250 WeakPolarHBondContact O-CB 3.31Å; T247-Y250 PolarHBondContact O-N 3.41Å; T247-Q360 PolarHBondContact OG1-NE2 2.86Å; T247-Q360 VanDerWaalsContact OG1-NE2 3.07Å; T247-Y828 HydrophobicContact CG2-CE1 4.04Å
248	P	96.5	Very high	92.2	Very high	72 Å²	72	51.1 Å²	51.1	47%	0.468	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.5	178.2	-30.2	38.9	0	0	0	115.7	Y828 L830	P248-Y828 HydrophobicContact CB-CD2 3.95Å; P248-Y828 HydrophobicContact CB-CE2 4.41Å; P248-Y828 HydrophobicContact CB-CG 4.17Å; P248-Y828 HydrophobicContact CG-CD2 3.65Å; P248-Y828 HydrophobicContact CG-CE2 3.61Å; P248-Y828 HydrophobicContact CG-CG 4.17Å; P248-L830 HydrophobicContact CB-CD1 4.26Å
249	S	95.6	Very high	92.1	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.3	172	54.3	0	0	0	0	113.5	T247 N251 Y252 Q360 F361	T247-S249 PolarHBondContact O-N 3.48Å; T247-S249 PolarHBondContact OG1-OG 3.46Å; S249-N251 PolarHBondContact O-N 2.86Å; S249-Y252 WeakPolarHBondContact O-CB 3.38Å; S249-Y252 PolarHBondContact O-N 3.06Å; S249-Q360 CarbonylContact O-C 3.57Å; S249-Q360 WeakPolarHBondContact O-CA 3.14Å; S249-Q360 WeakPolarHBondContact OG-CG 3.45Å; S249-F361 PolarHBondContact O-N 2.83Å
250	Y	96.8	Very high	91.8	Very high	26 Å²	26	49.2 Å²	49.2	10%	0.102	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-62.1	126	175.3	177.8	-90.8	0	0	0	111	H245 I246 T247 Y252 M268 M273 T276 I358	H245-Y250 AromaticContact CD2-CD2 3.96Å; H245-Y250 AromaticContact CD2-CE2 3.58Å; H245-Y250 AromaticContact NE2-CE2 3.61Å; I246-Y250 HydrophobicContact CB-CD1 4.45Å; I246-Y250 HydrophobicContact CB-CG 4.4Å; I246-Y250 HydrophobicContact CG1-CD1 4.44Å; I246-Y250 HydrophobicContact CG1-CD2 4.46Å; I246-Y250 HydrophobicContact CG1-CE1 4.33Å; I246-Y250 HydrophobicContact CG1-CE2 4.37Å; I246-Y250 HydrophobicContact CG1-CG 4.5Å; I246-Y250 HydrophobicContact CG2-CD1 3.8Å; I246-Y250 HydrophobicContact CG2-CE1 4.25Å; I246-Y250 HydrophobicContact CG2-CG 4.14Å; T247-Y250 WeakPolarHBondContact O-CB 3.31Å; T247-Y250 PolarHBondContact O-N 3.41Å; Y250-Y252 PolarHBondContact O-N 3.04Å; Y250-Y252 VanDerWaalsContact O-N 3.08Å; Y250-M268 HydrophobicContact CD2-CE 4.2Å; Y250-M268 HydrophobicContact CE1-CE 4.03Å; Y250-M268 HydrophobicContact CE2-CE 3.61Å; Y250-M273 HydrophobicContact CE1-CE 4.43Å; Y250-T276 PolarHBondContact OH-OG1 2.88Å; Y250-I358 WeakPolarHBondContact CD2-O 3.14Å
251	N	95.9	Very high	91.9	Very high	42 Å²	42	46.8 Å²	46.8	23%	0.225	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	14.8	-174.7	-156.5	21.7	0	0	0	115.4	S249 A253 M268 G359	S249-N251 PolarHBondContact O-N 2.86Å; N251-A253 PolarHBondContact O-N 3.47Å; N251-M268 HydrophobicContact CB-CE 3.96Å; N251-M268 VanDerWaalsContact OD1-CB 3.29Å; N251-M268 WeakPolarHBondContact OD1-CB 3.27Å; N251-M268 PolarHBondContact OD1-N 2.66Å; N251-G359 PolarHBondContact N-O 3.07Å
252	Y	95	Very high	92	Very high	99 Å²	99	39.5 Å²	39.5	39%	0.388	22%	0.219	S	C	.	.			trans	-73.5	89	177.4	-168.7	-89.6	0	0	0	110	S249 Y250 N255 F361 L830	S249-Y252 WeakPolarHBondContact O-CB 3.38Å; S249-Y252 PolarHBondContact O-N 3.06Å; Y250-Y252 PolarHBondContact O-N 3.04Å; Y250-Y252 VanDerWaalsContact O-N 3.08Å; Y252-N255 VanDerWaalsContact CD1-OD1 3.29Å; Y252-N255 WeakPolarHBondContact CD1-OD1 3.48Å; Y252-N255 PolarHBondContact O-ND2 3.14Å; Y252-N255 PolarHBondContact O-OD1 2.88Å; Y252-F361 HydrophobicContact CD1-CD1 4.12Å; Y252-F361 HydrophobicContact CD1-CE1 4.21Å; Y252-F361 CarbonylContact O-C 3.58Å; Y252-F361 VanDerWaalsContact O-CA 3.29Å; Y252-F361 WeakPolarHBondContact O-CA 3.43Å; Y252-L830 HydrophobicContact CD1-CD2 4.35Å; Y252-L830 HydrophobicContact CD2-CD2 4.32Å; Y252-L830 HydrophobicContact CG-CD2 4.17Å
253	A	91.8	Very high	92	Very high	22 Å²	22	44.3 Å²	44.3	18%	0.182	24%	0.235	C	C	.	.			trans	-154.5	154.3	-175.1	0	0	0	0	0	111.6	N251	N251-A253 PolarHBondContact O-N 3.47Å
254	P	90.4	Very high	91.7	Very high	80 Å²	80	49 Å²	49	52%	0.519	24%	0.243	S	C	.	.			cis	-78.3	158.8	-1.5	34.5	-36.1	0	0	0	113.1	P256 T265	P254-P256 VanDerWaalsContact O-CD 3.32Å; P254-P256 WeakPolarHBondContact O-CD 3.27Å; P254-T265 WeakPolarHBondContact CA-O 3.35Å
255	N	91.7	Very high	91.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.224	C	C	.	.			trans	-115.5	87.7	-177.3	-59.5	-96.2	0	0	0	110.7	Y252 D257 K258 M262 R263 F361	Y252-N255 VanDerWaalsContact CD1-OD1 3.29Å; Y252-N255 WeakPolarHBondContact CD1-OD1 3.48Å; Y252-N255 PolarHBondContact O-ND2 3.14Å; Y252-N255 PolarHBondContact O-OD1 2.88Å; N255-D257 PolarHBondContact O-N 3.01Å; N255-K258 HydrophobicContact CB-CB 4.03Å; N255-K258 HydrophobicContact CB-CD 3.96Å; N255-K258 HydrophobicContact CB-CG 4Å; N255-K258 PolarHBondContact O-N 3.11Å; N255-K258 WeakPolarHBondContact OD1-CE 3.44Å; N255-M262 HydrophobicContact CB-CB 3.8Å; N255-M262 PolarHBondContact N-O 3.36Å; N255-R263 WeakPolarHBondContact O-CG 3.31Å; N255-F361 WeakPolarHBondContact OD1-CD1 3.49Å
256	P	89.8	Confident	91.4	Very high	99 Å²	99	46.4 Å²	46.4	64%	0.643	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.4	-180	29.1	-34.9	0	0	0	113	P254 R263	P254-P256 VanDerWaalsContact O-CD 3.32Å; P254-P256 WeakPolarHBondContact O-CD 3.27Å; P256-R263 VanDerWaalsContact O-CZ 3.3Å; P256-R263 PolarHBondContact O-NE 2.82Å; P256-R263 PolarHBondContact O-NH2 3.35Å
257	D	91.1	Very high	91.3	Very high	48 Å²	48	46.1 Å²	46.1	26%	0.257	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.6	-179.1	70.4	-55.3	0	0	0	113.8	N255 F817 N832	N255-D257 PolarHBondContact O-N 3.01Å; D257-F817 VanDerWaalsContact O-CE1 3.31Å; D257-F817 WeakPolarHBondContact O-CE1 3.47Å; D257-F817 WeakPolarHBondContact O-CZ 3.1Å; D257-N832 HydrophobicContact CB-CB 4.06Å; D257-N832 WeakPolarHBondContact O-CB 3.43Å; D257-N832 PolarHBondContact O-ND2 3.09Å; D257-N832 VanDerWaalsContact OD2-CB 3.31Å; D257-N832 WeakPolarHBondContact OD2-CB 3.11Å; D257-N832 PolarHBondContact OD2-N 2.78Å
258	K	93	Very high	91.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-101.9	179.9	-176.8	-58.6	-175.3	-148.1	-54.5	0	111.7	N255 M262 R263 F361 F817 E819 Q829 L830	N255-K258 HydrophobicContact CB-CB 4.03Å; N255-K258 HydrophobicContact CB-CD 3.96Å; N255-K258 HydrophobicContact CB-CG 4Å; N255-K258 PolarHBondContact O-N 3.11Å; N255-K258 WeakPolarHBondContact OD1-CE 3.44Å; K258-M262 HydrophobicContact CB-CB 3.87Å; K258-M262 HydrophobicContact CB-CG 4.13Å; K258-R263 VanDerWaalsContact O-CZ 3.31Å; K258-R263 PolarHBondContact O-NE 2.67Å; K258-R263 PolarHBondContact O-NH2 3.16Å; K258-F361 HydrophobicContact CD-CD1 4.4Å; K258-F361 HydrophobicContact CD-CE1 4.28Å; K258-F361 HydrophobicContact CD-CZ 4.42Å; K258-F817 VanDerWaalsContact C-CE1 3.48Å; K258-E819 WeakPolarHBondContact CA-OE1 3.29Å; K258-Q829 PolarHBondContact NZ-O 2.69Å; K258-L830 PolarHBondContact NZ-O 3.16Å
259	H	90.3	Very high	91.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.			trans	-66.1	163.9	-178.1	67.4	-84.8	0	0	0	112.9	I261 M262 R263 Y371 F813 F817 E819	H259-I261 VanDerWaalsContact C-N 3.25Å; H259-I261 PolarHBondContact O-N 3.26Å; H259-M262 VanDerWaalsContact CE1-CE 3.49Å; H259-M262 WeakPolarHBondContact CE1-CE 3.19Å; H259-M262 WeakPolarHBondContact NE2-CE 3.44Å; H259-M262 PolarHBondContact O-N 2.86Å; H259-R263 PolarHBondContact O-N 3Å; H259-Y371 AromaticContact CE1-CE2 3.96Å; H259-Y371 AromaticContact CE1-CZ 3.93Å; H259-Y371 PolarHBondContact CE1-OH 2.85Å; H259-Y371 PolarHBondContact ND1-OH 3.07Å; H259-F813 HydrophobicContact CB-CD1 3.69Å; H259-F813 HydrophobicContact CB-CD2 3.96Å; H259-F813 HydrophobicContact CB-CE1 3.5Å; H259-F813 HydrophobicContact CB-CE2 3.79Å; H259-F813 HydrophobicContact CB-CG 3.92Å; H259-F813 HydrophobicContact CB-CZ 3.56Å; H259-F813 AromaticContact CD2-CE1 3.51Å; H259-F813 AromaticContact CE1-CE1 3.9Å; H259-F813 AromaticContact CE1-CZ 3.86Å; H259-F813 AromaticContact CG-CD1 3.92Å; H259-F813 AromaticContact CG-CE1 3.26Å; H259-F813 AromaticContact CG-CZ 3.4Å; H259-F813 AromaticContact ND1-CE1 3.55Å; H259-F813 AromaticContact ND1-CZ 3.26Å; H259-F813 VanDerWaalsContact ND1-CZ 3.26Å; H259-F813 WeakPolarHBondContact ND1-CZ 3.44Å; H259-F813 AromaticContact NE2-CE1 3.91Å; H259-F817 HydrophobicContact CB-CD1 4.19Å; H259-E819 WeakPolarHBondContact CB-OE1 3.44Å; H259-E819 IonicContact CG-OE1 3.19Å; H259-E819 PolarHBondContact N-OE1 3.19Å; H259-E819 IonicContact ND1-OE1 3.47Å; H259-E819 PolarHBondContact ND1-OE1 3.21Å; H259-E819 IonicContact ND1-OE2 3.47Å
260	W	85.6	Confident	91.1	Very high	55 Å²	55	53.9 Å²	53.9	21%	0.208	28%	0.281	C	S	.	.	H	α-helix	trans	-51.1	-33.6	-164.2	72.7	-85.2	0	0	0	116	R263 Y264 L764 A791	W260-R263 PolarHBondContact O-N 3.44Å; W260-Y264 AromaticContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CE2 4.17Å; W260-Y264 WeakPolarHBondContact O-CD2 3.47Å; W260-Y264 PolarHBondContact O-N 2.83Å; W260-L764 HydrophobicContact CH2-CD2 3.81Å; W260-L764 HydrophobicContact CZ3-CD2 3.78Å; W260-L764 HydrophobicContact CZ3-CG 4.34Å; W260-A791 HydrophobicContact CH2-CB 3.47Å; W260-A791 VanDerWaalsContact CH2-CB 3.47Å; W260-A791 HydrophobicContact CZ2-CB 3.43Å; W260-A791 VanDerWaalsContact CZ2-CB 3.43Å
261	I	87.9	Confident	90.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-49.5	177.2	-61	-177.5	0	0	0	110	H259 R263 Y264 T265 L363 M369 L764 A791 N794	H259-I261 VanDerWaalsContact C-N 3.25Å; H259-I261 PolarHBondContact O-N 3.26Å; I261-R263 PolarHBondContact O-N 2.87Å; I261-Y264 PolarHBondContact O-N 3.21Å; I261-T265 PolarHBondContact O-N 2.82Å; I261-T265 PolarHBondContact O-OG1 2.89Å; I261-T265 VanDerWaalsContact O-OG1 3.13Å; I261-L363 HydrophobicContact CG2-CD2 4.34Å; I261-M369 HydrophobicContact CD1-CE 4.18Å; I261-M369 HydrophobicContact CD1-SD 4.45Å; I261-M369 HydrophobicContact CG2-CE 4.34Å; I261-L764 HydrophobicContact CG1-CD2 4.15Å; I261-L764 HydrophobicContact CG2-CD2 4.19Å; I261-A791 HydrophobicContact CD1-CB 4.02Å; I261-N794 HydrophobicContact CD1-CB 4.04Å
262	M	89.9	Confident	90.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.6	-14.6	-175.5	-48.1	-53.4	150	0	0	113.5	N255 K258 H259 F361 L363 M369 Y371	N255-M262 HydrophobicContact CB-CB 3.8Å; N255-M262 PolarHBondContact N-O 3.36Å; K258-M262 HydrophobicContact CB-CB 3.87Å; K258-M262 HydrophobicContact CB-CG 4.13Å; H259-M262 VanDerWaalsContact CE1-CE 3.49Å; H259-M262 WeakPolarHBondContact CE1-CE 3.19Å; H259-M262 WeakPolarHBondContact NE2-CE 3.44Å; H259-M262 PolarHBondContact O-N 2.86Å; M262-F361 HydrophobicContact SD-CB 4.06Å; M262-L363 HydrophobicContact CE-CD1 3.66Å; M262-L363 HydrophobicContact CE-CD2 3.99Å; M262-L363 HydrophobicContact CE-CG 4.3Å; M262-L363 HydrophobicContact SD-CD1 3.86Å; M262-L363 HydrophobicContact SD-CD2 3.88Å; M262-L363 HydrophobicContact SD-CG 4.04Å; M262-M369 HydrophobicContact CE-CE 3.68Å; M262-M369 HydrophobicContact CE-CG 3.86Å; M262-M369 HydrophobicContact CE-SD 3.43Å; M262-M369 WeakPolarHBondContact CE-SD 3.38Å; M262-Y371 HydrophobicContact CE-CE2 4.25Å
263	R	87.3	Confident	90.8	Very high	112 Å²	112	53.2 Å²	53.2	42%	0.423	28%	0.283	S	S	.	.	H	α-helix	trans	-78.5	-28.4	170	-56.2	-173.5	-171.9	-163.8	-3.4	113.2	N255 P256 K258 H259 W260 I261	N255-R263 WeakPolarHBondContact O-CG 3.31Å; P256-R263 VanDerWaalsContact O-CZ 3.3Å; P256-R263 PolarHBondContact O-NE 2.82Å; P256-R263 PolarHBondContact O-NH2 3.35Å; K258-R263 VanDerWaalsContact O-CZ 3.31Å; K258-R263 PolarHBondContact O-NE 2.67Å; K258-R263 PolarHBondContact O-NH2 3.16Å; H259-R263 PolarHBondContact O-N 3Å; W260-R263 PolarHBondContact O-N 3.44Å; I261-R263 PolarHBondContact O-N 2.87Å
264	Y	83.9	Confident	91	Very high	168 Å²	168	55.7 Å²	55.7	66%	0.659	29%	0.291	S	S	*	.	H	α-helix	trans	-96.7	-19	176.8	-67.1	-64.5	0	0	0	112.8	W260 I261 G266	W260-Y264 AromaticContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CD2 3.98Å; W260-Y264 HydrophobicContact CE3-CE2 4.17Å; W260-Y264 WeakPolarHBondContact O-CD2 3.47Å; W260-Y264 PolarHBondContact O-N 2.83Å; I261-Y264 PolarHBondContact O-N 3.21Å; Y264-G266 PolarHBondContact O-N 2.97Å
265	T	87.6	Confident	91.1	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.08	27%	0.266	C	S	.	.			trans	-69.5	109.8	165.9	-53.1	0	0	0	0	109.2	P254 I261 F361 G362 L363	P254-T265 WeakPolarHBondContact CA-O 3.35Å; I261-T265 PolarHBondContact O-N 2.82Å; I261-T265 PolarHBondContact O-OG1 2.89Å; I261-T265 VanDerWaalsContact O-OG1 3.13Å; T265-F361 WeakPolarHBondContact CG2-O 3.3Å; T265-G362 WeakPolarHBondContact CG2-O 3.35Å; T265-L363 HydrophobicContact CG2-CD2 4.32Å
266	G	88.7	Confident	91.3	Very high	33 Å²	33	51.9 Å²	51.9	34%	0.34	27%	0.266	S	S	.	.			trans	-89.8	-178.9	166.9	0	0	0	0	0	112.2	Y264	Y264-G266 PolarHBondContact O-N 2.97Å
267	P	93.4	Very high	91.5	Very high	81 Å²	81	49.3 Å²	49.3	53%	0.526	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-52.1	142.7	174.2	-25.8	33.3	0	0	0	113.3
268	M	94.3	Very high	91.7	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.054	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.2	140.8	171	-69.7	-157.8	-68.4	0	0	111.1	Y250 N251 H272 M273 T276 G359 G362 V364	Y250-M268 HydrophobicContact CD2-CE 4.2Å; Y250-M268 HydrophobicContact CE1-CE 4.03Å; Y250-M268 HydrophobicContact CE2-CE 3.61Å; N251-M268 HydrophobicContact CB-CE 3.96Å; N251-M268 VanDerWaalsContact OD1-CB 3.29Å; N251-M268 WeakPolarHBondContact OD1-CB 3.27Å; N251-M268 PolarHBondContact OD1-N 2.66Å; M268-H272 WeakPolarHBondContact CA-CE1 3.45Å; M268-H272 HydrophobicContact CB-CB 3.89Å; M268-H272 HydrophobicContact CG-CB 4.21Å; M268-H272 HydrophobicContact SD-CB 4.12Å; M268-M273 HydrophobicContact CB-CG 4.01Å; M268-M273 HydrophobicContact CE-CG 4.2Å; M268-T276 HydrophobicContact CE-CG2 4.38Å; M268-T276 HydrophobicContact SD-CG2 4.13Å; M268-G359 VanDerWaalsContact CE-CA 3.47Å; M268-G362 WeakPolarHBondContact CG-O 3.48Å; M268-V364 HydrophobicContact CG-CG2 4.46Å; M268-V364 HydrophobicContact SD-CG2 4.21Å
269	K	93.4	Very high	91.7	Very high	131 Å²	131	47.6 Å²	47.6	57%	0.57	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-77.4	159.4	171.7	-61.7	-176.5	178.2	-173.9	0	109.7	I271 H272 M273	K269-I271 HydrophobicContact CB-CG2 4Å; K269-I271 PolarHBondContact O-N 3.38Å; K269-I271 VanDerWaalsContact O-N 3.15Å; K269-H272 PolarHBondContact N-CE1 2.94Å; K269-H272 PolarHBondContact N-ND1 2.98Å; K269-H272 WeakPolarHBondContact O-CA 3.48Å; K269-H272 VanDerWaalsContact O-CB 3.32Å; K269-H272 WeakPolarHBondContact O-CB 3.25Å; K269-H272 PolarHBondContact O-N 3.09Å; K269-M273 PolarHBondContact O-N 2.74Å
270	P	94.7	Very high	92	Very high	111 Å²	111	47.6 Å²	47.6	72%	0.721	24%	0.238	S	C	*	.	H	α-helix	trans	-52.3	-39.3	175.4	-29.1	36.2	0	0	0	113.7	H272 M273 E274	P270-H272 VanDerWaalsContact C-N 3.32Å; P270-H272 PolarHBondContact O-N 3.25Å; P270-M273 PolarHBondContact O-N 3.23Å; P270-E274 PolarHBondContact O-N 2.92Å
271	I	93.4	Very high	92.4	Very high	47 Å²	47	47.6 Å²	47.6	24%	0.241	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-30.3	174.4	-169.7	165.6	0	0	0	113.8	K269 F275 W780 L782 F785	K269-I271 HydrophobicContact CB-CG2 4Å; K269-I271 PolarHBondContact O-N 3.38Å; K269-I271 VanDerWaalsContact O-N 3.15Å; I271-F275 VanDerWaalsContact O-CB 3.3Å; I271-F275 WeakPolarHBondContact O-CB 3.46Å; I271-F275 PolarHBondContact O-N 3.05Å; I271-F275 VanDerWaalsContact O-N 3.15Å; I271-W780 HydrophobicContact CD1-CZ2 4.18Å; I271-W780 HydrophobicContact CG1-CH2 4.14Å; I271-W780 HydrophobicContact CG1-CZ2 3.67Å; I271-L782 HydrophobicContact CD1-CB 4.27Å; I271-L782 WeakPolarHBondContact CD1-O 3.21Å; I271-L782 HydrophobicContact CG1-CB 4.4Å; I271-F785 HydrophobicContact CD1-CB 4.1Å; I271-F785 HydrophobicContact CD1-CD1 4.19Å; I271-F785 HydrophobicContact CD1-CG 4.46Å; I271-F785 HydrophobicContact CG1-CD1 4.13Å; I271-F785 HydrophobicContact CG1-CG 4.46Å
272	H	94.5	Very high	92.7	Very high	36 Å²	36	47.6 Å²	47.6	17%	0.167	24%	0.238	C	C	.	.	H	α-helix	trans	-73.1	-40.9	172.6	-62	165.5	0	0	0	110.9	M268 K269 P270 F275 T276 V364 F785	M268-H272 WeakPolarHBondContact CA-CE1 3.45Å; M268-H272 HydrophobicContact CB-CB 3.89Å; M268-H272 HydrophobicContact CG-CB 4.21Å; M268-H272 HydrophobicContact SD-CB 4.12Å; K269-H272 PolarHBondContact N-CE1 2.94Å; K269-H272 PolarHBondContact N-ND1 2.98Å; K269-H272 WeakPolarHBondContact O-CA 3.48Å; K269-H272 VanDerWaalsContact O-CB 3.32Å; K269-H272 WeakPolarHBondContact O-CB 3.25Å; K269-H272 PolarHBondContact O-N 3.09Å; P270-H272 VanDerWaalsContact C-N 3.32Å; P270-H272 PolarHBondContact O-N 3.25Å; H272-F275 WeakPolarHBondContact O-CB 3.49Å; H272-F275 PolarHBondContact O-N 3.3Å; H272-T276 PolarHBondContact O-N 3.48Å; H272-T276 PolarHBondContact O-OG1 3.41Å; H272-V364 HydrophobicContact CB-CG1 4.09Å; H272-V364 HydrophobicContact CB-CG2 3.91Å; H272-F785 AromaticContact CD2-CD2 3.47Å; H272-F785 VanDerWaalsContact CD2-CD2 3.47Å; H272-F785 WeakPolarHBondContact CD2-CD2 3.47Å; H272-F785 AromaticContact CD2-CE2 3.82Å
273	M	95.1	Very high	93	Very high	69 Å²	69	47.6 Å²	47.6	34%	0.34	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-39.9	179	-66.7	173.8	65.6	0	0	112.3	Y250 M268 K269 P270 T276 N277	Y250-M273 HydrophobicContact CE1-CE 4.43Å; M268-M273 HydrophobicContact CB-CG 4.01Å; M268-M273 HydrophobicContact CE-CG 4.2Å; K269-M273 PolarHBondContact O-N 2.74Å; P270-M273 PolarHBondContact O-N 3.23Å; M273-T276 VanDerWaalsContact C-OG1 3.28Å; M273-T276 VanDerWaalsContact CA-OG1 3.24Å; M273-T276 WeakPolarHBondContact CA-OG1 3.33Å; M273-T276 PolarHBondContact O-N 3.48Å; M273-T276 PolarHBondContact O-OG1 3.41Å; M273-N277 VanDerWaalsContact O-CG 3.23Å; M273-N277 PolarHBondContact O-N 2.7Å; M273-N277 VanDerWaalsContact O-N 3.11Å; M273-N277 PolarHBondContact O-ND2 2.88Å
274	E	94.1	Very high	93.4	Very high	75 Å²	75	42.4 Å²	42.4	35%	0.35	22%	0.218	S	C	.	.	H	α-helix	trans	-74	-31.9	175.4	-173.1	51.9	-156.2	0	0	111.9	P270 N277 V278 L782	P270-E274 PolarHBondContact O-N 2.92Å; E274-N277 PolarHBondContact O-N 2.86Å; E274-N277 PolarHBondContact OE2-ND2 3.34Å; E274-V278 WeakPolarHBondContact O-CG2 3.45Å; E274-V278 PolarHBondContact O-N 3.05Å; E274-V278 VanDerWaalsContact O-N 3.1Å; E274-L782 HydrophobicContact CB-CD1 4.09Å; E274-L782 HydrophobicContact CG-CD1 3.75Å
275	F	94.3	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-38.9	169.9	179.9	-98.3	0	0	0	112.5	I271 H272 V278 L279 V364 K365 H769 H773 W774 W780 F785	I271-F275 VanDerWaalsContact O-CB 3.3Å; I271-F275 WeakPolarHBondContact O-CB 3.46Å; I271-F275 PolarHBondContact O-N 3.05Å; I271-F275 VanDerWaalsContact O-N 3.15Å; H272-F275 WeakPolarHBondContact O-CB 3.49Å; H272-F275 PolarHBondContact O-N 3.3Å; F275-V278 PolarHBondContact O-N 3.02Å; F275-L279 HydrophobicContact CE1-CB 4.44Å; F275-L279 HydrophobicContact CE1-CD2 4.05Å; F275-L279 WeakPolarHBondContact O-CB 3.47Å; F275-L279 PolarHBondContact O-N 2.86Å; F275-V364 HydrophobicContact CD1-CG1 3.83Å; F275-V364 HydrophobicContact CE1-CG1 4.33Å; F275-K365 HydrophobicContact CE1-CD 4.03Å; F275-K365 HydrophobicContact CZ-CD 4.32Å; F275-H769 AromaticContact CZ-CE1 3.83Å; F275-H769 AromaticContact CZ-CG 4Å; F275-H769 AromaticContact CZ-ND1 3.72Å; F275-H773 AromaticContact CE2-CD2 3.99Å; F275-W774 AromaticContact CD2-CH2 3.83Å; F275-W774 HydrophobicContact CD2-CH2 3.83Å; F275-W774 HydrophobicContact CD2-CZ3 4.42Å; F275-W774 AromaticContact CE2-CH2 3.57Å; F275-W774 HydrophobicContact CE2-CH2 3.57Å; F275-W774 AromaticContact CE2-CZ2 3.94Å; F275-W774 HydrophobicContact CE2-CZ2 3.94Å; F275-W774 HydrophobicContact CE2-CZ3 4.28Å; F275-W774 HydrophobicContact CZ-CH2 4.35Å; F275-W774 HydrophobicContact CZ-CZ2 4.34Å; F275-W780 HydrophobicContact CB-CH2 3.57Å; F275-W780 HydrophobicContact CB-CZ2 4.18Å; F275-W780 HydrophobicContact CB-CZ3 3.87Å; F275-W780 HydrophobicContact CD2-CD2 4.25Å; F275-W780 HydrophobicContact CD2-CE3 4.09Å; F275-W780 HydrophobicContact CD2-CH2 4.24Å; F275-W780 HydrophobicContact CD2-CZ2 4.39Å; F275-W780 HydrophobicContact CD2-CZ3 4.1Å; F275-W780 HydrophobicContact CG-CH2 4.41Å; F275-W780 HydrophobicContact CG-CZ3 4.49Å; F275-F785 HydrophobicContact CB-CE1 4Å; F275-F785 HydrophobicContact CB-CZ 3.8Å; F275-F785 HydrophobicContact CD1-CE1 4.48Å; F275-F785 HydrophobicContact CD1-CE2 4.39Å; F275-F785 AromaticContact CD1-CZ 3.62Å; F275-F785 HydrophobicContact CD1-CZ 3.62Å; F275-F785 AromaticContact CD2-CE1 3.62Å; F275-F785 HydrophobicContact CD2-CE1 3.62Å; F275-F785 AromaticContact CD2-CZ 3.53Å; F275-F785 HydrophobicContact CD2-CZ 3.53Å; F275-F785 AromaticContact CE1-CZ 3.98Å; F275-F785 HydrophobicContact CE1-CZ 3.98Å; F275-F785 HydrophobicContact CE2-CE1 4.18Å; F275-F785 AromaticContact CE2-CZ 3.92Å; F275-F785 HydrophobicContact CE2-CZ 3.92Å; F275-F785 AromaticContact CG-CE1 3.78Å; F275-F785 HydrophobicContact CG-CE1 3.78Å; F275-F785 HydrophobicContact CG-CE2 4.42Å; F275-F785 AromaticContact CG-CZ 3.35Å; F275-F785 HydrophobicContact CG-CZ 3.35Å; F275-F785 HydrophobicContact CZ-CZ 4.12Å
276	T	95.1	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-40.7	175.5	41.7	0	0	0	0	112.2	Y250 M268 H272 M273 L279 Q280 I358 V364	Y250-T276 PolarHBondContact OH-OG1 2.88Å; M268-T276 HydrophobicContact CE-CG2 4.38Å; M268-T276 HydrophobicContact SD-CG2 4.13Å; H272-T276 PolarHBondContact O-N 3.48Å; H272-T276 PolarHBondContact O-OG1 3.41Å; M273-T276 VanDerWaalsContact C-OG1 3.28Å; M273-T276 VanDerWaalsContact CA-OG1 3.24Å; M273-T276 WeakPolarHBondContact CA-OG1 3.33Å; M273-T276 PolarHBondContact O-N 3.48Å; M273-T276 PolarHBondContact O-OG1 3.41Å; T276-L279 PolarHBondContact O-N 3.37Å; T276-Q280 PolarHBondContact O-N 3.02Å; T276-I358 VanDerWaalsContact CB-CG2 3.48Å; T276-I358 HydrophobicContact CG2-CG2 3.49Å; T276-I358 VanDerWaalsContact CG2-CG2 3.49Å; T276-V364 HydrophobicContact CG2-CG1 4.4Å; T276-V364 WeakPolarHBondContact CG2-O 3.38Å
277	N	94.4	Very high	94.6	Very high	46 Å²	46	32.2 Å²	32.2	25%	0.246	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-54.4	173	-67.1	-24	0	0	0	111.9	H245 M273 E274 Q280 R281	H245-N277 PolarHBondContact CE1-OD1 3.1Å; M273-N277 VanDerWaalsContact O-CG 3.23Å; M273-N277 PolarHBondContact O-N 2.7Å; M273-N277 VanDerWaalsContact O-N 3.11Å; M273-N277 PolarHBondContact O-ND2 2.88Å; E274-N277 PolarHBondContact O-N 2.86Å; E274-N277 PolarHBondContact OE2-ND2 3.34Å; N277-Q280 PolarHBondContact O-N 2.85Å; N277-R281 PolarHBondContact O-N 3.04Å
278	V	93.9	Very high	94.6	Very high	11 Å²	11	29.6 Å²	29.6	7%	0.067	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-38.1	-178.6	-178.2	0	0	0	0	111.3	E274 F275 R281 K282 W774 P778	E274-V278 WeakPolarHBondContact O-CG2 3.45Å; E274-V278 PolarHBondContact O-N 3.05Å; E274-V278 VanDerWaalsContact O-N 3.1Å; F275-V278 PolarHBondContact O-N 3.02Å; V278-R281 WeakPolarHBondContact O-CB 3.4Å; V278-R281 PolarHBondContact O-N 2.87Å; V278-K282 HydrophobicContact CG1-CG 4.33Å; V278-K282 WeakPolarHBondContact O-CB 3.43Å; V278-K282 VanDerWaalsContact O-CG 3.29Å; V278-K282 WeakPolarHBondContact O-CG 3.48Å; V278-K282 PolarHBondContact O-N 2.84Å; V278-W774 HydrophobicContact CB-CH2 4.02Å; V278-W774 HydrophobicContact CB-CZ3 4.12Å; V278-W774 HydrophobicContact CG1-CE3 4.2Å; V278-W774 HydrophobicContact CG1-CH2 3.67Å; V278-W774 HydrophobicContact CG1-CZ3 3.43Å; V278-W774 VanDerWaalsContact CG1-CZ3 3.43Å; V278-P778 HydrophobicContact CG1-CG 4.15Å
279	L	94.6	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-44.3	176.2	173.6	65.7	0	0	0	112.2	E229 F275 T276 K282 R283 I358 K365 W774	E229-L279 HydrophobicContact CG-CD1 3.77Å; E229-L279 WeakPolarHBondContact OE1-CD1 3.46Å; F275-L279 HydrophobicContact CE1-CB 4.44Å; F275-L279 HydrophobicContact CE1-CD2 4.05Å; F275-L279 WeakPolarHBondContact O-CB 3.47Å; F275-L279 PolarHBondContact O-N 2.86Å; T276-L279 PolarHBondContact O-N 3.37Å; L279-K282 PolarHBondContact O-N 2.69Å; L279-R283 HydrophobicContact CD1-CG 4.34Å; L279-R283 WeakPolarHBondContact O-CG 3.48Å; L279-R283 PolarHBondContact O-N 3Å; L279-I358 HydrophobicContact CD2-CD1 4.38Å; L279-I358 HydrophobicContact CD2-CG1 4.19Å; L279-I358 HydrophobicContact CD2-CG2 4.13Å; L279-I358 HydrophobicContact CG-CD1 4.35Å; L279-K365 HydrophobicContact CD1-CD 4.15Å; L279-K365 HydrophobicContact CD2-CB 3.46Å; L279-K365 VanDerWaalsContact CD2-CB 3.46Å; L279-K365 HydrophobicContact CD2-CD 3.41Å; L279-K365 VanDerWaalsContact CD2-CD 3.41Å; L279-K365 HydrophobicContact CD2-CG 4.11Å; L279-K365 HydrophobicContact CG-CD 4.45Å; L279-W774 HydrophobicContact CB-CH2 4.46Å; L279-W774 HydrophobicContact CB-CZ2 4.19Å; L279-W774 HydrophobicContact CD1-CZ2 4.15Å
280	Q	95.3	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-43.9	179	179.1	59.8	-8.3	0	0	110.9	L58 H245 T276 N277 K282 R283 L284 I358	L58-Q280 PolarHBondContact O-NE2 2.96Å; H245-Q280 HydrophobicContact CB-CB 4.23Å; H245-Q280 HydrophobicContact CB-CG 3.89Å; T276-Q280 PolarHBondContact O-N 3.02Å; N277-Q280 PolarHBondContact O-N 2.85Å; Q280-K282 VanDerWaalsContact C-N 3.34Å; Q280-K282 PolarHBondContact O-N 3.28Å; Q280-R283 PolarHBondContact O-N 3.4Å; Q280-L284 HydrophobicContact CG-CD1 4.44Å; Q280-L284 WeakPolarHBondContact O-CG 3.25Å; Q280-L284 PolarHBondContact O-N 2.65Å; Q280-L284 VanDerWaalsContact O-N 3.07Å; Q280-I358 HydrophobicContact CB-CD1 3.99Å; Q280-I358 HydrophobicContact CG-CD1 4.49Å
281	R	94.5	Very high	94.5	Very high	56 Å²	56	17.9 Å²	17.9	21%	0.211	9%	0.086	C	C	.	.	H	α-helix	trans	-51	-54.3	171.6	-178.5	-174.1	-51.6	153.4	5.8	110.9	A238 F239 A240 N277 V278 R283 L284 Q285	A238-R281 WeakPolarHBondContact O-CG 3.49Å; F239-R281 HydrophobicContact CB-CG 4.05Å; F239-R281 WeakPolarHBondContact O-CG 3.44Å; F239-R281 PolarHBondContact O-NE 3.03Å; A240-R281 PolarHBondContact O-NE 3.27Å; A240-R281 PolarHBondContact O-NH2 3.14Å; N277-R281 PolarHBondContact O-N 3.04Å; V278-R281 WeakPolarHBondContact O-CB 3.4Å; V278-R281 PolarHBondContact O-N 2.87Å; R281-R283 PolarHBondContact O-N 3.39Å; R281-L284 PolarHBondContact O-N 3.48Å; R281-Q285 HydrophobicContact CG-CG 4.43Å; R281-Q285 VanDerWaalsContact O-CG 3.26Å; R281-Q285 WeakPolarHBondContact O-CG 3.34Å; R281-Q285 PolarHBondContact O-N 2.95Å
282	K	94.5	Very high	94.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.4	-43.6	179.1	-76.3	-66.1	-150.5	171	0	113.3	E229 V278 L279 Q280 Q285 T286 W774 T776 A777 P778	E229-K282 HydrophobicContact CB-CB 3.72Å; V278-K282 HydrophobicContact CG1-CG 4.33Å; V278-K282 WeakPolarHBondContact O-CB 3.43Å; V278-K282 VanDerWaalsContact O-CG 3.29Å; V278-K282 WeakPolarHBondContact O-CG 3.48Å; V278-K282 PolarHBondContact O-N 2.84Å; L279-K282 PolarHBondContact O-N 2.69Å; Q280-K282 VanDerWaalsContact C-N 3.34Å; Q280-K282 PolarHBondContact O-N 3.28Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 3.25Å; K282-T286 PolarHBondContact O-N 3.39Å; K282-T286 VanDerWaalsContact O-N 3.07Å; K282-W774 HydrophobicContact CG-CD2 4.2Å; K282-W774 HydrophobicContact CG-CZ2 4.14Å; K282-T776 VanDerWaalsContact NZ-C 3.34Å; K282-T776 PolarHBondContact NZ-O 3.06Å; K282-T776 PolarHBondContact NZ-OG1 3.04Å; K282-A777 PolarHBondContact NZ-O 3.13Å; K282-P778 WeakPolarHBondContact CE-O 3.24Å; K282-P778 PolarHBondContact NZ-O 2.92Å
283	R	95.4	Very high	93.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.7	-51.3	176.2	-77.3	172.6	52.2	86.3	-7.7	111.4	D53 D55 P225 E229 L279 Q280 R281 Q285 T286 L287 I358	D53-R283 PolarHBondContact O-NH1 3.43Å; D53-R283 PolarHBondContact O-NH2 2.95Å; D55-R283 IonicContact OD1-CZ 3.67Å; D55-R283 IonicContact OD1-NH2 3.58Å; D55-R283 PolarHBondContact OD1-NH2 2.9Å; P225-R283 HydrophobicContact CB-CB 3.92Å; P225-R283 HydrophobicContact CB-CG 4.09Å; P225-R283 PolarHBondContact O-NH1 2.65Å; P225-R283 VanDerWaalsContact O-NH1 3.12Å; E229-R283 HydrophobicContact CG-CG 4.02Å; L279-R283 HydrophobicContact CD1-CG 4.34Å; L279-R283 WeakPolarHBondContact O-CG 3.48Å; L279-R283 PolarHBondContact O-N 3Å; Q280-R283 PolarHBondContact O-N 3.4Å; R281-R283 PolarHBondContact O-N 3.39Å; R283-Q285 VanDerWaalsContact C-N 3.3Å; R283-Q285 PolarHBondContact O-N 3.08Å; R283-T286 PolarHBondContact O-N 3.1Å; R283-T286 VanDerWaalsContact O-N 3.14Å; R283-T286 PolarHBondContact O-OG1 3.31Å; R283-L287 PolarHBondContact O-N 3.05Å; R283-I358 VanDerWaalsContact CD-CD1 3.49Å
284	L	95.8	Very high	93.3	Very high	3 Å²	3	12.4 Å²	12.4	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-36.3	178.4	-58.6	-176.6	0	0	0	112.2	A63 F239 A242 Q280 R281 T286 L287 L288	A63-L284 HydrophobicContact CB-CB 4.14Å; A63-L284 HydrophobicContact CB-CD1 4.5Å; A63-L284 HydrophobicContact CB-CD2 3.87Å; A63-L284 HydrophobicContact CB-CG 4.37Å; F239-L284 HydrophobicContact CB-CB 4.48Å; F239-L284 HydrophobicContact CB-CD1 4.48Å; F239-L284 HydrophobicContact CD1-CB 4.46Å; F239-L284 HydrophobicContact CD1-CD1 4.08Å; F239-L284 HydrophobicContact CD2-CB 3.45Å; F239-L284 VanDerWaalsContact CD2-CB 3.45Å; F239-L284 HydrophobicContact CD2-CD1 4.49Å; F239-L284 HydrophobicContact CE1-CD1 4.48Å; F239-L284 HydrophobicContact CE2-CB 3.67Å; F239-L284 HydrophobicContact CG-CB 3.89Å; F239-L284 HydrophobicContact CG-CD1 4.1Å; F239-L284 HydrophobicContact CZ-CB 4.3Å; A242-L284 HydrophobicContact CB-CD1 3.98Å; Q280-L284 HydrophobicContact CG-CD1 4.44Å; Q280-L284 WeakPolarHBondContact O-CG 3.25Å; Q280-L284 PolarHBondContact O-N 2.65Å; Q280-L284 VanDerWaalsContact O-N 3.07Å; R281-L284 PolarHBondContact O-N 3.48Å; L284-T286 PolarHBondContact O-N 2.8Å; L284-L287 HydrophobicContact CD2-CD1 4.26Å; L284-L287 WeakPolarHBondContact O-CB 3.41Å; L284-L287 PolarHBondContact O-N 3.05Å; L284-L287 VanDerWaalsContact O-N 3.17Å; L284-L288 PolarHBondContact O-N 3.39Å
285	Q	95.1	Very high	92.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.5	-37.6	173.9	-68	174.1	-12.9	0	0	113	Y235 S236 A238 F239 R281 K282 R283 L287	Y235-Q285 WeakPolarHBondContact O-CG 3.42Å; Y235-Q285 PolarHBondContact O-NE2 2.9Å; S236-Q285 VanDerWaalsContact C-NE2 3.29Å; S236-Q285 PolarHBondContact O-NE2 2.85Å; A238-Q285 HydrophobicContact CB-CG 4.37Å; A238-Q285 PolarHBondContact O-NE2 2.83Å; F239-Q285 HydrophobicContact CD2-CG 4.28Å; R281-Q285 HydrophobicContact CG-CG 4.43Å; R281-Q285 VanDerWaalsContact O-CG 3.26Å; R281-Q285 WeakPolarHBondContact O-CG 3.34Å; R281-Q285 PolarHBondContact O-N 2.95Å; K282-Q285 WeakPolarHBondContact O-CB 3.44Å; K282-Q285 PolarHBondContact O-N 3.25Å; R283-Q285 VanDerWaalsContact C-N 3.3Å; R283-Q285 PolarHBondContact O-N 3.08Å; Q285-L287 VanDerWaalsContact C-N 3.3Å; Q285-L287 PolarHBondContact O-N 3.12Å
286	T	95.4	Very high	90.4	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-70.7	-24.1	174.6	64.2	0	0	0	0	113.5	F169 A224 P225 K282 R283 L284	F169-T286 HydrophobicContact CE1-CG2 3.93Å; F169-T286 HydrophobicContact CE2-CG2 3.83Å; F169-T286 HydrophobicContact CZ-CG2 3.47Å; F169-T286 VanDerWaalsContact CZ-CG2 3.47Å; A224-T286 WeakPolarHBondContact CB-O 3.43Å; P225-T286 WeakPolarHBondContact CA-OG1 3.22Å; K282-T286 PolarHBondContact O-N 3.39Å; K282-T286 VanDerWaalsContact O-N 3.07Å; R283-T286 PolarHBondContact O-N 3.1Å; R283-T286 VanDerWaalsContact O-N 3.14Å; R283-T286 PolarHBondContact O-OG1 3.31Å; L284-T286 PolarHBondContact O-N 2.8Å
287	L	95.6	Very high	87.9	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-74.7	-29	177.3	-72.4	-178.7	0	0	0	113.2	Q54 S60 M64 A224 P225 R283 L284 Q285 S289 V290 D291	Q54-L287 HydrophobicContact CG-CD1 4.37Å; Q54-L287 HydrophobicContact CG-CD2 4.37Å; S60-L287 WeakPolarHBondContact O-CD1 3.46Å; M64-L287 HydrophobicContact CG-CB 3.84Å; M64-L287 HydrophobicContact CG-CD1 4.37Å; M64-L287 HydrophobicContact SD-CB 3.84Å; M64-L287 HydrophobicContact SD-CD1 4.19Å; M64-L287 HydrophobicContact SD-CD2 3.79Å; M64-L287 HydrophobicContact SD-CG 4.16Å; A224-L287 HydrophobicContact CB-CD2 4.19Å; P225-L287 HydrophobicContact CB-CD2 4.09Å; P225-L287 HydrophobicContact CB-CG 4.09Å; P225-L287 HydrophobicContact CG-CD1 4.39Å; P225-L287 HydrophobicContact CG-CD2 3.95Å; P225-L287 HydrophobicContact CG-CG 4.23Å; R283-L287 PolarHBondContact O-N 3.05Å; L284-L287 HydrophobicContact CD2-CD1 4.26Å; L284-L287 WeakPolarHBondContact O-CB 3.41Å; L284-L287 PolarHBondContact O-N 3.05Å; L284-L287 VanDerWaalsContact O-N 3.17Å; Q285-L287 VanDerWaalsContact C-N 3.3Å; Q285-L287 PolarHBondContact O-N 3.12Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.09Å; L287-V290 CarbonylContact O-C 3.6Å; L287-V290 WeakPolarHBondContact O-CA 3.15Å; L287-V290 WeakPolarHBondContact O-CB 3.24Å; L287-V290 PolarHBondContact O-N 2.62Å; L287-D291 PolarHBondContact O-N 3.38Å
288	L	93.9	Very high	85.1	Confident	26 Å²	26	23.6 Å²	23.6	14%	0.136	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-35.4	178.4	-69	177.8	0	0	0	112.6	Y235 A238 F239 L284 V290 D291 D292	Y235-L288 HydrophobicContact CD1-CB 3.76Å; Y235-L288 HydrophobicContact CD1-CD1 3.49Å; Y235-L288 VanDerWaalsContact CD1-CD1 3.49Å; Y235-L288 HydrophobicContact CD1-CG 4.28Å; Y235-L288 HydrophobicContact CD2-CB 3.97Å; Y235-L288 HydrophobicContact CE1-CB 3.76Å; Y235-L288 HydrophobicContact CE1-CD1 4.17Å; Y235-L288 HydrophobicContact CE2-CB 4.01Å; Y235-L288 HydrophobicContact CG-CB 3.88Å; Y235-L288 HydrophobicContact CG-CD1 3.82Å; Y235-L288 HydrophobicContact CG-CG 4.49Å; A238-L288 HydrophobicContact CB-CD1 4.09Å; F239-L288 HydrophobicContact CD2-CD1 4.42Å; F239-L288 HydrophobicContact CE2-CD1 3.62Å; F239-L288 HydrophobicContact CE2-CD2 4.08Å; F239-L288 HydrophobicContact CE2-CG 3.82Å; F239-L288 HydrophobicContact CZ-CD1 4.31Å; F239-L288 HydrophobicContact CZ-CD2 4.13Å; F239-L288 HydrophobicContact CZ-CG 4.38Å; L284-L288 PolarHBondContact O-N 3.39Å; L288-V290 VanDerWaalsContact C-N 3.25Å; L288-V290 PolarHBondContact O-N 2.83Å; L288-D291 WeakPolarHBondContact O-CB 3.46Å; L288-D291 PolarHBondContact O-N 3.36Å; L288-D292 PolarHBondContact O-N 3.39Å
289	S	92.7	Very high	82.3	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-31	172	-49.1	0	0	0	0	113.4	Y191 T193 Y235 L287 S293	Y191-S289 VanDerWaalsContact CE1-OG 3.23Å; Y191-S289 WeakPolarHBondContact CE1-OG 3.29Å; Y191-S289 WeakPolarHBondContact OH-CB 3.27Å; Y191-S289 PolarHBondContact OH-OG 3.12Å; T193-S289 WeakPolarHBondContact CG2-O 3.37Å; Y235-S289 WeakPolarHBondContact CE2-OG 3.32Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.09Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 2.74Å
290	V	93.6	Very high	79.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-76.4	-33.1	173.9	-169.4	0	0	0	0	109.7	T51 M64 T193 H222 A224 L287 L288 S293 V294	T51-V290 HydrophobicContact CG2-CG1 4.39Å; M64-V290 HydrophobicContact CE-CB 3.77Å; M64-V290 HydrophobicContact CE-CG1 3.79Å; T193-V290 HydrophobicContact CG2-CG2 4.2Å; H222-V290 HydrophobicContact CB-CG2 4.11Å; A224-V290 HydrophobicContact CB-CG2 3.83Å; L287-V290 CarbonylContact O-C 3.6Å; L287-V290 WeakPolarHBondContact O-CA 3.15Å; L287-V290 WeakPolarHBondContact O-CB 3.24Å; L287-V290 PolarHBondContact O-N 2.62Å; L288-V290 VanDerWaalsContact C-N 3.25Å; L288-V290 PolarHBondContact O-N 2.83Å; V290-S293 WeakPolarHBondContact O-CB 3.48Å; V290-S293 PolarHBondContact O-N 3.37Å; V290-S293 PolarHBondContact O-OG 3.36Å; V290-V294 PolarHBondContact O-N 3.2Å
291	D	93.3	Very high	76.4	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-44	178.2	-149.9	40.2	0	0	0	112.2	M64 N65 K66 T67 L287 L288 S293 V294 E295	M64-D291 VanDerWaalsContact C-CG 3.49Å; M64-D291 VanDerWaalsContact C-OD2 3.32Å; M64-D291 VanDerWaalsContact CA-CG 3.42Å; M64-D291 VanDerWaalsContact CA-OD1 3.29Å; M64-D291 WeakPolarHBondContact CA-OD1 3.43Å; M64-D291 WeakPolarHBondContact CA-OD2 3.39Å; M64-D291 HydrophobicContact CB-CB 4.39Å; M64-D291 WeakPolarHBondContact CB-OD1 3.29Å; M64-D291 HydrophobicContact CE-CB 4.15Å; M64-D291 HydrophobicContact CG-CB 4.29Å; N65-D291 PolarHBondContact N-OD2 3.3Å; N65-D291 VanDerWaalsContact N-OD2 3.15Å; K66-D291 VanDerWaalsContact CB-OD2 3.29Å; K66-D291 WeakPolarHBondContact CB-OD2 3.4Å; K66-D291 HydrophobicContact CD-CB 4.49Å; K66-D291 VanDerWaalsContact CG-OD2 3.32Å; K66-D291 WeakPolarHBondContact CG-OD2 3.48Å; K66-D291 PolarHBondContact N-OD1 3.42Å; K66-D291 PolarHBondContact N-OD2 3Å; T67-D291 WeakPolarHBondContact CA-OD1 3.25Å; T67-D291 WeakPolarHBondContact CB-OD1 3.25Å; T67-D291 PolarHBondContact N-OD1 3.07Å; T67-D291 WeakPolarHBondContact OG1-CA 3.33Å; T67-D291 PolarHBondContact OG1-OD1 2.93Å; L287-D291 PolarHBondContact O-N 3.38Å; L288-D291 WeakPolarHBondContact O-CB 3.46Å; L288-D291 PolarHBondContact O-N 3.36Å; D291-S293 VanDerWaalsContact C-N 3.25Å; D291-S293 PolarHBondContact O-N 3.4Å; D291-V294 PolarHBondContact O-N 3.12Å; D291-E295 PolarHBondContact O-N 2.92Å
292	D	90.1	Very high	73.4	Confident	29 Å²	29	37.7 Å²	37.7	16%	0.155	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-27.5	174.2	-67.7	13.1	0	0	0	111.4	K66 Y235 L288 V294 E295 V330	K66-D292 IonicContact NZ-OD1 2.71Å; K66-D292 PolarHBondContact NZ-OD1 3.38Å; K66-D292 IonicContact NZ-OD2 2.67Å; Y235-D292 PolarHBondContact OH-OD2 3.45Å; L288-D292 PolarHBondContact O-N 3.39Å; D292-V294 VanDerWaalsContact C-N 3.29Å; D292-V294 PolarHBondContact O-N 2.85Å; D292-E295 WeakPolarHBondContact O-CB 3.49Å; D292-E295 PolarHBondContact O-N 2.93Å; D292-V330 HydrophobicContact CB-CG1 4.47Å
293	S	86.3	Confident	70.6	Confident	4 Å²	4	44 Å²	44	3%	0.028	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-30.7	176.5	87.3	0	0	0	0	113.2	T197 S289 V290 D291 L333	T197-S293 WeakPolarHBondContact OG1-CB 3.48Å; S289-S293 WeakPolarHBondContact O-CB 3.27Å; S289-S293 PolarHBondContact O-N 2.74Å; V290-S293 WeakPolarHBondContact O-CB 3.48Å; V290-S293 PolarHBondContact O-N 3.37Å; V290-S293 PolarHBondContact O-OG 3.36Å; D291-S293 VanDerWaalsContact C-N 3.25Å; D291-S293 PolarHBondContact O-N 3.4Å; S293-L333 WeakPolarHBondContact O-CB 3.2Å; S293-L333 WeakPolarHBondContact O-CD1 3.41Å; S293-L333 VanDerWaalsContact O-CG 3.3Å; S293-L333 WeakPolarHBondContact O-CG 3.45Å; S293-L333 PolarHBondContact O-N 3.38Å
294	V	82.1	Confident	67.7	Low	5 Å²	5	50.3 Å²	50.3	3%	0.03	32%	0.32	C	S	.	.	H	α-helix	trans	-89.5	-13.9	179.8	-178.2	0	0	0	0	112.3	I49 T67 I70 V290 D291 D292 F334	I49-V294 HydrophobicContact CD1-CG2 3.84Å; T67-V294 HydrophobicContact CG2-CB 4.5Å; T67-V294 HydrophobicContact CG2-CG1 4.25Å; T67-V294 HydrophobicContact CG2-CG2 4.22Å; I70-V294 HydrophobicContact CD1-CG1 4.37Å; I70-V294 WeakPolarHBondContact CD1-O 3.19Å; I70-V294 HydrophobicContact CG2-CG1 4.24Å; V290-V294 PolarHBondContact O-N 3.2Å; D291-V294 PolarHBondContact O-N 3.12Å; D292-V294 VanDerWaalsContact C-N 3.29Å; D292-V294 PolarHBondContact O-N 2.85Å; V294-F334 WeakPolarHBondContact O-CB 3.25Å
