A0A5K4ECC5_SCHMA Loading...

Cytohesin-related guanine nucleotide-exchange protein

AlphaFold DB , UniProt , Accession A0A5K4ECC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 930 aa.

						>A0A5K4ECC5_SCHMA|A0A5K4ECC5
MESSPPALLNALRPLKTNRPRPRMRLTSIRQTPQRVLAAKLDVNINQNLNPVICSENLNQPTPQVDYKSDVPSSKLTRFVKRFSMTFLPAEHPVSDIMNKSEKKNINPQFDFNQWKRRRSILNYRDRSPLHIDQHVQPTDGMIDTNADQFDKRIKVLSDLSNVIESNQMTTCTKRKSSLTRWFEKNVKHPRRSLPHSSLTTECIVPVIANRSSIPEKTQQECLHNQTAQQTITPYVKVFKSRRSLLRHRCISNHPIITSKSQESNTPGKFLSHDVNHTSSCDHRDSEDETNEKVIVLKNNNIEDYKINEVKAVNKNPFGSEKCVSEGDESWFIIPPTGIDGPCSQNQNSTYSSISSIVSDFTSMSHSVGKSTGSHKSLMNTFYTPTMKRRNRLPIPSEFLNSTSSGPVIYKPTTRSSMTNMYSELNKSSDQDSGLSSQLSSTFRSTDVETQSRDMREHRNLVGSSASWATTLRQSMKRANNKRTLLAGCTLFNRNPVEGVNYLIRNYILLSDPIKIAQFLIHEPNLNRQAIGEYFGLLDNTLAMKVLKEFLLLINMKNMEVDVALRSVIGHFHPSGESQKIANLMKIFHEVYIIQNPDRVRKNFHSPETVEVLAYSVLLLHTDLHNPNVGKMGKRMTKQGFINNNRGIDSDHDVSTDLLEGIYDRIAASEFKTLPDPSDKLRALDGVLIGPLKTDNFVQRHRRFIGRILTQEIEKIAPRKLPGRNNARWRHLLIFNDILVVVKSLNTTRLRSGSLINSVAVVAFGDQNGTRHYTPRNSVSRDDSSCSPFGPVQDVTQKVFCSTEPFATDTTFQVRSVYPFLDLRVLVFESNYYRYGVQLCNSNGPVISLNMPSEACRRQFIDWAYGSIAEMEELQQHQQVKKSECERTIIVNCKRSPTKTTANGTISIINGDRCVMPSSRVTEKVILFNT
					

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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	35.1	Very low	35.9	Very low	210 Å²	210	129.7 Å²	129.7	100%	1.034	77%	0.772	S	S	*	*				0	61.1	0	-59	172.2	-174.9	0	0	107.4
2	E	35	Very low	35.9	Very low	173 Å²	173	133.6 Å²	133.6	81%	0.808	79%	0.785	S	S	*	*				87.4	131.6	62.4	-78.1	114	-128.9	0	0	111.3
3	S	34.9	Very low	35.7	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	79%	0.793	S	S	*	*			cis	-145.3	150.7	-3.8	44.3	0	0	0	0	113.1
4	S	37.1	Very low	36.2	Very low	106 Å²	106	138.3 Å²	138.3	74%	0.741	78%	0.781	S	S	*	*			trans	-104.3	-162.3	174.8	58.7	0	0	0	0	108.5
5	P	41.8	Very low	36.1	Very low	115 Å²	115	138 Å²	138	75%	0.747	78%	0.776	S	S	*	*			cis	-132.7	-113.2	-1.1	25.7	3	0	0	0	116.2
6	P	45.7	Very low	36	Very low	110 Å²	110	141 Å²	141	71%	0.714	78%	0.778	S	S	*	*				-138.1	-163.4	-113.5	46.2	-27.2	0	0	0	117.3
7	A	35.5	Very low	36.1	Very low	84 Å²	84	139.6 Å²	139.6	69%	0.694	78%	0.775	S	S	*	*			trans	72.5	163	150.5	0	0	0	0	0	118.5
8	L	30.8	Very low	35.9	Very low	160 Å²	160	139.7 Å²	139.7	84%	0.838	77%	0.773	S	S	*	*			cis	-155.7	-156.7	-28.8	-98.4	167.2	0	0	0	104.9
9	L	33.6	Very low	35.8	Very low	126 Å²	126	144.7 Å²	144.7	66%	0.66	78%	0.779	S	S	*	*			cis	-160.3	144.4	2.3	-171.5	59.2	0	0	0	109.6
10	N	33.3	Very low	35.8	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	78%	0.777	S	S	*	*			trans	59.5	167.9	161.4	-73.5	-10.5	0	0	0	118.9
11	A	32.1	Very low	35.7	Very low	79 Å²	79	148.1 Å²	148.1	65%	0.653	79%	0.785	S	S	*	*			cis	-159.6	166.5	-33.6	0	0	0	0	0	106.7
12	L	35.9	Very low	35.6	Very low	176 Å²	176	143.7 Å²	143.7	92%	0.921	77%	0.772	S	S	*	*			cis	-144.8	-176.8	31.3	-75.9	161.9	0	0	0	112.2
13	R	33.5	Very low	35.5	Very low	235 Å²	235	147.2 Å²	147.2	89%	0.887	78%	0.778	S	S	*	*			trans	-147.5	-177.2	-178.1	-119	-159.8	-86.4	171.7	-8.4	108.4
14	P	41.8	Very low	35.3	Very low	98 Å²	98	150.1 Å²	150.1	64%	0.636	78%	0.78	S	S	*	*			cis	-136.6	-152.7	-31.3	36.2	-14.5	0	0	0	112.9
15	L	35.1	Very low	35	Very low	134 Å²	134	156.7 Å²	156.7	70%	0.702	79%	0.789	S	S	*	*			trans	111.9	106.5	158.2	-58	174.5	0	0	0	115.3
16	K	34.2	Very low	34.5	Very low	186 Å²	186	159.3 Å²	159.3	81%	0.809	80%	0.796	S	S	*	*				67.6	122.8	87.3	-72.4	-170	-170.8	176.4	0	112.1
17	T	37.8	Very low	33.8	Very low	117 Å²	117	160.3 Å²	160.3	72%	0.718	80%	0.8	S	S	*	*			cis	-161.2	168.2	41.4	54	0	0	0	0	114.3
18	N	32.8	Very low	33.6	Very low	141 Å²	141	161.9 Å²	161.9	75%	0.754	81%	0.806	S	S	*	*			trans	25.4	135.4	141.2	-65.6	-28.1	0	0	0	120.4
19	R	34.5	Very low	33.6	Very low	235 Å²	235	161.2 Å²	161.2	89%	0.887	80%	0.802	S	S	*	*			cis	-164.5	174.7	29.8	-117	167.6	-175.4	-169.9	2.2	110.2
20	P	36	Very low	33.3	Very low	113 Å²	113	166.8 Å²	166.8	73%	0.734	81%	0.814	S	S	*	*			trans	-98.8	155.7	-168.6	37.7	-34.8	0	0	0	116.1
21	R	33.3	Very low	33.3	Very low	248 Å²	248	168.1 Å²	168.1	94%	0.936	82%	0.816	S	S	*	*			trans	-155.7	167.3	156.8	-107.9	167.5	-157.5	-104.6	0.8	110.6
22	P	32.3	Very low	33.4	Very low	118 Å²	118	170.3 Å²	170.3	77%	0.766	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.5	148.3	-146.5	32.9	-38	0	0	0	115.7
23	R	32.7	Very low	33.5	Very low	246 Å²	246	167.7 Å²	167.7	93%	0.928	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-90.2	117.6	172.2	-147.8	172.4	-166.7	163.7	4.1	110.2
24	M	31.1	Very low	33.3	Very low	179 Å²	179	165 Å²	165	88%	0.882	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-60.7	141.6	177.6	-65.3	167.1	72.8	0	0	111.2	L26	M24-L26 PolarHBondContact O-N 3.23Å
25	R	30.9	Very low	32.8	Very low	245 Å²	245	172 Å²	172	93%	0.925	83%	0.826	S	S	*	*			trans	-79.1	94	170	-84.1	-178.4	168.9	158.9	-3.5	109.8	T27	R25-T27 PolarHBondContact O-N 3.31Å
26	L	31.6	Very low	32.6	Very low	169 Å²	169	171.9 Å²	171.9	89%	0.885	83%	0.83	S	S	*	*			trans	-67.9	120.5	161.6	-98.5	161.2	0	0	0	109.3	M24 S28	M24-L26 PolarHBondContact O-N 3.23Å; L26-S28 PolarHBondContact O-N 3.35Å; L26-S28 VanDerWaalsContact O-N 3.12Å
27	T	30.3	Very low	32.3	Very low	132 Å²	132	171.3 Å²	171.3	81%	0.81	84%	0.835	S	S	*	*			trans	-78.6	90.4	-178.2	45.3	0	0	0	0	110.5	R25	R25-T27 PolarHBondContact O-N 3.31Å
28	S	32	Very low	31.8	Very low	117 Å²	117	170.1 Å²	170.1	82%	0.818	84%	0.837	S	S	*	*			trans	-82.2	128.8	173.8	-168.5	0	0	0	0	111.9	L26 R30	L26-S28 PolarHBondContact O-N 3.35Å; L26-S28 VanDerWaalsContact O-N 3.12Å; S28-R30 PolarHBondContact O-N 3.18Å
29	I	30	Very low	31.6	Very low	145 Å²	145	168.1 Å²	168.1	74%	0.744	84%	0.84	S	S	*	*			trans	-49.4	121.9	-177.7	-64.1	159.6	0	0	0	111.6	Q31	I29-Q31 HydrophobicContact CG2-CG 4.42Å; I29-Q31 PolarHBondContact O-N 3.4Å; I29-Q31 VanDerWaalsContact O-N 3.09Å
30	R	29.2	Very low	31.4	Very low	244 Å²	244	164.8 Å²	164.8	92%	0.921	83%	0.832	S	S	*	*			trans	-75.4	94.1	164.8	-90.3	-169.7	169.6	-167.1	-2.7	109.8	S28	S28-R30 PolarHBondContact O-N 3.18Å
31	Q	32.5	Very low	31	Very low	174 Å²	174	166.2 Å²	166.2	81%	0.813	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-60.5	137.8	160.3	-70.8	178.9	-22.2	0	0	109.7	I29	I29-Q31 HydrophobicContact CG2-CG 4.42Å; I29-Q31 PolarHBondContact O-N 3.4Å; I29-Q31 VanDerWaalsContact O-N 3.09Å
32	T	33.9	Very low	30.7	Very low	124 Å²	124	158.7 Å²	158.7	76%	0.761	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.9	122.4	177	45.4	0	0	0	0	110.5	Q34	T32-Q34 PolarHBondContact O-N 3.32Å
33	P	37.3	Very low	30.7	Very low	122 Å²	122	159.3 Å²	159.3	79%	0.792	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.9	120.6	170.1	28.3	-32.4	0	0	0	109	R35	P33-R35 PolarHBondContact O-N 3.18Å
34	Q	29.4	Very low	30.5	Very low	179 Å²	179	154 Å²	154	84%	0.836	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-58.5	130.2	170.5	-69.1	-176.4	-7.7	0	0	109.1	T32 V36	T32-Q34 PolarHBondContact O-N 3.32Å; Q34-V36 PolarHBondContact O-N 3.01Å
35	R	31.4	Very low	30.4	Very low	245 Å²	245	152.3 Å²	152.3	93%	0.925	80%	0.795	S	S	*	*			trans	-73.4	90.5	175.6	-97.1	-177.8	163.1	172.2	-6.3	109.8	P33 L37	P33-R35 PolarHBondContact O-N 3.18Å; R35-L37 PolarHBondContact O-N 3.22Å
36	V	30.9	Very low	30.2	Very low	131 Å²	131	145.2 Å²	145.2	79%	0.794	78%	0.776	S	S	*	*			trans	-55.4	125.9	166.6	177.7	0	0	0	0	108.9	Q34 A38	Q34-V36 PolarHBondContact O-N 3.01Å; V36-A38 PolarHBondContact O-N 3.03Å
37	L	27.9	Very low	30	Very low	173 Å²	173	146.4 Å²	146.4	91%	0.906	78%	0.777	S	S	*	*			trans	-72.3	122.2	179.3	-72.1	154.4	0	0	0	110	R35	R35-L37 PolarHBondContact O-N 3.22Å
38	A	28.6	Very low	29.8	Very low	92 Å²	92	146.6 Å²	146.6	76%	0.76	77%	0.773	S	S	*	*			trans	-144.7	127.8	175.8	0	0	0	0	0	112.9	V36	V36-A38 PolarHBondContact O-N 3.03Å
39	A	28.1	Very low	29.7	Very low	99 Å²	99	148.9 Å²	148.9	82%	0.818	78%	0.775	S	S	*	*			trans	43.1	75.1	158.2	0	0	0	0	0	118.3	L41	A39-L41 PolarHBondContact O-N 2.82Å
40	K	29.3	Very low	29.5	Very low	165 Å²	165	148.4 Å²	148.4	72%	0.717	77%	0.774	S	S	*	*			trans	-78.9	106.3	162.3	-168.8	-179.5	-175.9	-127.7	0	110	D42	K40-D42 VanDerWaalsContact CD-OD2 3.31Å; K40-D42 WeakPolarHBondContact CD-OD2 3.14Å; K40-D42 WeakPolarHBondContact CE-OD1 3.5Å; K40-D42 VanDerWaalsContact CE-OD2 3.31Å; K40-D42 WeakPolarHBondContact CE-OD2 3.47Å; K40-D42 IonicContact NZ-OD1 2.95Å; K40-D42 PolarHBondContact NZ-OD1 3.02Å; K40-D42 IonicContact NZ-OD2 2.93Å; K40-D42 PolarHBondContact NZ-OD2 3.11Å; K40-D42 PolarHBondContact O-N 3.28Å
41	L	28	Very low	29.4	Very low	143 Å²	143	142 Å²	142	75%	0.749	77%	0.765	S	S	*	*			trans	-83.7	78.3	171.1	-86.4	167.9	0	0	0	110.6	A39 V43	A39-L41 PolarHBondContact O-N 2.82Å; L41-V43 PolarHBondContact O-N 3.29Å
42	D	27.6	Very low	29.1	Very low	91 Å²	91	139.1 Å²	139.1	49%	0.487	76%	0.758	S	S	.	*			trans	-72.3	102.6	166.1	-72.4	-46	0	0	0	109.7	K40	K40-D42 VanDerWaalsContact CD-OD2 3.31Å; K40-D42 WeakPolarHBondContact CD-OD2 3.14Å; K40-D42 WeakPolarHBondContact CE-OD1 3.5Å; K40-D42 VanDerWaalsContact CE-OD2 3.31Å; K40-D42 WeakPolarHBondContact CE-OD2 3.47Å; K40-D42 IonicContact NZ-OD1 2.95Å; K40-D42 PolarHBondContact NZ-OD1 3.02Å; K40-D42 IonicContact NZ-OD2 2.93Å; K40-D42 PolarHBondContact NZ-OD2 3.11Å; K40-D42 PolarHBondContact O-N 3.28Å
43	V	32.8	Very low	28.7	Very low	130 Å²	130	139.8 Å²	139.8	79%	0.788	76%	0.756	S	S	*	*			trans	-92.1	118.1	167.3	-179.5	0	0	0	0	108.5	L41 I45	L41-V43 PolarHBondContact O-N 3.29Å; V43-I45 PolarHBondContact O-N 3.3Å
44	N	27.3	Very low	28.2	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	75%	0.753	S	S	*	*			trans	-62.4	128.2	-172	-81.1	-53.2	0	0	0	113.9
45	I	29.4	Very low	28	Very low	143 Å²	143	134.8 Å²	134.8	73%	0.733	74%	0.742	S	S	*	*			trans	-125.8	84.5	142.2	-57	-176.4	0	0	0	108.2	V43 Q47	V43-I45 PolarHBondContact O-N 3.3Å; I45-Q47 PolarHBondContact O-N 3.29Å
46	N	27.1	Very low	27.9	Very low	97 Å²	97	132.1 Å²	132.1	52%	0.519	74%	0.74	S	S	.	*			trans	31.4	78.4	160.6	-63.4	13.9	0	0	0	118.5	N48	N46-N48 PolarHBondContact O-N 3.26Å
47	Q	27.7	Very low	27.8	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	74%	0.742	S	S	*	*			trans	-76	72.3	149.2	-73.1	-171	-10.4	0	0	110.4	I45 L49	I45-Q47 PolarHBondContact O-N 3.29Å; Q47-L49 PolarHBondContact O-N 3.37Å
48	N	26.1	Very low	28	Very low	136 Å²	136	131.4 Å²	131.4	73%	0.727	73%	0.732	S	S	*	*			trans	-98.3	63.5	170.5	-99.4	5.5	0	0	0	110.9	N46	N46-N48 PolarHBondContact O-N 3.26Å
49	L	28.4	Very low	28.1	Very low	165 Å²	165	133.5 Å²	133.5	86%	0.864	73%	0.731	S	S	*	*			trans	-131.5	78.9	161.6	-78.3	177.4	0	0	0	108.6	Q47	Q47-L49 PolarHBondContact O-N 3.37Å
50	N	27.5	Very low	28.1	Very low	135 Å²	135	135.4 Å²	135.4	72%	0.722	72%	0.723	S	S	*	*			trans	-61.8	128.7	160.3	-78.4	-35	0	0	0	108.1	V52	N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 HydrophobicContact CB-CG2 4.25Å; N50-V52 PolarHBondContact O-N 3.49Å
51	P	26.2	Very low	28.1	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	73%	0.727	S	S	*	*			trans	-70.2	94.4	160.4	30.2	-30.7	0	0	0	107.3	I53	P51-I53 PolarHBondContact O-N 3.36Å
52	V	26.5	Very low	28.1	Very low	112 Å²	112	132.1 Å²	132.1	68%	0.679	73%	0.725	S	S	*	*			trans	-72	86.8	171.1	179.6	0	0	0	0	107.6	N50 C54	N50-V52 VanDerWaalsContact C-N 3.3Å; N50-V52 HydrophobicContact CB-CG2 4.25Å; N50-V52 PolarHBondContact O-N 3.49Å; V52-C54 HydrophobicContact CG1-CB 4.27Å; V52-C54 VanDerWaalsContact CG1-SG 3.54Å; V52-C54 PolarHBondContact O-N 3.35Å
53	I	25.7	Very low	28.1	Very low	139 Å²	139	132.6 Å²	132.6	71%	0.713	73%	0.733	S	S	*	*			trans	-75.7	79.3	167.5	-55.8	174.5	0	0	0	106.8	P51	P51-I53 PolarHBondContact O-N 3.36Å
54	C	25.3	Very low	27.7	Very low	107 Å²	107	134.4 Å²	134.4	72%	0.723	73%	0.733	S	S	*	*			trans	-88.9	96.2	159.9	-79.8	0	0	0	0	107.4	V52 E56	V52-C54 HydrophobicContact CG1-CB 4.27Å; V52-C54 VanDerWaalsContact CG1-SG 3.54Å; V52-C54 PolarHBondContact O-N 3.35Å; C54-E56 PolarHBondContact O-N 3.34Å
55	S	25.8	Very low	27.7	Very low	89 Å²	89	133.6 Å²	133.6	62%	0.622	73%	0.733	S	S	*	*			trans	-79.3	105	166.5	-59	0	0	0	0	108.5
56	E	29.8	Very low	27.5	Very low	188 Å²	188	131.1 Å²	131.1	88%	0.879	72%	0.721	S	S	*	*			trans	-141.7	118.4	169	-125.2	161	-146.3	0	0	108.9	C54	C54-E56 PolarHBondContact O-N 3.34Å
57	N	29.1	Very low	27.5	Very low	155 Å²	155	135.9 Å²	135.9	83%	0.829	73%	0.733	S	S	*	*			trans	-85.5	135.3	179.5	-65	-21.7	0	0	0	109.2
58	L	32.1	Very low	27.4	Very low	135 Å²	135	133.9 Å²	133.9	71%	0.707	72%	0.721	S	S	*	*			trans	-154.9	133.6	139.8	-137.9	70.2	0	0	0	111.1	I908	L58-I908 HydrophobicContact CD2-CB 4.49Å
59	N	30.5	Very low	27.5	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	71%	0.711	S	S	*	*			trans	-84.4	138.9	179.9	-71.9	-40.6	0	0	0	111.1
60	Q	28.6	Very low	27.5	Very low	138 Å²	138	130.7 Å²	130.7	65%	0.645	71%	0.711	S	S	*	*			trans	-165.2	150.2	134	-109	166.6	1.9	0	0	111.4	N910	Q60-N910 PolarHBondContact OE1-ND2 2.91Å
61	P	29.5	Very low	27.7	Very low	126 Å²	126	128.8 Å²	128.8	82%	0.818	70%	0.704	S	S	*	*			trans	-92.1	111.8	-168.5	34	-32.3	0	0	0	113.1
62	T	27	Very low	28.2	Very low	114 Å²	114	126.5 Å²	126.5	70%	0.699	69%	0.689	S	S	*	*			trans	-83	142.9	148.8	43.3	0	0	0	0	109.4	Q64	T62-Q64 PolarHBondContact O-N 3.06Å
63	P	26.7	Very low	29.2	Very low	101 Å²	101	123.9 Å²	123.9	66%	0.656	68%	0.675	S	S	*	*			trans	-64.5	112	-170.7	26.2	-34.6	0	0	0	110.8	V65	P63-V65 PolarHBondContact O-N 3.5Å
64	Q	26	Very low	30.6	Very low	168 Å²	168	120.5 Å²	120.5	79%	0.785	66%	0.664	S	S	*	*			trans	-66	120.2	158.4	-66.6	-163.9	-0.5	0	0	106.8	T62 D66	T62-Q64 PolarHBondContact O-N 3.06Å; Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 PolarHBondContact O-N 3.07Å
65	V	27.3	Very low	32.3	Very low	118 Å²	118	117.8 Å²	117.8	72%	0.715	64%	0.64	S	S	*	*			trans	-60.9	104.8	154.9	175.6	0	0	0	0	104.5	P63 Y67	P63-V65 PolarHBondContact O-N 3.5Å; V65-Y67 HydrophobicContact CG1-CD2 3.93Å; V65-Y67 HydrophobicContact CG1-CE2 3.81Å; V65-Y67 PolarHBondContact O-N 3.46Å
66	D	23.6	Very low	34	Very low	91 Å²	91	114.5 Å²	114.5	49%	0.487	62%	0.616	S	S	.	*			trans	-74.7	79.3	-163.9	-160	7.5	0	0	0	109.4	Q64 K68	Q64-D66 VanDerWaalsContact C-N 3.28Å; Q64-D66 PolarHBondContact O-N 3.07Å; D66-K68 PolarHBondContact O-N 3.37Å; D66-K68 WeakPolarHBondContact OD1-CG 3.34Å; D66-K68 IonicContact OD1-NZ 3.73Å; D66-K68 IonicContact OD2-NZ 3.55Å; D66-K68 PolarHBondContact OD2-NZ 3.18Å
67	Y	29	Very low	35.7	Very low	196 Å²	196	107.9 Å²	107.9	77%	0.769	59%	0.588	S	S	*	*			trans	-70	45.9	167.4	-85.4	-78.4	0	0	0	111.3	V65 S69	V65-Y67 HydrophobicContact CG1-CD2 3.93Å; V65-Y67 HydrophobicContact CG1-CE2 3.81Å; V65-Y67 PolarHBondContact O-N 3.46Å; Y67-S69 PolarHBondContact O-N 2.88Å
68	K	25.4	Very low	37.5	Very low	152 Å²	152	107.3 Å²	107.3	66%	0.661	57%	0.574	S	S	*	*				-58.3	63.8	126.9	-67.2	179.8	-167.2	114.7	0	109.7	D66 D70	D66-K68 PolarHBondContact O-N 3.37Å; D66-K68 WeakPolarHBondContact OD1-CG 3.34Å; D66-K68 IonicContact OD1-NZ 3.73Å; D66-K68 IonicContact OD2-NZ 3.55Å; D66-K68 PolarHBondContact OD2-NZ 3.18Å; K68-D70 PolarHBondContact O-N 3.09Å
69	S	27.2	Very low	39.4	Very low	73 Å²	73	101.4 Å²	101.4	51%	0.51	54%	0.543	S	S	.	.			trans	-59.7	114.8	145.5	56.3	0	0	0	0	105.5	Y67 V71	Y67-S69 PolarHBondContact O-N 2.88Å; S69-V71 VanDerWaalsContact C-N 3.28Å; S69-V71 VanDerWaalsContact O-CG2 3.28Å; S69-V71 WeakPolarHBondContact O-CG2 3.18Å; S69-V71 PolarHBondContact O-N 3.32Å
70	D	27.9	Very low	41.2	Very low	161 Å²	161	96 Å²	96	86%	0.861	51%	0.514	S	S	*	.			trans	-60.6	95.5	171.9	-85.3	-55.1	0	0	0	109.1	K68	K68-D70 PolarHBondContact O-N 3.09Å
71	V	32.6	Very low	43.1	Very low	95 Å²	95	95.6 Å²	95.6	58%	0.576	51%	0.511	S	S	*	.			trans	-67.2	135.5	-173.8	-168.9	0	0	0	0	107.9	S69 S73	S69-V71 VanDerWaalsContact C-N 3.28Å; S69-V71 VanDerWaalsContact O-CG2 3.28Å; S69-V71 WeakPolarHBondContact O-CG2 3.18Å; S69-V71 PolarHBondContact O-N 3.32Å; V71-S73 WeakPolarHBondContact O-CB 3.5Å; V71-S73 PolarHBondContact O-N 3.16Å
72	P	36.1	Very low	45	Very low	62 Å²	62	95 Å²	95	40%	0.403	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	9.4	170.4	25	-33.6	0	0	0	114.4	S74 K75	P72-S74 PolarHBondContact O-N 2.71Å; P72-K75 PolarHBondContact O-N 3.06Å
73	S	48.2	Very low	46.9	Very low	57 Å²	57	89.9 Å²	89.9	40%	0.399	46%	0.46	S	S	.	.	H	α-helix	trans	-32.8	-32.8	161.8	177.5	0	0	0	0	114.9	V71 K75 T77	V71-S73 WeakPolarHBondContact O-CB 3.5Å; V71-S73 PolarHBondContact O-N 3.16Å; S73-K75 VanDerWaalsContact C-N 3.29Å; S73-K75 PolarHBondContact O-N 3.16Å; S73-T77 WeakPolarHBondContact O-CA 3.38Å; S73-T77 WeakPolarHBondContact O-CB 3Å; S73-T77 PolarHBondContact O-N 2.78Å; S73-T77 PolarHBondContact O-OG1 3.43Å; S73-T77 PolarHBondContact OG-OG1 3.41Å
74	S	56	Low	48.8	Very low	69 Å²	69	85.8 Å²	85.8	48%	0.483	43%	0.434	S	S	.	.	H	α-helix	trans	-60.3	-36.1	178.5	93	0	0	0	0	113	P72 R78	P72-S74 PolarHBondContact O-N 2.71Å; S74-R78 VanDerWaalsContact O-CB 3.28Å; S74-R78 WeakPolarHBondContact O-CB 3.34Å; S74-R78 WeakPolarHBondContact O-CG 3.32Å; S74-R78 PolarHBondContact O-N 3.28Å; S74-R78 PolarHBondContact O-NE 2.9Å; S74-R78 PolarHBondContact OG-NH2 3.2Å
75	K	60.2	Low	50.3	Low	49 Å²	49	84.8 Å²	84.8	21%	0.213	43%	0.431	C	S	.	.	H	α-helix	trans	-74.7	-57.7	176.2	-74.5	-178	175.6	177.5	0	110.7	P72 S73 T77 R78 F79 E608 S650	P72-K75 PolarHBondContact O-N 3.06Å; S73-K75 VanDerWaalsContact C-N 3.29Å; S73-K75 PolarHBondContact O-N 3.16Å; K75-T77 VanDerWaalsContact C-N 3.34Å; K75-T77 PolarHBondContact O-N 2.92Å; K75-R78 WeakPolarHBondContact O-CB 3.44Å; K75-R78 PolarHBondContact O-N 3.27Å; K75-R78 VanDerWaalsContact O-N 3.07Å; K75-F79 PolarHBondContact O-N 3.32Å; K75-E608 WeakPolarHBondContact CD-OE2 3.46Å; K75-E608 WeakPolarHBondContact CE-OE2 3.29Å; K75-E608 IonicContact NZ-OE2 2.62Å; K75-E608 PolarHBondContact NZ-OE2 3.26Å; K75-S650 PolarHBondContact NZ-OG 3.07Å
76	L	62.3	Low	51.8	Low	21 Å²	21	83 Å²	83	11%	0.11	42%	0.421	C	S	.	.	H	α-helix	trans	-59.7	-42.4	-178.3	-176.2	62	0	0	0	111.9	R78 F79 V80 A582 Y615	L76-R78 PolarHBondContact O-N 3.44Å; L76-F79 PolarHBondContact O-N 3.29Å; L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.25Å; L76-V80 WeakPolarHBondContact O-CB 3.45Å; L76-V80 WeakPolarHBondContact O-CG2 3.29Å; L76-V80 PolarHBondContact O-N 2.98Å; L76-A582 HydrophobicContact CD2-CB 4.28Å; L76-Y615 HydrophobicContact CD1-CD1 4.06Å; L76-Y615 HydrophobicContact CD1-CD2 4.09Å; L76-Y615 HydrophobicContact CD1-CG 3.77Å; L76-Y615 HydrophobicContact CD2-CD2 4.3Å; L76-Y615 HydrophobicContact CD2-CE2 4.49Å
77	T	63.7	Low	53.2	Low	48 Å²	48	81.3 Å²	81.3	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-67.6	-33	176.8	-61.1	0	0	0	0	112.4	S73 K75 K81	S73-T77 WeakPolarHBondContact O-CA 3.38Å; S73-T77 WeakPolarHBondContact O-CB 3Å; S73-T77 PolarHBondContact O-N 2.78Å; S73-T77 PolarHBondContact O-OG1 3.43Å; S73-T77 PolarHBondContact OG-OG1 3.41Å; K75-T77 VanDerWaalsContact C-N 3.34Å; K75-T77 PolarHBondContact O-N 2.92Å; T77-K81 HydrophobicContact CG2-CD 3.97Å; T77-K81 VanDerWaalsContact CG2-CE 3.5Å; T77-K81 HydrophobicContact CG2-CG 4.46Å; T77-K81 VanDerWaalsContact O-CB 3.28Å; T77-K81 WeakPolarHBondContact O-CB 3.17Å; T77-K81 WeakPolarHBondContact O-CD 3.45Å; T77-K81 WeakPolarHBondContact O-CG 3.37Å; T77-K81 PolarHBondContact O-N 3.46Å
78	R	68	Low	54.1	Low	144 Å²	144	74 Å²	74	54%	0.543	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-50.7	171.1	-87.7	-179.4	-82.1	173.1	-9.1	110.7	S74 K75 L76 K81 R82	S74-R78 VanDerWaalsContact O-CB 3.28Å; S74-R78 WeakPolarHBondContact O-CB 3.34Å; S74-R78 WeakPolarHBondContact O-CG 3.32Å; S74-R78 PolarHBondContact O-N 3.28Å; S74-R78 PolarHBondContact O-NE 2.9Å; S74-R78 PolarHBondContact OG-NH2 3.2Å; K75-R78 WeakPolarHBondContact O-CB 3.44Å; K75-R78 PolarHBondContact O-N 3.27Å; K75-R78 VanDerWaalsContact O-N 3.07Å; L76-R78 PolarHBondContact O-N 3.44Å; R78-K81 PolarHBondContact O-N 3.02Å; R78-R82 PolarHBondContact O-N 3.39Å
79	F	71.9	Confident	54.7	Low	11 Å²	11	70.5 Å²	70.5	5%	0.048	38%	0.376	C	S	.	.	H	α-helix	trans	-59.3	-50.7	177.9	172	-101.2	0	0	0	112.2	K75 L76 K81 R82 F83 V612 S616 L619 N644 I648	K75-F79 PolarHBondContact O-N 3.32Å; L76-F79 PolarHBondContact O-N 3.29Å; F79-K81 VanDerWaalsContact C-N 3.31Å; F79-K81 PolarHBondContact O-N 2.79Å; F79-R82 WeakPolarHBondContact O-CA 3.46Å; F79-R82 WeakPolarHBondContact O-CB 3.48Å; F79-R82 PolarHBondContact O-N 3.1Å; F79-F83 HydrophobicContact CZ-CD2 4.09Å; F79-F83 PolarHBondContact O-N 2.93Å; F79-V612 HydrophobicContact CB-CG1 4.03Å; F79-V612 HydrophobicContact CD1-CG1 4.09Å; F79-V612 HydrophobicContact CD2-CG1 4.39Å; F79-V612 HydrophobicContact CG-CG1 3.89Å; F79-S616 VanDerWaalsContact CZ-CB 3.41Å; F79-S616 WeakPolarHBondContact CZ-OG 3.29Å; F79-L619 HydrophobicContact CE1-CD1 3.91Å; F79-L619 HydrophobicContact CZ-CD1 4.48Å; F79-N644 HydrophobicContact CE2-CB 4.45Å; F79-I648 HydrophobicContact CD2-CG2 4.13Å
80	V	69.1	Low	55.1	Low	21 Å²	21	70.8 Å²	70.8	13%	0.127	38%	0.383	C	S	.	.	H	α-helix	trans	-56.6	-41.6	176.5	160.9	0	0	0	0	112.2	L76 S84 L179 Y615	L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.25Å; L76-V80 WeakPolarHBondContact O-CB 3.45Å; L76-V80 WeakPolarHBondContact O-CG2 3.29Å; L76-V80 PolarHBondContact O-N 2.98Å; V80-S84 VanDerWaalsContact O-CB 3.29Å; V80-S84 WeakPolarHBondContact O-CB 3.37Å; V80-S84 PolarHBondContact O-N 3.39Å; V80-S84 PolarHBondContact O-OG 3.5Å; V80-L179 HydrophobicContact CG1-CD1 3.92Å; V80-L179 HydrophobicContact CG1-CD2 3.47Å; V80-L179 VanDerWaalsContact CG1-CD2 3.47Å; V80-L179 HydrophobicContact CG1-CG 4.17Å; V80-Y615 HydrophobicContact CG2-CD1 4.21Å; V80-Y615 HydrophobicContact CG2-CE1 3.69Å
81	K	67.9	Low	55.3	Low	131 Å²	131	70.2 Å²	70.2	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-66.3	-40.1	174	-77.2	169.6	-179	169.1	0	111.8	T77 R78 F79 M85	T77-K81 HydrophobicContact CG2-CD 3.97Å; T77-K81 VanDerWaalsContact CG2-CE 3.5Å; T77-K81 HydrophobicContact CG2-CG 4.46Å; T77-K81 VanDerWaalsContact O-CB 3.28Å; T77-K81 WeakPolarHBondContact O-CB 3.17Å; T77-K81 WeakPolarHBondContact O-CD 3.45Å; T77-K81 WeakPolarHBondContact O-CG 3.37Å; T77-K81 PolarHBondContact O-N 3.46Å; R78-K81 PolarHBondContact O-N 3.02Å; F79-K81 VanDerWaalsContact C-N 3.31Å; F79-K81 PolarHBondContact O-N 2.79Å; K81-M85 WeakPolarHBondContact O-CB 3.01Å; K81-M85 WeakPolarHBondContact O-CG 3.15Å; K81-M85 PolarHBondContact O-N 2.85Å
82	R	69.3	Low	55	Low	114 Å²	114	73.2 Å²	73.2	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-56.4	176.3	-162.9	-173.3	-157.1	164.9	6	110.7	R78 F79 S84 M85 T86 R646	R78-R82 PolarHBondContact O-N 3.39Å; F79-R82 WeakPolarHBondContact O-CA 3.46Å; F79-R82 WeakPolarHBondContact O-CB 3.48Å; F79-R82 PolarHBondContact O-N 3.1Å; R82-S84 VanDerWaalsContact C-N 3.3Å; R82-S84 PolarHBondContact O-N 2.93Å; R82-M85 PolarHBondContact O-N 3.45Å; R82-T86 PolarHBondContact O-N 3.34Å; R82-T86 VanDerWaalsContact O-N 3.12Å; R82-T86 PolarHBondContact O-OG1 2.94Å; R82-T86 VanDerWaalsContact O-OG1 3.09Å; R82-R646 PolarHBondContact NH1-O 2.99Å
83	F	67.6	Low	54.7	Low	6 Å²	6	75.4 Å²	75.4	3%	0.026	40%	0.397	C	S	.	.	H	α-helix	trans	-53.6	-46.4	178	-166.9	-76.4	0	0	0	111.9	F79 M85 T86 F87 L619 M636 N644	F79-F83 HydrophobicContact CZ-CD2 4.09Å; F79-F83 PolarHBondContact O-N 2.93Å; F83-M85 VanDerWaalsContact C-N 3.34Å; F83-M85 PolarHBondContact O-N 3.39Å; F83-T86 PolarHBondContact O-N 3.48Å; F83-F87 PolarHBondContact O-N 3.09Å; F83-F87 VanDerWaalsContact O-N 3.15Å; F83-L619 HydrophobicContact CB-CD1 4.32Å; F83-L619 HydrophobicContact CD1-CD1 3.96Å; F83-L619 HydrophobicContact CD1-CD2 4.44Å; F83-L619 HydrophobicContact CD2-CB 4.36Å; F83-L619 HydrophobicContact CD2-CD1 3.91Å; F83-L619 HydrophobicContact CE1-CB 4.13Å; F83-L619 HydrophobicContact CE1-CD1 4.26Å; F83-L619 HydrophobicContact CE1-CD2 4.23Å; F83-L619 HydrophobicContact CE1-CG 4.47Å; F83-L619 HydrophobicContact CE2-CB 3.81Å; F83-L619 HydrophobicContact CE2-CD1 4.2Å; F83-L619 HydrophobicContact CG-CD1 3.8Å; F83-L619 HydrophobicContact CZ-CB 3.7Å; F83-L619 HydrophobicContact CZ-CD1 4.39Å; F83-L619 HydrophobicContact CZ-CG 4.48Å; F83-M636 HydrophobicContact CE2-CE 3.59Å; F83-M636 HydrophobicContact CE2-SD 3.79Å; F83-M636 HydrophobicContact CZ-CE 3.77Å; F83-M636 HydrophobicContact CZ-SD 4.27Å; F83-N644 WeakPolarHBondContact CD2-ND2 3.33Å
84	S	65.3	Low	53.6	Low	15 Å²	15	80.2 Å²	80.2	11%	0.105	42%	0.423	C	S	.	.	H	α-helix	trans	-59.2	-42.5	177.6	-61.5	0	0	0	0	112.9	V80 R82 T86 L88 L179	V80-S84 VanDerWaalsContact O-CB 3.29Å; V80-S84 WeakPolarHBondContact O-CB 3.37Å; V80-S84 PolarHBondContact O-N 3.39Å; V80-S84 PolarHBondContact O-OG 3.5Å; R82-S84 VanDerWaalsContact C-N 3.3Å; R82-S84 PolarHBondContact O-N 2.93Å; S84-T86 VanDerWaalsContact C-N 3.33Å; S84-L88 VanDerWaalsContact O-CB 3.28Å; S84-L88 WeakPolarHBondContact O-CB 3.32Å; S84-L88 PolarHBondContact O-N 2.98Å; S84-L88 VanDerWaalsContact O-N 3.08Å; S84-L179 WeakPolarHBondContact OG-CD1 3.47Å
85	M	57.3	Low	52.2	Low	146 Å²	146	80.5 Å²	80.5	72%	0.719	43%	0.425	S	S	*	.	H	α-helix	trans	-73.9	-23.4	-177.1	-69.4	-77.4	158.8	0	0	113	K81 R82 F83	K81-M85 WeakPolarHBondContact O-CB 3.01Å; K81-M85 WeakPolarHBondContact O-CG 3.15Å; K81-M85 PolarHBondContact O-N 2.85Å; R82-M85 PolarHBondContact O-N 3.45Å; F83-M85 VanDerWaalsContact C-N 3.34Å; F83-M85 PolarHBondContact O-N 3.39Å
86	T	58.4	Low	50.6	Low	81 Å²	81	84.7 Å²	84.7	50%	0.497	45%	0.45	S	S	.	.	H	α-helix	trans	-88.5	-31.5	179.8	-47.2	0	0	0	0	112.9	R82 F83 S84	R82-T86 PolarHBondContact O-N 3.34Å; R82-T86 VanDerWaalsContact O-N 3.12Å; R82-T86 PolarHBondContact O-OG1 2.94Å; R82-T86 VanDerWaalsContact O-OG1 3.09Å; F83-T86 PolarHBondContact O-N 3.48Å; S84-T86 VanDerWaalsContact C-N 3.33Å
87	F	53.6	Low	49	Very low	56 Å²	56	92.1 Å²	92.1	25%	0.246	49%	0.488	C	S	.	.	H	α-helix	trans	-128	-7.9	-168.7	-69.9	-77.5	0	0	0	117	F83 M636 N644	F83-F87 PolarHBondContact O-N 3.09Å; F83-F87 VanDerWaalsContact O-N 3.15Å; F87-M636 HydrophobicContact CD1-CB 4.26Å; F87-M636 HydrophobicContact CD2-SD 4.49Å; F87-M636 HydrophobicContact CE1-CB 3.87Å; F87-M636 HydrophobicContact CE1-CG 4.25Å; F87-M636 HydrophobicContact CE2-CB 4.38Å; F87-M636 HydrophobicContact CE2-CG 4.05Å; F87-M636 HydrophobicContact CE2-SD 4.1Å; F87-M636 HydrophobicContact CZ-CB 3.94Å; F87-M636 HydrophobicContact CZ-CG 3.79Å; F87-M636 HydrophobicContact CZ-SD 4.46Å; F87-N644 VanDerWaalsContact CE2-ND2 3.28Å; F87-N644 WeakPolarHBondContact CE2-ND2 3.35Å
88	L	47.8	Very low	47.3	Very low	42 Å²	42	97.6 Å²	97.6	22%	0.22	51%	0.512	C	S	.	.	S	Bend	trans	-87	124.7	168.1	-59.8	-178.2	0	0	0	109.9	S84 A90 W182	S84-L88 VanDerWaalsContact O-CB 3.28Å; S84-L88 WeakPolarHBondContact O-CB 3.32Å; S84-L88 PolarHBondContact O-N 2.98Å; S84-L88 VanDerWaalsContact O-N 3.08Å; L88-A90 PolarHBondContact O-N 2.93Å; L88-W182 HydrophobicContact CD2-CB 4.45Å; L88-W182 HydrophobicContact CD2-CD2 4.32Å; L88-W182 HydrophobicContact CD2-CG 3.83Å
89	P	37.9	Very low	45.5	Very low	79 Å²	79	98 Å²	98	51%	0.513	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-56.3	139.7	166.1	-22	33	0	0	0	109.9	E91 M632	P89-E91 PolarHBondContact O-N 3.46Å; P89-M632 HydrophobicContact CG-CB 4.42Å
90	A	36.3	Very low	43.4	Very low	79 Å²	79	107.7 Å²	107.7	65%	0.653	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-59.9	124.1	166	0	0	0	0	0	108.3	L88 H92	L88-A90 PolarHBondContact O-N 2.93Å; A90-H92 PolarHBondContact O-N 3.36Å
91	E	31.5	Very low	41.5	Very low	148 Å²	148	111.8 Å²	111.8	69%	0.692	60%	0.597	S	S	*	*			trans	-67	83.6	172	-71.3	-172.5	142.7	0	0	108.4	P89 R181	P89-E91 PolarHBondContact O-N 3.46Å; E91-R181 IonicContact OE1-NH1 2.7Å; E91-R181 IonicContact OE2-NH1 2.76Å; E91-R181 PolarHBondContact OE2-NH1 3.18Å
92	H	27.7	Very low	39.7	Very low	158 Å²	158	114.7 Å²	114.7	73%	0.731	61%	0.612	S	S	*	*			trans	-55	131.3	160.9	-81.7	-87	0	0	0	107.6	A90 V94	A90-H92 PolarHBondContact O-N 3.36Å; H92-V94 PolarHBondContact O-N 2.86Å
93	P	28	Very low	37.7	Very low	109 Å²	109	118.9 Å²	118.9	71%	0.708	63%	0.634	S	S	*	*			trans	-62.4	123.2	177.7	26.4	-33	0	0	0	108.8	S95	P93-S95 PolarHBondContact O-N 3.14Å
94	V	26.5	Very low	35.9	Very low	158 Å²	158	128 Å²	128	96%	0.958	67%	0.673	S	S	*	*			trans	-80.5	78.4	173.8	-176.1	0	0	0	0	108.1	H92	H92-V94 PolarHBondContact O-N 2.86Å
95	S	26.3	Very low	34.1	Very low	75 Å²	75	134.2 Å²	134.2	52%	0.524	71%	0.705	S	S	.	*			trans	-110.5	159.5	160.1	63.7	0	0	0	0	109.7	P93	P93-S95 PolarHBondContact O-N 3.14Å
96	D	27	Very low	32.8	Very low	136 Å²	136	135.5 Å²	135.5	73%	0.727	71%	0.713	S	S	*	*			trans	71.1	64.7	159	-41.9	-41.4	0	0	0	118.2
97	I	27.5	Very low	31.4	Very low	177 Å²	177	137 Å²	137	91%	0.908	72%	0.718	S	S	*	*	S	Bend	trans	-125.8	70.9	131.1	-49.3	-179.4	0	0	0	109.6
98	M	28	Very low	30.6	Very low	164 Å²	164	140.1 Å²	140.1	81%	0.808	74%	0.744	S	S	*	*	S	Bend	trans	-174.1	143.4	135	-105.5	-177	173.5	0	0	112.3
99	N	30.7	Very low	29.6	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	77%	0.766	S	S	*	*			trans	61.3	114	168.5	-64.8	-2.4	0	0	0	119.4
100	K	27.6	Very low	29.2	Very low	215 Å²	215	149.7 Å²	149.7	94%	0.935	78%	0.778	S	S	*	*			trans	-80	121.2	163.8	-62.1	168.2	177.4	172.9	0	110.3
101	S	28.5	Very low	28.9	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	76%	0.762	S	S	*	*			trans	-167.4	160.1	145.6	51	0	0	0	0	112
102	E	30.3	Very low	28.7	Very low	191 Å²	191	147.8 Å²	147.8	89%	0.893	76%	0.756	S	S	*	*			trans	65.5	96.5	165	-50.1	-145.8	111.8	0	0	118.7
103	K	28.5	Very low	28.9	Very low	203 Å²	203	144.7 Å²	144.7	88%	0.883	75%	0.745	S	S	*	*			trans	-76.6	139.2	156.9	-60.5	172.4	178.3	176.4	0	109.9
104	K	29.1	Very low	29.1	Very low	198 Å²	198	144.9 Å²	144.9	86%	0.861	74%	0.736	S	S	*	*				-172.2	133	128.6	-102.7	155.6	-173.5	177.7	0	112.8
105	N	27.5	Very low	29.3	Very low	145 Å²	145	142.7 Å²	142.7	78%	0.775	71%	0.711	S	S	*	*			trans	38.4	105.8	156.9	-59.4	-0.1	0	0	0	119.9
106	I	30.1	Very low	29.6	Very low	173 Å²	173	145.9 Å²	145.9	89%	0.887	72%	0.715	S	S	*	*				-174.8	141.6	100.8	-88.6	152.8	0	0	0	109.4
107	N	29.3	Very low	29.9	Very low	112 Å²	112	148.1 Å²	148.1	60%	0.599	71%	0.714	S	S	*	*			trans	-143	152.2	175.4	-151.1	18.1	0	0	0	106.5	Q109	N107-Q109 PolarHBondContact ND2-OE1 3.41Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.39Å; N107-Q109 PolarHBondContact OD1-N 3.09Å
108	P	36.1	Very low	30.1	Very low	121 Å²	121	148.1 Å²	148.1	79%	0.786	70%	0.702	S	S	*	*				-138.4	111.9	61.9	31.8	-10.7	0	0	0	115.9
109	Q	26.8	Very low	30.3	Very low	147 Å²	147	148.4 Å²	148.4	69%	0.687	69%	0.694	S	S	*	*				27.7	100.4	118.8	-171.5	168.7	-4.1	0	0	118.1	N107	N107-Q109 PolarHBondContact ND2-OE1 3.41Å; N107-Q109 WeakPolarHBondContact OD1-CB 3.39Å; N107-Q109 PolarHBondContact OD1-N 3.09Å
110	F	29.7	Very low	30.3	Very low	175 Å²	175	144.8 Å²	144.8	77%	0.768	68%	0.681	S	S	*	*			trans	-86.3	104.6	163.6	-174.7	-89.6	0	0	0	110.1	F112	F110-F112 PolarHBondContact O-N 2.04Å
111	D	29.6	Very low	30.6	Very low	60 Å²	60	140.6 Å²	140.6	32%	0.321	67%	0.667	S	S	.	*			trans	-75.1	112.6	-179.8	174.8	34.5	0	0	0	112.5	N113 Q114	D111-N113 PolarHBondContact O-N 3.07Å; D111-N113 WeakPolarHBondContact OD1-CB 3.35Å; D111-N113 PolarHBondContact OD1-N 2.94Å; D111-N113 PolarHBondContact OD1-ND2 2.95Å; D111-N113 WeakPolarHBondContact OD2-CB 3.43Å; D111-Q114 HydrophobicContact CB-CB 4.18Å; D111-Q114 WeakPolarHBondContact O-CB 3.33Å; D111-Q114 PolarHBondContact O-N 3.12Å; D111-Q114 PolarHBondContact OD2-N 3.03Å
112	F	28.3	Very low	30.8	Very low	128 Å²	128	142.7 Å²	142.7	56%	0.561	67%	0.669	S	S	*	*	H	α-helix	trans	-63.3	-22.8	177	-159.4	-106.6	0	0	0	113	F110 K116	F110-F112 PolarHBondContact O-N 2.04Å; F112-K116 PolarHBondContact O-N 2.9Å
113	N	30.8	Very low	30.8	Very low	93 Å²	93	140.1 Å²	140.1	50%	0.497	66%	0.662	S	S	.	*	H	α-helix	trans	-77.6	-32.9	176.7	-55.3	-73.6	0	0	0	112.2	D111 W115 K116 R117	D111-N113 PolarHBondContact O-N 3.07Å; D111-N113 WeakPolarHBondContact OD1-CB 3.35Å; D111-N113 PolarHBondContact OD1-N 2.94Å; D111-N113 PolarHBondContact OD1-ND2 2.95Å; D111-N113 WeakPolarHBondContact OD2-CB 3.43Å; N113-W115 VanDerWaalsContact C-N 3.26Å; N113-W115 PolarHBondContact O-N 3.45Å; N113-K116 WeakPolarHBondContact O-CB 3.35Å; N113-K116 PolarHBondContact O-N 3.05Å; N113-K116 VanDerWaalsContact O-N 3.16Å; N113-R117 PolarHBondContact O-N 2.89Å
114	Q	32.7	Very low	30.7	Very low	112 Å²	112	140.4 Å²	140.4	52%	0.523	66%	0.659	S	S	.	*	H	α-helix	trans	-61.7	-34.5	171.8	-156.2	-177	60.3	0	0	111.7	D111 R117 R118	D111-Q114 HydrophobicContact CB-CB 4.18Å; D111-Q114 WeakPolarHBondContact O-CB 3.33Å; D111-Q114 PolarHBondContact O-N 3.12Å; D111-Q114 PolarHBondContact OD2-N 3.03Å; Q114-R117 PolarHBondContact O-N 3.33Å; Q114-R118 PolarHBondContact O-N 2.86Å
115	W	31.6	Very low	30.7	Very low	113 Å²	113	142 Å²	142	43%	0.428	66%	0.66	S	S	.	*	H	α-helix	trans	-67	-41.2	171.8	-173.2	73.8	0	0	0	112.7	N113 R118 R119	N113-W115 VanDerWaalsContact C-N 3.26Å; N113-W115 PolarHBondContact O-N 3.45Å; W115-R118 PolarHBondContact O-N 2.83Å; W115-R119 PolarHBondContact O-N 2.83Å
116	K	31.9	Very low	30.7	Very low	142 Å²	142	142.4 Å²	142.4	62%	0.617	66%	0.662	S	S	*	*	H	α-helix	trans	-58.6	-48.3	171.3	-97.8	-176.2	174.1	-179.8	0	111.8	F112 N113 R118 R119	F112-K116 PolarHBondContact O-N 2.9Å; N113-K116 WeakPolarHBondContact O-CB 3.35Å; N113-K116 PolarHBondContact O-N 3.05Å; N113-K116 VanDerWaalsContact O-N 3.16Å; K116-R118 PolarHBondContact O-N 2.85Å; K116-R119 PolarHBondContact O-N 3.18Å; K116-R119 VanDerWaalsContact O-N 3.08Å
117	R	33.3	Very low	30.6	Very low	183 Å²	183	145.7 Å²	145.7	69%	0.691	66%	0.663	S	S	*	*	H	α-helix	trans	-63.6	-34.2	179.1	-74.2	179.9	174.3	161.6	-2.2	113.6	N113 Q114 R119 S120	N113-R117 PolarHBondContact O-N 2.89Å; Q114-R117 PolarHBondContact O-N 3.33Å; R117-R119 PolarHBondContact O-N 3.4Å; R117-S120 PolarHBondContact O-OG 3.2Å
118	R	31.6	Very low	30.9	Very low	177 Å²	177	146 Å²	146	67%	0.668	67%	0.674	S	S	*	*	H	α-helix	trans	-70.2	-18.5	173.8	-80.3	-178.5	163.9	173.5	-5.3	113.6	Q114 W115 K116	Q114-R118 PolarHBondContact O-N 2.86Å; W115-R118 PolarHBondContact O-N 2.83Å; K116-R118 PolarHBondContact O-N 2.85Å
119	R	31.6	Very low	30.7	Very low	169 Å²	169	146.2 Å²	146.2	64%	0.638	68%	0.675	S	S	*	*	H	α-helix	trans	-87.8	-18.2	180	-150.7	168	-175.7	-173.7	-4.6	114.2	W115 K116 R117 I121	W115-R119 PolarHBondContact O-N 2.83Å; K116-R119 PolarHBondContact O-N 3.18Å; K116-R119 VanDerWaalsContact O-N 3.08Å; R117-R119 PolarHBondContact O-N 3.4Å; R119-I121 VanDerWaalsContact C-N 3.25Å
120	S	31.4	Very low	30.9	Very low	77 Å²	77	147.1 Å²	147.1	54%	0.538	68%	0.684	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-2	168.3	47.4	0	0	0	0	114	R117	R117-S120 PolarHBondContact O-OG 3.2Å
121	I	34.6	Very low	31	Very low	126 Å²	126	147.1 Å²	147.1	65%	0.646	69%	0.686	S	S	*	*	S	Bend	trans	-99.4	-10.9	-178.8	-62.9	172.5	0	0	0	112	R119	R119-I121 VanDerWaalsContact C-N 3.25Å
122	L	31.6	Very low	31.1	Very low	151 Å²	151	150.7 Å²	150.7	79%	0.791	70%	0.704	S	S	*	*	S	Bend	trans	-99.9	-2.8	177.2	-110	73.4	0	0	0	115
123	N	31	Very low	31.3	Very low	137 Å²	137	150.5 Å²	150.5	73%	0.733	71%	0.708	S	S	*	*	S	Bend	trans	-118.2	32.9	-178.6	-76.9	32	0	0	0	112.2
124	Y	26.6	Very low	31.3	Very low	210 Å²	210	153.4 Å²	153.4	82%	0.824	72%	0.719	S	S	*	*			trans	-144.7	81.2	173.8	-101.4	-78.6	0	0	0	111.4
125	R	28.1	Very low	31.3	Very low	232 Å²	232	156.3 Å²	156.3	88%	0.875	73%	0.732	S	S	*	*			trans	-135.2	160.6	148.9	-99.6	-177.1	163.6	140	-2.5	107.6
126	D	29	Very low	31.4	Very low	153 Å²	153	156.6 Å²	156.6	82%	0.818	75%	0.746	S	S	*	*			trans	66	57.7	172.7	-46	-24.1	0	0	0	116.3
127	R	28.2	Very low	31.5	Very low	241 Å²	241	158.7 Å²	158.7	91%	0.909	76%	0.758	S	S	*	*			trans	-140.7	86.8	146.9	-76.4	-159.1	177.2	-146.8	-3	111.3
128	S	34.2	Very low	31.6	Very low	119 Å²	119	155.4 Å²	155.4	83%	0.832	76%	0.76	S	S	*	*			trans	-96.7	122.6	162.6	-61.3	0	0	0	0	108.8
129	P	33.1	Very low	31.8	Very low	125 Å²	125	153.5 Å²	153.5	81%	0.812	77%	0.769	S	S	*	*			trans	-84.6	131.5	175.8	32.3	-31.1	0	0	0	110.8
130	L	30.9	Very low	31.8	Very low	167 Å²	167	153.5 Å²	153.5	87%	0.874	78%	0.781	S	S	*	*			trans	-132.5	127.7	165	-77.2	173	0	0	0	112.2
131	H	30.6	Very low	31.9	Very low	174 Å²	174	153.5 Å²	153.5	81%	0.806	79%	0.794	S	S	*	*			trans	-148.3	126.7	167	-116.1	40.4	0	0	0	100.9
132	I	31.2	Very low	31.7	Very low	135 Å²	135	155.7 Å²	155.7	69%	0.692	80%	0.803	S	S	*	*			cis	-156.5	173	46.9	-98.1	144	0	0	0	110.1
133	D	32.9	Very low	31.8	Very low	124 Å²	124	154.6 Å²	154.6	66%	0.663	80%	0.797	S	S	*	*			trans	81.4	103.1	163.5	-73.8	-28	0	0	0	122.5
134	Q	31.4	Very low	31.8	Very low	155 Å²	155	154.6 Å²	154.6	72%	0.724	80%	0.797	S	S	*	*				77.8	110.4	119	-67.3	179.7	55	0	0	122.8
135	H	32.7	Very low	32	Very low	172 Å²	172	149.9 Å²	149.9	80%	0.796	79%	0.79	S	S	*	*				96.8	130.8	126.3	-99.6	-85.6	0	0	0	123.3
136	V	34	Very low	32.2	Very low	119 Å²	119	146.7 Å²	146.7	72%	0.721	79%	0.791	S	S	*	*			trans	67.1	89.1	158.6	-163.7	0	0	0	0	120.6
137	Q	34.7	Very low	32.1	Very low	186 Å²	186	143.3 Å²	143.3	87%	0.869	78%	0.784	S	S	*	*				47.5	156.6	126.8	-73.6	-164.8	-12.9	0	0	124.8
138	P	35.1	Very low	32.1	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	78%	0.78	S	S	*	*			trans	-118.2	170.7	-169.2	43.4	-31.2	0	0	0	115.7
139	T	36.1	Very low	32	Very low	138 Å²	138	141.9 Å²	141.9	85%	0.847	78%	0.779	S	S	*	*			trans	-146.1	152.1	159.4	48.7	0	0	0	0	112.3
140	D	29.7	Very low	31.8	Very low	168 Å²	168	143 Å²	143	90%	0.898	77%	0.772	S	S	*	*			trans	-68	168.9	-174.1	-54	-88.6	0	0	0	116.6
141	G	33.6	Very low	31.8	Very low	77 Å²	77	141.5 Å²	141.5	79%	0.794	76%	0.764	S	S	*	*			trans	-177.1	95.2	171.4	0	0	0	0	0	116.3
142	M	32.1	Very low	31.8	Very low	172 Å²	172	141.2 Å²	141.2	85%	0.847	76%	0.761	S	S	*	*			trans	-21	161.7	151.3	-74.5	176.8	66.4	0	0	118.7
143	I	32.2	Very low	31.8	Very low	128 Å²	128	146.3 Å²	146.3	66%	0.656	77%	0.771	S	S	*	*			cis	-173.7	-167.4	-21.3	-141.3	167.8	0	0	0	107
144	D	31.7	Very low	31.6	Very low	137 Å²	137	147.1 Å²	147.1	73%	0.733	77%	0.774	S	S	*	*			trans	68.7	108.5	165.1	-69.4	-23.6	0	0	0	122.4
145	T	30.6	Very low	31.6	Very low	111 Å²	111	149 Å²	149	68%	0.681	78%	0.78	S	S	*	*			trans	2.7	141.4	133.1	57.6	0	0	0	0	120.5
146	N	32	Very low	31.5	Very low	166 Å²	166	147.1 Å²	147.1	89%	0.888	78%	0.781	S	S	*	*				-156.8	159.2	115.2	-106.3	-55.4	0	0	0	112.5
147	A	27.6	Very low	31.3	Very low	82 Å²	82	148.9 Å²	148.9	68%	0.678	79%	0.785	S	S	*	*			trans	-102.6	-178.3	179.2	0	0	0	0	0	112.2
148	D	28.5	Very low	31	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	77%	0.769	S	S	*	*			trans	54.2	97.4	168.5	-66.1	-13.1	0	0	0	118.4
149	Q	31.3	Very low	30.9	Very low	174 Å²	174	144.3 Å²	144.3	81%	0.813	77%	0.766	S	S	*	*			trans	-154.8	139.8	136	-117.7	175.7	52.4	0	0	115.3
150	F	29.6	Very low	30.7	Very low	149 Å²	149	145 Å²	145	65%	0.654	76%	0.764	S	S	*	*			trans	63.4	67.6	161.2	-70	-68	0	0	0	120.6	K152	F150-K152 HydrophobicContact CD1-CB 4.37Å; F150-K152 HydrophobicContact CD1-CD 4Å; F150-K152 HydrophobicContact CE1-CD 4.13Å; F150-K152 PolarHBondContact O-N 3.03Å
151	D	29.6	Very low	30.8	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	75%	0.748	S	S	*	*			trans	-65	112.6	136.7	177.2	18.4	0	0	0	109.7
152	K	31.9	Very low	30.8	Very low	169 Å²	169	142.5 Å²	142.5	74%	0.735	74%	0.738	S	S	*	*			trans	-165.2	42.3	173.8	-123.3	161.3	-171	170.4	0	116.9	F150	F150-K152 HydrophobicContact CD1-CB 4.37Å; F150-K152 HydrophobicContact CD1-CD 4Å; F150-K152 HydrophobicContact CE1-CD 4.13Å; F150-K152 PolarHBondContact O-N 3.03Å
153	R	29.8	Very low	30.7	Very low	241 Å²	241	139.7 Å²	139.7	91%	0.909	73%	0.731	S	S	*	*			trans	-148.9	25	169.3	-122.3	164	-170.5	176.1	2	119	K155	R153-K155 PolarHBondContact O-N 2.99Å
154	I	30.2	Very low	30.8	Very low	141 Å²	141	140.8 Å²	140.8	72%	0.723	74%	0.736	S	S	*	*			trans	-73.9	85.2	167.1	-53.9	179	0	0	0	110.1
155	K	30.6	Very low	30.6	Very low	194 Å²	194	141.9 Å²	141.9	84%	0.843	74%	0.737	S	S	*	*			trans	-156	18.9	166.6	-133.8	-178.2	-177.1	-177.6	0	118.1	R153	R153-K155 PolarHBondContact O-N 2.99Å
156	V	31.1	Very low	30.5	Very low	134 Å²	134	140.8 Å²	140.8	81%	0.812	73%	0.734	S	S	*	*	S	Bend	trans	-138.3	46.6	174.4	-159.6	0	0	0	0	111.5
157	L	29	Very low	30.4	Very low	156 Å²	156	140.2 Å²	140.2	82%	0.817	73%	0.731	S	S	*	*			trans	-135.9	13.6	-179	-77	176.8	0	0	0	114.5
158	S	30	Very low	30.4	Very low	75 Å²	75	143.6 Å²	143.6	52%	0.524	73%	0.733	S	S	.	*	S	Bend	trans	-85.5	-36.3	175.7	46	0	0	0	0	113.5
159	D	32.7	Very low	30.2	Very low	129 Å²	129	145 Å²	145	69%	0.69	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-10.8	-156.6	-62	7.5	0	0	0	114
160	L	32.3	Very low	29.9	Very low	153 Å²	153	141.3 Å²	141.3	80%	0.801	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-3.5	176	-83.5	165.6	0	0	0	114.1
161	S	30.9	Very low	29.7	Very low	79 Å²	79	140.8 Å²	140.8	55%	0.552	74%	0.735	S	S	*	*	S	Bend	trans	-79.7	-22.5	176.1	-163.9	0	0	0	0	113.3
162	N	32.5	Very low	29.4	Very low	112 Å²	112	140 Å²	140	60%	0.599	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	7.1	-160.3	-62	-15.4	0	0	0	114.8
163	V	31.1	Very low	29.1	Very low	114 Å²	114	137.5 Å²	137.5	69%	0.691	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-4.3	-177	-175.7	0	0	0	0	112.5
164	I	33.2	Very low	29	Very low	150 Å²	150	135.7 Å²	135.7	77%	0.769	74%	0.737	S	S	*	*	S	Bend	trans	-103.2	-16.9	-179.2	-62.5	179.7	0	0	0	112.4	S166	I164-S166 VanDerWaalsContact C-N 3.35Å; I164-S166 PolarHBondContact O-N 2.92Å
165	E	28.8	Very low	29	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.752	74%	0.743	S	S	*	*	S	Bend	trans	-81.9	-5.4	-178.8	-63.1	-159.3	128.6	0	0	114.8
166	S	27.8	Very low	29.4	Very low	88 Å²	88	135.3 Å²	135.3	62%	0.615	72%	0.724	S	S	*	*	S	Bend	trans	-115.5	48.4	-172	71	0	0	0	0	114.8	I164	I164-S166 VanDerWaalsContact C-N 3.35Å; I164-S166 PolarHBondContact O-N 2.92Å
167	N	30.1	Very low	30.2	Very low	153 Å²	153	131.7 Å²	131.7	82%	0.818	70%	0.704	S	S	*	*	S	Bend	trans	-163.5	153.2	155.4	-110.9	-51.3	0	0	0	114.4
168	Q	27.8	Very low	30.8	Very low	153 Å²	153	127.4 Å²	127.4	72%	0.715	69%	0.687	S	S	*	*			trans	66	74.4	174.1	-57.4	-168.8	24	0	0	118.2	T170	Q168-T170 HydrophobicContact CB-CG2 4.17Å; Q168-T170 PolarHBondContact O-N 3.28Å
169	M	23.6	Very low	31.4	Very low	185 Å²	185	124.5 Å²	124.5	91%	0.911	67%	0.666	S	S	*	*			trans	-62.7	91.1	139	-75.4	-177.8	72.7	0	0	109.3
170	T	25.8	Very low	32.1	Very low	96 Å²	96	119.7 Å²	119.7	59%	0.589	64%	0.641	S	S	*	*			trans	-122.2	145.1	165.3	62.5	0	0	0	0	110.6	Q168 C172	Q168-T170 HydrophobicContact CB-CG2 4.17Å; Q168-T170 PolarHBondContact O-N 3.28Å; T170-C172 VanDerWaalsContact C-N 3.27Å; T170-C172 PolarHBondContact O-N 2.8Å
171	T	24.3	Very low	32.8	Very low	139 Å²	139	117.3 Å²	117.3	85%	0.853	62%	0.621	S	S	*	*			trans	-77.3	73.2	-171.2	40.6	0	0	0	0	111.9	T173	T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 2.92Å
172	C	23.3	Very low	33.6	Very low	118 Å²	118	115 Å²	115	80%	0.797	60%	0.601	S	S	*	*			trans	-66.8	84.8	177.6	-162.6	0	0	0	0	111.3	T170 K174	T170-C172 VanDerWaalsContact C-N 3.27Å; T170-C172 PolarHBondContact O-N 2.8Å; C172-K174 PolarHBondContact O-N 3.43Å; C172-K174 VanDerWaalsContact O-N 3.14Å
173	T	25.5	Very low	34.5	Very low	116 Å²	116	109.7 Å²	109.7	71%	0.712	57%	0.572	S	S	*	*			trans	-58	117.1	172.7	51.1	0	0	0	0	109.1	T171 R175	T171-T173 VanDerWaalsContact C-N 3.29Å; T171-T173 PolarHBondContact O-N 2.92Å; T173-R175 VanDerWaalsContact C-N 3.35Å; T173-R175 PolarHBondContact O-N 3.29Å
174	K	29.6	Very low	35.8	Very low	203 Å²	203	106.4 Å²	106.4	88%	0.883	55%	0.549	S	S	*	.			trans	-59.4	92.9	-178.8	-75.9	-177.2	175.1	178.3	0	110.3	C172 K176	C172-K174 PolarHBondContact O-N 3.43Å; C172-K174 VanDerWaalsContact O-N 3.14Å; K174-K176 PolarHBondContact O-N 3.28Å