295	E	78.9	Confident	64.6	Low	33 Å²	33	59.5 Å²	59.5	15%	0.154	36%	0.36	C	S	.	.			trans	-56.5	147.6	-161.5	-175.6	161.1	-146	0	0	117	K66 D291 D292	K66-E295 HydrophobicContact CD-CB 4.18Å; K66-E295 VanDerWaalsContact CD-CD 3.49Å; K66-E295 HydrophobicContact CD-CG 4.03Å; K66-E295 WeakPolarHBondContact CD-OE1 3.49Å; K66-E295 VanDerWaalsContact CE-CD 3.43Å; K66-E295 WeakPolarHBondContact CE-OE1 3.25Å; K66-E295 WeakPolarHBondContact CE-OE2 3.43Å; K66-E295 IonicContact NZ-OE1 3.85Å; K66-E295 PolarHBondContact NZ-OE1 2.64Å; K66-E295 VanDerWaalsContact NZ-OE1 3.08Å; K66-E295 IonicContact NZ-OE2 3.06Å; K66-E295 PolarHBondContact NZ-OE2 2.87Å; D291-E295 PolarHBondContact O-N 2.92Å; D292-E295 WeakPolarHBondContact O-CB 3.49Å; D292-E295 PolarHBondContact O-N 2.93Å
296	Q	47.4	Very low	61.8	Low	75 Å²	75	65.5 Å²	65.5	35%	0.35	40%	0.398	S	S	.	.			trans	-107	103.9	165.4	-179.1	-174.2	14.4	0	0	111	I70 R298 F334 N335	I70-Q296 HydrophobicContact CD1-CB 3.79Å; I70-Q296 HydrophobicContact CG1-CB 4.25Å; Q296-R298 PolarHBondContact O-N 3.19Å; Q296-F334 HydrophobicContact CB-CD1 3.47Å; Q296-F334 VanDerWaalsContact CB-CD1 3.47Å; Q296-F334 HydrophobicContact CB-CE1 3.9Å; Q296-F334 HydrophobicContact CB-CG 4.22Å; Q296-F334 HydrophobicContact CG-CD1 3.55Å; Q296-F334 HydrophobicContact CG-CE1 3.51Å; Q296-N335 WeakPolarHBondContact CA-OD1 3.39Å
297	V	43.6	Very low	58.9	Low	74 Å²	74	68 Å²	68	45%	0.448	42%	0.424	S	S	.	.			trans	-68	129.1	160.2	150.4	0	0	0	0	109.5	P299 S331 N335	V297-P299 WeakPolarHBondContact O-CD 3.48Å; V297-S331 WeakPolarHBondContact CB-OG 3.31Å; V297-S331 WeakPolarHBondContact CG2-OG 3.33Å; V297-S331 PolarHBondContact N-OG 3.41Å; V297-N335 PolarHBondContact N-ND2 3.39Å; V297-N335 PolarHBondContact O-ND2 2.86Å
298	R	35.8	Very low	55.8	Low	174 Å²	174	80 Å²	80	66%	0.657	47%	0.469	S	S	*	.			trans	-75.3	119.9	174.7	-71.9	179.4	168.2	-166.8	-6.4	110.8	Q296 G300	Q296-R298 PolarHBondContact O-N 3.19Å; R298-G300 VanDerWaalsContact C-N 3.33Å; R298-G300 PolarHBondContact O-N 2.98Å
299	P	34.9	Very low	52.9	Low	131 Å²	131	90.1 Å²	90.1	85%	0.851	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	88	168.4	30.7	-33.1	0	0	0	109.4	V297	V297-P299 WeakPolarHBondContact O-CD 3.48Å
300	G	33.7	Very low	50	Low	73 Å²	73	95.4 Å²	95.4	75%	0.753	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-173.4	-16.5	-176.9	0	0	0	0	0	116.8	R298 G302	R298-G300 VanDerWaalsContact C-N 3.33Å; R298-G300 PolarHBondContact O-N 2.98Å; G300-G302 VanDerWaalsContact C-N 3.3Å; G300-G302 PolarHBondContact O-N 3.34Å; G300-G302 VanDerWaalsContact O-N 3.12Å
301	A	32.4	Very low	47.2	Very low	102 Å²	102	107.2 Å²	107.2	84%	0.843	59%	0.587	S	S	*	*			trans	-86.7	63.6	175.5	0	0	0	0	0	111.9
302	G	31.8	Very low	44.4	Very low	57 Å²	57	114 Å²	114	59%	0.588	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-64.3	148.8	166	0	0	0	0	0	110.6	G300 T304	G300-G302 VanDerWaalsContact C-N 3.3Å; G300-G302 PolarHBondContact O-N 3.34Å; G300-G302 VanDerWaalsContact O-N 3.12Å; G302-T304 PolarHBondContact O-N 2.72Å
303	P	34.3	Very low	41.7	Very low	131 Å²	131	115.8 Å²	115.8	85%	0.851	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-59.8	123.6	-179	24.4	-33.6	0	0	0	110.4	K305	P303-K305 PolarHBondContact O-N 3.05Å
304	T	34.5	Very low	39.2	Very low	133 Å²	133	121 Å²	121	82%	0.816	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-56.6	129.5	173.1	43.5	0	0	0	0	109.2	G302	G302-T304 PolarHBondContact O-N 2.72Å
305	K	31.6	Very low	36.8	Very low	197 Å²	197	124.5 Å²	124.5	86%	0.857	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-55	125.7	-178.9	-66.8	-179.4	-178.8	177.2	0	109	P303 G307	P303-K305 PolarHBondContact O-N 3.05Å; K305-G307 PolarHBondContact O-N 2.7Å
306	P	36.2	Very low	34.6	Very low	125 Å²	125	133 Å²	133	81%	0.812	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-61.5	133.7	175.5	24.8	-32.7	0	0	0	109.4
307	G	33.4	Very low	33.9	Very low	52 Å²	52	135.7 Å²	135.7	54%	0.536	79%	0.793	S	S	.	*	P	Polyproline II helix	trans	-59.1	151.9	176.2	0	0	0	0	0	111.7	K305 W309	K305-G307 PolarHBondContact O-N 2.7Å; G307-W309 PolarHBondContact O-N 3.18Å
308	R	31.2	Very low	33.3	Very low	253 Å²	253	143.8 Å²	143.8	96%	0.955	82%	0.815	S	S	*	*			trans	-69.1	91.5	178	-179.5	-170.8	-77.3	-164.2	-4	110.3
309	W	32.8	Very low	33	Very low	238 Å²	238	141.3 Å²	141.3	90%	0.902	82%	0.822	S	S	*	*			trans	-87	141.3	165.6	-69.8	93.4	0	0	0	110.7	G307	G307-W309 PolarHBondContact O-N 3.18Å
310	S	31.9	Very low	32.8	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	82%	0.822	S	S	*	*			trans	-83.5	163.3	-173.1	42.7	0	0	0	0	113.2	T312	S310-T312 PolarHBondContact O-N 3.43Å
311	R	36	Very low	32.7	Very low	249 Å²	249	151.8 Å²	151.8	94%	0.94	83%	0.829	S	S	*	*			trans	-80.3	101.8	-172.8	-78.5	170	54.2	175.9	-3.7	113.8
312	T	34	Very low	32.5	Very low	145 Å²	145	157.3 Å²	157.3	89%	0.89	83%	0.828	S	S	*	*			trans	-146.8	152.2	144	52.3	0	0	0	0	107.8	S310	S310-T312 PolarHBondContact O-N 3.43Å
313	G	32.5	Very low	32.5	Very low	67 Å²	67	160.5 Å²	160.5	69%	0.691	84%	0.836	S	S	*	*			cis	179.2	126.1	-11.8	0	0	0	0	0	110.2
314	A	33.2	Very low	32.4	Very low	115 Å²	115	159.3 Å²	159.3	95%	0.95	83%	0.831	S	S	*	*			trans	62.2	173.1	-179.3	0	0	0	0	0	117.4
315	G	32.9	Very low	32	Very low	77 Å²	77	157.6 Å²	157.6	79%	0.794	82%	0.817	S	S	*	*			trans	100.5	71.6	172.6	0	0	0	0	0	117.2	T317	G315-T317 PolarHBondContact O-N 3.38Å
316	K	33.1	Very low	32.3	Very low	213 Å²	213	153.7 Å²	153.7	93%	0.926	81%	0.812	S	S	*	*			trans	-81	109	171.2	-75.3	178.1	-178.8	169.5	0	112
317	T	31.8	Very low	32.3	Very low	131 Å²	131	154 Å²	154	80%	0.804	80%	0.8	S	S	*	*			trans	-130.5	141.2	142.6	53.7	0	0	0	0	109	G315 P319	G315-T317 PolarHBondContact O-N 3.38Å; T317-P319 WeakPolarHBondContact O-CD 3.32Å
318	R	30.5	Very low	32.4	Very low	244 Å²	244	159.3 Å²	159.3	92%	0.921	82%	0.816	S	S	*	*			trans	-99.6	113.8	173.4	-79.3	-179.3	171.6	174.4	-3	108.4	Q320	R318-Q320 PolarHBondContact O-N 2.91Å; R318-Q320 VanDerWaalsContact O-N 3.08Å
319	P	30.9	Very low	32.5	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	79%	0.793	S	S	*	*			trans	-61.5	112.5	157.5	-17.4	31.3	0	0	0	107.6	T317 R321	T317-P319 WeakPolarHBondContact O-CD 3.32Å; P319-R321 PolarHBondContact O-N 3.44Å
320	Q	30.9	Very low	32.9	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	77%	0.771	S	S	*	*			trans	-57.5	131.2	173	-168	163.6	-11.8	0	0	108	R318 R322	R318-Q320 PolarHBondContact O-N 2.91Å; R318-Q320 VanDerWaalsContact O-N 3.08Å; Q320-R322 VanDerWaalsContact C-N 3.34Å; Q320-R322 PolarHBondContact O-N 2.94Å
321	R	31.3	Very low	33.6	Very low	242 Å²	242	138.6 Å²	138.6	91%	0.913	74%	0.744	S	S	*	*			trans	-60.2	96.5	-180	-79.8	-175.7	177.8	166.1	-1.6	108.9	P319 V323	P319-R321 PolarHBondContact O-N 3.44Å; R321-V323 PolarHBondContact O-N 3.2Å
322	R	27.3	Very low	35	Very low	217 Å²	217	128.4 Å²	128.4	82%	0.819	71%	0.707	S	S	*	*			trans	-65.2	123	169.3	-158	177.5	-62	-161.7	2.1	106	Q320	Q320-R322 VanDerWaalsContact C-N 3.34Å; Q320-R322 PolarHBondContact O-N 2.94Å
323	V	32.7	Very low	37.4	Very low	125 Å²	125	121.8 Å²	121.8	76%	0.758	67%	0.666	S	S	*	*			trans	-58.4	144.3	174.2	176.3	0	0	0	0	107.8	R321 D325	R321-V323 PolarHBondContact O-N 3.2Å; V323-D325 PolarHBondContact O-N 3.31Å
324	S	31.9	Very low	40	Very low	105 Å²	105	119.2 Å²	119.2	73%	0.734	64%	0.636	S	S	*	*			trans	-34.8	124.2	-177.5	48.9	0	0	0	0	113.5
325	D	26.7	Very low	42.6	Very low	97 Å²	97	114.8 Å²	114.8	52%	0.519	60%	0.596	S	S	.	*			trans	-59.5	138.9	174.9	-106.8	-57.3	0	0	0	110.8	V323 F327	V323-D325 PolarHBondContact O-N 3.31Å; D325-F327 HydrophobicContact CB-CD2 4.2Å; D325-F327 PolarHBondContact O-N 2.94Å
326	P	37.8	Very low	45.3	Very low	116 Å²	116	111.1 Å²	111.1	75%	0.753	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-1.4	179.7	-21.3	33.9	0	0	0	115.4
327	F	36.3	Very low	48.1	Very low	130 Å²	130	101 Å²	101	57%	0.57	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.1	-170.3	-63.9	-76.3	0	0	0	114.4	P188 D325 S329	P188-F327 HydrophobicContact CB-CE1 4.33Å; P188-F327 HydrophobicContact CG-CE1 4.07Å; D325-F327 HydrophobicContact CB-CD2 4.2Å; D325-F327 PolarHBondContact O-N 2.94Å; F327-S329 PolarHBondContact O-N 3.1Å
328	D	35.2	Very low	50.8	Low	164 Å²	164	98.4 Å²	98.4	88%	0.877	50%	0.498	S	S	*	.			trans	-79.8	59.6	-178.5	-154.4	14.4	0	0	0	112
329	S	32.6	Very low	53.6	Low	67 Å²	67	92.5 Å²	92.5	47%	0.469	48%	0.481	S	S	.	.			trans	-123.6	12.9	-171.3	59.9	0	0	0	0	114.4	F327 S331 Q332	F327-S329 PolarHBondContact O-N 3.1Å; S329-S331 VanDerWaalsContact C-N 3.31Å; S329-S331 PolarHBondContact O-N 3.12Å; S329-S331 VanDerWaalsContact O-N 3.11Å; S329-Q332 PolarHBondContact O-NE2 2.72Å
330	V	40.9	Very low	56.3	Low	73 Å²	73	88.9 Å²	88.9	44%	0.442	46%	0.457	S	S	.	.			trans	-89.6	57.9	-175	-165	0	0	0	0	112.1	D292	D292-V330 HydrophobicContact CB-CG1 4.47Å
331	S	46.4	Very low	59.1	Low	30 Å²	30	84.3 Å²	84.3	21%	0.21	45%	0.45	C	S	.	.			trans	-172.1	123.6	157	-104.1	0	0	0	0	110.8	V297 S329	V297-S331 WeakPolarHBondContact CB-OG 3.31Å; V297-S331 WeakPolarHBondContact CG2-OG 3.33Å; V297-S331 PolarHBondContact N-OG 3.41Å; S329-S331 VanDerWaalsContact C-N 3.31Å; S329-S331 PolarHBondContact O-N 3.12Å; S329-S331 VanDerWaalsContact O-N 3.11Å
332	Q	66.6	Low	62	Low	35 Å²	35	74.2 Å²	74.2	16%	0.164	41%	0.413	C	S	.	.			trans	-134.2	-96.7	-157.1	-74.6	-156.5	43.4	0	0	113.3	T197 I201 S329 M336	T197-Q332 HydrophobicContact CG2-CB 3.97Å; I201-Q332 HydrophobicContact CD1-CB 3.35Å; I201-Q332 HydrophobicContact CD1-CG 3.9Å; S329-Q332 PolarHBondContact O-NE2 2.72Å; Q332-M336 WeakPolarHBondContact O-CB 3.29Å; Q332-M336 PolarHBondContact O-N 2.93Å
333	L	84.2	Confident	65	Low	6 Å²	6	65.5 Å²	65.5	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-45.8	-163.1	-72.2	164.7	0	0	0	114.5	I49 T197 I201 M218 L220 S293 L337	I49-L333 HydrophobicContact CD1-CD1 4.03Å; T197-L333 HydrophobicContact CG2-CD1 4.27Å; T197-L333 HydrophobicContact CG2-CG 4.11Å; I201-L333 HydrophobicContact CD1-CD2 4.25Å; I201-L333 HydrophobicContact CD1-CG 4.36Å; I201-L333 HydrophobicContact CG1-CD2 3.95Å; M218-L333 HydrophobicContact CE-CD2 4.21Å; L220-L333 HydrophobicContact CD1-CD2 4.49Å; L220-L333 HydrophobicContact CD2-CD1 3.66Å; L220-L333 HydrophobicContact CD2-CD2 4.17Å; L220-L333 HydrophobicContact CD2-CG 4.47Å; S293-L333 WeakPolarHBondContact O-CB 3.2Å; S293-L333 WeakPolarHBondContact O-CD1 3.41Å; S293-L333 VanDerWaalsContact O-CG 3.3Å; S293-L333 WeakPolarHBondContact O-CG 3.45Å; S293-L333 PolarHBondContact O-N 3.38Å; L333-L337 PolarHBondContact O-N 3.01Å
334	F	87.4	Confident	67.8	Low	13 Å²	13	66.2 Å²	66.2	6%	0.057	38%	0.378	C	S	.	.	H	α-helix	trans	-67.6	-48.3	-179.4	179	-89.2	0	0	0	111.4	I70 V294 Q296 M336 L337 V338 L343	I70-F334 HydrophobicContact CG2-CB 4.37Å; I70-F334 HydrophobicContact CG2-CD2 3.63Å; I70-F334 HydrophobicContact CG2-CE2 4.2Å; I70-F334 HydrophobicContact CG2-CG 4.11Å; V294-F334 WeakPolarHBondContact O-CB 3.25Å; Q296-F334 HydrophobicContact CB-CD1 3.47Å; Q296-F334 VanDerWaalsContact CB-CD1 3.47Å; Q296-F334 HydrophobicContact CB-CE1 3.9Å; Q296-F334 HydrophobicContact CB-CG 4.22Å; Q296-F334 HydrophobicContact CG-CD1 3.55Å; Q296-F334 HydrophobicContact CG-CE1 3.51Å; F334-M336 VanDerWaalsContact C-N 3.32Å; F334-M336 PolarHBondContact O-N 2.91Å; F334-L337 PolarHBondContact O-N 2.88Å; F334-L337 VanDerWaalsContact O-N 3.1Å; F334-V338 HydrophobicContact CD1-CG2 3.99Å; F334-V338 HydrophobicContact CE1-CG2 3.46Å; F334-V338 VanDerWaalsContact CE1-CG2 3.46Å; F334-V338 HydrophobicContact CZ-CG2 3.84Å; F334-V338 PolarHBondContact O-N 2.87Å; F334-V338 VanDerWaalsContact O-N 3.14Å; F334-L343 HydrophobicContact CD2-CD1 3.95Å; F334-L343 HydrophobicContact CD2-CD2 4.41Å; F334-L343 HydrophobicContact CE1-CD2 4.44Å; F334-L343 HydrophobicContact CE2-CD1 3.67Å; F334-L343 HydrophobicContact CE2-CD2 3.45Å; F334-L343 VanDerWaalsContact CE2-CD2 3.45Å; F334-L343 HydrophobicContact CE2-CG 4.22Å; F334-L343 HydrophobicContact CZ-CD1 4.49Å; F334-L343 HydrophobicContact CZ-CD2 3.48Å; F334-L343 VanDerWaalsContact CZ-CD2 3.48Å
335	N	86.9	Confident	70.7	Confident	22 Å²	22	63.1 Å²	63.1	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-40.5	179.3	-85.5	13.6	0	0	0	112.2	Q296 V297 L337 V338 E339	Q296-N335 WeakPolarHBondContact CA-OD1 3.39Å; V297-N335 PolarHBondContact N-ND2 3.39Å; V297-N335 PolarHBondContact O-ND2 2.86Å; N335-L337 VanDerWaalsContact C-N 3.27Å; N335-L337 PolarHBondContact O-N 2.88Å; N335-V338 WeakPolarHBondContact O-CB 3.27Å; N335-V338 PolarHBondContact O-N 2.89Å; N335-V338 VanDerWaalsContact O-N 3.08Å; N335-E339 WeakPolarHBondContact O-CB 3.21Å; N335-E339 VanDerWaalsContact O-CG 3.27Å; N335-E339 WeakPolarHBondContact O-CG 3.5Å; N335-E339 PolarHBondContact O-N 3.37Å
336	M	89.8	Confident	73.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-55.8	-39.9	174.5	175.8	-79.2	-63.3	0	0	112.5	I201 F204 R205 Q332 F334 T340	I201-M336 HydrophobicContact CG1-CB 4.3Å; I201-M336 HydrophobicContact CG1-CE 4.41Å; I201-M336 HydrophobicContact CG1-CG 4.24Å; I201-M336 HydrophobicContact CG2-CB 4.44Å; I201-M336 HydrophobicContact CG2-CG 4.03Å; F204-M336 HydrophobicContact CB-CE 3.89Å; F204-M336 HydrophobicContact CB-SD 3.98Å; F204-M336 HydrophobicContact CD1-CE 3.85Å; F204-M336 HydrophobicContact CD1-SD 3.19Å; F204-M336 WeakPolarHBondContact CD1-SD 3.23Å; F204-M336 HydrophobicContact CD2-CE 4.15Å; F204-M336 HydrophobicContact CE1-CE 4.38Å; F204-M336 HydrophobicContact CE1-SD 3.72Å; F204-M336 HydrophobicContact CG-CE 3.71Å; F204-M336 HydrophobicContact CG-SD 3.68Å; R205-M336 HydrophobicContact CG-CG 3.87Å; Q332-M336 WeakPolarHBondContact O-CB 3.29Å; Q332-M336 PolarHBondContact O-N 2.93Å; F334-M336 VanDerWaalsContact C-N 3.32Å; F334-M336 PolarHBondContact O-N 2.91Å; M336-T340 VanDerWaalsContact O-CG2 3.29Å; M336-T340 WeakPolarHBondContact O-CG2 3.39Å; M336-T340 PolarHBondContact O-N 2.88Å; M336-T340 PolarHBondContact O-OG1 2.91Å; M336-T340 VanDerWaalsContact O-OG1 3.05Å; M336-T340 HydrophobicContact SD-CG2 4.41Å
337	L	90.9	Very high	76.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-72.7	-30.1	177.2	-68.4	173.5	0	0	0	113.6	I47 F204 L333 F334 N335 A341 E342 L343 T346 I348	I47-L337 HydrophobicContact CD1-CD1 4.02Å; I47-L337 HydrophobicContact CD1-CD2 4.25Å; I47-L337 HydrophobicContact CD1-CG 4.5Å; F204-L337 HydrophobicContact CE1-CD2 3.84Å; F204-L337 HydrophobicContact CE2-CD2 3.96Å; F204-L337 HydrophobicContact CZ-CD2 3.46Å; F204-L337 VanDerWaalsContact CZ-CD2 3.46Å; L333-L337 PolarHBondContact O-N 3.01Å; F334-L337 PolarHBondContact O-N 2.88Å; F334-L337 VanDerWaalsContact O-N 3.1Å; N335-L337 VanDerWaalsContact C-N 3.27Å; N335-L337 PolarHBondContact O-N 2.88Å; L337-A341 PolarHBondContact O-N 2.76Å; L337-E342 HydrophobicContact CD2-CB 4.16Å; L337-E342 PolarHBondContact O-N 3.31Å; L337-L343 HydrophobicContact CB-CB 4.02Å; L337-L343 HydrophobicContact CB-CD1 4.04Å; L337-L343 HydrophobicContact CD1-CD1 4.06Å; L337-L343 PolarHBondContact O-N 2.87Å; L337-L343 VanDerWaalsContact O-N 3.09Å; L337-T346 HydrophobicContact CD1-CG2 3.89Å; L337-T346 HydrophobicContact CD2-CG2 4.14Å; L337-I348 HydrophobicContact CD1-CD1 3.63Å; L337-I348 HydrophobicContact CD1-CG1 4.21Å
338	V	90.1	Very high	79.6	Confident	76 Å²	76	48 Å²	48	46%	0.461	27%	0.271	S	S	.	.	H	α-helix	trans	-69.6	-51	172.6	174.8	0	0	0	0	110	F334 N335 T340 A341 L343	F334-V338 HydrophobicContact CD1-CG2 3.99Å; F334-V338 HydrophobicContact CE1-CG2 3.46Å; F334-V338 VanDerWaalsContact CE1-CG2 3.46Å; F334-V338 HydrophobicContact CZ-CG2 3.84Å; F334-V338 PolarHBondContact O-N 2.87Å; F334-V338 VanDerWaalsContact O-N 3.14Å; N335-V338 WeakPolarHBondContact O-CB 3.27Å; N335-V338 PolarHBondContact O-N 2.89Å; N335-V338 VanDerWaalsContact O-N 3.08Å; V338-T340 VanDerWaalsContact C-N 3.31Å; V338-T340 PolarHBondContact O-N 3.03Å; V338-A341 PolarHBondContact O-N 3.45Å; V338-L343 HydrophobicContact CG2-CD2 3.81Å
339	E	88.8	Confident	82.6	Confident	119 Å²	119	40.2 Å²	40.2	56%	0.556	23%	0.229	S	C	*	.	H	α-helix	trans	-57.3	-40.7	177.7	-70.4	165.7	-164.8	0	0	112.8	R205 N335 A341	R205-E339 IonicContact CZ-OE2 2.92Å; R205-E339 IonicContact NE-OE2 3.91Å; R205-E339 IonicContact NH2-OE1 2.83Å; R205-E339 PolarHBondContact NH2-OE1 3.4Å; R205-E339 IonicContact NH2-OE2 2.73Å; R205-E339 PolarHBondContact NH2-OE2 2.97Å; N335-E339 WeakPolarHBondContact O-CB 3.21Å; N335-E339 VanDerWaalsContact O-CG 3.27Å; N335-E339 WeakPolarHBondContact O-CG 3.5Å; N335-E339 PolarHBondContact O-N 3.37Å; E339-A341 VanDerWaalsContact C-N 3.27Å; E339-A341 PolarHBondContact O-N 3.04Å
340	T	87.2	Confident	85.7	Confident	46 Å²	46	37 Å²	37	28%	0.282	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.4	178.1	66.6	0	0	0	0	113.3	R205 M336 V338 E342	R205-T340 HydrophobicContact CG-CG2 4.39Å; M336-T340 VanDerWaalsContact O-CG2 3.29Å; M336-T340 WeakPolarHBondContact O-CG2 3.39Å; M336-T340 PolarHBondContact O-N 2.88Å; M336-T340 PolarHBondContact O-OG1 2.91Å; M336-T340 VanDerWaalsContact O-OG1 3.05Å; M336-T340 HydrophobicContact SD-CG2 4.41Å; V338-T340 VanDerWaalsContact C-N 3.31Å; V338-T340 PolarHBondContact O-N 3.03Å; T340-E342 PolarHBondContact O-N 2.81Å; T340-E342 VanDerWaalsContact O-N 3.17Å
341	A	90.5	Very high	88.4	Confident	87 Å²	87	33.7 Å²	33.7	72%	0.719	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	28	-174.8	0	0	0	0	0	114.9	L337 V338 E339	L337-A341 PolarHBondContact O-N 2.76Å; V338-A341 PolarHBondContact O-N 3.45Å; E339-A341 VanDerWaalsContact C-N 3.27Å; E339-A341 PolarHBondContact O-N 3.04Å
342	E	92.6	Very high	90.8	Very high	29 Å²	29	32.3 Å²	32.3	14%	0.136	18%	0.177	C	C	.	.			trans	-100.6	-5.2	-178.2	-75	-78.6	-179.3	0	0	112.9	N45 F204 K208 L337 T340 E344 N345 T346	N45-E342 PolarHBondContact ND2-OE2 3.25Å; F204-E342 HydrophobicContact CE1-CB 4.23Å; F204-E342 HydrophobicContact CE1-CG 4.22Å; F204-E342 HydrophobicContact CZ-CB 4.12Å; F204-E342 HydrophobicContact CZ-CG 4.33Å; K208-E342 HydrophobicContact CD-CG 4.27Å; K208-E342 VanDerWaalsContact CD-OE1 3.3Å; K208-E342 WeakPolarHBondContact CD-OE1 3.4Å; K208-E342 WeakPolarHBondContact CE-OE1 3.24Å; K208-E342 HydrophobicContact CG-CG 4.46Å; K208-E342 IonicContact NZ-OE1 2.65Å; K208-E342 PolarHBondContact NZ-OE1 3.49Å; K208-E342 IonicContact NZ-OE2 3.48Å; K208-E342 PolarHBondContact NZ-OE2 3.01Å; K208-E342 VanDerWaalsContact NZ-OE2 3.1Å; L337-E342 HydrophobicContact CD2-CB 4.16Å; L337-E342 PolarHBondContact O-N 3.31Å; T340-E342 PolarHBondContact O-N 2.81Å; T340-E342 VanDerWaalsContact O-N 3.17Å; E342-E344 PolarHBondContact O-N 2.89Å; E342-N345 CarbonylContact O-C 3.55Å; E342-N345 WeakPolarHBondContact O-CA 3.16Å; E342-N345 PolarHBondContact O-N 2.98Å; E342-N345 PolarHBondContact OE2-ND2 3.27Å; E342-T346 WeakPolarHBondContact O-CB 3.09Å; E342-T346 PolarHBondContact O-N 2.82Å; E342-T346 VanDerWaalsContact O-N 3.16Å; E342-T346 PolarHBondContact O-OG1 2.97Å
343	L	90.4	Very high	92.3	Very high	35 Å²	35	30.7 Å²	30.7	18%	0.183	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.6	-43.9	-177.3	-175.6	67.2	0	0	0	113.2	F334 L337 V338 N345 T346 I348	F334-L343 HydrophobicContact CD2-CD1 3.95Å; F334-L343 HydrophobicContact CD2-CD2 4.41Å; F334-L343 HydrophobicContact CE1-CD2 4.44Å; F334-L343 HydrophobicContact CE2-CD1 3.67Å; F334-L343 HydrophobicContact CE2-CD2 3.45Å; F334-L343 VanDerWaalsContact CE2-CD2 3.45Å; F334-L343 HydrophobicContact CE2-CG 4.22Å; F334-L343 HydrophobicContact CZ-CD1 4.49Å; F334-L343 HydrophobicContact CZ-CD2 3.48Å; F334-L343 VanDerWaalsContact CZ-CD2 3.48Å; L337-L343 HydrophobicContact CB-CB 4.02Å; L337-L343 HydrophobicContact CB-CD1 4.04Å; L337-L343 HydrophobicContact CD1-CD1 4.06Å; L337-L343 PolarHBondContact O-N 2.87Å; L337-L343 VanDerWaalsContact O-N 3.09Å; V338-L343 HydrophobicContact CG2-CD2 3.81Å; L343-N345 PolarHBondContact O-N 2.83Å; L343-T346 PolarHBondContact O-N 3.01Å; L343-I348 HydrophobicContact CD1-CD1 4.45Å
344	E	89.8	Confident	92.8	Very high	140 Å²	140	30.4 Å²	30.4	65%	0.654	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-61.3	-24.8	175.4	-66.2	-170	163.3	0	0	113	R39 E342 P384	R39-E344 IonicContact CZ-OE2 2.73Å; R39-E344 IonicContact NH1-OE2 3.8Å; R39-E344 PolarHBondContact NH1-OE2 3.11Å; R39-E344 IonicContact NH2-OE2 2.83Å; E342-E344 PolarHBondContact O-N 2.89Å; E344-P384 WeakPolarHBondContact O-CG 3.23Å
345	N	93.1	Very high	93.2	Very high	39 Å²	39	29.8 Å²	29.8	21%	0.209	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-106	12.5	-172.6	-173	49.2	0	0	0	112.3	P44 N45 E342 L343	P44-N345 CarbonylContact C-O 3.47Å; P44-N345 VanDerWaalsContact CA-O 3.27Å; P44-N345 WeakPolarHBondContact CA-O 3.32Å; P44-N345 VanDerWaalsContact CB-O 3.3Å; P44-N345 WeakPolarHBondContact CB-O 3.46Å; N45-N345 PolarHBondContact N-O 2.91Å; E342-N345 CarbonylContact O-C 3.55Å; E342-N345 WeakPolarHBondContact O-CA 3.16Å; E342-N345 PolarHBondContact O-N 2.98Å; E342-N345 PolarHBondContact OE2-ND2 3.27Å; L343-N345 PolarHBondContact O-N 2.83Å
346	T	94.8	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.8	-173.7	-59	0	0	0	0	111	N45 I47 L337 E342 L343 I348 G383	N45-T346 HydrophobicContact CB-CG2 4.06Å; N45-T346 PolarHBondContact ND2-OG1 3.33Å; N45-T346 WeakPolarHBondContact O-CA 3.4Å; I47-T346 HydrophobicContact CD1-CG2 3.98Å; I47-T346 HydrophobicContact CG1-CG2 3.93Å; L337-T346 HydrophobicContact CD1-CG2 3.89Å; L337-T346 HydrophobicContact CD2-CG2 4.14Å; E342-T346 WeakPolarHBondContact O-CB 3.09Å; E342-T346 PolarHBondContact O-N 2.82Å; E342-T346 VanDerWaalsContact O-N 3.16Å; E342-T346 PolarHBondContact O-OG1 2.97Å; L343-T346 PolarHBondContact O-N 3.01Å; T346-I348 HydrophobicContact CG2-CG1 4.07Å; T346-G383 WeakPolarHBondContact O-CA 3.07Å
347	Y	96.2	Very high	93.9	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	128.4	161.5	-75.3	-89.3	0	0	0	109.4	P44 N45 I46 I47 I381 R382 P384 V386 I408 L423	P44-Y347 HydrophobicContact CB-CD2 3.95Å; P44-Y347 HydrophobicContact CB-CE2 4.15Å; P44-Y347 HydrophobicContact CG-CD2 3.87Å; P44-Y347 HydrophobicContact CG-CE2 3.82Å; N45-Y347 PolarHBondContact O-N 3Å; I46-Y347 CarbonylContact C-O 3.1Å; I46-Y347 WeakPolarHBondContact CA-O 3.42Å; I47-Y347 PolarHBondContact N-O 2.85Å; Y347-I381 HydrophobicContact CD1-CD1 4.12Å; Y347-I381 HydrophobicContact CD1-CG1 4.31Å; Y347-R382 CarbonylContact C-O 3.59Å; Y347-R382 VanDerWaalsContact CA-O 3.27Å; Y347-R382 WeakPolarHBondContact CA-O 3.46Å; Y347-P384 HydrophobicContact CD2-CG 4.16Å; Y347-P384 HydrophobicContact CE2-CB 4.12Å; Y347-P384 HydrophobicContact CE2-CG 3.77Å; Y347-P384 PolarHBondContact OH-O 2.95Å; Y347-P384 VanDerWaalsContact OH-O 3.04Å; Y347-V386 HydrophobicContact CD1-CG2 4.28Å; Y347-V386 HydrophobicContact CE1-CG2 3.81Å; Y347-I408 HydrophobicContact CD1-CD1 4.12Å; Y347-I408 HydrophobicContact CD2-CB 4.48Å; Y347-I408 HydrophobicContact CD2-CD1 4.27Å; Y347-I408 HydrophobicContact CD2-CG1 4.26Å; Y347-I408 HydrophobicContact CD2-CG2 3.37Å; Y347-I408 HydrophobicContact CE1-CD1 4.47Å; Y347-I408 HydrophobicContact CE2-CB 4.49Å; Y347-I408 HydrophobicContact CE2-CG1 4.2Å; Y347-I408 HydrophobicContact CE2-CG2 3.6Å; Y347-I408 HydrophobicContact CG-CD1 3.98Å; Y347-I408 HydrophobicContact CG-CG1 4.43Å; Y347-I408 HydrophobicContact CG-CG2 4.11Å; Y347-L423 HydrophobicContact CE1-CD2 4.33Å
348	I	96.9	Very high	94.1	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.8	167.8	-47.2	176.5	0	0	0	106.9	I47 I49 M71 L337 L343 T346 I381 R382	I47-I348 CarbonylContact O-C 3.36Å; I47-I348 WeakPolarHBondContact O-CA 3.4Å; I49-I348 HydrophobicContact CD1-CG2 4.04Å; I49-I348 HydrophobicContact CG1-CG2 4.36Å; M71-I348 HydrophobicContact CE-CG2 4.37Å; M71-I348 HydrophobicContact SD-CB 4.47Å; M71-I348 HydrophobicContact SD-CG2 4.16Å; L337-I348 HydrophobicContact CD1-CD1 3.63Å; L337-I348 HydrophobicContact CD1-CG1 4.21Å; L343-I348 HydrophobicContact CD1-CD1 4.45Å; T346-I348 HydrophobicContact CG2-CG1 4.07Å; I348-I381 WeakPolarHBondContact O-CA 3.14Å; I348-R382 HydrophobicContact CB-CG 3.79Å; I348-R382 HydrophobicContact CD1-CG 4.4Å; I348-R382 HydrophobicContact CG1-CG 4.29Å; I348-R382 PolarHBondContact N-O 3.05Å; I348-R382 PolarHBondContact O-N 3.45Å
349	I	97.9	Very high	94.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.9	176.4	-55.5	173.3	0	0	0	107	I47 L48 I49 F379 Y380 I381 L401 I405 I408	I47-I349 PolarHBondContact O-N 3.06Å; L48-I349 HydrophobicContact CD1-CB 3.92Å; L48-I349 HydrophobicContact CD1-CG2 3.81Å; I49-I349 PolarHBondContact N-O 2.82Å; I349-F379 HydrophobicContact CG2-CE1 4.47Å; I349-F379 HydrophobicContact CG2-CE2 4.32Å; I349-F379 HydrophobicContact CG2-CZ 4.01Å; I349-Y380 WeakPolarHBondContact CA-O 3.44Å; I349-I381 HydrophobicContact CD1-CD1 4.16Å; I349-I381 HydrophobicContact CG1-CD1 3.82Å; I349-I381 HydrophobicContact CG1-CG1 3.93Å; I349-L401 HydrophobicContact CG2-CD2 3.9Å; I349-I405 HydrophobicContact CD1-CG1 4.39Å; I349-I408 HydrophobicContact CD1-CD1 4.41Å
350	Y	97.9	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.4	175.8	-179.7	-80.1	0	0	0	109.9	I49 T51 Q54 M61 M64 T67 P378 F379 Y380	I49-Y350 HydrophobicContact CB-CD2 3.94Å; I49-Y350 HydrophobicContact CG2-CD2 3.69Å; I49-Y350 HydrophobicContact CG2-CE2 3.97Å; I49-Y350 WeakPolarHBondContact O-CA 3.46Å; T51-Y350 HydrophobicContact CG2-CE2 4.38Å; T51-Y350 WeakPolarHBondContact CG2-OH 3.37Å; Q54-Y350 PolarHBondContact NE2-OH 3.39Å; Q54-Y350 PolarHBondContact OE1-OH 2.76Å; Q54-Y350 VanDerWaalsContact OE1-OH 3.04Å; M61-Y350 HydrophobicContact CE-CE1 4.2Å; M61-Y350 HydrophobicContact SD-CE1 3.69Å; M64-Y350 HydrophobicContact CE-CE2 4.07Å; M64-Y350 VanDerWaalsContact CE-OH 3.27Å; M64-Y350 WeakPolarHBondContact CE-OH 3.5Å; M64-Y350 PolarHBondContact SD-OH 3.41Å; T67-Y350 HydrophobicContact CG2-CD2 3.7Å; T67-Y350 HydrophobicContact CG2-CE2 3.65Å; T67-Y350 HydrophobicContact CG2-CG 4.22Å; Y350-P378 HydrophobicContact CE1-CB 4.32Å; Y350-P378 HydrophobicContact CE1-CG 4.14Å; Y350-F379 WeakPolarHBondContact O-CA 3.49Å; Y350-Y380 HydrophobicContact CD1-CD2 4.18Å; Y350-Y380 PolarHBondContact N-O 3.44Å; Y350-Y380 PolarHBondContact O-N 2.95Å
351	T	98	Very high	95.1	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.025	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	179.5	176.3	-164.8	0	0	0	0	112.9	L48 I49 L50 T51 M95 P378 L401	L48-T351 HydrophobicContact CD1-CG2 4.35Å; I49-T351 PolarHBondContact O-N 2.95Å; I49-T351 VanDerWaalsContact O-N 3.09Å; L50-T351 WeakPolarHBondContact CA-O 3.3Å; L50-T351 HydrophobicContact CD1-CG2 4.33Å; T51-T351 PolarHBondContact N-O 2.58Å; T51-T351 VanDerWaalsContact N-O 3.07Å; T51-T351 PolarHBondContact OG1-O 3.4Å; M95-T351 HydrophobicContact CE-CG2 4.15Å; T351-P378 WeakPolarHBondContact CA-O 3.31Å; T351-P378 VanDerWaalsContact CB-O 3.3Å; T351-P378 WeakPolarHBondContact CB-O 3.37Å; T351-P378 PolarHBondContact OG1-O 2.69Å; T351-L401 HydrophobicContact CG2-CD1 4.08Å
352	S	97.7	Very high	95.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	164.7	173.9	-150	0	0	0	0	112.9	L50 T51 Q54	L50-S352 VanDerWaalsContact CD1-C 3.46Å; T51-S352 WeakPolarHBondContact OG1-CA 3.21Å; T51-S352 WeakPolarHBondContact OG1-CB 3.45Å; T51-S352 PolarHBondContact OG1-OG 3.09Å; Q54-S352 VanDerWaalsContact CB-OG 3.24Å; Q54-S352 WeakPolarHBondContact CB-OG 3.45Å; Q54-S352 PolarHBondContact N-OG 2.89Å; Q54-S352 VanDerWaalsContact N-OG 3.11Å
353	D	96.4	Very high	95.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-83	-22.2	176.7	78.6	-34.9	0	0	0	113.8	L50 D52 D53 V83 C88 S91 R92 M95	L50-D353 HydrophobicContact CD1-CB 4.22Å; D52-D353 WeakPolarHBondContact CA-OD1 3.17Å; D52-D353 VanDerWaalsContact OD1-OD2 3.14Å; D53-D353 PolarHBondContact N-OD1 3.24Å; D53-D353 VanDerWaalsContact N-OD1 3.12Å; V83-D353 WeakPolarHBondContact CG1-O 3.46Å; C88-D353 WeakPolarHBondContact CA-OD2 3.42Å; C88-D353 VanDerWaalsContact CB-OD2 3.23Å; C88-D353 WeakPolarHBondContact CB-OD2 3.36Å; S91-D353 WeakPolarHBondContact CB-O 3.23Å; S91-D353 PolarHBondContact OG-O 2.81Å; R92-D353 HydrophobicContact CG-CB 3.83Å; R92-D353 IonicContact CZ-OD2 3.93Å; R92-D353 IonicContact NE-OD2 3.15Å; R92-D353 PolarHBondContact NE-OD2 2.89Å; R92-D353 IonicContact NH2-OD1 3.44Å; R92-D353 IonicContact NH2-OD2 2.83Å; R92-D353 PolarHBondContact NH2-OD2 3.18Å; M95-D353 HydrophobicContact SD-CB 4.22Å
354	H	96.5	Very high	95.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.			trans	-176.2	170.3	162.7	55.4	64	0	0	0	110.3	D53 Q54 V83 M87 C88 K367	D53-H354 CarbonylContact C-O 3.53Å; D53-H354 IonicContact OD1-CE1 3.48Å; D53-H354 PolarHBondContact OD1-CE1 3.24Å; D53-H354 IonicContact OD1-NE2 2.72Å; Q54-H354 PolarHBondContact N-O 3.09Å; V83-H354 HydrophobicContact CG1-CB 4.33Å; V83-H354 HydrophobicContact CG2-CB 3.72Å; M87-H354 PolarHBondContact N-CD2 2.78Å; C88-H354 PolarHBondContact N-CD2 3.27Å; C88-H354 VanDerWaalsContact N-CD2 3.27Å; C88-H354 PolarHBondContact N-NE2 3.18Å; C88-H354 PolarHBondContact SG-NE2 3.48Å; H354-K367 WeakPolarHBondContact CE1-CD 3.05Å
355	G	95.8	Very high	95.5	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.			trans	-74.6	-164.8	174.3	0	0	0	0	0	114.3	F373 D374	G355-F373 CarbonylContact C-O 3.59Å; G355-F373 VanDerWaalsContact CA-O 3.26Å; G355-F373 WeakPolarHBondContact CA-O 3.32Å; G355-D374 WeakPolarHBondContact CA-O 3.48Å; G355-D374 PolarHBondContact N-O 3.07Å
356	Y	95.9	Very high	95.4	Very high	12 Å²	12	4.1 Å²	4.1	5%	0.047	2%	0.022	C	C	.	.			trans	-162.7	156.2	-175	-159.4	-99.8	0	0	0	112.1	D53 I358 K365 G366 K367 F373 D374	D53-Y356 HydrophobicContact CB-CD2 3.63Å; D53-Y356 HydrophobicContact CB-CE2 4.16Å; D53-Y356 HydrophobicContact CB-CG 4.31Å; D53-Y356 WeakPolarHBondContact OD2-CD2 3.21Å; D53-Y356 WeakPolarHBondContact OD2-CE2 3.43Å; Y356-I358 HydrophobicContact CD1-CD1 4.39Å; Y356-I358 HydrophobicContact CD1-CG1 3.82Å; Y356-I358 HydrophobicContact CE1-CG1 3.9Å; Y356-K365 HydrophobicContact CE1-CB 4.21Å; Y356-K365 WeakPolarHBondContact OH-CD 3.35Å; Y356-K365 WeakPolarHBondContact OH-CG 3.49Å; Y356-G366 WeakPolarHBondContact CD2-O 3.37Å; Y356-G366 VanDerWaalsContact CE2-O 3.25Å; Y356-G366 WeakPolarHBondContact CE2-O 3.45Å; Y356-G366 VanDerWaalsContact CG-O 3.23Å; Y356-K367 HydrophobicContact CD2-CB 4.3Å; Y356-F373 PolarHBondContact N-O 3.33Å; Y356-D374 WeakPolarHBondContact CA-OD1 3.36Å
357	H	95.3	Very high	95.2	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	B	Isolated β-bridge	trans	-126.8	149.6	173.6	55.1	-97.1	0	0	0	114.8	Q360 L363 K365 G366 K367 F373 D374	H357-Q360 HydrophobicContact CB-CB 4.21Å; H357-L363 VanDerWaalsContact CD2-CB 3.42Å; H357-L363 WeakPolarHBondContact CD2-CB 3.33Å; H357-K365 WeakPolarHBondContact O-CA 3.49Å; H357-G366 PolarHBondContact CD2-N 2.9Å; H357-G366 PolarHBondContact N-O 3.14Å; H357-G366 PolarHBondContact ND1-O 3.2Å; H357-G366 WeakPolarHBondContact NE2-CA 3.42Å; H357-G366 PolarHBondContact NE2-N 2.72Å; H357-G366 PolarHBondContact O-N 3.12Å; H357-K367 VanDerWaalsContact CE1-CA 3.43Å; H357-K367 WeakPolarHBondContact CE1-CA 3.39Å; H357-K367 PolarHBondContact CE1-N 2.55Å; H357-F373 HydrophobicContact CB-CD2 3.55Å; H357-F373 HydrophobicContact CB-CE2 3.59Å; H357-F373 HydrophobicContact CB-CG 4.27Å; H357-F373 HydrophobicContact CB-CZ 4.32Å; H357-F373 AromaticContact CG-CE2 3.8Å; H357-F373 AromaticContact ND1-CD2 3.95Å; H357-F373 AromaticContact ND1-CE2 3.56Å; H357-D374 IonicContact CE1-OD1 2.76Å; H357-D374 IonicContact CE1-OD2 3.35Å; H357-D374 PolarHBondContact CE1-OD2 2.7Å; H357-D374 IonicContact CG-OD1 2.83Å; H357-D374 PolarHBondContact N-OD1 3.29Å; H357-D374 VanDerWaalsContact ND1-CG 3.34Å; H357-D374 IonicContact ND1-OD1 3.68Å; H357-D374 PolarHBondContact ND1-OD1 3.49Å; H357-D374 IonicContact ND1-OD2 3.52Å; H357-D374 PolarHBondContact ND1-OD2 3.5Å
358	I	95.2	Very high	94.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	S	Bend	trans	-142.3	86.3	-176.8	-55.5	176.8	0	0	0	108	L58 Y250 T276 L279 Q280 R283 Y356 Q360	L58-I358 HydrophobicContact CD1-CB 4.15Å; L58-I358 HydrophobicContact CD1-CD1 3.69Å; L58-I358 HydrophobicContact CD1-CG1 3.7Å; Y250-I358 WeakPolarHBondContact CD2-O 3.14Å; T276-I358 VanDerWaalsContact CB-CG2 3.48Å; T276-I358 HydrophobicContact CG2-CG2 3.49Å; T276-I358 VanDerWaalsContact CG2-CG2 3.49Å; L279-I358 HydrophobicContact CD2-CD1 4.38Å; L279-I358 HydrophobicContact CD2-CG1 4.19Å; L279-I358 HydrophobicContact CD2-CG2 4.13Å; L279-I358 HydrophobicContact CG-CD1 4.35Å; Q280-I358 HydrophobicContact CB-CD1 3.99Å; Q280-I358 HydrophobicContact CG-CD1 4.49Å; R283-I358 VanDerWaalsContact CD-CD1 3.49Å; Y356-I358 HydrophobicContact CD1-CD1 4.39Å; Y356-I358 HydrophobicContact CD1-CG1 3.82Å; Y356-I358 HydrophobicContact CE1-CG1 3.9Å; I358-Q360 PolarHBondContact O-OE1 2.88Å; I358-Q360 VanDerWaalsContact O-OE1 3.1Å
359	G	95	Very high	94.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	89.7	-13.2	177.9	0	0	0	0	0	115.9	N251 M268 F361 G362 L363	N251-G359 PolarHBondContact N-O 3.07Å; M268-G359 VanDerWaalsContact CE-CA 3.47Å; G359-F361 PolarHBondContact O-N 3.38Å; G359-G362 WeakPolarHBondContact O-CA 3.35Å; G359-G362 PolarHBondContact O-N 3.14Å; G359-L363 WeakPolarHBondContact CA-O 3.27Å; G359-L363 PolarHBondContact N-O 3.16Å
360	Q	95.9	Very high	94.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	B	Isolated β-bridge	trans	-52.9	132	172.3	-75.3	63.3	37.6	0	0	110.9	H245 T247 S249 H357 I358 G362 L363 F373	H245-Q360 PolarHBondContact O-NE2 2.83Å; T247-Q360 PolarHBondContact OG1-NE2 2.86Å; T247-Q360 VanDerWaalsContact OG1-NE2 3.07Å; S249-Q360 CarbonylContact O-C 3.57Å; S249-Q360 WeakPolarHBondContact O-CA 3.14Å; S249-Q360 WeakPolarHBondContact OG-CG 3.45Å; H357-Q360 HydrophobicContact CB-CB 4.21Å; I358-Q360 PolarHBondContact O-OE1 2.88Å; I358-Q360 VanDerWaalsContact O-OE1 3.1Å; Q360-G362 PolarHBondContact O-N 3.34Å; Q360-G362 VanDerWaalsContact O-N 3.1Å; Q360-L363 WeakPolarHBondContact O-CB 3.43Å; Q360-L363 VanDerWaalsContact O-CG 3.27Å; Q360-L363 WeakPolarHBondContact O-CG 3.14Å; Q360-L363 PolarHBondContact O-N 3.31Å; Q360-F373 HydrophobicContact CB-CD1 4.04Å; Q360-F373 HydrophobicContact CB-CE1 3.55Å; Q360-F373 HydrophobicContact CB-CE2 4.48Å; Q360-F373 HydrophobicContact CB-CZ 3.77Å; Q360-F373 HydrophobicContact CG-CD1 3.78Å; Q360-F373 HydrophobicContact CG-CE1 3.81Å; Q360-F373 HydrophobicContact CG-CG 4.39Å; Q360-F373 HydrophobicContact CG-CZ 4.43Å
361	F	95.2	Very high	94.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	27.7	-172.9	-55.4	-57.1	0	0	0	115.4	S249 Y252 N255 K258 M262 T265 G359 L363 Y371 F373 Y828 Q829 L830	S249-F361 PolarHBondContact O-N 2.83Å; Y252-F361 HydrophobicContact CD1-CD1 4.12Å; Y252-F361 HydrophobicContact CD1-CE1 4.21Å; Y252-F361 CarbonylContact O-C 3.58Å; Y252-F361 VanDerWaalsContact O-CA 3.29Å; Y252-F361 WeakPolarHBondContact O-CA 3.43Å; N255-F361 WeakPolarHBondContact OD1-CD1 3.49Å; K258-F361 HydrophobicContact CD-CD1 4.4Å; K258-F361 HydrophobicContact CD-CE1 4.28Å; K258-F361 HydrophobicContact CD-CZ 4.42Å; M262-F361 HydrophobicContact SD-CB 4.06Å; T265-F361 WeakPolarHBondContact CG2-O 3.3Å; G359-F361 PolarHBondContact O-N 3.38Å; F361-L363 VanDerWaalsContact C-N 3.3Å; F361-L363 PolarHBondContact O-N 3.1Å; F361-Y371 AromaticContact CD2-CD2 3.92Å; F361-Y371 HydrophobicContact CD2-CD2 3.92Å; F361-Y371 AromaticContact CD2-CE2 3.81Å; F361-Y371 HydrophobicContact CD2-CE2 3.81Å; F361-Y371 HydrophobicContact CE2-CD1 4.33Å; F361-Y371 AromaticContact CE2-CD2 3.79Å; F361-Y371 HydrophobicContact CE2-CD2 3.79Å; F361-Y371 HydrophobicContact CE2-CE1 4.44Å; F361-Y371 AromaticContact CE2-CE2 3.87Å; F361-Y371 HydrophobicContact CE2-CE2 3.87Å; F361-Y371 HydrophobicContact CE2-CG 4.02Å; F361-F373 HydrophobicContact CD2-CE1 4.03Å; F361-F373 AromaticContact CD2-CZ 3.95Å; F361-F373 HydrophobicContact CD2-CZ 3.95Å; F361-F373 AromaticContact CE2-CE1 3.79Å; F361-F373 HydrophobicContact CE2-CE1 3.79Å; F361-F373 HydrophobicContact CE2-CZ 4.09Å; F361-Y828 WeakPolarHBondContact CZ-O 3.36Å; F361-Q829 HydrophobicContact CZ-CB 4.36Å; F361-Q829 WeakPolarHBondContact CZ-O 3.24Å; F361-L830 HydrophobicContact CE1-CD2 4.2Å
362	G	93.3	Very high	94.4	Very high	4 Å²	4	4.7 Å²	4.7	4%	0.041	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	4.3	-176.1	0	0	0	0	0	114.9	T265 M268 G359 Q360 V364	T265-G362 WeakPolarHBondContact CG2-O 3.35Å; M268-G362 WeakPolarHBondContact CG-O 3.48Å; G359-G362 WeakPolarHBondContact O-CA 3.35Å; G359-G362 PolarHBondContact O-N 3.14Å; Q360-G362 PolarHBondContact O-N 3.34Å; Q360-G362 VanDerWaalsContact O-N 3.1Å; G362-V364 PolarHBondContact O-N 3.08Å; G362-V364 VanDerWaalsContact O-N 3.09Å
363	L	93.3	Very high	94.3	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.025	C	C	.	.			trans	-78.9	91.7	-177.2	-57.6	167.4	0	0	0	110.9	I261 M262 T265 H357 G359 Q360 F361 K365 M369	I261-L363 HydrophobicContact CG2-CD2 4.34Å; M262-L363 HydrophobicContact CE-CD1 3.66Å; M262-L363 HydrophobicContact CE-CD2 3.99Å; M262-L363 HydrophobicContact CE-CG 4.3Å; M262-L363 HydrophobicContact SD-CD1 3.86Å; M262-L363 HydrophobicContact SD-CD2 3.88Å; M262-L363 HydrophobicContact SD-CG 4.04Å; T265-L363 HydrophobicContact CG2-CD2 4.32Å; H357-L363 VanDerWaalsContact CD2-CB 3.42Å; H357-L363 WeakPolarHBondContact CD2-CB 3.33Å; G359-L363 WeakPolarHBondContact CA-O 3.27Å; G359-L363 PolarHBondContact N-O 3.16Å; Q360-L363 WeakPolarHBondContact O-CB 3.43Å; Q360-L363 VanDerWaalsContact O-CG 3.27Å; Q360-L363 WeakPolarHBondContact O-CG 3.14Å; Q360-L363 PolarHBondContact O-N 3.31Å; F361-L363 VanDerWaalsContact C-N 3.3Å; F361-L363 PolarHBondContact O-N 3.1Å; L363-K365 VanDerWaalsContact C-N 3.3Å; L363-K365 PolarHBondContact O-N 3.23Å; L363-M369 HydrophobicContact CD1-CE 4.13Å; L363-M369 HydrophobicContact CD1-CG 4.02Å; L363-M369 HydrophobicContact CD2-CE 4.28Å
364	V	93.1	Very high	94.3	Very high	4 Å²	4	4.8 Å²	4.8	2%	0.024	3%	0.025	C	C	.	.			trans	-39.9	-50.3	-174.6	-171.6	0	0	0	0	114.3	M268 H272 F275 T276 G362 F785 A787 T789	M268-V364 HydrophobicContact CG-CG2 4.46Å; M268-V364 HydrophobicContact SD-CG2 4.21Å; H272-V364 HydrophobicContact CB-CG1 4.09Å; H272-V364 HydrophobicContact CB-CG2 3.91Å; F275-V364 HydrophobicContact CD1-CG1 3.83Å; F275-V364 HydrophobicContact CE1-CG1 4.33Å; T276-V364 HydrophobicContact CG2-CG1 4.4Å; T276-V364 WeakPolarHBondContact CG2-O 3.38Å; G362-V364 PolarHBondContact O-N 3.08Å; G362-V364 VanDerWaalsContact O-N 3.09Å; V364-F785 HydrophobicContact CG1-CE2 4.27Å; V364-A787 HydrophobicContact CB-CB 4.02Å; V364-A787 HydrophobicContact CG1-CB 4.31Å; V364-A787 HydrophobicContact CG2-CB 4.23Å; V364-T789 HydrophobicContact CB-CG2 4.23Å
365	K	92.1	Very high	94.3	Very high	24 Å²	24	4.8 Å²	4.8	10%	0.104	3%	0.025	C	C	.	.	S	Bend	trans	-158.1	150	162.4	85.1	177.3	-165	175.5	0	112.9	E229 F275 L279 Y356 H357 L363 H773 T789	E229-K365 IonicContact OE1-NZ 3.99Å; E229-K365 PolarHBondContact OE1-NZ 3.32Å; E229-K365 IonicContact OE2-NZ 2.72Å; E229-K365 PolarHBondContact OE2-NZ 3.38Å; F275-K365 HydrophobicContact CE1-CD 4.03Å; F275-K365 HydrophobicContact CZ-CD 4.32Å; L279-K365 HydrophobicContact CD1-CD 4.15Å; L279-K365 HydrophobicContact CD2-CB 3.46Å; L279-K365 VanDerWaalsContact CD2-CB 3.46Å; L279-K365 HydrophobicContact CD2-CD 3.41Å; L279-K365 VanDerWaalsContact CD2-CD 3.41Å; L279-K365 HydrophobicContact CD2-CG 4.11Å; L279-K365 HydrophobicContact CG-CD 4.45Å; Y356-K365 HydrophobicContact CE1-CB 4.21Å; Y356-K365 WeakPolarHBondContact OH-CD 3.35Å; Y356-K365 WeakPolarHBondContact OH-CG 3.49Å; H357-K365 WeakPolarHBondContact O-CA 3.49Å; L363-K365 VanDerWaalsContact C-N 3.3Å; L363-K365 PolarHBondContact O-N 3.23Å; K365-H773 PolarHBondContact NZ-CE1 3.47Å; K365-H773 VanDerWaalsContact NZ-CE1 3.28Å; K365-H773 PolarHBondContact NZ-NE2 3.06Å; K365-T789 WeakPolarHBondContact O-CB 3.3Å; K365-T789 WeakPolarHBondContact O-CG2 3.38Å; K365-T789 PolarHBondContact O-OG1 3.26Å
366	G	90.6	Very high	94.3	Very high	10 Å²	10	7.9 Å²	7.9	10%	0.103	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	161.1	-151.8	167.7	0	0	0	0	0	115.2	Y356 H357	Y356-G366 WeakPolarHBondContact CD2-O 3.37Å; Y356-G366 VanDerWaalsContact CE2-O 3.25Å; Y356-G366 WeakPolarHBondContact CE2-O 3.45Å; Y356-G366 VanDerWaalsContact CG-O 3.23Å; H357-G366 PolarHBondContact CD2-N 2.9Å; H357-G366 PolarHBondContact N-O 3.14Å; H357-G366 PolarHBondContact ND1-O 3.2Å; H357-G366 WeakPolarHBondContact NE2-CA 3.42Å; H357-G366 PolarHBondContact NE2-N 2.72Å; H357-G366 PolarHBondContact O-N 3.12Å
367	K	90.7	Very high	94.4	Very high	28 Å²	28	7.7 Å²	7.7	12%	0.122	4%	0.037	C	C	.	.			trans	-155.9	-172.9	-177.1	52.6	-168.9	166.5	-155	0	108.7	D53 C88 H226 H354 Y356 H357 D374	D53-K367 IonicContact OD1-NZ 3.47Å; D53-K367 PolarHBondContact OD1-NZ 2.7Å; D53-K367 IonicContact OD2-NZ 2.7Å; D53-K367 PolarHBondContact OD2-NZ 2.59Å; C88-K367 PolarHBondContact SG-NZ 3.36Å; H226-K367 PolarHBondContact CD2-NZ 2.91Å; H226-K367 VanDerWaalsContact CD2-NZ 3.32Å; H226-K367 PolarHBondContact NE2-NZ 3.46Å; H354-K367 WeakPolarHBondContact CE1-CD 3.05Å; Y356-K367 HydrophobicContact CD2-CB 4.3Å; H357-K367 VanDerWaalsContact CE1-CA 3.43Å; H357-K367 WeakPolarHBondContact CE1-CA 3.39Å; H357-K367 PolarHBondContact CE1-N 2.55Å; K367-D374 WeakPolarHBondContact CA-OD1 3.22Å; K367-D374 VanDerWaalsContact CA-OD2 3.22Å; K367-D374 WeakPolarHBondContact CA-OD2 3.44Å
368	S	91	Very high	94.5	Very high	4 Å²	4	7.7 Å²	7.7	3%	0.028	4%	0.037	C	C	.	.			trans	83.4	13.6	170.9	83.8	0	0	0	0	117.9	P86 M87 D374 R452 Y796	P86-S368 VanDerWaalsContact O-CA 3.29Å; P86-S368 WeakPolarHBondContact O-CA 3.33Å; P86-S368 PolarHBondContact O-N 2.61Å; M87-S368 WeakPolarHBondContact SD-CB 3.32Å; S368-D374 PolarHBondContact N-OD2 3.01Å; S368-R452 VanDerWaalsContact CB-NH1 3.26Å; S368-R452 WeakPolarHBondContact O-CD 3.09Å; S368-R452 PolarHBondContact O-NH1 2.94Å; S368-R452 PolarHBondContact OG-NH1 3.4Å; S368-Y796 WeakPolarHBondContact O-CE1 3.13Å; S368-Y796 PolarHBondContact O-OH 2.96Å
369	M	93.2	Very high	94.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.039	C	C	.	.			trans	-95.8	159.3	170.4	-50.8	-50.2	170.6	0	0	110.9	P86 I261 M262 L363 Y371 F373 D374 T789 Y796	P86-M369 VanDerWaalsContact CG-O 3.29Å; P86-M369 WeakPolarHBondContact CG-O 3.43Å; I261-M369 HydrophobicContact CD1-CE 4.18Å; I261-M369 HydrophobicContact CD1-SD 4.45Å; I261-M369 HydrophobicContact CG2-CE 4.34Å; M262-M369 HydrophobicContact CE-CE 3.68Å; M262-M369 HydrophobicContact CE-CG 3.86Å; M262-M369 HydrophobicContact CE-SD 3.43Å; M262-M369 WeakPolarHBondContact CE-SD 3.38Å; L363-M369 HydrophobicContact CD1-CE 4.13Å; L363-M369 HydrophobicContact CD1-CG 4.02Å; L363-M369 HydrophobicContact CD2-CE 4.28Å; M369-Y371 VanDerWaalsContact C-N 3.28Å; M369-Y371 HydrophobicContact CB-CD2 3.65Å; M369-Y371 HydrophobicContact CB-CE2 4.1Å; M369-Y371 HydrophobicContact CG-CD2 4.46Å; M369-Y371 PolarHBondContact O-N 3.46Å; M369-F373 HydrophobicContact CB-CE2 4.38Å; M369-D374 WeakPolarHBondContact CB-OD2 3.27Å; M369-D374 PolarHBondContact N-OD2 2.99Å; M369-D374 VanDerWaalsContact O-CB 3.28Å; M369-D374 WeakPolarHBondContact O-CB 3.46Å; M369-T789 WeakPolarHBondContact CE-O 3.13Å; M369-Y796 VanDerWaalsContact C-OH 3.26Å; M369-Y796 PolarHBondContact O-OH 3.15Å
370	P	94.9	Very high	94.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-81.6	-2.5	-177.1	33.5	-36.4	0	0	0	114.8	Y796 C798 L809 C811 F813	P370-Y796 HydrophobicContact CB-CD2 4.19Å; P370-Y796 HydrophobicContact CB-CE2 3.83Å; P370-C798 WeakPolarHBondContact CB-SG 3.36Å; P370-L809 WeakPolarHBondContact O-CD2 3.2Å; P370-C811 VanDerWaalsContact CB-SG 3.57Å; P370-F813 HydrophobicContact CG-CZ 4.04Å
371	Y	96.3	Very high	94.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-74.2	156.6	-172.7	-54.1	-53	0	0	0	112.9	H259 M262 F361 M369 F373 D374 I375 E819 F821 Q829	H259-Y371 AromaticContact CE1-CE2 3.96Å; H259-Y371 AromaticContact CE1-CZ 3.93Å; H259-Y371 PolarHBondContact CE1-OH 2.85Å; H259-Y371 PolarHBondContact ND1-OH 3.07Å; M262-Y371 HydrophobicContact CE-CE2 4.25Å; F361-Y371 AromaticContact CD2-CD2 3.92Å; F361-Y371 HydrophobicContact CD2-CD2 3.92Å; F361-Y371 AromaticContact CD2-CE2 3.81Å; F361-Y371 HydrophobicContact CD2-CE2 3.81Å; F361-Y371 HydrophobicContact CE2-CD1 4.33Å; F361-Y371 AromaticContact CE2-CD2 3.79Å; F361-Y371 HydrophobicContact CE2-CD2 3.79Å; F361-Y371 HydrophobicContact CE2-CE1 4.44Å; F361-Y371 AromaticContact CE2-CE2 3.87Å; F361-Y371 HydrophobicContact CE2-CE2 3.87Å; F361-Y371 HydrophobicContact CE2-CG 4.02Å; M369-Y371 VanDerWaalsContact C-N 3.28Å; M369-Y371 HydrophobicContact CB-CD2 3.65Å; M369-Y371 HydrophobicContact CB-CE2 4.1Å; M369-Y371 HydrophobicContact CG-CD2 4.46Å; M369-Y371 PolarHBondContact O-N 3.46Å; Y371-F373 VanDerWaalsContact C-N 3.3Å; Y371-F373 HydrophobicContact CD2-CE1 4.12Å; Y371-F373 HydrophobicContact CD2-CE2 4.08Å; Y371-F373 AromaticContact CD2-CZ 3.47Å; Y371-F373 HydrophobicContact CD2-CZ 3.47Å; Y371-F373 VanDerWaalsContact CD2-CZ 3.47Å; Y371-F373 HydrophobicContact CG-CE1 4.15Å; Y371-F373 HydrophobicContact CG-CE2 4.49Å; Y371-F373 AromaticContact CG-CZ 3.9Å; Y371-F373 HydrophobicContact CG-CZ 3.9Å; Y371-F373 PolarHBondContact O-N 2.96Å; Y371-D374 PolarHBondContact O-N 3.2Å; Y371-I375 PolarHBondContact O-N 2.93Å; Y371-E819 WeakPolarHBondContact CE1-OE2 3.26Å; Y371-E819 PolarHBondContact OH-OE1 2.96Å; Y371-E819 PolarHBondContact OH-OE2 2.84Å; Y371-F821 HydrophobicContact CD1-CE2 4.35Å; Y371-F821 AromaticContact CE1-CE2 3.8Å; Y371-F821 HydrophobicContact CE1-CE2 3.8Å; Y371-F821 AromaticContact CE1-CZ 3.98Å; Y371-F821 HydrophobicContact CE1-CZ 3.98Å; Y371-Q829 HydrophobicContact CD1-CB 4.35Å
372	E	95.4	Very high	94.7	Very high	10 Å²	10	9.8 Å²	9.8	5%	0.047	5%	0.045	C	C	.	.	H	α-helix	trans	-52.1	-44.2	-171.4	-74	-83.7	124.2	0	0	112.8	F82 D374 I375 R376 R800 L823	F82-E372 WeakPolarHBondContact CE1-OE1 3.44Å; E372-D374 PolarHBondContact O-N 3Å; E372-D374 VanDerWaalsContact O-N 3.1Å; E372-I375 PolarHBondContact O-N 2.89Å; E372-I375 VanDerWaalsContact O-N 3.16Å; E372-R376 WeakPolarHBondContact O-CB 3.25Å; E372-R376 PolarHBondContact O-N 3.15Å; E372-R376 WeakPolarHBondContact OE2-CD 3.33Å; E372-R376 IonicContact OE2-CZ 3.75Å; E372-R376 IonicContact OE2-NE 2.81Å; E372-R376 IonicContact OE2-NH1 2.99Å; E372-R376 PolarHBondContact OE2-NH1 3.28Å; E372-R800 IonicContact OE1-CZ 3.79Å; E372-R800 VanDerWaalsContact OE1-CZ 3.24Å; E372-R800 IonicContact OE1-NE 3.18Å; E372-R800 PolarHBondContact OE1-NE 3.07Å; E372-R800 IonicContact OE1-NH2 2.7Å; E372-R800 PolarHBondContact OE1-NH2 3.24Å; E372-R800 IonicContact OE2-NH2 3.55Å; E372-L823 HydrophobicContact CG-CD2 3.27Å
373	F	94.9	Very high	94.6	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-54.3	-29.8	178.3	49.1	-110.4	0	0	0	114.5	E57 G355 Y356 H357 Q360 F361 M369 Y371	E57-F373 HydrophobicContact CB-CB 4.43Å; E57-F373 WeakPolarHBondContact OE2-CB 3.33Å; G355-F373 CarbonylContact C-O 3.59Å; G355-F373 VanDerWaalsContact CA-O 3.26Å; G355-F373 WeakPolarHBondContact CA-O 3.32Å; Y356-F373 PolarHBondContact N-O 3.33Å; H357-F373 HydrophobicContact CB-CD2 3.55Å; H357-F373 HydrophobicContact CB-CE2 3.59Å; H357-F373 HydrophobicContact CB-CG 4.27Å; H357-F373 HydrophobicContact CB-CZ 4.32Å; H357-F373 AromaticContact CG-CE2 3.8Å; H357-F373 AromaticContact ND1-CD2 3.95Å; H357-F373 AromaticContact ND1-CE2 3.56Å; Q360-F373 HydrophobicContact CB-CD1 4.04Å; Q360-F373 HydrophobicContact CB-CE1 3.55Å; Q360-F373 HydrophobicContact CB-CE2 4.48Å; Q360-F373 HydrophobicContact CB-CZ 3.77Å; Q360-F373 HydrophobicContact CG-CD1 3.78Å; Q360-F373 HydrophobicContact CG-CE1 3.81Å; Q360-F373 HydrophobicContact CG-CG 4.39Å; Q360-F373 HydrophobicContact CG-CZ 4.43Å; F361-F373 HydrophobicContact CD2-CE1 4.03Å; F361-F373 AromaticContact CD2-CZ 3.95Å; F361-F373 HydrophobicContact CD2-CZ 3.95Å; F361-F373 AromaticContact CE2-CE1 3.79Å; F361-F373 HydrophobicContact CE2-CE1 3.79Å; F361-F373 HydrophobicContact CE2-CZ 4.09Å; M369-F373 HydrophobicContact CB-CE2 4.38Å; Y371-F373 VanDerWaalsContact C-N 3.3Å; Y371-F373 HydrophobicContact CD2-CE1 4.12Å; Y371-F373 HydrophobicContact CD2-CE2 4.08Å; Y371-F373 AromaticContact CD2-CZ 3.47Å; Y371-F373 HydrophobicContact CD2-CZ 3.47Å; Y371-F373 VanDerWaalsContact CD2-CZ 3.47Å; Y371-F373 HydrophobicContact CG-CE1 4.15Å; Y371-F373 HydrophobicContact CG-CE2 4.49Å; Y371-F373 AromaticContact CG-CZ 3.9Å; Y371-F373 HydrophobicContact CG-CZ 3.9Å; Y371-F373 PolarHBondContact O-N 2.96Å
374	D	96.1	Very high	94.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-94.7	-29.4	-179.8	-91.4	6.5	0	0	0	112.5	P86 G355 Y356 H357 K367 S368 M369 Y371 E372	P86-D374 HydrophobicContact CB-CB 3.95Å; P86-D374 WeakPolarHBondContact CB-O 3.39Å; G355-D374 WeakPolarHBondContact CA-O 3.48Å; G355-D374 PolarHBondContact N-O 3.07Å; Y356-D374 WeakPolarHBondContact CA-OD1 3.36Å; H357-D374 IonicContact CE1-OD1 2.76Å; H357-D374 IonicContact CE1-OD2 3.35Å; H357-D374 PolarHBondContact CE1-OD2 2.7Å; H357-D374 IonicContact CG-OD1 2.83Å; H357-D374 PolarHBondContact N-OD1 3.29Å; H357-D374 VanDerWaalsContact ND1-CG 3.34Å; H357-D374 IonicContact ND1-OD1 3.68Å; H357-D374 PolarHBondContact ND1-OD1 3.49Å; H357-D374 IonicContact ND1-OD2 3.52Å; H357-D374 PolarHBondContact ND1-OD2 3.5Å; K367-D374 WeakPolarHBondContact CA-OD1 3.22Å; K367-D374 VanDerWaalsContact CA-OD2 3.22Å; K367-D374 WeakPolarHBondContact CA-OD2 3.44Å; S368-D374 PolarHBondContact N-OD2 3.01Å; M369-D374 WeakPolarHBondContact CB-OD2 3.27Å; M369-D374 PolarHBondContact N-OD2 2.99Å; M369-D374 VanDerWaalsContact O-CB 3.28Å; M369-D374 WeakPolarHBondContact O-CB 3.46Å; Y371-D374 PolarHBondContact O-N 3.2Å; E372-D374 PolarHBondContact O-N 3Å; E372-D374 VanDerWaalsContact O-N 3.1Å
375	I	97	Very high	94.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-101.1	-22.2	-173.2	68.8	163.2	0	0	0	114.5	F82 V83 P86 Y371 E372 V450	F82-I375 CarbonylContact C-O 3.55Å; F82-I375 VanDerWaalsContact CA-O 3.23Å; F82-I375 WeakPolarHBondContact CA-O 3.26Å; F82-I375 HydrophobicContact CD1-CD1 4.2Å; F82-I375 HydrophobicContact CD1-CG1 4.18Å; V83-I375 PolarHBondContact N-O 2.86Å; P86-I375 HydrophobicContact CB-CG2 4.26Å; P86-I375 HydrophobicContact CG-CG2 4.12Å; Y371-I375 PolarHBondContact O-N 2.93Å; E372-I375 PolarHBondContact O-N 2.89Å; E372-I375 VanDerWaalsContact O-N 3.16Å; I375-V450 HydrophobicContact CD1-CG2 3.92Å; I375-V450 HydrophobicContact CG2-CG1 3.84Å; I375-V450 HydrophobicContact CG2-CG2 4.36Å
376	R	97.1	Very high	94	Very high	66 Å²	66	17.1 Å²	17.1	25%	0.249	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-91.8	136.4	-178.4	-162.9	-178.7	-165	139.7	-3.8	110.1	V56 S79 N80 A81 F82 E372	V56-R376 HydrophobicContact CG2-CG 4.3Å; S79-R376 PolarHBondContact O-NE 3.02Å; S79-R376 PolarHBondContact O-NH2 3.41Å; N80-R376 PolarHBondContact OD1-NH2 2.81Å; A81-R376 WeakPolarHBondContact O-CG 3.26Å; F82-R376 HydrophobicContact CD1-CB 3.9Å; F82-R376 HydrophobicContact CD1-CG 3.99Å; F82-R376 HydrophobicContact CE1-CB 3.88Å; F82-R376 HydrophobicContact CE1-CG 3.7Å; F82-R376 HydrophobicContact CZ-CG 4.39Å; E372-R376 WeakPolarHBondContact O-CB 3.25Å; E372-R376 PolarHBondContact O-N 3.15Å; E372-R376 WeakPolarHBondContact OE2-CD 3.33Å; E372-R376 IonicContact OE2-CZ 3.75Å; E372-R376 IonicContact OE2-NE 2.81Å; E372-R376 IonicContact OE2-NH1 2.99Å; E372-R376 PolarHBondContact OE2-NH1 3.28Å
377	V	97.8	Very high	93.9	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.042	11%	0.112	C	C	.	.			trans	-133.4	153	-176.3	-71.4	0	0	0	0	111	A81 V83	A81-V377 PolarHBondContact O-N 3.25Å; V83-V377 HydrophobicContact CG1-CG1 3.72Å; V83-V377 HydrophobicContact CG1-CG2 3.94Å
378	P	97.1	Very high	93.9	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.14	C	C	.	.			trans	-61.7	142.8	168.4	26.5	-33.7	0	0	0	109.9	M61 Y350 T351 Y380	M61-P378 HydrophobicContact CG-CB 3.76Å; M61-P378 HydrophobicContact CG-CG 4.31Å; M61-P378 HydrophobicContact SD-CB 3.69Å; M61-P378 HydrophobicContact SD-CG 4Å; Y350-P378 HydrophobicContact CE1-CB 4.32Å; Y350-P378 HydrophobicContact CE1-CG 4.14Å; T351-P378 WeakPolarHBondContact CA-O 3.31Å; T351-P378 VanDerWaalsContact CB-O 3.3Å; T351-P378 WeakPolarHBondContact CB-O 3.37Å; T351-P378 PolarHBondContact OG1-O 2.69Å; P378-Y380 HydrophobicContact CB-CE2 4.16Å
379	F	97.6	Very high	93.8	Very high	6 Å²	6	30.6 Å²	30.6	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	116	170.5	-168.2	-71.8	0	0	0	110.1	F77 F78 A81 I349 Y350 I381 V396 L401 I422	F77-F379 WeakPolarHBondContact CD2-O 3.2Å; F78-F379 HydrophobicContact CB-CB 4.34Å; F78-F379 HydrophobicContact CB-CD1 4.14Å; F78-F379 AromaticContact CD2-CD1 3.63Å; F78-F379 HydrophobicContact CD2-CD1 3.63Å; F78-F379 AromaticContact CD2-CE1 3.88Å; F78-F379 HydrophobicContact CD2-CE1 3.88Å; F78-F379 HydrophobicContact CE2-CD1 4.39Å; F78-F379 HydrophobicContact CE2-CE1 4.19Å; F78-F379 HydrophobicContact CG-CD1 4.19Å; F78-F379 PolarHBondContact N-O 3.46Å; A81-F379 HydrophobicContact CB-CB 3.27Å; A81-F379 HydrophobicContact CB-CD2 4.47Å; A81-F379 HydrophobicContact CB-CG 4.11Å; I349-F379 HydrophobicContact CG2-CE1 4.47Å; I349-F379 HydrophobicContact CG2-CE2 4.32Å; I349-F379 HydrophobicContact CG2-CZ 4.01Å; Y350-F379 WeakPolarHBondContact O-CA 3.49Å; F379-I381 HydrophobicContact CE1-CB 4.32Å; F379-I381 HydrophobicContact CE1-CG2 4.41Å; F379-V396 HydrophobicContact CD2-CG1 3.96Å; F379-V396 HydrophobicContact CE1-CG1 4.3Å; F379-V396 HydrophobicContact CE2-CG1 3.67Å; F379-V396 HydrophobicContact CG-CG1 4.38Å; F379-V396 HydrophobicContact CZ-CG1 3.87Å; F379-L401 HydrophobicContact CE2-CD2 3.68Å; F379-L401 HydrophobicContact CE2-CG 4.29Å; F379-L401 HydrophobicContact CZ-CD2 4.07Å; F379-I422 HydrophobicContact CE1-CD1 3.56Å; F379-I422 HydrophobicContact CZ-CD1 3.56Å
380	Y	96.8	Very high	93.8	Very high	6 Å²	6	31.4 Å²	31.4	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.6	175.4	-60.9	-99	0	0	0	109.8	M61 M71 E72 F77 I349 Y350 P378	M61-Y380 HydrophobicContact CE-CE2 3.71Å; M61-Y380 HydrophobicContact CG-CE2 4.46Å; M61-Y380 HydrophobicContact SD-CE2 4.25Å; M71-Y380 HydrophobicContact CB-CD1 3.93Å; M71-Y380 HydrophobicContact CB-CG 3.94Å; M71-Y380 WeakPolarHBondContact CE-O 3.36Å; E72-Y380 HydrophobicContact CG-CD1 4.12Å; E72-Y380 HydrophobicContact CG-CE1 3.54Å; E72-Y380 WeakPolarHBondContact OE1-CE1 3.3Å; E72-Y380 PolarHBondContact OE1-OH 3.06Å; E72-Y380 VanDerWaalsContact OE1-OH 3.07Å; F77-Y380 HydrophobicContact CB-CD1 3.7Å; F77-Y380 HydrophobicContact CB-CE1 3.63Å; F77-Y380 AromaticContact CD2-CD1 3.62Å; F77-Y380 HydrophobicContact CD2-CD1 3.62Å; F77-Y380 HydrophobicContact CD2-CD2 4.16Å; F77-Y380 AromaticContact CD2-CE1 3.26Å; F77-Y380 HydrophobicContact CD2-CE1 3.26Å; F77-Y380 AromaticContact CD2-CE2 3.85Å; F77-Y380 HydrophobicContact CD2-CE2 3.85Å; F77-Y380 HydrophobicContact CD2-CG 4.05Å; F77-Y380 AromaticContact CD2-CZ 3.41Å; F77-Y380 VanDerWaalsContact CD2-CZ 3.41Å; F77-Y380 HydrophobicContact CE2-CE1 4.08Å; F77-Y380 HydrophobicContact CE2-CE2 4.01Å; F77-Y380 AromaticContact CE2-CZ 3.75Å; F77-Y380 HydrophobicContact CG-CD1 4.02Å; F77-Y380 AromaticContact CG-CE1 3.6Å; F77-Y380 HydrophobicContact CG-CE1 3.6Å; I349-Y380 WeakPolarHBondContact CA-O 3.44Å; Y350-Y380 HydrophobicContact CD1-CD2 4.18Å; Y350-Y380 PolarHBondContact N-O 3.44Å; Y350-Y380 PolarHBondContact O-N 2.95Å; P378-Y380 HydrophobicContact CB-CE2 4.16Å
381	I	96.1	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139	173.5	-173.7	166.3	0	0	0	110.5	G75 T76 F78 Y347 I348 I349 F379 L426	G75-I381 WeakPolarHBondContact CA-O 3.25Å; T76-I381 PolarHBondContact N-O 3.22Å; T76-I381 PolarHBondContact O-N 3.24Å; F78-I381 HydrophobicContact CD2-CG2 4.35Å; F78-I381 HydrophobicContact CE2-CG2 3.81Å; Y347-I381 HydrophobicContact CD1-CD1 4.12Å; Y347-I381 HydrophobicContact CD1-CG1 4.31Å; I348-I381 WeakPolarHBondContact O-CA 3.14Å; I349-I381 HydrophobicContact CD1-CD1 4.16Å; I349-I381 HydrophobicContact CG1-CD1 3.82Å; I349-I381 HydrophobicContact CG1-CG1 3.93Å; F379-I381 HydrophobicContact CE1-CB 4.32Å; F379-I381 HydrophobicContact CE1-CG2 4.41Å; I381-L426 HydrophobicContact CD1-CD1 3.87Å; I381-L426 HydrophobicContact CG1-CD1 4.49Å; I381-L426 HydrophobicContact CG2-CD1 3.76Å; I381-L426 HydrophobicContact CG2-CD2 4.02Å
382	R	93.4	Very high	93.5	Very high	31 Å²	31	38.1 Å²	38.1	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.4	172.2	56.2	172.7	-68.1	151.5	10.8	110.1	I70 M71 G74 Y347 I348	I70-R382 PolarHBondContact O-NH1 2.99Å; M71-R382 HydrophobicContact CE-CG 3.87Å; M71-R382 HydrophobicContact SD-CG 3.77Å; G74-R382 WeakPolarHBondContact O-CB 3.3Å; Y347-R382 CarbonylContact C-O 3.59Å; Y347-R382 VanDerWaalsContact CA-O 3.27Å; Y347-R382 WeakPolarHBondContact CA-O 3.46Å; I348-R382 HydrophobicContact CB-CG 3.79Å; I348-R382 HydrophobicContact CD1-CG 4.4Å; I348-R382 HydrophobicContact CG1-CG 4.29Å; I348-R382 PolarHBondContact N-O 3.05Å; I348-R382 PolarHBondContact O-N 3.45Å
383	G	91.8	Very high	93.3	Very high	20 Å²	20	41.6 Å²	41.6	21%	0.206	23%	0.231	C	C	.	.	S	Bend	trans	154.9	-165.8	179.6	0	0	0	0	0	113.5	T346 N385 V386	T346-G383 WeakPolarHBondContact O-CA 3.07Å; G383-N385 PolarHBondContact O-N 3.23Å; G383-V386 PolarHBondContact O-N 2.81Å
384	P	89.8	Confident	93.2	Very high	32 Å²	32	44.5 Å²	44.5	21%	0.208	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	135.6	173.3	-22.4	26.9	0	0	0	112.8	P44 E344 Y347 V386	P44-P384 HydrophobicContact CB-CG 4.31Å; E344-P384 WeakPolarHBondContact O-CG 3.23Å; Y347-P384 HydrophobicContact CD2-CG 4.16Å; Y347-P384 HydrophobicContact CE2-CB 4.12Å; Y347-P384 HydrophobicContact CE2-CG 3.77Å; Y347-P384 PolarHBondContact OH-O 2.95Å; Y347-P384 VanDerWaalsContact OH-O 3.04Å; P384-V386 PolarHBondContact O-N 2.74Å
385	N	85.8	Confident	93	Very high	122 Å²	122	44.7 Å²	44.7	65%	0.652	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	4.6	177.3	-45.2	-52.9	0	0	0	116.7	G383	G383-N385 PolarHBondContact O-N 3.23Å
386	V	90.4	Very high	93	Very high	14 Å²	14	44.8 Å²	44.8	9%	0.085	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-80.7	134.8	175.5	-175.2	0	0	0	0	110.1	T76 Y347 G383 P384 L426	T76-V386 WeakPolarHBondContact OG1-CG1 3.2Å; Y347-V386 HydrophobicContact CD1-CG2 4.28Å; Y347-V386 HydrophobicContact CE1-CG2 3.81Å; G383-V386 PolarHBondContact O-N 2.81Å; P384-V386 PolarHBondContact O-N 2.74Å; V386-L426 HydrophobicContact CG1-CD2 4.38Å; V386-L426 HydrophobicContact CG2-CD1 4.37Å
387	E	89.6	Confident	93	Very high	114 Å²	114	41.7 Å²	41.7	53%	0.533	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-75.4	125.1	179.2	-172.6	176.1	-152	0	0	111.3	G75 T76 S390 T428	G75-E387 CarbonylContact C-O 3.48Å; G75-E387 VanDerWaalsContact O-O 3.06Å; T76-E387 PolarHBondContact OG1-O 3.14Å; E387-S390 PolarHBondContact O-OG 3.03Å; E387-T428 HydrophobicContact CB-CG2 4.15Å
388	Q	90.9	Very high	93	Very high	151 Å²	151	41.7 Å²	41.7	71%	0.706	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	138.3	-175.3	-63.2	171.6	8.8	0	0	111.6	S390	Q388-S390 PolarHBondContact O-N 2.97Å
389	G	88.8	Confident	93	Very high	59 Å²	59	41.7 Å²	41.7	61%	0.608	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	12.3	-179.4	0	0	0	0	0	114.6	E72 G75	E72-G389 VanDerWaalsContact O-CA 3.26Å; E72-G389 WeakPolarHBondContact O-CA 3.3Å; E72-G389 PolarHBondContact O-N 3.04Å; G75-G389 PolarHBondContact O-N 2.87Å
390	S	92.2	Very high	93	Very high	17 Å²	17	41.5 Å²	41.5	12%	0.119	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.5	-173.1	60.3	0	0	0	0	112.7	G75 T76 F77 E387 Q388	G75-S390 PolarHBondContact O-N 3.02Å; T76-S390 WeakPolarHBondContact CA-O 3.37Å; T76-S390 WeakPolarHBondContact CA-OG 3.25Å; T76-S390 WeakPolarHBondContact CB-OG 3.38Å; T76-S390 WeakPolarHBondContact CG2-OG 3.02Å; T76-S390 PolarHBondContact OG1-OG 3.04Å; F77-S390 PolarHBondContact N-O 2.89Å; E387-S390 PolarHBondContact O-OG 3.03Å; Q388-S390 PolarHBondContact O-N 2.97Å
391	I	93.3	Very high	93.1	Very high	121 Å²	121	41.3 Å²	41.3	62%	0.621	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.6	171.4	-57.4	178.1	0	0	0	108.2	F77	F77-I391 HydrophobicContact CD1-CG1 4.42Å; F77-I391 HydrophobicContact CD1-CG2 4.17Å; F77-I391 CarbonylContact O-C 3.56Å; F77-I391 WeakPolarHBondContact O-CA 3.47Å
392	N	92	Very high	93.2	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.5	-179.2	-166.2	-43.6	0	0	0	110.4	T76 F77 F78 S79 H394	T76-N392 HydrophobicContact CG2-CB 3.64Å; F77-N392 PolarHBondContact O-N 2.89Å; F78-N392 WeakPolarHBondContact CA-O 3.03Å; F78-N392 HydrophobicContact CD1-CB 3.66Å; F78-N392 HydrophobicContact CE1-CB 3.6Å; F78-N392 HydrophobicContact CG-CB 4.22Å; F78-N392 HydrophobicContact CZ-CB 4.09Å; S79-N392 PolarHBondContact N-O 2.89Å; N392-H394 WeakPolarHBondContact OD1-CB 3.46Å; N392-H394 PolarHBondContact OD1-CD2 3.23Å; N392-H394 PolarHBondContact OD1-N 3.05Å; N392-H394 VanDerWaalsContact OD1-N 3.08Å
393	P	92	Very high	93.4	Very high	82 Å²	82	39.9 Å²	39.9	53%	0.532	23%	0.228	S	C	.	.			trans	-85.4	-7.2	-176.4	34.4	-36.3	0	0	0	114.2	N80	N80-P393 PolarHBondContact ND2-O 3.08Å
394	H	91.7	Very high	93.6	Very high	65 Å²	65	39 Å²	39	30%	0.301	22%	0.219	S	C	.	.	S	Bend	trans	-67.2	143.6	-180	-67.8	-65.4	0	0	0	111.7	N392 V396 L425	N392-H394 WeakPolarHBondContact OD1-CB 3.46Å; N392-H394 PolarHBondContact OD1-CD2 3.23Å; N392-H394 PolarHBondContact OD1-N 3.05Å; N392-H394 VanDerWaalsContact OD1-N 3.08Å; H394-V396 PolarHBondContact O-N 3.02Å; H394-L425 HydrophobicContact CB-CD1 3.76Å; H394-L425 HydrophobicContact CB-CD2 4.18Å
395	M	92.5	Very high	94	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.02	21%	0.209	C	C	.	.			trans	-72.9	124.7	-176.1	-71.6	-162.9	-70.5	0	0	113.7	N80 F82 W444 D446 F448 I802	N80-M395 HydrophobicContact CB-CG 4.16Å; N80-M395 VanDerWaalsContact O-CA 3.3Å; N80-M395 WeakPolarHBondContact O-CA 3.47Å; F82-M395 HydrophobicContact CE2-CG 4.34Å; F82-M395 HydrophobicContact CE2-SD 4.27Å; M395-W444 PolarHBondContact O-NE1 3.01Å; M395-D446 WeakPolarHBondContact CE-O 3.39Å; M395-F448 HydrophobicContact CE-CD1 4.07Å; M395-F448 HydrophobicContact SD-CD1 3.69Å; M395-F448 HydrophobicContact SD-CE1 3.64Å; M395-I802 HydrophobicContact CE-CB 4.28Å; M395-I802 HydrophobicContact CG-CB 4.15Å; M395-I802 HydrophobicContact CG-CD1 4.17Å; M395-I802 HydrophobicContact CG-CG1 4.46Å; M395-I802 HydrophobicContact SD-CB 3.73Å; M395-I802 HydrophobicContact SD-CD1 3.79Å; M395-I802 HydrophobicContact SD-CG1 3.7Å
396	V	95.9	Very high	94.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.5	176.2	177.3	0	0	0	0	110.4	F78 N80 A81 F82 F379 H394 I422	F78-V396 HydrophobicContact CB-CG2 4.33Å; F78-V396 HydrophobicContact CD1-CB 4.45Å; F78-V396 HydrophobicContact CD1-CG2 3.31Å; F78-V396 HydrophobicContact CD2-CG2 4.39Å; F78-V396 HydrophobicContact CE1-CG2 3.52Å; F78-V396 HydrophobicContact CG-CG2 3.77Å; F78-V396 HydrophobicContact CZ-CG2 4.15Å; N80-V396 PolarHBondContact O-N 3.44Å; A81-V396 WeakPolarHBondContact CA-O 3.48Å; F82-V396 PolarHBondContact N-O 3.09Å; F379-V396 HydrophobicContact CD2-CG1 3.96Å; F379-V396 HydrophobicContact CE1-CG1 4.3Å; F379-V396 HydrophobicContact CE2-CG1 3.67Å; F379-V396 HydrophobicContact CG-CG1 4.38Å; F379-V396 HydrophobicContact CZ-CG1 3.87Å; H394-V396 PolarHBondContact O-N 3.02Å; V396-I422 HydrophobicContact CG1-CD1 4.32Å; V396-I422 HydrophobicContact CG1-CG2 4.02Å; V396-I422 HydrophobicContact CG2-CD1 4.42Å; V396-I422 HydrophobicContact CG2-CG2 3.87Å
397	L	97.6	Very high	94.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154	-178.9	-57.5	178.6	0	0	0	112.5	F82 T84 I399 D400 F448	F82-L397 HydrophobicContact CB-CD2 3.87Å; F82-L397 CarbonylContact O-C 3.47Å; F82-L397 VanDerWaalsContact O-CA 3.31Å; F82-L397 WeakPolarHBondContact O-CA 3.43Å; T84-L397 HydrophobicContact CG2-CB 4.44Å; T84-L397 HydrophobicContact CG2-CD1 4.15Å; L397-I399 HydrophobicContact CB-CG1 3.71Å; L397-I399 HydrophobicContact CD1-CD1 4.1Å; L397-I399 HydrophobicContact CD1-CG1 4.17Å; L397-I399 PolarHBondContact O-N 3.47Å; L397-D400 PolarHBondContact N-OD2 2.93Å; L397-D400 WeakPolarHBondContact O-CB 3.43Å; L397-D400 PolarHBondContact O-N 2.75Å; L397-F448 HydrophobicContact CD1-CB 3.64Å; L397-F448 HydrophobicContact CD1-CD2 3.96Å; L397-F448 HydrophobicContact CD1-CG 3.89Å; L397-F448 HydrophobicContact CD2-CB 4.36Å; L397-F448 HydrophobicContact CD2-CD1 3.96Å; L397-F448 HydrophobicContact CD2-CD2 3.46Å; L397-F448 VanDerWaalsContact CD2-CD2 3.46Å; L397-F448 HydrophobicContact CD2-CE1 4.04Å; L397-F448 HydrophobicContact CD2-CE2 3.57Å; L397-F448 HydrophobicContact CD2-CG 3.68Å; L397-F448 HydrophobicContact CD2-CZ 3.87Å; L397-F448 HydrophobicContact CG-CD2 4.38Å; L397-F448 HydrophobicContact CG-CG 4.39Å
398	N	97.8	Very high	95.1	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-50.5	-31.5	171.2	70.3	-21.4	0	0	0	114	F82 V83 T84 S91 M95 D400	F82-N398 PolarHBondContact O-N 2.93Å; V83-N398 HydrophobicContact CB-CB 4.32Å; V83-N398 HydrophobicContact CG1-CB 4.13Å; T84-N398 WeakPolarHBondContact CB-OD1 3.47Å; T84-N398 WeakPolarHBondContact CG2-OD1 3.33Å; T84-N398 PolarHBondContact N-OD1 2.8Å; T84-N398 VanDerWaalsContact N-OD1 3.11Å; T84-N398 PolarHBondContact OG1-ND2 2.94Å; T84-N398 PolarHBondContact OG1-OD1 2.9Å; S91-N398 PolarHBondContact OG-ND2 3.46Å; M95-N398 WeakPolarHBondContact CA-O 3.41Å; M95-N398 HydrophobicContact CG-CB 3.78Å; N398-D400 VanDerWaalsContact C-N 3.31Å; N398-D400 PolarHBondContact O-N 3.33Å
399	I	97.8	Very high	95.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-72.3	-15.8	175.4	57.1	170.8	0	0	0	114.5	T84 G98 K99 Y100 L397 P403 D418	T84-I399 HydrophobicContact CG2-CD1 4.15Å; T84-I399 HydrophobicContact CG2-CG1 4.16Å; T84-I399 HydrophobicContact CG2-CG2 4.11Å; G98-I399 WeakPolarHBondContact CA-O 3.34Å; K99-I399 VanDerWaalsContact O-CG2 3.29Å; K99-I399 WeakPolarHBondContact O-CG2 3.27Å; Y100-I399 HydrophobicContact CD2-CD1 3.99Å; Y100-I399 HydrophobicContact CE1-CD1 4.38Å; Y100-I399 HydrophobicContact CE2-CD1 3.39Å; L397-I399 HydrophobicContact CB-CG1 3.71Å; L397-I399 HydrophobicContact CD1-CD1 4.1Å; L397-I399 HydrophobicContact CD1-CG1 4.17Å; L397-I399 PolarHBondContact O-N 3.47Å; I399-P403 WeakPolarHBondContact O-CD 3.39Å; I399-D418 HydrophobicContact CD1-CB 4.37Å
400	D	97.9	Very high	95.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-82.4	-16.2	-180	-60.7	-37.2	0	0	0	112.7	L397 N398 P403 T404 G419 K420 I422 R445	L397-D400 PolarHBondContact N-OD2 2.93Å; L397-D400 WeakPolarHBondContact O-CB 3.43Å; L397-D400 PolarHBondContact O-N 2.75Å; N398-D400 VanDerWaalsContact C-N 3.31Å; N398-D400 PolarHBondContact O-N 3.33Å; D400-P403 VanDerWaalsContact O-CD 3.32Å; D400-P403 WeakPolarHBondContact O-CD 3.39Å; D400-P403 WeakPolarHBondContact O-CG 3.45Å; D400-T404 VanDerWaalsContact O-CB 3.23Å; D400-T404 WeakPolarHBondContact O-CB 3.45Å; D400-T404 PolarHBondContact O-N 2.9Å; D400-T404 PolarHBondContact O-OG1 2.83Å; D400-G419 VanDerWaalsContact OD1-CA 3.24Å; D400-G419 WeakPolarHBondContact OD1-CA 3.24Å; D400-K420 WeakPolarHBondContact CB-O 3.16Å; D400-K420 PolarHBondContact OD1-N 2.85Å; D400-I422 HydrophobicContact CB-CG2 4.03Å; D400-R445 IonicContact OD1-CZ 3.44Å; D400-R445 IonicContact OD1-NH1 3.24Å; D400-R445 PolarHBondContact OD1-NH1 2.77Å; D400-R445 IonicContact OD1-NH2 3.52Å; D400-R445 PolarHBondContact OD1-NH2 3.12Å; D400-R445 IonicContact OD2-CZ 3.53Å; D400-R445 IonicContact OD2-NH1 2.68Å; D400-R445 PolarHBondContact OD2-NH1 2.97Å; D400-R445 IonicContact OD2-NH2 3.47Å; D400-R445 PolarHBondContact OD2-NH2 2.94Å
401	L	98	Very high	95.5	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-48.8	179.2	-74.6	167.5	0	0	0	112.1	L48 M95 I349 T351 F379 T404 I405	L48-L401 HydrophobicContact CD1-CD2 4.32Å; M95-L401 HydrophobicContact CB-CD1 4.4Å; M95-L401 HydrophobicContact CE-CD1 3.35Å; M95-L401 HydrophobicContact CG-CD1 4.09Å; I349-L401 HydrophobicContact CG2-CD2 3.9Å; T351-L401 HydrophobicContact CG2-CD1 4.08Å; F379-L401 HydrophobicContact CE2-CD2 3.68Å; F379-L401 HydrophobicContact CE2-CG 4.29Å; F379-L401 HydrophobicContact CZ-CD2 4.07Å; L401-T404 PolarHBondContact O-N 2.92Å; L401-I405 WeakPolarHBondContact O-CB 3.24Å; L401-I405 WeakPolarHBondContact O-CD1 3.23Å; L401-I405 WeakPolarHBondContact O-CG1 3.41Å; L401-I405 PolarHBondContact O-N 3.08Å
402	A	98	Very high	95.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.5	-56.7	178.3	0	0	0	0	0	112.9	F127 T404 I405 L406 M417	F127-A402 HydrophobicContact CB-CB 4.3Å; F127-A402 HydrophobicContact CD1-CB 4.13Å; A402-T404 VanDerWaalsContact C-N 3.32Å; A402-T404 PolarHBondContact O-N 2.98Å; A402-I405 PolarHBondContact O-N 2.85Å; A402-L406 WeakPolarHBondContact O-CG 3.29Å; A402-L406 PolarHBondContact O-N 3.2Å; A402-L406 VanDerWaalsContact O-N 3.09Å; A402-M417 HydrophobicContact CB-CE 4.03Å; A402-M417 HydrophobicContact CB-SD 4.03Å
403	P	97.4	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-32.8	178.8	25	-33.7	0	0	0	113.1	I399 D400 L406 D407 T413 M417	I399-P403 WeakPolarHBondContact O-CD 3.39Å; D400-P403 VanDerWaalsContact O-CD 3.32Å; D400-P403 WeakPolarHBondContact O-CD 3.39Å; D400-P403 WeakPolarHBondContact O-CG 3.45Å; P403-L406 PolarHBondContact O-N 2.83Å; P403-D407 WeakPolarHBondContact O-CB 3.43Å; P403-D407 PolarHBondContact O-N 2.66Å; P403-T413 HydrophobicContact CB-CG2 3.67Å; P403-T413 WeakPolarHBondContact CB-OG1 3.37Å; P403-M417 HydrophobicContact CB-SD 4.27Å
404	T	97.1	Very high	95.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-42.6	174	-54.8	0	0	0	0	111.7	D400 L401 A402 L406 D407 I408 S421 I422 L423	D400-T404 VanDerWaalsContact O-CB 3.23Å; D400-T404 WeakPolarHBondContact O-CB 3.45Å; D400-T404 PolarHBondContact O-N 2.9Å; D400-T404 PolarHBondContact O-OG1 2.83Å; L401-T404 PolarHBondContact O-N 2.92Å; A402-T404 VanDerWaalsContact C-N 3.32Å; A402-T404 PolarHBondContact O-N 2.98Å; T404-L406 VanDerWaalsContact C-N 3.29Å; T404-L406 PolarHBondContact O-N 3.2Å; T404-D407 PolarHBondContact O-N 3.26Å; T404-I408 HydrophobicContact CG2-CD1 3.96Å; T404-I408 HydrophobicContact CG2-CG1 4.4Å; T404-I408 VanDerWaalsContact O-CG1 3.26Å; T404-I408 WeakPolarHBondContact O-CG1 3.5Å; T404-I408 PolarHBondContact O-N 3.39Å; T404-S421 WeakPolarHBondContact OG1-CA 3.29Å; T404-I422 HydrophobicContact CG2-CG1 3.67Å; T404-I422 PolarHBondContact OG1-N 2.04Å; T404-L423 HydrophobicContact CG2-CD2 4.17Å; T404-L423 HydrophobicContact CG2-CG 4.27Å
405	I	97.9	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-32.2	177.7	-70.5	167.1	0	0	0	111.5	I46 L48 F127 L131 L217 I349 L401 A402 A409	I46-I405 HydrophobicContact CD1-CG2 3.96Å; I46-I405 HydrophobicContact CG2-CG1 4.34Å; L48-I405 HydrophobicContact CD2-CD1 4.38Å; F127-I405 HydrophobicContact CB-CG2 4.25Å; F127-I405 HydrophobicContact CD1-CD1 4.38Å; F127-I405 HydrophobicContact CD2-CD1 4.02Å; F127-I405 HydrophobicContact CD2-CG2 3.83Å; F127-I405 HydrophobicContact CE1-CD1 4.26Å; F127-I405 HydrophobicContact CE2-CD1 3.9Å; F127-I405 HydrophobicContact CG-CD1 4.28Å; F127-I405 HydrophobicContact CG-CG2 4.26Å; F127-I405 HydrophobicContact CZ-CD1 4.03Å; L131-I405 HydrophobicContact CD1-CG2 4.04Å; L131-I405 HydrophobicContact CD2-CG2 3.72Å; L217-I405 HydrophobicContact CD1-CG2 4.21Å; I349-I405 HydrophobicContact CD1-CG1 4.39Å; L401-I405 WeakPolarHBondContact O-CB 3.24Å; L401-I405 WeakPolarHBondContact O-CD1 3.23Å; L401-I405 WeakPolarHBondContact O-CG1 3.41Å; L401-I405 PolarHBondContact O-N 3.08Å; A402-I405 PolarHBondContact O-N 2.85Å; I405-A409 PolarHBondContact O-N 2.82Å
406	L	97.3	Very high	95.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-67.3	-46.4	171	-64.4	-177.5	0	0	0	112	Y130 L131 A402 P403 T404 A409 G410 L411 P414 M417	Y130-L406 VanDerWaalsContact CB-CD2 3.43Å; Y130-L406 HydrophobicContact CD2-CD1 4.37Å; Y130-L406 HydrophobicContact CD2-CD2 3.98Å; Y130-L406 HydrophobicContact CG-CD2 3.94Å; L131-L406 HydrophobicContact CD1-CD2 3.68Å; A402-L406 WeakPolarHBondContact O-CG 3.29Å; A402-L406 PolarHBondContact O-N 3.2Å; A402-L406 VanDerWaalsContact O-N 3.09Å; P403-L406 PolarHBondContact O-N 2.83Å; T404-L406 VanDerWaalsContact C-N 3.29Å; T404-L406 PolarHBondContact O-N 3.2Å; L406-A409 CarbonylContact O-C 3.51Å; L406-A409 WeakPolarHBondContact O-CA 3.29Å; L406-A409 WeakPolarHBondContact O-CB 3.28Å; L406-A409 PolarHBondContact O-N 2.84Å; L406-G410 PolarHBondContact O-N 2.73Å; L406-L411 CarbonylContact C-O 3.52Å; L406-L411 HydrophobicContact CB-CB 4.19Å; L406-L411 HydrophobicContact CD2-CD1 4.04Å; L406-L411 WeakPolarHBondContact O-CB 3.24Å; L406-L411 PolarHBondContact O-N 3.01Å; L406-P414 HydrophobicContact CD1-CG 4.19Å; L406-M417 HydrophobicContact CD1-CE 3.81Å; L406-M417 HydrophobicContact CD1-SD 3.99Å
407	D	95.1	Very high	95.8	Very high	67 Å²	67	26.8 Å²	26.8	36%	0.358	17%	0.166	S	C	.	.	H	α-helix	trans	-64.3	-42	-179.1	-162.6	17.5	0	0	0	111.6	P403 T404 A409 G410 S421 L423	P403-D407 WeakPolarHBondContact O-CB 3.43Å; P403-D407 PolarHBondContact O-N 2.66Å; T404-D407 PolarHBondContact O-N 3.26Å; D407-A409 PolarHBondContact O-N 2.78Å; D407-G410 WeakPolarHBondContact O-CA 3.26Å; D407-G410 PolarHBondContact O-N 3.16Å; D407-S421 WeakPolarHBondContact CB-OG 3.48Å; D407-S421 WeakPolarHBondContact OD2-CB 3.47Å; D407-S421 PolarHBondContact OD2-OG 3.34Å; D407-L423 HydrophobicContact CB-CD1 4.04Å; D407-L423 HydrophobicContact CB-CG 4.46Å
408	I	95	Very high	95.8	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-34.8	171.3	-68.1	167.2	0	0	0	111.9	P44 I46 Y347 I349 T404 G410 L423	P44-I408 HydrophobicContact CG-CG2 3.61Å; I46-I408 HydrophobicContact CD1-CB 3.88Å; I46-I408 HydrophobicContact CD1-CG2 3.49Å; I46-I408 VanDerWaalsContact CD1-CG2 3.49Å; I46-I408 HydrophobicContact CG1-CG2 3.66Å; Y347-I408 HydrophobicContact CD1-CD1 4.12Å; Y347-I408 HydrophobicContact CD2-CB 4.48Å; Y347-I408 HydrophobicContact CD2-CD1 4.27Å; Y347-I408 HydrophobicContact CD2-CG1 4.26Å; Y347-I408 HydrophobicContact CD2-CG2 3.37Å; Y347-I408 HydrophobicContact CE1-CD1 4.47Å; Y347-I408 HydrophobicContact CE2-CB 4.49Å; Y347-I408 HydrophobicContact CE2-CG1 4.2Å; Y347-I408 HydrophobicContact CE2-CG2 3.6Å; Y347-I408 HydrophobicContact CG-CD1 3.98Å; Y347-I408 HydrophobicContact CG-CG1 4.43Å; Y347-I408 HydrophobicContact CG-CG2 4.11Å; I349-I408 HydrophobicContact CD1-CD1 4.41Å; T404-I408 HydrophobicContact CG2-CD1 3.96Å; T404-I408 HydrophobicContact CG2-CG1 4.4Å; T404-I408 VanDerWaalsContact O-CG1 3.26Å; T404-I408 WeakPolarHBondContact O-CG1 3.5Å; T404-I408 PolarHBondContact O-N 3.39Å; I408-G410 VanDerWaalsContact C-N 3.26Å; I408-G410 PolarHBondContact O-N 3.19Å; I408-L423 HydrophobicContact CD1-CD2 4.26Å; I408-L423 HydrophobicContact CG1-CD1 3.8Å; I408-L423 HydrophobicContact CG1-CD2 3.76Å; I408-L423 HydrophobicContact CG1-CG 4.11Å
409	A	94.4	Very high	95.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.1	175.7	0	0	0	0	0	113.8	R43 L131 Y136 I405 L406 D407 L411	R43-A409 WeakPolarHBondContact CD-O 3.46Å; R43-A409 PolarHBondContact NE-O 2.9Å; L131-A409 HydrophobicContact CD1-CB 3.98Å; L131-A409 HydrophobicContact CD2-CB 4.1Å; L131-A409 HydrophobicContact CG-CB 3.89Å; Y136-A409 HydrophobicContact CE2-CB 3.59Å; I405-A409 PolarHBondContact O-N 2.82Å; L406-A409 CarbonylContact O-C 3.51Å; L406-A409 WeakPolarHBondContact O-CA 3.29Å; L406-A409 WeakPolarHBondContact O-CB 3.28Å; L406-A409 PolarHBondContact O-N 2.84Å; D407-A409 PolarHBondContact O-N 2.78Å; A409-L411 HydrophobicContact CB-CD1 3.87Å; A409-L411 HydrophobicContact CB-CG 3.89Å
410	G	92.9	Very high	95.4	Very high	59 Å²	59	29.3 Å²	29.3	61%	0.608	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	45.9	-175	0	0	0	0	0	112.5	L406 D407 I408	L406-G410 PolarHBondContact O-N 2.73Å; D407-G410 WeakPolarHBondContact O-CA 3.26Å; D407-G410 PolarHBondContact O-N 3.16Å; I408-G410 VanDerWaalsContact C-N 3.26Å; I408-G410 PolarHBondContact O-N 3.19Å
411	L	93.9	Very high	95.2	Very high	31 Å²	31	29.8 Å²	29.8	16%	0.162	18%	0.18	C	C	.	.			trans	-124.8	136	-178.2	-51.1	177	0	0	0	111	L131 T134 L406 A409 T413	L131-L411 HydrophobicContact CD1-CD1 3.91Å; T134-L411 HydrophobicContact CG2-CD1 4Å; T134-L411 HydrophobicContact CG2-CD2 3.59Å; T134-L411 HydrophobicContact CG2-CG 4.48Å; L406-L411 CarbonylContact C-O 3.52Å; L406-L411 HydrophobicContact CB-CB 4.19Å; L406-L411 HydrophobicContact CD2-CD1 4.04Å; L406-L411 WeakPolarHBondContact O-CB 3.24Å; L406-L411 PolarHBondContact O-N 3.01Å; A409-L411 HydrophobicContact CB-CD1 3.87Å; A409-L411 HydrophobicContact CB-CG 3.89Å; L411-T413 PolarHBondContact O-N 2.97Å
412	D	93	Very high	95.1	Very high	157 Å²	157	29.7 Å²	29.7	84%	0.84	18%	0.179	S	C	*	.	P	Polyproline II helix	trans	-59	134.4	173.7	-67	-59.4	0	0	0	111.7	P414	D412-P414 WeakPolarHBondContact O-CD 3.36Å
413	T	94	Very high	94.7	Very high	44 Å²	44	30.9 Å²	30.9	27%	0.27	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-69	123.7	172.7	-71.8	0	0	0	0	110.4	P403 L411 M417	P403-T413 HydrophobicContact CB-CG2 3.67Å; P403-T413 WeakPolarHBondContact CB-OG1 3.37Å; L411-T413 PolarHBondContact O-N 2.97Å; T413-M417 HydrophobicContact CG2-CB 4.1Å; T413-M417 HydrophobicContact CG2-SD 4.32Å