175	R	29.9	Very low	36.5	Very low	227 Å²	227	105.1 Å²	105.1	86%	0.857	54%	0.538	S	S	*	.			trans	-60.7	104.8	177.6	-82.3	-176.5	168.2	-178.4	-3.4	109.1	T173 S177	T173-R175 VanDerWaalsContact C-N 3.35Å; T173-R175 PolarHBondContact O-N 3.29Å; R175-S177 PolarHBondContact O-N 2.99Å
176	K	38.4	Very low	37.2	Very low	101 Å²	101	97.7 Å²	97.7	44%	0.439	50%	0.503	S	S	.	.			trans	-52.8	136.4	174.6	-58.9	-169.1	-178	-167.1	0	110	K174 R181 E184	K174-K176 PolarHBondContact O-N 3.28Å; K176-R181 HydrophobicContact CB-CG 4.25Å; K176-R181 PolarHBondContact O-NE 3.04Å; K176-R181 PolarHBondContact O-NH2 3.35Å; K176-R181 VanDerWaalsContact O-NH2 3.09Å; K176-E184 WeakPolarHBondContact CD-OE1 3.4Å; K176-E184 WeakPolarHBondContact CD-OE2 3.41Å; K176-E184 IonicContact NZ-OE1 3.9Å; K176-E184 PolarHBondContact NZ-OE1 2.88Å; K176-E184 IonicContact NZ-OE2 3.32Å; K176-E184 PolarHBondContact NZ-OE2 3.06Å
177	S	48	Very low	38.1	Very low	58 Å²	58	94 Å²	94	41%	0.406	48%	0.477	S	S	.	.			trans	-54	152.3	177.6	84.7	0	0	0	0	110.4	R175 L179 T180 R181	R175-S177 PolarHBondContact O-N 2.99Å; S177-L179 PolarHBondContact O-N 2.86Å; S177-T180 PolarHBondContact O-N 3.27Å; S177-T180 VanDerWaalsContact O-N 3.15Å; S177-T180 WeakPolarHBondContact OG-CB 3.48Å; S177-T180 PolarHBondContact OG-N 2.79Å; S177-T180 PolarHBondContact OG-OG1 3Å; S177-R181 PolarHBondContact O-N 3.46Å
178	S	40.6	Very low	38.7	Very low	65 Å²	65	92.6 Å²	92.6	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-55.2	-42.3	177.8	46.6	0	0	0	0	111.5	R181 W182	S178-R181 PolarHBondContact O-N 2.88Å; S178-W182 WeakPolarHBondContact O-CB 3.42Å; S178-W182 PolarHBondContact O-N 3.05Å
179	L	42.7	Very low	39.2	Very low	14 Å²	14	89 Å²	89	7%	0.073	45%	0.447	C	S	.	.	H	α-helix	trans	-63.3	-46.8	174.9	-169.9	99.5	0	0	0	112.5	V80 S84 S177 R181 W182 F183	V80-L179 HydrophobicContact CG1-CD1 3.92Å; V80-L179 HydrophobicContact CG1-CD2 3.47Å; V80-L179 VanDerWaalsContact CG1-CD2 3.47Å; V80-L179 HydrophobicContact CG1-CG 4.17Å; S84-L179 WeakPolarHBondContact OG-CD1 3.47Å; S177-L179 PolarHBondContact O-N 2.86Å; L179-R181 VanDerWaalsContact C-N 3.32Å; L179-R181 PolarHBondContact O-N 2.88Å; L179-W182 CarbonylContact O-C 3.59Å; L179-W182 WeakPolarHBondContact O-CA 3.17Å; L179-W182 WeakPolarHBondContact O-CB 3.39Å; L179-W182 PolarHBondContact O-N 3.37Å; L179-W182 VanDerWaalsContact O-N 3.08Å; L179-F183 HydrophobicContact CD1-CE2 4.14Å; L179-F183 HydrophobicContact CD2-CD2 3.94Å; L179-F183 HydrophobicContact CD2-CE2 3.75Å; L179-F183 HydrophobicContact CG-CD2 3.81Å; L179-F183 HydrophobicContact CG-CE2 3.81Å; L179-F183 WeakPolarHBondContact O-CD2 3.38Å; L179-F183 PolarHBondContact O-N 3.18Å
180	T	47.1	Very low	39.4	Very low	28 Å²	28	83 Å²	83	17%	0.172	42%	0.421	C	S	.	.	H	α-helix	trans	-62.8	-40.3	177.5	-51	0	0	0	0	111	S177 W182 F183 E184 S578	S177-T180 PolarHBondContact O-N 3.27Å; S177-T180 VanDerWaalsContact O-N 3.15Å; S177-T180 WeakPolarHBondContact OG-CB 3.48Å; S177-T180 PolarHBondContact OG-N 2.79Å; S177-T180 PolarHBondContact OG-OG1 3Å; T180-W182 VanDerWaalsContact C-N 3.32Å; T180-W182 PolarHBondContact O-N 3.12Å; T180-F183 PolarHBondContact O-N 2.94Å; T180-E184 WeakPolarHBondContact O-CB 3.49Å; T180-E184 WeakPolarHBondContact O-CG 3.21Å; T180-E184 PolarHBondContact O-N 3.27Å; T180-S578 PolarHBondContact OG1-OG 2.79Å
181	R	48	Very low	39.8	Very low	103 Å²	103	85.1 Å²	85.1	39%	0.389	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-38.8	171.6	-108.2	-177.3	-69.6	145.8	-2.6	111.9	E91 K176 S177 S178 L179 K185	E91-R181 IonicContact OE1-NH1 2.7Å; E91-R181 IonicContact OE2-NH1 2.76Å; E91-R181 PolarHBondContact OE2-NH1 3.18Å; K176-R181 HydrophobicContact CB-CG 4.25Å; K176-R181 PolarHBondContact O-NE 3.04Å; K176-R181 PolarHBondContact O-NH2 3.35Å; K176-R181 VanDerWaalsContact O-NH2 3.09Å; S177-R181 PolarHBondContact O-N 3.46Å; S178-R181 PolarHBondContact O-N 2.88Å; L179-R181 VanDerWaalsContact C-N 3.32Å; L179-R181 PolarHBondContact O-N 2.88Å; R181-K185 WeakPolarHBondContact O-CB 3.41Å; R181-K185 PolarHBondContact O-N 2.84Å
182	W	47.9	Very low	40	Very low	32 Å²	32	88.2 Å²	88.2	12%	0.121	42%	0.415	C	S	.	.	H	α-helix	trans	-67.7	-48.1	177.3	-171.8	96	0	0	0	111.4	L88 S178 L179 T180 E184 K185 N186 L619 T622 V629	L88-W182 HydrophobicContact CD2-CB 4.45Å; L88-W182 HydrophobicContact CD2-CD2 4.32Å; L88-W182 HydrophobicContact CD2-CG 3.83Å; S178-W182 WeakPolarHBondContact O-CB 3.42Å; S178-W182 PolarHBondContact O-N 3.05Å; L179-W182 CarbonylContact O-C 3.59Å; L179-W182 WeakPolarHBondContact O-CA 3.17Å; L179-W182 WeakPolarHBondContact O-CB 3.39Å; L179-W182 PolarHBondContact O-N 3.37Å; L179-W182 VanDerWaalsContact O-N 3.08Å; T180-W182 VanDerWaalsContact C-N 3.32Å; T180-W182 PolarHBondContact O-N 3.12Å; W182-E184 PolarHBondContact O-N 3.5Å; W182-K185 CarbonylContact O-C 3.39Å; W182-K185 PolarHBondContact O-N 2.81Å; W182-N186 HydrophobicContact CD2-CB 4.39Å; W182-N186 PolarHBondContact NE1-ND2 3.23Å; W182-N186 WeakPolarHBondContact O-CA 3.49Å; W182-N186 WeakPolarHBondContact O-CB 3.39Å; W182-N186 PolarHBondContact O-N 2.91Å; W182-N186 PolarHBondContact O-ND2 2.91Å; W182-L619 HydrophobicContact CH2-CD2 4.29Å; W182-L619 HydrophobicContact CZ3-CD2 3.75Å; W182-T622 HydrophobicContact CE3-CG2 4.49Å; W182-T622 HydrophobicContact CH2-CG2 3.4Å; W182-T622 VanDerWaalsContact CH2-CG2 3.4Å; W182-T622 HydrophobicContact CZ2-CG2 4.15Å; W182-T622 HydrophobicContact CZ3-CG2 3.59Å; W182-V629 HydrophobicContact CZ2-CG2 3.89Å
183	F	51.2	Low	40.1	Very low	0 Å²	0	86.8 Å²	86.8	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-57.4	-48.4	172.8	-89.9	-81.3	0	0	0	111.9	L179 T180 K185 N186 V187 I581 Y615 L619	L179-F183 HydrophobicContact CD1-CE2 4.14Å; L179-F183 HydrophobicContact CD2-CD2 3.94Å; L179-F183 HydrophobicContact CD2-CE2 3.75Å; L179-F183 HydrophobicContact CG-CD2 3.81Å; L179-F183 HydrophobicContact CG-CE2 3.81Å; L179-F183 WeakPolarHBondContact O-CD2 3.38Å; L179-F183 PolarHBondContact O-N 3.18Å; T180-F183 PolarHBondContact O-N 2.94Å; F183-K185 PolarHBondContact O-N 2.79Å; F183-N186 PolarHBondContact O-N 2.87Å; F183-V187 HydrophobicContact CD1-CB 3.91Å; F183-V187 HydrophobicContact CD1-CG1 4.4Å; F183-V187 HydrophobicContact CD1-CG2 3.36Å; F183-V187 HydrophobicContact CE1-CG2 3.8Å; F183-V187 HydrophobicContact CG-CG2 4.3Å; F183-V187 WeakPolarHBondContact O-CA 3.48Å; F183-V187 WeakPolarHBondContact O-CB 3.4Å; F183-V187 PolarHBondContact O-N 2.82Å; F183-I581 HydrophobicContact CD1-CD1 3.37Å; F183-I581 HydrophobicContact CE1-CD1 3.58Å; F183-I581 HydrophobicContact CG-CD1 4.28Å; F183-Y615 HydrophobicContact CE2-CE1 4.11Å; F183-Y615 AromaticContact CE2-CZ 3.99Å; F183-Y615 VanDerWaalsContact CE2-OH 3.3Å; F183-Y615 WeakPolarHBondContact CE2-OH 3.42Å; F183-Y615 AromaticContact CZ-CE1 3.87Å; F183-Y615 HydrophobicContact CZ-CE1 3.87Å; F183-Y615 AromaticContact CZ-CZ 3.82Å; F183-L619 HydrophobicContact CE1-CD2 4.4Å; F183-L619 HydrophobicContact CE2-CD2 3.69Å; F183-L619 HydrophobicContact CZ-CD2 3.44Å; F183-L619 VanDerWaalsContact CZ-CD2 3.44Å; F183-L619 HydrophobicContact CZ-CG 4.14Å
184	E	57.3	Low	40.1	Very low	45 Å²	45	88.8 Å²	88.8	21%	0.21	41%	0.412	C	S	.	.	H	α-helix	trans	-64	-27.8	178.5	-75.5	-180	-165.9	0	0	113.7	K176 T180 W182 K188	K176-E184 WeakPolarHBondContact CD-OE1 3.4Å; K176-E184 WeakPolarHBondContact CD-OE2 3.41Å; K176-E184 IonicContact NZ-OE1 3.9Å; K176-E184 PolarHBondContact NZ-OE1 2.88Å; K176-E184 IonicContact NZ-OE2 3.32Å; K176-E184 PolarHBondContact NZ-OE2 3.06Å; T180-E184 WeakPolarHBondContact O-CB 3.49Å; T180-E184 WeakPolarHBondContact O-CG 3.21Å; T180-E184 PolarHBondContact O-N 3.27Å; W182-E184 PolarHBondContact O-N 3.5Å; E184-K188 WeakPolarHBondContact O-CD 3.5Å; E184-K188 WeakPolarHBondContact O-CG 3.23Å
185	K	48.4	Very low	40	Very low	122 Å²	122	84.2 Å²	84.2	53%	0.53	40%	0.403	S	S	.	.	H	α-helix	trans	-90.8	-25.4	-179.7	-173.5	176.5	-179.9	-179	0	113.4	R181 W182 F183	R181-K185 WeakPolarHBondContact O-CB 3.41Å; R181-K185 PolarHBondContact O-N 2.84Å; W182-K185 CarbonylContact O-C 3.39Å; W182-K185 PolarHBondContact O-N 2.81Å; F183-K185 PolarHBondContact O-N 2.79Å
186	N	43.3	Very low	39.9	Very low	5 Å²	5	82.3 Å²	82.3	3%	0.027	40%	0.403	C	S	.	.	H	α-helix	trans	-126.5	-20.2	-168.5	-62.5	-41.3	0	0	0	115.5	W182 F183 T622 N626 N628	W182-N186 HydrophobicContact CD2-CB 4.39Å; W182-N186 PolarHBondContact NE1-ND2 3.23Å; W182-N186 WeakPolarHBondContact O-CA 3.49Å; W182-N186 WeakPolarHBondContact O-CB 3.39Å; W182-N186 PolarHBondContact O-N 2.91Å; W182-N186 PolarHBondContact O-ND2 2.91Å; F183-N186 PolarHBondContact O-N 2.87Å; N186-T622 HydrophobicContact CB-CG2 4.12Å; N186-N626 WeakPolarHBondContact CA-ND2 3.25Å; N186-N626 WeakPolarHBondContact CB-ND2 3.26Å; N186-N626 PolarHBondContact O-ND2 2.88Å; N186-N628 PolarHBondContact OD1-ND2 3Å
187	V	48.4	Very low	39.4	Very low	11 Å²	11	82.8 Å²	82.8	7%	0.067	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-20.2	170.6	176.3	0	0	0	0	112	F183 H189 I581 T622	F183-V187 HydrophobicContact CD1-CB 3.91Å; F183-V187 HydrophobicContact CD1-CG1 4.4Å; F183-V187 HydrophobicContact CD1-CG2 3.36Å; F183-V187 HydrophobicContact CE1-CG2 3.8Å; F183-V187 HydrophobicContact CG-CG2 4.3Å; F183-V187 WeakPolarHBondContact O-CA 3.48Å; F183-V187 WeakPolarHBondContact O-CB 3.4Å; F183-V187 PolarHBondContact O-N 2.82Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 3.03Å; V187-I581 HydrophobicContact CG1-CD1 4.33Å; V187-T622 HydrophobicContact CG2-CG2 3.58Å; V187-T622 WeakPolarHBondContact CG2-OG1 3.45Å
188	K	42.6	Very low	38.5	Very low	123 Å²	123	84.5 Å²	84.5	54%	0.535	43%	0.431	S	S	.	.	S	Bend	trans	-66	92.5	156.4	-68.6	-169.4	-176.8	176.5	0	109	E184 P190	E184-K188 WeakPolarHBondContact O-CD 3.5Å; E184-K188 WeakPolarHBondContact O-CG 3.23Å; K188-P190 WeakPolarHBondContact O-CD 3.45Å
189	H	36.6	Very low	37.8	Very low	79 Å²	79	89.2 Å²	89.2	37%	0.366	45%	0.45	S	S	.	.			trans	-51.8	122.5	177.2	-86.3	-78.6	0	0	0	110.5	V187 R191 H573	V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 3.03Å; H189-R191 PolarHBondContact O-N 2.9Å; H189-H573 AromaticContact CD2-CE1 3.92Å
190	P	28.8	Very low	37.2	Very low	57 Å²	57	94.2 Å²	94.2	37%	0.37	48%	0.481	S	S	.	.			trans	-78.1	59.7	176.5	33	-35.6	0	0	0	111.5	K188 R192 S193	K188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-R192 PolarHBondContact O-N 2.8Å; P190-S193 PolarHBondContact O-N 2.92Å
191	R	34.4	Very low	36.5	Very low	142 Å²	142	99.6 Å²	99.6	54%	0.536	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	35.1	164	-68.9	-167.6	178.2	-165.9	0.9	112	H189	H189-R191 PolarHBondContact O-N 2.9Å
192	R	27.2	Very low	35.5	Very low	204 Å²	204	103.4 Å²	103.4	77%	0.77	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	19.9	169.8	-93.5	-167.7	171.4	-152.9	-6.3	112.4	P190 N696	P190-R192 PolarHBondContact O-N 2.8Å; R192-N696 PolarHBondContact NH2-OD1 3.48Å
193	S	27.2	Very low	34.6	Very low	87 Å²	87	107.9 Å²	107.9	61%	0.608	57%	0.572	S	S	*	*			trans	-156.9	104.9	159.6	58.2	0	0	0	0	111	P190 P195	P190-S193 PolarHBondContact O-N 2.92Å; S193-P195 WeakPolarHBondContact O-CD 3.43Å
194	L	25.3	Very low	33.5	Very low	159 Å²	159	115.4 Å²	115.4	83%	0.832	61%	0.61	S	S	*	*			trans	-70.7	121	148.9	-89.2	163.2	0	0	0	106.9	H196	L194-H196 PolarHBondContact O-N 2.84Å
195	P	26.5	Very low	32.3	Very low	107 Å²	107	119.4 Å²	119.4	70%	0.695	64%	0.637	S	S	*	*			trans	-69.4	127.2	165.1	29.6	-31	0	0	0	108.1	S193 S197	S193-P195 WeakPolarHBondContact O-CD 3.43Å; P195-S197 VanDerWaalsContact C-N 3.31Å; P195-S197 PolarHBondContact O-N 2.72Å
196	H	27.7	Very low	31.6	Very low	186 Å²	186	119.3 Å²	119.3	86%	0.861	65%	0.649	S	S	*	*			trans	-69.7	89.1	171.6	-73.3	-74.3	0	0	0	109.8	L194 S198	L194-H196 PolarHBondContact O-N 2.84Å; H196-S198 PolarHBondContact O-N 3.16Å
197	S	29	Very low	30.9	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	69%	0.685	S	S	*	*			trans	-70.1	94.2	166	53.3	0	0	0	0	109.1	P195 L199	P195-S197 VanDerWaalsContact C-N 3.31Å; P195-S197 PolarHBondContact O-N 2.72Å; S197-L199 PolarHBondContact O-N 2.83Å
198	S	28.6	Very low	30.1	Very low	93 Å²	93	132.9 Å²	132.9	65%	0.65	72%	0.724	S	S	*	*			trans	-61.5	128.7	170.7	52.7	0	0	0	0	110.3	H196 T200	H196-S198 PolarHBondContact O-N 3.16Å; S198-T200 PolarHBondContact O-N 2.67Å
199	L	26.7	Very low	29.5	Very low	164 Å²	164	130.7 Å²	130.7	86%	0.859	73%	0.729	S	S	*	*			trans	-56.8	105.7	171.8	-77.2	157.2	0	0	0	110.7	S197	S197-L199 PolarHBondContact O-N 2.83Å
200	T	30.3	Very low	29.3	Very low	119 Å²	119	133.7 Å²	133.7	73%	0.73	75%	0.748	S	S	*	*			trans	-110.9	99.5	166.9	49.5	0	0	0	0	108.4	S198	S198-T200 PolarHBondContact O-N 2.67Å
201	T	30.6	Very low	29.4	Very low	141 Å²	141	142.1 Å²	142.1	87%	0.865	77%	0.772	S	S	*	*			trans	-57.3	134.8	171.6	-49.8	0	0	0	0	110.1
202	E	27.1	Very low	29.3	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	78%	0.781	S	S	*	*			trans	-72.1	139.8	-179.1	-59.2	-176.9	137.4	0	0	112.2
203	C	29.3	Very low	29.4	Very low	127 Å²	127	135.4 Å²	135.4	86%	0.858	78%	0.778	S	S	*	*			trans	-139.2	122.6	154.9	-84.3	0	0	0	0	109
204	I	29.4	Very low	29.7	Very low	158 Å²	158	139.1 Å²	139.1	81%	0.81	79%	0.789	S	S	*	*			trans	-55.1	151.7	168.7	-20.5	-177.5	0	0	0	108.3
205	V	31.6	Very low	30.1	Very low	128 Å²	128	136.5 Å²	136.5	78%	0.776	78%	0.782	S	S	*	*			cis	-152.2	-162.3	41.5	-142.8	0	0	0	0	111.8
206	P	32.3	Very low	30.3	Very low	121 Å²	121	140.2 Å²	140.2	79%	0.786	79%	0.79	S	S	*	*				-120.1	-173.4	-118.5	44.6	-27.2	0	0	0	117.9
207	V	28.8	Very low	30.6	Very low	127 Å²	127	140.9 Å²	140.9	77%	0.77	79%	0.79	S	S	*	*			trans	-58	145.8	-176.1	176.8	0	0	0	0	116.7
208	I	32.4	Very low	30.6	Very low	174 Å²	174	140.6 Å²	140.6	89%	0.892	78%	0.784	S	S	*	*			trans	-149.9	158.3	137.2	-98.4	155.2	0	0	0	107.9
209	A	30.7	Very low	30.7	Very low	76 Å²	76	143.9 Å²	143.9	63%	0.628	79%	0.789	S	S	*	*			trans	-130.6	-170.9	-155.9	0	0	0	0	0	116.4
210	N	32.5	Very low	30.8	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	78%	0.782	S	S	*	*			trans	88.7	122.1	179.7	-61.7	-35.1	0	0	0	115.4
211	R	30	Very low	30.7	Very low	234 Å²	234	144.8 Å²	144.8	88%	0.883	78%	0.78	S	S	*	*				73.5	136.6	69.4	-75	-175.9	176.6	-146	2.7	112
212	S	31.5	Very low	30.4	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	77%	0.769	S	S	*	*			cis	-163.7	145.6	11.5	44.1	0	0	0	0	115.6
213	S	30	Very low	30.4	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	76%	0.764	S	S	*	*			trans	19.3	141.5	145.1	61.9	0	0	0	0	124.6
214	I	33.2	Very low	30.5	Very low	164 Å²	164	141.7 Å²	141.7	84%	0.841	76%	0.756	S	S	*	*				177.8	156.7	116.2	-93	160	0	0	0	112.1
215	P	33.9	Very low	30.5	Very low	104 Å²	104	140.5 Å²	140.5	68%	0.675	75%	0.752	S	S	*	*			trans	-136.4	-178.3	-160.7	44.2	-26.7	0	0	0	119.5
216	E	31.7	Very low	30.5	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	76%	0.759	S	S	*	*			trans	82.4	151.6	147.7	-90.4	-170.7	170	0	0	125.2
217	K	33.3	Very low	30.4	Very low	200 Å²	200	144.2 Å²	144.2	87%	0.87	76%	0.759	S	S	*	*			trans	114.7	149.6	165.3	-70.1	-178	176.7	177.7	0	116.8
218	T	29.4	Very low	30.7	Very low	105 Å²	105	142.4 Å²	142.4	64%	0.644	76%	0.757	S	S	*	*			cis	-160.3	162.9	-46.7	-23	0	0	0	0	109.3
219	Q	30.5	Very low	30.7	Very low	162 Å²	162	141.8 Å²	141.8	76%	0.757	75%	0.751	S	S	*	*			trans	68.6	146.6	159.7	-72.6	152.4	-32.1	0	0	117.9
220	Q	28.9	Very low	30.7	Very low	151 Å²	151	145.3 Å²	145.3	71%	0.706	75%	0.754	S	S	*	*			cis	90.7	125.8	21.4	-169.1	172.6	17.6	0	0	112.5
221	E	27.3	Very low	30.7	Very low	151 Å²	151	143.2 Å²	143.2	71%	0.706	75%	0.747	S	S	*	*			cis	-161.6	-172.6	3.9	-133.7	178.6	-78.7	0	0	108.9
222	C	25.3	Very low	30.7	Very low	94 Å²	94	139 Å²	139	64%	0.635	74%	0.74	S	S	*	*			cis	-164.5	-159.2	-3.2	-162.1	0	0	0	0	110.3
223	L	27.4	Very low	30.9	Very low	142 Å²	142	139.9 Å²	139.9	74%	0.743	74%	0.742	S	S	*	*			trans	81.3	117.7	157	-91.9	88.9	0	0	0	123.8
224	H	31	Very low	31.2	Very low	150 Å²	150	140.1 Å²	140.1	69%	0.694	74%	0.741	S	S	*	*				75.5	111.9	129.9	-81.6	65.1	0	0	0	125.9
225	N	28.1	Very low	31.2	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	75%	0.745	S	S	*	*				43	127.2	126.6	-57.5	-5.2	0	0	0	123.7
226	Q	33.5	Very low	30.9	Very low	196 Å²	196	143.8 Å²	143.8	92%	0.916	74%	0.744	S	S	*	*				-165.2	-177.3	118.3	-107.4	177.1	47.3	0	0	113
227	T	29.6	Very low	31	Very low	131 Å²	131	145.1 Å²	145.1	80%	0.804	75%	0.747	S	S	*	*			trans	-143.1	134.3	-142.1	-47.8	0	0	0	0	116.7
228	A	35	Very low	30.9	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	74%	0.737	S	S	*	*			trans	-159.9	135.1	154.2	0	0	0	0	0	108.3
229	Q	31.8	Very low	30.8	Very low	161 Å²	161	144 Å²	144	75%	0.752	74%	0.742	S	S	*	*				64.8	126.4	56.7	-66.2	-154.6	25.5	0	0	113
230	Q	31.9	Very low	31.1	Very low	151 Å²	151	145.8 Å²	145.8	71%	0.706	75%	0.747	S	S	*	*			cis	-159.8	176.3	2.1	-101.7	-172.7	73.4	0	0	107.2
231	T	30.5	Very low	31	Very low	98 Å²	98	143.8 Å²	143.8	60%	0.601	75%	0.75	S	S	*	*			cis	-164.8	174	2.1	6.9	0	0	0	0	111.3
232	I	31.7	Very low	31.4	Very low	146 Å²	146	148.1 Å²	148.1	75%	0.749	76%	0.76	S	S	*	*			trans	54.8	130.6	140.6	-70	163.9	0	0	0	120.3
233	T	35.7	Very low	31.6	Very low	123 Å²	123	155 Å²	155	76%	0.755	77%	0.772	S	S	*	*			cis	-154.8	164.1	-1.7	15.7	0	0	0	0	112.1
234	P	36.6	Very low	31.7	Very low	106 Å²	106	152.8 Å²	152.8	69%	0.688	77%	0.769	S	S	*	*			trans	-118.9	-176.9	-170.4	43.8	-33.1	0	0	0	115.7
235	Y	32.2	Very low	31.6	Very low	238 Å²	238	153.1 Å²	153.1	93%	0.933	78%	0.775	S	S	*	*			trans	-135.1	124.9	157.8	-118.8	-87.2	0	0	0	110.9
236	V	28.5	Very low	31.7	Very low	107 Å²	107	154.7 Å²	154.7	65%	0.648	78%	0.783	S	S	*	*			trans	-149.2	144.9	-179.6	-171.2	0	0	0	0	109.7	V238	V236-V238 HydrophobicContact CG1-CG2 3.71Å
237	K	34	Very low	31.6	Very low	214 Å²	214	156.5 Å²	156.5	93%	0.93	78%	0.781	S	S	*	*			trans	-128.3	148	154.1	-98.1	-175.9	176	178.4	0	110.1
238	V	31	Very low	31.6	Very low	111 Å²	111	159 Å²	159	67%	0.673	78%	0.784	S	S	*	*			trans	-125.6	136.3	-151.8	172	0	0	0	0	111.9	V236	V236-V238 HydrophobicContact CG1-CG2 3.71Å
239	F	25.8	Very low	31.3	Very low	171 Å²	171	166.7 Å²	166.7	75%	0.75	79%	0.794	S	S	*	*			trans	-70.1	130.9	163.7	-114.6	-87.7	0	0	0	110.3
240	K	36.5	Very low	31.1	Very low	198 Å²	198	164.6 Å²	164.6	86%	0.861	80%	0.795	S	S	*	*			trans	-125.7	137.5	160.6	-86.1	-171.8	174.7	-179.7	0	109.8
241	S	28.4	Very low	31	Very low	109 Å²	109	165.4 Å²	165.4	76%	0.762	80%	0.803	S	S	*	*			trans	-118.7	158.3	170.6	65.5	0	0	0	0	109.7
242	R	35.9	Very low	30.9	Very low	243 Å²	243	165 Å²	165	92%	0.917	81%	0.805	S	S	*	*			trans	-172.1	166.8	136.8	-106.9	168.4	-178.2	-152.1	-1	112.1
243	R	29.2	Very low	30.9	Very low	237 Å²	237	165.3 Å²	165.3	89%	0.894	81%	0.807	S	S	*	*			trans	-58.3	166.7	167.8	-53	166	171.5	165.4	-7	109.5
244	S	29.6	Very low	30.7	Very low	97 Å²	97	167.6 Å²	167.6	68%	0.678	81%	0.809	S	S	*	*			cis	-171.4	161.4	35.3	51.8	0	0	0	0	114.2
245	L	28.2	Very low	30.9	Very low	156 Å²	156	167.8 Å²	167.8	82%	0.817	81%	0.811	S	S	*	*			trans	31.9	116.3	138.1	-61	168.7	0	0	0	120.5
246	L	31.3	Very low	30.9	Very low	168 Å²	168	163.1 Å²	163.1	88%	0.88	80%	0.8	S	S	*	*			trans	-172.2	112.8	137	-96.7	143.4	0	0	0	105.9
247	R	30.7	Very low	31.2	Very low	233 Å²	233	165.2 Å²	165.2	88%	0.879	81%	0.806	S	S	*	*				60	125.3	68.7	-77.5	-163.7	176.6	-160.6	0.4	114.6
248	H	28.6	Very low	31.3	Very low	185 Å²	185	160.9 Å²	160.9	86%	0.856	80%	0.798	S	S	*	*			trans	-54.3	144.1	173.8	-59.4	-111.8	0	0	0	112.9
249	R	29.8	Very low	31.6	Very low	248 Å²	248	160.7 Å²	160.7	94%	0.936	80%	0.802	S	S	*	*				-169.5	158	106.4	-104	174.9	179.4	-178.5	-1	111.7
250	C	26.2	Very low	32	Very low	117 Å²	117	161.3 Å²	161.3	79%	0.791	80%	0.804	S	S	*	*			trans	-73.1	151.4	168.2	-43.7	0	0	0	0	110.2
251	I	31.3	Very low	32	Very low	168 Å²	168	156 Å²	156	86%	0.862	79%	0.791	S	S	*	*			trans	-177	150.9	136.9	-95.3	152.2	0	0	0	107.9
252	S	27.5	Very low	32.3	Very low	91 Å²	91	158.8 Å²	158.8	64%	0.636	79%	0.793	S	S	*	*			trans	-80.5	161.5	-178.3	53.4	0	0	0	0	113.4
253	N	32.5	Very low	32.1	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	78%	0.783	S	S	*	*				169.4	145.4	118.4	-79.5	-9.5	0	0	0	112.1
254	H	32.1	Very low	32.4	Very low	172 Å²	172	148 Å²	148	80%	0.796	77%	0.774	S	S	*	*			trans	-91.1	160.9	173.1	-89.9	-74.4	0	0	0	112
255	P	39	Very low	32.5	Very low	110 Å²	110	150.4 Å²	150.4	71%	0.714	78%	0.779	S	S	*	*				-111	156.3	102.3	-12.7	32	0	0	0	112
256	I	33.5	Very low	32.8	Very low	140 Å²	140	149.1 Å²	149.1	72%	0.718	78%	0.778	S	S	*	*			cis	72.3	118.9	38.7	-51.2	165.5	0	0	0	109.8
257	I	35.1	Very low	33	Very low	151 Å²	151	147.1 Å²	147.1	77%	0.774	78%	0.775	S	S	*	*				-146.2	135.8	73	-76.4	169.1	0	0	0	113.3
258	T	35.2	Very low	33	Very low	123 Å²	123	139.4 Å²	139.4	76%	0.755	77%	0.768	S	S	*	*			trans	6.2	154.6	156.7	75.3	0	0	0	0	121.8
259	S	37	Very low	33.2	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	77%	0.772	S	S	*	*			cis	-158.7	-174.9	26.1	68	0	0	0	0	111.5
260	K	34.8	Very low	33	Very low	183 Å²	183	138.6 Å²	138.6	80%	0.796	77%	0.769	S	S	*	*			cis	-159.5	154.5	4.5	-143.5	-169.7	175.4	-175	0	111.3
261	S	35.6	Very low	33.3	Very low	86 Å²	86	140.9 Å²	140.9	60%	0.601	77%	0.773	S	S	*	*			trans	15.3	141.3	140.4	75.5	0	0	0	0	121.6
262	Q	36	Very low	33	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	76%	0.762	S	S	*	*			cis	-155	175	17.9	-73.4	-166.2	-92.8	0	0	111
263	E	31.3	Very low	33.3	Very low	152 Å²	152	141.2 Å²	141.2	71%	0.71	77%	0.77	S	S	*	*			cis	-179.2	172.9	-33.6	-166.7	151.2	-138.8	0	0	110
264	S	35.4	Very low	33.2	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	77%	0.765	S	S	*	*			trans	73.2	127.8	-175.6	71.5	0	0	0	0	116.4
265	N	32.5	Very low	33.4	Very low	146 Å²	146	138.2 Å²	138.2	78%	0.781	77%	0.765	S	S	*	*			cis	90.3	132.9	36.7	-66.5	-18.2	0	0	0	112.8
266	T	33.8	Very low	33.1	Very low	130 Å²	130	139.1 Å²	139.1	80%	0.798	76%	0.764	S	S	*	*			cis	-155.2	167.1	3.2	4.6	0	0	0	0	110.7
267	P	36	Very low	33.3	Very low	125 Å²	125	141.1 Å²	141.1	81%	0.812	77%	0.77	S	S	*	*			trans	-107.7	168.4	-168.6	40.6	-35.3	0	0	0	116.1
268	G	30.4	Very low	33.1	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	77%	0.766	S	S	*	*			trans	168.5	142.2	156.1	0	0	0	0	0	119.9
269	K	32.6	Very low	33.2	Very low	214 Å²	214	139.6 Å²	139.6	93%	0.93	77%	0.773	S	S	*	*			trans	79.2	130.6	152.7	-65.5	-174.9	176.2	-179.6	0	122.2
270	F	25.3	Very low	32.8	Very low	201 Å²	201	139.1 Å²	139.1	88%	0.882	77%	0.769	S	S	*	*			trans	-58.2	151.2	155.5	-70.9	-120.7	0	0	0	112
271	L	31.4	Very low	32.7	Very low	166 Å²	166	136.8 Å²	136.8	87%	0.869	78%	0.775	S	S	*	*				-168.9	156.5	115.2	-107.8	151.5	0	0	0	111.7
272	S	25.5	Very low	32.4	Very low	91 Å²	91	138.9 Å²	138.9	64%	0.636	78%	0.779	S	S	*	*			trans	-96.2	149.5	175.3	50.4	0	0	0	0	111.3
273	H	35.1	Very low	32.4	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.806	78%	0.781	S	S	*	*			trans	-162.6	166	139.1	-106	-56.4	0	0	0	112.9
274	D	30.5	Very low	32.5	Very low	128 Å²	128	141.9 Å²	141.9	68%	0.684	78%	0.784	S	S	*	*			trans	-72.9	177.9	-171.4	-40.8	-97.7	0	0	0	112.2
275	V	35.8	Very low	32.2	Very low	133 Å²	133	143.6 Å²	143.6	81%	0.806	79%	0.785	S	S	*	*				-163.6	155.8	67	161.5	0	0	0	0	110.9
276	N	31.7	Very low	32.2	Very low	128 Å²	128	142.5 Å²	142.5	68%	0.684	79%	0.789	S	S	*	*			trans	-84.1	156.5	-178.4	-55	-71	0	0	0	114.9	T278	N276-T278 HydrophobicContact CB-CG2 4.34Å
277	H	37.5	Very low	32.1	Very low	183 Å²	183	145.5 Å²	145.5	85%	0.847	79%	0.794	S	S	*	*			trans	-158.5	112.7	137.9	-83.5	-54.2	0	0	0	108.5
278	T	31.7	Very low	31.9	Very low	112 Å²	112	147.3 Å²	147.3	69%	0.687	80%	0.797	S	S	*	*				77.2	96	52	70.1	0	0	0	0	116	N276	N276-T278 HydrophobicContact CB-CG2 4.34Å
279	S	36.5	Very low	31.9	Very low	130 Å²	130	151.6 Å²	151.6	91%	0.909	80%	0.797	S	S	*	*			trans	-161.9	150.6	135.8	51.2	0	0	0	0	109.6
280	S	29.5	Very low	32.1	Very low	96 Å²	96	147.9 Å²	147.9	67%	0.671	79%	0.793	S	S	*	*			trans	-129.8	167.4	-178	65.8	0	0	0	0	111.7
281	C	31.8	Very low	32.3	Very low	134 Å²	134	143.6 Å²	143.6	91%	0.905	78%	0.779	S	S	*	*			trans	-148.5	120.1	157.6	-86.4	0	0	0	0	107.9
282	D	30.7	Very low	32.3	Very low	131 Å²	131	145.2 Å²	145.2	70%	0.701	78%	0.782	S	S	*	*			trans	-104	143.1	-177	-62.7	-78.5	0	0	0	111.7
283	H	36.6	Very low	32.5	Very low	178 Å²	178	148.9 Å²	148.9	82%	0.824	79%	0.787	S	S	*	*			trans	-169.2	102.8	150.2	-93.9	-68	0	0	0	106.8
284	R	33.1	Very low	32.2	Very low	205 Å²	205	147.8 Å²	147.8	77%	0.774	79%	0.792	S	S	*	*				77.4	107	78.8	-77.3	-160.5	-173.1	-170.9	2.6	115.4
285	D	29.3	Very low	32.2	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	79%	0.789	S	S	*	*				63.4	98.2	128	-39.2	-29.1	0	0	0	120.5
286	S	32.1	Very low	31.7	Very low	122 Å²	122	147.2 Å²	147.2	85%	0.853	79%	0.788	S	S	*	*				-161.1	132	129	63.5	0	0	0	0	111.1
287	E	30.2	Very low	31.6	Very low	194 Å²	194	147.7 Å²	147.7	91%	0.907	79%	0.789	S	S	*	*			trans	-81.7	151.1	173.5	-58.2	174.7	133.8	0	0	111.1
288	D	32.8	Very low	31	Very low	162 Å²	162	147.3 Å²	147.3	87%	0.866	79%	0.785	S	S	*	*			trans	-157.3	102.6	158	-128.2	-22.8	0	0	0	110.9
289	E	31.2	Very low	31	Very low	162 Å²	162	148.9 Å²	148.9	76%	0.757	79%	0.79	S	S	*	*			trans	-90.5	105.1	174.6	-81.5	-159.1	136.1	0	0	111.6	N291	E289-N291 VanDerWaalsContact C-N 3.34Å; E289-N291 VanDerWaalsContact CD-ND2 3.26Å; E289-N291 PolarHBondContact O-N 3.01Å; E289-N291 VanDerWaalsContact O-N 3.13Å; E289-N291 PolarHBondContact OE2-ND2 2.71Å
290	T	36.7	Very low	30.6	Very low	137 Å²	137	149.4 Å²	149.4	84%	0.84	78%	0.782	S	S	*	*			trans	-86.6	75.2	165.7	60.5	0	0	0	0	111.5	E292	T290-E292 PolarHBondContact O-N 3.32Å
291	N	28.5	Very low	30.7	Very low	111 Å²	111	151.9 Å²	151.9	59%	0.594	79%	0.788	S	S	*	*			trans	-70.6	103.9	171	-93.7	-69.9	0	0	0	111.5	E289	E289-N291 VanDerWaalsContact C-N 3.34Å; E289-N291 VanDerWaalsContact CD-ND2 3.26Å; E289-N291 PolarHBondContact O-N 3.01Å; E289-N291 VanDerWaalsContact O-N 3.13Å; E289-N291 PolarHBondContact OE2-ND2 2.71Å
292	E	32.2	Very low	30.5	Very low	200 Å²	200	152.7 Å²	152.7	94%	0.935	78%	0.782	S	S	*	*			trans	-97.9	115.4	171.5	-150.4	172.7	-138.7	0	0	112	T290	T290-E292 PolarHBondContact O-N 3.32Å
293	K	29.3	Very low	30.5	Very low	168 Å²	168	154.6 Å²	154.6	73%	0.73	79%	0.786	S	S	*	*			trans	-92	135.5	-173.1	-62.3	165.5	-177.1	165.7	0	110.9	I295	K293-I295 HydrophobicContact CB-CG1 4.38Å
294	V	28.7	Very low	30	Very low	150 Å²	150	153.6 Å²	153.6	91%	0.909	79%	0.787	S	S	*	*			trans	-117.3	125.7	150.9	-178.8	0	0	0	0	108.3
295	I	29.7	Very low	29.8	Very low	120 Å²	120	154 Å²	154	62%	0.615	79%	0.79	S	S	*	*			trans	-94.2	127.6	-158.5	-58.2	171.4	0	0	0	111	K293 L297	K293-I295 HydrophobicContact CB-CG1 4.38Å; I295-L297 HydrophobicContact CG2-CD2 3.78Å; I295-L297 HydrophobicContact CG2-CG 3.92Å; I295-L297 PolarHBondContact O-N 3.31Å
296	V	25.5	Very low	29.6	Very low	130 Å²	130	156.3 Å²	156.3	79%	0.788	79%	0.793	S	S	*	*			trans	-76.9	87.9	166.1	-179.3	0	0	0	0	109	K298	V296-K298 VanDerWaalsContact C-N 3.33Å; V296-K298 HydrophobicContact CG1-CG 4.43Å; V296-K298 PolarHBondContact O-N 2.96Å
297	L	29.3	Very low	29.4	Very low	138 Å²	138	157 Å²	157	72%	0.723	79%	0.786	S	S	*	*			trans	-73.8	85.2	173	-72.6	178.6	0	0	0	111.1	I295 N299	I295-L297 HydrophobicContact CG2-CD2 3.78Å; I295-L297 HydrophobicContact CG2-CG 3.92Å; I295-L297 PolarHBondContact O-N 3.31Å; L297-N299 PolarHBondContact O-N 2.9Å
298	K	26.6	Very low	29.4	Very low	175 Å²	175	154.7 Å²	154.7	76%	0.761	78%	0.78	S	S	*	*			trans	-84.8	86	158.1	-86.9	-170.5	171.2	-174.3	0	109.9	V296 N300	V296-K298 VanDerWaalsContact C-N 3.33Å; V296-K298 HydrophobicContact CG1-CG 4.43Å; V296-K298 PolarHBondContact O-N 2.96Å; K298-N300 PolarHBondContact O-N 3.22Å
299	N	30.7	Very low	29	Very low	145 Å²	145	154.1 Å²	154.1	78%	0.775	77%	0.772	S	S	*	*			trans	-90.4	97.2	163.5	-79.5	16.3	0	0	0	109.4	L297	L297-N299 PolarHBondContact O-N 2.9Å
300	N	28.7	Very low	29	Very low	140 Å²	140	153.6 Å²	153.6	75%	0.749	78%	0.78	S	S	*	*			trans	-84	110.1	159.7	-75.8	1.2	0	0	0	108.2	K298	K298-N300 PolarHBondContact O-N 3.22Å
301	N	31	Very low	28.6	Very low	148 Å²	148	154.7 Å²	154.7	79%	0.791	77%	0.773	S	S	*	*			trans	-154.9	111.1	153.4	-82.8	-25.9	0	0	0	102.8
302	I	27.5	Very low	28.6	Very low	152 Å²	152	153.9 Å²	153.9	78%	0.779	78%	0.782	S	S	*	*				51	93.2	69.5	-51.5	-179.6	0	0	0	110.7
303	E	30.5	Very low	28.5	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.794	78%	0.779	S	S	*	*			trans	-162.6	140.7	130.4	-111	169.8	-144.9	0	0	109.9
304	D	25.9	Very low	28.4	Very low	158 Å²	158	150.3 Å²	150.3	85%	0.845	78%	0.782	S	S	*	*			trans	-85.7	118.8	-178.9	-80.2	-70.1	0	0	0	110.9
305	Y	30.2	Very low	28.6	Very low	213 Å²	213	152.9 Å²	152.9	84%	0.835	78%	0.781	S	S	*	*			trans	-125.7	117.5	160.7	-84	-78.5	0	0	0	113.1
306	K	24.9	Very low	28.4	Very low	187 Å²	187	154.5 Å²	154.5	81%	0.813	79%	0.791	S	S	*	*			trans	-105.9	-172.1	179	-159.5	178.7	-171.1	176	0	107.7
307	I	28.3	Very low	28.9	Very low	137 Å²	137	153.5 Å²	153.5	70%	0.703	79%	0.787	S	S	*	*			trans	85	97.1	156.3	-65.2	166.2	0	0	0	117.2
308	N	28.5	Very low	28.8	Very low	146 Å²	146	156.9 Å²	156.9	78%	0.781	80%	0.796	S	S	*	*				96.6	148	125.4	-67.6	14	0	0	0	124.2
309	E	25.4	Very low	28.8	Very low	149 Å²	149	152.4 Å²	152.4	70%	0.696	80%	0.8	S	S	*	*			trans	-67.7	149.2	171.3	-46	160.7	81.6	0	0	112.9
310	V	32	Very low	28.6	Very low	151 Å²	151	151.2 Å²	151.2	92%	0.915	80%	0.803	S	S	*	*			trans	-135.6	152.4	135.3	-178	0	0	0	0	108.2
311	K	28	Very low	28.7	Very low	161 Å²	161	154.2 Å²	154.2	70%	0.7	81%	0.812	S	S	*	*			trans	-104.2	144.5	-167	-64.2	159.4	-177.3	163.9	0	112.4
312	A	27.3	Very low	28.4	Very low	94 Å²	94	156.4 Å²	156.4	78%	0.777	82%	0.815	S	S	*	*			trans	53.6	142.1	143.6	0	0	0	0	0	121.5
313	V	31.1	Very low	28.3	Very low	144 Å²	144	154.9 Å²	154.9	87%	0.873	82%	0.816	S	S	*	*				-166.1	145.9	106.2	143.1	0	0	0	0	110.1
314	N	26.9	Very low	28.2	Very low	149 Å²	149	152.8 Å²	152.8	80%	0.797	82%	0.815	S	S	*	*			trans	-77.2	151.7	178.9	-76.3	-46.3	0	0	0	113.2
315	K	32	Very low	28.1	Very low	204 Å²	204	150.2 Å²	150.2	89%	0.887	81%	0.809	S	S	*	*				-170.3	123.9	122.9	-101.1	153.5	-173.7	179.3	0	113.9
316	N	27.2	Very low	28.1	Very low	154 Å²	154	149.7 Å²	149.7	82%	0.824	81%	0.814	S	S	*	*			trans	-74.6	173.3	155.4	-89.2	-3.4	0	0	0	109.5
317	P	34.8	Very low	28.2	Very low	109 Å²	109	144.3 Å²	144.3	71%	0.708	81%	0.812	S	S	*	*			cis	-144.1	177	25.4	36.7	-13.6	0	0	0	119
318	F	26.4	Very low	28.2	Very low	209 Å²	209	145.7 Å²	145.7	92%	0.917	82%	0.821	S	S	*	*			trans	21.2	121.1	149.3	-76.9	-96.9	0	0	0	120.5
319	G	28.5	Very low	28.2	Very low	81 Å²	81	146.6 Å²	146.6	84%	0.835	82%	0.82	S	S	*	*			trans	-169.6	137.4	158.3	0	0	0	0	0	110.5
320	S	25.6	Very low	28.4	Very low	120 Å²	120	143.9 Å²	143.9	84%	0.839	82%	0.818	S	S	*	*			trans	-106.9	120.9	-175.8	59.1	0	0	0	0	112.1
321	E	30.9	Very low	28.6	Very low	202 Å²	202	143.3 Å²	143.3	94%	0.944	80%	0.8	S	S	*	*			trans	-150.4	156.7	165.5	-133.1	158.8	-145.4	0	0	112
322	K	24.3	Very low	28.9	Very low	195 Å²	195	142 Å²	142	85%	0.848	79%	0.794	S	S	*	*			trans	-98.1	138.4	176.7	-59.6	171.4	-179.5	174.3	0	108.5
323	C	24.7	Very low	29.2	Very low	120 Å²	120	140 Å²	140	81%	0.811	77%	0.77	S	S	*	*				175.4	156.2	129.2	-103.5	0	0	0	0	114.8
324	V	28.4	Very low	29.1	Very low	126 Å²	126	138.7 Å²	138.7	76%	0.764	76%	0.757	S	S	*	*			trans	64	95.2	145.8	177.3	0	0	0	0	118.6
325	S	25.5	Very low	29.1	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	74%	0.742	S	S	*	*			trans	25.9	128.3	138.2	61.1	0	0	0	0	122.5
326	E	29.2	Very low	29	Very low	201 Å²	201	128.9 Å²	128.9	94%	0.939	72%	0.722	S	S	*	*			trans	-159.7	137.9	139.3	-119.8	168.9	-159.8	0	0	112.2
327	G	27.8	Very low	29.3	Very low	75 Å²	75	127.2 Å²	127.2	77%	0.773	72%	0.717	S	S	*	*			trans	77.5	53.8	148.5	0	0	0	0	0	122.4	E329	G327-E329 PolarHBondContact O-N 3.21Å
328	D	28.5	Very low	29	Very low	166 Å²	166	125.3 Å²	125.3	89%	0.888	72%	0.718	S	S	*	*			trans	-74.1	96	161.3	-96.5	-39	0	0	0	111.1	S330	D328-S330 VanDerWaalsContact C-N 3.34Å; D328-S330 PolarHBondContact O-N 3.46Å
329	E	27.3	Very low	29	Very low	164 Å²	164	123.5 Å²	123.5	77%	0.766	72%	0.716	S	S	*	*			trans	-71.5	84.8	170.7	-82.1	-149	139.5	0	0	111.6	G327 W331	G327-E329 PolarHBondContact O-N 3.21Å; E329-W331 PolarHBondContact O-N 3.43Å
330	S	30.3	Very low	29.1	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	72%	0.717	S	S	*	*			trans	-74.1	94.8	-176.1	66.8	0	0	0	0	113.8	D328	D328-S330 VanDerWaalsContact C-N 3.34Å; D328-S330 PolarHBondContact O-N 3.46Å
331	W	35.5	Very low	29.1	Very low	139 Å²	139	124.9 Å²	124.9	53%	0.527	71%	0.711	S	S	.	*			trans	52.5	107	148	-71.3	53.2	0	0	0	117.8	E329 I333 H522	E329-W331 PolarHBondContact O-N 3.43Å; W331-I333 PolarHBondContact O-N 2.98Å; W331-H522 HydrophobicContact CH2-CB 3.91Å; W331-H522 WeakPolarHBondContact CH2-O 3.33Å; W331-H522 HydrophobicContact CZ2-CB 3.97Å; W331-H522 HydrophobicContact CZ3-CB 4.31Å
332	F	35.7	Very low	29	Very low	132 Å²	132	121.6 Å²	121.6	58%	0.579	71%	0.707	S	S	*	*	S	Bend	trans	-76.2	56.8	173.6	-70.8	-89	0	0	0	114.6	K515	F332-K515 HydrophobicContact CB-CD 4.15Å; F332-K515 VanDerWaalsContact CE2-NZ 3.31Å; F332-K515 HydrophobicContact CG-CD 4.28Å
333	I	33.6	Very low	29	Very low	53 Å²	53	118.1 Å²	118.1	27%	0.272	71%	0.706	S	S	.	*	S	Bend	trans	-107.9	121.1	148.8	-62.1	174.6	0	0	0	104.9	W331 P335 L485	W331-I333 PolarHBondContact O-N 2.98Å; I333-P335 VanDerWaalsContact O-CD 3.27Å; I333-P335 WeakPolarHBondContact O-CD 3.46Å; I333-L485 HydrophobicContact CD1-CD1 4.46Å; I333-L485 HydrophobicContact CD1-CD2 4.01Å
334	I	28.4	Very low	29.3	Very low	117 Å²	117	118.2 Å²	118.2	60%	0.6	71%	0.708	S	S	*	*			trans	-40.6	104.8	-168.5	-58.4	170.5	0	0	0	110.9
335	P	27.3	Very low	29.3	Very low	76 Å²	76	121.1 Å²	121.1	49%	0.494	71%	0.713	S	S	.	*			trans	-70.5	135.5	-172.2	25.7	-33.1	0	0	0	109.1	I333 T337	I333-P335 VanDerWaalsContact O-CD 3.27Å; I333-P335 WeakPolarHBondContact O-CD 3.46Å; P335-T337 VanDerWaalsContact C-N 3.29Å; P335-T337 PolarHBondContact O-N 2.88Å
336	P	29.5	Very low	29.4	Very low	70 Å²	70	123 Å²	123	46%	0.455	72%	0.716	S	S	.	*			trans	-67.4	97.2	158.4	30.5	-31.4	0	0	0	106.9	G338 R478	P336-G338 PolarHBondContact O-N 2.97Å; P336-R478 HydrophobicContact CB-CG 3.88Å; P336-R478 HydrophobicContact CG-CG 3.92Å
337	T	33.6	Very low	29.5	Very low	119 Å²	119	121.2 Å²	121.2	73%	0.73	71%	0.707	S	S	*	*			trans	-47.8	128.2	-172.9	45.9	0	0	0	0	111.7	P335	P335-T337 VanDerWaalsContact C-N 3.29Å; P335-T337 PolarHBondContact O-N 2.88Å
338	G	27.4	Very low	29.6	Very low	69 Å²	69	124 Å²	124	71%	0.711	70%	0.704	S	S	*	*			trans	-79.1	160.2	-164.3	0	0	0	0	0	115	P336	P336-G338 PolarHBondContact O-N 2.97Å
339	I	27.9	Very low	29.6	Very low	171 Å²	171	120.8 Å²	120.8	88%	0.877	70%	0.695	S	S	*	*			trans	-135.5	130.6	151.3	-60.6	-179.7	0	0	0	104.8
340	D	30.6	Very low	29.7	Very low	161 Å²	161	119.2 Å²	119.2	86%	0.861	70%	0.696	S	S	*	*			trans	-75.6	171.4	-175.5	-68.5	-75.1	0	0	0	113.8
341	G	25.6	Very low	29.6	Very low	70 Å²	70	121 Å²	121	72%	0.722	69%	0.69	S	S	*	*			trans	-76.7	-158.2	-170.3	0	0	0	0	0	116
342	P	28.2	Very low	29.3	Very low	133 Å²	133	119.4 Å²	119.4	86%	0.864	70%	0.7	S	S	*	*			cis	-129	-177.9	30.2	41.1	-25.6	0	0	0	115.9
343	C	24.9	Very low	29	Very low	122 Å²	122	118.1 Å²	118.1	82%	0.824	71%	0.707	S	S	*	*			trans	-77.5	154.3	-178.7	-56.7	0	0	0	0	114.6
344	S	30	Very low	28.7	Very low	121 Å²	121	120.4 Å²	120.4	85%	0.846	72%	0.719	S	S	*	*			trans	-133.5	159.5	153.2	71.7	0	0	0	0	110.7
345	Q	27.8	Very low	28.8	Very low	188 Å²	188	119.5 Å²	119.5	88%	0.879	72%	0.723	S	S	*	*			trans	-102.4	130.1	-172.9	-61.1	171.9	-7.7	0	0	111.3
346	N	29.4	Very low	29	Very low	144 Å²	144	119.9 Å²	119.9	77%	0.77	73%	0.727	S	S	*	*			trans	-161.3	143.5	142.9	-128.5	-35.9	0	0	0	113.6
347	Q	30.4	Very low	29.1	Very low	162 Å²	162	122.6 Å²	122.6	76%	0.757	74%	0.737	S	S	*	*			trans	-90.8	146.8	178	-58.7	-176.6	20.7	0	0	110.8
348	N	30.1	Very low	29.2	Very low	133 Å²	133	123.6 Å²	123.6	71%	0.711	74%	0.742	S	S	*	*			trans	158.9	153.8	136.1	-84.1	-23	0	0	0	113.8	R444	N348-R444 PolarHBondContact O-NH2 3.19Å
349	S	29	Very low	29.5	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	74%	0.741	S	S	*	*			trans	61.7	119	158.2	57.7	0	0	0	0	121
350	T	29.1	Very low	29.7	Very low	131 Å²	131	123.1 Å²	123.1	80%	0.804	73%	0.733	S	S	*	*			trans	54.6	117.3	141.4	52.7	0	0	0	0	120.1
351	Y	27.3	Very low	29.6	Very low	132 Å²	132	125.1 Å²	125.1	52%	0.518	73%	0.734	S	S	.	*			trans	-122	115.7	163	-146.3	-93.9	0	0	0	109.8	I354	Y351-I354 HydrophobicContact CE1-CD1 3.62Å; Y351-I354 HydrophobicContact CE1-CG1 3.88Å; Y351-I354 WeakPolarHBondContact OH-CD1 3.5Å
352	S	29.6	Very low	29.9	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	74%	0.741	S	S	*	*			trans	-88.4	152.7	175.9	-69	0	0	0	0	111.4	I354	S352-I354 PolarHBondContact O-N 3.35Å; S352-I354 VanDerWaalsContact O-N 3.16Å
353	S	29	Very low	30.2	Very low	104 Å²	104	127.3 Å²	127.3	73%	0.727	74%	0.736	S	S	*	*			trans	-35.8	105.3	-176.2	-49.5	0	0	0	0	116.7
354	I	27.9	Very low	30.5	Very low	101 Å²	101	129.7 Å²	129.7	52%	0.518	74%	0.737	S	S	.	*			trans	-99.8	74.1	157.1	-53.8	-173.7	0	0	0	107.9	Y351 S352 I357	Y351-I354 HydrophobicContact CE1-CD1 3.62Å; Y351-I354 HydrophobicContact CE1-CG1 3.88Å; Y351-I354 WeakPolarHBondContact OH-CD1 3.5Å; S352-I354 PolarHBondContact O-N 3.35Å; S352-I354 VanDerWaalsContact O-N 3.16Å; I354-I357 HydrophobicContact CG2-CD1 4.37Å
355	S	29.3	Very low	30.5	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	72%	0.724	S	S	*	*			trans	-126.4	21.6	-176.7	65.1	0	0	0	0	113
356	S	32.8	Very low	30.8	Very low	83 Å²	83	126.9 Å²	126.9	58%	0.58	72%	0.719	S	S	*	*	S	Bend	trans	-144.5	7.7	-168.5	52.5	0	0	0	0	114.8
357	I	32	Very low	31	Very low	128 Å²	128	125.8 Å²	125.8	66%	0.656	72%	0.723	S	S	*	*	S	Bend	trans	-111.4	-4.9	-171.9	-61.8	-178.8	0	0	0	112.6	I354	I354-I357 HydrophobicContact CG2-CD1 4.37Å
358	V	34.7	Very low	31.1	Very low	139 Å²	139	124.6 Å²	124.6	84%	0.842	73%	0.726	S	S	*	*	S	Bend	trans	-110.7	20.6	-172	-158.8	0	0	0	0	112.6
359	S	33.3	Very low	31.2	Very low	97 Å²	97	122 Å²	122	68%	0.678	73%	0.732	S	S	*	*	S	Bend	trans	-126.4	-30	-173.5	-59	0	0	0	0	115.5
360	D	31.8	Very low	31.3	Very low	133 Å²	133	127 Å²	127	71%	0.711	74%	0.741	S	S	*	*	S	Bend	trans	-123.9	56.7	-163.8	-59	-56.4	0	0	0	114.1
361	F	29.8	Very low	31.6	Very low	204 Å²	204	126.6 Å²	126.6	90%	0.895	74%	0.743	S	S	*	*			trans	-147.2	62.3	171.3	-96.7	-66.4	0	0	0	114.2
362	T	32	Very low	31.9	Very low	141 Å²	141	127.5 Å²	127.5	87%	0.865	76%	0.763	S	S	*	*			trans	-136.8	44	170.8	61.7	0	0	0	0	114.2
363	S	34.2	Very low	32	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	77%	0.768	S	S	*	*	S	Bend	trans	-157.3	135	162.9	47.7	0	0	0	0	114.5
364	M	31.7	Very low	32.2	Very low	172 Å²	172	126 Å²	126	85%	0.847	77%	0.765	S	S	*	*			trans	47.3	116.4	150	-59.4	-114.1	55.2	0	0	120.5
365	S	28.2	Very low	32.5	Very low	82 Å²	82	128.3 Å²	128.3	57%	0.573	77%	0.774	S	S	*	*			trans	-72.3	148.2	153.5	44.3	0	0	0	0	111.9
366	H	35	Very low	32.5	Very low	167 Å²	167	132.4 Å²	132.4	77%	0.773	78%	0.779	S	S	*	*				159.4	166.1	120.2	-83.1	-65.9	0	0	0	113.3
367	S	34.1	Very low	32.5	Very low	121 Å²	121	133.8 Å²	133.8	85%	0.846	79%	0.788	S	S	*	*			trans	59.9	129.2	172.4	43.9	0	0	0	0	119.9
368	V	32.1	Very low	32.6	Very low	137 Å²	137	135.6 Å²	135.6	83%	0.83	80%	0.798	S	S	*	*			trans	-92.4	141.5	177.8	171.4	0	0	0	0	110.4
369	G	32.2	Very low	32.3	Very low	80 Å²	80	136.9 Å²	136.9	83%	0.825	80%	0.798	S	S	*	*			trans	-148.4	106.4	164.5	0	0	0	0	0	111
370	K	31.9	Very low	32.3	Very low	203 Å²	203	139.4 Å²	139.4	88%	0.883	80%	0.803	S	S	*	*			trans	-97.9	124.8	174.4	-70.9	-179.7	179.6	175.9	0	110
371	S	34.9	Very low	32.4	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	80%	0.796	S	S	*	*			trans	-146.4	144.4	154.6	61.3	0	0	0	0	110.3
372	T	32.7	Very low	32.5	Very low	151 Å²	151	135.9 Å²	135.9	93%	0.926	79%	0.789	S	S	*	*			trans	-103.4	122.8	-178.4	47.9	0	0	0	0	110
373	G	32.9	Very low	32.4	Very low	83 Å²	83	138.7 Å²	138.7	86%	0.856	79%	0.786	S	S	*	*			trans	-140.1	137.6	174.9	0	0	0	0	0	110.5
374	S	32.3	Very low	32.3	Very low	95 Å²	95	139.6 Å²	139.6	66%	0.664	79%	0.787	S	S	*	*			trans	-111.6	161	-171.1	-168.4	0	0	0	0	113.1
375	H	33.7	Very low	32.4	Very low	150 Å²	150	137 Å²	137	69%	0.694	78%	0.783	S	S	*	*			trans	80	110.4	158.1	-65.3	-46	0	0	0	121.9
376	K	31.2	Very low	32.5	Very low	185 Å²	185	139.5 Å²	139.5	80%	0.804	80%	0.795	S	S	*	*				84	143.5	125.2	-66.3	171.7	-176.6	175.1	0	119.9
377	S	31.6	Very low	32.4	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	80%	0.801	S	S	*	*			trans	72.5	138.3	167.5	-117.1	0	0	0	0	115.3
378	L	34.3	Very low	32.5	Very low	166 Å²	166	144.2 Å²	144.2	87%	0.869	80%	0.803	S	S	*	*			cis	-134.1	174.8	22.2	-86.1	163.1	0	0	0	114.2
379	M	28.6	Very low	32.4	Very low	167 Å²	167	148.8 Å²	148.8	82%	0.823	81%	0.805	S	S	*	*			trans	-81.7	152	177.3	-78.2	-78.9	-175.4	0	0	113.9
380	N	33.4	Very low	32.5	Very low	149 Å²	149	156.7 Å²	156.7	80%	0.797	81%	0.81	S	S	*	*			trans	164.2	141.9	136.6	-83.2	-8.7	0	0	0	110.1
381	T	33.5	Very low	32.5	Very low	91 Å²	91	154.5 Å²	154.5	56%	0.558	81%	0.808	S	S	*	*			cis	-164.2	122.1	-14	18.5	0	0	0	0	110.4
382	F	31.5	Very low	32.4	Very low	173 Å²	173	160.4 Å²	160.4	76%	0.759	81%	0.812	S	S	*	*			trans	55.6	164.3	155.1	-45	-61	0	0	0	119.2
383	Y	30.2	Very low	32.4	Very low	200 Å²	200	160.6 Å²	160.6	78%	0.784	81%	0.806	S	S	*	*			cis	-140.1	131.3	5.5	-115.1	-69.4	0	0	0	110.5
384	T	31.9	Very low	32.5	Very low	127 Å²	127	162.5 Å²	162.5	78%	0.779	80%	0.803	S	S	*	*			trans	-137.8	119.8	157.8	48.9	0	0	0	0	109.9	T386	T384-T386 PolarHBondContact O-N 3.31Å
385	P	35.1	Very low	32.6	Very low	118 Å²	118	165.5 Å²	165.5	77%	0.766	81%	0.81	S	S	*	*			trans	-90.8	89.2	-178	33.6	-32.9	0	0	0	111.9	M387	P385-M387 PolarHBondContact O-N 2.63Å
386	T	29.7	Very low	32.6	Very low	134 Å²	134	163.9 Å²	163.9	82%	0.822	81%	0.813	S	S	*	*			trans	-70.9	111.7	159.4	51.2	0	0	0	0	109.3	T384	T384-T386 PolarHBondContact O-N 3.31Å
387	M	33.5	Very low	32.5	Very low	183 Å²	183	160.7 Å²	160.7	90%	0.901	81%	0.814	S	S	*	*			trans	-99.4	146.1	170.1	-77.1	-153.1	74.3	0	0	112.4	P385	P385-M387 PolarHBondContact O-N 2.63Å
388	K	36	Very low	32.6	Very low	203 Å²	203	163.5 Å²	163.5	88%	0.883	82%	0.815	S	S	*	*			trans	-78	156.3	-161.9	-65.5	174.5	178.3	176.6	0	113.5
389	R	30.3	Very low	32.6	Very low	234 Å²	234	165.5 Å²	165.5	88%	0.883	82%	0.817	S	S	*	*			trans	-37.9	133.4	165.8	-63.3	173.1	174.5	171.8	-4	112.7
390	R	33.9	Very low	32.8	Very low	245 Å²	245	164.5 Å²	164.5	93%	0.925	81%	0.814	S	S	*	*			trans	-140.2	133.1	143.2	-98.4	-175.8	171.8	155.7	-1.5	108.4
391	N	32.1	Very low	32.8	Very low	157 Å²	157	163.8 Å²	163.8	84%	0.84	81%	0.81	S	S	*	*			trans	-69.6	137.5	-174.6	-60	-4.3	0	0	0	110.9
392	R	31.9	Very low	32.7	Very low	247 Å²	247	164.1 Å²	164.1	93%	0.932	82%	0.817	S	S	*	*			trans	-146.5	154.6	146.1	-110.7	-179.3	-175.4	-144.9	-2.5	109.8
393	L	33.7	Very low	32.7	Very low	155 Å²	155	162.2 Å²	162.2	81%	0.812	82%	0.819	S	S	*	*			trans	-76.7	155.2	-160.9	-67	147.6	0	0	0	112.7
394	P	33.8	Very low	33	Very low	122 Å²	122	157.8 Å²	157.8	79%	0.792	82%	0.817	S	S	*	*			trans	-65.4	149.8	164.9	30.9	-34.8	0	0	0	110.3
395	I	35	Very low	33.2	Very low	158 Å²	158	157.3 Å²	157.3	81%	0.81	82%	0.819	S	S	*	*			trans	-110.6	139.2	172.9	-65.3	178	0	0	0	107.6
396	P	32.6	Very low	33	Very low	117 Å²	117	155.2 Å²	155.2	76%	0.76	82%	0.819	S	S	*	*			trans	-79.8	164.4	-155.8	-16.2	33	0	0	0	115.4