414	P	95.3	Very high	94.2	Very high	20 Å²	20	33.3 Å²	33.3	13%	0.13	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-57.4	135.7	175.2	-26.6	34.5	0	0	0	111.9	Y130 L406 D412 D416 M417	Y130-P414 HydrophobicContact CE1-CG 4.2Å; Y130-P414 HydrophobicContact CE2-CG 4.08Å; L406-P414 HydrophobicContact CD1-CG 4.19Å; D412-P414 WeakPolarHBondContact O-CD 3.36Å; P414-D416 WeakPolarHBondContact CB-OD1 3.46Å; P414-D416 PolarHBondContact O-N 2.98Å; P414-M417 HydrophobicContact CB-CG 4.39Å; P414-M417 HydrophobicContact CG-CE 4.24Å; P414-M417 WeakPolarHBondContact O-CB 3.16Å; P414-M417 PolarHBondContact O-N 3.14Å
415	P	92.3	Very high	93.7	Very high	106 Å²	106	33.7 Å²	33.7	69%	0.688	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.9	-174.7	28.8	-36.6	0	0	0	113.8	G857	P415-G857 WeakPolarHBondContact O-CA 3.41Å
416	D	92.5	Very high	93.2	Very high	49 Å²	49	34.2 Å²	34.2	26%	0.262	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.1	172.4	76.5	-42.4	0	0	0	113.8	K99 R125 P414	K99-D416 VanDerWaalsContact NZ-CG 3.26Å; K99-D416 PolarHBondContact NZ-O 3Å; K99-D416 IonicContact NZ-OD2 3.32Å; K99-D416 PolarHBondContact NZ-OD2 3.16Å; R125-D416 IonicContact NH1-OD2 3.03Å; R125-D416 PolarHBondContact NH1-OD2 3.47Å; P414-D416 WeakPolarHBondContact CB-OD1 3.46Å; P414-D416 PolarHBondContact O-N 2.98Å
417	M	96.6	Very high	92	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	23%	0.229	C	C	.	.			trans	-78.2	139.1	164.2	-66.5	-167.6	174	0	0	110.4	G98 Y130 A402 P403 L406 T413 P414 G857 H858	G98-M417 CarbonylContact O-C 3.59Å; Y130-M417 HydrophobicContact CD2-CE 4.31Å; Y130-M417 HydrophobicContact CE2-CE 3.81Å; A402-M417 HydrophobicContact CB-CE 4.03Å; A402-M417 HydrophobicContact CB-SD 4.03Å; P403-M417 HydrophobicContact CB-SD 4.27Å; L406-M417 HydrophobicContact CD1-CE 3.81Å; L406-M417 HydrophobicContact CD1-SD 3.99Å; T413-M417 HydrophobicContact CG2-CB 4.1Å; T413-M417 HydrophobicContact CG2-SD 4.32Å; P414-M417 HydrophobicContact CB-CG 4.39Å; P414-M417 HydrophobicContact CG-CE 4.24Å; P414-M417 WeakPolarHBondContact O-CB 3.16Å; P414-M417 PolarHBondContact O-N 3.14Å; M417-G857 CarbonylContact O-C 3.56Å; M417-G857 VanDerWaalsContact O-CA 3.31Å; M417-G857 WeakPolarHBondContact O-CA 3.41Å; M417-H858 PolarHBondContact O-N 2.83Å
418	D	96.6	Very high	90.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.011	23%	0.233	C	C	.	.			trans	-91	-26.4	-177.5	-58.3	-34.5	0	0	0	112.5	G98 K99 Y100 N103 I399 G857 H858 C861 N862	G98-D418 PolarHBondContact O-N 2.75Å; K99-D418 VanDerWaalsContact CA-OD2 3.25Å; K99-D418 WeakPolarHBondContact CA-OD2 3.43Å; Y100-D418 HydrophobicContact CD2-CB 3.65Å; Y100-D418 HydrophobicContact CE2-CB 4.12Å; Y100-D418 PolarHBondContact N-OD2 2.74Å; N103-D418 PolarHBondContact ND2-OD1 3.41Å; N103-D418 PolarHBondContact ND2-OD2 3.34Å; I399-D418 HydrophobicContact CD1-CB 4.37Å; D418-G857 WeakPolarHBondContact OD1-CA 3.49Å; D418-G857 PolarHBondContact OD1-N 3.19Å; D418-H858 WeakPolarHBondContact O-CA 3.3Å; D418-C861 HydrophobicContact CB-CB 4.01Å; D418-N862 PolarHBondContact O-ND2 2.78Å
419	G	94.8	Very high	88.4	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-74.6	176.4	174.4	0	0	0	0	0	114.1	G98 D400 H858	G98-G419 PolarHBondContact O-N 3.29Å; D400-G419 VanDerWaalsContact OD1-CA 3.24Å; D400-G419 WeakPolarHBondContact OD1-CA 3.24Å; G419-H858 VanDerWaalsContact O-CB 3.24Å; G419-H858 WeakPolarHBondContact O-CB 3.35Å
420	K	93.2	Very high	85.9	Confident	59 Å²	59	52.5 Å²	52.5	26%	0.257	30%	0.299	S	S	.	.			trans	-137.5	139	-180	-177.7	-174.1	170.2	-156.6	0	109.6	D400 I422 V443 W444	D400-K420 WeakPolarHBondContact CB-O 3.16Å; D400-K420 PolarHBondContact OD1-N 2.85Å; K420-I422 PolarHBondContact O-N 2.96Å; K420-V443 PolarHBondContact NZ-O 2.64Å; K420-W444 HydrophobicContact CB-CH2 3.96Å; K420-W444 HydrophobicContact CB-CZ2 4.48Å; K420-W444 HydrophobicContact CD-CE3 3.99Å; K420-W444 HydrophobicContact CD-CH2 3.68Å; K420-W444 HydrophobicContact CD-CZ2 4.43Å; K420-W444 HydrophobicContact CD-CZ3 3.45Å; K420-W444 VanDerWaalsContact CD-CZ3 3.45Å; K420-W444 HydrophobicContact CG-CH2 3.77Å; K420-W444 HydrophobicContact CG-CZ3 3.92Å
421	S	94.7	Very high	83.4	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.084	31%	0.31	C	S	.	.			trans	-60.6	131.1	178.3	174.2	0	0	0	0	112.5	T404 D407 L423 S424 W444	T404-S421 WeakPolarHBondContact OG1-CA 3.29Å; D407-S421 WeakPolarHBondContact CB-OG 3.48Å; D407-S421 WeakPolarHBondContact OD2-CB 3.47Å; D407-S421 PolarHBondContact OD2-OG 3.34Å; S421-L423 VanDerWaalsContact C-N 3.35Å; S421-L423 PolarHBondContact OG-N 2.9Å; S421-S424 PolarHBondContact O-OG 3.02Å; S421-W444 WeakPolarHBondContact O-CH2 3.48Å
422	I	94.3	Very high	80.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-83.9	-3.7	177.3	70.2	170	0	0	0	113.5	F78 F379 V396 D400 T404 K420 S424 L425 L426 W444	F78-I422 HydrophobicContact CE2-CD1 3.89Å; F78-I422 HydrophobicContact CZ-CD1 4.02Å; F379-I422 HydrophobicContact CE1-CD1 3.56Å; F379-I422 HydrophobicContact CZ-CD1 3.56Å; V396-I422 HydrophobicContact CG1-CD1 4.32Å; V396-I422 HydrophobicContact CG1-CG2 4.02Å; V396-I422 HydrophobicContact CG2-CD1 4.42Å; V396-I422 HydrophobicContact CG2-CG2 3.87Å; D400-I422 HydrophobicContact CB-CG2 4.03Å; T404-I422 HydrophobicContact CG2-CG1 3.67Å; T404-I422 PolarHBondContact OG1-N 2.04Å; K420-I422 PolarHBondContact O-N 2.96Å; I422-S424 PolarHBondContact O-N 3.49Å; I422-L425 HydrophobicContact CB-CD1 4.2Å; I422-L425 HydrophobicContact CG2-CD1 4.33Å; I422-L425 WeakPolarHBondContact O-CA 3.31Å; I422-L425 VanDerWaalsContact O-CB 3.27Å; I422-L425 WeakPolarHBondContact O-CB 3.5Å; I422-L425 PolarHBondContact O-N 2.79Å; I422-L426 PolarHBondContact O-N 2.87Å; I422-W444 HydrophobicContact CG2-CH2 4.07Å; I422-W444 HydrophobicContact CG2-CZ2 4.07Å
423	L	90.4	Very high	78.5	Confident	26 Å²	26	57 Å²	57	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-57.3	-38.9	178.6	-68.5	-166.2	0	0	0	111.9	Y347 T404 D407 I408 S421 L425 L426 D427	Y347-L423 HydrophobicContact CE1-CD2 4.33Å; T404-L423 HydrophobicContact CG2-CD2 4.17Å; T404-L423 HydrophobicContact CG2-CG 4.27Å; D407-L423 HydrophobicContact CB-CD1 4.04Å; D407-L423 HydrophobicContact CB-CG 4.46Å; I408-L423 HydrophobicContact CD1-CD2 4.26Å; I408-L423 HydrophobicContact CG1-CD1 3.8Å; I408-L423 HydrophobicContact CG1-CD2 3.76Å; I408-L423 HydrophobicContact CG1-CG 4.11Å; S421-L423 VanDerWaalsContact C-N 3.35Å; S421-L423 PolarHBondContact OG-N 2.9Å; L423-L425 PolarHBondContact O-N 3.27Å; L423-L425 VanDerWaalsContact O-N 3.1Å; L423-L426 HydrophobicContact CD2-CD1 4.24Å; L423-L426 CarbonylContact O-C 3.51Å; L423-L426 WeakPolarHBondContact O-CA 3.27Å; L423-L426 PolarHBondContact O-N 2.7Å; L423-D427 PolarHBondContact O-N 2.96Å
424	S	85.9	Confident	76.5	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	36%	0.355	S	S	.	.	H	α-helix	trans	-57.6	-23.5	173.8	60.6	0	0	0	0	114.5	S421 I422 K442	S421-S424 PolarHBondContact O-OG 3.02Å; I422-S424 PolarHBondContact O-N 3.49Å; S424-K442 WeakPolarHBondContact O-CD 3.12Å; S424-K442 WeakPolarHBondContact O-CE 3.49Å; S424-K442 PolarHBondContact O-NZ 2.65Å
425	L	88.1	Confident	74.6	Confident	9 Å²	9	74 Å²	74	5%	0.047	39%	0.389	C	S	.	.	H	α-helix	trans	-78.8	-36.4	172.8	-58.9	179.4	0	0	0	111.9	F78 H394 I422 L423 K442 W444	F78-L425 HydrophobicContact CE1-CB 4.43Å; F78-L425 HydrophobicContact CE1-CD1 3.96Å; F78-L425 HydrophobicContact CZ-CB 4.43Å; H394-L425 HydrophobicContact CB-CD1 3.76Å; H394-L425 HydrophobicContact CB-CD2 4.18Å; I422-L425 HydrophobicContact CB-CD1 4.2Å; I422-L425 HydrophobicContact CG2-CD1 4.33Å; I422-L425 WeakPolarHBondContact O-CA 3.31Å; I422-L425 VanDerWaalsContact O-CB 3.27Å; I422-L425 WeakPolarHBondContact O-CB 3.5Å; I422-L425 PolarHBondContact O-N 2.79Å; L423-L425 PolarHBondContact O-N 3.27Å; L423-L425 VanDerWaalsContact O-N 3.1Å; L425-K442 PolarHBondContact O-NZ 2.86Å; L425-W444 HydrophobicContact CD1-CD2 3.84Å; L425-W444 HydrophobicContact CD1-CE3 3.97Å; L425-W444 HydrophobicContact CD1-CG 4.47Å; L425-W444 HydrophobicContact CD1-CH2 4.07Å; L425-W444 HydrophobicContact CD1-CZ2 3.91Å; L425-W444 HydrophobicContact CD1-CZ3 4.07Å; L425-W444 HydrophobicContact CD2-CB 4.44Å; L425-W444 HydrophobicContact CD2-CD2 3.73Å; L425-W444 HydrophobicContact CD2-CE3 3.42Å; L425-W444 VanDerWaalsContact CD2-CE3 3.42Å; L425-W444 HydrophobicContact CD2-CG 4.11Å; L425-W444 HydrophobicContact CD2-CZ3 4.02Å; L425-W444 HydrophobicContact CG-CD2 4.09Å; L425-W444 HydrophobicContact CG-CE3 3.73Å; L425-W444 HydrophobicContact CG-CH2 4.28Å; L425-W444 HydrophobicContact CG-CZ3 3.82Å
426	L	86.4	Confident	72.3	Confident	12 Å²	12	76.1 Å²	76.1	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-81.4	-25	-177.8	-62.3	172.7	0	0	0	113.9	T76 F78 I381 V386 I422 L423 T428	T76-L426 HydrophobicContact CG2-CD2 3.92Å; F78-L426 HydrophobicContact CE2-CD2 3.75Å; F78-L426 HydrophobicContact CE2-CG 4.43Å; F78-L426 HydrophobicContact CZ-CD2 3.7Å; F78-L426 HydrophobicContact CZ-CG 4.18Å; I381-L426 HydrophobicContact CD1-CD1 3.87Å; I381-L426 HydrophobicContact CG1-CD1 4.49Å; I381-L426 HydrophobicContact CG2-CD1 3.76Å; I381-L426 HydrophobicContact CG2-CD2 4.02Å; V386-L426 HydrophobicContact CG1-CD2 4.38Å; V386-L426 HydrophobicContact CG2-CD1 4.37Å; I422-L426 PolarHBondContact O-N 2.87Å; L423-L426 HydrophobicContact CD2-CD1 4.24Å; L423-L426 CarbonylContact O-C 3.51Å; L423-L426 WeakPolarHBondContact O-CA 3.27Å; L423-L426 PolarHBondContact O-N 2.7Å; L426-T428 PolarHBondContact O-N 3.08Å
427	D	72.1	Confident	70.1	Confident	89 Å²	89	79.4 Å²	79.4	48%	0.476	41%	0.411	S	S	.	.	S	Bend	trans	-51.4	113.1	174.5	-93.3	-43.2	0	0	0	110.4	L423 D429 K442	L423-D427 PolarHBondContact O-N 2.96Å; D427-D429 PolarHBondContact O-N 3.03Å; D427-K442 PolarHBondContact O-NZ 3.48Å
428	T	60.9	Low	67.3	Low	72 Å²	72	83.5 Å²	83.5	44%	0.442	44%	0.44	S	S	.	.			trans	-68.4	125.3	174	38.5	0	0	0	0	109.5	E387 L426 K430	E387-T428 HydrophobicContact CB-CG2 4.15Å; L426-T428 PolarHBondContact O-N 3.08Å; T428-K430 PolarHBondContact O-N 3.23Å
429	D	53.3	Low	65.2	Low	123 Å²	123	93.8 Å²	93.8	66%	0.658	48%	0.478	S	S	*	.			trans	-62.3	100.5	176.3	-78.3	-25.8	0	0	0	108.9	D427	D427-D429 PolarHBondContact O-N 3.03Å
430	K	43.1	Very low	63	Low	181 Å²	181	102 Å²	102	79%	0.787	51%	0.514	S	S	*	.			trans	-55.8	131.2	174.6	-72.7	169.2	-175.8	133.4	0	108.1	T428 A432	T428-K430 PolarHBondContact O-N 3.23Å; K430-A432 VanDerWaalsContact C-N 3.25Å; K430-A432 PolarHBondContact O-N 3.11Å
431	P	40.9	Very low	61.3	Low	129 Å²	129	103.8 Å²	103.8	84%	0.838	53%	0.532	S	S	*	.			trans	-68.4	86.3	179.7	27.5	-34.5	0	0	0	110.1	N433	P431-N433 PolarHBondContact O-N 2.76Å
432	A	41	Very low	60.1	Low	74 Å²	74	106.1 Å²	106.1	61%	0.612	54%	0.54	S	S	*	.			trans	-58.4	129.9	162.1	0	0	0	0	0	107.7	K430	K430-A432 VanDerWaalsContact C-N 3.25Å; K430-A432 PolarHBondContact O-N 3.11Å
433	N	42.6	Very low	59.1	Low	137 Å²	137	109.7 Å²	109.7	73%	0.733	56%	0.562	S	S	*	*			trans	0.9	124.1	178.9	-61.4	-16.8	0	0	0	117	P431 F435 Q436	P431-N433 PolarHBondContact O-N 2.76Å; N433-F435 PolarHBondContact O-N 2.78Å; N433-Q436 PolarHBondContact O-N 2.93Å
434	R	52	Low	58.9	Low	230 Å²	230	109.1 Å²	109.1	87%	0.868	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-39.4	-9.2	-177.3	-166.9	173.5	-179.6	178.7	-0	118.6
435	F	55.1	Low	59.1	Low	191 Å²	191	107 Å²	107	84%	0.838	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	2.1	-178.9	-58.8	-76.9	0	0	0	114.7	N433	N433-F435 PolarHBondContact O-N 2.78Å
436	Q	44.8	Very low	59.2	Low	151 Å²	151	108.3 Å²	108.3	71%	0.706	55%	0.549	S	S	*	.			trans	-131.4	68.4	175.1	-73.3	-169.2	-17.2	0	0	113	N433 S438	N433-Q436 PolarHBondContact O-N 2.93Å; Q436-S438 PolarHBondContact O-N 3.04Å
437	V	44.6	Very low	59.5	Low	119 Å²	119	108.4 Å²	108.4	72%	0.721	55%	0.551	S	S	*	*			trans	-78.8	52	169.9	-168.2	0	0	0	0	110.6	R439	V437-R439 VanDerWaalsContact C-N 3.3Å; V437-R439 HydrophobicContact CG1-CG 4.36Å; V437-R439 PolarHBondContact O-N 3.11Å
438	S	39.4	Very low	60.6	Low	86 Å²	86	104.2 Å²	104.2	60%	0.601	53%	0.528	S	S	*	.			trans	-79.6	80.7	171.1	67.1	0	0	0	0	109.5	Q436 K440	Q436-S438 PolarHBondContact O-N 3.04Å; S438-K440 VanDerWaalsContact C-N 3.32Å; S438-K440 PolarHBondContact O-N 3.01Å
439	R	52.2	Low	62.3	Low	218 Å²	218	100.8 Å²	100.8	82%	0.823	51%	0.507	S	S	*	.			trans	-61.1	92.3	169.5	-71.5	-178.8	177.6	172.6	-1.6	109.1	V437 P441	V437-R439 VanDerWaalsContact C-N 3.3Å; V437-R439 HydrophobicContact CG1-CG 4.36Å; V437-R439 PolarHBondContact O-N 3.11Å; R439-P441 WeakPolarHBondContact O-CD 3.33Å
440	K	47.9	Very low	64.4	Low	174 Å²	174	94.9 Å²	94.9	76%	0.757	48%	0.476	S	S	*	.			trans	-74.5	117.7	169.6	-71.4	-172.6	177.3	-177.8	0	107.3	S438 K442	S438-K440 VanDerWaalsContact C-N 3.32Å; S438-K440 PolarHBondContact O-N 3.01Å; K440-K442 PolarHBondContact O-N 2.65Å
441	P	58.4	Low	66.9	Low	96 Å²	96	86.3 Å²	86.3	62%	0.623	44%	0.439	S	S	*	.			trans	-59.5	132.9	-178	23.5	-32.9	0	0	0	110.1	R439 V443	R439-P441 WeakPolarHBondContact O-CD 3.33Å; P441-V443 PolarHBondContact O-N 2.68Å
442	K	68.4	Low	69.2	Low	61 Å²	61	81.1 Å²	81.1	27%	0.265	40%	0.402	S	S	.	.			trans	-66.8	101.5	-179.5	-66.9	-173.3	176.2	-164.2	0	109.2	S424 L425 D427 K440 W444	S424-K442 WeakPolarHBondContact O-CD 3.12Å; S424-K442 WeakPolarHBondContact O-CE 3.49Å; S424-K442 PolarHBondContact O-NZ 2.65Å; L425-K442 PolarHBondContact O-NZ 2.86Å; D427-K442 PolarHBondContact O-NZ 3.48Å; K440-K442 PolarHBondContact O-N 2.65Å; K442-W444 PolarHBondContact O-N 3Å
443	V	72.9	Confident	71	Confident	74 Å²	74	78.1 Å²	78.1	45%	0.448	38%	0.379	S	S	.	.			trans	-62.6	104.7	-175.4	-177.4	0	0	0	0	110.4	K420 P441 R864	K420-V443 PolarHBondContact NZ-O 2.64Å; P441-V443 PolarHBondContact O-N 2.68Å; V443-R864 HydrophobicContact CG1-CG 4.15Å
444	W	87.4	Confident	72.2	Confident	14 Å²	14	75.9 Å²	75.9	5%	0.053	36%	0.362	C	S	.	.			trans	-115.7	-164.1	-178.7	-158.3	-110	0	0	0	111.3	M395 K420 S421 I422 L425 K442	M395-W444 PolarHBondContact O-NE1 3.01Å; K420-W444 HydrophobicContact CB-CH2 3.96Å; K420-W444 HydrophobicContact CB-CZ2 4.48Å; K420-W444 HydrophobicContact CD-CE3 3.99Å; K420-W444 HydrophobicContact CD-CH2 3.68Å; K420-W444 HydrophobicContact CD-CZ2 4.43Å; K420-W444 HydrophobicContact CD-CZ3 3.45Å; K420-W444 VanDerWaalsContact CD-CZ3 3.45Å; K420-W444 HydrophobicContact CG-CH2 3.77Å; K420-W444 HydrophobicContact CG-CZ3 3.92Å; S421-W444 WeakPolarHBondContact O-CH2 3.48Å; I422-W444 HydrophobicContact CG2-CH2 4.07Å; I422-W444 HydrophobicContact CG2-CZ2 4.07Å; L425-W444 HydrophobicContact CD1-CD2 3.84Å; L425-W444 HydrophobicContact CD1-CE3 3.97Å; L425-W444 HydrophobicContact CD1-CG 4.47Å; L425-W444 HydrophobicContact CD1-CH2 4.07Å; L425-W444 HydrophobicContact CD1-CZ2 3.91Å; L425-W444 HydrophobicContact CD1-CZ3 4.07Å; L425-W444 HydrophobicContact CD2-CB 4.44Å; L425-W444 HydrophobicContact CD2-CD2 3.73Å; L425-W444 HydrophobicContact CD2-CE3 3.42Å; L425-W444 VanDerWaalsContact CD2-CE3 3.42Å; L425-W444 HydrophobicContact CD2-CG 4.11Å; L425-W444 HydrophobicContact CD2-CZ3 4.02Å; L425-W444 HydrophobicContact CG-CD2 4.09Å; L425-W444 HydrophobicContact CG-CE3 3.73Å; L425-W444 HydrophobicContact CG-CH2 4.28Å; L425-W444 HydrophobicContact CG-CZ3 3.82Å; K442-W444 PolarHBondContact O-N 3Å
445	R	89.6	Confident	72.2	Confident	6 Å²	6	67.4 Å²	67.4	2%	0.023	33%	0.334	C	S	.	.			trans	-102.5	139.2	171.4	80.5	179.8	75	103.6	-5.4	110.6	D400 N862	D400-R445 IonicContact OD1-CZ 3.44Å; D400-R445 IonicContact OD1-NH1 3.24Å; D400-R445 PolarHBondContact OD1-NH1 2.77Å; D400-R445 IonicContact OD1-NH2 3.52Å; D400-R445 PolarHBondContact OD1-NH2 3.12Å; D400-R445 IonicContact OD2-CZ 3.53Å; D400-R445 IonicContact OD2-NH1 2.68Å; D400-R445 PolarHBondContact OD2-NH1 2.97Å; D400-R445 IonicContact OD2-NH2 3.47Å; D400-R445 PolarHBondContact OD2-NH2 2.94Å; R445-N862 PolarHBondContact NE-OD1 3.36Å; R445-N862 PolarHBondContact NH2-OD1 3.27Å
446	D	89.9	Confident	71.6	Confident	38 Å²	38	65.4 Å²	65.4	20%	0.203	33%	0.331	C	S	.	.	S	Bend	trans	-109.3	-10	-178.2	-67.9	33.9	0	0	0	111.8	M395 T801 I802 N803 T865	M395-D446 WeakPolarHBondContact CE-O 3.39Å; D446-T801 CarbonylContact O-C 3.38Å; D446-T801 VanDerWaalsContact O-CA 3.3Å; D446-T801 WeakPolarHBondContact O-CA 3.2Å; D446-T801 WeakPolarHBondContact O-CG2 3.39Å; D446-I802 PolarHBondContact O-N 3.06Å; D446-N803 HydrophobicContact CB-CB 4.06Å; D446-N803 VanDerWaalsContact OD2-CB 3.25Å; D446-N803 WeakPolarHBondContact OD2-CB 3.37Å; D446-T865 HydrophobicContact CB-CG2 3.82Å; D446-T865 WeakPolarHBondContact OD2-CG2 3.09Å
447	S	93	Very high	71.1	Confident	14 Å²	14	65.2 Å²	65.2	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.8	173	-51.2	0	0	0	0	111.7	R800 T801 Q848	S447-R800 CarbonylContact C-O 3.32Å; S447-R800 WeakPolarHBondContact CA-O 3.07Å; S447-T801 WeakPolarHBondContact CB-OG1 3.22Å; S447-T801 PolarHBondContact OG-OG1 3.23Å; S447-Q848 PolarHBondContact OG-NE2 2.84Å; S447-Q848 VanDerWaalsContact OG-NE2 3.1Å
448	F	95.8	Very high	70.4	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	168.9	171.9	71.7	-83.2	0	0	0	113.2	F82 M395 L397 V450 R800	F82-F448 HydrophobicContact CB-CE1 4.27Å; F82-F448 HydrophobicContact CB-CE2 3.89Å; F82-F448 HydrophobicContact CB-CZ 3.43Å; F82-F448 VanDerWaalsContact CB-CZ 3.43Å; F82-F448 HydrophobicContact CD1-CZ 4.1Å; F82-F448 AromaticContact CD2-CE1 3.72Å; F82-F448 HydrophobicContact CD2-CE1 3.72Å; F82-F448 AromaticContact CD2-CZ 3.7Å; F82-F448 HydrophobicContact CD2-CZ 3.7Å; F82-F448 HydrophobicContact CE2-CE1 4.24Å; F82-F448 HydrophobicContact CE2-CZ 4.48Å; F82-F448 HydrophobicContact CG-CE1 4.02Å; F82-F448 HydrophobicContact CG-CE2 4.41Å; F82-F448 AromaticContact CG-CZ 3.48Å; F82-F448 HydrophobicContact CG-CZ 3.48Å; F82-F448 VanDerWaalsContact CG-CZ 3.48Å; M395-F448 HydrophobicContact CE-CD1 4.07Å; M395-F448 HydrophobicContact SD-CD1 3.69Å; M395-F448 HydrophobicContact SD-CE1 3.64Å; L397-F448 HydrophobicContact CD1-CB 3.64Å; L397-F448 HydrophobicContact CD1-CD2 3.96Å; L397-F448 HydrophobicContact CD1-CG 3.89Å; L397-F448 HydrophobicContact CD2-CB 4.36Å; L397-F448 HydrophobicContact CD2-CD1 3.96Å; L397-F448 HydrophobicContact CD2-CD2 3.46Å; L397-F448 VanDerWaalsContact CD2-CD2 3.46Å; L397-F448 HydrophobicContact CD2-CE1 4.04Å; L397-F448 HydrophobicContact CD2-CE2 3.57Å; L397-F448 HydrophobicContact CD2-CG 3.68Å; L397-F448 HydrophobicContact CD2-CZ 3.87Å; L397-F448 HydrophobicContact CG-CD2 4.38Å; L397-F448 HydrophobicContact CG-CG 4.39Å; F448-V450 HydrophobicContact CD2-CG2 4.33Å; F448-V450 HydrophobicContact CE2-CG2 3.63Å; F448-V450 HydrophobicContact CZ-CG2 4.32Å; F448-R800 HydrophobicContact CD1-CB 4.01Å; F448-R800 HydrophobicContact CD1-CG 4.31Å; F448-R800 HydrophobicContact CE1-CB 3.55Å; F448-R800 HydrophobicContact CE1-CG 3.46Å; F448-R800 VanDerWaalsContact CE1-CG 3.46Å; F448-R800 HydrophobicContact CE2-CB 4.26Å; F448-R800 HydrophobicContact CZ-CB 3.67Å; F448-R800 HydrophobicContact CZ-CG 3.68Å; F448-R800 PolarHBondContact N-O 3.22Å; F448-R800 PolarHBondContact O-N 3.4Å
449	L	96.7	Very high	69.7	Low	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.2	178	174.6	70.4	0	0	0	111	Y100 E451 W797 C798 L849 L852	Y100-L449 HydrophobicContact CD1-CB 4.41Å; Y100-L449 HydrophobicContact CD1-CD2 4.06Å; Y100-L449 HydrophobicContact CE1-CB 3.73Å; Y100-L449 HydrophobicContact CE1-CD2 4.22Å; Y100-L449 HydrophobicContact CE1-CG 4.27Å; Y100-L449 WeakPolarHBondContact CE1-O 3.08Å; L449-E451 HydrophobicContact CD1-CB 4.34Å; L449-E451 HydrophobicContact CD2-CB 4.17Å; L449-E451 HydrophobicContact CD2-CG 4.25Å; L449-E451 HydrophobicContact CG-CB 4.12Å; L449-W797 HydrophobicContact CD1-CB 4.1Å; L449-C798 CarbonylContact C-O 3.52Å; L449-C798 WeakPolarHBondContact CA-O 3.4Å; L449-L849 HydrophobicContact CD1-CD1 3.67Å; L449-L852 HydrophobicContact CB-CB 4.13Å; L449-L852 HydrophobicContact CB-CD1 4.44Å
450	V	97.1	Very high	68.8	Low	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.4	155.5	-177.3	0	0	0	0	107.4	T84 I375 F448 Y796 W797 C798	T84-V450 WeakPolarHBondContact O-CA 3.44Å; I375-V450 HydrophobicContact CD1-CG2 3.92Å; I375-V450 HydrophobicContact CG2-CG1 3.84Å; I375-V450 HydrophobicContact CG2-CG2 4.36Å; F448-V450 HydrophobicContact CD2-CG2 4.33Å; F448-V450 HydrophobicContact CE2-CG2 3.63Å; F448-V450 HydrophobicContact CZ-CG2 4.32Å; V450-Y796 HydrophobicContact CG1-CE2 4.26Å; V450-W797 CarbonylContact O-C 3.59Å; V450-W797 WeakPolarHBondContact O-CA 3.37Å; V450-C798 HydrophobicContact CB-CB 4.26Å; V450-C798 PolarHBondContact N-O 2.93Å; V450-C798 PolarHBondContact O-N 3.37Å
451	E	94.6	Very high	67.8	Low	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.3	178.1	67.3	172.6	148.1	0	0	114	T84 T85 V101 H102 L449	T84-E451 PolarHBondContact O-N 3.34Å; T85-E451 VanDerWaalsContact CB-O 3.29Å; T85-E451 WeakPolarHBondContact CB-O 3.32Å; T85-E451 PolarHBondContact OG1-O 3.29Å; V101-E451 WeakPolarHBondContact CA-OE1 3.49Å; V101-E451 HydrophobicContact CB-CG 3.92Å; V101-E451 WeakPolarHBondContact CB-OE1 3.17Å; V101-E451 HydrophobicContact CG2-CG 4.04Å; V101-E451 PolarHBondContact N-OE1 3.4Å; H102-E451 IonicContact CE1-OE1 2.65Å; H102-E451 IonicContact CG-OE1 2.93Å; H102-E451 IonicContact CG-OE2 2.7Å; H102-E451 PolarHBondContact N-OE1 2.92Å; H102-E451 IonicContact ND1-OE1 3.82Å; H102-E451 PolarHBondContact ND1-OE1 3.47Å; H102-E451 IonicContact ND1-OE2 2.79Å; L449-E451 HydrophobicContact CD1-CB 4.34Å; L449-E451 HydrophobicContact CD2-CB 4.17Å; L449-E451 HydrophobicContact CD2-CG 4.25Å; L449-E451 HydrophobicContact CG-CB 4.12Å
452	R	90.4	Very high	66.6	Low	21 Å²	21	63.7 Å²	63.7	8%	0.079	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	146.1	174.4	-173.1	-179.6	168.4	-148.1	-10.4	111.6	S368 A791 T795 Y796	S368-R452 VanDerWaalsContact CB-NH1 3.26Å; S368-R452 WeakPolarHBondContact O-CD 3.09Å; S368-R452 PolarHBondContact O-NH1 2.94Å; S368-R452 PolarHBondContact OG-NH1 3.4Å; R452-A791 PolarHBondContact NH2-O 3.47Å; R452-T795 CarbonylContact O-C 3.54Å; R452-T795 VanDerWaalsContact O-CA 3.25Å; R452-T795 WeakPolarHBondContact O-CA 3.46Å; R452-T795 WeakPolarHBondContact O-CG2 3.31Å; R452-Y796 HydrophobicContact CB-CD1 4.25Å; R452-Y796 HydrophobicContact CB-CD2 4.06Å; R452-Y796 HydrophobicContact CB-CE1 3.82Å; R452-Y796 HydrophobicContact CB-CE2 3.56Å; R452-Y796 HydrophobicContact CB-CG 4.36Å; R452-Y796 VanDerWaalsContact CB-CZ 3.43Å; R452-Y796 WeakPolarHBondContact CD-OH 3.36Å; R452-Y796 HydrophobicContact CG-CE1 4.29Å; R452-Y796 PolarHBondContact N-O 3.48Å; R452-Y796 PolarHBondContact O-N 3.09Å
453	G	79.1	Confident	64.6	Low	11 Å²	11	69.3 Å²	69.3	11%	0.113	37%	0.366	C	S	.	.	S	Bend	trans	84.8	-177	176.5	0	0	0	0	0	111.7	Y107	Y107-G453 WeakPolarHBondContact CD1-O 3.5Å
454	K	66.8	Low	62.4	Low	89 Å²	89	74.2 Å²	74.2	39%	0.387	38%	0.384	S	S	.	.			trans	-90	147.9	-174.8	-74.2	178.1	168.2	172.3	0	111.3	Y107 E111 L456 T795	Y107-K454 HydrophobicContact CD1-CG 4.38Å; Y107-K454 HydrophobicContact CD2-CG 3.91Å; Y107-K454 HydrophobicContact CE2-CG 4.47Å; Y107-K454 HydrophobicContact CG-CG 3.85Å; E111-K454 IonicContact OE1-NZ 3.61Å; E111-K454 PolarHBondContact OE1-NZ 3.32Å; E111-K454 WeakPolarHBondContact OE2-CE 3.39Å; E111-K454 IonicContact OE2-NZ 2.82Å; E111-K454 PolarHBondContact OE2-NZ 2.95Å; K454-L456 PolarHBondContact O-N 3.38Å; K454-L456 VanDerWaalsContact O-N 3.14Å; K454-T795 WeakPolarHBondContact O-CG2 3.45Å
455	L	52.6	Low	59.4	Low	52 Å²	52	78.7 Å²	78.7	27%	0.272	41%	0.412	S	S	.	.			trans	-57.7	120.6	151.7	-76.9	91.9	0	0	0	109	H102 Y107 H457	H102-L455 HydrophobicContact CB-CD1 3.84Å; Y107-L455 HydrophobicContact CE1-CD1 4.42Å; L455-H457 PolarHBondContact O-N 3.32Å
456	L	41.4	Very low	56.3	Low	149 Å²	149	82.9 Å²	82.9	78%	0.78	44%	0.442	S	S	*	.			trans	-67.1	89	153.9	-66.6	174.8	0	0	0	106.9	K454 Q458	K454-L456 PolarHBondContact O-N 3.38Å; K454-L456 VanDerWaalsContact O-N 3.14Å; L456-Q458 PolarHBondContact O-N 3.04Å; L456-Q458 VanDerWaalsContact O-N 3.16Å
457	H	35	Very low	53.4	Low	148 Å²	148	88.9 Å²	88.9	69%	0.685	47%	0.469	S	S	*	.			trans	-59.6	118.3	166.7	-80.1	5.5	0	0	0	108.3	L455 Q459	L455-H457 PolarHBondContact O-N 3.32Å; H457-Q459 PolarHBondContact O-N 3Å
458	Q	29.2	Very low	50.3	Low	143 Å²	143	97 Å²	97	67%	0.668	51%	0.505	S	S	*	.			trans	-55.1	123.9	164.2	-167	177.7	24.7	0	0	107.4	L456 V460	L456-Q458 PolarHBondContact O-N 3.04Å; L456-Q458 VanDerWaalsContact O-N 3.16Å; Q458-V460 WeakPolarHBondContact O-CG2 3.41Å; Q458-V460 PolarHBondContact O-N 2.92Å
459	Q	25.9	Very low	47.3	Very low	145 Å²	145	103.2 Å²	103.2	68%	0.678	54%	0.535	S	S	*	.			trans	-73.3	97.5	-171.7	-176.6	174.5	-13.2	0	0	109.7	H457 E461	H457-Q459 PolarHBondContact O-N 3Å; Q459-E461 HydrophobicContact CG-CB 4.41Å; Q459-E461 HydrophobicContact CG-CG 4.46Å; Q459-E461 PolarHBondContact NE2-OE2 3.17Å; Q459-E461 PolarHBondContact O-N 3.45Å
460	V	33.2	Very low	44.2	Very low	142 Å²	142	110.5 Å²	110.5	86%	0.861	57%	0.574	S	S	*	*			trans	-74.3	67.5	179.4	-168.3	0	0	0	0	110.8	Q458	Q458-V460 WeakPolarHBondContact O-CG2 3.41Å; Q458-V460 PolarHBondContact O-N 2.92Å
461	E	27.7	Very low	41.4	Very low	147 Å²	147	116.4 Å²	116.4	69%	0.687	60%	0.599	S	S	*	*	S	Bend	trans	-123.2	66.3	168.5	-76.6	-168.6	123.5	0	0	110.3	Q459 K463	Q459-E461 HydrophobicContact CG-CB 4.41Å; Q459-E461 HydrophobicContact CG-CG 4.46Å; Q459-E461 PolarHBondContact NE2-OE2 3.17Å; Q459-E461 PolarHBondContact O-N 3.45Å; E461-K463 VanDerWaalsContact C-N 3.27Å; E461-K463 PolarHBondContact O-N 3.16Å
462	G	31.7	Very low	39.1	Very low	84 Å²	84	120.6 Å²	120.6	87%	0.866	62%	0.622	S	S	*	*	S	Bend	trans	64.9	15.7	156.6	0	0	0	0	0	117.7
463	K	26.9	Very low	37.2	Very low	178 Å²	178	122.8 Å²	122.8	77%	0.774	64%	0.639	S	S	*	*			trans	-137	127.3	171	-70.4	-167.2	172.9	-167.6	0	111.1	E461 V465	E461-K463 VanDerWaalsContact C-N 3.27Å; E461-K463 PolarHBondContact O-N 3.16Å; K463-V465 VanDerWaalsContact C-N 3.33Å; K463-V465 PolarHBondContact O-N 3.38Å
464	E	26	Very low	35.8	Very low	178 Å²	178	130.2 Å²	130.2	83%	0.832	67%	0.668	S	S	*	*			trans	-63.6	96.2	162.4	-67.8	-178.8	140.7	0	0	108.3	S466	E464-S466 PolarHBondContact O-N 2.9Å
465	V	25.5	Very low	35.7	Very low	107 Å²	107	131 Å²	131	65%	0.648	67%	0.672	S	S	*	*			trans	-81.5	102.8	155.5	-179.5	0	0	0	0	105.1	K463	K463-V465 VanDerWaalsContact C-N 3.33Å; K463-V465 PolarHBondContact O-N 3.38Å
466	S	24.9	Very low	36.3	Very low	94 Å²	94	132.4 Å²	132.4	66%	0.657	68%	0.678	S	S	*	*			trans	-50.2	140.1	166.5	50.4	0	0	0	0	109.2	E464 E468	E464-S466 PolarHBondContact O-N 2.9Å; S466-E468 PolarHBondContact O-N 3.37Å
467	Q	28.5	Very low	37.6	Very low	164 Å²	164	129.9 Å²	129.9	77%	0.766	66%	0.658	S	S	*	*			trans	-52.8	131.5	169.6	-69.7	161.2	-83.7	0	0	108.5	E469	Q467-E469 PolarHBondContact O-N 3.34Å
468	E	27.6	Very low	39.4	Very low	184 Å²	184	124 Å²	124	86%	0.86	63%	0.632	S	S	*	*			trans	-73.3	82.9	170.1	-71.6	-174.7	134.4	0	0	107.5	S466 N470	S466-E468 PolarHBondContact O-N 3.37Å; E468-N470 PolarHBondContact O-N 2.73Å
469	E	32.2	Very low	41.7	Very low	131 Å²	131	123 Å²	123	61%	0.612	63%	0.625	S	S	*	*			trans	-55	126.4	172.2	-67.8	176.9	162.6	0	0	108.9	Q467 F471	Q467-E469 PolarHBondContact O-N 3.34Å; E469-F471 HydrophobicContact CB-CD2 4.21Å; E469-F471 HydrophobicContact CB-CE2 3.79Å; E469-F471 HydrophobicContact CB-CZ 4.04Å; E469-F471 VanDerWaalsContact O-CD2 3.3Å; E469-F471 WeakPolarHBondContact O-CD2 3.45Å; E469-F471 PolarHBondContact O-N 3.28Å; E469-F471 WeakPolarHBondContact OE2-CZ 3.37Å
470	N	31.8	Very low	44	Very low	154 Å²	154	119 Å²	119	82%	0.824	61%	0.609	S	S	*	*			trans	-71.4	74.2	-175.6	-82.7	-46.7	0	0	0	111.4	E468	E468-N470 PolarHBondContact O-N 2.73Å
471	F	38.4	Very low	46	Very low	123 Å²	123	114.9 Å²	114.9	54%	0.539	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-73.4	127.6	176.2	-71.1	-63.5	0	0	0	112	E469 R477	E469-F471 HydrophobicContact CB-CD2 4.21Å; E469-F471 HydrophobicContact CB-CE2 3.79Å; E469-F471 HydrophobicContact CB-CZ 4.04Å; E469-F471 VanDerWaalsContact O-CD2 3.3Å; E469-F471 WeakPolarHBondContact O-CD2 3.45Å; E469-F471 PolarHBondContact O-N 3.28Å; E469-F471 WeakPolarHBondContact OE2-CZ 3.37Å; F471-R477 VanDerWaalsContact CD1-CZ 3.49Å
472	L	45.9	Very low	48.4	Very low	89 Å²	89	108.3 Å²	108.3	47%	0.466	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-48.8	145.7	158.8	-77.5	169.4	0	0	0	110.8	K474 R477	L472-K474 PolarHBondContact O-N 3.33Å; L472-R477 HydrophobicContact CB-CG 3.71Å; L472-R477 PolarHBondContact O-NE 3.42Å; L472-R477 PolarHBondContact O-NH2 3.36Å
473	P	51.8	Low	50.6	Low	67 Å²	67	110.4 Å²	110.4	44%	0.435	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-49.4	140	178	-28.8	35.9	0	0	0	111.9	H475 Q476 R477	P473-H475 PolarHBondContact O-N 3.46Å; P473-Q476 PolarHBondContact O-N 3.11Å; P473-R477 PolarHBondContact O-N 3.05Å
474	K	49.7	Very low	52.9	Low	166 Å²	166	108 Å²	108	72%	0.722	53%	0.525	S	S	*	.	H	α-helix	trans	-51.9	-34.7	-171.5	-179.4	176.4	174.9	180	0	113.6	L472 V478	L472-K474 PolarHBondContact O-N 3.33Å; K474-V478 WeakPolarHBondContact O-CG2 3.41Å; K474-V478 PolarHBondContact O-N 3.19Å
475	H	63.8	Low	55	Low	105 Å²	105	103 Å²	103	49%	0.486	51%	0.514	S	S	.	.	H	α-helix	trans	-69	-34.3	178.3	73	-92.9	0	0	0	113	P473 V478 K479	P473-H475 PolarHBondContact O-N 3.46Å; H475-V478 PolarHBondContact O-N 2.65Å; H475-K479 PolarHBondContact O-N 2.89Å
476	Q	66.1	Low	57.1	Low	82 Å²	82	102.4 Å²	102.4	38%	0.383	51%	0.505	S	S	.	.	H	α-helix	trans	-77	-44	-176.3	-161.6	157	2.2	0	0	110.5	P473 V478 K479 D480	P473-Q476 PolarHBondContact O-N 3.11Å; Q476-V478 PolarHBondContact O-N 3.04Å; Q476-K479 WeakPolarHBondContact O-CA 3.49Å; Q476-K479 WeakPolarHBondContact O-CB 3.39Å; Q476-K479 PolarHBondContact O-N 3.23Å; Q476-D480 PolarHBondContact O-N 3.19Å
477	R	67.8	Low	59.4	Low	97 Å²	97	100.2 Å²	100.2	37%	0.366	48%	0.482	S	S	.	.	H	α-helix	trans	-55	-36.2	170	-73.4	-171.8	-82.4	160.2	-8.1	113.6	F471 L472 P473 L481	F471-R477 VanDerWaalsContact CD1-CZ 3.49Å; L472-R477 HydrophobicContact CB-CG 3.71Å; L472-R477 PolarHBondContact O-NE 3.42Å; L472-R477 PolarHBondContact O-NH2 3.36Å; P473-R477 PolarHBondContact O-N 3.05Å; R477-L481 WeakPolarHBondContact O-CB 3.12Å; R477-L481 WeakPolarHBondContact O-CD1 3.18Å; R477-L481 VanDerWaalsContact O-CG 3.24Å; R477-L481 WeakPolarHBondContact O-CG 3.24Å; R477-L481 PolarHBondContact O-N 2.89Å; R477-L481 VanDerWaalsContact O-N 3.08Å
478	V	73.8	Confident	61.6	Low	25 Å²	25	97.9 Å²	97.9	15%	0.152	47%	0.471	C	S	.	.	H	α-helix	trans	-72.9	-40	175.9	175.1	0	0	0	0	111	K474 H475 Q476 D480 L481 C482 L508 L510	K474-V478 WeakPolarHBondContact O-CG2 3.41Å; K474-V478 PolarHBondContact O-N 3.19Å; H475-V478 PolarHBondContact O-N 2.65Å; Q476-V478 PolarHBondContact O-N 3.04Å; V478-D480 PolarHBondContact O-N 3.48Å; V478-L481 PolarHBondContact O-N 3.02Å; V478-C482 WeakPolarHBondContact O-CB 3.26Å; V478-C482 PolarHBondContact O-N 3.18Å; V478-C482 PolarHBondContact O-SG 3.15Å; V478-L508 HydrophobicContact CG1-CB 4.23Å; V478-L508 VanDerWaalsContact CG1-O 3.26Å; V478-L508 WeakPolarHBondContact CG1-O 3.36Å; V478-L510 HydrophobicContact CG1-CD1 4.27Å
479	K	76.1	Confident	63.7	Low	120 Å²	120	91.1 Å²	91.1	52%	0.522	44%	0.443	S	S	.	.	H	α-helix	trans	-57.1	-47.9	173.4	-172.4	174.1	-178.3	177.3	0	111.5	H475 Q476 C482 Q483 L508	H475-K479 PolarHBondContact O-N 2.89Å; Q476-K479 WeakPolarHBondContact O-CA 3.49Å; Q476-K479 WeakPolarHBondContact O-CB 3.39Å; Q476-K479 PolarHBondContact O-N 3.23Å; K479-C482 CarbonylContact O-C 3.57Å; K479-C482 PolarHBondContact O-N 3.39Å; K479-Q483 PolarHBondContact O-N 3.21Å; K479-Q483 VanDerWaalsContact O-N 3.14Å; K479-L508 HydrophobicContact CG-CD1 4.23Å
480	D	75.4	Confident	65.8	Low	62 Å²	62	88 Å²	88	33%	0.332	43%	0.433	S	S	.	.	H	α-helix	trans	-68.2	-36.4	-178.2	-51.3	-17.3	0	0	0	111.9	Q476 V478 Q483	Q476-D480 PolarHBondContact O-N 3.19Å; V478-D480 PolarHBondContact O-N 3.48Å; D480-Q483 PolarHBondContact O-N 2.88Å
481	L	74.8	Confident	67.7	Low	55 Å²	55	82.9 Å²	82.9	29%	0.288	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-45.3	170.4	-76.1	167.2	0	0	0	111	R477 V478 Q483 R484 Y487 L510	R477-L481 WeakPolarHBondContact O-CB 3.12Å; R477-L481 WeakPolarHBondContact O-CD1 3.18Å; R477-L481 VanDerWaalsContact O-CG 3.24Å; R477-L481 WeakPolarHBondContact O-CG 3.24Å; R477-L481 PolarHBondContact O-N 2.89Å; R477-L481 VanDerWaalsContact O-N 3.08Å; V478-L481 PolarHBondContact O-N 3.02Å; L481-Q483 PolarHBondContact O-N 3.46Å; L481-Q483 VanDerWaalsContact O-N 3.15Å; L481-R484 WeakPolarHBondContact O-CB 3.49Å; L481-R484 PolarHBondContact O-N 3.2Å; L481-Y487 HydrophobicContact CB-CD2 4.4Å; L481-Y487 HydrophobicContact CD2-CD2 4.5Å; L481-Y487 HydrophobicContact CD2-CE2 3.94Å; L481-Y487 WeakPolarHBondContact O-CD2 3.23Å; L481-L510 HydrophobicContact CB-CD1 4.15Å; L481-L510 HydrophobicContact CD1-CD1 4.48Å
482	C	78.1	Confident	69.1	Low	9 Å²	9	84.9 Å²	84.9	6%	0.061	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.5	178.7	-61.9	0	0	0	0	114.9	V478 K479 R484 Q488 C500 L508	V478-C482 WeakPolarHBondContact O-CB 3.26Å; V478-C482 PolarHBondContact O-N 3.18Å; V478-C482 PolarHBondContact O-SG 3.15Å; K479-C482 CarbonylContact O-C 3.57Å; K479-C482 PolarHBondContact O-N 3.39Å; C482-R484 VanDerWaalsContact C-N 3.33Å; C482-Q488 VanDerWaalsContact O-CG 3.25Å; C482-Q488 WeakPolarHBondContact O-CG 3.46Å; C482-Q488 PolarHBondContact O-NE2 3.45Å; C482-C500 WeakPolarHBondContact CA-SG 3.2Å; C482-C500 HydrophobicContact CB-CB 3.67Å; C482-C500 WeakPolarHBondContact CB-SG 3.25Å; C482-C500 WeakPolarHBondContact SG-CB 3.4Å; C482-C500 CovalentContact SG-SG 2.02Å; C482-C500 PolarHBondContact SG-SG 2.83Å; C482-L508 HydrophobicContact CB-CD1 3.96Å; C482-L508 HydrophobicContact CB-CD2 4.38Å
483	Q	77.8	Confident	69.9	Low	128 Å²	128	86.2 Å²	86.2	60%	0.598	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.2	168.7	-74.5	177.4	-23.4	0	0	113.3	K479 D480 L481 Q488	K479-Q483 PolarHBondContact O-N 3.21Å; K479-Q483 VanDerWaalsContact O-N 3.14Å; D480-Q483 PolarHBondContact O-N 2.88Å; L481-Q483 PolarHBondContact O-N 3.46Å; L481-Q483 VanDerWaalsContact O-N 3.15Å; Q483-Q488 PolarHBondContact O-NE2 2.84Å
484	R	75.2	Confident	70.3	Confident	128 Å²	128	90.2 Å²	90.2	48%	0.483	45%	0.447	S	S	.	.	S	Bend	trans	-87.7	134.6	176.9	-52.8	-178.1	179.7	-170.1	-2.1	111.3	L481 C482 E486 Y487 Q488	L481-R484 WeakPolarHBondContact O-CB 3.49Å; L481-R484 PolarHBondContact O-N 3.2Å; C482-R484 VanDerWaalsContact C-N 3.33Å; R484-E486 HydrophobicContact CB-CG 3.84Å; R484-E486 WeakPolarHBondContact CD-OE1 3.36Å; R484-E486 IonicContact CZ-OE1 3.7Å; R484-E486 IonicContact NE-OE1 3.79Å; R484-E486 IonicContact NH1-OE1 2.8Å; R484-E486 PolarHBondContact NH1-OE1 3.01Å; R484-E486 PolarHBondContact O-N 2.9Å; R484-E486 VanDerWaalsContact O-N 3.1Å; R484-Y487 HydrophobicContact CB-CD2 4.26Å; R484-Y487 PolarHBondContact O-N 3.18Å; R484-Q488 PolarHBondContact O-N 3.35Å
485	A	70.8	Confident	71	Confident	72 Å²	72	84.8 Å²	84.8	60%	0.595	44%	0.439	S	S	*	.	H	α-helix	trans	-52.8	-34.3	177.6	0	0	0	0	0	113.5	Y487 Q488	A485-Y487 PolarHBondContact O-N 3.48Å; A485-Y487 VanDerWaalsContact O-N 3.09Å; A485-Q488 PolarHBondContact O-N 3.01Å; A485-Q488 VanDerWaalsContact O-N 3.16Å
486	E	68.5	Low	71.2	Confident	96 Å²	96	80.7 Å²	80.7	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-17	178.1	68.5	-178.4	171.1	0	0	115	R484	R484-E486 HydrophobicContact CB-CG 3.84Å; R484-E486 WeakPolarHBondContact CD-OE1 3.36Å; R484-E486 IonicContact CZ-OE1 3.7Å; R484-E486 IonicContact NE-OE1 3.79Å; R484-E486 IonicContact NH1-OE1 2.8Å; R484-E486 PolarHBondContact NH1-OE1 3.01Å; R484-E486 PolarHBondContact O-N 2.9Å; R484-E486 VanDerWaalsContact O-N 3.1Å
487	Y	74	Confident	71.5	Confident	47 Å²	47	83.7 Å²	83.7	18%	0.184	43%	0.431	C	S	.	.	H	α-helix	trans	-118.7	-3.7	176.5	-56.4	-60.9	0	0	0	113.9	L481 R484 A485 W498 C500	L481-Y487 HydrophobicContact CB-CD2 4.4Å; L481-Y487 HydrophobicContact CD2-CD2 4.5Å; L481-Y487 HydrophobicContact CD2-CE2 3.94Å; L481-Y487 WeakPolarHBondContact O-CD2 3.23Å; R484-Y487 HydrophobicContact CB-CD2 4.26Å; R484-Y487 PolarHBondContact O-N 3.18Å; A485-Y487 PolarHBondContact O-N 3.48Å; A485-Y487 VanDerWaalsContact O-N 3.09Å; Y487-W498 HydrophobicContact CD1-CB 3.88Å; Y487-W498 HydrophobicContact CE1-CB 3.95Å; Y487-C500 WeakPolarHBondContact O-CB 3.45Å; Y487-C500 PolarHBondContact O-N 2.56Å
488	Q	73.9	Confident	72.1	Confident	115 Å²	115	84.3 Å²	84.3	54%	0.537	43%	0.434	S	S	.	.	H	α-helix	trans	-86.6	-28.1	178.9	-72.8	175.1	-7.8	0	0	112.8	C482 Q483 R484 A485	C482-Q488 VanDerWaalsContact O-CG 3.25Å; C482-Q488 WeakPolarHBondContact O-CG 3.46Å; C482-Q488 PolarHBondContact O-NE2 3.45Å; Q483-Q488 PolarHBondContact O-NE2 2.84Å; R484-Q488 PolarHBondContact O-N 3.35Å; A485-Q488 PolarHBondContact O-N 3.01Å; A485-Q488 VanDerWaalsContact O-N 3.16Å
489	T	71.9	Confident	72.5	Confident	43 Å²	43	85.3 Å²	85.3	26%	0.264	44%	0.437	S	S	.	.	S	Bend	trans	-67.7	139.1	175.7	47.2	0	0	0	0	111.2	Q496	T489-Q496 PolarHBondContact O-NE2 2.94Å; T489-Q496 PolarHBondContact OG1-NE2 3.35Å; T489-Q496 VanDerWaalsContact OG1-NE2 3.1Å
490	P	76.1	Confident	73.1	Confident	64 Å²	64	80.4 Å²	80.4	42%	0.416	42%	0.418	S	S	.	.			trans	-56.1	151	168.5	-25.1	35.3	0	0	0	112.1	Q492 Q496	P490-Q492 HydrophobicContact CB-CG 4.27Å; P490-Q492 PolarHBondContact O-N 3.32Å; P490-Q496 PolarHBondContact O-OE1 2.91Å
491	C	72.6	Confident	73.4	Confident	47 Å²	47	80.4 Å²	80.4	32%	0.318	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	70.9	177.1	-72.8	0	0	0	0	113.5	Q499 C513	C491-Q499 WeakPolarHBondContact SG-CB 3.47Å; C491-Q499 PolarHBondContact SG-OE1 2.91Å; C491-C513 HydrophobicContact CB-CB 3.66Å; C491-C513 WeakPolarHBondContact CB-SG 3.08Å; C491-C513 WeakPolarHBondContact SG-CA 3.21Å; C491-C513 WeakPolarHBondContact SG-CB 3.26Å; C491-C513 CovalentContact SG-SG 2.04Å; C491-C513 PolarHBondContact SG-SG 2.99Å
492	Q	66.3	Low	73.8	Confident	166 Å²	166	83.3 Å²	83.3	78%	0.776	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-17.9	-176.1	-69.5	176.4	-27.1	0	0	112.2	P490	P490-Q492 HydrophobicContact CB-CG 4.27Å; P490-Q492 PolarHBondContact O-N 3.32Å
493	Q	64.1	Low	73.7	Confident	117 Å²	117	84.4 Å²	84.4	55%	0.547	44%	0.437	S	S	.	.	S	Bend	trans	-85.4	127.7	-178.5	-67.8	179	-22.6	0	0	111.4	G495 Q496	Q493-G495 PolarHBondContact O-N 3.29Å; Q493-Q496 HydrophobicContact CB-CB 4.21Å; Q493-Q496 WeakPolarHBondContact O-CB 3.17Å; Q493-Q496 PolarHBondContact O-N 2.77Å