397	S	28.9	Very low	33.3	Very low	118 Å²	118	154.9 Å²	154.9	83%	0.825	82%	0.819	S	S	*	*			trans	-105.9	102.2	172.4	54.9	0	0	0	0	110.9
398	E	33.9	Very low	33.3	Very low	170 Å²	170	152.7 Å²	152.7	79%	0.794	82%	0.816	S	S	*	*			trans	-137.1	120.5	169.8	-71.6	-171.2	178.8	0	0	111.1
399	F	35	Very low	33	Very low	207 Å²	207	149.8 Å²	149.8	91%	0.908	81%	0.809	S	S	*	*			trans	-164.7	85.6	147	-98.7	-65.4	0	0	0	108.4
400	L	33.4	Very low	33.1	Very low	147 Å²	147	148.9 Å²	148.9	77%	0.77	81%	0.807	S	S	*	*			trans	19.5	127.4	139.2	-56.7	173.4	0	0	0	116.8
401	N	32	Very low	33.1	Very low	133 Å²	133	146.2 Å²	146.2	71%	0.711	80%	0.802	S	S	*	*			cis	-148.8	146.2	31	-79.9	-49.9	0	0	0	109.8
402	S	31.9	Very low	33.3	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	80%	0.799	S	S	*	*				51.1	134.5	81	96.7	0	0	0	0	114.3
403	T	32.8	Very low	33.3	Very low	132 Å²	132	139.4 Å²	139.4	81%	0.81	80%	0.796	S	S	*	*			cis	-155.5	168	12.3	-43.1	0	0	0	0	112
404	S	35.2	Very low	33.2	Very low	107 Å²	107	138 Å²	138	75%	0.748	79%	0.794	S	S	*	*			trans	80.7	111.4	153.4	-158.2	0	0	0	0	121.3
405	S	36	Very low	33.1	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	80%	0.796	S	S	*	*			trans	-51.8	158.1	160	48.1	0	0	0	0	117.8
406	G	32.3	Very low	33	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	79%	0.787	S	S	*	*			trans	161	102.7	156.3	0	0	0	0	0	115.7
407	P	34.1	Very low	32.8	Very low	127 Å²	127	139.2 Å²	139.2	83%	0.825	79%	0.788	S	S	*	*			trans	-104.8	133.3	179.2	35.9	-28.8	0	0	0	113.9
408	V	33.5	Very low	33	Very low	138 Å²	138	141.5 Å²	141.5	84%	0.836	79%	0.787	S	S	*	*			trans	-139.8	143.4	169	-178.7	0	0	0	0	110.8
409	I	30	Very low	32.9	Very low	142 Å²	142	138.5 Å²	138.5	73%	0.728	78%	0.781	S	S	*	*			trans	-111.9	128.8	-178.6	-62.3	159.1	0	0	0	109.5
410	Y	33.2	Very low	32.6	Very low	215 Å²	215	134.8 Å²	134.8	84%	0.843	77%	0.77	S	S	*	*			trans	-164.5	108.8	146.5	-81.1	-62.3	0	0	0	107.3
411	K	33.3	Very low	32.4	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	77%	0.773	S	S	*	*				71.3	142.3	82.4	-86.1	-165.9	173.4	-177.3	0	115.5
412	P	35.8	Very low	32.2	Very low	120 Å²	120	140.2 Å²	140.2	78%	0.779	78%	0.781	S	S	*	*			trans	-114.8	167.9	-158.7	42.2	-32.2	0	0	0	115.1
413	T	33.1	Very low	32.2	Very low	140 Å²	140	139.7 Å²	139.7	86%	0.859	78%	0.778	S	S	*	*			trans	-141.1	150	165.3	-55.6	0	0	0	0	111.6
414	T	31	Very low	31.9	Very low	127 Å²	127	142.7 Å²	142.7	78%	0.779	78%	0.782	S	S	*	*			trans	-71.5	170.8	177.7	50.7	0	0	0	0	112.1
415	R	32	Very low	31.6	Very low	224 Å²	224	143.3 Å²	143.3	85%	0.845	78%	0.777	S	S	*	*				179.1	154.1	69.7	-152.5	-170.2	174.6	174.5	-3.8	111.5
416	S	32.4	Very low	31.2	Very low	88 Å²	88	144.9 Å²	144.9	62%	0.615	78%	0.776	S	S	*	*			trans	34.2	143.4	144.7	59	0	0	0	0	122.3
417	S	30	Very low	30.9	Very low	110 Å²	110	151.4 Å²	151.4	77%	0.769	78%	0.784	S	S	*	*			cis	-175.5	-178.7	-0.4	-97.3	0	0	0	0	110.5
418	M	31.7	Very low	30.7	Very low	166 Å²	166	151 Å²	151	82%	0.818	78%	0.783	S	S	*	*			trans	88.5	99.6	158.3	-53.6	-156.3	73.5	0	0	119.1
419	T	31.4	Very low	30.4	Very low	107 Å²	107	149.3 Å²	149.3	66%	0.656	78%	0.778	S	S	*	*				30.2	132.1	122.9	56	0	0	0	0	118.5
420	N	30.4	Very low	30.5	Very low	129 Å²	129	150.2 Å²	150.2	69%	0.69	78%	0.784	S	S	*	*				-166.2	161.7	54.4	-128.4	-12.8	0	0	0	114.9
421	M	27.7	Very low	30.4	Very low	167 Å²	167	148 Å²	148	82%	0.823	78%	0.781	S	S	*	*			trans	48.4	102.5	153.1	-56.3	-65.7	-85.9	0	0	119.5
422	Y	29.2	Very low	30.4	Very low	226 Å²	226	145 Å²	145	89%	0.886	77%	0.774	S	S	*	*			trans	-124.9	125.5	159.5	-95.9	-81.5	0	0	0	112.5
423	S	32	Very low	30.3	Very low	88 Å²	88	143.1 Å²	143.1	62%	0.615	76%	0.764	S	S	*	*			trans	-1.9	128	159.5	55.3	0	0	0	0	119.4	L425	S423-L425 PolarHBondContact O-N 3.02Å
424	E	26	Very low	30.3	Very low	195 Å²	195	138.8 Å²	138.8	91%	0.911	75%	0.748	S	S	*	*			trans	-70.8	118	164.2	-59.2	177.9	120.5	0	0	110.9
425	L	28.8	Very low	30.6	Very low	120 Å²	120	138.7 Å²	138.7	63%	0.628	74%	0.742	S	S	*	*			trans	-153.2	131.8	167.9	-107.6	166.9	0	0	0	111	S423	S423-L425 PolarHBondContact O-N 3.02Å
426	N	26.7	Very low	30.8	Very low	151 Å²	151	130.7 Å²	130.7	81%	0.807	72%	0.72	S	S	*	*			trans	55.4	83.4	167.4	-61.5	-30.2	0	0	0	118.1
427	K	27	Very low	31.2	Very low	211 Å²	211	129.3 Å²	129.3	92%	0.917	71%	0.71	S	S	*	*			trans	-119.5	107.1	152.2	-78.9	-171.7	179.4	178.5	0	111.2
428	S	28.6	Very low	31.6	Very low	117 Å²	117	129.3 Å²	129.3	82%	0.818	70%	0.698	S	S	*	*			trans	-140.1	93.9	157.3	59.3	0	0	0	0	107.2
429	S	27.8	Very low	31.7	Very low	103 Å²	103	123.8 Å²	123.8	72%	0.72	67%	0.672	S	S	*	*			trans	-102.6	83.4	-161.9	52.9	0	0	0	0	113.2	Q431	S429-Q431 PolarHBondContact O-N 3.49Å
430	D	32	Very low	32	Very low	162 Å²	162	121.3 Å²	121.3	87%	0.866	66%	0.659	S	S	*	*			trans	-87.5	78.1	165.9	-72.4	-41.4	0	0	0	110.5	D432	D430-D432 PolarHBondContact O-N 3.03Å
431	Q	30.9	Very low	32.4	Very low	168 Å²	168	118.5 Å²	118.5	79%	0.785	65%	0.649	S	S	*	*			trans	-78.3	70.1	165.6	-72.7	-156.7	26.1	0	0	110.7	S429 S433	S429-Q431 PolarHBondContact O-N 3.49Å; Q431-S433 PolarHBondContact O-N 3.34Å
432	D	32.9	Very low	33.1	Very low	125 Å²	125	114 Å²	114	67%	0.668	63%	0.631	S	S	*	*			trans	-72.2	64.6	168.2	-138.5	0.4	0	0	0	108.5	D430 G434 K482	D430-D432 PolarHBondContact O-N 3.03Å; D432-G434 PolarHBondContact O-N 3.34Å; D432-G434 VanDerWaalsContact O-N 3.12Å; D432-K482 IonicContact OD1-NZ 3.19Å; D432-K482 PolarHBondContact OD1-NZ 3.12Å; D432-K482 IonicContact OD2-NZ 2.68Å; D432-K482 PolarHBondContact OD2-NZ 2.95Å
433	S	34.3	Very low	33.5	Very low	81 Å²	81	111.1 Å²	111.1	57%	0.566	62%	0.623	S	S	*	*			trans	-66.4	111.3	-171.1	68.4	0	0	0	0	110.6	Q431	Q431-S433 PolarHBondContact O-N 3.34Å
434	G	33.7	Very low	33.8	Very low	50 Å²	50	113.5 Å²	113.5	52%	0.515	62%	0.619	S	S	.	*			trans	-58.7	153.7	-162	0	0	0	0	0	115.8	D432 S436 S437	D432-G434 PolarHBondContact O-N 3.34Å; D432-G434 VanDerWaalsContact O-N 3.12Å; G434-S436 PolarHBondContact O-N 2.84Å; G434-S437 PolarHBondContact O-N 2.8Å; G434-S437 PolarHBondContact O-OG 2.94Å; G434-S437 VanDerWaalsContact O-OG 3.09Å
435	L	38	Very low	34.2	Very low	124 Å²	124	109 Å²	109	65%	0.649	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.1	-21.6	-174	-66	163.9	0	0	0	115.9	S475	L435-S475 WeakPolarHBondContact CD2-OG 3.28Å
436	S	35.6	Very low	34.5	Very low	56 Å²	56	109 Å²	109	39%	0.392	61%	0.614	S	S	.	*	H	α-helix	trans	-67.9	-30.6	176.1	-52	0	0	0	0	113.7	G434 L439 S440	G434-S436 PolarHBondContact O-N 2.84Å; S436-L439 PolarHBondContact O-N 3.22Å; S436-S440 WeakPolarHBondContact O-CB 3.44Å; S436-S440 PolarHBondContact O-N 3.29Å; S436-S440 PolarHBondContact O-OG 3.37Å; S436-S440 VanDerWaalsContact O-OG 3.09Å
437	S	40.2	Very low	34.9	Very low	59 Å²	59	109.9 Å²	109.9	41%	0.413	62%	0.619	S	S	.	*	H	α-helix	trans	-60.9	-54.4	-168.2	59.8	0	0	0	0	113.3	G434 L439 S440 S441	G434-S437 PolarHBondContact O-N 2.8Å; G434-S437 PolarHBondContact O-OG 2.94Å; G434-S437 VanDerWaalsContact O-OG 3.09Å; S437-L439 VanDerWaalsContact C-N 3.34Å; S437-L439 PolarHBondContact O-N 3.46Å; S437-S440 PolarHBondContact O-N 3.12Å; S437-S441 PolarHBondContact O-N 3.34Å
438	Q	37.8	Very low	35.7	Very low	111 Å²	111	105.9 Å²	105.9	52%	0.519	61%	0.612	S	S	.	*	H	α-helix	trans	-72.8	-24	-178.5	-64.2	-176.1	-15.5	0	0	113.2	S441 T442	Q438-S441 PolarHBondContact O-OG 2.64Å; Q438-S441 VanDerWaalsContact O-OG 3.07Å; Q438-T442 PolarHBondContact O-OG1 2.86Å; Q438-T442 VanDerWaalsContact O-OG1 3.06Å
439	L	35.2	Very low	36	Very low	50 Å²	50	109.8 Å²	109.8	26%	0.262	62%	0.617	S	S	.	*	H	α-helix	trans	-75	-42	171.3	-68.6	174.1	0	0	0	110.9	S436 S437 S441 T442 F443	S436-L439 PolarHBondContact O-N 3.22Å; S437-L439 VanDerWaalsContact C-N 3.34Å; S437-L439 PolarHBondContact O-N 3.46Å; L439-S441 PolarHBondContact O-N 2.79Å; L439-T442 PolarHBondContact O-N 2.74Å; L439-F443 PolarHBondContact O-N 2.83Å
440	S	37.4	Very low	36.5	Very low	54 Å²	54	110.7 Å²	110.7	38%	0.378	62%	0.619	S	S	.	*	H	α-helix	trans	-67.9	-29.7	179.6	-69.1	0	0	0	0	114.3	S436 S437 R444	S436-S440 WeakPolarHBondContact O-CB 3.44Å; S436-S440 PolarHBondContact O-N 3.29Å; S436-S440 PolarHBondContact O-OG 3.37Å; S436-S440 VanDerWaalsContact O-OG 3.09Å; S437-S440 PolarHBondContact O-N 3.12Å; S440-R444 WeakPolarHBondContact O-CG 3.45Å
441	S	38.7	Very low	37	Very low	70 Å²	70	111.9 Å²	111.9	49%	0.49	62%	0.619	S	S	.	*	H	α-helix	trans	-67.6	-43.2	173.4	49.8	0	0	0	0	112.1	S437 Q438 L439 F443 R444	S437-S441 PolarHBondContact O-N 3.34Å; Q438-S441 PolarHBondContact O-OG 2.64Å; Q438-S441 VanDerWaalsContact O-OG 3.07Å; L439-S441 PolarHBondContact O-N 2.79Å; S441-F443 VanDerWaalsContact C-N 3.27Å; S441-F443 PolarHBondContact O-N 2.99Å; S441-R444 PolarHBondContact O-N 2.91Å
442	T	41.9	Very low	37.5	Very low	72 Å²	72	108.2 Å²	108.2	44%	0.442	61%	0.612	S	S	.	*	H	α-helix	trans	-65.1	-31	-178.6	-52.6	0	0	0	0	112.4	Q438 L439 R444	Q438-T442 PolarHBondContact O-OG1 2.86Å; Q438-T442 VanDerWaalsContact O-OG1 3.06Å; L439-T442 PolarHBondContact O-N 2.74Å; T442-R444 VanDerWaalsContact C-N 3.35Å; T442-R444 PolarHBondContact O-N 2.78Å
443	F	38.5	Very low	37.8	Very low	166 Å²	166	112.8 Å²	112.8	73%	0.728	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-0.5	177.9	-91	-79	0	0	0	115.3	L439 S441	L439-F443 PolarHBondContact O-N 2.83Å; S441-F443 VanDerWaalsContact C-N 3.27Å; S441-F443 PolarHBondContact O-N 2.99Å
444	R	37.1	Very low	38.2	Very low	139 Å²	139	116.2 Å²	116.2	53%	0.525	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.6	19	-178.8	-77.1	-174.7	172.3	-150.2	-2.4	114.5	N348 S440 S441 T442	N348-R444 PolarHBondContact O-NH2 3.19Å; S440-R444 WeakPolarHBondContact O-CG 3.45Å; S441-R444 PolarHBondContact O-N 2.91Å; T442-R444 VanDerWaalsContact C-N 3.35Å; T442-R444 PolarHBondContact O-N 2.78Å
445	S	34.8	Very low	38.5	Very low	99 Å²	99	122 Å²	122	69%	0.692	65%	0.647	S	S	*	*	S	Bend	trans	-115.4	33	-172.5	-59.8	0	0	0	0	115.3
446	T	35	Very low	38.9	Very low	122 Å²	122	127.7 Å²	127.7	75%	0.748	66%	0.66	S	S	*	*			trans	-158.4	109.9	159.3	41.5	0	0	0	0	108.5
447	D	36.1	Very low	39.2	Very low	168 Å²	168	132.7 Å²	132.7	90%	0.898	68%	0.677	S	S	*	*			trans	176.3	71.5	156.6	-92.9	-17.5	0	0	0	108.6
448	V	43.4	Very low	39.4	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	69%	0.694	S	S	*	*			trans	-132.3	100.5	168.8	178.5	0	0	0	0	107.5	T450	V448-T450 PolarHBondContact O-N 2.85Å
449	E	35.2	Very low	39.8	Very low	200 Å²	200	143.4 Å²	143.4	94%	0.935	71%	0.71	S	S	*	*			trans	-68.5	112.7	168.5	-66.9	-172.5	133.2	0	0	108.8
450	T	38.4	Very low	40.2	Very low	122 Å²	122	147.1 Å²	147.1	75%	0.748	73%	0.731	S	S	*	*			trans	-141.9	132.9	164.6	-61.1	0	0	0	0	108	V448	V448-T450 PolarHBondContact O-N 2.85Å
451	Q	42.3	Very low	40.5	Very low	187 Å²	187	151 Å²	151	87%	0.874	75%	0.746	S	S	*	*			trans	-82.2	165.1	-167.9	-61.7	174.4	-2.4	0	0	112.2
452	S	41	Very low	41	Very low	91 Å²	91	153.1 Å²	153.1	64%	0.636	76%	0.756	S	S	*	*			trans	75.3	111.9	166.6	173	0	0	0	0	118.6
453	R	39.2	Very low	41.5	Very low	221 Å²	221	152.1 Å²	152.1	83%	0.834	76%	0.76	S	S	*	*			trans	62	124.6	146.7	-62.5	171	177	147.2	-5.7	116.1
454	D	42.3	Very low	42.4	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	75%	0.751	S	S	*	*			cis	-156.9	161.3	32.7	-94	-36.5	0	0	0	113.3	R456	D454-R456 PolarHBondContact O-N 3.34Å
455	M	40.2	Very low	43.5	Very low	171 Å²	171	145 Å²	145	84%	0.842	75%	0.753	S	S	*	*			trans	-86.2	92.7	179.7	-82.1	-78.1	-72.5	0	0	112.8
456	R	46.5	Very low	45.3	Very low	243 Å²	243	143.2 Å²	143.2	92%	0.917	74%	0.743	S	S	*	*			trans	-152	-18.3	166	-112.9	161.1	-152	-155	3.5	118.3	D454 H458	D454-R456 PolarHBondContact O-N 3.34Å; R456-H458 PolarHBondContact O-N 2.81Å
457	E	42.4	Very low	47.3	Very low	162 Å²	162	140.9 Å²	140.9	76%	0.757	73%	0.732	S	S	*	*			trans	-96.4	86.7	-175.6	-62.6	-158.8	159.4	0	0	113.9
458	H	44.1	Very low	49.1	Very low	163 Å²	163	138 Å²	138	76%	0.755	71%	0.709	S	S	*	*			trans	-131	16	177.9	-99.6	32.1	0	0	0	115.4	R456	R456-H458 PolarHBondContact O-N 2.81Å
459	R	46	Very low	50.9	Low	231 Å²	231	133.3 Å²	133.3	87%	0.872	68%	0.684	S	S	*	*	S	Bend	trans	-98.7	-18.5	174.7	-75	-174.6	171.1	-180	-3.1	115.1
460	N	44.5	Very low	53.2	Low	129 Å²	129	127.1 Å²	127.1	69%	0.69	66%	0.659	S	S	*	*	S	Bend	trans	-85.7	-19.7	-170.1	-67	-9.4	0	0	0	115.1	V462 G463	N460-V462 VanDerWaalsContact C-N 3.29Å; N460-V462 PolarHBondContact O-N 3.06Å; N460-G463 PolarHBondContact O-N 2.86Å
461	L	43.6	Very low	55.4	Low	134 Å²	134	124.5 Å²	124.5	70%	0.702	64%	0.643	S	S	*	*	H	α-helix	trans	-63.1	-30.2	-176.7	-94.6	71.2	0	0	0	113.9	G463 S464	L461-G463 VanDerWaalsContact C-N 3.32Å; L461-G463 PolarHBondContact O-N 3.4Å; L461-S464 PolarHBondContact O-N 3.37Å
462	V	48.7	Very low	57.2	Low	116 Å²	116	118.1 Å²	118.1	70%	0.703	62%	0.615	S	S	*	*	H	α-helix	trans	-64.3	-35.5	-174.4	-176.9	0	0	0	0	112	N460 S464 S465	N460-V462 VanDerWaalsContact C-N 3.29Å; N460-V462 PolarHBondContact O-N 3.06Å; V462-S464 VanDerWaalsContact C-N 3.31Å; V462-S464 PolarHBondContact O-N 2.96Å; V462-S465 PolarHBondContact O-N 3.48Å
463	G	52.7	Low	59.3	Low	50 Å²	50	122.5 Å²	122.5	52%	0.515	62%	0.617	S	S	.	*	H	α-helix	trans	-64.5	-32.3	179.6	0	0	0	0	0	113.9	N460 L461 S465 A466 S467	N460-G463 PolarHBondContact O-N 2.86Å; L461-G463 VanDerWaalsContact C-N 3.32Å; L461-G463 PolarHBondContact O-N 3.4Å; G463-S465 PolarHBondContact O-N 2.86Å; G463-A466 PolarHBondContact O-N 2.9Å; G463-S467 PolarHBondContact O-N 2.87Å; G463-S467 VanDerWaalsContact O-N 3.1Å
464	S	57.4	Low	61.4	Low	77 Å²	77	115.9 Å²	115.9	54%	0.538	60%	0.596	S	S	.	*	H	α-helix	trans	-63.6	-40.8	179.6	-170.9	0	0	0	0	112.1	L461 V462 A466 S467 W468	L461-S464 PolarHBondContact O-N 3.37Å; V462-S464 VanDerWaalsContact C-N 3.31Å; V462-S464 PolarHBondContact O-N 2.96Å; S464-A466 PolarHBondContact O-N 3.45Å; S464-S467 PolarHBondContact O-N 3.19Å; S464-W468 PolarHBondContact O-N 2.87Å
465	S	60.9	Low	63.2	Low	80 Å²	80	110 Å²	110	56%	0.559	57%	0.567	S	S	*	*	H	α-helix	trans	-64.6	-41.7	178.6	-172.2	0	0	0	0	112.5	V462 G463 W468 A469	V462-S465 PolarHBondContact O-N 3.48Å; G463-S465 PolarHBondContact O-N 2.86Å; S465-W468 PolarHBondContact O-N 2.99Å; S465-A469 WeakPolarHBondContact O-CB 3.3Å; S465-A469 PolarHBondContact O-N 2.93Å
466	A	71.7	Confident	65.3	Low	60 Å²	60	106.9 Å²	106.9	50%	0.496	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-39.4	176.6	0	0	0	0	0	112.5	G463 S464 T470	G463-A466 PolarHBondContact O-N 2.9Å; S464-A466 PolarHBondContact O-N 3.45Å; A466-T470 WeakPolarHBondContact O-CB 3.42Å; A466-T470 PolarHBondContact O-N 3.38Å; A466-T470 PolarHBondContact O-OG1 3.44Å
467	S	77.6	Confident	67.2	Low	74 Å²	74	101.7 Å²	101.7	52%	0.517	54%	0.535	S	S	.	.	H	α-helix	trans	-63.8	-47.8	174.4	-178.5	0	0	0	0	111.9	G463 S464 T470 T471	G463-S467 PolarHBondContact O-N 2.87Å; G463-S467 VanDerWaalsContact O-N 3.1Å; S464-S467 PolarHBondContact O-N 3.19Å; S467-T470 PolarHBondContact O-N 2.95Å; S467-T471 WeakPolarHBondContact O-CB 3.32Å; S467-T471 PolarHBondContact O-N 3.39Å; S467-T471 PolarHBondContact O-OG1 3.44Å; S467-T471 VanDerWaalsContact O-OG1 3.06Å
468	W	74.2	Confident	69.2	Low	107 Å²	107	98.7 Å²	98.7	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-47.5	176.7	176	83.6	0	0	0	112.2	S464 S465 T470 T471 L472	S464-W468 PolarHBondContact O-N 2.87Å; S465-W468 PolarHBondContact O-N 2.99Å; W468-T470 VanDerWaalsContact C-N 3.29Å; W468-T470 PolarHBondContact O-N 3.09Å; W468-T471 PolarHBondContact O-N 2.89Å; W468-L472 HydrophobicContact CH2-CD2 3.62Å; W468-L472 HydrophobicContact CZ2-CD2 3.78Å; W468-L472 HydrophobicContact CZ3-CD2 4.17Å; W468-L472 WeakPolarHBondContact O-CB 3.39Å; W468-L472 PolarHBondContact O-N 3.38Å
469	A	80.6	Confident	71.1	Confident	29 Å²	29	93.3 Å²	93.3	24%	0.24	50%	0.501	C	S	.	.	H	α-helix	trans	-62	-36.7	178.7	0	0	0	0	0	112.3	S465 R473	S465-A469 WeakPolarHBondContact O-CB 3.3Å; S465-A469 PolarHBondContact O-N 2.93Å; A469-R473 WeakPolarHBondContact O-CB 3.31Å; A469-R473 WeakPolarHBondContact O-CD 3.24Å; A469-R473 WeakPolarHBondContact O-CG 3.49Å; A469-R473 PolarHBondContact O-N 3.27Å
470	T	83.8	Confident	73.2	Confident	70 Å²	70	86.2 Å²	86.2	43%	0.429	48%	0.48	S	S	.	.	H	α-helix	trans	-67.8	-47.8	175.5	-59.4	0	0	0	0	111.3	A466 S467 W468 L472 R473 Q474	A466-T470 WeakPolarHBondContact O-CB 3.42Å; A466-T470 PolarHBondContact O-N 3.38Å; A466-T470 PolarHBondContact O-OG1 3.44Å; S467-T470 PolarHBondContact O-N 2.95Å; W468-T470 VanDerWaalsContact C-N 3.29Å; W468-T470 PolarHBondContact O-N 3.09Å; T470-L472 VanDerWaalsContact C-N 3.34Å; T470-L472 PolarHBondContact O-N 2.88Å; T470-R473 PolarHBondContact O-N 2.75Å; T470-Q474 WeakPolarHBondContact O-CG 3.34Å; T470-Q474 PolarHBondContact O-N 3.04Å
471	T	83.6	Confident	75.5	Confident	66 Å²	66	82.2 Å²	82.2	41%	0.405	46%	0.459	S	S	.	.	H	α-helix	trans	-58.4	-44.4	175.8	-62.3	0	0	0	0	111.7	S467 W468 Q474 S475	S467-T471 WeakPolarHBondContact O-CB 3.32Å; S467-T471 PolarHBondContact O-N 3.39Å; S467-T471 PolarHBondContact O-OG1 3.44Å; S467-T471 VanDerWaalsContact O-OG1 3.06Å; W468-T471 PolarHBondContact O-N 2.89Å; T471-Q474 PolarHBondContact O-N 2.9Å; T471-S475 WeakPolarHBondContact O-CB 3.23Å; T471-S475 PolarHBondContact O-N 3.15Å
472	L	80.9	Confident	77.7	Confident	53 Å²	53	80.3 Å²	80.3	28%	0.277	45%	0.445	S	S	.	.	H	α-helix	trans	-63.4	-46.4	176.5	-177.6	63	0	0	0	111.8	W468 T470 Q474 S475 M476	W468-L472 HydrophobicContact CH2-CD2 3.62Å; W468-L472 HydrophobicContact CZ2-CD2 3.78Å; W468-L472 HydrophobicContact CZ3-CD2 4.17Å; W468-L472 WeakPolarHBondContact O-CB 3.39Å; W468-L472 PolarHBondContact O-N 3.38Å; T470-L472 VanDerWaalsContact C-N 3.34Å; T470-L472 PolarHBondContact O-N 2.88Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Q474 PolarHBondContact O-N 2.74Å; L472-S475 PolarHBondContact O-N 3.19Å; L472-M476 HydrophobicContact CD1-CG 4.3Å; L472-M476 HydrophobicContact CD1-SD 4.4Å; L472-M476 HydrophobicContact CG-CE 4.06Å; L472-M476 HydrophobicContact CG-SD 4.26Å; L472-M476 WeakPolarHBondContact O-CG 3.39Å; L472-M476 PolarHBondContact O-N 3.49Å
473	R	83.5	Confident	79.8	Confident	183 Å²	183	77.7 Å²	77.7	69%	0.691	42%	0.422	S	S	*	.	H	α-helix	trans	-58.2	-43.9	175.3	-76.1	169.2	-179.7	-172.1	0.5	112	A469 T470 M476 K477	A469-R473 WeakPolarHBondContact O-CB 3.31Å; A469-R473 WeakPolarHBondContact O-CD 3.24Å; A469-R473 WeakPolarHBondContact O-CG 3.49Å; A469-R473 PolarHBondContact O-N 3.27Å; T470-R473 PolarHBondContact O-N 2.75Å; R473-M476 HydrophobicContact CG-CE 4.46Å; R473-K477 WeakPolarHBondContact O-CB 3.45Å; R473-K477 PolarHBondContact O-N 3.45Å
474	Q	85.2	Confident	81.8	Confident	82 Å²	82	75.5 Å²	75.5	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-63.3	-46.4	174.9	-70.2	-172.5	21.7	0	0	111.7	T470 T471 L472 M476 K477 R478	T470-Q474 WeakPolarHBondContact O-CG 3.34Å; T470-Q474 PolarHBondContact O-N 3.04Å; T471-Q474 PolarHBondContact O-N 2.9Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Q474 PolarHBondContact O-N 2.74Å; Q474-M476 PolarHBondContact O-N 3.22Å; Q474-K477 PolarHBondContact O-N 3.27Å; Q474-R478 VanDerWaalsContact O-CG 3.24Å; Q474-R478 WeakPolarHBondContact O-CG 3.22Å; Q474-R478 PolarHBondContact O-N 2.89Å
475	S	79.7	Confident	83.7	Confident	30 Å²	30	72.9 Å²	72.9	21%	0.21	38%	0.379	C	S	.	.	H	α-helix	trans	-59.1	-45.5	178.3	-173	0	0	0	0	112	L435 T471 L472 R478 A479	L435-S475 WeakPolarHBondContact CD2-OG 3.28Å; T471-S475 WeakPolarHBondContact O-CB 3.23Å; T471-S475 PolarHBondContact O-N 3.15Å; L472-S475 PolarHBondContact O-N 3.19Å; S475-R478 PolarHBondContact O-N 2.58Å; S475-A479 PolarHBondContact O-N 2.96Å
476	M	83.5	Confident	85.3	Confident	106 Å²	106	70.9 Å²	70.9	52%	0.522	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-41.1	175.5	-67.5	-174.5	-55.8	0	0	112	L472 R473 Q474 A479 N480	L472-M476 HydrophobicContact CD1-CG 4.3Å; L472-M476 HydrophobicContact CD1-SD 4.4Å; L472-M476 HydrophobicContact CG-CE 4.06Å; L472-M476 HydrophobicContact CG-SD 4.26Å; L472-M476 WeakPolarHBondContact O-CG 3.39Å; L472-M476 PolarHBondContact O-N 3.49Å; R473-M476 HydrophobicContact CG-CE 4.46Å; Q474-M476 PolarHBondContact O-N 3.22Å; M476-A479 PolarHBondContact O-N 2.8Å; M476-N480 WeakPolarHBondContact O-CB 3.45Å; M476-N480 PolarHBondContact O-N 3.46Å
477	K	87.3	Confident	86.5	Confident	133 Å²	133	68 Å²	68	58%	0.578	34%	0.338	S	S	*	.	H	α-helix	trans	-61.9	-42.4	174.5	-174.5	175.9	178.6	-179.8	0	112	R473 Q474 N480 N481	R473-K477 WeakPolarHBondContact O-CB 3.45Å; R473-K477 PolarHBondContact O-N 3.45Å; Q474-K477 PolarHBondContact O-N 3.27Å; K477-N480 PolarHBondContact O-N 2.92Å; K477-N481 WeakPolarHBondContact O-CB 3.47Å; K477-N481 VanDerWaalsContact O-CG 3.28Å; K477-N481 PolarHBondContact O-N 2.95Å; K477-N481 PolarHBondContact O-OD1 2.87Å
478	R	84.5	Confident	87.5	Confident	100 Å²	100	64.5 Å²	64.5	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-48.1	175	-65.4	166.9	-157.4	-169.8	0.7	111.1	P336 Q474 S475 N481 K482	P336-R478 HydrophobicContact CB-CG 3.88Å; P336-R478 HydrophobicContact CG-CG 3.92Å; Q474-R478 VanDerWaalsContact O-CG 3.24Å; Q474-R478 WeakPolarHBondContact O-CG 3.22Å; Q474-R478 PolarHBondContact O-N 2.89Å; S475-R478 PolarHBondContact O-N 2.58Å; R478-N481 PolarHBondContact O-N 2.89Å; R478-K482 WeakPolarHBondContact O-CB 3.33Å; R478-K482 PolarHBondContact O-N 2.88Å
479	A	83.9	Confident	88.6	Confident	50 Å²	50	59.4 Å²	59.4	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-42	178.4	0	0	0	0	0	112.4	S475 M476 K482 R483	S475-A479 PolarHBondContact O-N 2.96Å; M476-A479 PolarHBondContact O-N 2.8Å; A479-K482 PolarHBondContact O-N 2.89Å; A479-R483 PolarHBondContact O-N 2.94Å
480	N	89.6	Confident	89.4	Confident	81 Å²	81	58 Å²	58	43%	0.433	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-47.2	176.6	-163.7	80.6	0	0	0	111.9	M476 K477 K482 R483 T484	M476-N480 WeakPolarHBondContact O-CB 3.45Å; M476-N480 PolarHBondContact O-N 3.46Å; K477-N480 PolarHBondContact O-N 2.92Å; N480-K482 PolarHBondContact O-N 3.45Å; N480-R483 WeakPolarHBondContact O-CB 3.16Å; N480-R483 PolarHBondContact O-N 2.89Å; N480-R483 VanDerWaalsContact O-N 3.09Å; N480-T484 PolarHBondContact O-N 3.01Å; N480-T484 PolarHBondContact O-OG1 3.05Å
481	N	91.8	Very high	90	Very high	46 Å²	46	54.9 Å²	54.9	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-38.8	175.6	-74.3	18.7	0	0	0	111.6	K477 R478 L485 I508	K477-N481 WeakPolarHBondContact O-CB 3.47Å; K477-N481 VanDerWaalsContact O-CG 3.28Å; K477-N481 PolarHBondContact O-N 2.95Å; K477-N481 PolarHBondContact O-OD1 2.87Å; R478-N481 PolarHBondContact O-N 2.89Å; N481-L485 WeakPolarHBondContact O-CB 3.43Å; N481-L485 PolarHBondContact O-N 2.76Å; N481-I508 HydrophobicContact CB-CD1 4.15Å
482	K	91.4	Very high	90.7	Very high	94 Å²	94	51.8 Å²	51.8	41%	0.409	24%	0.244	S	C	.	.	H	α-helix	trans	-66	-42.2	174.8	-166.4	167.4	-178.5	170.1	0	111.9	D432 R478 A479 N480 L486	D432-K482 IonicContact OD1-NZ 3.19Å; D432-K482 PolarHBondContact OD1-NZ 3.12Å; D432-K482 IonicContact OD2-NZ 2.68Å; D432-K482 PolarHBondContact OD2-NZ 2.95Å; R478-K482 WeakPolarHBondContact O-CB 3.33Å; R478-K482 PolarHBondContact O-N 2.88Å; A479-K482 PolarHBondContact O-N 2.89Å; N480-K482 PolarHBondContact O-N 3.45Å; K482-L486 HydrophobicContact CG-CD1 4.2Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 WeakPolarHBondContact O-CG 3.44Å; K482-L486 PolarHBondContact O-N 3.09Å
483	R	92.5	Very high	91.5	Very high	60 Å²	60	49.6 Å²	49.6	23%	0.226	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-54.1	173	-177.9	-167.8	-167.9	160.1	8.8	111.3	A479 N480 L486 A487 A869 E872 E873	A479-R483 PolarHBondContact O-N 2.94Å; N480-R483 WeakPolarHBondContact O-CB 3.16Å; N480-R483 PolarHBondContact O-N 2.89Å; N480-R483 VanDerWaalsContact O-N 3.09Å; R483-L486 PolarHBondContact O-N 2.93Å; R483-A487 WeakPolarHBondContact O-CB 3.22Å; R483-A487 PolarHBondContact O-N 3.13Å; R483-A869 HydrophobicContact CG-CB 4.4Å; R483-A869 VanDerWaalsContact CZ-O 3.3Å; R483-A869 PolarHBondContact NE-O 3.29Å; R483-A869 PolarHBondContact NH2-O 2.85Å; R483-E872 IonicContact CZ-OE2 2.83Å; R483-E872 VanDerWaalsContact NH2-CB 3.29Å; R483-E872 IonicContact NH2-OE2 3.7Å; R483-E872 PolarHBondContact NH2-OE2 3.18Å; R483-E873 HydrophobicContact CG-CB 4.34Å; R483-E873 HydrophobicContact CG-CG 4.47Å; R483-E873 IonicContact CZ-OE2 2.72Å; R483-E873 IonicContact NE-OE2 3.5Å; R483-E873 PolarHBondContact NE-OE2 3.05Å
484	T	94.8	Very high	92	Very high	5 Å²	5	45 Å²	45	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-38.3	-177.6	-55.5	0	0	0	0	112	N480 G488 Y502 N506 I508 E873	N480-T484 PolarHBondContact O-N 3.01Å; N480-T484 PolarHBondContact O-OG1 3.05Å; T484-G488 PolarHBondContact O-N 2.88Å; T484-Y502 HydrophobicContact CG2-CE1 3.75Å; T484-Y502 WeakPolarHBondContact O-CE1 3.29Å; T484-N506 HydrophobicContact CG2-CB 3.57Å; T484-I508 HydrophobicContact CG2-CD1 4.39Å; T484-I508 HydrophobicContact CG2-CG1 3.91Å; T484-E873 PolarHBondContact OG1-OE1 3.18Å
485	L	96.2	Very high	92.5	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.115	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-53.5	171.5	173.5	63.9	0	0	0	111.5	I333 N481 A487 G488 C489 L503 I508 F519	I333-L485 HydrophobicContact CD1-CD1 4.46Å; I333-L485 HydrophobicContact CD1-CD2 4.01Å; N481-L485 WeakPolarHBondContact O-CB 3.43Å; N481-L485 PolarHBondContact O-N 2.76Å; L485-A487 VanDerWaalsContact C-N 3.34Å; L485-A487 PolarHBondContact O-N 3.35Å; L485-G488 WeakPolarHBondContact O-CA 3.48Å; L485-G488 PolarHBondContact O-N 2.97Å; L485-G488 VanDerWaalsContact O-N 3.1Å; L485-C489 PolarHBondContact O-N 2.87Å; L485-C489 PolarHBondContact O-SG 3.38Å; L485-C489 VanDerWaalsContact O-SG 3.33Å; L485-L503 HydrophobicContact CD1-CD2 4.2Å; L485-I508 HydrophobicContact CB-CG2 4.22Å; L485-I508 HydrophobicContact CD1-CG2 3.92Å; L485-F519 HydrophobicContact CD1-CE2 3.91Å
486	L	96.1	Very high	93.3	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.194	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-38.6	-177.6	-65.4	170.3	0	0	0	111.9	K482 R483 C489 T490 E870	K482-L486 HydrophobicContact CG-CD1 4.2Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 WeakPolarHBondContact O-CG 3.44Å; K482-L486 PolarHBondContact O-N 3.09Å; R483-L486 PolarHBondContact O-N 2.93Å; L486-C489 PolarHBondContact O-N 3.19Å; L486-T490 PolarHBondContact O-N 2.92Å; L486-T490 PolarHBondContact O-OG1 2.97Å; L486-E870 HydrophobicContact CB-CG 4.44Å
487	A	96.5	Very high	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-42.2	171.3	0	0	0	0	0	112	R483 L485 C489 T490 L491 Y502 E870 E873 L874	R483-A487 WeakPolarHBondContact O-CB 3.22Å; R483-A487 PolarHBondContact O-N 3.13Å; L485-A487 VanDerWaalsContact C-N 3.34Å; L485-A487 PolarHBondContact O-N 3.35Å; A487-C489 PolarHBondContact O-N 2.89Å; A487-T490 CarbonylContact O-C 3.59Å; A487-T490 PolarHBondContact O-N 3.32Å; A487-L491 WeakPolarHBondContact O-CG 3.3Å; A487-L491 PolarHBondContact O-N 3.06Å; A487-Y502 HydrophobicContact CB-CE1 4.38Å; A487-E870 HydrophobicContact CB-CG 4.29Å; A487-E873 HydrophobicContact CB-CB 4.04Å; A487-E873 HydrophobicContact CB-CG 3.6Å; A487-L874 HydrophobicContact CB-CD2 3.97Å; A487-L874 HydrophobicContact CB-CG 4.19Å; A487-L874 WeakPolarHBondContact O-CD2 3.46Å
488	G	97.3	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-41.3	174.3	0	0	0	0	0	113.3	T484 L485 L491 F492	T484-G488 PolarHBondContact O-N 2.88Å; L485-G488 WeakPolarHBondContact O-CA 3.48Å; L485-G488 PolarHBondContact O-N 2.97Å; L485-G488 VanDerWaalsContact O-N 3.1Å; G488-L491 PolarHBondContact O-N 3.47Å; G488-F492 WeakPolarHBondContact O-CB 3.28Å; G488-F492 PolarHBondContact O-N 3.11Å
489	C	97.4	Very high	94.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-42.5	171.7	-64.9	0	0	0	0	111.8	L485 L486 A487 L491 F492 N493 N525 L526	L485-C489 PolarHBondContact O-N 2.87Å; L485-C489 PolarHBondContact O-SG 3.38Å; L485-C489 VanDerWaalsContact O-SG 3.33Å; L486-C489 PolarHBondContact O-N 3.19Å; A487-C489 PolarHBondContact O-N 2.89Å; C489-L491 VanDerWaalsContact C-N 3.34Å; C489-L491 PolarHBondContact O-N 3.39Å; C489-F492 PolarHBondContact O-N 3.19Å; C489-N493 WeakPolarHBondContact O-CB 3.09Å; C489-N493 PolarHBondContact O-N 3.05Å; C489-N493 PolarHBondContact O-ND2 2.98Å; C489-N525 HydrophobicContact CB-CB 3.86Å; C489-L526 HydrophobicContact CB-CD2 4.09Å
490	T	97.2	Very high	95.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-32.5	176.2	-65.8	0	0	0	0	112.4	L486 A487 R494 H701 N736 E870 L874	L486-T490 PolarHBondContact O-N 2.92Å; L486-T490 PolarHBondContact O-OG1 2.97Å; A487-T490 CarbonylContact O-C 3.59Å; A487-T490 PolarHBondContact O-N 3.32Å; T490-R494 WeakPolarHBondContact O-CG 3.22Å; T490-R494 PolarHBondContact O-N 2.71Å; T490-H701 HydrophobicContact CG2-CB 4.16Å; T490-N736 PolarHBondContact OG1-ND2 3.23Å; T490-N736 VanDerWaalsContact OG1-ND2 3.14Å; T490-E870 WeakPolarHBondContact CB-OE1 3.25Å; T490-E870 PolarHBondContact OG1-OE1 2.69Å; T490-L874 HydrophobicContact CG2-CD1 3.51Å
491	L	97.3	Very high	95.8	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-47.6	168.6	-72.1	170.4	0	0	0	111.5	A487 G488 C489 N493 R494 N495 E498 Y502 L874	A487-L491 WeakPolarHBondContact O-CG 3.3Å; A487-L491 PolarHBondContact O-N 3.06Å; G488-L491 PolarHBondContact O-N 3.47Å; C489-L491 VanDerWaalsContact C-N 3.34Å; C489-L491 PolarHBondContact O-N 3.39Å; L491-N493 VanDerWaalsContact C-N 3.32Å; L491-N493 PolarHBondContact O-N 3.18Å; L491-R494 CarbonylContact O-C 3.57Å; L491-R494 WeakPolarHBondContact O-CA 3.39Å; L491-R494 WeakPolarHBondContact O-CB 3.41Å; L491-R494 PolarHBondContact O-N 2.69Å; L491-N495 CarbonylContact O-C 3.51Å; L491-N495 PolarHBondContact O-N 2.96Å; L491-N495 VanDerWaalsContact O-O 3.14Å; L491-E498 HydrophobicContact CD2-CG 4.44Å; L491-Y502 HydrophobicContact CD1-CD1 3.83Å; L491-Y502 HydrophobicContact CD1-CD2 3.52Å; L491-Y502 HydrophobicContact CD1-CE1 4.29Å; L491-Y502 HydrophobicContact CD1-CE2 4.04Å; L491-Y502 HydrophobicContact CD1-CG 3.4Å; L491-L874 HydrophobicContact CD1-CD2 4.07Å; L491-L874 HydrophobicContact CD2-CD2 3.75Å; L491-L874 HydrophobicContact CG-CD2 3.51Å
492	F	98	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.3	-46.6	178	-176.4	-89.7	0	0	0	111.7	G488 C489 R494 N495 P496 V500 L520 L526 A530 I531 Y534	G488-F492 WeakPolarHBondContact O-CB 3.28Å; G488-F492 PolarHBondContact O-N 3.11Å; C489-F492 PolarHBondContact O-N 3.19Å; F492-R494 PolarHBondContact O-N 3.42Å; F492-N495 CarbonylContact O-C 3.5Å; F492-N495 VanDerWaalsContact O-C 3.27Å; F492-N495 PolarHBondContact O-N 3.01Å; F492-P496 HydrophobicContact CD2-CB 3.96Å; F492-P496 WeakPolarHBondContact CD2-O 3.45Å; F492-P496 HydrophobicContact CE2-CB 3.68Å; F492-P496 HydrophobicContact CG-CB 4.48Å; F492-P496 HydrophobicContact CZ-CB 3.97Å; F492-P496 WeakPolarHBondContact O-CA 3.42Å; F492-P496 WeakPolarHBondContact O-CD 3.18Å; F492-P496 VanDerWaalsContact O-N 3.17Å; F492-V500 HydrophobicContact CD2-CG2 3.88Å; F492-V500 HydrophobicContact CE2-CG2 3.82Å; F492-L520 HydrophobicContact CE1-CD2 4.26Å; F492-L520 HydrophobicContact CE2-CD2 3.64Å; F492-L520 HydrophobicContact CZ-CD2 3.45Å; F492-L520 VanDerWaalsContact CZ-CD2 3.45Å; F492-L526 HydrophobicContact CB-CD2 4.3Å; F492-L526 HydrophobicContact CD1-CD2 3.77Å; F492-L526 HydrophobicContact CE1-CB 4.5Å; F492-L526 HydrophobicContact CE1-CD1 4.4Å; F492-L526 HydrophobicContact CE1-CD2 4.33Å; F492-L526 HydrophobicContact CG-CD2 4.11Å; F492-A530 HydrophobicContact CD1-CB 3.81Å; F492-A530 HydrophobicContact CE1-CB 3.63Å; F492-I531 HydrophobicContact CE1-CG1 3.89Å; F492-I531 HydrophobicContact CZ-CG1 4.16Å; F492-Y534 HydrophobicContact CE2-CD2 4.48Å; F492-Y534 HydrophobicContact CE2-CG 4.41Å
493	N	97.1	Very high	96.3	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-20.3	179.9	-69.4	-20.1	0	0	0	113.5	C489 L491 N525 N527 R700 H701	C489-N493 WeakPolarHBondContact O-CB 3.09Å; C489-N493 PolarHBondContact O-N 3.05Å; C489-N493 PolarHBondContact O-ND2 2.98Å; L491-N493 VanDerWaalsContact C-N 3.32Å; L491-N493 PolarHBondContact O-N 3.18Å; N493-N525 PolarHBondContact ND2-O 2.84Å; N493-N527 HydrophobicContact CB-CB 4.42Å; N493-N527 WeakPolarHBondContact OD1-CB 3.37Å; N493-N527 PolarHBondContact OD1-N 3.19Å; N493-R700 HydrophobicContact CB-CB 4.43Å; N493-R700 WeakPolarHBondContact CB-O 3.27Å; N493-R700 WeakPolarHBondContact O-CB 3.42Å; N493-R700 PolarHBondContact O-NE 3.05Å; N493-H701 HydrophobicContact CB-CB 3.67Å
494	R	95.6	Very high	96.5	Very high	86 Å²	86	21.1 Å²	21.1	33%	0.325	11%	0.106	S	C	.	.	H	α-helix	trans	-81.6	-61.6	166.5	-71.5	172.2	174.1	162.5	1.5	110.4	T490 L491 F492 R700 H701	T490-R494 WeakPolarHBondContact O-CG 3.22Å; T490-R494 PolarHBondContact O-N 2.71Å; L491-R494 CarbonylContact O-C 3.57Å; L491-R494 WeakPolarHBondContact O-CA 3.39Å; L491-R494 WeakPolarHBondContact O-CB 3.41Å; L491-R494 PolarHBondContact O-N 2.69Å; F492-R494 PolarHBondContact O-N 3.42Å; R494-R700 PolarHBondContact O-NH2 2.87Å; R494-H701 HydrophobicContact CG-CB 3.71Å; R494-H701 VanDerWaalsContact CG-CG 3.49Å; R494-H701 WeakPolarHBondContact CG-ND1 3.35Å; R494-H701 PolarHBondContact NE-CD2 3.38Å; R494-H701 PolarHBondContact NE-CE1 2.81Å; R494-H701 PolarHBondContact NE-NE2 2.62Å; R494-H701 PolarHBondContact NH2-CD2 3.14Å; R494-H701 PolarHBondContact NH2-NE2 2.98Å
495	N	96	Very high	96.5	Very high	67 Å²	67	27.4 Å²	27.4	36%	0.358	13%	0.129	S	C	.	.			trans	-138.5	107.1	-175.9	174.6	9.6	0	0	0	109.5	L491 F492 V497 E498 G499	L491-N495 CarbonylContact O-C 3.51Å; L491-N495 PolarHBondContact O-N 2.96Å; L491-N495 VanDerWaalsContact O-O 3.14Å; F492-N495 CarbonylContact O-C 3.5Å; F492-N495 VanDerWaalsContact O-C 3.27Å; F492-N495 PolarHBondContact O-N 3.01Å; N495-V497 VanDerWaalsContact C-N 3.35Å; N495-V497 PolarHBondContact O-N 2.82Å; N495-E498 HydrophobicContact CB-CB 3.95Å; N495-E498 VanDerWaalsContact ND2-CB 3.33Å; N495-E498 WeakPolarHBondContact ND2-CB 3.36Å; N495-E498 PolarHBondContact ND2-OE2 2.98Å; N495-E498 WeakPolarHBondContact O-CB 3.26Å; N495-E498 PolarHBondContact O-N 3.14Å; N495-E498 VanDerWaalsContact O-N 3.11Å; N495-G499 PolarHBondContact O-N 3.4Å; N495-G499 VanDerWaalsContact O-N 3.09Å
496	P	96.5	Very high	96.4	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-59	-39.1	-171.4	-28	35.2	0	0	0	114.9	F492 E498 G499 V500 A530 E533 Y534	F492-P496 HydrophobicContact CD2-CB 3.96Å; F492-P496 WeakPolarHBondContact CD2-O 3.45Å; F492-P496 HydrophobicContact CE2-CB 3.68Å; F492-P496 HydrophobicContact CG-CB 4.48Å; F492-P496 HydrophobicContact CZ-CB 3.97Å; F492-P496 WeakPolarHBondContact O-CA 3.42Å; F492-P496 WeakPolarHBondContact O-CD 3.18Å; F492-P496 VanDerWaalsContact O-N 3.17Å; P496-E498 VanDerWaalsContact C-N 3.3Å; P496-E498 PolarHBondContact O-N 2.8Å; P496-G499 PolarHBondContact O-N 3.01Å; P496-V500 WeakPolarHBondContact O-CG2 3.28Å; P496-V500 PolarHBondContact O-N 3.32Å; P496-A530 HydrophobicContact CG-CB 4.18Å; P496-A530 WeakPolarHBondContact CG-O 3.43Å; P496-E533 HydrophobicContact CG-CB 4.27Å; P496-Y534 HydrophobicContact CB-CD2 3.88Å; P496-Y534 HydrophobicContact CB-CG 4.25Å
497	V	95.9	Very high	96.3	Very high	42 Å²	42	36.8 Å²	36.8	26%	0.255	17%	0.167	S	C	.	.	H	α-helix	trans	-63	-39.3	179	-177.5	0	0	0	0	111.3	N495 N501 L537	N495-V497 VanDerWaalsContact C-N 3.35Å; N495-V497 PolarHBondContact O-N 2.82Å; V497-N501 VanDerWaalsContact O-CB 3.27Å; V497-N501 WeakPolarHBondContact O-CB 3.38Å; V497-N501 PolarHBondContact O-N 3.34Å; V497-N501 PolarHBondContact O-ND2 2.95Å; V497-L537 HydrophobicContact CG2-CD1 3.29Å; V497-L537 HydrophobicContact CG2-CD2 4.43Å; V497-L537 HydrophobicContact CG2-CG 4.5Å
498	E	95.5	Very high	96.1	Very high	36 Å²	36	37.6 Å²	37.6	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-72.4	-38.4	-179.7	-179.3	166.7	176.6	0	0	111.7	L491 N495 P496 Y502 K881	L491-E498 HydrophobicContact CD2-CG 4.44Å; N495-E498 HydrophobicContact CB-CB 3.95Å; N495-E498 VanDerWaalsContact ND2-CB 3.33Å; N495-E498 WeakPolarHBondContact ND2-CB 3.36Å; N495-E498 PolarHBondContact ND2-OE2 2.98Å; N495-E498 WeakPolarHBondContact O-CB 3.26Å; N495-E498 PolarHBondContact O-N 3.14Å; N495-E498 VanDerWaalsContact O-N 3.11Å; P496-E498 VanDerWaalsContact C-N 3.3Å; P496-E498 PolarHBondContact O-N 2.8Å; E498-Y502 WeakPolarHBondContact O-CB 3.32Å; E498-Y502 PolarHBondContact O-N 3.11Å; E498-K881 IonicContact OE1-NZ 3.32Å; E498-K881 PolarHBondContact OE1-NZ 2.78Å; E498-K881 IonicContact OE2-NZ 3.36Å; E498-K881 PolarHBondContact OE2-NZ 2.81Å
499	G	96.7	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-49.5	172.1	0	0	0	0	0	113.6	N495 P496 Y502 L503	N495-G499 PolarHBondContact O-N 3.4Å; N495-G499 VanDerWaalsContact O-N 3.09Å; P496-G499 PolarHBondContact O-N 3.01Å; G499-Y502 PolarHBondContact O-N 3.29Å; G499-L503 WeakPolarHBondContact O-CG 3.47Å; G499-L503 PolarHBondContact O-N 2.83Å
500	V	97	Very high	95.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-47.6	177.3	173.5	0	0	0	0	110.8	F492 P496 Y502 L503 I504 I516 Y534	F492-V500 HydrophobicContact CD2-CG2 3.88Å; F492-V500 HydrophobicContact CE2-CG2 3.82Å; P496-V500 WeakPolarHBondContact O-CG2 3.28Å; P496-V500 PolarHBondContact O-N 3.32Å; V500-Y502 VanDerWaalsContact C-N 3.3Å; V500-Y502 PolarHBondContact O-N 3.19Å; V500-L503 PolarHBondContact O-N 3.46Å; V500-I504 HydrophobicContact CG1-CD1 3.65Å; V500-I504 HydrophobicContact CG1-CG1 4.47Å; V500-I504 VanDerWaalsContact O-CG1 3.31Å; V500-I504 WeakPolarHBondContact O-CG1 3.17Å; V500-I504 PolarHBondContact O-N 3.49Å; V500-I516 HydrophobicContact CG1-CD1 4.26Å; V500-I516 HydrophobicContact CG1-CG2 4.49Å; V500-Y534 HydrophobicContact CB-CE2 4.37Å; V500-Y534 HydrophobicContact CG2-CD2 4.35Å; V500-Y534 HydrophobicContact CG2-CE2 3.84Å
501	N	96.2	Very high	95.6	Very high	75 Å²	75	47 Å²	47	40%	0.401	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-36.5	177.4	-74.8	-20	0	0	0	112.7	V497 R505	V497-N501 VanDerWaalsContact O-CB 3.27Å; V497-N501 WeakPolarHBondContact O-CB 3.38Å; V497-N501 PolarHBondContact O-N 3.34Å; V497-N501 PolarHBondContact O-ND2 2.95Å; N501-R505 WeakPolarHBondContact O-CB 3.31Å; N501-R505 WeakPolarHBondContact O-CG 3.24Å; N501-R505 PolarHBondContact O-N 3.37Å
502	Y	96.8	Very high	95.5	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-67.9	-45.6	176.6	177.7	-90.2	0	0	0	112.1	T484 A487 L491 E498 G499 V500 I504 R505 N506 E873 H877	T484-Y502 HydrophobicContact CG2-CE1 3.75Å; T484-Y502 WeakPolarHBondContact O-CE1 3.29Å; A487-Y502 HydrophobicContact CB-CE1 4.38Å; L491-Y502 HydrophobicContact CD1-CD1 3.83Å; L491-Y502 HydrophobicContact CD1-CD2 3.52Å; L491-Y502 HydrophobicContact CD1-CE1 4.29Å; L491-Y502 HydrophobicContact CD1-CE2 4.04Å; L491-Y502 HydrophobicContact CD1-CG 3.4Å; E498-Y502 WeakPolarHBondContact O-CB 3.32Å; E498-Y502 PolarHBondContact O-N 3.11Å; G499-Y502 PolarHBondContact O-N 3.29Å; V500-Y502 VanDerWaalsContact C-N 3.3Å; V500-Y502 PolarHBondContact O-N 3.19Å; Y502-I504 VanDerWaalsContact C-N 3.29Å; Y502-I504 PolarHBondContact O-N 3.48Å; Y502-R505 PolarHBondContact O-N 2.72Å; Y502-N506 VanDerWaalsContact CE2-ND2 3.34Å; Y502-N506 WeakPolarHBondContact CE2-ND2 3.2Å; Y502-N506 PolarHBondContact O-N 3.03Å; Y502-N506 VanDerWaalsContact O-N 3.12Å; Y502-N506 PolarHBondContact O-ND2 3.08Å; Y502-E873 WeakPolarHBondContact OH-CG 3.21Å; Y502-E873 PolarHBondContact OH-OE1 2.75Å; Y502-H877 HydrophobicContact CD2-CB 4.42Å; Y502-H877 AromaticContact CD2-CD2 3.89Å; Y502-H877 AromaticContact CD2-CE1 3.75Å; Y502-H877 AromaticContact CD2-CG 3.69Å; Y502-H877 AromaticContact CD2-ND1 3.59Å; Y502-H877 AromaticContact CD2-NE2 3.94Å; Y502-H877 HydrophobicContact CE2-CB 3.97Å; Y502-H877 AromaticContact CE2-CG 3.73Å; Y502-H877 AromaticContact CE2-ND1 3.81Å
503	L	96.6	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-36.3	178.3	-70.1	164.6	0	0	0	111.9	L485 G499 V500 Y507 I508 L509 F519	L485-L503 HydrophobicContact CD1-CD2 4.2Å; G499-L503 WeakPolarHBondContact O-CG 3.47Å; G499-L503 PolarHBondContact O-N 2.83Å; V500-L503 PolarHBondContact O-N 3.46Å; L503-Y507 PolarHBondContact O-N 3.42Å; L503-I508 HydrophobicContact CD2-CB 4Å; L503-I508 HydrophobicContact CD2-CG2 3.79Å; L503-I508 PolarHBondContact O-N 2.84Å; L503-L509 HydrophobicContact CB-CB 3.76Å; L503-L509 HydrophobicContact CB-CD2 4.27Å; L503-L509 HydrophobicContact CD1-CD2 4.39Å; L503-L509 PolarHBondContact O-N 3.09Å; L503-L509 VanDerWaalsContact O-N 3.15Å; L503-F519 HydrophobicContact CD1-CD1 4.47Å; L503-F519 HydrophobicContact CD1-CE1 3.52Å; L503-F519 HydrophobicContact CD1-CE2 4.28Å; L503-F519 HydrophobicContact CD1-CZ 3.41Å; L503-F519 VanDerWaalsContact CD1-CZ 3.41Å
504	I	96	Very high	95.5	Very high	39 Å²	39	54 Å²	54	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-47.8	174	-66.5	166.5	0	0	0	111.6	V500 Y502 N506 Y507 L509 I516	V500-I504 HydrophobicContact CG1-CD1 3.65Å; V500-I504 HydrophobicContact CG1-CG1 4.47Å; V500-I504 VanDerWaalsContact O-CG1 3.31Å; V500-I504 WeakPolarHBondContact O-CG1 3.17Å; V500-I504 PolarHBondContact O-N 3.49Å; Y502-I504 VanDerWaalsContact C-N 3.29Å; Y502-I504 PolarHBondContact O-N 3.48Å; I504-N506 PolarHBondContact O-N 3.08Å; I504-Y507 PolarHBondContact O-N 2.99Å; I504-L509 WeakPolarHBondContact CA-O 3.36Å; I504-L509 HydrophobicContact CG1-CB 4.46Å; I504-I516 HydrophobicContact CD1-CD1 4.32Å
505	R	95.1	Very high	95.5	Very high	137 Å²	137	51.8 Å²	51.8	52%	0.517	26%	0.257	S	S	.	.	H	α-helix	trans	-58.7	-30.3	178.5	-77.7	174.1	-173	-153.1	5.3	113.4	N501 Y502 E884	N501-R505 WeakPolarHBondContact O-CB 3.31Å; N501-R505 WeakPolarHBondContact O-CG 3.24Å; N501-R505 PolarHBondContact O-N 3.37Å; Y502-R505 PolarHBondContact O-N 2.72Å; R505-E884 IonicContact NH1-OE1 2.95Å; R505-E884 PolarHBondContact NH1-OE1 2.75Å; R505-E884 IonicContact NH1-OE2 2.75Å; R505-E884 PolarHBondContact NH1-OE2 3.24Å
506	N	93.9	Very high	95.6	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.8	179.2	-66	-74.3	0	0	0	113.8	T484 Y502 I504 I508	T484-N506 HydrophobicContact CG2-CB 3.57Å; Y502-N506 VanDerWaalsContact CE2-ND2 3.34Å; Y502-N506 WeakPolarHBondContact CE2-ND2 3.2Å; Y502-N506 PolarHBondContact O-N 3.03Å; Y502-N506 VanDerWaalsContact O-N 3.12Å; Y502-N506 PolarHBondContact O-ND2 3.08Å; I504-N506 PolarHBondContact O-N 3.08Å; N506-I508 HydrophobicContact CB-CG1 4.18Å; N506-I508 PolarHBondContact O-N 3.15Å; N506-I508 VanDerWaalsContact O-N 3.09Å
507	Y	93.6	Very high	95.7	Very high	191 Å²	191	48.2 Å²	48.2	75%	0.749	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	21.9	179.2	-48.4	-84.4	0	0	0	114.9	L503 I504	L503-Y507 PolarHBondContact O-N 3.42Å; I504-Y507 PolarHBondContact O-N 2.99Å
508	I	93.5	Very high	95.8	Very high	18 Å²	18	48.5 Å²	48.5	9%	0.092	24%	0.236	C	C	.	.	S	Bend	trans	-79.6	-30.6	172.5	-56.3	-60.4	0	0	0	110.4	N481 T484 L485 L503 N506	N481-I508 HydrophobicContact CB-CD1 4.15Å; T484-I508 HydrophobicContact CG2-CD1 4.39Å; T484-I508 HydrophobicContact CG2-CG1 3.91Å; L485-I508 HydrophobicContact CB-CG2 4.22Å; L485-I508 HydrophobicContact CD1-CG2 3.92Å; L503-I508 HydrophobicContact CD2-CB 4Å; L503-I508 HydrophobicContact CD2-CG2 3.79Å; L503-I508 PolarHBondContact O-N 2.84Å; N506-I508 HydrophobicContact CB-CG1 4.18Å; N506-I508 PolarHBondContact O-N 3.15Å; N506-I508 VanDerWaalsContact O-N 3.09Å
509	L	93.9	Very high	95.8	Very high	15 Å²	15	47.6 Å²	47.6	8%	0.079	23%	0.232	C	C	.	.	S	Bend	trans	-131.6	139	-179.7	-174.3	58.5	0	0	0	110.3	L503 I504 I516 F519	L503-L509 HydrophobicContact CB-CB 3.76Å; L503-L509 HydrophobicContact CB-CD2 4.27Å; L503-L509 HydrophobicContact CD1-CD2 4.39Å; L503-L509 PolarHBondContact O-N 3.09Å; L503-L509 VanDerWaalsContact O-N 3.15Å; I504-L509 WeakPolarHBondContact CA-O 3.36Å; I504-L509 HydrophobicContact CG1-CB 4.46Å; L509-I516 HydrophobicContact CD2-CG1 4.02Å; L509-I516 HydrophobicContact CD2-CG2 4.44Å; L509-I516 HydrophobicContact CG-CG1 4.19Å; L509-F519 HydrophobicContact CD1-CB 3.64Å; L509-F519 HydrophobicContact CD1-CG 4.03Å; L509-F519 HydrophobicContact CD2-CB 4.29Å; L509-F519 HydrophobicContact CD2-CD1 3.73Å; L509-F519 HydrophobicContact CD2-CE1 4.3Å; L509-F519 HydrophobicContact CD2-CG 4.04Å