494	T	60.3	Low	73.4	Confident	150 Å²	150	84.1 Å²	84.1	92%	0.92	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	111.7	179.7	47.4	0	0	0	0	111.5
495	G	64.1	Low	73.2	Confident	52 Å²	52	82.2 Å²	82.2	54%	0.536	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	105	-10.6	-177.5	0	0	0	0	0	114.8	Q493	Q493-G495 PolarHBondContact O-N 3.29Å
496	Q	67.2	Low	73.2	Confident	19 Å²	19	81.6 Å²	81.6	9%	0.089	46%	0.464	C	S	.	.			trans	-61	140.5	170.1	-164.9	179.7	6.7	0	0	110.1	T489 P490 Q493 W498 N515	T489-Q496 PolarHBondContact O-NE2 2.94Å; T489-Q496 PolarHBondContact OG1-NE2 3.35Å; T489-Q496 VanDerWaalsContact OG1-NE2 3.1Å; P490-Q496 PolarHBondContact O-OE1 2.91Å; Q493-Q496 HydrophobicContact CB-CB 4.21Å; Q493-Q496 WeakPolarHBondContact O-CB 3.17Å; Q493-Q496 PolarHBondContact O-N 2.77Å; Q496-W498 PolarHBondContact NE2-O 3.09Å; Q496-N515 PolarHBondContact O-ND2 3.45Å
497	K	72.6	Confident	73.5	Confident	145 Å²	145	82.1 Å²	82.1	63%	0.63	46%	0.464	S	S	*	.			trans	-118.2	-23.1	-174.3	-69.2	172.9	-173.3	168.4	0	113.7	K512 C513	K497-K512 WeakPolarHBondContact O-CA 3.04Å; K497-K512 VanDerWaalsContact O-CG 3.25Å; K497-K512 WeakPolarHBondContact O-CG 3.44Å; K497-C513 PolarHBondContact O-N 2.68Å
498	W	79.6	Confident	73.7	Confident	110 Å²	110	82.6 Å²	82.6	42%	0.417	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.9	-176.5	-53.1	94.3	0	0	0	110.9	Y487 Q496 L510 F511 K512	Y487-W498 HydrophobicContact CD1-CB 3.88Å; Y487-W498 HydrophobicContact CE1-CB 3.95Å; Q496-W498 PolarHBondContact NE2-O 3.09Å; W498-L510 HydrophobicContact CB-CD2 3.87Å; W498-L510 HydrophobicContact CB-CG 4.3Å; W498-L510 HydrophobicContact CD2-CD2 4.18Å; W498-L510 HydrophobicContact CE3-CB 4.4Å; W498-L510 HydrophobicContact CE3-CD2 4.26Å; W498-L510 HydrophobicContact CG-CD2 4.01Å; W498-F511 CarbonylContact C-O 3.58Å; W498-F511 WeakPolarHBondContact CA-O 3.35Å; W498-K512 HydrophobicContact CD2-CB 4.4Å; W498-K512 HydrophobicContact CD2-CG 4.3Å; W498-K512 HydrophobicContact CE3-CB 3.73Å; W498-K512 HydrophobicContact CE3-CG 4.09Å; W498-K512 HydrophobicContact CH2-CB 4.17Å; W498-K512 HydrophobicContact CH2-CD 4.35Å; W498-K512 HydrophobicContact CH2-CG 4.16Å; W498-K512 HydrophobicContact CZ2-CG 4.36Å; W498-K512 HydrophobicContact CZ3-CB 3.6Å; W498-K512 HydrophobicContact CZ3-CG 4.02Å
499	Q	83.8	Confident	73.9	Confident	47 Å²	47	83.6 Å²	83.6	22%	0.22	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.9	174	168.7	-176.4	-6.5	0	0	108.6	C491 V501 F511	C491-Q499 WeakPolarHBondContact SG-CB 3.47Å; C491-Q499 PolarHBondContact SG-OE1 2.91Å; Q499-V501 HydrophobicContact CG-CG2 4.33Å; Q499-F511 PolarHBondContact N-O 2.69Å; Q499-F511 PolarHBondContact O-N 2.94Å
500	C	87.9	Confident	74.2	Confident	17 Å²	17	84 Å²	84	12%	0.115	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.8	168	-73.9	0	0	0	0	112.4	C482 Y487 R509 L510	C482-C500 WeakPolarHBondContact CA-SG 3.2Å; C482-C500 HydrophobicContact CB-CB 3.67Å; C482-C500 WeakPolarHBondContact CB-SG 3.25Å; C482-C500 WeakPolarHBondContact SG-CB 3.4Å; C482-C500 CovalentContact SG-SG 2.02Å; C482-C500 PolarHBondContact SG-SG 2.83Å; Y487-C500 WeakPolarHBondContact O-CB 3.45Å; Y487-C500 PolarHBondContact O-N 2.56Å; C500-R509 WeakPolarHBondContact CA-O 3.35Å; C500-L510 WeakPolarHBondContact SG-CD1 3.3Å
501	V	81.8	Confident	74.3	Confident	61 Å²	61	85.8 Å²	85.8	37%	0.37	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143	174	-172.9	0	0	0	0	108.1	Q499 R509 F511	Q499-V501 HydrophobicContact CG-CG2 4.33Å; V501-R509 PolarHBondContact N-O 2.88Å; V501-R509 PolarHBondContact O-N 2.86Å; V501-F511 HydrophobicContact CB-CD2 3.73Å; V501-F511 HydrophobicContact CB-CE2 3.93Å; V501-F511 HydrophobicContact CG2-CB 4.47Å; V501-F511 HydrophobicContact CG2-CD2 3.76Å; V501-F511 HydrophobicContact CG2-CE2 4.38Å; V501-F511 HydrophobicContact CG2-CG 4.35Å
502	E	83.1	Confident	74.5	Confident	116 Å²	116	90.6 Å²	90.6	54%	0.542	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.9	175.6	-171.9	152.6	-146.3	0	0	111	G506 K507 L508	E502-G506 VanDerWaalsContact OE1-CA 3.25Å; E502-G506 WeakPolarHBondContact OE1-CA 3.4Å; E502-K507 PolarHBondContact OE1-N 3.07Å; E502-L508 HydrophobicContact CB-CD2 4.11Å
503	D	75.2	Confident	75	Confident	33 Å²	33	83.2 Å²	83.2	18%	0.176	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	156.4	170.3	-68.2	-25.7	0	0	0	110.6	S505 G506 K507 R509	D503-S505 PolarHBondContact O-N 3.18Å; D503-G506 PolarHBondContact O-N 3.04Å; D503-K507 PolarHBondContact N-O 2.76Å; D503-R509 VanDerWaalsContact OD1-CD 3.27Å; D503-R509 WeakPolarHBondContact OD1-CD 3.39Å; D503-R509 IonicContact OD1-CZ 3.42Å; D503-R509 IonicContact OD1-NE 3.05Å; D503-R509 PolarHBondContact OD1-NE 3.49Å; D503-R509 IonicContact OD1-NH2 3.64Å; D503-R509 IonicContact OD2-CZ 3.48Å; D503-R509 IonicContact OD2-NE 3.72Å; D503-R509 PolarHBondContact OD2-NE 3.06Å; D503-R509 IonicContact OD2-NH2 3.36Å; D503-R509 PolarHBondContact OD2-NH2 2.92Å
504	A	71.8	Confident	75.2	Confident	122 Å²	122	86.6 Å²	86.6	100%	1.008	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	13.8	166.9	0	0	0	0	0	116
505	S	72	Confident	74.9	Confident	88 Å²	88	83.9 Å²	83.9	62%	0.615	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	16.5	172.6	59.6	0	0	0	0	113.1	D503	D503-S505 PolarHBondContact O-N 3.18Å
506	G	70.8	Confident	73.9	Confident	59 Å²	59	90 Å²	90	61%	0.608	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	44.9	-179.1	0	0	0	0	0	112.1	E502 D503	E502-G506 VanDerWaalsContact OE1-CA 3.25Å; E502-G506 WeakPolarHBondContact OE1-CA 3.4Å; D503-G506 PolarHBondContact O-N 3.04Å
507	K	74.3	Confident	72.5	Confident	107 Å²	107	92.9 Å²	92.9	47%	0.465	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	112.4	-170.5	-159.9	168.1	-165.4	160.4	0	113.2	E502 D503	E502-K507 PolarHBondContact OE1-N 3.07Å; D503-K507 PolarHBondContact N-O 2.76Å
508	L	77.9	Confident	70.4	Confident	57 Å²	57	90 Å²	90	30%	0.298	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	139.5	178.6	-65.4	162	0	0	0	112.7	V478 K479 C482 E502	V478-L508 HydrophobicContact CG1-CB 4.23Å; V478-L508 VanDerWaalsContact CG1-O 3.26Å; V478-L508 WeakPolarHBondContact CG1-O 3.36Å; K479-L508 HydrophobicContact CG-CD1 4.23Å; C482-L508 HydrophobicContact CB-CD1 3.96Å; C482-L508 HydrophobicContact CB-CD2 4.38Å; E502-L508 HydrophobicContact CB-CD2 4.11Å
509	R	77.6	Confident	67.9	Low	135 Å²	135	89 Å²	89	51%	0.509	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145	172.6	-65.8	-162.7	-172	177.5	18	111	C500 V501 D503 F511	C500-R509 WeakPolarHBondContact CA-O 3.35Å; V501-R509 PolarHBondContact N-O 2.88Å; V501-R509 PolarHBondContact O-N 2.86Å; D503-R509 VanDerWaalsContact OD1-CD 3.27Å; D503-R509 WeakPolarHBondContact OD1-CD 3.39Å; D503-R509 IonicContact OD1-CZ 3.42Å; D503-R509 IonicContact OD1-NE 3.05Å; D503-R509 PolarHBondContact OD1-NE 3.49Å; D503-R509 IonicContact OD1-NH2 3.64Å; D503-R509 IonicContact OD2-CZ 3.48Å; D503-R509 IonicContact OD2-NE 3.72Å; D503-R509 PolarHBondContact OD2-NE 3.06Å; D503-R509 IonicContact OD2-NH2 3.36Å; D503-R509 PolarHBondContact OD2-NH2 2.92Å; R509-F511 HydrophobicContact CB-CD2 4.26Å; R509-F511 HydrophobicContact CB-CE2 3.89Å
510	L	79.2	Confident	65.8	Low	51 Å²	51	91.4 Å²	91.4	27%	0.267	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.3	125.6	164.7	-107.2	77.2	0	0	0	110.2	V478 L481 W498 C500	V478-L510 HydrophobicContact CG1-CD1 4.27Å; L481-L510 HydrophobicContact CB-CD1 4.15Å; L481-L510 HydrophobicContact CD1-CD1 4.48Å; W498-L510 HydrophobicContact CB-CD2 3.87Å; W498-L510 HydrophobicContact CB-CG 4.3Å; W498-L510 HydrophobicContact CD2-CD2 4.18Å; W498-L510 HydrophobicContact CE3-CB 4.4Å; W498-L510 HydrophobicContact CE3-CD2 4.26Å; W498-L510 HydrophobicContact CG-CD2 4.01Å; C500-L510 WeakPolarHBondContact SG-CD1 3.3Å
511	F	78.8	Confident	63.1	Low	103 Å²	103	99.9 Å²	99.9	45%	0.452	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	150.2	166.5	-77.8	-95.5	0	0	0	110	W498 Q499 V501 R509	W498-F511 CarbonylContact C-O 3.58Å; W498-F511 WeakPolarHBondContact CA-O 3.35Å; Q499-F511 PolarHBondContact N-O 2.69Å; Q499-F511 PolarHBondContact O-N 2.94Å; V501-F511 HydrophobicContact CB-CD2 3.73Å; V501-F511 HydrophobicContact CB-CE2 3.93Å; V501-F511 HydrophobicContact CG2-CB 4.47Å; V501-F511 HydrophobicContact CG2-CD2 3.76Å; V501-F511 HydrophobicContact CG2-CE2 4.38Å; V501-F511 HydrophobicContact CG2-CG 4.35Å; R509-F511 HydrophobicContact CB-CD2 4.26Å; R509-F511 HydrophobicContact CB-CE2 3.89Å
512	K	76.1	Confident	60.5	Low	148 Å²	148	103.7 Å²	103.7	64%	0.643	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.7	130.4	-179.6	-164.8	-171.3	173.9	-171.4	0	110.3	K497 W498	K497-K512 WeakPolarHBondContact O-CA 3.04Å; K497-K512 VanDerWaalsContact O-CG 3.25Å; K497-K512 WeakPolarHBondContact O-CG 3.44Å; W498-K512 HydrophobicContact CD2-CB 4.4Å; W498-K512 HydrophobicContact CD2-CG 4.3Å; W498-K512 HydrophobicContact CE3-CB 3.73Å; W498-K512 HydrophobicContact CE3-CG 4.09Å; W498-K512 HydrophobicContact CH2-CB 4.17Å; W498-K512 HydrophobicContact CH2-CD 4.35Å; W498-K512 HydrophobicContact CH2-CG 4.16Å; W498-K512 HydrophobicContact CZ2-CG 4.36Å; W498-K512 HydrophobicContact CZ3-CB 3.6Å; W498-K512 HydrophobicContact CZ3-CG 4.02Å
513	C	77.8	Confident	57.8	Low	11 Å²	11	106.2 Å²	106.2	7%	0.074	62%	0.619	C	S	.	*			trans	-66	138.4	174.3	-57.3	0	0	0	0	111.2	C491 K497	C491-C513 HydrophobicContact CB-CB 3.66Å; C491-C513 WeakPolarHBondContact CB-SG 3.08Å; C491-C513 WeakPolarHBondContact SG-CA 3.21Å; C491-C513 WeakPolarHBondContact SG-CB 3.26Å; C491-C513 CovalentContact SG-SG 2.04Å; C491-C513 PolarHBondContact SG-SG 2.99Å; K497-C513 PolarHBondContact O-N 2.68Å
514	K	67.4	Low	55.5	Low	187 Å²	187	112.8 Å²	112.8	81%	0.813	65%	0.649	S	S	*	*			trans	-95.4	109.2	166.3	-70.6	-177.8	179	-179.5	0	107.7
515	N	54.4	Low	53.3	Low	94 Å²	94	117.7 Å²	117.7	50%	0.503	64%	0.641	S	S	.	*			trans	-95.6	121	172.5	-60.9	6.1	0	0	0	107.7	Q496	Q496-N515 PolarHBondContact O-ND2 3.45Å
516	E	43.2	Very low	51.1	Low	180 Å²	180	117 Å²	117	84%	0.841	65%	0.649	S	S	*	*			trans	-99.1	131.3	178.5	-60.8	-169.8	158.1	0	0	110.1
517	G	37.2	Very low	49	Very low	79 Å²	79	121.6 Å²	121.6	81%	0.814	66%	0.664	S	S	*	*			trans	77.9	146.7	-179.6	0	0	0	0	0	114.9
518	G	29.3	Very low	46.8	Very low	86 Å²	86	121.1 Å²	121.1	89%	0.887	68%	0.68	S	S	*	*			cis	-171	161.2	-6.6	0	0	0	0	0	110.7
519	G	26.8	Very low	44.4	Very low	87 Å²	87	123.7 Å²	123.7	90%	0.897	70%	0.703	S	S	*	*			trans	171.1	36.5	-175.9	0	0	0	0	0	117
520	A	39.8	Very low	42	Very low	99 Å²	99	124 Å²	124	82%	0.818	71%	0.714	S	S	*	*			trans	-98	139.3	177.3	0	0	0	0	0	111.8
521	K	30.3	Very low	39.6	Very low	194 Å²	194	129.9 Å²	129.9	84%	0.843	74%	0.74	S	S	*	*			trans	-137.7	113.6	164.7	-75	-167.3	176	-174.7	0	111.3
522	I	28	Very low	37.2	Very low	141 Å²	141	136.3 Å²	136.3	72%	0.723	76%	0.761	S	S	*	*				59	103.9	128	-61.4	159.1	0	0	0	115.8
523	F	25.5	Very low	35.5	Very low	169 Å²	169	134.2 Å²	134.2	74%	0.741	76%	0.763	S	S	*	*				62.2	137.8	87.9	-85.9	-95	0	0	0	113.7
524	Q	26.5	Very low	33.2	Very low	172 Å²	172	140.4 Å²	140.4	80%	0.804	79%	0.794	S	S	*	*			cis	-134.9	155.2	30.7	-64.8	178.8	-7.2	0	0	112.4
525	R	26.7	Very low	31.3	Very low	224 Å²	224	136.8 Å²	136.8	85%	0.845	79%	0.792	S	S	*	*				28.6	136.7	95.8	-61.1	178.5	172.9	172.6	-3.9	115.8
526	G	25.4	Very low	30.2	Very low	75 Å²	75	139.7 Å²	139.7	77%	0.773	81%	0.806	S	S	*	*			cis	129.9	124.5	-7.3	0	0	0	0	0	114.1
527	V	27.1	Very low	29.5	Very low	155 Å²	155	140 Å²	140	94%	0.939	80%	0.804	S	S	*	*			trans	-138.6	151.6	172.6	-176.3	0	0	0	0	108.9
528	A	28.1	Very low	29.5	Very low	97 Å²	97	141.3 Å²	141.3	80%	0.802	80%	0.801	S	S	*	*			trans	-135.4	146.4	-168.2	0	0	0	0	0	114.7
529	S	26.6	Very low	29.5	Very low	111 Å²	111	146.2 Å²	146.2	78%	0.776	80%	0.801	S	S	*	*			trans	-166.7	148.5	157.9	64	0	0	0	0	107.9
530	L	29.1	Very low	29.5	Very low	140 Å²	140	149.2 Å²	149.2	73%	0.733	80%	0.795	S	S	*	*			cis	-126.3	160.4	-10.6	-83.7	103	0	0	0	110.9
531	Q	27.4	Very low	28.8	Very low	175 Å²	175	155.3 Å²	155.3	82%	0.818	80%	0.799	S	S	*	*			trans	52.5	130.6	146.9	-69.2	167.1	-11.2	0	0	121.9
532	R	29.1	Very low	28.8	Very low	239 Å²	239	151.9 Å²	151.9	90%	0.902	80%	0.795	S	S	*	*			trans	-130.9	-173.8	167.3	-74.6	-176.1	166.5	-167.4	-2.3	105.6
533	P	40.8	Very low	29.2	Very low	103 Å²	103	151.3 Å²	151.3	67%	0.669	80%	0.8	S	S	*	*			cis	-148.3	-164.9	12.6	45.7	-24.5	0	0	0	116.9
534	I	28.2	Very low	29.4	Very low	142 Å²	142	150.2 Å²	150.2	73%	0.728	80%	0.802	S	S	*	*			trans	70.8	126.8	161.5	-65.5	165.7	0	0	0	114.9	I536	I534-I536 HydrophobicContact CG2-CD1 4.49Å
535	S	28	Very low	30.4	Very low	111 Å²	111	146.7 Å²	146.7	78%	0.776	79%	0.794	S	S	*	*			cis	99.1	163.2	24.2	-166.7	0	0	0	0	114.6
536	I	31.3	Very low	30.4	Very low	155 Å²	155	143.1 Å²	143.1	80%	0.795	79%	0.791	S	S	*	*			trans	107.4	146.8	169.1	-59.3	174.9	0	0	0	116.3	I534	I534-I536 HydrophobicContact CG2-CD1 4.49Å
537	K	28.6	Very low	30.8	Very low	186 Å²	186	144 Å²	144	81%	0.809	79%	0.791	S	S	*	*			trans	-91	155	-173.9	-56.8	174	176.7	174.5	0	112.2
538	S	37.2	Very low	30.6	Very low	106 Å²	106	143 Å²	143	74%	0.741	79%	0.789	S	S	*	*			trans	19.3	118	145	63.2	0	0	0	0	119.9
539	Q	28.6	Very low	30.8	Very low	190 Å²	190	145.3 Å²	145.3	89%	0.888	79%	0.789	S	S	*	*			trans	-153.1	178.8	140	-116.1	173.2	0.3	0	0	111.8
540	L	28.3	Very low	30.8	Very low	149 Å²	149	145.2 Å²	145.2	78%	0.78	79%	0.786	S	S	*	*			trans	-68	168.9	-167.4	-51.7	108	0	0	0	114.2
541	Y	23.1	Very low	30.7	Very low	228 Å²	228	144.7 Å²	144.7	89%	0.894	78%	0.784	S	S	*	*				-173.1	150.1	116.6	-109	-79.1	0	0	0	112.9
542	T	30.6	Very low	30.8	Very low	122 Å²	122	145 Å²	145	75%	0.748	78%	0.783	S	S	*	*			trans	-134.2	158.5	162.8	45	0	0	0	0	106.4
543	P	37.6	Very low	30.7	Very low	128 Å²	128	138.1 Å²	138.1	83%	0.831	77%	0.772	S	S	*	*			cis	-144.7	-159.4	34	41.6	-18.9	0	0	0	115.8
544	N	29.1	Very low	30.1	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	78%	0.779	S	S	*	*			trans	-75.6	177.8	169.3	-131.7	29.9	0	0	0	111.3
545	P	46.9	Very low	30	Very low	97 Å²	97	139.4 Å²	139.4	63%	0.63	78%	0.779	S	S	*	*			cis	-145.2	-164.2	42	43.1	-20.8	0	0	0	118.3
546	D	28.4	Very low	29.9	Very low	150 Å²	150	142 Å²	142	80%	0.802	78%	0.783	S	S	*	*			trans	76.4	139	172.2	-53.3	-17.8	0	0	0	116.9
547	A	32.8	Very low	31.5	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	78%	0.783	S	S	*	*			cis	165.1	158.2	-10.8	0	0	0	0	0	104.1
548	C	22.9	Very low	31.5	Very low	134 Å²	134	135.6 Å²	135.6	91%	0.905	78%	0.778	S	S	*	*			cis	-144.6	-142.1	17.9	-140.7	0	0	0	0	112.3
549	N	31.3	Very low	31.3	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	78%	0.779	S	S	*	*			trans	-136.3	178.6	-150.3	-164.5	21.4	0	0	0	117.8
550	C	26.6	Very low	31.4	Very low	108 Å²	108	134.6 Å²	134.6	73%	0.73	77%	0.769	S	S	*	*			trans	86.3	159.7	162.2	-58.6	0	0	0	0	120.3
551	D	28.1	Very low	31.5	Very low	130 Å²	130	138.4 Å²	138.4	70%	0.695	77%	0.773	S	S	*	*			cis	-172.4	176.8	-36.2	-158	-4.5	0	0	0	112.1
552	F	29.3	Very low	32.8	Very low	180 Å²	180	132.7 Å²	132.7	79%	0.789	76%	0.764	S	S	*	*			trans	84.3	-171.7	160.2	-71.2	-68.1	0	0	0	124.2
553	S	27.6	Very low	33	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	77%	0.766	S	S	*	*			trans	-132.4	177.3	-130.5	-59.4	0	0	0	0	119.3
554	D	27.6	Very low	32.9	Very low	152 Å²	152	132.6 Å²	132.6	81%	0.813	77%	0.765	S	S	*	*			trans	108.5	142	138.1	-82.6	-50.3	0	0	0	127.1
555	V	27	Very low	33.2	Very low	120 Å²	120	132 Å²	132	73%	0.727	77%	0.767	S	S	*	*			trans	69.3	107.4	146.5	174.4	0	0	0	0	126.4
556	L	26.2	Very low	32.4	Very low	166 Å²	166	139.1 Å²	139.1	87%	0.869	78%	0.781	S	S	*	*				35.3	166.2	129.1	-67.1	168.5	0	0	0	127.3
557	P	64.3	Low	32.5	Very low	121 Å²	121	137 Å²	137	79%	0.786	78%	0.778	S	S	*	*			trans	-139.3	-164.8	-154.1	48.2	-30.6	0	0	0	118.3
558	A	28.8	Very low	32.6	Very low	84 Å²	84	141 Å²	141	69%	0.694	78%	0.779	S	S	*	*			trans	-152.5	143.4	170.2	0	0	0	0	0	118.2
559	N	32.6	Very low	33.2	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	77%	0.766	S	S	*	*			trans	59.2	163.7	137.5	-63.6	-14.6	0	0	0	124.4
560	L	31.2	Very low	33.4	Very low	129 Å²	129	141 Å²	141	68%	0.675	76%	0.762	S	S	*	*			cis	-167.4	136.1	-30.9	-102.1	172.3	0	0	0	114
561	R	29.3	Very low	33.8	Very low	229 Å²	229	145.5 Å²	145.5	86%	0.864	77%	0.769	S	S	*	*			trans	46.6	169.4	138.7	-80.4	-170.6	-174.8	-168.6	2.8	124.8
562	P	51.7	Low	34	Very low	108 Å²	108	143.2 Å²	143.2	70%	0.701	76%	0.763	S	S	*	*			cis	-145.7	-164.3	-36.4	42.9	-23.7	0	0	0	117
563	S	33.4	Very low	34.1	Very low	112 Å²	112	143.6 Å²	143.6	78%	0.783	77%	0.765	S	S	*	*			trans	92.7	165.8	168	76.7	0	0	0	0	118.4
564	V	35.7	Very low	34.3	Very low	136 Å²	136	147.1 Å²	147.1	82%	0.824	77%	0.769	S	S	*	*			cis	-140.2	-168.6	7.4	-142.9	0	0	0	0	112.7
565	V	34.7	Very low	34.5	Very low	134 Å²	134	144.6 Å²	144.6	81%	0.812	76%	0.763	S	S	*	*			trans	-152.6	137.6	-167.7	177.3	0	0	0	0	116.5
566	R	31.2	Very low	34.7	Very low	248 Å²	248	147.5 Å²	147.5	94%	0.936	77%	0.766	S	S	*	*			trans	-173.7	-175.3	146	-111.8	170.2	177.2	150.8	2.6	116.5
567	S	30.7	Very low	35	Very low	105 Å²	105	148.8 Å²	148.8	73%	0.734	76%	0.764	S	S	*	*			trans	-167	167.3	-165.2	175.3	0	0	0	0	114
568	F	33.6	Very low	33.3	Very low	177 Å²	177	151.1 Å²	151.1	78%	0.776	76%	0.762	S	S	*	*			trans	-179.8	150.8	144	-101.8	-57.6	0	0	0	119.8
569	N	36.3	Very low	33.3	Very low	120 Å²	120	155.8 Å²	155.8	64%	0.642	77%	0.767	S	S	*	*			trans	77.4	178.4	152.3	-63.3	-27	0	0	0	122.4
570	K	36.8	Very low	33.2	Very low	160 Å²	160	157.7 Å²	157.7	70%	0.696	77%	0.768	S	S	*	*				-162.3	127.4	-84.8	-93.6	160.5	-162.4	151.1	0	116.2
571	K	34	Very low	33	Very low	203 Å²	203	156.9 Å²	156.9	88%	0.883	77%	0.769	S	S	*	*			trans	58.3	164.9	139.7	-67.2	-172.4	178.5	-175.4	0	123
572	S	31.9	Very low	32.9	Very low	82 Å²	82	153 Å²	153	57%	0.573	76%	0.764	S	S	*	*			cis	177	149	-27	178	0	0	0	0	113.1
573	F	32.2	Very low	31.8	Very low	187 Å²	187	156.5 Å²	156.5	82%	0.82	77%	0.769	S	S	*	*				162.7	178.4	129.8	-98.4	-83.6	0	0	0	118.2
574	F	31.4	Very low	31.4	Very low	171 Å²	171	156.6 Å²	156.6	75%	0.75	77%	0.769	S	S	*	*			trans	-96.9	-177.3	-159.5	-79.3	-106.2	0	0	0	114.6
575	S	31	Very low	30.9	Very low	99 Å²	99	159.1 Å²	159.1	69%	0.692	77%	0.77	S	S	*	*			cis	-166	179.9	33	-159.9	0	0	0	0	117.4
576	K	31.3	Very low	30.5	Very low	181 Å²	181	157.6 Å²	157.6	79%	0.787	77%	0.765	S	S	*	*			trans	-47.1	176	177.4	-57.9	145.9	-174.5	170.7	0	116.2
577	K	33.3	Very low	30.2	Very low	193 Å²	193	156.6 Å²	156.6	84%	0.839	76%	0.761	S	S	*	*			cis	-156.6	-176.1	10.1	-131.2	174.7	-174.8	178.7	0	106.2
578	K	28.9	Very low	30.2	Very low	170 Å²	170	159 Å²	159	74%	0.739	77%	0.765	S	S	*	*			cis	-103.9	-139.9	0.9	-67	178.5	171	176.7	0	109.4
579	F	28.4	Very low	29.9	Very low	181 Å²	181	161.9 Å²	161.9	79%	0.794	77%	0.771	S	S	*	*			cis	-153.2	-155	-1.3	-130.7	-46.5	0	0	0	110.4
580	K	29.8	Very low	29.4	Very low	186 Å²	186	166.3 Å²	166.3	81%	0.809	78%	0.781	S	S	*	*			trans	-136.1	179.1	177.3	-64.4	-171.5	176.7	-179	0	109.4
581	T	27.4	Very low	28.8	Very low	113 Å²	113	163.3 Å²	163.3	69%	0.693	78%	0.78	S	S	*	*			cis	-160.3	160.8	3.9	-7.3	0	0	0	0	105.8
582	L	28.5	Very low	28.4	Very low	146 Å²	146	165.4 Å²	165.4	76%	0.764	78%	0.782	S	S	*	*			cis	72.7	130.5	19.7	-61.5	-178.5	0	0	0	114.7
583	K	27.1	Very low	28	Very low	183 Å²	183	166.1 Å²	166.1	80%	0.796	79%	0.787	S	S	*	*			cis	-138.7	173.8	-12.1	-81	169.2	175.9	176.8	0	105.7
584	S	25.6	Very low	27.8	Very low	114 Å²	114	164.6 Å²	164.6	80%	0.797	79%	0.787	S	S	*	*				173.4	-168.4	54.8	41.5	0	0	0	0	108.5
585	F	25.8	Very low	27.4	Very low	189 Å²	189	160.3 Å²	160.3	83%	0.829	78%	0.778	S	S	*	*				-169.1	129.3	-62.9	-154.8	-84.9	0	0	0	109.5
586	S	24.9	Very low	27.2	Very low	102 Å²	102	163.3 Å²	163.3	71%	0.713	78%	0.781	S	S	*	*			trans	66.2	169.3	177.1	84.6	0	0	0	0	116.6
587	R	26.5	Very low	26.9	Very low	227 Å²	227	162.4 Å²	162.4	86%	0.857	78%	0.784	S	S	*	*			cis	-154.4	164.8	14	-144.8	167.7	-166.9	176	3.7	111.4
588	N	28.8	Very low	26.8	Very low	154 Å²	154	162 Å²	162	82%	0.824	79%	0.785	S	S	*	*			trans	-89.1	144.4	171.6	-63.6	-10.3	0	0	0	112.3
589	R	29.1	Very low	26.5	Very low	239 Å²	239	157.3 Å²	157.3	90%	0.902	78%	0.784	S	S	*	*				-170.5	-177.1	128.8	-112.8	-176.7	-97	-157.9	-1.8	114.4
590	Y	24.1	Very low	26.4	Very low	213 Å²	213	159.7 Å²	159.7	84%	0.835	79%	0.789	S	S	*	*			trans	-104.1	158.4	-149.6	-85.3	-107.2	0	0	0	117.3
591	S	24.1	Very low	27.2	Very low	97 Å²	97	156.9 Å²	156.9	68%	0.678	79%	0.79	S	S	*	*			trans	73.7	141.1	132.9	65.3	0	0	0	0	125
592	R	26.5	Very low	27.3	Very low	247 Å²	247	154.2 Å²	154.2	93%	0.932	79%	0.786	S	S	*	*			trans	71	150.6	153.5	-77.6	177.9	-178.5	-168.4	-0	116.7
593	S	24.1	Very low	27.4	Very low	96 Å²	96	154.8 Å²	154.8	67%	0.671	79%	0.789	S	S	*	*			cis	-167.5	162.9	-14.9	-164	0	0	0	0	109.9
594	L	26.3	Very low	27.7	Very low	156 Å²	156	154.6 Å²	154.6	82%	0.817	79%	0.791	S	S	*	*			trans	68.9	171	167.4	-54.3	-176.6	0	0	0	116.1
595	S	24.5	Very low	27.8	Very low	80 Å²	80	153.5 Å²	153.5	56%	0.559	78%	0.783	S	S	*	*			cis	-179.1	170.6	-30.8	-81.7	0	0	0	0	108.5
596	E	26.7	Very low	27.9	Very low	162 Å²	162	151.7 Å²	151.7	76%	0.757	78%	0.782	S	S	*	*			cis	-164.7	-141.6	-19	-100.9	168.2	68	0	0	109.1
597	L	24.4	Very low	28.1	Very low	162 Å²	162	153.4 Å²	153.4	85%	0.848	79%	0.788	S	S	*	*			trans	75.6	146.4	-178.3	-82.6	79.8	0	0	0	117.8
598	H	30.6	Very low	28.1	Very low	186 Å²	186	146.1 Å²	146.1	86%	0.861	78%	0.783	S	S	*	*			cis	-170.3	153.1	-34	-129.6	64	0	0	0	109.4
599	G	22.8	Very low	27.9	Very low	71 Å²	71	142.6 Å²	142.6	73%	0.732	78%	0.783	S	S	*	*			trans	155	125.6	168.6	0	0	0	0	0	117.4
600	Y	27	Very low	27.8	Very low	230 Å²	230	136.2 Å²	136.2	90%	0.902	78%	0.781	S	S	*	*			trans	-129.5	-178.1	175.1	-96.4	-71	0	0	0	108.6
601	P	47.1	Very low	27.9	Very low	127 Å²	127	129.5 Å²	129.5	83%	0.825	78%	0.777	S	S	*	*			cis	-131.3	-173.2	17.5	40.7	-20.9	0	0	0	114.9
602	G	27.8	Very low	28.1	Very low	58 Å²	58	132.8 Å²	132.8	60%	0.598	78%	0.781	S	S	*	*			cis	163.6	170.3	-11.1	0	0	0	0	0	114
603	N	32.3	Very low	28.1	Very low	158 Å²	158	129.1 Å²	129.1	85%	0.845	78%	0.78	S	S	*	*			trans	58.1	144.9	168.1	-66	-3.4	0	0	0	119.9
604	Q	32.4	Very low	28.3	Very low	178 Å²	178	132.2 Å²	132.2	83%	0.832	78%	0.784	S	S	*	*			cis	-139.9	-149.9	0.2	-133.1	-173	19	0	0	109.3
605	S	27.5	Very low	29.2	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	78%	0.775	S	S	*	*			cis	-151.3	-167.6	8.5	72.1	0	0	0	0	111.4
606	L	28.5	Very low	29.3	Very low	152 Å²	152	133.6 Å²	133.6	80%	0.796	79%	0.786	S	S	*	*			trans	-120.2	-169.9	161.9	-64.7	88.2	0	0	0	108.3
607	V	28.5	Very low	29.3	Very low	138 Å²	138	132.9 Å²	132.9	84%	0.836	79%	0.787	S	S	*	*			cis	-152.7	160.9	10.8	-165	0	0	0	0	106.4
608	G	26.1	Very low	29.5	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	79%	0.788	S	S	*	*			cis	134	113.6	-5.9	0	0	0	0	0	113
609	G	26	Very low	29.3	Very low	80 Å²	80	133.7 Å²	133.7	83%	0.825	79%	0.785	S	S	*	*			trans	173.2	162	178.4	0	0	0	0	0	116.1
610	A	26.6	Very low	29.6	Very low	105 Å²	105	135 Å²	135	87%	0.868	78%	0.783	S	S	*	*			trans	-65.4	167.7	178	0	0	0	0	0	113
611	G	26.9	Very low	29.5	Very low	72 Å²	72	127.6 Å²	127.6	74%	0.742	78%	0.776	S	S	*	*			cis	140.2	174.7	10.5	0	0	0	0	0	108.6
612	Q	27.3	Very low	29.2	Very low	166 Å²	166	131.3 Å²	131.3	78%	0.776	79%	0.785	S	S	*	*			cis	-151.4	166.9	-6.4	-69.5	176.7	-119.2	0	0	107.9
613	N	26.6	Very low	29.1	Very low	170 Å²	170	131.6 Å²	131.6	91%	0.909	79%	0.788	S	S	*	*			trans	-167.9	127.9	144.3	-103.6	-11	0	0	0	111.2
614	E	28.8	Very low	29.4	Very low	161 Å²	161	128 Å²	128	75%	0.752	79%	0.788	S	S	*	*			trans	-109.5	-174.3	-176.6	-74.6	-74	156.7	0	0	108.9
615	P	44.3	Very low	29.3	Very low	97 Å²	97	126.2 Å²	126.2	63%	0.63	79%	0.789	S	S	*	*			cis	-137.3	-171.1	2.7	39.2	-17.8	0	0	0	115.8
616	E	27.4	Very low	29.4	Very low	168 Å²	168	127.8 Å²	127.8	79%	0.785	80%	0.795	S	S	*	*			trans	74.9	134.1	155.8	-60.1	-179.4	-156.6	0	0	121
617	D	27.4	Very low	30	Very low	147 Å²	147	128.8 Å²	128.8	79%	0.786	80%	0.801	S	S	*	*			cis	-163	173.5	-33.2	-134.7	-44.7	0	0	0	112.9
618	E	28.3	Very low	30.1	Very low	184 Å²	184	126.2 Å²	126.2	86%	0.86	80%	0.795	S	S	*	*			trans	70.7	171.6	153.7	-107	-166.5	159.5	0	0	121.9
619	F	25.4	Very low	30.8	Very low	182 Å²	182	129 Å²	129	80%	0.798	80%	0.799	S	S	*	*			trans	-153.1	155.2	-142.5	159	-97.6	0	0	0	113.3
620	S	28.9	Very low	31.1	Very low	98 Å²	98	129.5 Å²	129.5	69%	0.685	80%	0.796	S	S	*	*			trans	67	157.9	175.2	-83.1	0	0	0	0	117.5
621	G	26.4	Very low	31.7	Very low	74 Å²	74	130.1 Å²	130.1	76%	0.763	79%	0.791	S	S	*	*			trans	149.9	63.7	179.5	0	0	0	0	0	114.9	G623	G621-G623 VanDerWaalsContact C-N 3.35Å; G621-G623 PolarHBondContact O-N 2.83Å
622	M	40.8	Very low	33	Very low	205 Å²	205	132 Å²	132	100%	1.01	79%	0.793	S	S	*	*			trans	-75.1	91	164.4	-173.3	-179.4	178.2	0	0	109.3
623	G	24.6	Very low	34.3	Very low	65 Å²	65	127.9 Å²	127.9	67%	0.67	78%	0.782	S	S	*	*			trans	-113.3	123.7	177.5	0	0	0	0	0	112.4	G621	G621-G623 VanDerWaalsContact C-N 3.35Å; G621-G623 PolarHBondContact O-N 2.83Å
624	G	39.5	Very low	35.5	Very low	81 Å²	81	122 Å²	122	84%	0.835	76%	0.757	S	S	*	*			trans	-76.5	138.2	168.8	0	0	0	0	0	111
625	V	30.5	Very low	37.3	Very low	142 Å²	142	118.9 Å²	118.9	86%	0.861	75%	0.749	S	S	*	*			trans	-101.3	122.6	174.1	-178.1	0	0	0	0	109.7
626	T	29.3	Very low	38.1	Very low	123 Å²	123	123.9 Å²	123.9	76%	0.755	76%	0.756	S	S	*	*			trans	-45.5	146.2	-179.3	39.5	0	0	0	0	116.2
627	D	40.3	Very low	39.9	Very low	173 Å²	173	119.8 Å²	119.8	93%	0.925	74%	0.742	S	S	*	*			trans	-62.8	137	158.1	-85.6	-61	0	0	0	110.6
628	A	31.4	Very low	42.1	Very low	85 Å²	85	113.5 Å²	113.5	70%	0.702	71%	0.709	S	S	*	*			trans	-139.6	144.9	165	0	0	0	0	0	109.3
629	P	39.4	Very low	44	Very low	130 Å²	130	110.2 Å²	110.2	84%	0.844	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-72.7	134.8	-157.3	-20.6	34.3	0	0	0	114.1
630	A	32.7	Very low	46.4	Very low	92 Å²	92	106.4 Å²	106.4	76%	0.76	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-74.2	130.4	170.4	0	0	0	0	0	110.7	S632	A630-S632 PolarHBondContact O-N 3.24Å
631	P	39.3	Very low	48.9	Very low	117 Å²	117	102.3 Å²	102.3	76%	0.76	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-63	131.8	167.7	26.4	-32.4	0	0	0	109.5
632	S	54.6	Low	51.6	Low	111 Å²	111	100 Å²	100	78%	0.776	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	151.6	-175.8	52.2	0	0	0	0	112.2	A630	A630-S632 PolarHBondContact O-N 3.24Å
633	S	54.6	Low	53.5	Low	80 Å²	80	93.4 Å²	93.4	56%	0.559	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	97	7.3	176.6	80.4	0	0	0	0	119.7	S645	S633-S645 VanDerWaalsContact OG-CB 3.24Å; S633-S645 WeakPolarHBondContact OG-CB 3.34Å; S633-S645 PolarHBondContact OG-OG 3.34Å
634	A	51.8	Low	56.2	Low	47 Å²	47	93 Å²	93	39%	0.388	57%	0.567	S	S	.	*			trans	-93.3	122.4	168.4	0	0	0	0	0	112.8	I643 L644	A634-I643 CarbonylContact C-O 3.57Å; A634-I643 WeakPolarHBondContact CA-O 3.21Å; A634-L644 HydrophobicContact CB-CD2 3.89Å
635	V	66.7	Low	57.6	Low	96 Å²	96	93.5 Å²	93.5	58%	0.582	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.4	112.6	174.5	-179.2	0	0	0	0	109.4	V637 S642 I643	V635-V637 HydrophobicContact CG1-CG2 4.18Å; V635-V637 PolarHBondContact O-N 2.9Å; V635-S642 CarbonylContact O-C 3.58Å; V635-S642 VanDerWaalsContact O-CA 3.26Å; V635-S642 WeakPolarHBondContact O-CA 3.41Å; V635-I643 PolarHBondContact N-O 2.84Å; V635-I643 PolarHBondContact O-N 3.04Å
636	R	61.8	Low	59.8	Low	202 Å²	202	92.3 Å²	92.3	76%	0.762	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	115.8	171.7	-60.9	-178.4	81.4	160.9	4.1	108.7
637	V	64.8	Low	61.6	Low	82 Å²	82	90.3 Å²	90.3	50%	0.497	54%	0.543	S	S	.	.			trans	-99.7	-31.7	-178	177	0	0	0	0	111.4	V635 C641 I643	V635-V637 HydrophobicContact CG1-CG2 4.18Å; V635-V637 PolarHBondContact O-N 2.9Å; V637-C641 PolarHBondContact N-O 2.95Å; V637-I643 HydrophobicContact CG2-CD1 3.74Å; V637-I643 HydrophobicContact CG2-CG1 3.8Å
638	T	72.3	Confident	63.2	Low	14 Å²	14	84.5 Å²	84.5	9%	0.086	52%	0.516	C	S	.	.	S	Bend	trans	-134.4	174.3	166	68.3	0	0	0	0	110.5	R640 C641 H665 I669	T638-R640 PolarHBondContact O-N 2.98Å; T638-R640 PolarHBondContact OG1-N 3.02Å; T638-C641 PolarHBondContact N-O 2.98Å; T638-C641 PolarHBondContact O-N 2.82Å; T638-C641 WeakPolarHBondContact OG1-CB 3.27Å; T638-C641 PolarHBondContact OG1-N 2.94Å; T638-H665 PolarHBondContact OG1-CE1 2.87Å; T638-H665 PolarHBondContact OG1-NE2 2.92Å; T638-I669 HydrophobicContact CG2-CD1 4.19Å; T638-I669 HydrophobicContact CG2-CG1 3.73Å
639	H	69.9	Low	65.7	Low	116 Å²	116	84.8 Å²	84.8	54%	0.537	51%	0.509	S	S	.	.	S	Bend	trans	-59.7	-15	174.3	72.3	-82.9	0	0	0	114.2	H665	H639-H665 AromaticContact CE1-CE1 3.19Å; H639-H665 PolarHBondContact CE1-CE1 3.39Å; H639-H665 AromaticContact ND1-CE1 3.42Å; H639-H665 PolarHBondContact ND1-CE1 3.3Å; H639-H665 AromaticContact NE2-CE1 3.75Å
640	R	74.3	Confident	67.6	Low	101 Å²	101	85.4 Å²	85.4	38%	0.381	50%	0.498	S	S	.	.	S	Bend	trans	-123.4	-10	178.4	-59	-170.3	-171.9	-122.5	6.9	116.1	T638 C651 D652 V655	T638-R640 PolarHBondContact O-N 2.98Å; T638-R640 PolarHBondContact OG1-N 3.02Å; R640-C651 CarbonylContact O-C 3.58Å; R640-C651 VanDerWaalsContact O-CA 3.23Å; R640-C651 WeakPolarHBondContact O-CA 3.32Å; R640-D652 HydrophobicContact CB-CB 3.96Å; R640-D652 HydrophobicContact CG-CB 4.36Å; R640-D652 IonicContact CZ-OD2 3.87Å; R640-D652 IonicContact NH1-OD2 2.87Å; R640-D652 PolarHBondContact NH1-OD2 3.23Å; R640-D652 PolarHBondContact O-N 2.86Å; R640-V655 HydrophobicContact CB-CG2 4.18Å
641	C	82.3	Confident	70.1	Confident	12 Å²	12	82.1 Å²	82.1	8%	0.081	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.6	-176.3	-62.6	0	0	0	0	112	V637 T638 K650 C651 H665	V637-C641 PolarHBondContact N-O 2.95Å; T638-C641 PolarHBondContact N-O 2.98Å; T638-C641 PolarHBondContact O-N 2.82Å; T638-C641 WeakPolarHBondContact OG1-CB 3.27Å; T638-C641 PolarHBondContact OG1-N 2.94Å; C641-K650 WeakPolarHBondContact CA-O 3.42Å; C641-C651 HydrophobicContact CB-CB 4.13Å; C641-C651 WeakPolarHBondContact CB-SG 3.36Å; C641-C651 WeakPolarHBondContact SG-CB 3.45Å; C641-C651 CovalentContact SG-SG 2.04Å; C641-C651 PolarHBondContact SG-SG 3.21Å; C641-H665 PolarHBondContact SG-NE2 2.92Å
642	S	82.2	Confident	72.2	Confident	25 Å²	25	78.7 Å²	78.7	18%	0.175	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.3	173.5	53.9	0	0	0	0	111.4	V635 V649 K650	V635-S642 CarbonylContact O-C 3.58Å; V635-S642 VanDerWaalsContact O-CA 3.26Å; V635-S642 WeakPolarHBondContact O-CA 3.41Å; S642-V649 WeakPolarHBondContact O-CA 3.22Å; S642-K650 PolarHBondContact N-O 3.27Å; S642-K650 PolarHBondContact O-N 2.73Å; S642-K650 PolarHBondContact OG-O 2.71Å
643	I	82.3	Confident	73.2	Confident	68 Å²	68	78 Å²	78	35%	0.349	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.4	168	-59.7	179.3	0	0	0	106.9	A634 V635 V637 V649	A634-I643 CarbonylContact C-O 3.57Å; A634-I643 WeakPolarHBondContact CA-O 3.21Å; V635-I643 PolarHBondContact N-O 2.84Å; V635-I643 PolarHBondContact O-N 3.04Å; V637-I643 HydrophobicContact CG2-CD1 3.74Å; V637-I643 HydrophobicContact CG2-CG1 3.8Å; I643-V649 HydrophobicContact CG1-CG2 4.38Å
644	L	80.3	Confident	74.1	Confident	55 Å²	55	82.5 Å²	82.5	29%	0.288	44%	0.44	S	S	.	.			trans	-81	161.5	174.6	-59.1	-178.4	0	0	0	110.2	A634 N646 A647 S648 K650	A634-L644 HydrophobicContact CB-CD2 3.89Å; L644-N646 WeakPolarHBondContact CB-OD1 3.4Å; L644-N646 PolarHBondContact O-N 3.4Å; L644-N646 VanDerWaalsContact O-N 3.13Å; L644-A647 WeakPolarHBondContact O-CA 3.33Å; L644-A647 PolarHBondContact O-N 3.34Å; L644-S648 PolarHBondContact N-O 2.77Å; L644-K650 HydrophobicContact CD1-CB 4.24Å; L644-K650 HydrophobicContact CD1-CD 4.49Å; L644-K650 HydrophobicContact CG-CB 4.34Å
645	S	69.6	Low	75.3	Confident	93 Å²	93	80.7 Å²	80.7	65%	0.65	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.5	-177.8	36.6	0	0	0	0	114.7	S633 A647	S633-S645 VanDerWaalsContact OG-CB 3.24Å; S633-S645 WeakPolarHBondContact OG-CB 3.34Å; S633-S645 PolarHBondContact OG-OG 3.34Å; S645-A647 PolarHBondContact O-N 3.32Å
646	N	75.6	Confident	75.9	Confident	116 Å²	116	82.4 Å²	82.4	62%	0.62	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	15.9	168.7	69.2	-2	0	0	0	114	L644 S648	L644-N646 WeakPolarHBondContact CB-OD1 3.4Å; L644-N646 PolarHBondContact O-N 3.4Å; L644-N646 VanDerWaalsContact O-N 3.13Å; N646-S648 PolarHBondContact O-N 2.83Å; N646-S648 VanDerWaalsContact O-N 3.09Å; N646-S648 WeakPolarHBondContact OD1-CB 3.43Å; N646-S648 PolarHBondContact OD1-N 2.69Å; N646-S648 VanDerWaalsContact OD1-N 3.12Å; N646-S648 PolarHBondContact OD1-OG 2.92Å
647	A	68.3	Low	76.6	Confident	81 Å²	81	81 Å²	81	67%	0.669	42%	0.421	S	S	*	.	S	Bend	trans	60.3	7.5	-175.2	0	0	0	0	0	116.2	L644 S645	L644-A647 WeakPolarHBondContact O-CA 3.33Å; L644-A647 PolarHBondContact O-N 3.34Å; S645-A647 PolarHBondContact O-N 3.32Å
648	S	73	Confident	77.4	Confident	52 Å²	52	79.9 Å²	79.9	36%	0.364	42%	0.417	S	S	.	.			trans	-79	149.3	172.8	75.7	0	0	0	0	111.7	L644 N646	L644-S648 PolarHBondContact N-O 2.77Å; N646-S648 PolarHBondContact O-N 2.83Å; N646-S648 VanDerWaalsContact O-N 3.09Å; N646-S648 WeakPolarHBondContact OD1-CB 3.43Å; N646-S648 PolarHBondContact OD1-N 2.69Å; N646-S648 VanDerWaalsContact OD1-N 3.12Å; N646-S648 PolarHBondContact OD1-OG 2.92Å
649	V	83.4	Confident	77.3	Confident	91 Å²	91	84.8 Å²	84.8	55%	0.552	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	119	-177	-173	0	0	0	0	109.5	S642 I643	S642-V649 WeakPolarHBondContact O-CA 3.22Å; I643-V649 HydrophobicContact CG1-CG2 4.38Å
650	K	79.4	Confident	77.4	Confident	142 Å²	142	84 Å²	84	62%	0.617	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.3	174.4	-169.4	173	-177.8	176.2	0	109.5	C641 S642 L644	C641-K650 WeakPolarHBondContact CA-O 3.42Å; S642-K650 PolarHBondContact N-O 3.27Å; S642-K650 PolarHBondContact O-N 2.73Å; S642-K650 PolarHBondContact OG-O 2.71Å; L644-K650 HydrophobicContact CD1-CB 4.24Å; L644-K650 HydrophobicContact CD1-CD 4.49Å; L644-K650 HydrophobicContact CG-CB 4.34Å
651	C	85.7	Confident	77.4	Confident	23 Å²	23	81 Å²	81	16%	0.155	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.6	174.5	-62.5	0	0	0	0	111.8	R640 C641 T653 Y656	R640-C651 CarbonylContact O-C 3.58Å; R640-C651 VanDerWaalsContact O-CA 3.23Å; R640-C651 WeakPolarHBondContact O-CA 3.32Å; C641-C651 HydrophobicContact CB-CB 4.13Å; C641-C651 WeakPolarHBondContact CB-SG 3.36Å; C641-C651 WeakPolarHBondContact SG-CB 3.45Å; C641-C651 CovalentContact SG-SG 2.04Å; C641-C651 PolarHBondContact SG-SG 3.21Å; C651-T653 PolarHBondContact O-N 3.37Å; C651-Y656 HydrophobicContact CB-CE2 3.81Å
652	D	83.4	Confident	77.6	Confident	46 Å²	46	85.8 Å²	85.8	25%	0.246	45%	0.452	C	S	.	.			trans	-47.8	127.5	165.8	171.6	12.2	0	0	0	110.9	R640 R654 V655	R640-D652 HydrophobicContact CB-CB 3.96Å; R640-D652 HydrophobicContact CG-CB 4.36Å; R640-D652 IonicContact CZ-OD2 3.87Å; R640-D652 IonicContact NH1-OD2 2.87Å; R640-D652 PolarHBondContact NH1-OD2 3.23Å; R640-D652 PolarHBondContact O-N 2.86Å; D652-R654 PolarHBondContact O-N 3.49Å; D652-R654 VanDerWaalsContact O-N 3.12Å; D652-R654 WeakPolarHBondContact OD1-CB 3.37Å; D652-R654 VanDerWaalsContact OD1-CG 3.24Å; D652-R654 WeakPolarHBondContact OD1-CG 3.47Å; D652-R654 PolarHBondContact OD1-N 2.96Å; D652-R654 WeakPolarHBondContact OD2-CB 3.43Å; D652-V655 HydrophobicContact CB-CG2 4.27Å; D652-V655 WeakPolarHBondContact O-CB 3.31Å; D652-V655 WeakPolarHBondContact O-CG2 3.39Å; D652-V655 PolarHBondContact O-N 2.93Å
653	T	75.1	Confident	77.3	Confident	96 Å²	96	89.3 Å²	89.3	59%	0.589	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-60.3	-25.3	-178.7	57.3	0	0	0	0	112.4	C651 V655 Y656 K657	C651-T653 PolarHBondContact O-N 3.37Å; T653-V655 PolarHBondContact O-N 2.96Å; T653-Y656 PolarHBondContact O-N 3.18Å; T653-K657 PolarHBondContact O-N 3.1Å; T653-K657 VanDerWaalsContact O-N 3.17Å
654	R	74.1	Confident	77.2	Confident	174 Å²	174	90.1 Å²	90.1	66%	0.657	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.1	174.5	-57.8	173.6	-171	-143.7	4.4	112.9	D652 Y656	D652-R654 PolarHBondContact O-N 3.49Å; D652-R654 VanDerWaalsContact O-N 3.12Å; D652-R654 WeakPolarHBondContact OD1-CB 3.37Å; D652-R654 VanDerWaalsContact OD1-CG 3.24Å; D652-R654 WeakPolarHBondContact OD1-CG 3.47Å; D652-R654 PolarHBondContact OD1-N 2.96Å; D652-R654 WeakPolarHBondContact OD2-CB 3.43Å; R654-Y656 VanDerWaalsContact C-N 3.31Å
655	V	77.6	Confident	77.3	Confident	9 Å²	9	88.4 Å²	88.4	6%	0.055	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-67.6	-32.4	174.6	-179.3	0	0	0	0	111.4	R640 D652 T653 W662 H665	R640-V655 HydrophobicContact CB-CG2 4.18Å; D652-V655 HydrophobicContact CB-CG2 4.27Å; D652-V655 WeakPolarHBondContact O-CB 3.31Å; D652-V655 WeakPolarHBondContact O-CG2 3.39Å; D652-V655 PolarHBondContact O-N 2.93Å; T653-V655 PolarHBondContact O-N 2.96Å; V655-W662 WeakPolarHBondContact O-CA 3.32Å; V655-W662 WeakPolarHBondContact O-CB 3.43Å; V655-W662 PolarHBondContact O-N 3.44Å; V655-H665 HydrophobicContact CG1-CB 3.93Å
656	Y	78.6	Confident	78	Confident	132 Å²	132	88.2 Å²	88.2	52%	0.518	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-13.9	-178.8	-56.2	-68.8	0	0	0	113.8	C651 T653 R654 S658 W662	C651-Y656 HydrophobicContact CB-CE2 3.81Å; T653-Y656 PolarHBondContact O-N 3.18Å; R654-Y656 VanDerWaalsContact C-N 3.31Å; Y656-S658 PolarHBondContact O-N 3.42Å; Y656-W662 AromaticContact CD1-CD1 3.93Å; Y656-W662 AromaticContact CE1-CD1 3.96Å
657	K	75.9	Confident	78.2	Confident	173 Å²	173	88.5 Å²	88.5	75%	0.752	45%	0.448	S	S	*	.	S	Bend	trans	-66.1	-12.2	178.9	-75.9	-166.4	177.9	-164.1	0	114.8	T653	T653-K657 PolarHBondContact O-N 3.1Å; T653-K657 VanDerWaalsContact O-N 3.17Å
658	S	83.4	Confident	78.8	Confident	59 Å²	59	88.7 Å²	88.7	41%	0.413	44%	0.435	S	S	.	.			trans	-150	136.4	175.1	171.8	0	0	0	0	111.4	Y656 Q660 A661 W662	Y656-S658 PolarHBondContact O-N 3.42Å; S658-Q660 PolarHBondContact O-N 3.02Å; S658-Q660 PolarHBondContact OG-N 3.4Å; S658-A661 PolarHBondContact O-N 3.46Å; S658-W662 PolarHBondContact O-N 3.17Å
659	L	69.4	Low	79.3	Confident	117 Å²	117	88.5 Å²	88.5	61%	0.613	43%	0.429	S	S	*	.	H	α-helix	trans	-57.7	-29.1	174.1	-179.8	61.3	0	0	0	112.3	K663	L659-K663 HydrophobicContact CG-CD 4.49Å; L659-K663 WeakPolarHBondContact O-CD 3.49Å; L659-K663 VanDerWaalsContact O-CG 3.24Å; L659-K663 WeakPolarHBondContact O-CG 3.42Å; L659-K663 PolarHBondContact O-N 2.83Å
660	Q	71	Confident	78.9	Confident	99 Å²	99	87.7 Å²	87.7	46%	0.463	42%	0.422	S	S	.	.	H	α-helix	trans	-75.4	-47.6	176.6	-171.8	54.6	38.2	0	0	111.2	S658 W662 K663 D664	S658-Q660 PolarHBondContact O-N 3.02Å; S658-Q660 PolarHBondContact OG-N 3.4Å; Q660-W662 VanDerWaalsContact C-N 3.26Å; Q660-W662 PolarHBondContact O-N 2.81Å; Q660-K663 WeakPolarHBondContact O-CB 3.26Å; Q660-K663 PolarHBondContact O-N 3.07Å; Q660-K663 VanDerWaalsContact O-N 3.09Å; Q660-D664 PolarHBondContact NE2-OD1 3.19Å; Q660-D664 PolarHBondContact NE2-OD2 3.35Å; Q660-D664 PolarHBondContact O-N 2.99Å
661	A	74.9	Confident	78.8	Confident	39 Å²	39	86.4 Å²	86.4	32%	0.322	42%	0.418	S	S	.	.	H	α-helix	trans	-58.3	-37.7	175.9	0	0	0	0	0	112.4	S658 H665	S658-A661 PolarHBondContact O-N 3.46Å; A661-H665 WeakPolarHBondContact O-CB 3.17Å; A661-H665 PolarHBondContact O-N 2.76Å
662	W	85.8	Confident	78.5	Confident	111 Å²	111	89 Å²	89	42%	0.42	43%	0.427	S	S	.	.	H	α-helix	trans	-64.5	-46.6	173.4	-178.1	86.5	0	0	0	112.5	V655 Y656 S658 Q660 D664 K666	V655-W662 WeakPolarHBondContact O-CA 3.32Å; V655-W662 WeakPolarHBondContact O-CB 3.43Å; V655-W662 PolarHBondContact O-N 3.44Å; Y656-W662 AromaticContact CD1-CD1 3.93Å; Y656-W662 AromaticContact CE1-CD1 3.96Å; S658-W662 PolarHBondContact O-N 3.17Å; Q660-W662 VanDerWaalsContact C-N 3.26Å; Q660-W662 PolarHBondContact O-N 2.81Å; W662-D664 PolarHBondContact O-N 3.49Å; W662-K666 HydrophobicContact CH2-CD 3.81Å; W662-K666 HydrophobicContact CZ2-CD 4.19Å; W662-K666 HydrophobicContact CZ3-CD 4.2Å; W662-K666 WeakPolarHBondContact O-CB 3.31Å; W662-K666 PolarHBondContact O-N 3.06Å
663	K	75.9	Confident	78.5	Confident	100 Å²	100	90.6 Å²	90.6	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-60	-46	177.4	-77.6	169.4	-176.9	172.5	0	111.6	L659 Q660 K666 L667	L659-K663 HydrophobicContact CG-CD 4.49Å; L659-K663 WeakPolarHBondContact O-CD 3.49Å; L659-K663 VanDerWaalsContact O-CG 3.24Å; L659-K663 WeakPolarHBondContact O-CG 3.42Å; L659-K663 PolarHBondContact O-N 2.83Å; Q660-K663 WeakPolarHBondContact O-CB 3.26Å; Q660-K663 PolarHBondContact O-N 3.07Å; Q660-K663 VanDerWaalsContact O-N 3.09Å; K663-K666 PolarHBondContact O-N 3.4Å; K663-L667 WeakPolarHBondContact O-CB 3.33Å; K663-L667 PolarHBondContact O-N 2.67Å
664	D	80.3	Confident	78.5	Confident	85 Å²	85	91.9 Å²	91.9	46%	0.455	44%	0.435	S	S	.	.	H	α-helix	trans	-68.5	-40.9	-177.2	-65.8	-33	0	0	0	111.7	Q660 W662 L667 H668	Q660-D664 PolarHBondContact NE2-OD1 3.19Å; Q660-D664 PolarHBondContact NE2-OD2 3.35Å; Q660-D664 PolarHBondContact O-N 2.99Å; W662-D664 PolarHBondContact O-N 3.49Å; D664-L667 PolarHBondContact O-N 2.85Å; D664-H668 WeakPolarHBondContact O-CB 3.26Å; D664-H668 PolarHBondContact O-N 2.91Å
665	H	82.3	Confident	78.9	Confident	18 Å²	18	86.8 Å²	86.8	8%	0.083	42%	0.423	C	S	.	.	H	α-helix	trans	-68.2	-36.5	175.3	-161.6	68.4	0	0	0	112.3	T638 H639 C641 V655 A661 H668 I669	T638-H665 PolarHBondContact OG1-CE1 2.87Å; T638-H665 PolarHBondContact OG1-NE2 2.92Å; H639-H665 AromaticContact CE1-CE1 3.19Å; H639-H665 PolarHBondContact CE1-CE1 3.39Å; H639-H665 AromaticContact ND1-CE1 3.42Å; H639-H665 PolarHBondContact ND1-CE1 3.3Å; H639-H665 AromaticContact NE2-CE1 3.75Å; C641-H665 PolarHBondContact SG-NE2 2.92Å; V655-H665 HydrophobicContact CG1-CB 3.93Å; A661-H665 WeakPolarHBondContact O-CB 3.17Å; A661-H665 PolarHBondContact O-N 2.76Å; H665-H668 PolarHBondContact O-N 3.25Å; H665-I669 WeakPolarHBondContact O-CG1 3.43Å; H665-I669 PolarHBondContact O-N 3.12Å; H665-I669 VanDerWaalsContact O-N 3.16Å
666	K	85.8	Confident	79.2	Confident	90 Å²	90	90.6 Å²	90.6	39%	0.391	44%	0.442	S	S	.	.	H	α-helix	trans	-63.4	-46.1	172	-175	-172.9	-179.5	-61.2	0	111.6	W662 K663 H668 I669 D670	W662-K666 HydrophobicContact CH2-CD 3.81Å; W662-K666 HydrophobicContact CZ2-CD 4.19Å; W662-K666 HydrophobicContact CZ3-CD 4.2Å; W662-K666 WeakPolarHBondContact O-CB 3.31Å; W662-K666 PolarHBondContact O-N 3.06Å; K663-K666 PolarHBondContact O-N 3.4Å; K666-H668 VanDerWaalsContact C-N 3.28Å; K666-H668 PolarHBondContact O-N 2.83Å; K666-I669 WeakPolarHBondContact O-CB 3.13Å; K666-I669 PolarHBondContact O-N 3.09Å; K666-D670 IonicContact NZ-OD1 3.44Å; K666-D670 PolarHBondContact NZ-OD1 3.35Å; K666-D670 IonicContact NZ-OD2 3.24Å; K666-D670 PolarHBondContact NZ-OD2 3.07Å; K666-D670 PolarHBondContact O-N 2.87Å
667	L	80.1	Confident	79.1	Confident	122 Å²	122	90.1 Å²	90.1	64%	0.639	45%	0.445	S	S	*	.	H	α-helix	trans	-60.8	-38.7	179.2	-166.9	86.8	0	0	0	111.7	K663 D664 D670 H671	K663-L667 WeakPolarHBondContact O-CB 3.33Å; K663-L667 PolarHBondContact O-N 2.67Å; D664-L667 PolarHBondContact O-N 2.85Å; L667-D670 PolarHBondContact O-N 3.13Å; L667-H671 PolarHBondContact O-N 2.94Å; L667-H671 VanDerWaalsContact O-N 3.07Å
668	H	80.6	Confident	79.3	Confident	84 Å²	84	85.2 Å²	85.2	39%	0.389	43%	0.43	S	S	.	.	H	α-helix	trans	-60.8	-46.2	174.1	177.7	54.3	0	0	0	111.9	D664 H665 K666 H671 E672	D664-H668 WeakPolarHBondContact O-CB 3.26Å; D664-H668 PolarHBondContact O-N 2.91Å; H665-H668 PolarHBondContact O-N 3.25Å; K666-H668 VanDerWaalsContact C-N 3.28Å; K666-H668 PolarHBondContact O-N 2.83Å; H668-H671 PolarHBondContact O-N 2.79Å; H668-E672 PolarHBondContact O-N 3.47Å
669	I	82.1	Confident	79.4	Confident	48 Å²	48	88.9 Å²	88.9	25%	0.246	44%	0.438	C	S	.	.	H	α-helix	trans	-61.5	-47.5	175	-70	164.1	0	0	0	111.5	T638 H665 K666 H671 E672 I673	T638-I669 HydrophobicContact CG2-CD1 4.19Å; T638-I669 HydrophobicContact CG2-CG1 3.73Å; H665-I669 WeakPolarHBondContact O-CG1 3.43Å; H665-I669 PolarHBondContact O-N 3.12Å; H665-I669 VanDerWaalsContact O-N 3.16Å; K666-I669 WeakPolarHBondContact O-CB 3.13Å; K666-I669 PolarHBondContact O-N 3.09Å; I669-H671 PolarHBondContact O-N 3.39Å; I669-E672 PolarHBondContact O-N 3.41Å; I669-I673 HydrophobicContact CG2-CD1 3.81Å; I669-I673 HydrophobicContact CG2-CG1 4.48Å; I669-I673 WeakPolarHBondContact O-CG1 2.98Å; I669-I673 PolarHBondContact O-N 2.99Å
670	D	75.3	Confident	80.2	Confident	75 Å²	75	87.3 Å²	87.3	40%	0.401	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-36.4	179.4	-69.6	-35.6	0	0	0	111.5	K666 L667 E674	K666-D670 IonicContact NZ-OD1 3.44Å; K666-D670 PolarHBondContact NZ-OD1 3.35Å; K666-D670 IonicContact NZ-OD2 3.24Å; K666-D670 PolarHBondContact NZ-OD2 3.07Å; K666-D670 PolarHBondContact O-N 2.87Å; L667-D670 PolarHBondContact O-N 3.13Å; D670-E674 PolarHBondContact O-N 3.36Å; D670-E674 VanDerWaalsContact O-N 3.16Å
671	H	76.8	Confident	80.9	Confident	114 Å²	114	89.5 Å²	89.5	53%	0.528	44%	0.437	S	S	.	.	H	α-helix	trans	-73	-39.3	176	-174.2	57.7	0	0	0	113.7	L667 H668 I669 I673 E674 T675	L667-H671 PolarHBondContact O-N 2.94Å; L667-H671 VanDerWaalsContact O-N 3.07Å; H668-H671 PolarHBondContact O-N 2.79Å; I669-H671 PolarHBondContact O-N 3.39Å; H671-I673 VanDerWaalsContact C-N 3.28Å; H671-I673 PolarHBondContact O-N 2.74Å; H671-E674 PolarHBondContact O-N 3.29Å; H671-T675 WeakPolarHBondContact O-CG2 3.43Å; H671-T675 PolarHBondContact O-N 3.42Å; H671-T675 PolarHBondContact O-OG1 2.92Å
672	E	80.6	Confident	81.2	Confident	77 Å²	77	91.8 Å²	91.8	36%	0.36	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-37.1	175	-170.2	159.8	-141.7	0	0	111	H668 I669 T675 L676	H668-E672 PolarHBondContact O-N 3.47Å; I669-E672 PolarHBondContact O-N 3.41Å; E672-T675 WeakPolarHBondContact CA-OG1 3.42Å; E672-T675 PolarHBondContact O-OG1 3.4Å; E672-L676 HydrophobicContact CG-CD1 4.09Å; E672-L676 VanDerWaalsContact O-CB 3.31Å; E672-L676 WeakPolarHBondContact O-CB 3.22Å; E672-L676 VanDerWaalsContact O-CG 3.25Å; E672-L676 WeakPolarHBondContact O-CG 3.46Å; E672-L676 PolarHBondContact O-N 3.19Å
673	I	82.8	Confident	81.1	Confident	81 Å²	81	91.7 Å²	91.7	42%	0.415	45%	0.451	S	S	.	.	H	α-helix	trans	-62.9	-49	172	-67.6	167.1	0	0	0	111.6	I669 H671 T675 L676 Q677	I669-I673 HydrophobicContact CG2-CD1 3.81Å; I669-I673 HydrophobicContact CG2-CG1 4.48Å; I669-I673 WeakPolarHBondContact O-CG1 2.98Å; I669-I673 PolarHBondContact O-N 2.99Å; H671-I673 VanDerWaalsContact C-N 3.28Å; H671-I673 PolarHBondContact O-N 2.74Å; I673-T675 VanDerWaalsContact C-N 3.34Å; I673-T675 PolarHBondContact O-N 3.22Å; I673-L676 PolarHBondContact O-N 2.67Å; I673-Q677 HydrophobicContact CG2-CG 4.32Å; I673-Q677 VanDerWaalsContact CG2-NE2 3.32Å; I673-Q677 WeakPolarHBondContact O-CB 3.5Å; I673-Q677 VanDerWaalsContact O-CG 3.27Å; I673-Q677 WeakPolarHBondContact O-CG 3.47Å; I673-Q677 PolarHBondContact O-N 2.74Å
674	E	76	Confident	81.4	Confident	123 Å²	123	94.8 Å²	94.8	58%	0.575	46%	0.46	S	S	*	.	H	α-helix	trans	-62.3	-40.8	-179.7	-169.5	-173.2	-167.4	0	0	112	D670 H671 T678	D670-E674 PolarHBondContact O-N 3.36Å; D670-E674 VanDerWaalsContact O-N 3.16Å; H671-E674 PolarHBondContact O-N 3.29Å; E674-T678 WeakPolarHBondContact O-CB 3.37Å; E674-T678 PolarHBondContact O-N 2.87Å; E674-T678 PolarHBondContact O-OG1 2.84Å
675	T	82.4	Confident	81.5	Confident	66 Å²	66	97.4 Å²	97.4	41%	0.405	47%	0.47	S	S	.	.	H	α-helix	trans	-69.9	-41	179.2	52.5	0	0	0	0	112.1	H671 E672 I673 T678 K679	H671-T675 WeakPolarHBondContact O-CG2 3.43Å; H671-T675 PolarHBondContact O-N 3.42Å; H671-T675 PolarHBondContact O-OG1 2.92Å; E672-T675 WeakPolarHBondContact CA-OG1 3.42Å; E672-T675 PolarHBondContact O-OG1 3.4Å; I673-T675 VanDerWaalsContact C-N 3.34Å; I673-T675 PolarHBondContact O-N 3.22Å; T675-T678 PolarHBondContact O-N 3.33Å; T675-K679 WeakPolarHBondContact O-CB 3.22Å; T675-K679 PolarHBondContact O-N 2.87Å
676	L	82.9	Confident	81.6	Confident	89 Å²	89	100.3 Å²	100.3	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-65.7	-42.7	173.1	-73.1	173.2	0	0	0	112.4	E672 I673 T678 K679 I680	E672-L676 HydrophobicContact CG-CD1 4.09Å; E672-L676 VanDerWaalsContact O-CB 3.31Å; E672-L676 WeakPolarHBondContact O-CB 3.22Å; E672-L676 VanDerWaalsContact O-CG 3.25Å; E672-L676 WeakPolarHBondContact O-CG 3.46Å; E672-L676 PolarHBondContact O-N 3.19Å; I673-L676 PolarHBondContact O-N 2.67Å; L676-T678 VanDerWaalsContact C-N 3.29Å; L676-T678 PolarHBondContact O-N 2.87Å; L676-K679 PolarHBondContact O-N 2.63Å; L676-I680 WeakPolarHBondContact O-CB 3.11Å; L676-I680 VanDerWaalsContact O-CG1 3.31Å; L676-I680 WeakPolarHBondContact O-CG1 3.22Å; L676-I680 PolarHBondContact O-N 3.34Å
677	Q	77.1	Confident	81.5	Confident	123 Å²	123	103.7 Å²	103.7	58%	0.575	50%	0.499	S	S	*	.	H	α-helix	trans	-59.1	-41.5	173.4	-75	-178.1	17.8	0	0	111.7	I673 I680 K681	I673-Q677 HydrophobicContact CG2-CG 4.32Å; I673-Q677 VanDerWaalsContact CG2-NE2 3.32Å; I673-Q677 WeakPolarHBondContact O-CB 3.5Å; I673-Q677 VanDerWaalsContact O-CG 3.27Å; I673-Q677 WeakPolarHBondContact O-CG 3.47Å; I673-Q677 PolarHBondContact O-N 2.74Å; Q677-I680 PolarHBondContact O-N 2.03Å; Q677-K681 WeakPolarHBondContact O-CB 3.47Å; Q677-K681 PolarHBondContact O-N 2.74Å
678	T	80.5	Confident	81.2	Confident	70 Å²	70	99.3 Å²	99.3	43%	0.429	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-43.6	175.2	-61.1	0	0	0	0	111.6	E674 T675 L676 K681 N682	E674-T678 WeakPolarHBondContact O-CB 3.37Å; E674-T678 PolarHBondContact O-N 2.87Å; E674-T678 PolarHBondContact O-OG1 2.84Å; T675-T678 PolarHBondContact O-N 3.33Å; L676-T678 VanDerWaalsContact C-N 3.29Å; L676-T678 PolarHBondContact O-N 2.87Å; T678-K681 PolarHBondContact O-N 3.17Å; T678-N682 VanDerWaalsContact O-CG 3.24Å; T678-N682 PolarHBondContact O-N 3.38Å; T678-N682 PolarHBondContact O-OD1 3.14Å
679	K	84.3	Confident	81.1	Confident	135 Å²	135	101 Å²	101	59%	0.587	49%	0.491	S	S	*	.	H	α-helix	trans	-62.2	-44.1	176	-164.3	173.9	-177.4	179.8	0	111.5	T675 L676 K681 N682 L683	T675-K679 WeakPolarHBondContact O-CB 3.22Å; T675-K679 PolarHBondContact O-N 2.87Å; L676-K679 PolarHBondContact O-N 2.63Å; K679-K681 PolarHBondContact O-N 3.46Å; K679-N682 PolarHBondContact O-N 3.24Å; K679-L683 HydrophobicContact CG-CD1 4.45Å; K679-L683 WeakPolarHBondContact O-CB 3.35Å; K679-L683 VanDerWaalsContact O-CG 3.32Å; K679-L683 WeakPolarHBondContact O-CG 3.24Å; K679-L683 PolarHBondContact O-N 2.72Å
680	I	87.6	Confident	80.8	Confident	84 Å²	84	104 Å²	104	43%	0.431	51%	0.508	S	S	.	.	H	α-helix	trans	-61.9	-41.1	174.4	-70.6	165.9	0	0	0	111.3	L676 Q677 L683 R684	L676-I680 WeakPolarHBondContact O-CB 3.11Å; L676-I680 VanDerWaalsContact O-CG1 3.31Å; L676-I680 WeakPolarHBondContact O-CG1 3.22Å; L676-I680 PolarHBondContact O-N 3.34Å; Q677-I680 PolarHBondContact O-N 2.03Å; I680-L683 PolarHBondContact O-N 2.85Å; I680-R684 HydrophobicContact CG2-CG 4.39Å; I680-R684 WeakPolarHBondContact O-CB 3.38Å; I680-R684 VanDerWaalsContact O-CG 3.27Å; I680-R684 WeakPolarHBondContact O-CG 3.04Å; I680-R684 PolarHBondContact O-N 3.29Å
681	K	84.3	Confident	80.7	Confident	146 Å²	146	108.7 Å²	108.7	64%	0.635	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-47.9	176.5	-176.7	172.9	179.7	171.1	0	111.6	Q677 T678 K679 L683 R684 E685	Q677-K681 WeakPolarHBondContact O-CB 3.47Å; Q677-K681 PolarHBondContact O-N 2.74Å; T678-K681 PolarHBondContact O-N 3.17Å; K679-K681 PolarHBondContact O-N 3.46Å; K681-L683 VanDerWaalsContact C-N 3.34Å; K681-L683 PolarHBondContact O-N 3.38Å; K681-R684 WeakPolarHBondContact O-CB 3.25Å; K681-R684 PolarHBondContact O-N 2.9Å; K681-E685 PolarHBondContact O-N 3.08Å
682	N	81.7	Confident	80.5	Confident	86 Å²	86	112.2 Å²	112.2	46%	0.46	54%	0.538	S	S	.	.	H	α-helix	trans	-61.9	-41.9	177.5	-62.9	-7.4	0	0	0	111.2	T678 K679 E685 V686	T678-N682 VanDerWaalsContact O-CG 3.24Å; T678-N682 PolarHBondContact O-N 3.38Å; T678-N682 PolarHBondContact O-OD1 3.14Å; K679-N682 PolarHBondContact O-N 3.24Å; N682-E685 WeakPolarHBondContact O-CB 3.46Å; N682-E685 PolarHBondContact O-N 3.47Å; N682-V686 WeakPolarHBondContact O-CG2 3.42Å; N682-V686 PolarHBondContact O-N 2.91Å
683	L	84.6	Confident	79.7	Confident	109 Å²	109	111.7 Å²	111.7	57%	0.571	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-35.8	175.3	-72.4	172.6	0	0	0	112.9	K679 I680 K681 E685 R687	K679-L683 HydrophobicContact CG-CD1 4.45Å; K679-L683 WeakPolarHBondContact O-CB 3.35Å; K679-L683 VanDerWaalsContact O-CG 3.32Å; K679-L683 WeakPolarHBondContact O-CG 3.24Å; K679-L683 PolarHBondContact O-N 2.72Å; I680-L683 PolarHBondContact O-N 2.85Å; K681-L683 VanDerWaalsContact C-N 3.34Å; K681-L683 PolarHBondContact O-N 3.38Å; L683-E685 VanDerWaalsContact C-N 3.32Å; L683-R687 VanDerWaalsContact O-CB 3.25Å; L683-R687 WeakPolarHBondContact O-CB 3.41Å; L683-R687 PolarHBondContact O-N 2.89Å
684	R	82.1	Confident	78.8	Confident	166 Å²	166	116.2 Å²	116.2	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-64.8	-36.8	172	-74.7	172.3	-178.3	-166.2	2.5	111.7	I680 K681 G688	I680-R684 HydrophobicContact CG2-CG 4.39Å; I680-R684 WeakPolarHBondContact O-CB 3.38Å; I680-R684 VanDerWaalsContact O-CG 3.27Å; I680-R684 WeakPolarHBondContact O-CG 3.04Å; I680-R684 PolarHBondContact O-N 3.29Å; K681-R684 WeakPolarHBondContact O-CB 3.25Å; K681-R684 PolarHBondContact O-N 2.9Å; R684-G688 PolarHBondContact O-N 2.85Å
685	E	82.3	Confident	78	Confident	140 Å²	140	115.3 Å²	115.3	65%	0.654	56%	0.56	S	S	*	*	H	α-helix	trans	-69.9	-45.3	176.3	-169.7	165.2	-151.6	0	0	111.7	K681 N682 L683 R687 G688 H689	K681-E685 PolarHBondContact O-N 3.08Å; N682-E685 WeakPolarHBondContact O-CB 3.46Å; N682-E685 PolarHBondContact O-N 3.47Å; L683-E685 VanDerWaalsContact C-N 3.32Å; E685-R687 PolarHBondContact O-N 2.04Å; E685-G688 CarbonylContact O-C 3.48Å; E685-G688 WeakPolarHBondContact O-CA 3.4Å; E685-G688 PolarHBondContact O-N 2.86Å; E685-G688 VanDerWaalsContact O-N 3.09Å; E685-H689 PolarHBondContact O-N 3.35Å
686	V	82.8	Confident	76.5	Confident	79 Å²	79	120.2 Å²	120.2	48%	0.479	58%	0.582	S	S	.	*	H	α-helix	trans	-59.8	-45	171.7	171.9	0	0	0	0	111.3	N682 G688 H689 L690	N682-V686 WeakPolarHBondContact O-CG2 3.42Å; N682-V686 PolarHBondContact O-N 2.91Å; V686-G688 VanDerWaalsContact C-N 3.26Å; V686-G688 PolarHBondContact O-N 2.03Å; V686-H689 WeakPolarHBondContact O-CB 3.26Å; V686-H689 PolarHBondContact O-N 3.46Å; V686-H689 VanDerWaalsContact O-N 3.13Å; V686-L690 HydrophobicContact CG1-CD1 4.01Å; V686-L690 HydrophobicContact CG1-CG 4.38Å; V686-L690 WeakPolarHBondContact O-CG 3.38Å; V686-L690 PolarHBondContact O-N 2.96Å
687	R	84.7	Confident	74.7	Confident	160 Å²	160	123 Å²	123	60%	0.604	59%	0.593	S	S	*	*	H	α-helix	trans	-61.7	-34.9	173.9	-171.9	-179.8	69.6	168.9	3.3	112.1	L683 E685 K691	L683-R687 VanDerWaalsContact O-CB 3.25Å; L683-R687 WeakPolarHBondContact O-CB 3.41Å; L683-R687 PolarHBondContact O-N 2.89Å; E685-R687 PolarHBondContact O-N 2.04Å; R687-K691 WeakPolarHBondContact O-CB 3.35Å; R687-K691 WeakPolarHBondContact O-CG 3.44Å; R687-K691 PolarHBondContact O-N 3.28Å
688	G	74.5	Confident	72.8	Confident	31 Å²	31	122.7 Å²	122.7	32%	0.32	60%	0.603	S	S	.	*	H	α-helix	trans	-67.6	-37.3	173.2	0	0	0	0	0	113	R684 E685 V686 K692	R684-G688 PolarHBondContact O-N 2.85Å; E685-G688 CarbonylContact O-C 3.48Å; E685-G688 WeakPolarHBondContact O-CA 3.4Å; E685-G688 PolarHBondContact O-N 2.86Å; E685-G688 VanDerWaalsContact O-N 3.09Å; V686-G688 VanDerWaalsContact C-N 3.26Å; V686-G688 PolarHBondContact O-N 2.03Å; G688-K692 WeakPolarHBondContact O-CG 3.49Å; G688-K692 PolarHBondContact O-N 3.31Å
689	H	77.1	Confident	70.7	Confident	118 Å²	118	125.7 Å²	125.7	55%	0.546	62%	0.617	S	S	.	*	H	α-helix	trans	-67.1	-51.1	172.2	178.8	56.3	0	0	0	111.3	E685 V686 K691 K692 S693	E685-H689 PolarHBondContact O-N 3.35Å; V686-H689 WeakPolarHBondContact O-CB 3.26Å; V686-H689 PolarHBondContact O-N 3.46Å; V686-H689 VanDerWaalsContact O-N 3.13Å; H689-K691 VanDerWaalsContact C-N 3.27Å; H689-K691 PolarHBondContact O-N 3.02Å; H689-K692 CarbonylContact O-C 3.53Å; H689-K692 WeakPolarHBondContact O-CA 3.39Å; H689-K692 PolarHBondContact O-N 3.46Å; H689-S693 PolarHBondContact CE1-OG 3.38Å; H689-S693 VanDerWaalsContact CE1-OG 3.25Å; H689-S693 WeakPolarHBondContact O-CB 3.29Å; H689-S693 PolarHBondContact O-N 2.64Å; H689-S693 PolarHBondContact O-OG 2.8Å
690	L	75.9	Confident	68.6	Low	113 Å²	113	124.6 Å²	124.6	59%	0.592	62%	0.624	S	S	*	*	H	α-helix	trans	-58.2	-35.8	177.2	-68.3	171.8	0	0	0	112.6	V686 K692 S693 R694	V686-L690 HydrophobicContact CG1-CD1 4.01Å; V686-L690 HydrophobicContact CG1-CG 4.38Å; V686-L690 WeakPolarHBondContact O-CG 3.38Å; V686-L690 PolarHBondContact O-N 2.96Å; L690-K692 VanDerWaalsContact C-N 3.35Å; L690-S693 CarbonylContact O-C 3.48Å; L690-S693 PolarHBondContact O-N 2.14Å; L690-R694 PolarHBondContact O-N 2.95Å; L690-R694 VanDerWaalsContact O-N 3.08Å
691	K	72.8	Confident	66.4	Low	172 Å²	172	127.8 Å²	127.8	75%	0.748	64%	0.643	S	S	*	*	H	α-helix	trans	-66.9	-30.1	171.7	-82.4	-163.9	171	-159.3	0	114.2	R687 H689	R687-K691 WeakPolarHBondContact O-CB 3.35Å; R687-K691 WeakPolarHBondContact O-CG 3.44Å; R687-K691 PolarHBondContact O-N 3.28Å; H689-K691 VanDerWaalsContact C-N 3.27Å; H689-K691 PolarHBondContact O-N 3.02Å
692	K	72.8	Confident	64.1	Low	188 Å²	188	129 Å²	129	82%	0.817	65%	0.648	S	S	*	*	H	α-helix	trans	-86.1	-21.8	176.4	-72.2	178.8	176.8	-172.7	0	113.2	G688 H689 L690	G688-K692 WeakPolarHBondContact O-CG 3.49Å; G688-K692 PolarHBondContact O-N 3.31Å; H689-K692 CarbonylContact O-C 3.53Å; H689-K692 WeakPolarHBondContact O-CA 3.39Å; H689-K692 PolarHBondContact O-N 3.46Å; L690-K692 VanDerWaalsContact C-N 3.35Å
693	S	64.8	Low	61.7	Low	66 Å²	66	134.2 Å²	134.2	46%	0.462	66%	0.662	S	S	.	*	S	Bend	trans	-110.5	23	-179	-61.8	0	0	0	0	112.4	H689 L690 P695	H689-S693 PolarHBondContact CE1-OG 3.38Å; H689-S693 VanDerWaalsContact CE1-OG 3.25Å; H689-S693 WeakPolarHBondContact O-CB 3.29Å; H689-S693 PolarHBondContact O-N 2.64Å; H689-S693 PolarHBondContact O-OG 2.8Å; L690-S693 CarbonylContact O-C 3.48Å; L690-S693 PolarHBondContact O-N 2.14Å; S693-P695 WeakPolarHBondContact O-CD 3.18Å
694	R	62.8	Low	59.3	Low	176 Å²	176	136.9 Å²	136.9	66%	0.664	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-60.3	120.6	170.6	175.8	175	-179.5	172.1	2	108.3	L690 E697	L690-R694 PolarHBondContact O-N 2.95Å; L690-R694 VanDerWaalsContact O-N 3.08Å; R694-E697 IonicContact CZ-OE1 2.7Å; R694-E697 IonicContact NE-OE1 2.59Å; R694-E697 IonicContact NH2-OE1 3.14Å; R694-E697 PolarHBondContact NH2-OE1 3.3Å
695	P	59.5	Low	57	Low	105 Å²	105	138.9 Å²	138.9	68%	0.682	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-60.5	145	169.6	-20.4	33.4	0	0	0	110.2	S693	S693-P695 WeakPolarHBondContact O-CD 3.18Å
696	L	51.5	Low	54.6	Low	169 Å²	169	141.4 Å²	141.4	89%	0.885	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.6	141.2	162.8	-66.9	170.4	0	0	0	108.3
697	E	45	Very low	52.3	Low	148 Å²	148	143 Å²	143	69%	0.692	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-64.5	141.4	-178.1	-90	125.1	-130.6	0	0	111.8	R694 D699	R694-E697 IonicContact CZ-OE1 2.7Å; R694-E697 IonicContact NE-OE1 2.59Å; R694-E697 IonicContact NH2-OE1 3.14Å; R694-E697 PolarHBondContact NH2-OE1 3.3Å; E697-D699 PolarHBondContact O-N 3.07Å; E697-D699 VanDerWaalsContact O-N 3.12Å
698	C	38	Very low	49.7	Very low	116 Å²	116	144.6 Å²	144.6	78%	0.784	73%	0.727	S	S	*	*			trans	-76.6	97.4	174.5	-69	0	0	0	0	108.9	C700	C698-C700 PolarHBondContact O-N 3.48Å
699	D	36.5	Very low	47.8	Very low	133 Å²	133	151.9 Å²	151.9	71%	0.711	76%	0.758	S	S	*	*			trans	-73.4	76.2	177	-159.3	12.2	0	0	0	110.2	E697 N701	E697-D699 PolarHBondContact O-N 3.07Å; E697-D699 VanDerWaalsContact O-N 3.12Å; D699-N701 PolarHBondContact O-N 2.61Å
700	C	39.5	Very low	45.7	Very low	111 Å²	111	155.8 Å²	155.8	75%	0.75	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	53.5	-174.7	-77.2	0	0	0	0	113.3	C698	C698-C700 PolarHBondContact O-N 3.48Å
701	N	40.7	Very low	43.6	Very low	152 Å²	152	159.7 Å²	159.7	81%	0.813	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.4	57	153	-102.9	-25.3	0	0	0	114.3	D699	D699-N701 PolarHBondContact O-N 2.61Å
702	K	36.8	Very low	41.5	Very low	171 Å²	171	161.2 Å²	161.2	74%	0.743	79%	0.792	S	S	*	*	S	Bend	trans	-125.2	99.7	157	-92.3	-178.8	179.4	166.1	0	113.2
703	Y	31.5	Very low	39.6	Very low	195 Å²	195	160 Å²	160	77%	0.765	79%	0.793	S	S	*	*			trans	66.3	90	160.6	-63.1	-79.7	0	0	0	118.2	Y705	Y703-Y705 PolarHBondContact O-N 2.67Å
704	L	33.4	Very low	37.9	Very low	166 Å²	166	167 Å²	167	87%	0.869	81%	0.81	S	S	*	*				-56.1	94.5	126.5	-82.6	79.3	0	0	0	108.6
705	Y	34.3	Very low	36.3	Very low	208 Å²	208	167.3 Å²	167.3	82%	0.816	82%	0.816	S	S	*	*			trans	-160.5	140.3	148.9	-116.8	-76.7	0	0	0	111.1	Y703	Y703-Y705 PolarHBondContact O-N 2.67Å
706	K	31.4	Very low	34.7	Very low	192 Å²	192	173.9 Å²	173.9	84%	0.835	83%	0.827	S	S	*	*			trans	77.8	40	-179.5	-58.4	-174.9	176.6	175.8	0	118.2	K708	K706-K708 PolarHBondContact O-N 2.71Å
707	A	34.1	Very low	33.6	Very low	113 Å²	113	169.6 Å²	169.6	93%	0.934	82%	0.824	S	S	*	*			trans	-69.4	56	149.5	0	0	0	0	0	112.1
708	K	31.6	Very low	33	Very low	194 Å²	194	166.7 Å²	166.7	84%	0.843	83%	0.834	S	S	*	*			trans	-149.1	51.1	-174.7	-132.9	176.1	-170.5	179.5	0	115.7	K706	K706-K708 PolarHBondContact O-N 2.71Å
709	L	33.3	Very low	32.5	Very low	183 Å²	183	164.6 Å²	164.6	96%	0.958	83%	0.832	S	S	*	*			trans	-139.2	123.7	148.2	-141.7	80.7	0	0	0	109.4
710	K	34.5	Very low	32.4	Very low	200 Å²	200	165.4 Å²	165.4	87%	0.87	84%	0.835	S	S	*	*			trans	-141.3	148.3	-169.2	-158.6	173.9	-172.1	174.5	0	110.1
711	K	30.7	Very low	32	Very low	196 Å²	196	168.1 Å²	168.1	85%	0.852	84%	0.837	S	S	*	*			trans	83.3	91.9	174.5	-52.6	177.4	179.5	178.2	0	118.1
712	K	29.5	Very low	31.9	Very low	203 Å²	203	165.8 Å²	165.8	88%	0.883	83%	0.83	S	S	*	*				-178.8	139.3	117.1	-95.2	176.8	-179.1	-179.7	0	107.1
713	L	31.7	Very low	31.9	Very low	163 Å²	163	166.3 Å²	166.3	85%	0.853	83%	0.833	S	S	*	*			cis	-144.2	-179.5	-8.7	-128.6	163.4	0	0	0	108.9
714	R	30.2	Very low	32.1	Very low	213 Å²	213	162.4 Å²	162.4	80%	0.804	83%	0.834	S	S	*	*			trans	-103.3	151.6	-168.5	-113.2	-175.9	-179.4	-172	1.7	113
715	F	28.4	Very low	32.3	Very low	182 Å²	182	165.9 Å²	165.9	80%	0.798	84%	0.835	S	S	*	*			trans	79.2	153.9	152.1	-99.1	-100.2	0	0	0	121.8
716	R	26.1	Very low	32.3	Very low	243 Å²	243	164.4 Å²	164.4	92%	0.917	83%	0.833	S	S	*	*			trans	64.9	135.7	-179.3	-60.3	-175.8	178.2	-175.8	-0.7	115.3
717	G	28	Very low	32.4	Very low	79 Å²	79	157.9 Å²	157.9	81%	0.814	82%	0.82	S	S	*	*			cis	118	95.1	-7.3	0	0	0	0	0	113.9
718	G	32	Very low	32.7	Very low	88 Å²	88	155 Å²	155	91%	0.907	80%	0.802	S	S	*	*			trans	88.8	110.5	167.7	0	0	0	0	0	115.7
719	G	29	Very low	33.2	Very low	71 Å²	71	148.8 Å²	148.8	73%	0.732	79%	0.786	S	S	*	*			trans	163.4	97	168.8	0	0	0	0	0	115.9
720	L	34.8	Very low	33.2	Very low	150 Å²	150	150.2 Å²	150.2	79%	0.785	78%	0.779	S	S	*	*			trans	55.7	129.9	151.1	-66.8	145.7	0	0	0	120.3
721	H	30.1	Very low	34.1	Very low	169 Å²	169	146.4 Å²	146.4	78%	0.782	77%	0.768	S	S	*	*				-166.5	133.6	97.2	-111.6	-91.3	0	0	0	112.4	F723	H721-F723 PolarHBondContact O-N 2.87Å
722	P	38.3	Very low	35.3	Very low	102 Å²	102	144 Å²	144	66%	0.662	76%	0.758	S	S	*	*			trans	-94.9	42.2	-165.1	37.9	-38.6	0	0	0	116.1
723	F	37.8	Very low	36.8	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.803	75%	0.75	S	S	*	*			trans	-121.1	67.2	-175.4	-83.9	-87.9	0	0	0	115.1	H721	H721-F723 PolarHBondContact O-N 2.87Å
724	S	35.8	Very low	37.8	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	73%	0.725	S	S	*	*	S	Bend	trans	-145.1	-21.2	167.4	177.8	0	0	0	0	115.3	K726	S724-K726 PolarHBondContact O-N 2.94Å; S724-K726 VanDerWaalsContact O-N 3.17Å
725	R	36.2	Very low	39.7	Very low	238 Å²	238	134.1 Å²	134.1	90%	0.898	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-3.7	-169.4	-79.6	-173.7	170.8	-174.4	-1.8	117.7
726	K	34.2	Very low	41.6	Very low	178 Å²	178	129.4 Å²	129.4	77%	0.774	70%	0.698	S	S	*	*	H	α-helix	trans	-72.7	-30.9	-174.6	-76.9	-173.1	176.7	178.8	0	114.7	S724	S724-K726 PolarHBondContact O-N 2.94Å; S724-K726 VanDerWaalsContact O-N 3.17Å
727	G	34.6	Very low	43.5	Very low	55 Å²	55	122.4 Å²	122.4	57%	0.567	68%	0.678	S	S	*	*	H	α-helix	trans	-66.5	-44	-178.6	0	0	0	0	0	114.3	A729	G727-A729 PolarHBondContact O-N 3.39Å
728	G	41.1	Very low	45.3	Very low	53 Å²	53	125.2 Å²	125.2	55%	0.546	67%	0.668	S	S	.	*	H	α-helix	trans	-68.1	-30.5	-177.1	0	0	0	0	0	114.5	K732	G728-K732 WeakPolarHBondContact O-CB 3.07Å; G728-K732 PolarHBondContact O-N 3.36Å
729	A	41	Very low	47.4	Very low	62 Å²	62	123 Å²	123	51%	0.512	63%	0.634	S	S	.	*	H	α-helix	trans	-68.3	-40.2	-176.1	0	0	0	0	0	112.9	G727 K732 K733	G727-A729 PolarHBondContact O-N 3.39Å; A729-K732 PolarHBondContact O-N 3.5Å; A729-K733 WeakPolarHBondContact O-CB 3.17Å; A729-K733 PolarHBondContact O-N 2.97Å
730	W	33.5	Very low	49.4	Very low	213 Å²	213	124.9 Å²	124.9	81%	0.807	62%	0.624	S	S	*	*	H	α-helix	trans	-65.6	-46.3	177.8	-116.8	80.1	0	0	0	111.4	K732 K733 S734	W730-K732 PolarHBondContact O-N 3.04Å; W730-K733 PolarHBondContact O-N 3.5Å; W730-S734 WeakPolarHBondContact O-CB 3.49Å; W730-S734 PolarHBondContact O-N 2.92Å
731	N	53.4	Low	50.9	Low	120 Å²	120	124.6 Å²	124.6	64%	0.642	62%	0.616	S	S	*	*	H	α-helix	trans	-62.4	-42.3	174.8	-82.3	-15.1	0	0	0	112.1	K733 S734 W735	N731-K733 PolarHBondContact O-N 3.28Å; N731-S734 PolarHBondContact O-N 2.92Å; N731-W735 VanDerWaalsContact O-CB 3.23Å; N731-W735 WeakPolarHBondContact O-CB 3.02Å; N731-W735 PolarHBondContact O-N 2.88Å
732	K	56.1	Low	52.7	Low	146 Å²	146	124.9 Å²	124.9	64%	0.635	61%	0.61	S	S	*	*	H	α-helix	trans	-64.6	-38.6	176.9	-163.7	169.4	-173.5	174.4	0	112.4	G728 A729 W730 L736	G728-K732 WeakPolarHBondContact O-CB 3.07Å; G728-K732 PolarHBondContact O-N 3.36Å; A729-K732 PolarHBondContact O-N 3.5Å; W730-K732 PolarHBondContact O-N 3.04Å; K732-L736 HydrophobicContact CG-CD1 4.38Å; K732-L736 WeakPolarHBondContact O-CB 3.19Å; K732-L736 VanDerWaalsContact O-CG 3.26Å; K732-L736 WeakPolarHBondContact O-CG 3.32Å; K732-L736 PolarHBondContact O-N 2.94Å
733	K	61.3	Low	54.2	Low	164 Å²	164	127.2 Å²	127.2	71%	0.713	61%	0.606	S	S	*	*	H	α-helix	trans	-69.1	-41.6	175.4	-167.6	174.4	-177.3	179	0	112.1	A729 W730 N731 L736 L737	A729-K733 WeakPolarHBondContact O-CB 3.17Å; A729-K733 PolarHBondContact O-N 2.97Å; W730-K733 PolarHBondContact O-N 3.5Å; N731-K733 PolarHBondContact O-N 3.28Å; K733-L736 PolarHBondContact O-N 2.87Å; K733-L737 WeakPolarHBondContact O-CB 3.35Å; K733-L737 PolarHBondContact O-N 3.34Å
734	S	51.2	Low	55.6	Low	47 Å²	47	125.3 Å²	125.3	33%	0.329	60%	0.597	S	S	.	*	H	α-helix	trans	-63.9	-44.3	174.9	-176.1	0	0	0	0	111.9	W730 N731 L737 K738	W730-S734 WeakPolarHBondContact O-CB 3.49Å; W730-S734 PolarHBondContact O-N 2.92Å; N731-S734 PolarHBondContact O-N 2.92Å; S734-L737 PolarHBondContact O-N 3.42Å; S734-K738 WeakPolarHBondContact O-CG 3.32Å; S734-K738 PolarHBondContact O-N 2.76Å
735	W	69.9	Low	57.1	Low	160 Å²	160	127.8 Å²	127.8	61%	0.606	59%	0.594	S	S	*	*	H	α-helix	trans	-61.9	-47.1	174.4	-176.2	92.6	0	0	0	111.6	N731 L737 K738 E739	N731-W735 VanDerWaalsContact O-CB 3.23Å; N731-W735 WeakPolarHBondContact O-CB 3.02Å; N731-W735 PolarHBondContact O-N 2.88Å; W735-L737 VanDerWaalsContact C-N 3.29Å; W735-L737 PolarHBondContact O-N 3.35Å; W735-K738 PolarHBondContact O-N 3.38Å; W735-E739 HydrophobicContact CE3-CB 4.5Å; W735-E739 HydrophobicContact CH2-CG 4.35Å; W735-E739 HydrophobicContact CZ3-CB 4.47Å; W735-E739 HydrophobicContact CZ3-CG 4.46Å; W735-E739 VanDerWaalsContact O-CB 3.29Å; W735-E739 WeakPolarHBondContact O-CB 3.29Å; W735-E739 PolarHBondContact O-N 2.85Å
736	L	69.4	Low	58.3	Low	83 Å²	83	122.1 Å²	122.1	44%	0.435	58%	0.579	S	S	.	*	H	α-helix	trans	-59.6	-37.5	174.6	-78.1	167.8	0	0	0	112.4	K732 K733 E739 Q740	K732-L736 HydrophobicContact CG-CD1 4.38Å; K732-L736 WeakPolarHBondContact O-CB 3.19Å; K732-L736 VanDerWaalsContact O-CG 3.26Å; K732-L736 WeakPolarHBondContact O-CG 3.32Å; K732-L736 PolarHBondContact O-N 2.94Å; K733-L736 PolarHBondContact O-N 2.87Å; L736-E739 PolarHBondContact O-N 3.06Å; L736-Q740 WeakPolarHBondContact O-CB 3.45Å; L736-Q740 VanDerWaalsContact O-CG 3.31Å; L736-Q740 WeakPolarHBondContact O-CG 3.41Å; L736-Q740 PolarHBondContact O-N 2.84Å
737	L	65.6	Low	60	Low	97 Å²	97	123 Å²	123	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-70.6	-39.8	176.9	-151.9	81.4	0	0	0	112	K733 S734 W735 K741	K733-L737 WeakPolarHBondContact O-CB 3.35Å; K733-L737 PolarHBondContact O-N 3.34Å; S734-L737 PolarHBondContact O-N 3.42Å; W735-L737 VanDerWaalsContact C-N 3.29Å; W735-L737 PolarHBondContact O-N 3.35Å; L737-K741 WeakPolarHBondContact O-CB 3.46Å; L737-K741 WeakPolarHBondContact O-CG 3.39Å; L737-K741 PolarHBondContact O-N 2.94Å
738	K	66.1	Low	61.4	Low	138 Å²	138	127.9 Å²	127.9	60%	0.6	58%	0.583	S	S	*	*	H	α-helix	trans	-64.1	-41.1	172.8	-73.4	177.7	-178.7	-177.2	0	111.2	S734 W735 K741 R742	S734-K738 WeakPolarHBondContact O-CG 3.32Å; S734-K738 PolarHBondContact O-N 2.76Å; W735-K738 PolarHBondContact O-N 3.38Å; K738-K741 PolarHBondContact O-N 3.29Å; K738-R742 PolarHBondContact O-N 3.44Å
739	E	75.2	Confident	62.5	Low	41 Å²	41	130.8 Å²	130.8	19%	0.192	58%	0.584	C	S	.	*	H	α-helix	trans	-70.5	-38.5	177.7	178.6	55.4	-164.6	0	0	112	W735 L736 K741 R742 R743	W735-E739 HydrophobicContact CE3-CB 4.5Å; W735-E739 HydrophobicContact CH2-CG 4.35Å; W735-E739 HydrophobicContact CZ3-CB 4.47Å; W735-E739 HydrophobicContact CZ3-CG 4.46Å; W735-E739 VanDerWaalsContact O-CB 3.29Å; W735-E739 WeakPolarHBondContact O-CB 3.29Å; W735-E739 PolarHBondContact O-N 2.85Å; L736-E739 PolarHBondContact O-N 3.06Å; E739-K741 VanDerWaalsContact C-N 3.35Å; E739-K741 PolarHBondContact O-N 3.38Å; E739-R742 PolarHBondContact O-N 3.07Å; E739-R743 WeakPolarHBondContact O-CB 3.01Å; E739-R743 WeakPolarHBondContact O-CG 3.48Å; E739-R743 PolarHBondContact O-N 2.04Å; E739-R743 WeakPolarHBondContact OE1-CG 3.05Å; E739-R743 IonicContact OE1-CZ 2.68Å; E739-R743 IonicContact OE1-NE 3.51Å; E739-R743 PolarHBondContact OE1-NE 2.99Å; E739-R743 IonicContact OE1-NH2 2.64Å; E739-R743 PolarHBondContact OE1-NH2 3.03Å
740	Q	72.6	Confident	63.5	Low	111 Å²	111	133.1 Å²	133.1	52%	0.519	59%	0.585	S	S	.	*	H	α-helix	trans	-63.1	-39.2	168.9	-77.2	-177.6	2.5	0	0	112.1	L736 K744	L736-Q740 WeakPolarHBondContact O-CB 3.45Å; L736-Q740 VanDerWaalsContact O-CG 3.31Å; L736-Q740 WeakPolarHBondContact O-CG 3.41Å; L736-Q740 PolarHBondContact O-N 2.84Å; Q740-K744 WeakPolarHBondContact O-CB 3.09Å; Q740-K744 VanDerWaalsContact O-CG 3.3Å; Q740-K744 WeakPolarHBondContact O-CG 3.32Å; Q740-K744 PolarHBondContact O-N 3.45Å
741	K	65.4	Low	64.9	Low	143 Å²	143	129.3 Å²	129.3	62%	0.622	58%	0.575	S	S	*	*	H	α-helix	trans	-64.3	-41.5	172.6	-76.6	-176.4	176.7	-170.8	0	111.5	L737 K738 E739 K744 K745	L737-K741 WeakPolarHBondContact O-CB 3.46Å; L737-K741 WeakPolarHBondContact O-CG 3.39Å; L737-K741 PolarHBondContact O-N 2.94Å; K738-K741 PolarHBondContact O-N 3.29Å; E739-K741 VanDerWaalsContact C-N 3.35Å; E739-K741 PolarHBondContact O-N 3.38Å; K741-K744 PolarHBondContact O-N 3.04Å; K741-K745 PolarHBondContact O-N 3.08Å
742	R	67.3	Low	65.3	Low	175 Å²	175	128.9 Å²	128.9	66%	0.66	56%	0.564	S	S	*	*	H	α-helix	trans	-60.7	-52.3	172.4	-81	-179.6	159.6	-166.4	-10.2	111.9	K738 E739 K744 K745 M746	K738-R742 PolarHBondContact O-N 3.44Å; E739-R742 PolarHBondContact O-N 3.07Å; R742-K744 VanDerWaalsContact C-N 3.3Å; R742-K744 PolarHBondContact O-N 3.33Å; R742-K745 CarbonylContact O-C 3.58Å; R742-K745 WeakPolarHBondContact O-CA 3.49Å; R742-K745 WeakPolarHBondContact O-CB 3.03Å; R742-K745 PolarHBondContact O-N 2.97Å; R742-M746 WeakPolarHBondContact O-CG 3.5Å; R742-M746 PolarHBondContact O-N 2.81Å
743	R	70.5	Confident	65.4	Low	151 Å²	151	127 Å²	127	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-60	-35.7	176.6	-71.2	-179.8	-178.6	-143.8	-7.2	112.8	E739 R747	E739-R743 WeakPolarHBondContact O-CB 3.01Å; E739-R743 WeakPolarHBondContact O-CG 3.48Å; E739-R743 PolarHBondContact O-N 2.04Å; E739-R743 WeakPolarHBondContact OE1-CG 3.05Å; E739-R743 IonicContact OE1-CZ 2.68Å; E739-R743 IonicContact OE1-NE 3.51Å; E739-R743 PolarHBondContact OE1-NE 2.99Å; E739-R743 IonicContact OE1-NH2 2.64Å; E739-R743 PolarHBondContact OE1-NH2 3.03Å; R743-R747 WeakPolarHBondContact O-CB 3.4Å; R743-R747 VanDerWaalsContact O-CG 3.25Å; R743-R747 WeakPolarHBondContact O-CG 3.45Å; R743-R747 PolarHBondContact O-N 2.74Å
744	K	68	Low	65.1	Low	143 Å²	143	129.5 Å²	129.5	62%	0.622	57%	0.565	S	S	*	*	H	α-helix	trans	-67.5	-40.1	171.9	-77	179.1	177.5	-175.9	0	112.3	Q740 K741 R742 K748	Q740-K744 WeakPolarHBondContact O-CB 3.09Å; Q740-K744 VanDerWaalsContact O-CG 3.3Å; Q740-K744 WeakPolarHBondContact O-CG 3.32Å; Q740-K744 PolarHBondContact O-N 3.45Å; K741-K744 PolarHBondContact O-N 3.04Å; R742-K744 VanDerWaalsContact C-N 3.3Å; R742-K744 PolarHBondContact O-N 3.33Å; K744-K748 WeakPolarHBondContact O-CG 3.34Å; K744-K748 PolarHBondContact O-N 2.92Å; K744-K748 VanDerWaalsContact O-N 3.09Å
745	K	66.6	Low	65.4	Low	166 Å²	166	131.4 Å²	131.4	72%	0.722	57%	0.571	S	S	*	*	H	α-helix	trans	-63	-51.1	171.4	-76	-168.4	174.4	-164.7	0	111.5	K741 R742 R747 K748 M749	K741-K745 PolarHBondContact O-N 3.08Å; R742-K745 CarbonylContact O-C 3.58Å; R742-K745 WeakPolarHBondContact O-CA 3.49Å; R742-K745 WeakPolarHBondContact O-CB 3.03Å; R742-K745 PolarHBondContact O-N 2.97Å; K745-R747 PolarHBondContact O-N 3.05Å; K745-K748 PolarHBondContact O-N 2.8Å; K745-K748 VanDerWaalsContact O-N 3.12Å; K745-M749 WeakPolarHBondContact O-CB 3.02Å; K745-M749 PolarHBondContact O-N 2.94Å
746	M	61.7	Low	64.7	Low	118 Å²	118	130.2 Å²	130.2	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-54.2	-47.5	175.9	-73.4	-76	-77.8	0	0	112	R742 K748 M749 M750	R742-M746 WeakPolarHBondContact O-CG 3.5Å; R742-M746 PolarHBondContact O-N 2.81Å; M746-K748 PolarHBondContact O-N 2.02Å; M746-M749 PolarHBondContact O-N 3.04Å; M746-M750 WeakPolarHBondContact O-CB 3.46Å; M746-M750 WeakPolarHBondContact O-CG 3.33Å; M746-M750 PolarHBondContact O-N 3.15Å
747	R	69.8	Low	64.2	Low	197 Å²	197	128.8 Å²	128.8	74%	0.743	57%	0.57	S	S	*	*	H	α-helix	trans	-64.2	-37.5	177.3	-74.6	174.9	177.8	-172.3	-3.1	112.9	R743 K745 K751	R743-R747 WeakPolarHBondContact O-CB 3.4Å; R743-R747 VanDerWaalsContact O-CG 3.25Å; R743-R747 WeakPolarHBondContact O-CG 3.45Å; R743-R747 PolarHBondContact O-N 2.74Å; K745-R747 PolarHBondContact O-N 3.05Å; R747-K751 WeakPolarHBondContact O-CB 3.27Å; R747-K751 PolarHBondContact O-N 2.99Å
748	K	63.8	Low	64.1	Low	157 Å²	157	130.1 Å²	130.1	68%	0.683	58%	0.582	S	S	*	*	H	α-helix	trans	-66.9	-40.8	172.9	-76.3	-170.4	172.8	-162.4	0	111.9	K744 K745 M746 K751 R752	K744-K748 WeakPolarHBondContact O-CG 3.34Å; K744-K748 PolarHBondContact O-N 2.92Å; K744-K748 VanDerWaalsContact O-N 3.09Å; K745-K748 PolarHBondContact O-N 2.8Å; K745-K748 VanDerWaalsContact O-N 3.12Å; M746-K748 PolarHBondContact O-N 2.02Å; K748-K751 PolarHBondContact O-N 2.9Å; K748-R752 WeakPolarHBondContact O-CG 3.48Å; K748-R752 PolarHBondContact O-N 2.81Å
749	M	63.7	Low	64.5	Low	115 Å²	115	123.8 Å²	123.8	57%	0.567	56%	0.555	S	S	*	*	H	α-helix	trans	-66.6	-47.1	177.4	-176.3	172.8	175.5	0	0	111.9	K745 M746 K751 R752 I753	K745-M749 WeakPolarHBondContact O-CB 3.02Å; K745-M749 PolarHBondContact O-N 2.94Å; M746-M749 PolarHBondContact O-N 3.04Å; M749-K751 VanDerWaalsContact C-N 3.31Å; M749-K751 PolarHBondContact O-N 3.09Å; M749-R752 WeakPolarHBondContact O-CB 3.38Å; M749-R752 PolarHBondContact O-N 2.92Å; M749-R752 VanDerWaalsContact O-N 3.15Å; M749-I753 HydrophobicContact CE-CD1 4.23Å; M749-I753 HydrophobicContact CG-CD1 3.96Å; M749-I753 WeakPolarHBondContact O-CG1 3.49Å; M749-I753 PolarHBondContact O-N 3.19Å
750	M	61.7	Low	64.2	Low	110 Å²	110	125.4 Å²	125.4	54%	0.542	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-30.9	175.3	-67.7	-58	-64.6	0	0	112.8	M746 I753 R754	M746-M750 WeakPolarHBondContact O-CB 3.46Å; M746-M750 WeakPolarHBondContact O-CG 3.33Å; M746-M750 PolarHBondContact O-N 3.15Å; M750-I753 HydrophobicContact SD-CD1 4.28Å; M750-R754 VanDerWaalsContact O-CB 3.27Å; M750-R754 WeakPolarHBondContact O-CB 3.4Å; M750-R754 PolarHBondContact O-N 3.07Å
751	K	63.8	Low	64.1	Low	133 Å²	133	125 Å²	125	58%	0.578	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-47	169.2	-169.7	-178	178.2	-170.3	0	110.7	R747 K748 M749 I753 R754 N755	R747-K751 WeakPolarHBondContact O-CB 3.27Å; R747-K751 PolarHBondContact O-N 2.99Å; K748-K751 PolarHBondContact O-N 2.9Å; M749-K751 VanDerWaalsContact C-N 3.31Å; M749-K751 PolarHBondContact O-N 3.09Å; K751-I753 PolarHBondContact O-N 3.38Å; K751-R754 PolarHBondContact O-N 3.35Å; K751-N755 VanDerWaalsContact O-CB 3.3Å; K751-N755 WeakPolarHBondContact O-CB 3.39Å; K751-N755 PolarHBondContact O-N 3.05Å; K751-N755 PolarHBondContact O-OD1 3.38Å