510	L	93.7	Very high	95.8	Very high	112 Å²	112	47.9 Å²	47.9	59%	0.586	23%	0.233	S	C	*	.			trans	-80.8	148.2	173.5	-62.7	178	0	0	0	110.6	D512 K515 I516	L510-D512 PolarHBondContact O-N 2.99Å; L510-K515 HydrophobicContact CB-CB 4.22Å; L510-K515 HydrophobicContact CB-CG 4.35Å; L510-K515 HydrophobicContact CD1-CG 4.31Å; L510-I516 WeakPolarHBondContact O-CG1 3.34Å
511	S	93.1	Very high	95.7	Very high	72 Å²	72	49.5 Å²	49.5	50%	0.503	24%	0.241	S	C	.	.	S	Bend	trans	-74.5	15.2	178.6	-169.4	0	0	0	0	114.4
512	D	95.6	Very high	95.6	Very high	60 Å²	60	50.7 Å²	50.7	32%	0.321	24%	0.244	S	C	.	.			trans	-81.8	126.7	178.2	168.4	11.7	0	0	0	110.1	L510 I514 K515 I516	L510-D512 PolarHBondContact O-N 2.99Å; D512-I514 PolarHBondContact O-N 3.38Å; D512-I514 VanDerWaalsContact O-N 3.14Å; D512-I514 PolarHBondContact OD1-N 2.96Å; D512-K515 HydrophobicContact CB-CB 4.19Å; D512-K515 HydrophobicContact CB-CG 4.08Å; D512-K515 PolarHBondContact O-N 3.06Å; D512-K515 VanDerWaalsContact O-N 3.13Å; D512-K515 WeakPolarHBondContact OD2-CG 3.36Å; D512-I516 WeakPolarHBondContact O-CG1 3.12Å; D512-I516 PolarHBondContact O-N 2.81Å
513	P	97.1	Very high	95.5	Very high	25 Å²	25	51 Å²	51	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-47.2	-38.6	174.5	-27.5	32.8	0	0	0	115	A517 L542 K545 V546 E549	P513-A517 VanDerWaalsContact O-CB 3.32Å; P513-A517 WeakPolarHBondContact O-CB 3.2Å; P513-A517 PolarHBondContact O-N 2.88Å; P513-L542 HydrophobicContact CG-CD1 3.9Å; P513-K545 HydrophobicContact CB-CB 3.9Å; P513-K545 HydrophobicContact CG-CB 3.85Å; P513-K545 HydrophobicContact CG-CD 4.11Å; P513-V546 HydrophobicContact CB-CG2 4.22Å; P513-E549 HydrophobicContact CB-CG 3.98Å
514	I	97.3	Very high	95.3	Very high	74 Å²	74	55.3 Å²	55.3	38%	0.379	27%	0.274	S	S	.	.	H	α-helix	trans	-69.5	-46.9	-178.7	-60.6	170.8	0	0	0	110	D512 I516 A517 Q518 E549	D512-I514 PolarHBondContact O-N 3.38Å; D512-I514 VanDerWaalsContact O-N 3.14Å; D512-I514 PolarHBondContact OD1-N 2.96Å; I514-I516 PolarHBondContact O-N 3.28Å; I514-A517 WeakPolarHBondContact O-CB 3.5Å; I514-A517 PolarHBondContact O-N 3.47Å; I514-Q518 WeakPolarHBondContact O-CG 3.37Å; I514-Q518 PolarHBondContact O-N 3.39Å; I514-E549 HydrophobicContact CG1-CB 4.46Å; I514-E549 HydrophobicContact CG1-CG 3.89Å
515	K	96.6	Very high	95.2	Very high	39 Å²	39	54.9 Å²	54.9	17%	0.17	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-36	178.9	-62	-69.7	162.5	-162.3	0	112.2	F332 L510 D512 F519	F332-K515 HydrophobicContact CB-CD 4.15Å; F332-K515 VanDerWaalsContact CE2-NZ 3.31Å; F332-K515 HydrophobicContact CG-CD 4.28Å; L510-K515 HydrophobicContact CB-CB 4.22Å; L510-K515 HydrophobicContact CB-CG 4.35Å; L510-K515 HydrophobicContact CD1-CG 4.31Å; D512-K515 HydrophobicContact CB-CB 4.19Å; D512-K515 HydrophobicContact CB-CG 4.08Å; D512-K515 PolarHBondContact O-N 3.06Å; D512-K515 VanDerWaalsContact O-N 3.13Å; D512-K515 WeakPolarHBondContact OD2-CG 3.36Å; K515-F519 WeakPolarHBondContact O-CB 3.39Å; K515-F519 PolarHBondContact O-N 2.96Å
516	I	97.9	Very high	95.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-41.1	171.8	-57.4	163.8	0	0	0	110.2	V500 I504 L509 L510 D512 I514 F519 L520 L542 V546	V500-I516 HydrophobicContact CG1-CD1 4.26Å; V500-I516 HydrophobicContact CG1-CG2 4.49Å; I504-I516 HydrophobicContact CD1-CD1 4.32Å; L509-I516 HydrophobicContact CD2-CG1 4.02Å; L509-I516 HydrophobicContact CD2-CG2 4.44Å; L509-I516 HydrophobicContact CG-CG1 4.19Å; L510-I516 WeakPolarHBondContact O-CG1 3.34Å; D512-I516 WeakPolarHBondContact O-CG1 3.12Å; D512-I516 PolarHBondContact O-N 2.81Å; I514-I516 PolarHBondContact O-N 3.28Å; I516-F519 WeakPolarHBondContact O-CB 3.16Å; I516-F519 PolarHBondContact O-N 3.06Å; I516-L520 HydrophobicContact CG2-CD1 4.24Å; I516-L520 HydrophobicContact CG2-CG 4.27Å; I516-L520 VanDerWaalsContact O-CG 3.29Å; I516-L520 WeakPolarHBondContact O-CG 3.03Å; I516-L520 PolarHBondContact O-N 3.25Å; I516-L542 HydrophobicContact CD1-CD1 4.05Å; I516-L542 HydrophobicContact CD1-CD2 3.97Å; I516-L542 HydrophobicContact CD1-CG 4.23Å; I516-V546 HydrophobicContact CB-CG1 4.11Å; I516-V546 HydrophobicContact CB-CG2 3.92Å; I516-V546 HydrophobicContact CD1-CG2 4.1Å; I516-V546 HydrophobicContact CG2-CG1 3.73Å; I516-V546 HydrophobicContact CG2-CG2 3.89Å
517	A	97.9	Very high	95.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-44	176.2	0	0	0	0	0	112.5	P513 I514 F519 L520 I521 V546 E549 F550 L553	P513-A517 VanDerWaalsContact O-CB 3.32Å; P513-A517 WeakPolarHBondContact O-CB 3.2Å; P513-A517 PolarHBondContact O-N 2.88Å; I514-A517 WeakPolarHBondContact O-CB 3.5Å; I514-A517 PolarHBondContact O-N 3.47Å; A517-F519 VanDerWaalsContact C-N 3.34Å; A517-F519 PolarHBondContact O-N 3.32Å; A517-L520 PolarHBondContact O-N 2.99Å; A517-I521 PolarHBondContact O-N 3.46Å; A517-I521 VanDerWaalsContact O-N 3.1Å; A517-V546 HydrophobicContact CB-CG1 4.16Å; A517-E549 HydrophobicContact CB-CB 3.78Å; A517-F550 HydrophobicContact CB-CB 3.97Å; A517-L553 HydrophobicContact CB-CD1 3.98Å
518	Q	97	Very high	95.3	Very high	48 Å²	48	39 Å²	39	22%	0.224	21%	0.207	C	C	.	.	H	α-helix	trans	-58.8	-43	173	-72.7	-178.8	-30.3	0	0	111.4	I514 I521 H522 L553	I514-Q518 WeakPolarHBondContact O-CG 3.37Å; I514-Q518 PolarHBondContact O-N 3.39Å; Q518-I521 WeakPolarHBondContact O-CG2 3.38Å; Q518-H522 WeakPolarHBondContact O-CB 3.45Å; Q518-H522 PolarHBondContact O-CD2 3.47Å; Q518-H522 PolarHBondContact O-N 3.12Å; Q518-L553 HydrophobicContact CG-CD1 3.94Å; Q518-L553 HydrophobicContact CG-CD2 4.49Å
519	F	96.6	Very high	95.3	Very high	18 Å²	18	41.9 Å²	41.9	8%	0.079	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-46.8	173.9	173.1	-105.6	0	0	0	112.6	L485 L503 L509 K515 I516 A517 I521 H522 E523 L526	L485-F519 HydrophobicContact CD1-CE2 3.91Å; L503-F519 HydrophobicContact CD1-CD1 4.47Å; L503-F519 HydrophobicContact CD1-CE1 3.52Å; L503-F519 HydrophobicContact CD1-CE2 4.28Å; L503-F519 HydrophobicContact CD1-CZ 3.41Å; L503-F519 VanDerWaalsContact CD1-CZ 3.41Å; L509-F519 HydrophobicContact CD1-CB 3.64Å; L509-F519 HydrophobicContact CD1-CG 4.03Å; L509-F519 HydrophobicContact CD2-CB 4.29Å; L509-F519 HydrophobicContact CD2-CD1 3.73Å; L509-F519 HydrophobicContact CD2-CE1 4.3Å; L509-F519 HydrophobicContact CD2-CG 4.04Å; K515-F519 WeakPolarHBondContact O-CB 3.39Å; K515-F519 PolarHBondContact O-N 2.96Å; I516-F519 WeakPolarHBondContact O-CB 3.16Å; I516-F519 PolarHBondContact O-N 3.06Å; A517-F519 VanDerWaalsContact C-N 3.34Å; A517-F519 PolarHBondContact O-N 3.32Å; F519-I521 VanDerWaalsContact C-N 3.27Å; F519-I521 PolarHBondContact O-N 2.99Å; F519-H522 PolarHBondContact O-N 3.04Å; F519-E523 HydrophobicContact CD2-CB 3.9Å; F519-E523 HydrophobicContact CD2-CG 4.35Å; F519-E523 HydrophobicContact CE2-CB 3.63Å; F519-E523 HydrophobicContact CE2-CG 3.58Å; F519-E523 HydrophobicContact CZ-CB 4.13Å; F519-E523 HydrophobicContact CZ-CG 3.88Å; F519-E523 VanDerWaalsContact O-CB 3.26Å; F519-E523 WeakPolarHBondContact O-CB 3.34Å; F519-E523 PolarHBondContact O-N 3.18Å; F519-L526 HydrophobicContact CD1-CD1 4.22Å; F519-L526 HydrophobicContact CE1-CD1 3.78Å; F519-L526 HydrophobicContact CE1-CD2 4.13Å; F519-L526 HydrophobicContact CE1-CG 4.48Å; F519-L526 HydrophobicContact CZ-CD1 4.17Å; F519-L526 HydrophobicContact CZ-CD2 4.01Å; F519-L526 HydrophobicContact CZ-CG 4.45Å
520	L	96.9	Very high	95.4	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-24.7	-178	-69.1	-177.1	0	0	0	114	F492 I516 A517 L526 I531 Y534 F535 V546 F550	F492-L520 HydrophobicContact CE1-CD2 4.26Å; F492-L520 HydrophobicContact CE2-CD2 3.64Å; F492-L520 HydrophobicContact CZ-CD2 3.45Å; F492-L520 VanDerWaalsContact CZ-CD2 3.45Å; I516-L520 HydrophobicContact CG2-CD1 4.24Å; I516-L520 HydrophobicContact CG2-CG 4.27Å; I516-L520 VanDerWaalsContact O-CG 3.29Å; I516-L520 WeakPolarHBondContact O-CG 3.03Å; I516-L520 PolarHBondContact O-N 3.25Å; A517-L520 PolarHBondContact O-N 2.99Å; L520-L526 HydrophobicContact CD2-CD1 3.63Å; L520-I531 HydrophobicContact CD2-CG1 4.49Å; L520-I531 WeakPolarHBondContact O-CD1 3.39Å; L520-Y534 HydrophobicContact CD1-CD1 3.81Å; L520-Y534 HydrophobicContact CD1-CE1 4.06Å; L520-F535 HydrophobicContact CD1-CE1 3.66Å; L520-F535 HydrophobicContact CD1-CZ 3.81Å; L520-V546 HydrophobicContact CD1-CG1 3.75Å; L520-F550 HydrophobicContact CB-CD2 3.98Å; L520-F550 HydrophobicContact CB-CE2 3.93Å
521	I	94.9	Very high	95.6	Very high	37 Å²	37	36 Å²	36	19%	0.19	19%	0.189	C	C	.	.	H	α-helix	trans	-91.3	-31.2	179.5	-159.6	170.1	0	0	0	113	A517 Q518 F519 F550 L553 I554	A517-I521 PolarHBondContact O-N 3.46Å; A517-I521 VanDerWaalsContact O-N 3.1Å; Q518-I521 WeakPolarHBondContact O-CG2 3.38Å; F519-I521 VanDerWaalsContact C-N 3.27Å; F519-I521 PolarHBondContact O-N 2.99Å; I521-F550 HydrophobicContact CB-CD2 4.09Å; I521-F550 HydrophobicContact CB-CE2 3.63Å; I521-F550 HydrophobicContact CB-CZ 4.36Å; I521-F550 HydrophobicContact CG1-CE2 4.08Å; I521-F550 HydrophobicContact CG1-CZ 4.32Å; I521-L553 HydrophobicContact CD1-CB 4.28Å; I521-L553 HydrophobicContact CG2-CD1 4.09Å; I521-I554 HydrophobicContact CD1-CG1 4.05Å
522	H	93.8	Very high	95.6	Very high	100 Å²	100	32.7 Å²	32.7	46%	0.463	17%	0.166	S	C	.	.	H	α-helix	trans	-98.7	-29.7	-174.7	-64	-55.4	0	0	0	115.3	W331 Q518 F519 P524	W331-H522 HydrophobicContact CH2-CB 3.91Å; W331-H522 WeakPolarHBondContact CH2-O 3.33Å; W331-H522 HydrophobicContact CZ2-CB 3.97Å; W331-H522 HydrophobicContact CZ3-CB 4.31Å; Q518-H522 WeakPolarHBondContact O-CB 3.45Å; Q518-H522 PolarHBondContact O-CD2 3.47Å; Q518-H522 PolarHBondContact O-N 3.12Å; F519-H522 PolarHBondContact O-N 3.04Å; H522-P524 WeakPolarHBondContact O-CD 3.19Å
523	E	94.5	Very high	95.6	Very high	16 Å²	16	32.7 Å²	32.7	8%	0.075	16%	0.164	C	C	.	.			trans	-70.6	111	-173.4	175.2	54.7	-119.9	0	0	112.5	F519 N525 L526	F519-E523 HydrophobicContact CD2-CB 3.9Å; F519-E523 HydrophobicContact CD2-CG 4.35Å; F519-E523 HydrophobicContact CE2-CB 3.63Å; F519-E523 HydrophobicContact CE2-CG 3.58Å; F519-E523 HydrophobicContact CZ-CB 4.13Å; F519-E523 HydrophobicContact CZ-CG 3.88Å; F519-E523 VanDerWaalsContact O-CB 3.26Å; F519-E523 WeakPolarHBondContact O-CB 3.34Å; F519-E523 PolarHBondContact O-N 3.18Å; E523-N525 HydrophobicContact CG-CB 4.38Å; E523-N525 PolarHBondContact O-N 3.5Å; E523-N525 WeakPolarHBondContact OE1-CB 3.34Å; E523-N525 PolarHBondContact OE1-N 3.33Å; E523-N525 PolarHBondContact OE1-ND2 2.89Å; E523-L526 HydrophobicContact CB-CD1 4.04Å; E523-L526 HydrophobicContact CB-CG 3.94Å; E523-L526 HydrophobicContact CG-CD1 4.31Å; E523-L526 HydrophobicContact CG-CD2 4.12Å; E523-L526 HydrophobicContact CG-CG 3.74Å; E523-L526 PolarHBondContact O-N 3.3Å
524	P	92.5	Very high	95.6	Very high	91 Å²	91	31.6 Å²	31.6	59%	0.591	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-15.2	-173.5	30	-37.7	0	0	0	113.9	H522 L526 P677	H522-P524 WeakPolarHBondContact O-CD 3.19Å; P524-L526 VanDerWaalsContact C-N 3.32Å; P524-P677 VanDerWaalsContact O-CG 3.29Å; P524-P677 WeakPolarHBondContact O-CG 3.19Å
525	N	93.5	Very high	95.6	Very high	29 Å²	29	28.6 Å²	28.6	16%	0.155	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.7	178.9	-71	-86.5	0	0	0	114.2	C489 N493 E523 R703	C489-N525 HydrophobicContact CB-CB 3.86Å; N493-N525 PolarHBondContact ND2-O 2.84Å; E523-N525 HydrophobicContact CG-CB 4.38Å; E523-N525 PolarHBondContact O-N 3.5Å; E523-N525 WeakPolarHBondContact OE1-CB 3.34Å; E523-N525 PolarHBondContact OE1-N 3.33Å; E523-N525 PolarHBondContact OE1-ND2 2.89Å; N525-R703 WeakPolarHBondContact OD1-CD 3.31Å; N525-R703 PolarHBondContact OD1-NE 2.98Å; N525-R703 PolarHBondContact OD1-NH1 3Å
526	L	96	Very high	95.4	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.037	13%	0.134	C	C	.	.	S	Bend	trans	-81.9	142.2	-177.7	-56.9	-175.1	0	0	0	112.6	C489 F492 F519 L520 E523 P524 I531 P677	C489-L526 HydrophobicContact CB-CD2 4.09Å; F492-L526 HydrophobicContact CB-CD2 4.3Å; F492-L526 HydrophobicContact CD1-CD2 3.77Å; F492-L526 HydrophobicContact CE1-CB 4.5Å; F492-L526 HydrophobicContact CE1-CD1 4.4Å; F492-L526 HydrophobicContact CE1-CD2 4.33Å; F492-L526 HydrophobicContact CG-CD2 4.11Å; F519-L526 HydrophobicContact CD1-CD1 4.22Å; F519-L526 HydrophobicContact CE1-CD1 3.78Å; F519-L526 HydrophobicContact CE1-CD2 4.13Å; F519-L526 HydrophobicContact CE1-CG 4.48Å; F519-L526 HydrophobicContact CZ-CD1 4.17Å; F519-L526 HydrophobicContact CZ-CD2 4.01Å; F519-L526 HydrophobicContact CZ-CG 4.45Å; L520-L526 HydrophobicContact CD2-CD1 3.63Å; E523-L526 HydrophobicContact CB-CD1 4.04Å; E523-L526 HydrophobicContact CB-CG 3.94Å; E523-L526 HydrophobicContact CG-CD1 4.31Å; E523-L526 HydrophobicContact CG-CD2 4.12Å; E523-L526 HydrophobicContact CG-CG 3.74Å; E523-L526 PolarHBondContact O-N 3.3Å; P524-L526 VanDerWaalsContact C-N 3.32Å; L526-I531 HydrophobicContact CB-CD1 4.04Å; L526-I531 HydrophobicContact CB-CG1 4.3Å; L526-I531 HydrophobicContact CD1-CD1 4.48Å; L526-P677 WeakPolarHBondContact O-CD 3.42Å
527	N	95.2	Very high	95.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.145	C	C	.	.			trans	-87.1	128.9	176.2	-168.1	-94.2	0	0	0	111.2	N493 Q529 A530 I531 D676 S678 R700	N493-N527 HydrophobicContact CB-CB 4.42Å; N493-N527 WeakPolarHBondContact OD1-CB 3.37Å; N493-N527 PolarHBondContact OD1-N 3.19Å; N527-Q529 PolarHBondContact O-N 2.85Å; N527-Q529 VanDerWaalsContact O-N 3.14Å; N527-Q529 WeakPolarHBondContact OD1-CB 3.17Å; N527-Q529 PolarHBondContact OD1-N 3.28Å; N527-Q529 VanDerWaalsContact OD1-N 3.15Å; N527-A530 HydrophobicContact CB-CB 4.1Å; N527-A530 WeakPolarHBondContact O-CA 3.46Å; N527-A530 WeakPolarHBondContact O-CB 3.4Å; N527-A530 PolarHBondContact O-N 2.9Å; N527-I531 PolarHBondContact O-N 2.94Å; N527-D676 WeakPolarHBondContact CA-OD1 3.48Å; N527-D676 VanDerWaalsContact ND2-CG 3.27Å; N527-D676 PolarHBondContact ND2-OD1 3.25Å; N527-D676 PolarHBondContact ND2-OD2 3.32Å; N527-S678 PolarHBondContact ND2-OG 3.1Å; N527-R700 HydrophobicContact CB-CB 4.14Å; N527-R700 WeakPolarHBondContact OD1-CD 3.2Å
528	R	94	Very high	95	Very high	50 Å²	50	32 Å²	32	19%	0.189	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-22.4	-175.4	-65.6	-169.6	-167.3	-74.6	-6.6	113.8	G532 H571 H573 L674 P675 D676	R528-G532 PolarHBondContact O-N 2.83Å; R528-H571 WeakPolarHBondContact CD-O 3.47Å; R528-H571 PolarHBondContact NH1-O 3.33Å; R528-H573 PolarHBondContact O-N 3.48Å; R528-L674 WeakPolarHBondContact CD-O 3.44Å; R528-L674 PolarHBondContact NE-O 3.19Å; R528-P675 VanDerWaalsContact CZ-O 3.28Å; R528-P675 PolarHBondContact NE-O 2.88Å; R528-P675 PolarHBondContact NH2-O 3.3Å; R528-D676 HydrophobicContact CG-CB 4.38Å; R528-D676 PolarHBondContact N-OD1 2.9Å
529	Q	93.5	Very high	94.8	Very high	78 Å²	78	36.3 Å²	36.3	36%	0.364	19%	0.186	S	C	.	.	H	α-helix	trans	-77.8	-34.8	169.4	-171.8	-169.2	-28.9	0	0	112.1	N527 I531 G532 E533	N527-Q529 PolarHBondContact O-N 2.85Å; N527-Q529 VanDerWaalsContact O-N 3.14Å; N527-Q529 WeakPolarHBondContact OD1-CB 3.17Å; N527-Q529 PolarHBondContact OD1-N 3.28Å; N527-Q529 VanDerWaalsContact OD1-N 3.15Å; Q529-I531 VanDerWaalsContact C-N 3.35Å; Q529-G532 PolarHBondContact O-N 2.85Å; Q529-E533 PolarHBondContact NE2-OE1 3.04Å; Q529-E533 WeakPolarHBondContact O-CB 3.2Å; Q529-E533 PolarHBondContact O-N 2.82Å
530	A	96.1	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-38.9	175.8	0	0	0	0	0	111.2	F492 P496 N527 E533 Y534	F492-A530 HydrophobicContact CD1-CB 3.81Å; F492-A530 HydrophobicContact CE1-CB 3.63Å; P496-A530 HydrophobicContact CG-CB 4.18Å; P496-A530 WeakPolarHBondContact CG-O 3.43Å; N527-A530 HydrophobicContact CB-CB 4.1Å; N527-A530 WeakPolarHBondContact O-CA 3.46Å; N527-A530 WeakPolarHBondContact O-CB 3.4Å; N527-A530 PolarHBondContact O-N 2.9Å; A530-E533 PolarHBondContact O-N 3.35Å; A530-Y534 PolarHBondContact O-N 2.91Å
531	I	96.8	Very high	94.5	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-50.2	171.7	-60.6	171	0	0	0	110.8	F492 L520 L526 N527 Q529 E533 Y534 F535 F572	F492-I531 HydrophobicContact CE1-CG1 3.89Å; F492-I531 HydrophobicContact CZ-CG1 4.16Å; L520-I531 HydrophobicContact CD2-CG1 4.49Å; L520-I531 WeakPolarHBondContact O-CD1 3.39Å; L526-I531 HydrophobicContact CB-CD1 4.04Å; L526-I531 HydrophobicContact CB-CG1 4.3Å; L526-I531 HydrophobicContact CD1-CD1 4.48Å; N527-I531 PolarHBondContact O-N 2.94Å; Q529-I531 VanDerWaalsContact C-N 3.35Å; I531-E533 VanDerWaalsContact C-N 3.26Å; I531-E533 PolarHBondContact O-N 3.24Å; I531-Y534 WeakPolarHBondContact O-CB 3.21Å; I531-Y534 PolarHBondContact O-N 2.79Å; I531-Y534 VanDerWaalsContact O-N 3.12Å; I531-F535 HydrophobicContact CG2-CD2 3.91Å; I531-F535 HydrophobicContact CG2-CE2 3.33Å; I531-F535 HydrophobicContact CG2-CZ 3.75Å; I531-F535 PolarHBondContact O-N 2.84Å; I531-F572 HydrophobicContact CB-CB 3.99Å; I531-F572 HydrophobicContact CG2-CB 3.64Å; I531-F572 HydrophobicContact CG2-CG 4.24Å
532	G	94.8	Very high	94.5	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-69.6	-17.1	178.1	0	0	0	0	0	115.5	R528 Q529 G536 H573	R528-G532 PolarHBondContact O-N 2.83Å; Q529-G532 PolarHBondContact O-N 2.85Å; G532-G536 PolarHBondContact O-N 2.85Å; G532-H573 WeakPolarHBondContact CA-O 3.4Å
533	E	95.3	Very high	94.6	Very high	60 Å²	60	38 Å²	38	28%	0.28	20%	0.204	S	C	.	.	H	α-helix	trans	-80.1	-35.7	167.5	-84.4	169.8	-154.5	0	0	112.2	P496 Q529 A530 I531 G536 R700	P496-E533 HydrophobicContact CG-CB 4.27Å; Q529-E533 PolarHBondContact NE2-OE1 3.04Å; Q529-E533 WeakPolarHBondContact O-CB 3.2Å; Q529-E533 PolarHBondContact O-N 2.82Å; A530-E533 PolarHBondContact O-N 3.35Å; I531-E533 VanDerWaalsContact C-N 3.26Å; I531-E533 PolarHBondContact O-N 3.24Å; E533-G536 WeakPolarHBondContact O-CA 3.26Å; E533-G536 PolarHBondContact O-N 3.04Å; E533-G536 VanDerWaalsContact O-N 3.1Å; E533-R700 IonicContact OE1-CZ 3.68Å; E533-R700 IonicContact OE1-NH1 2.75Å; E533-R700 PolarHBondContact OE1-NH1 3.31Å; E533-R700 IonicContact OE2-CZ 3.81Å; E533-R700 VanDerWaalsContact OE2-CZ 3.23Å; E533-R700 IonicContact OE2-NH1 2.8Å; E533-R700 PolarHBondContact OE2-NH1 3.29Å; E533-R700 IonicContact OE2-NH2 3.7Å; E533-R700 PolarHBondContact OE2-NH2 3.05Å
534	Y	97.1	Very high	94.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-48.9	172.3	-172.9	-106.8	0	0	0	111.7	F492 P496 V500 L520 A530 I531 G536 L537 A543 V546	F492-Y534 HydrophobicContact CE2-CD2 4.48Å; F492-Y534 HydrophobicContact CE2-CG 4.41Å; P496-Y534 HydrophobicContact CB-CD2 3.88Å; P496-Y534 HydrophobicContact CB-CG 4.25Å; V500-Y534 HydrophobicContact CB-CE2 4.37Å; V500-Y534 HydrophobicContact CG2-CD2 4.35Å; V500-Y534 HydrophobicContact CG2-CE2 3.84Å; L520-Y534 HydrophobicContact CD1-CD1 3.81Å; L520-Y534 HydrophobicContact CD1-CE1 4.06Å; A530-Y534 PolarHBondContact O-N 2.91Å; I531-Y534 WeakPolarHBondContact O-CB 3.21Å; I531-Y534 PolarHBondContact O-N 2.79Å; I531-Y534 VanDerWaalsContact O-N 3.12Å; Y534-G536 PolarHBondContact O-N 2.99Å; Y534-G536 VanDerWaalsContact O-N 3.11Å; Y534-L537 HydrophobicContact CD2-CD1 3.86Å; Y534-L537 HydrophobicContact CE2-CD1 4.35Å; Y534-L537 WeakPolarHBondContact O-CB 3Å; Y534-L537 WeakPolarHBondContact O-CD1 3.44Å; Y534-L537 VanDerWaalsContact O-CG 3.27Å; Y534-L537 WeakPolarHBondContact O-CG 3.37Å; Y534-L537 PolarHBondContact O-N 3.12Å; Y534-L537 VanDerWaalsContact O-N 3.12Å; Y534-A543 HydrophobicContact CD1-CB 4.18Å; Y534-A543 HydrophobicContact CD2-CB 4.46Å; Y534-A543 HydrophobicContact CE1-CB 3.77Å; Y534-A543 HydrophobicContact CE2-CB 4.09Å; Y534-V546 HydrophobicContact CE1-CB 4.01Å; Y534-V546 HydrophobicContact CE1-CG1 3.99Å; Y534-V546 HydrophobicContact CE1-CG2 4.19Å
535	F	96.3	Very high	94.9	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.044	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.5	173.4	-59.2	-28.8	0	0	0	113.8	L520 I531 V546 L547 F550 F572	L520-F535 HydrophobicContact CD1-CE1 3.66Å; L520-F535 HydrophobicContact CD1-CZ 3.81Å; I531-F535 HydrophobicContact CG2-CD2 3.91Å; I531-F535 HydrophobicContact CG2-CE2 3.33Å; I531-F535 HydrophobicContact CG2-CZ 3.75Å; I531-F535 PolarHBondContact O-N 2.84Å; F535-V546 HydrophobicContact CE1-CG1 4.11Å; F535-L547 HydrophobicContact CB-CD1 4.05Å; F535-L547 HydrophobicContact CB-CD2 4.33Å; F535-L547 HydrophobicContact CD1-CB 3.81Å; F535-L547 HydrophobicContact CD1-CD1 4.11Å; F535-L547 HydrophobicContact CD1-CG 4.49Å; F535-L547 HydrophobicContact CD2-CD1 3.85Å; F535-L547 HydrophobicContact CE1-CB 4.3Å; F535-L547 HydrophobicContact CE2-CD1 4.3Å; F535-L547 HydrophobicContact CG-CB 4.23Å; F535-L547 HydrophobicContact CG-CD1 3.75Å; F535-L547 HydrophobicContact CG-CG 4.44Å; F535-F550 HydrophobicContact CE1-CB 4.38Å; F535-F550 HydrophobicContact CE1-CG 4.43Å; F535-F550 AromaticContact CE2-CD1 3.67Å; F535-F550 HydrophobicContact CE2-CD1 3.67Å; F535-F550 HydrophobicContact CE2-CD2 4.26Å; F535-F550 AromaticContact CE2-CE1 3.76Å; F535-F550 HydrophobicContact CE2-CE1 3.76Å; F535-F550 HydrophobicContact CE2-CE2 4.29Å; F535-F550 AromaticContact CE2-CG 3.94Å; F535-F550 HydrophobicContact CE2-CG 3.94Å; F535-F550 HydrophobicContact CE2-CZ 4.06Å; F535-F550 HydrophobicContact CZ-CB 3.84Å; F535-F550 AromaticContact CZ-CD1 3.71Å; F535-F550 HydrophobicContact CZ-CD1 3.71Å; F535-F550 AromaticContact CZ-CD2 3.65Å; F535-F550 HydrophobicContact CZ-CD2 3.65Å; F535-F550 HydrophobicContact CZ-CE1 4.12Å; F535-F550 HydrophobicContact CZ-CE2 4.02Å; F535-F550 AromaticContact CZ-CG 3.46Å; F535-F550 HydrophobicContact CZ-CG 3.46Å; F535-F550 VanDerWaalsContact CZ-CG 3.46Å; F535-F550 HydrophobicContact CZ-CZ 4.25Å; F535-F572 HydrophobicContact CD2-CD1 4.01Å; F535-F572 AromaticContact CD2-CD2 4Å; F535-F572 HydrophobicContact CD2-CD2 4Å; F535-F572 AromaticContact CD2-CE1 3.97Å; F535-F572 HydrophobicContact CD2-CE1 3.97Å; F535-F572 AromaticContact CD2-CE2 3.95Å; F535-F572 HydrophobicContact CD2-CE2 3.95Å; F535-F572 HydrophobicContact CD2-CG 4.02Å; F535-F572 AromaticContact CD2-CZ 3.93Å; F535-F572 HydrophobicContact CD2-CZ 3.93Å; F535-F572 AromaticContact CE2-CD1 3.83Å; F535-F572 HydrophobicContact CE2-CD1 3.83Å; F535-F572 HydrophobicContact CE2-CE1 4.02Å; F535-F572 HydrophobicContact CE2-CG 4.11Å; F535-F572 HydrophobicContact CE2-CZ 4.45Å