752	R	61.1	Low	64.2	Low	111 Å²	111	123.7 Å²	123.7	42%	0.419	58%	0.576	S	S	.	*	H	α-helix	trans	-55.9	-48.8	176.5	-78.9	176.1	170.6	-164.6	-9.2	112.7	K748 M749 R754 N755 N756 D757	K748-R752 WeakPolarHBondContact O-CG 3.48Å; K748-R752 PolarHBondContact O-N 2.81Å; M749-R752 WeakPolarHBondContact O-CB 3.38Å; M749-R752 PolarHBondContact O-N 2.92Å; M749-R752 VanDerWaalsContact O-N 3.15Å; R752-R754 PolarHBondContact O-N 2.93Å; R752-N755 CarbonylContact O-C 3.52Å; R752-N755 PolarHBondContact O-N 3.16Å; R752-N755 VanDerWaalsContact O-N 3.15Å; R752-N756 PolarHBondContact O-N 3.46Å; R752-D757 WeakPolarHBondContact CA-OD2 3.35Å; R752-D757 HydrophobicContact CB-CB 3.78Å; R752-D757 HydrophobicContact CG-CB 3.82Å; R752-D757 WeakPolarHBondContact CG-OD2 3.5Å; R752-D757 PolarHBondContact O-N 3.49Å
753	I	59.4	Low	64.3	Low	106 Å²	106	117.8 Å²	117.8	54%	0.544	57%	0.57	S	S	.	*	H	α-helix	trans	-60.4	-44.9	176.8	-66.2	164	0	0	0	110.8	M749 M750 K751 N755 N756	M749-I753 HydrophobicContact CE-CD1 4.23Å; M749-I753 HydrophobicContact CG-CD1 3.96Å; M749-I753 WeakPolarHBondContact O-CG1 3.49Å; M749-I753 PolarHBondContact O-N 3.19Å; M750-I753 HydrophobicContact SD-CD1 4.28Å; K751-I753 PolarHBondContact O-N 3.38Å; I753-N755 VanDerWaalsContact C-N 3.29Å; I753-N755 PolarHBondContact O-N 3.18Å; I753-N756 PolarHBondContact O-N 3.08Å
754	R	54.6	Low	64.7	Low	218 Å²	218	111.8 Å²	111.8	82%	0.823	55%	0.549	S	S	*	.	H	α-helix	trans	-64.6	-30.9	176.1	-175.5	-179.3	-65.1	-165.4	-4.8	113.4	M750 K751 R752 N756	M750-R754 VanDerWaalsContact O-CB 3.27Å; M750-R754 WeakPolarHBondContact O-CB 3.4Å; M750-R754 PolarHBondContact O-N 3.07Å; K751-R754 PolarHBondContact O-N 3.35Å; R752-R754 PolarHBondContact O-N 2.93Å; R754-N756 VanDerWaalsContact C-N 3.34Å
755	N	58	Low	65.2	Low	87 Å²	87	106.4 Å²	106.4	47%	0.465	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.6	177.6	-81	47.5	0	0	0	113.2	K751 R752 I753 D757	K751-N755 VanDerWaalsContact O-CB 3.3Å; K751-N755 WeakPolarHBondContact O-CB 3.39Å; K751-N755 PolarHBondContact O-N 3.05Å; K751-N755 PolarHBondContact O-OD1 3.38Å; R752-N755 CarbonylContact O-C 3.52Å; R752-N755 PolarHBondContact O-N 3.16Å; R752-N755 VanDerWaalsContact O-N 3.15Å; I753-N755 VanDerWaalsContact C-N 3.29Å; I753-N755 PolarHBondContact O-N 3.18Å; N755-D757 PolarHBondContact O-N 3.43Å
756	N	55.3	Low	66	Low	135 Å²	135	99.1 Å²	99.1	72%	0.722	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31	-170.8	-154.1	23.2	0	0	0	114	R752 I753 R754 T758	R752-N756 PolarHBondContact O-N 3.46Å; I753-N756 PolarHBondContact O-N 3.08Å; R754-N756 VanDerWaalsContact C-N 3.34Å; N756-T758 PolarHBondContact O-N 3.47Å
757	D	57.9	Low	67.1	Low	53 Å²	53	98.9 Å²	98.9	28%	0.283	49%	0.494	S	S	.	.			trans	-66	92.5	178.4	-82.5	-55.3	0	0	0	110.9	R752 N755 C759	R752-D757 WeakPolarHBondContact CA-OD2 3.35Å; R752-D757 HydrophobicContact CB-CB 3.78Å; R752-D757 HydrophobicContact CG-CB 3.82Å; R752-D757 WeakPolarHBondContact CG-OD2 3.5Å; R752-D757 PolarHBondContact O-N 3.49Å; N755-D757 PolarHBondContact O-N 3.43Å; D757-C759 PolarHBondContact O-N 2.87Å
758	T	63.6	Low	67.8	Low	125 Å²	125	92.3 Å²	92.3	77%	0.767	48%	0.476	S	S	*	.			trans	-72.8	-4.7	173.1	54.6	0	0	0	0	113.6	N756 S760	N756-T758 PolarHBondContact O-N 3.47Å; T758-S760 VanDerWaalsContact C-N 3.31Å; T758-S760 PolarHBondContact O-N 3.18Å
759	C	75.3	Confident	68.9	Low	5 Å²	5	85.4 Å²	85.4	3%	0.034	45%	0.446	C	S	.	.			trans	-76.4	71.2	-174.7	-169.3	0	0	0	0	113.7	D757 F767 T768 C786	D757-C759 PolarHBondContact O-N 2.87Å; C759-F767 PolarHBondContact SG-O 3.08Å; C759-F767 VanDerWaalsContact SG-O 3.35Å; C759-T768 WeakPolarHBondContact CB-OG1 3.05Å; C759-C786 WeakPolarHBondContact CA-SG 3.22Å; C759-C786 HydrophobicContact CB-CB 3.61Å; C759-C786 WeakPolarHBondContact CB-SG 3.38Å; C759-C786 VanDerWaalsContact SG-CA 3.55Å; C759-C786 WeakPolarHBondContact SG-CB 3.47Å; C759-C786 CovalentContact SG-SG 2.03Å; C759-C786 PolarHBondContact SG-SG 3.31Å
760	S	69.1	Low	70.1	Confident	75 Å²	75	83.2 Å²	83.2	52%	0.524	44%	0.437	S	S	.	.			trans	-155.3	111.5	169	58.5	0	0	0	0	113.1	T758	T758-S760 VanDerWaalsContact C-N 3.31Å; T758-S760 PolarHBondContact O-N 3.18Å
761	M	69.9	Low	71.3	Confident	102 Å²	102	81.5 Å²	81.5	50%	0.502	43%	0.429	S	S	.	.			trans	-90.5	144.8	166.1	-69.5	-66.1	-77.6	0	0	110.5	G763 L764 C766 C788	M761-G763 PolarHBondContact O-N 3.26Å; M761-L764 HydrophobicContact CB-CB 4.22Å; M761-L764 HydrophobicContact CB-CD1 4.01Å; M761-L764 HydrophobicContact CB-CG 4.45Å; M761-C766 PolarHBondContact N-SG 2.8Å; M761-C788 HydrophobicContact CG-CB 4.5Å
762	P	67.1	Low	72.2	Confident	116 Å²	116	82.5 Å²	82.5	75%	0.753	44%	0.436	S	S	*	.	S	Bend	trans	-56.9	137	174	-25.3	35.3	0	0	0	112.3	L764	P762-L764 PolarHBondContact O-N 3.35Å
763	G	69.4	Low	73.3	Confident	51 Å²	51	79.2 Å²	79.2	53%	0.526	43%	0.426	S	S	.	.	S	Bend	trans	76	-35.7	179.5	0	0	0	0	0	115.8	M761	M761-G763 PolarHBondContact O-N 3.26Å
764	L	77.9	Confident	74.8	Confident	24 Å²	24	74.4 Å²	74.4	13%	0.126	40%	0.401	C	S	.	.	S	Bend	trans	-80.3	152.1	-176.4	-61.5	176.2	0	0	0	113.5	W260 I261 M761 P762 C788 S790 A791	W260-L764 HydrophobicContact CH2-CD2 3.81Å; W260-L764 HydrophobicContact CZ3-CD2 3.78Å; W260-L764 HydrophobicContact CZ3-CG 4.34Å; I261-L764 HydrophobicContact CG1-CD2 4.15Å; I261-L764 HydrophobicContact CG2-CD2 4.19Å; M761-L764 HydrophobicContact CB-CB 4.22Å; M761-L764 HydrophobicContact CB-CD1 4.01Å; M761-L764 HydrophobicContact CB-CG 4.45Å; P762-L764 PolarHBondContact O-N 3.35Å; L764-C788 HydrophobicContact CB-CB 4.19Å; L764-C788 HydrophobicContact CD1-CB 3.89Å; L764-S790 CarbonylContact C-O 3.58Å; L764-S790 WeakPolarHBondContact CA-O 2.99Å; L764-S790 WeakPolarHBondContact CD2-O 3.12Å; L764-A791 HydrophobicContact CD2-CB 4.26Å
765	T	80.5	Confident	76.3	Confident	30 Å²	30	69.8 Å²	69.8	18%	0.184	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.9	165.1	20.2	0	0	0	0	109.9	S790 N792	T765-S790 PolarHBondContact N-O 2.93Å; T765-S790 PolarHBondContact OG1-O 3.09Å; T765-S790 PolarHBondContact OG1-OG 2.86Å; T765-N792 WeakPolarHBondContact CG2-ND2 3.49Å
766	C	83.2	Confident	77.7	Confident	13 Å²	13	66.6 Å²	66.6	9%	0.088	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.3	178.5	-49.2	0	0	0	0	112.6	M761 A787 C788	M761-C766 PolarHBondContact N-SG 2.8Å; C766-A787 CarbonylContact C-O 3.6Å; C766-A787 WeakPolarHBondContact CA-O 3.42Å; C766-C788 HydrophobicContact CB-CB 4.03Å; C766-C788 WeakPolarHBondContact CB-SG 3.34Å; C766-C788 WeakPolarHBondContact SG-CB 3.39Å; C766-C788 CovalentContact SG-SG 2.03Å; C766-C788 PolarHBondContact SG-SG 2.68Å
767	F	83.6	Confident	79.1	Confident	113 Å²	113	62 Å²	62	50%	0.496	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131	178.4	-57	-87.3	0	0	0	109.5	C759 A787	C759-F767 PolarHBondContact SG-O 3.08Å; C759-F767 VanDerWaalsContact SG-O 3.35Å; F767-A787 PolarHBondContact N-O 3.19Å; F767-A787 PolarHBondContact O-N 2.64Å
768	T	85.5	Confident	80.5	Confident	60 Å²	60	61 Å²	61	37%	0.368	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.9	164.7	-43.6	0	0	0	0	107.3	C759 F785	C759-T768 WeakPolarHBondContact CB-OG1 3.05Å; T768-F785 WeakPolarHBondContact CA-O 3.42Å
769	H	87.1	Confident	81.7	Confident	11 Å²	11	60.9 Å²	60.9	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	147.2	164.2	-69.1	-77.4	0	0	0	108.3	F275 H773 P784 F785	F275-H769 AromaticContact CZ-CE1 3.83Å; F275-H769 AromaticContact CZ-CG 4Å; F275-H769 AromaticContact CZ-ND1 3.72Å; H769-H773 AromaticContact CE1-CE1 3.74Å; H769-H773 AromaticContact CE1-ND1 3.61Å; H769-H773 AromaticContact ND1-CE1 3.91Å; H769-H773 AromaticContact ND1-CG 3.5Å; H769-H773 AromaticContact ND1-ND1 3.02Å; H769-H773 PolarHBondContact ND1-ND1 3.44Å; H769-P784 CarbonylContact O-C 3.51Å; H769-P784 WeakPolarHBondContact O-CA 3.44Å; H769-P784 WeakPolarHBondContact O-CB 2.98Å; H769-F785 HydrophobicContact CB-CD1 4.04Å; H769-F785 HydrophobicContact CB-CE1 3.52Å; H769-F785 HydrophobicContact CB-CE2 4.14Å; H769-F785 HydrophobicContact CB-CZ 3.55Å; H769-F785 AromaticContact CD2-CE2 3.74Å; H769-F785 AromaticContact CD2-CZ 3.68Å; H769-F785 AromaticContact CG-CZ 3.74Å; H769-F785 PolarHBondContact N-O 2.88Å; H769-F785 PolarHBondContact O-N 2.97Å
770	D	87	Confident	82.5	Confident	70 Å²	70	61 Å²	61	37%	0.374	34%	0.338	S	S	.	.			trans	-145.1	178.9	-179.4	62.2	39	0	0	0	110.6	Q772 H773 P784	D770-Q772 PolarHBondContact O-N 3.22Å; D770-Q772 WeakPolarHBondContact OD1-CA 3.49Å; D770-Q772 WeakPolarHBondContact OD1-CB 3.29Å; D770-Q772 PolarHBondContact OD1-N 2.82Å; D770-H773 VanDerWaalsContact O-CB 3.27Å; D770-H773 WeakPolarHBondContact O-CB 3.36Å; D770-H773 PolarHBondContact O-N 2.73Å; D770-H773 PolarHBondContact OD1-N 2.81Å; D770-P784 HydrophobicContact CB-CB 4.1Å
771	N	87.4	Confident	83.5	Confident	73 Å²	73	62.4 Å²	62.4	39%	0.39	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-1.5	-177.4	-65.5	22.6	0	0	0	113.7	W780 T781 G783	N771-W780 VanDerWaalsContact CA-O 3.29Å; N771-W780 WeakPolarHBondContact CA-O 3.43Å; N771-W780 VanDerWaalsContact CB-O 3.22Å; N771-W780 WeakPolarHBondContact CB-O 3.26Å; N771-T781 PolarHBondContact ND2-O 3.42Å; N771-T781 VanDerWaalsContact ND2-O 3.16Å; N771-G783 WeakPolarHBondContact OD1-CA 2.99Å; N771-G783 PolarHBondContact OD1-N 2.99Å; N771-G783 VanDerWaalsContact OD1-N 3.09Å
772	Q	83.9	Confident	84.4	Confident	154 Å²	154	62 Å²	62	72%	0.72	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	10.6	174.5	-56.2	-175	-5.1	0	0	112.5	D770 W774 H775	D770-Q772 PolarHBondContact O-N 3.22Å; D770-Q772 WeakPolarHBondContact OD1-CA 3.49Å; D770-Q772 WeakPolarHBondContact OD1-CB 3.29Å; D770-Q772 PolarHBondContact OD1-N 2.82Å; Q772-W774 VanDerWaalsContact C-N 3.3Å; Q772-W774 PolarHBondContact O-N 2.94Å; Q772-H775 PolarHBondContact O-CE1 3Å
773	H	84.4	Confident	85.4	Confident	43 Å²	43	57.3 Å²	57.3	20%	0.199	32%	0.316	C	S	.	.	S	Bend	trans	-63.4	-28.9	-179.3	178.7	70.8	0	0	0	114.1	E229 F275 K365 H769 D770	E229-H773 VanDerWaalsContact CD-NE2 3.27Å; E229-H773 IonicContact OE1-NE2 3.38Å; E229-H773 IonicContact OE2-CE1 3.61Å; E229-H773 IonicContact OE2-NE2 4Å; E229-H773 PolarHBondContact OE2-NE2 3.4Å; F275-H773 AromaticContact CE2-CD2 3.99Å; K365-H773 PolarHBondContact NZ-CE1 3.47Å; K365-H773 VanDerWaalsContact NZ-CE1 3.28Å; K365-H773 PolarHBondContact NZ-NE2 3.06Å; H769-H773 AromaticContact CE1-CE1 3.74Å; H769-H773 AromaticContact CE1-ND1 3.61Å; H769-H773 AromaticContact ND1-CE1 3.91Å; H769-H773 AromaticContact ND1-CG 3.5Å; H769-H773 AromaticContact ND1-ND1 3.02Å; H769-H773 PolarHBondContact ND1-ND1 3.44Å; D770-H773 VanDerWaalsContact O-CB 3.27Å; D770-H773 WeakPolarHBondContact O-CB 3.36Å; D770-H773 PolarHBondContact O-N 2.73Å; D770-H773 PolarHBondContact OD1-N 2.81Å
774	W	89.6	Confident	86.3	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.015	32%	0.321	C	S	.	.			trans	-120.5	148	171.2	-64.9	-58.2	0	0	0	110.9	E229 F275 V278 L279 K282 Q772 W780	E229-W774 PolarHBondContact OE2-NE1 2.93Å; F275-W774 AromaticContact CD2-CH2 3.83Å; F275-W774 HydrophobicContact CD2-CH2 3.83Å; F275-W774 HydrophobicContact CD2-CZ3 4.42Å; F275-W774 AromaticContact CE2-CH2 3.57Å; F275-W774 HydrophobicContact CE2-CH2 3.57Å; F275-W774 AromaticContact CE2-CZ2 3.94Å; F275-W774 HydrophobicContact CE2-CZ2 3.94Å; F275-W774 HydrophobicContact CE2-CZ3 4.28Å; F275-W774 HydrophobicContact CZ-CH2 4.35Å; F275-W774 HydrophobicContact CZ-CZ2 4.34Å; V278-W774 HydrophobicContact CB-CH2 4.02Å; V278-W774 HydrophobicContact CB-CZ3 4.12Å; V278-W774 HydrophobicContact CG1-CE3 4.2Å; V278-W774 HydrophobicContact CG1-CH2 3.67Å; V278-W774 HydrophobicContact CG1-CZ3 3.43Å; V278-W774 VanDerWaalsContact CG1-CZ3 3.43Å; L279-W774 HydrophobicContact CB-CH2 4.46Å; L279-W774 HydrophobicContact CB-CZ2 4.19Å; L279-W774 HydrophobicContact CD1-CZ2 4.15Å; K282-W774 HydrophobicContact CG-CD2 4.2Å; K282-W774 HydrophobicContact CG-CZ2 4.14Å; Q772-W774 VanDerWaalsContact C-N 3.3Å; Q772-W774 PolarHBondContact O-N 2.94Å; W774-W780 HydrophobicContact CE3-CB 3.98Å; W774-W780 HydrophobicContact CZ3-CB 3.99Å; W774-W780 HydrophobicContact CZ3-CE3 4.08Å
775	H	85.9	Confident	86.9	Confident	121 Å²	121	59.4 Å²	59.4	56%	0.56	32%	0.319	S	S	*	.	S	Bend	trans	-107.4	-10.7	179	-61.1	-35.4	0	0	0	113.4	D230 Q772	D230-H775 PolarHBondContact OD1-N 2.82Å; D230-H775 IonicContact OD2-CD2 3.17Å; Q772-H775 PolarHBondContact O-CE1 3Å
776	T	87	Confident	87.2	Confident	21 Å²	21	60 Å²	60	13%	0.129	32%	0.324	C	S	.	.	S	Bend	trans	-110.2	161.1	169.7	65.3	0	0	0	0	112	Y170 D230 S231 K282 P778	Y170-T776 HydrophobicContact CE2-CG2 3.91Å; D230-T776 HydrophobicContact CB-CG2 4.17Å; D230-T776 PolarHBondContact OD1-N 3.02Å; S231-T776 PolarHBondContact N-OG1 3.2Å; K282-T776 VanDerWaalsContact NZ-C 3.34Å; K282-T776 PolarHBondContact NZ-O 3.06Å; K282-T776 PolarHBondContact NZ-OG1 3.04Å; T776-P778 CarbonylContact O-C 3.56Å
777	A	84.8	Confident	87.4	Confident	37 Å²	37	59.5 Å²	59.5	31%	0.306	32%	0.321	S	S	.	.	S	Bend	trans	-67.4	151.5	172.2	0	0	0	0	0	111.8	K282 F779	K282-A777 PolarHBondContact NZ-O 3.13Å; A777-F779 HydrophobicContact CB-CD2 4.47Å; A777-F779 HydrophobicContact CB-CE2 4.13Å
778	P	87.7	Confident	87.4	Confident	33 Å²	33	55.5 Å²	55.5	21%	0.214	31%	0.307	C	S	.	.	S	Bend	cis	-66.4	144.2	-12.8	29.9	-36.6	0	0	0	111.7	S236 V278 K282 T776	S236-P778 WeakPolarHBondContact O-CD 3.45Å; V278-P778 HydrophobicContact CG1-CG 4.15Å; K282-P778 WeakPolarHBondContact CE-O 3.24Å; K282-P778 PolarHBondContact NZ-O 2.92Å; T776-P778 CarbonylContact O-C 3.56Å
779	F	89.4	Confident	87	Confident	123 Å²	123	53 Å²	53	54%	0.539	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-88.4	156.3	177.4	-60.6	-75.2	0	0	0	111.5	A777	A777-F779 HydrophobicContact CB-CD2 4.47Å; A777-F779 HydrophobicContact CB-CE2 4.13Å
780	W	91.6	Very high	86.5	Confident	8 Å²	8	53.3 Å²	53.3	3%	0.03	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-81.8	123	173.1	-176.3	-108.5	0	0	0	110.9	I271 F275 N771 W774 L782 G783 F785	I271-W780 HydrophobicContact CD1-CZ2 4.18Å; I271-W780 HydrophobicContact CG1-CH2 4.14Å; I271-W780 HydrophobicContact CG1-CZ2 3.67Å; F275-W780 HydrophobicContact CB-CH2 3.57Å; F275-W780 HydrophobicContact CB-CZ2 4.18Å; F275-W780 HydrophobicContact CB-CZ3 3.87Å; F275-W780 HydrophobicContact CD2-CD2 4.25Å; F275-W780 HydrophobicContact CD2-CE3 4.09Å; F275-W780 HydrophobicContact CD2-CH2 4.24Å; F275-W780 HydrophobicContact CD2-CZ2 4.39Å; F275-W780 HydrophobicContact CD2-CZ3 4.1Å; F275-W780 HydrophobicContact CG-CH2 4.41Å; F275-W780 HydrophobicContact CG-CZ3 4.49Å; N771-W780 VanDerWaalsContact CA-O 3.29Å; N771-W780 WeakPolarHBondContact CA-O 3.43Å; N771-W780 VanDerWaalsContact CB-O 3.22Å; N771-W780 WeakPolarHBondContact CB-O 3.26Å; W774-W780 HydrophobicContact CE3-CB 3.98Å; W774-W780 HydrophobicContact CZ3-CB 3.99Å; W774-W780 HydrophobicContact CZ3-CE3 4.08Å; W780-L782 HydrophobicContact CH2-CB 4.07Å; W780-L782 HydrophobicContact CH2-CD1 3.85Å; W780-L782 HydrophobicContact CH2-CG 4.27Å; W780-L782 HydrophobicContact CZ2-CB 3.74Å; W780-L782 HydrophobicContact CZ2-CD1 4.38Å; W780-L782 HydrophobicContact CZ2-CG 4.43Å; W780-L782 HydrophobicContact CZ3-CD1 4.26Å; W780-G783 PolarHBondContact NE1-O 2.93Å; W780-F785 AromaticContact CE2-CE1 3.89Å; W780-F785 HydrophobicContact CH2-CE1 4.46Å; W780-F785 AromaticContact CZ2-CD1 3.87Å; W780-F785 HydrophobicContact CZ2-CD1 3.87Å; W780-F785 AromaticContact CZ2-CE1 3.66Å; W780-F785 HydrophobicContact CZ2-CE1 3.66Å
781	T	90.5	Very high	86	Confident	104 Å²	104	50 Å²	50	64%	0.638	28%	0.277	S	S	*	.			trans	-113.6	-24.5	-173.3	52.8	0	0	0	0	114.1	N771 G783	N771-T781 PolarHBondContact ND2-O 3.42Å; N771-T781 VanDerWaalsContact ND2-O 3.16Å; T781-G783 PolarHBondContact O-N 3.49Å
782	L	89.8	Confident	85	Confident	93 Å²	93	52.2 Å²	52.2	49%	0.487	29%	0.289	S	S	.	.	S	Bend	trans	-76.1	12.5	-167.8	-57.4	-178.8	0	0	0	115.5	I271 E274 W780	I271-L782 HydrophobicContact CD1-CB 4.27Å; I271-L782 WeakPolarHBondContact CD1-O 3.21Å; I271-L782 HydrophobicContact CG1-CB 4.4Å; E274-L782 HydrophobicContact CB-CD1 4.09Å; E274-L782 HydrophobicContact CG-CD1 3.75Å; W780-L782 HydrophobicContact CH2-CB 4.07Å; W780-L782 HydrophobicContact CH2-CD1 3.85Å; W780-L782 HydrophobicContact CH2-CG 4.27Å; W780-L782 HydrophobicContact CZ2-CB 3.74Å; W780-L782 HydrophobicContact CZ2-CD1 4.38Å; W780-L782 HydrophobicContact CZ2-CG 4.43Å; W780-L782 HydrophobicContact CZ3-CD1 4.26Å
783	G	87.4	Confident	84.3	Confident	18 Å²	18	49.8 Å²	49.8	19%	0.186	28%	0.281	C	S	.	.			trans	86.1	173.3	175.6	0	0	0	0	0	113.9	N771 W780 T781	N771-G783 WeakPolarHBondContact OD1-CA 2.99Å; N771-G783 PolarHBondContact OD1-N 2.99Å; N771-G783 VanDerWaalsContact OD1-N 3.09Å; W780-G783 PolarHBondContact NE1-O 2.93Å; T781-G783 PolarHBondContact O-N 3.49Å
784	P	88.8	Confident	84.3	Confident	99 Å²	99	48 Å²	48	64%	0.643	27%	0.272	S	S	*	.			trans	-76.9	140.9	-174.7	30.8	-34.8	0	0	0	112.9	H769 D770	H769-P784 CarbonylContact O-C 3.51Å; H769-P784 WeakPolarHBondContact O-CA 3.44Å; H769-P784 WeakPolarHBondContact O-CB 2.98Å; D770-P784 HydrophobicContact CB-CB 4.1Å
785	F	90	Very high	84.3	Confident	19 Å²	19	48.7 Å²	48.7	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	168.2	175.7	73	-89.7	0	0	0	111.9	I271 H272 F275 V364 T768 H769 W780 A787	I271-F785 HydrophobicContact CD1-CB 4.1Å; I271-F785 HydrophobicContact CD1-CD1 4.19Å; I271-F785 HydrophobicContact CD1-CG 4.46Å; I271-F785 HydrophobicContact CG1-CD1 4.13Å; I271-F785 HydrophobicContact CG1-CG 4.46Å; H272-F785 AromaticContact CD2-CD2 3.47Å; H272-F785 VanDerWaalsContact CD2-CD2 3.47Å; H272-F785 WeakPolarHBondContact CD2-CD2 3.47Å; H272-F785 AromaticContact CD2-CE2 3.82Å; F275-F785 HydrophobicContact CB-CE1 4Å; F275-F785 HydrophobicContact CB-CZ 3.8Å; F275-F785 HydrophobicContact CD1-CE1 4.48Å; F275-F785 HydrophobicContact CD1-CE2 4.39Å; F275-F785 AromaticContact CD1-CZ 3.62Å; F275-F785 HydrophobicContact CD1-CZ 3.62Å; F275-F785 AromaticContact CD2-CE1 3.62Å; F275-F785 HydrophobicContact CD2-CE1 3.62Å; F275-F785 AromaticContact CD2-CZ 3.53Å; F275-F785 HydrophobicContact CD2-CZ 3.53Å; F275-F785 AromaticContact CE1-CZ 3.98Å; F275-F785 HydrophobicContact CE1-CZ 3.98Å; F275-F785 HydrophobicContact CE2-CE1 4.18Å; F275-F785 AromaticContact CE2-CZ 3.92Å; F275-F785 HydrophobicContact CE2-CZ 3.92Å; F275-F785 AromaticContact CG-CE1 3.78Å; F275-F785 HydrophobicContact CG-CE1 3.78Å; F275-F785 HydrophobicContact CG-CE2 4.42Å; F275-F785 AromaticContact CG-CZ 3.35Å; F275-F785 HydrophobicContact CG-CZ 3.35Å; F275-F785 HydrophobicContact CZ-CZ 4.12Å; V364-F785 HydrophobicContact CG1-CE2 4.27Å; T768-F785 WeakPolarHBondContact CA-O 3.42Å; H769-F785 HydrophobicContact CB-CD1 4.04Å; H769-F785 HydrophobicContact CB-CE1 3.52Å; H769-F785 HydrophobicContact CB-CE2 4.14Å; H769-F785 HydrophobicContact CB-CZ 3.55Å; H769-F785 AromaticContact CD2-CE2 3.74Å; H769-F785 AromaticContact CD2-CZ 3.68Å; H769-F785 AromaticContact CG-CZ 3.74Å; H769-F785 PolarHBondContact N-O 2.88Å; H769-F785 PolarHBondContact O-N 2.97Å; W780-F785 AromaticContact CE2-CE1 3.89Å; W780-F785 HydrophobicContact CH2-CE1 4.46Å; W780-F785 AromaticContact CZ2-CD1 3.87Å; W780-F785 HydrophobicContact CZ2-CD1 3.87Å; W780-F785 AromaticContact CZ2-CE1 3.66Å; W780-F785 HydrophobicContact CZ2-CE1 3.66Å; F785-A787 HydrophobicContact CE2-CB 4.22Å
786	C	87.6	Confident	84.7	Confident	43 Å²	43	43 Å²	43	29%	0.291	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132	179.5	-177	0	0	0	0	111.4	C759	C759-C786 WeakPolarHBondContact CA-SG 3.22Å; C759-C786 HydrophobicContact CB-CB 3.61Å; C759-C786 WeakPolarHBondContact CB-SG 3.38Å; C759-C786 VanDerWaalsContact SG-CA 3.55Å; C759-C786 WeakPolarHBondContact SG-CB 3.47Å; C759-C786 CovalentContact SG-SG 2.03Å; C759-C786 PolarHBondContact SG-SG 3.31Å
787	A	86.3	Confident	85.1	Confident	2 Å²	2	42.6 Å²	42.6	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.8	169.2	0	0	0	0	0	110.6	V364 C766 F767 F785 T789	V364-A787 HydrophobicContact CB-CB 4.02Å; V364-A787 HydrophobicContact CG1-CB 4.31Å; V364-A787 HydrophobicContact CG2-CB 4.23Å; C766-A787 CarbonylContact C-O 3.6Å; C766-A787 WeakPolarHBondContact CA-O 3.42Å; F767-A787 PolarHBondContact N-O 3.19Å; F767-A787 PolarHBondContact O-N 2.64Å; F785-A787 HydrophobicContact CE2-CB 4.22Å; A787-T789 HydrophobicContact CB-CG2 4.24Å
788	C	84.3	Confident	85.7	Confident	30 Å²	30	40.8 Å²	40.8	20%	0.203	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	100.6	176.2	-60.7	0	0	0	0	108.7	M761 L764 C766	M761-C788 HydrophobicContact CG-CB 4.5Å; L764-C788 HydrophobicContact CB-CB 4.19Å; L764-C788 HydrophobicContact CD1-CB 3.89Å; C766-C788 HydrophobicContact CB-CB 4.03Å; C766-C788 WeakPolarHBondContact CB-SG 3.34Å; C766-C788 WeakPolarHBondContact SG-CB 3.39Å; C766-C788 CovalentContact SG-SG 2.03Å; C766-C788 PolarHBondContact SG-SG 2.68Å
789	T	76.4	Confident	86.1	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	2.3	-162.5	59.2	0	0	0	0	114.6	V364 K365 M369 A787	V364-T789 HydrophobicContact CB-CG2 4.23Å; K365-T789 WeakPolarHBondContact O-CB 3.3Å; K365-T789 WeakPolarHBondContact O-CG2 3.38Å; K365-T789 PolarHBondContact O-OG1 3.26Å; M369-T789 WeakPolarHBondContact CE-O 3.13Å; A787-T789 HydrophobicContact CB-CG2 4.24Å
790	S	76.9	Confident	86.4	Confident	18 Å²	18	33.5 Å²	33.5	13%	0.126	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	173.7	-176.7	51	0	0	0	0	110.8	L764 T765	L764-S790 CarbonylContact C-O 3.58Å; L764-S790 WeakPolarHBondContact CA-O 2.99Å; L764-S790 WeakPolarHBondContact CD2-O 3.12Å; T765-S790 PolarHBondContact N-O 2.93Å; T765-S790 PolarHBondContact OG1-O 3.09Å; T765-S790 PolarHBondContact OG1-OG 2.86Å
791	A	76.9	Confident	86.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.197	C	C	.	.			trans	-142	142	171.1	0	0	0	0	0	111.2	W260 I261 R452 L764 N793 N794	W260-A791 HydrophobicContact CH2-CB 3.47Å; W260-A791 VanDerWaalsContact CH2-CB 3.47Å; W260-A791 HydrophobicContact CZ2-CB 3.43Å; W260-A791 VanDerWaalsContact CZ2-CB 3.43Å; I261-A791 HydrophobicContact CD1-CB 4.02Å; R452-A791 PolarHBondContact NH2-O 3.47Å; L764-A791 HydrophobicContact CD2-CB 4.26Å; A791-N793 PolarHBondContact O-N 3.04Å; A791-N794 HydrophobicContact CB-CB 4.35Å; A791-N794 PolarHBondContact O-N 3.1Å
792	N	66.6	Low	86.7	Confident	121 Å²	121	29.7 Å²	29.7	65%	0.647	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.2	-178.6	-73.9	-60.6	0	0	0	114.2	T765	T765-N792 WeakPolarHBondContact CG2-ND2 3.49Å
793	N	68.9	Low	86.7	Confident	102 Å²	102	27.6 Å²	27.6	55%	0.545	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-0.3	-177.9	64	-41.3	0	0	0	113.5	A791 T795	A791-N793 PolarHBondContact O-N 3.04Å; N793-T795 PolarHBondContact O-N 3.1Å; N793-T795 VanDerWaalsContact O-N 3.11Å; N793-T795 PolarHBondContact O-OG1 3.39Å
794	N	83.3	Confident	86.6	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.027	20%	0.199	C	C	.	.			trans	-62.1	118.8	175	-166.4	24.1	0	0	0	108.9	I261 A791	I261-N794 HydrophobicContact CD1-CB 4.04Å; A791-N794 HydrophobicContact CB-CB 4.35Å; A791-N794 PolarHBondContact O-N 3.1Å
795	T	89.9	Confident	86.5	Confident	20 Å²	20	37 Å²	37	12%	0.123	20%	0.201	C	C	.	.			trans	-136.9	123.1	-168.2	-58	0	0	0	0	107.2	R452 K454 N793 W797 A814	R452-T795 CarbonylContact O-C 3.54Å; R452-T795 VanDerWaalsContact O-CA 3.25Å; R452-T795 WeakPolarHBondContact O-CA 3.46Å; R452-T795 WeakPolarHBondContact O-CG2 3.31Å; K454-T795 WeakPolarHBondContact O-CG2 3.45Å; N793-T795 PolarHBondContact O-N 3.1Å; N793-T795 VanDerWaalsContact O-N 3.11Å; N793-T795 PolarHBondContact O-OG1 3.39Å; T795-W797 HydrophobicContact CG2-CH2 3.67Å; T795-W797 HydrophobicContact CG2-CZ2 3.84Å; T795-W797 HydrophobicContact CG2-CZ3 4.37Å; T795-A814 HydrophobicContact CG2-CB 3.94Å; T795-A814 WeakPolarHBondContact O-CB 3.23Å; T795-A814 PolarHBondContact O-N 2.78Å
796	Y	93.8	Very high	86.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	159.3	-176.5	56	-107.4	0	0	0	111	P86 S368 M369 P370 V450 R452 E812 F813	P86-Y796 VanDerWaalsContact CG-OH 3.24Å; P86-Y796 WeakPolarHBondContact CG-OH 3.21Å; S368-Y796 WeakPolarHBondContact O-CE1 3.13Å; S368-Y796 PolarHBondContact O-OH 2.96Å; M369-Y796 VanDerWaalsContact C-OH 3.26Å; M369-Y796 PolarHBondContact O-OH 3.15Å; P370-Y796 HydrophobicContact CB-CD2 4.19Å; P370-Y796 HydrophobicContact CB-CE2 3.83Å; V450-Y796 HydrophobicContact CG1-CE2 4.26Å; R452-Y796 HydrophobicContact CB-CD1 4.25Å; R452-Y796 HydrophobicContact CB-CD2 4.06Å; R452-Y796 HydrophobicContact CB-CE1 3.82Å; R452-Y796 HydrophobicContact CB-CE2 3.56Å; R452-Y796 HydrophobicContact CB-CG 4.36Å; R452-Y796 VanDerWaalsContact CB-CZ 3.43Å; R452-Y796 WeakPolarHBondContact CD-OH 3.36Å; R452-Y796 HydrophobicContact CG-CE1 4.29Å; R452-Y796 PolarHBondContact N-O 3.48Å; R452-Y796 PolarHBondContact O-N 3.09Å; Y796-E812 VanDerWaalsContact CA-O 3.25Å; Y796-E812 WeakPolarHBondContact CA-O 3.12Å; Y796-F813 HydrophobicContact CD1-CD1 4.12Å; Y796-F813 AromaticContact CD1-CE1 3.69Å; Y796-F813 HydrophobicContact CD1-CE1 3.69Å; Y796-F813 HydrophobicContact CD1-CZ 4.48Å; Y796-F813 HydrophobicContact CG-CD1 4.37Å; Y796-F813 HydrophobicContact CG-CE1 4.11Å
797	W	95.8	Very high	86.9	Confident	13 Å²	13	40.3 Å²	40.3	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.9	169.3	-56.3	-83.8	0	0	0	107.3	L449 V450 T795 E812 A814 L849 R853	L449-W797 HydrophobicContact CD1-CB 4.1Å; V450-W797 CarbonylContact O-C 3.59Å; V450-W797 WeakPolarHBondContact O-CA 3.37Å; T795-W797 HydrophobicContact CG2-CH2 3.67Å; T795-W797 HydrophobicContact CG2-CZ2 3.84Å; T795-W797 HydrophobicContact CG2-CZ3 4.37Å; W797-E812 PolarHBondContact N-O 3.23Å; W797-E812 PolarHBondContact O-N 2.98Å; W797-A814 HydrophobicContact CH2-CB 4.42Å; W797-A814 HydrophobicContact CZ3-CB 4.26Å; W797-L849 HydrophobicContact CB-CD1 3.94Å; W797-L849 HydrophobicContact CB-CD2 4.25Å; W797-L849 HydrophobicContact CB-CG 4.28Å; W797-L849 WeakPolarHBondContact O-CD2 3.48Å; W797-R853 HydrophobicContact CG-CG 4.32Å; W797-R853 VanDerWaalsContact CH2-NH2 3.27Å
798	C	97.4	Very high	87.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.6	179.9	-51.8	0	0	0	0	111.9	P370 L449 V450 L809 F810 C811	P370-C798 WeakPolarHBondContact CB-SG 3.36Å; L449-C798 CarbonylContact C-O 3.52Å; L449-C798 WeakPolarHBondContact CA-O 3.4Å; V450-C798 HydrophobicContact CB-CB 4.26Å; V450-C798 PolarHBondContact N-O 2.93Å; V450-C798 PolarHBondContact O-N 3.37Å; C798-L809 HydrophobicContact CB-CD1 3.71Å; C798-F810 CarbonylContact C-O 3.58Å; C798-F810 WeakPolarHBondContact CA-O 3.49Å; C798-F810 VanDerWaalsContact CB-O 3.23Å; C798-F810 WeakPolarHBondContact CB-O 3.39Å; C798-C811 HydrophobicContact CB-CB 4.01Å; C798-C811 WeakPolarHBondContact CB-SG 3.46Å; C798-C811 VanDerWaalsContact SG-CA 3.56Å; C798-C811 WeakPolarHBondContact SG-CB 3.4Å; C798-C811 CovalentContact SG-SG 2.04Å; C798-C811 PolarHBondContact SG-SG 3.2Å
799	L	96.6	Very high	88.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.4	171.4	178	68.2	0	0	0	107.9	F808 F810 L845 Q848 L849 L852	L799-F808 HydrophobicContact CD2-CE2 4.08Å; L799-F808 HydrophobicContact CD2-CZ 4.4Å; L799-F808 HydrophobicContact CG-CE2 4.23Å; L799-F810 HydrophobicContact CB-CB 4.41Å; L799-F810 HydrophobicContact CB-CD1 4.46Å; L799-F810 PolarHBondContact N-O 2.98Å; L799-F810 PolarHBondContact O-N 3.44Å; L799-L845 HydrophobicContact CD2-CD2 3.79Å; L799-Q848 HydrophobicContact CD1-CG 4.01Å; L799-Q848 HydrophobicContact CD2-CB 4.13Å; L799-Q848 HydrophobicContact CD2-CG 4.05Å; L799-L849 HydrophobicContact CB-CB 4.44Å; L799-L849 HydrophobicContact CB-CD1 4.2Å; L799-L852 HydrophobicContact CD1-CD1 3.6Å
800	R	96.7	Very high	89.1	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.9	171.3	-174.9	71.4	178.8	91	3.7	108.4	E372 S447 F448 N807 F808 L809	E372-R800 IonicContact OE1-CZ 3.79Å; E372-R800 VanDerWaalsContact OE1-CZ 3.24Å; E372-R800 IonicContact OE1-NE 3.18Å; E372-R800 PolarHBondContact OE1-NE 3.07Å; E372-R800 IonicContact OE1-NH2 2.7Å; E372-R800 PolarHBondContact OE1-NH2 3.24Å; E372-R800 IonicContact OE2-NH2 3.55Å; S447-R800 CarbonylContact C-O 3.32Å; S447-R800 WeakPolarHBondContact CA-O 3.07Å; F448-R800 HydrophobicContact CD1-CB 4.01Å; F448-R800 HydrophobicContact CD1-CG 4.31Å; F448-R800 HydrophobicContact CE1-CB 3.55Å; F448-R800 HydrophobicContact CE1-CG 3.46Å; F448-R800 VanDerWaalsContact CE1-CG 3.46Å; F448-R800 HydrophobicContact CE2-CB 4.26Å; F448-R800 HydrophobicContact CZ-CB 3.67Å; F448-R800 HydrophobicContact CZ-CG 3.68Å; F448-R800 PolarHBondContact N-O 3.22Å; F448-R800 PolarHBondContact O-N 3.4Å; R800-N807 PolarHBondContact NH1-OD1 3.5Å; R800-N807 PolarHBondContact NH2-OD1 2.96Å; R800-F808 WeakPolarHBondContact CD-O 3.27Å; R800-F808 PolarHBondContact NH1-O 3.18Å; R800-L809 HydrophobicContact CB-CD1 4.15Å
801	T	95	Very high	90	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.6	-177.6	-63.8	0	0	0	0	110.1	D446 S447 H806 N807 F808	D446-T801 CarbonylContact O-C 3.38Å; D446-T801 VanDerWaalsContact O-CA 3.3Å; D446-T801 WeakPolarHBondContact O-CA 3.2Å; D446-T801 WeakPolarHBondContact O-CG2 3.39Å; S447-T801 WeakPolarHBondContact CB-OG1 3.22Å; S447-T801 PolarHBondContact OG-OG1 3.23Å; T801-H806 HydrophobicContact CG2-CB 4.19Å; T801-N807 CarbonylContact O-C 3.5Å; T801-N807 WeakPolarHBondContact O-CA 3.46Å; T801-F808 VanDerWaalsContact CB-CZ 3.49Å; T801-F808 HydrophobicContact CG2-CD1 4.32Å; T801-F808 HydrophobicContact CG2-CE1 3.76Å; T801-F808 HydrophobicContact CG2-CZ 3.94Å; T801-F808 PolarHBondContact N-O 3.39Å; T801-F808 PolarHBondContact O-N 3.17Å; T801-F808 WeakPolarHBondContact OG1-CE2 3.49Å; T801-F808 WeakPolarHBondContact OG1-CZ 3.44Å
802	I	93.2	Very high	90.9	Very high	27 Å²	27	39.6 Å²	39.6	14%	0.138	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	115.6	172.5	-51.6	180	0	0	0	108.2	N80 F82 M395 D446 H806	N80-I802 HydrophobicContact CB-CD1 4.35Å; F82-I802 HydrophobicContact CE2-CD1 3.66Å; F82-I802 HydrophobicContact CZ-CD1 3.61Å; M395-I802 HydrophobicContact CE-CB 4.28Å; M395-I802 HydrophobicContact CG-CB 4.15Å; M395-I802 HydrophobicContact CG-CD1 4.17Å; M395-I802 HydrophobicContact CG-CG1 4.46Å; M395-I802 HydrophobicContact SD-CB 3.73Å; M395-I802 HydrophobicContact SD-CD1 3.79Å; M395-I802 HydrophobicContact SD-CG1 3.7Å; D446-I802 PolarHBondContact O-N 3.06Å; I802-H806 CarbonylContact C-O 3.49Å; I802-H806 WeakPolarHBondContact CA-O 3.41Å
803	N	88.3	Confident	92.1	Very high	49 Å²	49	34.2 Å²	34.2	26%	0.262	18%	0.175	S	C	.	.	S	Bend	trans	-148.2	-172	169.8	65.6	46.7	0	0	0	110.4	D446 T805 H806	D446-N803 HydrophobicContact CB-CB 4.06Å; D446-N803 VanDerWaalsContact OD2-CB 3.25Å; D446-N803 WeakPolarHBondContact OD2-CB 3.37Å; N803-T805 PolarHBondContact O-N 3.12Å; N803-T805 PolarHBondContact OD1-N 3.35Å; N803-T805 PolarHBondContact OD1-OG1 2.85Å; N803-H806 PolarHBondContact N-O 3.4Å; N803-H806 PolarHBondContact OD1-N 2.93Å
804	E	85.4	Confident	93	Very high	202 Å²	202	31.8 Å²	31.8	94%	0.944	17%	0.169	S	C	*	.	S	Bend	trans	-60.6	-14.9	-177.4	-60.8	177.5	172.7	0	0	114.9
805	T	87.1	Confident	93.1	Very high	113 Å²	113	35.2 Å²	35.2	69%	0.693	19%	0.191	S	C	*	.	S	Bend	trans	-129	-17.8	-172.5	57.2	0	0	0	0	114.6	N803	N803-T805 PolarHBondContact O-N 3.12Å; N803-T805 PolarHBondContact OD1-N 3.35Å; N803-T805 PolarHBondContact OD1-OG1 2.85Å
806	H	91.1	Very high	92.8	Very high	93 Å²	93	37.5 Å²	37.5	43%	0.431	22%	0.218	S	C	.	.			trans	-139.8	129.9	-173	-69	79.8	0	0	0	110.8	T801 I802 N803 F808	T801-H806 HydrophobicContact CG2-CB 4.19Å; I802-H806 CarbonylContact C-O 3.49Å; I802-H806 WeakPolarHBondContact CA-O 3.41Å; N803-H806 PolarHBondContact N-O 3.4Å; N803-H806 PolarHBondContact OD1-N 2.93Å; H806-F808 HydrophobicContact CB-CD1 3.96Å; H806-F808 HydrophobicContact CB-CE1 4.06Å; H806-F808 AromaticContact CD2-CE1 3.97Å
807	N	95.9	Very high	92.7	Very high	39 Å²	39	40 Å²	40	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	73.5	175.3	173.4	31	0	0	0	110	R800 T801 L823	R800-N807 PolarHBondContact NH1-OD1 3.5Å; R800-N807 PolarHBondContact NH2-OD1 2.96Å; T801-N807 CarbonylContact O-C 3.5Å; T801-N807 WeakPolarHBondContact O-CA 3.46Å; N807-L823 PolarHBondContact ND2-O 3.06Å; N807-L823 WeakPolarHBondContact O-CB 3.43Å; N807-L823 PolarHBondContact O-N 3.01Å
808	F	96.8	Very high	92.7	Very high	14 Å²	14	41.7 Å²	41.7	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.6	-173.3	67.6	-107.3	0	0	0	114.1	L799 R800 T801 H806 F810 Y820 F821 L845	L799-F808 HydrophobicContact CD2-CE2 4.08Å; L799-F808 HydrophobicContact CD2-CZ 4.4Å; L799-F808 HydrophobicContact CG-CE2 4.23Å; R800-F808 WeakPolarHBondContact CD-O 3.27Å; R800-F808 PolarHBondContact NH1-O 3.18Å; T801-F808 VanDerWaalsContact CB-CZ 3.49Å; T801-F808 HydrophobicContact CG2-CD1 4.32Å; T801-F808 HydrophobicContact CG2-CE1 3.76Å; T801-F808 HydrophobicContact CG2-CZ 3.94Å; T801-F808 PolarHBondContact N-O 3.39Å; T801-F808 PolarHBondContact O-N 3.17Å; T801-F808 WeakPolarHBondContact OG1-CE2 3.49Å; T801-F808 WeakPolarHBondContact OG1-CZ 3.44Å; H806-F808 HydrophobicContact CB-CD1 3.96Å; H806-F808 HydrophobicContact CB-CE1 4.06Å; H806-F808 AromaticContact CD2-CE1 3.97Å; F808-F810 HydrophobicContact CD2-CB 4.39Å; F808-F810 HydrophobicContact CE2-CB 4.4Å; F808-Y820 HydrophobicContact CB-CE2 3.62Å; F808-Y820 WeakPolarHBondContact CB-OH 3.41Å; F808-Y820 HydrophobicContact CD1-CE2 4.32Å; F808-Y820 AromaticContact CD2-CE2 3.78Å; F808-Y820 HydrophobicContact CD2-CE2 3.78Å; F808-Y820 AromaticContact CG-CE2 3.67Å; F808-Y820 HydrophobicContact CG-CE2 3.67Å; F808-F821 CarbonylContact C-O 3.51Å; F808-F821 VanDerWaalsContact CA-O 3.22Å; F808-F821 WeakPolarHBondContact CA-O 3.32Å; F808-F821 WeakPolarHBondContact CB-O 3.49Å; F808-L845 HydrophobicContact CE1-CD2 4.4Å; F808-L845 HydrophobicContact CE2-CD2 3.6Å; F808-L845 HydrophobicContact CZ-CD2 3.44Å; F808-L845 VanDerWaalsContact CZ-CD2 3.44Å
809	L	97.8	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	121	164.6	176.3	67.2	0	0	0	108.8	P370 C798 R800 Y820 F821 L823 Q829	P370-L809 WeakPolarHBondContact O-CD2 3.2Å; C798-L809 HydrophobicContact CB-CD1 3.71Å; R800-L809 HydrophobicContact CB-CD1 4.15Å; L809-Y820 WeakPolarHBondContact O-CA 3.2Å; L809-F821 HydrophobicContact CD2-CD2 4.37Å; L809-F821 PolarHBondContact N-O 3.41Å; L809-F821 PolarHBondContact O-N 3.12Å; L809-L823 HydrophobicContact CB-CD1 3.92Å; L809-Q829 VanDerWaalsContact CD2-NE2 3.26Å
810	F	97.7	Very high	92.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133	171	173.9	-110	0	0	0	109.5	C798 L799 F808 E812 L818 E819 Y820 L842 L845 L849	C798-F810 CarbonylContact C-O 3.58Å; C798-F810 WeakPolarHBondContact CA-O 3.49Å; C798-F810 VanDerWaalsContact CB-O 3.23Å; C798-F810 WeakPolarHBondContact CB-O 3.39Å; L799-F810 HydrophobicContact CB-CB 4.41Å; L799-F810 HydrophobicContact CB-CD1 4.46Å; L799-F810 PolarHBondContact N-O 2.98Å; L799-F810 PolarHBondContact O-N 3.44Å; F808-F810 HydrophobicContact CD2-CB 4.39Å; F808-F810 HydrophobicContact CE2-CB 4.4Å; F810-E812 HydrophobicContact CE1-CG 3.81Å; F810-E812 WeakPolarHBondContact CE1-OE1 3.42Å; F810-E812 HydrophobicContact CZ-CG 3.91Å; F810-L818 HydrophobicContact CZ-CD2 4.38Å; F810-E819 CarbonylContact C-O 3.58Å; F810-E819 WeakPolarHBondContact CA-O 3.49Å; F810-Y820 HydrophobicContact CB-CD2 4.06Å; F810-Y820 HydrophobicContact CD2-CD2 4.26Å; F810-L842 HydrophobicContact CE2-CD2 4.04Å; F810-L845 HydrophobicContact CB-CD1 4.34Å; F810-L845 HydrophobicContact CD1-CB 3.72Å; F810-L845 HydrophobicContact CD2-CB 4.49Å; F810-L845 HydrophobicContact CD2-CD1 4.06Å; F810-L845 HydrophobicContact CE1-CB 3.82Å; F810-L845 HydrophobicContact CG-CB 4.06Å; F810-L845 HydrophobicContact CG-CD1 4.07Å; F810-L845 HydrophobicContact CZ-CB 4.27Å; F810-L849 HydrophobicContact CD1-CD2 4.27Å; F810-L849 HydrophobicContact CE1-CD2 4.09Å
811	C	97.1	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.8	-176.1	-75.9	0	0	0	0	113.2	P370 C798 F813 L818 E819	P370-C811 VanDerWaalsContact CB-SG 3.57Å; C798-C811 HydrophobicContact CB-CB 4.01Å; C798-C811 WeakPolarHBondContact CB-SG 3.46Å; C798-C811 VanDerWaalsContact SG-CA 3.56Å; C798-C811 WeakPolarHBondContact SG-CB 3.4Å; C798-C811 CovalentContact SG-SG 2.04Å; C798-C811 PolarHBondContact SG-SG 3.2Å; C811-F813 HydrophobicContact CB-CD2 4.48Å; C811-F813 HydrophobicContact CB-CE2 3.85Å; C811-L818 WeakPolarHBondContact O-CA 3.21Å; C811-E819 HydrophobicContact CB-CB 4.21Å; C811-E819 PolarHBondContact N-O 3.09Å; C811-E819 PolarHBondContact O-N 3Å
812	E	95.3	Very high	92.8	Very high	25 Å²	25	44.8 Å²	44.8	12%	0.117	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.3	169.3	-64.2	-170.6	-169.2	0	0	110.9	Y796 W797 F810 L818 H846 L849	Y796-E812 VanDerWaalsContact CA-O 3.25Å; Y796-E812 WeakPolarHBondContact CA-O 3.12Å; W797-E812 PolarHBondContact N-O 3.23Å; W797-E812 PolarHBondContact O-N 2.98Å; F810-E812 HydrophobicContact CE1-CG 3.81Å; F810-E812 WeakPolarHBondContact CE1-OE1 3.42Å; F810-E812 HydrophobicContact CZ-CG 3.91Å; E812-L818 HydrophobicContact CB-CD2 4.42Å; E812-L818 HydrophobicContact CG-CD2 3.73Å; E812-H846 VanDerWaalsContact CD-ND1 3.32Å; E812-H846 IonicContact OE1-CE1 2.7Å; E812-H846 IonicContact OE1-CG 3.42Å; E812-H846 IonicContact OE1-ND1 3.51Å; E812-H846 PolarHBondContact OE1-ND1 2.83Å; E812-H846 IonicContact OE2-CE1 3.65Å; E812-H846 IonicContact OE2-ND1 3.54Å; E812-H846 PolarHBondContact OE2-ND1 3.27Å; E812-L849 HydrophobicContact CB-CD2 3.91Å; E812-L849 HydrophobicContact CG-CD2 3.58Å
813	F	92.4	Very high	92.9	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	146.3	174.5	-67.7	-97.6	0	0	0	110.5	H259 P370 Y796 C811 T815 G816 F817 E819	H259-F813 HydrophobicContact CB-CD1 3.69Å; H259-F813 HydrophobicContact CB-CD2 3.96Å; H259-F813 HydrophobicContact CB-CE1 3.5Å; H259-F813 HydrophobicContact CB-CE2 3.79Å; H259-F813 HydrophobicContact CB-CG 3.92Å; H259-F813 HydrophobicContact CB-CZ 3.56Å; H259-F813 AromaticContact CD2-CE1 3.51Å; H259-F813 AromaticContact CE1-CE1 3.9Å; H259-F813 AromaticContact CE1-CZ 3.86Å; H259-F813 AromaticContact CG-CD1 3.92Å; H259-F813 AromaticContact CG-CE1 3.26Å; H259-F813 AromaticContact CG-CZ 3.4Å; H259-F813 AromaticContact ND1-CE1 3.55Å; H259-F813 AromaticContact ND1-CZ 3.26Å; H259-F813 VanDerWaalsContact ND1-CZ 3.26Å; H259-F813 WeakPolarHBondContact ND1-CZ 3.44Å; H259-F813 AromaticContact NE2-CE1 3.91Å; P370-F813 HydrophobicContact CG-CZ 4.04Å; Y796-F813 HydrophobicContact CD1-CD1 4.12Å; Y796-F813 AromaticContact CD1-CE1 3.69Å; Y796-F813 HydrophobicContact CD1-CE1 3.69Å; Y796-F813 HydrophobicContact CD1-CZ 4.48Å; Y796-F813 HydrophobicContact CG-CD1 4.37Å; Y796-F813 HydrophobicContact CG-CE1 4.11Å; C811-F813 HydrophobicContact CB-CD2 4.48Å; C811-F813 HydrophobicContact CB-CE2 3.85Å; F813-T815 PolarHBondContact O-N 3.25Å; F813-G816 PolarHBondContact O-N 3.28Å; F813-F817 HydrophobicContact CB-CB 4.38Å; F813-F817 PolarHBondContact N-O 3.18Å; F813-E819 HydrophobicContact CE2-CB 4.39Å; F813-E819 VanDerWaalsContact CE2-CD 3.46Å; F813-E819 HydrophobicContact CE2-CG 3.86Å
814	A	87.6	Confident	93.2	Very high	51 Å²	51	45.5 Å²	45.5	42%	0.421	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.1	177.8	0	0	0	0	0	114.7	T795 W797 G816	T795-A814 HydrophobicContact CG2-CB 3.94Å; T795-A814 WeakPolarHBondContact O-CB 3.23Å; T795-A814 PolarHBondContact O-N 2.78Å; W797-A814 HydrophobicContact CH2-CB 4.42Å; W797-A814 HydrophobicContact CZ3-CB 4.26Å; A814-G816 VanDerWaalsContact C-N 3.32Å
815	T	83.7	Confident	93.7	Very high	78 Å²	78	41.5 Å²	41.5	48%	0.479	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.7	168	54.9	0	0	0	0	113.6	F813 F817	F813-T815 PolarHBondContact O-N 3.25Å; T815-F817 VanDerWaalsContact C-N 3.31Å
816	G	85.4	Confident	94.1	Very high	67 Å²	67	37.2 Å²	37.2	69%	0.691	23%	0.226	S	C	*	.	S	Bend	trans	74.8	19.8	-169	0	0	0	0	0	113.5	F813 A814	F813-G816 PolarHBondContact O-N 3.28Å; A814-G816 VanDerWaalsContact C-N 3.32Å
817	F	90.9	Very high	94.3	Very high	52 Å²	52	35.9 Å²	35.9	23%	0.228	23%	0.226	C	C	.	.			trans	-92.9	145.5	173.9	-167.1	-108.9	0	0	0	110.8	D257 K258 H259 F813 T815 E819	D257-F817 VanDerWaalsContact O-CE1 3.31Å; D257-F817 WeakPolarHBondContact O-CE1 3.47Å; D257-F817 WeakPolarHBondContact O-CZ 3.1Å; K258-F817 VanDerWaalsContact C-CE1 3.48Å; H259-F817 HydrophobicContact CB-CD1 4.19Å; F813-F817 HydrophobicContact CB-CB 4.38Å; F813-F817 PolarHBondContact N-O 3.18Å; T815-F817 VanDerWaalsContact C-N 3.31Å; F817-E819 HydrophobicContact CD1-CG 4.18Å; F817-E819 HydrophobicContact CE1-CG 3.79Å
818	L	94.9	Very high	94.3	Very high	50 Å²	50	38.1 Å²	38.1	26%	0.262	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.9	-174.5	-53.5	179.2	0	0	0	110.1	F810 C811 E812 N832 V834	F810-L818 HydrophobicContact CZ-CD2 4.38Å; C811-L818 WeakPolarHBondContact O-CA 3.21Å; E812-L818 HydrophobicContact CB-CD2 4.42Å; E812-L818 HydrophobicContact CG-CD2 3.73Å; L818-N832 PolarHBondContact O-ND2 3.19Å; L818-V834 HydrophobicContact CB-CG2 3.83Å; L818-V834 HydrophobicContact CD1-CG2 4.4Å
819	E	96.8	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	140.7	168.9	-65.3	173.7	-175.2	0	0	110.2	K258 H259 Y371 F810 C811 F813 F817 F821 N832	K258-E819 WeakPolarHBondContact CA-OE1 3.29Å; H259-E819 WeakPolarHBondContact CB-OE1 3.44Å; H259-E819 IonicContact CG-OE1 3.19Å; H259-E819 PolarHBondContact N-OE1 3.19Å; H259-E819 IonicContact ND1-OE1 3.47Å; H259-E819 PolarHBondContact ND1-OE1 3.21Å; H259-E819 IonicContact ND1-OE2 3.47Å; Y371-E819 WeakPolarHBondContact CE1-OE2 3.26Å; Y371-E819 PolarHBondContact OH-OE1 2.96Å; Y371-E819 PolarHBondContact OH-OE2 2.84Å; F810-E819 CarbonylContact C-O 3.58Å; F810-E819 WeakPolarHBondContact CA-O 3.49Å; C811-E819 HydrophobicContact CB-CB 4.21Å; C811-E819 PolarHBondContact N-O 3.09Å; C811-E819 PolarHBondContact O-N 3Å; F813-E819 HydrophobicContact CE2-CB 4.39Å; F813-E819 VanDerWaalsContact CE2-CD 3.46Å; F813-E819 HydrophobicContact CE2-CG 3.86Å; F817-E819 HydrophobicContact CD1-CG 4.18Å; F817-E819 HydrophobicContact CE1-CG 3.79Å; E819-F821 HydrophobicContact CB-CE2 3.68Å; E819-F821 HydrophobicContact CB-CZ 4.01Å; E819-F821 HydrophobicContact CG-CE2 4.38Å; E819-F821 HydrophobicContact CG-CZ 4.33Å; E819-N832 WeakPolarHBondContact CA-OD1 3.43Å
820	Y	97.6	Very high	94.2	Very high	21 Å²	21	39.3 Å²	39.3	8%	0.082	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133	170.4	179.6	-96.3	0	0	0	110.3	F808 L809 F810 D822 N832 A833 L837 L845	F808-Y820 HydrophobicContact CB-CE2 3.62Å; F808-Y820 WeakPolarHBondContact CB-OH 3.41Å; F808-Y820 HydrophobicContact CD1-CE2 4.32Å; F808-Y820 AromaticContact CD2-CE2 3.78Å; F808-Y820 HydrophobicContact CD2-CE2 3.78Å; F808-Y820 AromaticContact CG-CE2 3.67Å; F808-Y820 HydrophobicContact CG-CE2 3.67Å; L809-Y820 WeakPolarHBondContact O-CA 3.2Å; F810-Y820 HydrophobicContact CB-CD2 4.06Å; F810-Y820 HydrophobicContact CD2-CD2 4.26Å; Y820-D822 HydrophobicContact CE1-CB 4.43Å; Y820-N832 PolarHBondContact N-OD1 3.34Å; Y820-N832 PolarHBondContact O-OD1 3.02Å; Y820-A833 HydrophobicContact CD1-CB 4.16Å; Y820-A833 PolarHBondContact O-N 3.1Å; Y820-L837 HydrophobicContact CD1-CD1 3.77Å; Y820-L837 HydrophobicContact CD1-CD2 4.3Å; Y820-L837 HydrophobicContact CD1-CG 4.06Å; Y820-L837 HydrophobicContact CD2-CD1 3.62Å; Y820-L837 HydrophobicContact CE1-CD1 4.08Å; Y820-L837 HydrophobicContact CE1-CD2 3.96Å; Y820-L837 HydrophobicContact CE1-CG 4.24Å; Y820-L837 HydrophobicContact CE2-CD1 3.91Å; Y820-L837 HydrophobicContact CG-CD1 3.54Å; Y820-L837 HydrophobicContact CG-CG 4.32Å; Y820-L845 HydrophobicContact CD2-CD1 4.29Å; Y820-L845 HydrophobicContact CE2-CD1 4.27Å
821	F	97.6	Very high	93.9	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133	175.9	-50.4	-79.7	0	0	0	109.5	Y371 F808 L809 E819 L823 Q829 I831 N832	Y371-F821 HydrophobicContact CD1-CE2 4.35Å; Y371-F821 AromaticContact CE1-CE2 3.8Å; Y371-F821 HydrophobicContact CE1-CE2 3.8Å; Y371-F821 AromaticContact CE1-CZ 3.98Å; Y371-F821 HydrophobicContact CE1-CZ 3.98Å; F808-F821 CarbonylContact C-O 3.51Å; F808-F821 VanDerWaalsContact CA-O 3.22Å; F808-F821 WeakPolarHBondContact CA-O 3.32Å; F808-F821 WeakPolarHBondContact CB-O 3.49Å; L809-F821 HydrophobicContact CD2-CD2 4.37Å; L809-F821 PolarHBondContact N-O 3.41Å; L809-F821 PolarHBondContact O-N 3.12Å; E819-F821 HydrophobicContact CB-CE2 3.68Å; E819-F821 HydrophobicContact CB-CZ 4.01Å; E819-F821 HydrophobicContact CG-CE2 4.38Å; E819-F821 HydrophobicContact CG-CZ 4.33Å; F821-L823 HydrophobicContact CB-CD1 4.35Å; F821-Q829 HydrophobicContact CB-CB 4.47Å; F821-Q829 HydrophobicContact CB-CG 4.27Å; F821-Q829 HydrophobicContact CD1-CB 3.87Å; F821-Q829 HydrophobicContact CD2-CB 4.28Å; F821-Q829 HydrophobicContact CE1-CB 4.16Å; F821-Q829 WeakPolarHBondContact CE1-O 3.43Å; F821-Q829 HydrophobicContact CG-CB 3.94Å; F821-Q829 HydrophobicContact CG-CG 4.21Å; F821-Q829 HydrophobicContact CZ-CB 4.48Å; F821-I831 WeakPolarHBondContact CD1-O 3.35Å; F821-N832 HydrophobicContact CE1-CB 4.16Å; F821-N832 HydrophobicContact CZ-CB 4.42Å
822	D	96.3	Very high	93.9	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.3	164.5	-171.6	-26.7	0	0	0	108.5	Y820 S824 T825 D826	Y820-D822 HydrophobicContact CE1-CB 4.43Å; D822-S824 PolarHBondContact O-N 2.8Å; D822-S824 WeakPolarHBondContact OD1-CB 3.42Å; D822-S824 PolarHBondContact OD1-N 3.06Å; D822-S824 PolarHBondContact OD1-OG 3.03Å; D822-T825 PolarHBondContact O-N 2.76Å; D822-T825 PolarHBondContact O-OG1 2.78Å; D822-D826 PolarHBondContact O-N 3.17Å
823	L	95.6	Very high	93.8	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	1.2	-175.1	-63.4	90.2	0	0	0	112.6	E372 N807 L809 F821 Q829	E372-L823 HydrophobicContact CG-CD2 3.27Å; N807-L823 PolarHBondContact ND2-O 3.06Å; N807-L823 WeakPolarHBondContact O-CB 3.43Å; N807-L823 PolarHBondContact O-N 3.01Å; L809-L823 HydrophobicContact CB-CD1 3.92Å; F821-L823 HydrophobicContact CB-CD1 4.35Å; L823-Q829 HydrophobicContact CD2-CG 4.21Å; L823-Q829 HydrophobicContact CG-CG 4.37Å
824	S	94.9	Very high	93.8	Very high	79 Å²	79	46.4 Å²	46.4	55%	0.552	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-32.5	165.4	-33.4	0	0	0	0	111.1	D822	D822-S824 PolarHBondContact O-N 2.8Å; D822-S824 WeakPolarHBondContact OD1-CB 3.42Å; D822-S824 PolarHBondContact OD1-N 3.06Å; D822-S824 PolarHBondContact OD1-OG 3.03Å
825	T	95.3	Very high	94	Very high	117 Å²	117	49.3 Å²	49.3	72%	0.718	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-32.9	-177.5	52.4	0	0	0	0	113.4	D822	D822-T825 PolarHBondContact O-N 2.76Å; D822-T825 PolarHBondContact O-OG1 2.78Å
826	D	95.9	Very high	94.3	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.123	31%	0.308	C	S	.	.			trans	-126.6	71.4	179.9	-177.3	14.3	0	0	0	110.5	D822 Y828 Q829 L830 I831	D822-D826 PolarHBondContact O-N 3.17Å; D826-Y828 PolarHBondContact O-N 3.33Å; D826-Q829 PolarHBondContact O-N 3.16Å; D826-Q829 VanDerWaalsContact O-N 3.15Å; D826-Q829 PolarHBondContact OD1-N 3.23Å; D826-Q829 VanDerWaalsContact OD2-C 3.22Å; D826-Q829 WeakPolarHBondContact OD2-CA 3.5Å; D826-L830 VanDerWaalsContact CG-N 3.25Å; D826-L830 PolarHBondContact OD1-N 2.96Å; D826-L830 PolarHBondContact OD2-N 3.09Å; D826-I831 PolarHBondContact OD2-N 3.4Å
827	P	94.9	Very high	94.6	Very high	66 Å²	66	48.6 Å²	48.6	43%	0.429	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.4	-178.3	26.9	-35.4	0	0	0	113.5
828	Y	95.4	Very high	94.6	Very high	86 Å²	86	50.4 Å²	50.4	34%	0.337	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4.7	178.3	-62	-72.1	0	0	0	113.5	T247 P248 F361 D826 L830	T247-Y828 HydrophobicContact CG2-CE1 4.04Å; P248-Y828 HydrophobicContact CB-CD2 3.95Å; P248-Y828 HydrophobicContact CB-CE2 4.41Å; P248-Y828 HydrophobicContact CB-CG 4.17Å; P248-Y828 HydrophobicContact CG-CD2 3.65Å; P248-Y828 HydrophobicContact CG-CE2 3.61Å; P248-Y828 HydrophobicContact CG-CG 4.17Å; F361-Y828 WeakPolarHBondContact CZ-O 3.36Å; D826-Y828 PolarHBondContact O-N 3.33Å; Y828-L830 PolarHBondContact O-N 3.1Å
829	Q	96.6	Very high	94.3	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	30%	0.297	C	S	.	.			trans	60.6	32.3	169.6	-51	176.5	-65.4	0	0	113	K258 F361 Y371 L809 F821 L823 D826	K258-Q829 PolarHBondContact NZ-O 2.69Å; F361-Q829 HydrophobicContact CZ-CB 4.36Å; F361-Q829 WeakPolarHBondContact CZ-O 3.24Å; Y371-Q829 HydrophobicContact CD1-CB 4.35Å; L809-Q829 VanDerWaalsContact CD2-NE2 3.26Å; F821-Q829 HydrophobicContact CB-CB 4.47Å; F821-Q829 HydrophobicContact CB-CG 4.27Å; F821-Q829 HydrophobicContact CD1-CB 3.87Å; F821-Q829 HydrophobicContact CD2-CB 4.28Å; F821-Q829 HydrophobicContact CE1-CB 4.16Å; F821-Q829 WeakPolarHBondContact CE1-O 3.43Å; F821-Q829 HydrophobicContact CG-CB 3.94Å; F821-Q829 HydrophobicContact CG-CG 4.21Å; F821-Q829 HydrophobicContact CZ-CB 4.48Å; L823-Q829 HydrophobicContact CD2-CG 4.21Å; L823-Q829 HydrophobicContact CG-CG 4.37Å; D826-Q829 PolarHBondContact O-N 3.16Å; D826-Q829 VanDerWaalsContact O-N 3.15Å; D826-Q829 PolarHBondContact OD1-N 3.23Å; D826-Q829 VanDerWaalsContact OD2-C 3.22Å; D826-Q829 WeakPolarHBondContact OD2-CA 3.5Å
830	L	95.5	Very high	93.9	Very high	36 Å²	36	55.8 Å²	55.8	19%	0.188	32%	0.322	C	S	.	.			trans	-68	-32.1	-175.4	-57.7	-177.5	0	0	0	113.4	P248 Y252 K258 F361 D826 Y828	P248-L830 HydrophobicContact CB-CD1 4.26Å; Y252-L830 HydrophobicContact CD1-CD2 4.35Å; Y252-L830 HydrophobicContact CD2-CD2 4.32Å; Y252-L830 HydrophobicContact CG-CD2 4.17Å; K258-L830 PolarHBondContact NZ-O 3.16Å; F361-L830 HydrophobicContact CE1-CD2 4.2Å; D826-L830 VanDerWaalsContact CG-N 3.25Å; D826-L830 PolarHBondContact OD1-N 2.96Å; D826-L830 PolarHBondContact OD2-N 3.09Å; Y828-L830 PolarHBondContact O-N 3.1Å
831	I	93.3	Very high	93.6	Very high	113 Å²	113	57.4 Å²	57.4	58%	0.579	33%	0.334	S	S	*	.	S	Bend	trans	-127.9	115.9	-173.1	-56.5	178.5	0	0	0	110.5	F821 D826 A833	F821-I831 WeakPolarHBondContact CD1-O 3.35Å; D826-I831 PolarHBondContact OD2-N 3.4Å; I831-A833 PolarHBondContact O-N 2.88Å; I831-A833 VanDerWaalsContact O-N 3.08Å
832	N	95.8	Very high	93.4	Very high	15 Å²	15	59 Å²	59	8%	0.08	34%	0.343	C	S	.	.			trans	-69.1	104.9	172	-178.4	5.8	0	0	0	110.9	D257 L818 E819 Y820 F821 V834	D257-N832 HydrophobicContact CB-CB 4.06Å; D257-N832 WeakPolarHBondContact O-CB 3.43Å; D257-N832 PolarHBondContact O-ND2 3.09Å; D257-N832 VanDerWaalsContact OD2-CB 3.31Å; D257-N832 WeakPolarHBondContact OD2-CB 3.11Å; D257-N832 PolarHBondContact OD2-N 2.78Å; L818-N832 PolarHBondContact O-ND2 3.19Å; E819-N832 WeakPolarHBondContact CA-OD1 3.43Å; Y820-N832 PolarHBondContact N-OD1 3.34Å; Y820-N832 PolarHBondContact O-OD1 3.02Å; F821-N832 HydrophobicContact CE1-CB 4.16Å; F821-N832 HydrophobicContact CZ-CB 4.42Å; N832-V834 VanDerWaalsContact C-N 3.32Å; N832-V834 PolarHBondContact O-N 3.36Å; N832-V834 VanDerWaalsContact OD1-CB 3.3Å; N832-V834 WeakPolarHBondContact OD1-CB 3.09Å; N832-V834 WeakPolarHBondContact OD1-CG1 3.24Å; N832-V834 PolarHBondContact OD1-N 3.14Å; N832-V834 VanDerWaalsContact OD1-N 3.16Å
833	A	94	Very high	93.1	Very high	30 Å²	30	59 Å²	59	25%	0.248	34%	0.343	C	S	.	.			trans	-88.7	15.1	-177.4	0	0	0	0	0	113.8	Y820 I831 S835 S836	Y820-A833 HydrophobicContact CD1-CB 4.16Å; Y820-A833 PolarHBondContact O-N 3.1Å; I831-A833 PolarHBondContact O-N 2.88Å; I831-A833 VanDerWaalsContact O-N 3.08Å; A833-S835 PolarHBondContact O-N 3.03Å; A833-S836 PolarHBondContact O-N 2.96Å; A833-S836 PolarHBondContact O-OG 3.26Å
834	V	92.8	Very high	92.9	Very high	25 Å²	25	64.5 Å²	64.5	15%	0.152	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.6	-177.1	73.4	0	0	0	0	114.2	L818 N832 L842	L818-V834 HydrophobicContact CB-CG2 3.83Å; L818-V834 HydrophobicContact CD1-CG2 4.4Å; N832-V834 VanDerWaalsContact C-N 3.32Å; N832-V834 PolarHBondContact O-N 3.36Å; N832-V834 VanDerWaalsContact OD1-CB 3.3Å; N832-V834 WeakPolarHBondContact OD1-CB 3.09Å; N832-V834 WeakPolarHBondContact OD1-CG1 3.24Å; N832-V834 PolarHBondContact OD1-N 3.14Å; N832-V834 VanDerWaalsContact OD1-N 3.16Å; V834-L842 HydrophobicContact CG2-CD2 3.7Å
835	S	89.9	Confident	92.9	Very high	113 Å²	113	61.3 Å²	61.3	79%	0.79	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.6	177.5	52.6	0	0	0	0	114.9	A833	A833-S835 PolarHBondContact O-N 3.03Å
836	S	90.5	Very high	92.8	Very high	95 Å²	95	58.1 Å²	58.1	66%	0.664	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-10.7	174.8	67.8	0	0	0	0	113.3	A833	A833-S836 PolarHBondContact O-N 2.96Å; A833-S836 PolarHBondContact O-OG 3.26Å
837	L	91.3	Very high	92.6	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.178	34%	0.339	C	S	.	.	S	Bend	trans	-79.5	136.9	175.6	-65.1	-175.4	0	0	0	111.8	Y820 V841 L842 L845	Y820-L837 HydrophobicContact CD1-CD1 3.77Å; Y820-L837 HydrophobicContact CD1-CD2 4.3Å; Y820-L837 HydrophobicContact CD1-CG 4.06Å; Y820-L837 HydrophobicContact CD2-CD1 3.62Å; Y820-L837 HydrophobicContact CE1-CD1 4.08Å; Y820-L837 HydrophobicContact CE1-CD2 3.96Å; Y820-L837 HydrophobicContact CE1-CG 4.24Å; Y820-L837 HydrophobicContact CE2-CD1 3.91Å; Y820-L837 HydrophobicContact CG-CD1 3.54Å; Y820-L837 HydrophobicContact CG-CG 4.32Å; L837-V841 HydrophobicContact CD2-CG1 4.41Å; L837-L842 HydrophobicContact CB-CD1 4.35Å; L837-L842 HydrophobicContact CB-CD2 3.98Å; L837-L842 HydrophobicContact CB-CG 3.88Å; L837-L842 HydrophobicContact CD1-CD2 3.67Å; L837-L842 HydrophobicContact CD1-CG 4.35Å; L837-L842 HydrophobicContact CG-CD2 4.46Å; L837-L845 HydrophobicContact CD1-CD1 3.92Å
838	D	91.1	Very high	92.5	Very high	90 Å²	90	60.6 Å²	60.6	48%	0.481	33%	0.332	S	S	.	.			trans	-66.5	149.8	169	176	50.2	0	0	0	111.8	T840 V841 L842	D838-T840 PolarHBondContact O-N 3.15Å; D838-T840 WeakPolarHBondContact OD2-CB 3.37Å; D838-T840 VanDerWaalsContact OD2-CG2 3.26Å; D838-T840 WeakPolarHBondContact OD2-CG2 3.22Å; D838-T840 PolarHBondContact OD2-N 3Å; D838-T840 PolarHBondContact OD2-OG1 2.85Å; D838-V841 PolarHBondContact O-N 3.02Å; D838-L842 PolarHBondContact O-N 2.72Å
839	R	88.3	Confident	92.4	Very high	78 Å²	78	56.5 Å²	56.5	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-29.4	177.9	-58.5	-165.6	-159.6	148.5	10.6	112.6	N843 W906 D907 W909	R839-N843 WeakPolarHBondContact O-CB 3.15Å; R839-N843 VanDerWaalsContact O-CG 3.23Å; R839-N843 PolarHBondContact O-N 2.76Å; R839-N843 PolarHBondContact O-ND2 2.81Å; R839-W906 WeakPolarHBondContact CD-O 3.29Å; R839-W906 PolarHBondContact NH1-O 2.85Å; R839-D907 IonicContact NH1-OD1 3.75Å; R839-D907 PolarHBondContact NH1-OD1 2.91Å; R839-D907 VanDerWaalsContact NH1-OD1 3.09Å; R839-W909 PolarHBondContact NE-O 2.94Å; R839-W909 PolarHBondContact NH2-O 3.3Å
840	T	89.9	Confident	92.1	Very high	85 Å²	85	60.3 Å²	60.3	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-39.7	176.8	66.2	0	0	0	0	111.6	D838 N843 Q844	D838-T840 PolarHBondContact O-N 3.15Å; D838-T840 WeakPolarHBondContact OD2-CB 3.37Å; D838-T840 VanDerWaalsContact OD2-CG2 3.26Å; D838-T840 WeakPolarHBondContact OD2-CG2 3.22Å; D838-T840 PolarHBondContact OD2-N 3Å; D838-T840 PolarHBondContact OD2-OG1 2.85Å; T840-N843 PolarHBondContact O-N 3.39Å; T840-Q844 WeakPolarHBondContact O-CG 3.49Å; T840-Q844 PolarHBondContact O-N 2.94Å; T840-Q844 VanDerWaalsContact O-N 3.09Å
841	V	91.8	Very high	91.9	Very high	56 Å²	56	64.7 Å²	64.7	34%	0.339	35%	0.354	S	S	.	.	H	α-helix	trans	-67.1	-48.8	175.7	-178.5	0	0	0	0	110.3	L837 D838 N843 Q844 L845	L837-V841 HydrophobicContact CD2-CG1 4.41Å; D838-V841 PolarHBondContact O-N 3.02Å; V841-N843 PolarHBondContact O-N 3.24Å; V841-Q844 WeakPolarHBondContact O-CB 3.46Å; V841-Q844 PolarHBondContact O-N 3.08Å; V841-L845 HydrophobicContact CG1-CD1 4.08Å; V841-L845 HydrophobicContact CG1-CG 4.33Å; V841-L845 WeakPolarHBondContact O-CG 3.29Å; V841-L845 PolarHBondContact O-N 2.81Å
842	L	91.6	Very high	91.9	Very high	34 Å²	34	59.5 Å²	59.5	18%	0.178	33%	0.327	C	S	.	.	H	α-helix	trans	-55	-40	176.1	-70	170.9	0	0	0	112.3	F810 V834 L837 D838 L845 H846	F810-L842 HydrophobicContact CE2-CD2 4.04Å; V834-L842 HydrophobicContact CG2-CD2 3.7Å; L837-L842 HydrophobicContact CB-CD1 4.35Å; L837-L842 HydrophobicContact CB-CD2 3.98Å; L837-L842 HydrophobicContact CB-CG 3.88Å; L837-L842 HydrophobicContact CD1-CD2 3.67Å; L837-L842 HydrophobicContact CD1-CG 4.35Å; L837-L842 HydrophobicContact CG-CD2 4.46Å; D838-L842 PolarHBondContact O-N 2.72Å; L842-L845 PolarHBondContact O-N 2.94Å; L842-H846 WeakPolarHBondContact O-CB 3.25Å; L842-H846 PolarHBondContact O-N 3.19Å
843	N	91	Very high	91.7	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-68.8	-35.3	176.1	-78.3	-40.4	0	0	0	113.7	R839 T840 V841 V847 W906	R839-N843 WeakPolarHBondContact O-CB 3.15Å; R839-N843 VanDerWaalsContact O-CG 3.23Å; R839-N843 PolarHBondContact O-N 2.76Å; R839-N843 PolarHBondContact O-ND2 2.81Å; T840-N843 PolarHBondContact O-N 3.39Å; V841-N843 PolarHBondContact O-N 3.24Å; N843-V847 WeakPolarHBondContact O-CG2 3.29Å; N843-V847 PolarHBondContact O-N 3.38Å; N843-V847 VanDerWaalsContact O-N 3.08Å; N843-W906 PolarHBondContact OD1-NE1 2.81Å
844	Q	91.9	Very high	91.5	Very high	129 Å²	129	62 Å²	62	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-67	-43.9	173.7	-70.2	169.3	22.4	0	0	111.1	T840 V841 V847 Q848	T840-Q844 WeakPolarHBondContact O-CG 3.49Å; T840-Q844 PolarHBondContact O-N 2.94Å; T840-Q844 VanDerWaalsContact O-N 3.09Å; V841-Q844 WeakPolarHBondContact O-CB 3.46Å; V841-Q844 PolarHBondContact O-N 3.08Å; Q844-V847 PolarHBondContact O-N 3.36Å; Q844-Q848 WeakPolarHBondContact O-CB 3.48Å; Q844-Q848 PolarHBondContact O-N 3.07Å
845	L	93.6	Very high	91.5	Very high	11 Å²	11	61 Å²	61	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-43.7	176.1	-63.9	172.8	0	0	0	111.7	L799 F808 F810 Y820 L837 V841 L842 Q848 L849	L799-L845 HydrophobicContact CD2-CD2 3.79Å; F808-L845 HydrophobicContact CE1-CD2 4.4Å; F808-L845 HydrophobicContact CE2-CD2 3.6Å; F808-L845 HydrophobicContact CZ-CD2 3.44Å; F808-L845 VanDerWaalsContact CZ-CD2 3.44Å; F810-L845 HydrophobicContact CB-CD1 4.34Å; F810-L845 HydrophobicContact CD1-CB 3.72Å; F810-L845 HydrophobicContact CD2-CB 4.49Å; F810-L845 HydrophobicContact CD2-CD1 4.06Å; F810-L845 HydrophobicContact CE1-CB 3.82Å; F810-L845 HydrophobicContact CG-CB 4.06Å; F810-L845 HydrophobicContact CG-CD1 4.07Å; F810-L845 HydrophobicContact CZ-CB 4.27Å; Y820-L845 HydrophobicContact CD2-CD1 4.29Å; Y820-L845 HydrophobicContact CE2-CD1 4.27Å; L837-L845 HydrophobicContact CD1-CD1 3.92Å; V841-L845 HydrophobicContact CG1-CD1 4.08Å; V841-L845 HydrophobicContact CG1-CG 4.33Å; V841-L845 WeakPolarHBondContact O-CG 3.29Å; V841-L845 PolarHBondContact O-N 2.81Å; L842-L845 PolarHBondContact O-N 2.94Å; L845-Q848 PolarHBondContact O-N 3.15Å; L845-L849 VanDerWaalsContact O-CB 3.26Å; L845-L849 WeakPolarHBondContact O-CB 3.25Å; L845-L849 PolarHBondContact O-N 2.89Å
846	H	93	Very high	91.8	Very high	50 Å²	50	62 Å²	62	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-48.9	173.9	178.5	71.2	0	0	0	112.2	E812 L842 L849 M850	E812-H846 VanDerWaalsContact CD-ND1 3.32Å; E812-H846 IonicContact OE1-CE1 2.7Å; E812-H846 IonicContact OE1-CG 3.42Å; E812-H846 IonicContact OE1-ND1 3.51Å; E812-H846 PolarHBondContact OE1-ND1 2.83Å; E812-H846 IonicContact OE2-CE1 3.65Å; E812-H846 IonicContact OE2-ND1 3.54Å; E812-H846 PolarHBondContact OE2-ND1 3.27Å; L842-H846 WeakPolarHBondContact O-CB 3.25Å; L842-H846 PolarHBondContact O-N 3.19Å; H846-L849 PolarHBondContact O-N 3.45Å; H846-M850 WeakPolarHBondContact O-CB 3.29Å; H846-M850 VanDerWaalsContact O-CG 3.24Å; H846-M850 WeakPolarHBondContact O-CG 3.32Å; H846-M850 PolarHBondContact O-N 3.18Å
847	V	92.2	Very high	91.9	Very high	80 Å²	80	57.8 Å²	57.8	49%	0.485	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-47	179.4	169.7	0	0	0	0	110.9	N843 Q844 L849 M850 E851	N843-V847 WeakPolarHBondContact O-CG2 3.29Å; N843-V847 PolarHBondContact O-N 3.38Å; N843-V847 VanDerWaalsContact O-N 3.08Å; Q844-V847 PolarHBondContact O-N 3.36Å; V847-L849 VanDerWaalsContact C-N 3.34Å; V847-L849 PolarHBondContact O-N 2.93Å; V847-M850 PolarHBondContact O-N 3.05Å; V847-E851 WeakPolarHBondContact O-CG 3.34Å; V847-E851 PolarHBondContact O-N 3.01Å
848	Q	92.7	Very high	91.8	Very high	61 Å²	61	59 Å²	59	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-62.4	-40	178.6	-173.5	-179.7	-2.6	0	0	112.2	S447 L799 Q844 L845 E851 L852	S447-Q848 PolarHBondContact OG-NE2 2.84Å; S447-Q848 VanDerWaalsContact OG-NE2 3.1Å; L799-Q848 HydrophobicContact CD1-CG 4.01Å; L799-Q848 HydrophobicContact CD2-CB 4.13Å; L799-Q848 HydrophobicContact CD2-CG 4.05Å; Q844-Q848 WeakPolarHBondContact O-CB 3.48Å; Q844-Q848 PolarHBondContact O-N 3.07Å; L845-Q848 PolarHBondContact O-N 3.15Å; Q848-E851 PolarHBondContact O-N 3.15Å; Q848-L852 PolarHBondContact O-N 2.95Å; Q848-L852 VanDerWaalsContact O-N 3.12Å
849	L	93.4	Very high	91.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-41.9	174.6	179.3	59.4	0	0	0	111.9	L449 W797 L799 F810 E812 L845 H846 V847 L852 R853	L449-L849 HydrophobicContact CD1-CD1 3.67Å; W797-L849 HydrophobicContact CB-CD1 3.94Å; W797-L849 HydrophobicContact CB-CD2 4.25Å; W797-L849 HydrophobicContact CB-CG 4.28Å; W797-L849 WeakPolarHBondContact O-CD2 3.48Å; L799-L849 HydrophobicContact CB-CB 4.44Å; L799-L849 HydrophobicContact CB-CD1 4.2Å; F810-L849 HydrophobicContact CD1-CD2 4.27Å; F810-L849 HydrophobicContact CE1-CD2 4.09Å; E812-L849 HydrophobicContact CB-CD2 3.91Å; E812-L849 HydrophobicContact CG-CD2 3.58Å; L845-L849 VanDerWaalsContact O-CB 3.26Å; L845-L849 WeakPolarHBondContact O-CB 3.25Å; L845-L849 PolarHBondContact O-N 2.89Å; H846-L849 PolarHBondContact O-N 3.45Å; V847-L849 VanDerWaalsContact C-N 3.34Å; V847-L849 PolarHBondContact O-N 2.93Å; L849-L852 PolarHBondContact O-N 3.42Å; L849-R853 WeakPolarHBondContact O-CB 3.45Å; L849-R853 PolarHBondContact O-N 2.74Å
850	M	90.9	Very high	91.6	Very high	83 Å²	83	64.8 Å²	64.8	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-33.2	178.6	-71.3	-70.8	-114	0	0	112.8	H846 V847 R853 G854	H846-M850 WeakPolarHBondContact O-CB 3.29Å; H846-M850 VanDerWaalsContact O-CG 3.24Å; H846-M850 WeakPolarHBondContact O-CG 3.32Å; H846-M850 PolarHBondContact O-N 3.18Å; V847-M850 PolarHBondContact O-N 3.05Å; M850-R853 PolarHBondContact SD-NH1 3.14Å; M850-G854 PolarHBondContact O-N 3.39Å
851	E	91.4	Very high	91.7	Very high	128 Å²	128	60.8 Å²	60.8	60%	0.598	30%	0.304	S	S	*	.	H	α-helix	trans	-62.3	-50.1	170.1	-74.5	-175.7	170.3	0	0	111.3	V847 Q848 R853 G854 C855	V847-E851 WeakPolarHBondContact O-CG 3.34Å; V847-E851 PolarHBondContact O-N 3.01Å; Q848-E851 PolarHBondContact O-N 3.15Å; E851-R853 PolarHBondContact O-N 2.96Å; E851-G854 PolarHBondContact O-N 3.34Å; E851-C855 PolarHBondContact O-N 3.19Å
852	L	92.6	Very high	91.3	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-37.9	177.9	-70.6	178.5	0	0	0	112.8	L449 L799 Q848 L849 G854 C855 P863	L449-L852 HydrophobicContact CB-CB 4.13Å; L449-L852 HydrophobicContact CB-CD1 4.44Å; L799-L852 HydrophobicContact CD1-CD1 3.6Å; Q848-L852 PolarHBondContact O-N 2.95Å; Q848-L852 VanDerWaalsContact O-N 3.12Å; L849-L852 PolarHBondContact O-N 3.42Å; L852-G854 PolarHBondContact O-N 3.11Å; L852-C855 WeakPolarHBondContact O-CB 3.43Å; L852-C855 PolarHBondContact O-N 3.04Å; L852-C855 PolarHBondContact O-SG 3.49Å; L852-P863 HydrophobicContact CD2-CG 3.87Å
853	R	91.2	Very high	90.2	Very high	51 Å²	51	60 Å²	60	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-17.6	176.9	-179.3	179.3	170.6	-164.7	0.2	113.8	W797 L849 M850 E851	W797-R853 HydrophobicContact CG-CG 4.32Å; W797-R853 VanDerWaalsContact CH2-NH2 3.27Å; L849-R853 WeakPolarHBondContact O-CB 3.45Å; L849-R853 PolarHBondContact O-N 2.74Å; M850-R853 PolarHBondContact SD-NH1 3.14Å; E851-R853 PolarHBondContact O-N 2.96Å
854	G	90.4	Very high	88.7	Confident	47 Å²	47	65.9 Å²	65.9	49%	0.485	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-2.1	175.7	0	0	0	0	0	115	M850 E851 L852	M850-G854 PolarHBondContact O-N 3.39Å; E851-G854 PolarHBondContact O-N 3.34Å; L852-G854 PolarHBondContact O-N 3.11Å
855	C	93.5	Very high	86.7	Confident	3 Å²	3	62 Å²	62	2%	0.02	31%	0.305	C	S	.	.			trans	-69.6	144.8	-164.7	81.7	0	0	0	0	113.3	H102 N103 E851 L852 Q860 C861	H102-C855 PolarHBondContact NE2-O 3.41Å; H102-C855 VanDerWaalsContact NE2-O 3.08Å; N103-C855 PolarHBondContact ND2-O 3.44Å; E851-C855 PolarHBondContact O-N 3.19Å; L852-C855 WeakPolarHBondContact O-CB 3.43Å; L852-C855 PolarHBondContact O-N 3.04Å; L852-C855 PolarHBondContact O-SG 3.49Å; C855-Q860 HydrophobicContact CB-CB 4.02Å; C855-C861 HydrophobicContact CB-CB 3.95Å; C855-C861 WeakPolarHBondContact CB-SG 3.35Å; C855-C861 WeakPolarHBondContact SG-CA 3.12Å; C855-C861 WeakPolarHBondContact SG-CB 3.32Å; C855-C861 CovalentContact SG-SG 2.04Å; C855-C861 PolarHBondContact SG-SG 3.31Å
856	K	94.4	Very high	84.2	Confident	136 Å²	136	72.1 Å²	72.1	59%	0.591	34%	0.342	S	S	*	.			trans	-139.1	125.5	175.3	-62.8	-171.6	-179.3	177.7	0	112.3	N103 Q860	N103-K856 VanDerWaalsContact OD1-CE 3.26Å; N103-K856 WeakPolarHBondContact OD1-CE 3.24Å; K856-Q860 WeakPolarHBondContact O-CG 3.4Å; K856-Q860 PolarHBondContact O-OE1 3.42Å
857	G	93	Very high	81.6	Confident	6 Å²	6	74.1 Å²	74.1	6%	0.062	36%	0.362	C	S	.	.	S	Bend	trans	74.4	153.7	-175.5	0	0	0	0	0	111.9	P415 M417 D418 K859 Q860 C861	P415-G857 WeakPolarHBondContact O-CA 3.41Å; M417-G857 CarbonylContact O-C 3.56Å; M417-G857 VanDerWaalsContact O-CA 3.31Å; M417-G857 WeakPolarHBondContact O-CA 3.41Å; D418-G857 WeakPolarHBondContact OD1-CA 3.49Å; D418-G857 PolarHBondContact OD1-N 3.19Å; G857-K859 PolarHBondContact O-N 3.28Å; G857-Q860 PolarHBondContact O-N 3.15Å; G857-C861 PolarHBondContact O-N 2.74Å
858	H	89.6	Confident	78.8	Confident	59 Å²	59	73.8 Å²	73.8	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-52.6	-33.1	-173.3	73.8	104.3	0	0	0	113.6	M417 D418 G419 Q860 N862	M417-H858 PolarHBondContact O-N 2.83Å; D418-H858 WeakPolarHBondContact O-CA 3.3Å; G419-H858 VanDerWaalsContact O-CB 3.24Å; G419-H858 WeakPolarHBondContact O-CB 3.35Å; H858-Q860 VanDerWaalsContact C-N 3.29Å; H858-Q860 PolarHBondContact O-N 2.96Å; H858-N862 WeakPolarHBondContact CA-ND2 3.44Å; H858-N862 VanDerWaalsContact O-CB 3.23Å; H858-N862 WeakPolarHBondContact O-CB 3.37Å; H858-N862 PolarHBondContact O-N 3.39Å; H858-N862 PolarHBondContact O-ND2 2.88Å
859	K	86.6	Confident	76	Confident	173 Å²	173	78 Å²	78	75%	0.752	38%	0.379	S	S	*	.	H	α-helix	trans	-65.2	-26.2	179	-60.8	-176.5	-178.2	177	0	114.4	G857	G857-K859 PolarHBondContact O-N 3.28Å
860	Q	89.7	Confident	73.2	Confident	117 Å²	117	85.7 Å²	85.7	55%	0.547	42%	0.42	S	S	.	.	H	α-helix	trans	-97.9	-39.5	176.2	-62.3	-176	-4.2	0	0	111.1	C855 K856 G857 H858 N862	C855-Q860 HydrophobicContact CB-CB 4.02Å; K856-Q860 WeakPolarHBondContact O-CG 3.4Å; K856-Q860 PolarHBondContact O-OE1 3.42Å; G857-Q860 PolarHBondContact O-N 3.15Å; H858-Q860 VanDerWaalsContact C-N 3.29Å; H858-Q860 PolarHBondContact O-N 2.96Å; Q860-N862 PolarHBondContact O-N 3.1Å
861	C	91	Very high	70.4	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-78.8	-2.5	-177.2	-62.8	0	0	0	0	114.9	Y100 D418 C855 G857 P863	Y100-C861 HydrophobicContact CD2-CB 4.35Å; Y100-C861 HydrophobicContact CE2-CB 3.91Å; D418-C861 HydrophobicContact CB-CB 4.01Å; C855-C861 HydrophobicContact CB-CB 3.95Å; C855-C861 WeakPolarHBondContact CB-SG 3.35Å; C855-C861 WeakPolarHBondContact SG-CA 3.12Å; C855-C861 WeakPolarHBondContact SG-CB 3.32Å; C855-C861 CovalentContact SG-SG 2.04Å; C855-C861 PolarHBondContact SG-SG 3.31Å; G857-C861 PolarHBondContact O-N 2.74Å; C861-P863 VanDerWaalsContact C-CD 3.46Å
862	N	83.5	Confident	67.5	Low	25 Å²	25	83.3 Å²	83.3	13%	0.134	44%	0.441	C	S	.	.	S	Bend	trans	-125.7	67.2	174.6	-60	-109.6	0	0	0	109	D418 R445 H858 Q860 R864	D418-N862 PolarHBondContact O-ND2 2.78Å; R445-N862 PolarHBondContact NE-OD1 3.36Å; R445-N862 PolarHBondContact NH2-OD1 3.27Å; H858-N862 WeakPolarHBondContact CA-ND2 3.44Å; H858-N862 VanDerWaalsContact O-CB 3.23Å; H858-N862 WeakPolarHBondContact O-CB 3.37Å; H858-N862 PolarHBondContact O-N 3.39Å; H858-N862 PolarHBondContact O-ND2 2.88Å; Q860-N862 PolarHBondContact O-N 3.1Å; N862-R864 PolarHBondContact O-N 3.12Å
863	P	67.5	Low	64.6	Low	50 Å²	50	85.9 Å²	85.9	33%	0.325	47%	0.469	S	S	.	.			trans	-60.5	130.2	175.1	27	-33.9	0	0	0	109.6	L852 C861	L852-P863 HydrophobicContact CD2-CG 3.87Å; C861-P863 VanDerWaalsContact C-CD 3.46Å
864	R	59.7	Low	61.6	Low	171 Å²	171	95.6 Å²	95.6	65%	0.645	51%	0.506	S	S	*	.			trans	-70	146.9	174.4	-69.6	-178.1	177.3	176.3	-2.1	110.4	V443 N862 R866 E869	V443-R864 HydrophobicContact CG1-CG 4.15Å; N862-R864 PolarHBondContact O-N 3.12Å; R864-R866 PolarHBondContact O-N 2.82Å; R864-E869 IonicContact NH1-OE1 2.69Å
865	T	51.1	Low	58.9	Low	47 Å²	47	97.2 Å²	97.2	29%	0.288	52%	0.515	S	S	.	.			trans	-61	114.9	160.3	29.3	0	0	0	0	110.5	D446 S867	D446-T865 HydrophobicContact CB-CG2 3.82Å; D446-T865 WeakPolarHBondContact OD2-CG2 3.09Å; T865-S867 PolarHBondContact O-N 3.17Å; T865-S867 VanDerWaalsContact O-N 3.12Å
866	R	41.6	Very low	55.8	Low	225 Å²	225	106.6 Å²	106.6	85%	0.849	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-62.3	-14.7	175.2	-76.9	-177.2	173	159.2	2	113.8	R864 V868	R864-R866 PolarHBondContact O-N 2.82Å; R866-V868 VanDerWaalsContact C-N 3.31Å; R866-V868 PolarHBondContact O-N 3.18Å
867	S	36.9	Very low	52.6	Low	92 Å²	92	103.6 Å²	103.6	64%	0.643	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-61.5	-34.7	-176.8	-154.2	0	0	0	0	113.6	T865 E869 L870	T865-S867 PolarHBondContact O-N 3.17Å; T865-S867 VanDerWaalsContact O-N 3.12Å; S867-E869 PolarHBondContact O-N 3.35Å; S867-L870 PolarHBondContact O-N 3Å
868	V	34.9	Very low	49.3	Very low	72 Å²	72	111.3 Å²	111.3	44%	0.436	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-74	-24.4	-169.5	-171.7	0	0	0	0	113.3	R866 L870	R866-V868 VanDerWaalsContact C-N 3.31Å; R866-V868 PolarHBondContact O-N 3.18Å; V868-L870 VanDerWaalsContact C-N 3.34Å
869	E	33.4	Very low	46.7	Very low	150 Å²	150	118.6 Å²	118.6	70%	0.701	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-78.7	-15.4	179.8	-72.4	177.2	173.7	0	0	113.1	R864 S867	R864-E869 IonicContact NH1-OE1 2.69Å; S867-E869 PolarHBondContact O-N 3.35Å
870	L	35.3	Very low	44.2	Very low	161 Å²	161	113.7 Å²	113.7	84%	0.843	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-33.5	175.5	-84.7	157.1	0	0	0	113.4	S867 V868 G872	S867-L870 PolarHBondContact O-N 3Å; V868-L870 VanDerWaalsContact C-N 3.34Å; L870-G872 PolarHBondContact O-N 3.43Å
871	A	31.6	Very low	41.2	Very low	95 Å²	95	114.9 Å²	114.9	79%	0.785	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-7.4	173.2	0	0	0	0	0	113.2	G873	A871-G873 PolarHBondContact O-N 2.76Å
872	G	30.9	Very low	38.3	Very low	66 Å²	66	126.2 Å²	126.2	68%	0.68	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	6.4	-165.4	0	0	0	0	0	117.6	L870	L870-G872 PolarHBondContact O-N 3.43Å
873	G	31.2	Very low	36	Very low	58 Å²	58	135.6 Å²	135.6	60%	0.598	72%	0.723	S	S	*	*	S	Bend	trans	161.7	91.4	170.4	0	0	0	0	0	118.8	A871	A871-G873 PolarHBondContact O-N 2.76Å
874	R	28.5	Very low	34.2	Very low	255 Å²	255	140.1 Å²	140.1	96%	0.962	74%	0.744	S	S	*	*			trans	-172.9	145.7	130.8	-99.3	153.7	-165.1	-143.5	0.9	109.8
875	A	32.1	Very low	32.6	Very low	81 Å²	81	142.8 Å²	142.8	67%	0.669	76%	0.76	S	S	*	*			trans	-102.1	148.8	172.3	0	0	0	0	0	110
876	H	30.2	Very low	31.8	Very low	199 Å²	199	146.7 Å²	146.7	92%	0.921	78%	0.775	S	S	*	*			trans	63.3	127.8	-178.5	-53.4	-86	0	0	0	116
877	G	26.7	Very low	31.6	Very low	74 Å²	74	145.6 Å²	145.6	76%	0.763	77%	0.771	S	S	*	*			trans	147.4	67.7	166.5	0	0	0	0	0	117.4
878	D	24.1	Very low	31.3	Very low	167 Å²	167	153.1 Å²	153.1	89%	0.893	79%	0.785	S	S	*	*			trans	62.9	165	152	-148.2	4.2	0	0	0	120.3
879	F	35.1	Very low	31	Very low	213 Å²	213	159.5 Å²	159.5	93%	0.934	81%	0.807	S	S	*	*	S	Bend	trans	-108.7	58.3	-165.7	-133.2	-86.3	0	0	0	112.7
880	G	33.7	Very low	30.9	Very low	69 Å²	69	163.9 Å²	163.9	71%	0.711	82%	0.818	S	S	*	*			trans	177.6	101.5	173.4	0	0	0	0	0	117.2
881	D	26.7	Very low	30.6	Very low	142 Å²	142	161.6 Å²	161.6	76%	0.759	81%	0.812	S	S	*	*			trans	-141.8	40	161.8	-141.9	-10.4	0	0	0	113.3	R883	D881-R883 PolarHBondContact O-N 3.08Å
882	Y	30.8	Very low	30.6	Very low	238 Å²	238	167.4 Å²	167.4	93%	0.933	82%	0.82	S	S	*	*			trans	-79.2	45	171.5	-108.8	-75.8	0	0	0	112.2
883	R	33.9	Very low	30.6	Very low	222 Å²	222	170.7 Å²	170.7	84%	0.838	83%	0.827	S	S	*	*			trans	-176.4	110.7	170.6	-99.7	157.7	-159.9	-174.4	7.9	110.6	D881	D881-R883 PolarHBondContact O-N 3.08Å
884	L	29	Very low	30.5	Very low	146 Å²	146	177.7 Å²	177.7	76%	0.764	84%	0.84	S	S	*	*			trans	179.5	101.4	136.9	-101	160.5	0	0	0	112.3
885	F	27.6	Very low	30.5	Very low	227 Å²	227	175.2 Å²	175.2	100%	0.996	84%	0.837	S	S	*	*			trans	-131.6	53.8	163.2	-106	-74.2	0	0	0	111.3
886	E	33.6	Very low	30.2	Very low	129 Å²	129	177.4 Å²	177.4	60%	0.603	84%	0.844	S	S	*	*			trans	-112	131.6	162.3	-100.4	-136.3	112.5	0	0	111.5
887	R	37.2	Very low	30.2	Very low	201 Å²	201	173.6 Å²	173.6	76%	0.758	84%	0.84	S	S	*	*			trans	57.1	100.2	155.1	-54.5	177.1	-163	-167.9	9.8	118.4
888	R	30.8	Very low	30.3	Very low	250 Å²	250	176.1 Å²	176.1	94%	0.943	85%	0.846	S	S	*	*			trans	-142.3	156.9	130.4	-104.8	153.5	-156.1	-143	3.8	110.7
889	K	29.5	Very low	30.7	Very low	206 Å²	206	173.7 Å²	173.7	90%	0.896	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-88.4	137.9	-156	-64	171.2	-178.8	170.1	0	112.9
890	W	29.7	Very low	30.4	Very low	242 Å²	242	174.2 Å²	174.2	92%	0.917	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-78.6	152.3	167.2	-80.9	66.4	0	0	0	112
891	P	30.6	Very low	30.1	Very low	113 Å²	113	177.7 Å²	177.7	73%	0.734	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-61.4	149.3	169.7	-22.1	34.1	0	0	0	112.9	V893	P891-V893 PolarHBondContact O-N 3.15Å
892	K	30.1	Very low	30.3	Very low	218 Å²	218	179 Å²	179	95%	0.948	85%	0.852	S	S	*	*			trans	-76.5	107.7	-176.8	-67	179.4	-178.9	175.8	0	112
893	V	32	Very low	30.2	Very low	135 Å²	135	170.3 Å²	170.3	82%	0.818	83%	0.834	S	S	*	*			trans	-111.3	139.9	161.6	-176.4	0	0	0	0	108.9	P891	P891-V893 PolarHBondContact O-N 3.15Å
894	K	28.9	Very low	30.2	Very low	204 Å²	204	165.5 Å²	165.5	89%	0.887	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.2	134.5	-175.7	-71.2	-177.6	176.9	178.9	0	111.4
895	K	27.5	Very low	30.6	Very low	203 Å²	203	165.2 Å²	165.2	88%	0.883	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-79.1	137.3	175.8	-65.4	-176.4	178.3	-178.5	0	111.9
896	P	27.2	Very low	31.2	Very low	127 Å²	127	159.3 Å²	159.3	83%	0.825	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.2	151.7	142.9	-5.4	24.2	0	0	0	110
897	S	28.8	Very low	31	Very low	120 Å²	120	160 Å²	160	84%	0.839	81%	0.808	S	S	*	*			trans	-109.4	107.8	-172.2	55.9	0	0	0	0	114.1
898	S	29.9	Very low	30.6	Very low	126 Å²	126	153.2 Å²	153.2	88%	0.881	80%	0.801	S	S	*	*			trans	-166.4	136.2	152	57	0	0	0	0	110.9
899	S	32.8	Very low	30.4	Very low	116 Å²	116	151 Å²	151	81%	0.811	79%	0.793	S	S	*	*			trans	-92	113.1	-177.4	52.7	0	0	0	0	113
900	R	28.9	Very low	30.1	Very low	225 Å²	225	150.8 Å²	150.8	85%	0.849	79%	0.792	S	S	*	*			trans	-140.4	93.9	158.1	-99	-173.3	170.2	-174.7	-3.5	109.1
901	T	26.7	Very low	30	Very low	141 Å²	141	146.8 Å²	146.8	87%	0.865	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.4	132	168.9	-28.3	0	0	0	0	108.5
902	L	29.9	Very low	29.9	Very low	171 Å²	171	148.5 Å²	148.5	90%	0.895	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-71.6	128	168.6	-70.5	165.3	0	0	0	108.6
903	G	30.4	Very low	29.9	Very low	55 Å²	55	144.8 Å²	144.8	57%	0.567	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-82.6	160.6	177.6	0	0	0	0	0	112.7
904	P	32.5	Very low	29.8	Very low	121 Å²	121	145.3 Å²	145.3	79%	0.786	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-67.7	140	173	29.9	-34.2	0	0	0	110.9
905	I	39	Very low	29.9	Very low	139 Å²	139	141.9 Å²	141.9	71%	0.713	82%	0.82	S	S	*	*	S	Bend	trans	-92.7	-9.9	-169.4	-70.5	167.5	0	0	0	112.9
906	W	38.9	Very low	30	Very low	104 Å²	104	138.1 Å²	138.1	39%	0.394	82%	0.816	S	S	.	*			trans	-120.5	35.8	-155.7	-61.6	105.9	0	0	0	116.3	R839 N843	R839-W906 WeakPolarHBondContact CD-O 3.29Å; R839-W906 PolarHBondContact NH1-O 2.85Å; N843-W906 PolarHBondContact OD1-NE1 2.81Å
907	D	29.1	Very low	30.2	Very low	142 Å²	142	138.8 Å²	138.8	76%	0.759	82%	0.816	S	S	*	*			trans	-104.5	92.7	168.3	-85.5	-44.2	0	0	0	112	R839	R839-D907 IonicContact NH1-OD1 3.75Å; R839-D907 PolarHBondContact NH1-OD1 2.91Å; R839-D907 VanDerWaalsContact NH1-OD1 3.09Å
908	G	29.7	Very low	30.3	Very low	59 Å²	59	140.1 Å²	140.1	61%	0.608	81%	0.814	S	S	*	*			trans	-167.7	-27.4	178.6	0	0	0	0	0	117.3
909	W	26.3	Very low	30.4	Very low	203 Å²	203	141.2 Å²	141.2	77%	0.769	81%	0.809	S	S	*	*			trans	-100	110.8	-168	-61.5	90.8	0	0	0	113.3	R839	R839-W909 PolarHBondContact NE-O 2.94Å; R839-W909 PolarHBondContact NH2-O 3.3Å
910	K	22.3	Very low	30.2	Very low	203 Å²	203	143.3 Å²	143.3	88%	0.883	81%	0.809	S	S	*	*			trans	-140.1	135.3	167.5	-94.2	-163.4	173.9	-168.7	0	108.1
911	G	28.2	Very low	30.3	Very low	157 Å²	157	135.9 Å²	135.9	100%	1.619	81%	0.805	S	S	*	*			trans	90.3	0	-176.3	0	0	0	0	0	110.6

Retrieved 911 of 911 residues in 255.2 ms (Link to these results)

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