536	G	93.2	Very high	95.1	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-2.7	173.1	0	0	0	0	0	114.9	G532 E533 Y534 L538 K580	G532-G536 PolarHBondContact O-N 2.85Å; E533-G536 WeakPolarHBondContact O-CA 3.26Å; E533-G536 PolarHBondContact O-N 3.04Å; E533-G536 VanDerWaalsContact O-N 3.1Å; Y534-G536 PolarHBondContact O-N 2.99Å; Y534-G536 VanDerWaalsContact O-N 3.11Å; G536-L538 PolarHBondContact O-N 3.03Å; G536-L538 VanDerWaalsContact O-N 3.12Å; G536-K580 WeakPolarHBondContact O-CD 3.45Å; G536-K580 WeakPolarHBondContact O-CE 3.29Å
537	L	94.4	Very high	95.2	Very high	42 Å²	42	39.5 Å²	39.5	22%	0.22	20%	0.2	C	C	.	.			trans	-85.9	77	-175.4	-59.9	169.2	0	0	0	111.3	V497 Y534 D539 N540 A543	V497-L537 HydrophobicContact CG2-CD1 3.29Å; V497-L537 HydrophobicContact CG2-CD2 4.43Å; V497-L537 HydrophobicContact CG2-CG 4.5Å; Y534-L537 HydrophobicContact CD2-CD1 3.86Å; Y534-L537 HydrophobicContact CE2-CD1 4.35Å; Y534-L537 WeakPolarHBondContact O-CB 3Å; Y534-L537 WeakPolarHBondContact O-CD1 3.44Å; Y534-L537 VanDerWaalsContact O-CG 3.27Å; Y534-L537 WeakPolarHBondContact O-CG 3.37Å; Y534-L537 PolarHBondContact O-N 3.12Å; Y534-L537 VanDerWaalsContact O-N 3.12Å; L537-D539 PolarHBondContact O-N 2.67Å; L537-N540 HydrophobicContact CB-CB 3.71Å; L537-N540 PolarHBondContact O-N 3.23Å; L537-A543 HydrophobicContact CB-CB 4.14Å; L537-A543 HydrophobicContact CD1-CB 4.38Å
538	L	92.4	Very high	95.3	Very high	65 Å²	65	42.3 Å²	42.3	34%	0.34	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.7	-175.1	-52.1	-175.4	0	0	0	113.9	G536 M544 Q579 K580 N583	G536-L538 PolarHBondContact O-N 3.03Å; G536-L538 VanDerWaalsContact O-N 3.12Å; L538-M544 HydrophobicContact CD2-SD 4.43Å; L538-Q579 HydrophobicContact CD1-CB 4.17Å; L538-Q579 HydrophobicContact CD1-CG 3.52Å; L538-K580 HydrophobicContact CD1-CG 4.18Å; L538-K580 HydrophobicContact CD2-CG 4.48Å; L538-K580 HydrophobicContact CG-CG 4.25Å; L538-N583 HydrophobicContact CD2-CB 3.56Å; L538-N583 VanDerWaalsContact CD2-CG 3.45Å; L538-N583 WeakPolarHBondContact CD2-ND2 3.43Å
539	D	93	Very high	95.5	Very high	139 Å²	139	42.7 Å²	42.7	74%	0.743	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.9	174.9	58.8	-38.8	0	0	0	113.2	L537	L537-D539 PolarHBondContact O-N 2.67Å
540	N	93.2	Very high	95.7	Very high	43 Å²	43	39 Å²	39	23%	0.23	20%	0.199	C	C	.	.			trans	-97.5	103.2	-175.3	-171.9	-37.8	0	0	0	111.3	L537 L542 A543 M544	L537-N540 HydrophobicContact CB-CB 3.71Å; L537-N540 PolarHBondContact O-N 3.23Å; N540-L542 PolarHBondContact O-N 2.82Å; N540-L542 WeakPolarHBondContact OD1-CB 3.47Å; N540-L542 PolarHBondContact OD1-N 2.69Å; N540-A543 HydrophobicContact CB-CB 3.91Å; N540-A543 PolarHBondContact O-N 2.9Å; N540-A543 PolarHBondContact OD1-N 3.29Å; N540-M544 PolarHBondContact O-N 2.89Å
541	T	94.4	Very high	95.8	Very high	115 Å²	115	39 Å²	39	71%	0.706	20%	0.199	S	C	*	.	H	α-helix	trans	-61.5	-27.6	-179	56.5	0	0	0	0	114	K545	T541-K545 WeakPolarHBondContact O-CG 3.39Å; T541-K545 PolarHBondContact O-N 2.75Å
542	L	95.7	Very high	95.8	Very high	38 Å²	38	41.6 Å²	41.6	20%	0.199	21%	0.213	C	C	.	.	H	α-helix	trans	-72.1	-51.8	173	178.5	59.4	0	0	0	110.2	P513 I516 N540 M544 K545 V546	P513-L542 HydrophobicContact CG-CD1 3.9Å; I516-L542 HydrophobicContact CD1-CD1 4.05Å; I516-L542 HydrophobicContact CD1-CD2 3.97Å; I516-L542 HydrophobicContact CD1-CG 4.23Å; N540-L542 PolarHBondContact O-N 2.82Å; N540-L542 WeakPolarHBondContact OD1-CB 3.47Å; N540-L542 PolarHBondContact OD1-N 2.69Å; L542-M544 PolarHBondContact O-N 2.63Å; L542-K545 PolarHBondContact O-N 2.81Å; L542-V546 HydrophobicContact CD1-CG2 4.14Å; L542-V546 HydrophobicContact CG-CG2 4.26Å; L542-V546 VanDerWaalsContact O-CG2 3.26Å; L542-V546 WeakPolarHBondContact O-CG2 3.22Å; L542-V546 PolarHBondContact O-N 3.44Å
543	A	95.9	Very high	95.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-36.1	179.8	0	0	0	0	0	112.6	Y534 L537 N540 V546 L547	Y534-A543 HydrophobicContact CD1-CB 4.18Å; Y534-A543 HydrophobicContact CD2-CB 4.46Å; Y534-A543 HydrophobicContact CE1-CB 3.77Å; Y534-A543 HydrophobicContact CE2-CB 4.09Å; L537-A543 HydrophobicContact CB-CB 4.14Å; L537-A543 HydrophobicContact CD1-CB 4.38Å; N540-A543 HydrophobicContact CB-CB 3.91Å; N540-A543 PolarHBondContact O-N 2.9Å; N540-A543 PolarHBondContact OD1-N 3.29Å; A543-V546 PolarHBondContact O-N 2.88Å; A543-L547 PolarHBondContact O-N 3.12Å
544	M	95.4	Very high	96	Very high	42 Å²	42	42.4 Å²	42.4	21%	0.207	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-39.4	173.3	-78.4	-59.4	-54.1	0	0	113.6	L538 N540 L542 K548 N583 I587	L538-M544 HydrophobicContact CD2-SD 4.43Å; N540-M544 PolarHBondContact O-N 2.89Å; L542-M544 PolarHBondContact O-N 2.63Å; M544-K548 PolarHBondContact O-N 3.18Å; M544-N583 WeakPolarHBondContact CE-ND2 3.42Å; M544-N583 WeakPolarHBondContact CE-OD1 3.36Å; M544-N583 PolarHBondContact SD-ND2 3.32Å; M544-I587 HydrophobicContact CE-CD1 3.95Å; M544-I587 HydrophobicContact CE-CG1 4Å
545	K	96.9	Very high	95.9	Very high	131 Å²	131	47.4 Å²	47.4	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-68	-47	172.4	-72.2	-179.9	176.7	-171.2	0	111.2	P513 T541 L542 L547 K548 E549	P513-K545 HydrophobicContact CB-CB 3.9Å; P513-K545 HydrophobicContact CG-CB 3.85Å; P513-K545 HydrophobicContact CG-CD 4.11Å; T541-K545 WeakPolarHBondContact O-CG 3.39Å; T541-K545 PolarHBondContact O-N 2.75Å; L542-K545 PolarHBondContact O-N 2.81Å; K545-L547 VanDerWaalsContact C-N 3.26Å; K545-L547 PolarHBondContact O-N 3.1Å; K545-K548 WeakPolarHBondContact O-CB 3.33Å; K545-K548 PolarHBondContact O-N 2.99Å; K545-E549 PolarHBondContact O-N 3.14Å
546	V	98	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-40.1	178.8	-179.1	0	0	0	0	111.2	P513 I516 A517 L520 Y534 F535 L542 A543 K548 E549 F550	P513-V546 HydrophobicContact CB-CG2 4.22Å; I516-V546 HydrophobicContact CB-CG1 4.11Å; I516-V546 HydrophobicContact CB-CG2 3.92Å; I516-V546 HydrophobicContact CD1-CG2 4.1Å; I516-V546 HydrophobicContact CG2-CG1 3.73Å; I516-V546 HydrophobicContact CG2-CG2 3.89Å; A517-V546 HydrophobicContact CB-CG1 4.16Å; L520-V546 HydrophobicContact CD1-CG1 3.75Å; Y534-V546 HydrophobicContact CE1-CB 4.01Å; Y534-V546 HydrophobicContact CE1-CG1 3.99Å; Y534-V546 HydrophobicContact CE1-CG2 4.19Å; F535-V546 HydrophobicContact CE1-CG1 4.11Å; L542-V546 HydrophobicContact CD1-CG2 4.14Å; L542-V546 HydrophobicContact CG-CG2 4.26Å; L542-V546 VanDerWaalsContact O-CG2 3.26Å; L542-V546 WeakPolarHBondContact O-CG2 3.22Å; L542-V546 PolarHBondContact O-N 3.44Å; A543-V546 PolarHBondContact O-N 2.88Å; V546-K548 VanDerWaalsContact C-N 3.33Å; V546-K548 PolarHBondContact O-N 3.04Å; V546-E549 PolarHBondContact O-N 3.01Å; V546-F550 WeakPolarHBondContact O-CB 3.42Å; V546-F550 PolarHBondContact O-N 3.2Å
547	L	97.6	Very high	96	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-42.5	174.5	172.7	59.3	0	0	0	112	F535 A543 K545 F550 L551 L584 I587	F535-L547 HydrophobicContact CB-CD1 4.05Å; F535-L547 HydrophobicContact CB-CD2 4.33Å; F535-L547 HydrophobicContact CD1-CB 3.81Å; F535-L547 HydrophobicContact CD1-CD1 4.11Å; F535-L547 HydrophobicContact CD1-CG 4.49Å; F535-L547 HydrophobicContact CD2-CD1 3.85Å; F535-L547 HydrophobicContact CE1-CB 4.3Å; F535-L547 HydrophobicContact CE2-CD1 4.3Å; F535-L547 HydrophobicContact CG-CB 4.23Å; F535-L547 HydrophobicContact CG-CD1 3.75Å; F535-L547 HydrophobicContact CG-CG 4.44Å; A543-L547 PolarHBondContact O-N 3.12Å; K545-L547 VanDerWaalsContact C-N 3.26Å; K545-L547 PolarHBondContact O-N 3.1Å; L547-F550 PolarHBondContact O-N 3.12Å; L547-L551 HydrophobicContact CD1-CD1 4.39Å; L547-L551 HydrophobicContact CD1-CD2 4.42Å; L547-L551 HydrophobicContact CD1-CG 4.11Å; L547-L551 WeakPolarHBondContact O-CG 3.49Å; L547-L551 PolarHBondContact O-N 2.97Å; L547-L584 HydrophobicContact CD1-CD1 3.87Å; L547-L584 HydrophobicContact CD2-CD1 4.29Å; L547-I587 HydrophobicContact CD2-CB 4.26Å; L547-I587 HydrophobicContact CD2-CG1 4.14Å; L547-I587 HydrophobicContact CD2-CG2 4.49Å; L547-I587 HydrophobicContact CG-CB 4.44Å; L547-I587 HydrophobicContact CG-CG2 4.16Å
548	K	97.5	Very high	96	Very high	64 Å²	64	58.2 Å²	58.2	28%	0.278	30%	0.296	S	S	.	.	H	α-helix	trans	-66.7	-46.3	179.7	-172	163.5	-178.5	163.9	0	111.8	M544 K545 V546 F550 L551 L552 I587 E590 V591	M544-K548 PolarHBondContact O-N 3.18Å; K545-K548 WeakPolarHBondContact O-CB 3.33Å; K545-K548 PolarHBondContact O-N 2.99Å; V546-K548 VanDerWaalsContact C-N 3.33Å; V546-K548 PolarHBondContact O-N 3.04Å; K548-F550 VanDerWaalsContact C-N 3.34Å; K548-F550 PolarHBondContact O-N 3.06Å; K548-L551 PolarHBondContact O-N 3.39Å; K548-L552 HydrophobicContact CG-CD1 4.33Å; K548-L552 WeakPolarHBondContact O-CG 3.33Å; K548-L552 PolarHBondContact O-N 3.41Å; K548-I587 HydrophobicContact CB-CG2 3.89Å; K548-I587 HydrophobicContact CG-CG2 4.17Å; K548-E590 IonicContact NZ-OE2 2.68Å; K548-E590 PolarHBondContact NZ-OE2 3.35Å; K548-V591 HydrophobicContact CG-CG2 4.05Å
549	E	97.8	Very high	96.2	Very high	57 Å²	57	57.4 Å²	57.4	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-40.5	174.8	-56	-45.6	137.9	0	0	111.8	P513 I514 A517 K545 V546 L551 L552 L553	P513-E549 HydrophobicContact CB-CG 3.98Å; I514-E549 HydrophobicContact CG1-CB 4.46Å; I514-E549 HydrophobicContact CG1-CG 3.89Å; A517-E549 HydrophobicContact CB-CB 3.78Å; K545-E549 PolarHBondContact O-N 3.14Å; V546-E549 PolarHBondContact O-N 3.01Å; E549-L551 PolarHBondContact O-N 3.32Å; E549-L552 WeakPolarHBondContact O-CB 3.35Å; E549-L552 PolarHBondContact O-N 3.02Å; E549-L552 VanDerWaalsContact O-N 3.1Å; E549-L553 WeakPolarHBondContact O-CG 3.45Å; E549-L553 PolarHBondContact O-N 3.48Å
550	F	98.1	Very high	96.4	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-38.2	177.9	-177.8	-84.9	0	0	0	112.7	A517 L520 I521 F535 V546 L547 K548 I554 H571 F572	A517-F550 HydrophobicContact CB-CB 3.97Å; L520-F550 HydrophobicContact CB-CD2 3.98Å; L520-F550 HydrophobicContact CB-CE2 3.93Å; I521-F550 HydrophobicContact CB-CD2 4.09Å; I521-F550 HydrophobicContact CB-CE2 3.63Å; I521-F550 HydrophobicContact CB-CZ 4.36Å; I521-F550 HydrophobicContact CG1-CE2 4.08Å; I521-F550 HydrophobicContact CG1-CZ 4.32Å; F535-F550 HydrophobicContact CE1-CB 4.38Å; F535-F550 HydrophobicContact CE1-CG 4.43Å; F535-F550 AromaticContact CE2-CD1 3.67Å; F535-F550 HydrophobicContact CE2-CD1 3.67Å; F535-F550 HydrophobicContact CE2-CD2 4.26Å; F535-F550 AromaticContact CE2-CE1 3.76Å; F535-F550 HydrophobicContact CE2-CE1 3.76Å; F535-F550 HydrophobicContact CE2-CE2 4.29Å; F535-F550 AromaticContact CE2-CG 3.94Å; F535-F550 HydrophobicContact CE2-CG 3.94Å; F535-F550 HydrophobicContact CE2-CZ 4.06Å; F535-F550 HydrophobicContact CZ-CB 3.84Å; F535-F550 AromaticContact CZ-CD1 3.71Å; F535-F550 HydrophobicContact CZ-CD1 3.71Å; F535-F550 AromaticContact CZ-CD2 3.65Å; F535-F550 HydrophobicContact CZ-CD2 3.65Å; F535-F550 HydrophobicContact CZ-CE1 4.12Å; F535-F550 HydrophobicContact CZ-CE2 4.02Å; F535-F550 AromaticContact CZ-CG 3.46Å; F535-F550 HydrophobicContact CZ-CG 3.46Å; F535-F550 VanDerWaalsContact CZ-CG 3.46Å; F535-F550 HydrophobicContact CZ-CZ 4.25Å; V546-F550 WeakPolarHBondContact O-CB 3.42Å; V546-F550 PolarHBondContact O-N 3.2Å; L547-F550 PolarHBondContact O-N 3.12Å; K548-F550 VanDerWaalsContact C-N 3.34Å; K548-F550 PolarHBondContact O-N 3.06Å; F550-I554 HydrophobicContact CD1-CD1 4.26Å; F550-I554 HydrophobicContact CE1-CD1 3.93Å; F550-H571 HydrophobicContact CE1-CB 4.03Å; F550-H571 HydrophobicContact CZ-CB 3.87Å; F550-F572 AromaticContact CE1-CD1 3.69Å; F550-F572 HydrophobicContact CE1-CD1 3.69Å; F550-F572 AromaticContact CE1-CE1 4Å; F550-F572 HydrophobicContact CE1-CE1 4Å; F550-F572 HydrophobicContact CZ-CD1 4.24Å
551	L	97.7	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.1	-30	172.8	-64.2	-166.9	0	0	0	112.5	L547 K548 E549 L553 I554 V568 F572 L584 I587 F588 V591	L547-L551 HydrophobicContact CD1-CD1 4.39Å; L547-L551 HydrophobicContact CD1-CD2 4.42Å; L547-L551 HydrophobicContact CD1-CG 4.11Å; L547-L551 WeakPolarHBondContact O-CG 3.49Å; L547-L551 PolarHBondContact O-N 2.97Å; K548-L551 PolarHBondContact O-N 3.39Å; E549-L551 PolarHBondContact O-N 3.32Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-I554 HydrophobicContact CD2-CD1 4.25Å; L551-I554 PolarHBondContact O-N 2.92Å; L551-V568 HydrophobicContact CD2-CB 4.31Å; L551-V568 HydrophobicContact CD2-CG1 3.45Å; L551-V568 VanDerWaalsContact CD2-CG1 3.45Å; L551-V568 HydrophobicContact CD2-CG2 3.9Å; L551-F572 HydrophobicContact CD2-CE1 4.46Å; L551-L584 HydrophobicContact CD1-CD1 4.32Å; L551-I587 HydrophobicContact CD1-CG2 4.17Å; L551-F588 HydrophobicContact CD1-CB 4.14Å; L551-V591 HydrophobicContact CB-CB 4.23Å; L551-V591 HydrophobicContact CB-CG1 4.12Å; L551-V591 HydrophobicContact CB-CG2 4.11Å
552	L	97.4	Very high	96.7	Very high	59 Å²	59	45.1 Å²	45.1	31%	0.309	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-32.4	175.3	-78.3	161.7	0	0	0	112.6	K548 E549 I554 V591 I594 Q595	K548-L552 HydrophobicContact CG-CD1 4.33Å; K548-L552 WeakPolarHBondContact O-CG 3.33Å; K548-L552 PolarHBondContact O-N 3.41Å; E549-L552 WeakPolarHBondContact O-CB 3.35Å; E549-L552 PolarHBondContact O-N 3.02Å; E549-L552 VanDerWaalsContact O-N 3.1Å; L552-I554 VanDerWaalsContact C-N 3.26Å; L552-I554 PolarHBondContact O-N 2.87Å; L552-V591 HydrophobicContact CD2-CG1 3.81Å; L552-V591 HydrophobicContact CD2-CG2 4.42Å; L552-V591 HydrophobicContact CG-CG1 3.95Å; L552-V591 HydrophobicContact CG-CG2 4.09Å; L552-I594 HydrophobicContact CD2-CG2 4.37Å; L552-Q595 PolarHBondContact O-NE2 3.17Å
553	L	96.7	Very high	96.8	Very high	75 Å²	75	45.6 Å²	45.6	39%	0.393	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.5	173.1	-65.9	174.2	0	0	0	113.4	A517 Q518 I521 E549 L551	A517-L553 HydrophobicContact CB-CD1 3.98Å; Q518-L553 HydrophobicContact CG-CD1 3.94Å; Q518-L553 HydrophobicContact CG-CD2 4.49Å; I521-L553 HydrophobicContact CD1-CB 4.28Å; I521-L553 HydrophobicContact CG2-CD1 4.09Å; E549-L553 WeakPolarHBondContact O-CG 3.45Å; E549-L553 PolarHBondContact O-N 3.48Å; L551-L553 VanDerWaalsContact C-N 3.33Å
554	I	96.7	Very high	96.9	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.224	C	C	.	.	S	Bend	trans	-83.9	118.8	177.6	-62.4	173.7	0	0	0	108.7	I521 F550 L551 L552 M556 S567 V568 H571 Q595	I521-I554 HydrophobicContact CD1-CG1 4.05Å; F550-I554 HydrophobicContact CD1-CD1 4.26Å; F550-I554 HydrophobicContact CE1-CD1 3.93Å; L551-I554 HydrophobicContact CD2-CD1 4.25Å; L551-I554 PolarHBondContact O-N 2.92Å; L552-I554 VanDerWaalsContact C-N 3.26Å; L552-I554 PolarHBondContact O-N 2.87Å; I554-M556 HydrophobicContact CG2-CG 4.09Å; I554-M556 PolarHBondContact O-N 2.95Å; I554-S567 WeakPolarHBondContact CG2-OG 3.34Å; I554-V568 HydrophobicContact CD1-CG2 4.18Å; I554-V568 HydrophobicContact CG2-CG2 4.34Å; I554-H571 HydrophobicContact CD1-CB 4.19Å; I554-Q595 PolarHBondContact O-NE2 3.29Å; I554-Q595 PolarHBondContact O-OE1 3.31Å
555	N	95.9	Very high	96.9	Very high	107 Å²	107	43.6 Å²	43.6	57%	0.572	21%	0.214	S	C	*	.			trans	-70.9	114.2	174.4	-175.9	17.1	0	0	0	110.7	K557	N555-K557 WeakPolarHBondContact OD1-CB 3.5Å; N555-K557 WeakPolarHBondContact OD1-CG 3.36Å; N555-K557 PolarHBondContact OD1-N 3.25Å
556	M	96.3	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.			trans	-118.8	9.5	173.4	-56.1	176.3	-77.1	0	0	112.1	I554 M559 A564 V568 F588 V591 Q595 N596	I554-M556 HydrophobicContact CG2-CG 4.09Å; I554-M556 PolarHBondContact O-N 2.95Å; M556-M559 WeakPolarHBondContact O-CB 3.43Å; M556-M559 PolarHBondContact O-N 3.35Å; M556-A564 HydrophobicContact CB-CB 3.88Å; M556-A564 HydrophobicContact CG-CB 3.95Å; M556-A564 HydrophobicContact SD-CB 3.96Å; M556-V568 HydrophobicContact SD-CG2 3.65Å; M556-F588 HydrophobicContact SD-CD2 4.15Å; M556-F588 HydrophobicContact SD-CE2 3.68Å; M556-V591 HydrophobicContact CE-CB 4.35Å; M556-V591 HydrophobicContact CE-CG1 3.66Å; M556-Q595 VanDerWaalsContact CA-OE1 3.31Å; M556-Q595 VanDerWaalsContact CB-OE1 3.24Å; M556-N596 PolarHBondContact O-ND2 3.45Å; M556-N596 PolarHBondContact O-OD1 2.73Å
557	K	95.6	Very high	96.8	Very high	135 Å²	135	41.6 Å²	41.6	59%	0.587	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	135.1	-178.6	-63.6	179.5	-179.5	-179.7	0	110.8	N555 M559 Q595	N555-K557 WeakPolarHBondContact OD1-CB 3.5Å; N555-K557 WeakPolarHBondContact OD1-CG 3.36Å; N555-K557 PolarHBondContact OD1-N 3.25Å; K557-M559 PolarHBondContact O-N 2.9Å; K557-M559 VanDerWaalsContact O-N 3.14Å; K557-Q595 HydrophobicContact CG-CB 4.12Å
558	N	94.9	Very high	96.8	Very high	146 Å²	146	41.7 Å²	41.7	78%	0.781	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	15.8	-176.9	-58	-37.6	0	0	0	114.7	N596 R599	N558-N596 PolarHBondContact N-OD1 2.95Å; N558-R599 PolarHBondContact O-NH1 2.96Å
559	M	96.5	Very high	96.6	Very high	49 Å²	49	39.2 Å²	39.2	24%	0.241	20%	0.198	C	C	.	.			trans	-91.3	158	174.9	-58.8	-176.6	72.8	0	0	111.1	M556 K557 V563 A564 Y592 R599	M556-M559 WeakPolarHBondContact O-CB 3.43Å; M556-M559 PolarHBondContact O-N 3.35Å; K557-M559 PolarHBondContact O-N 2.9Å; K557-M559 VanDerWaalsContact O-N 3.14Å; M559-V563 HydrophobicContact CE-CB 4.11Å; M559-V563 HydrophobicContact CE-CG1 3.55Å; M559-V563 WeakPolarHBondContact CE-O 3.49Å; M559-A564 HydrophobicContact CB-CB 4.12Å; M559-Y592 PolarHBondContact O-OH 3.45Å; M559-R599 WeakPolarHBondContact O-CD 3.45Å; M559-R599 PolarHBondContact O-NH1 3.06Å
560	E	96.3	Very high	96.4	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.178	19%	0.19	C	C	.	.			trans	-93.1	156.2	175.1	-156.4	146	-90.9	0	0	109.6	D562 V563 A564 R599 L658 R665	E560-D562 VanDerWaalsContact C-N 3.32Å; E560-D562 PolarHBondContact O-N 3.45Å; E560-D562 VanDerWaalsContact O-N 3.16Å; E560-V563 HydrophobicContact CB-CG2 4.09Å; E560-V563 CarbonylContact O-C 3.51Å; E560-V563 WeakPolarHBondContact O-CA 3.4Å; E560-V563 PolarHBondContact O-N 3.11Å; E560-A564 PolarHBondContact O-N 3.2Å; E560-R599 IonicContact OE1-CZ 3.68Å; E560-R599 IonicContact OE1-NE 2.69Å; E560-R599 IonicContact OE1-NH2 3.35Å; E560-R599 PolarHBondContact OE1-NH2 3.1Å; E560-L658 HydrophobicContact CG-CD1 3.58Å; E560-R665 IonicContact OE2-CZ 2.68Å; E560-R665 IonicContact OE2-NH1 2.69Å; E560-R665 PolarHBondContact OE2-NH1 3.42Å; E560-R665 IonicContact OE2-NH2 3.13Å; E560-R665 PolarHBondContact OE2-NH2 3.1Å
561	V	96.9	Very high	96.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-54	-43.5	-164.2	179.6	0	0	0	0	113.3	L565 F588 Y592 F604 V610 L613 A614	V561-L565 WeakPolarHBondContact O-CB 3.43Å; V561-L565 PolarHBondContact O-N 2.88Å; V561-F588 HydrophobicContact CG1-CE1 4.22Å; V561-Y592 HydrophobicContact CG2-CE1 3.97Å; V561-Y592 HydrophobicContact CG2-CE2 4.42Å; V561-Y592 WeakPolarHBondContact CG2-OH 2.97Å; V561-Y592 PolarHBondContact N-OH 3.41Å; V561-F604 HydrophobicContact CG2-CE2 4.22Å; V561-F604 HydrophobicContact CG2-CZ 4.11Å; V561-V610 HydrophobicContact CG1-CG1 4.45Å; V561-L613 HydrophobicContact CB-CD2 4.41Å; V561-L613 HydrophobicContact CG1-CD2 4.49Å; V561-L613 HydrophobicContact CG1-CG 4.45Å; V561-L613 HydrophobicContact CG2-CD2 4.28Å; V561-A614 HydrophobicContact CG1-CB 4.31Å
562	D	96.9	Very high	96.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-70.7	-31.7	177.2	67.2	-56.6	0	0	0	113.4	E560 R566 V617 I662 R665 I666	E560-D562 VanDerWaalsContact C-N 3.32Å; E560-D562 PolarHBondContact O-N 3.45Å; E560-D562 VanDerWaalsContact O-N 3.16Å; D562-R566 VanDerWaalsContact O-CB 3.25Å; D562-R566 WeakPolarHBondContact O-CB 3.44Å; D562-R566 PolarHBondContact O-N 3.21Å; D562-V617 HydrophobicContact CB-CG1 3.92Å; D562-V617 HydrophobicContact CB-CG2 4.32Å; D562-I662 HydrophobicContact CB-CG1 4.23Å; D562-I662 HydrophobicContact CB-CG2 4.27Å; D562-R665 IonicContact OD1-CZ 2.68Å; D562-R665 IonicContact OD1-NE 3.91Å; D562-R665 IonicContact OD1-NH2 3.79Å; D562-R665 PolarHBondContact OD1-NH2 3.24Å; D562-R665 IonicContact OD2-CZ 2.67Å; D562-R665 IonicContact OD2-NE 2.69Å; D562-R665 PolarHBondContact OD2-NE 2.82Å; D562-R665 IonicContact OD2-NH2 3.23Å; D562-R665 PolarHBondContact OD2-NH2 3.1Å; D562-I666 HydrophobicContact CB-CD1 4.26Å; D562-I666 HydrophobicContact CB-CG1 4.41Å
563	V	97.3	Very high	95.8	Very high	47 Å²	47	38.4 Å²	38.4	29%	0.285	20%	0.195	S	C	.	.	H	α-helix	trans	-78.4	-38.7	-179.7	-160	0	0	0	0	110.4	M559 E560 R566 S567	M559-V563 HydrophobicContact CE-CB 4.11Å; M559-V563 HydrophobicContact CE-CG1 3.55Å; M559-V563 WeakPolarHBondContact CE-O 3.49Å; E560-V563 HydrophobicContact CB-CG2 4.09Å; E560-V563 CarbonylContact O-C 3.51Å; E560-V563 WeakPolarHBondContact O-CA 3.4Å; E560-V563 PolarHBondContact O-N 3.11Å; V563-R566 WeakPolarHBondContact O-CB 3.47Å; V563-R566 PolarHBondContact O-N 3.06Å; V563-S567 PolarHBondContact O-N 3.43Å
564	A	97.8	Very high	95.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-47.5	169.3	0	0	0	0	0	111.1	M556 M559 E560 R566 S567 V568 F588 Y592	M556-A564 HydrophobicContact CB-CB 3.88Å; M556-A564 HydrophobicContact CG-CB 3.95Å; M556-A564 HydrophobicContact SD-CB 3.96Å; M559-A564 HydrophobicContact CB-CB 4.12Å; E560-A564 PolarHBondContact O-N 3.2Å; A564-R566 VanDerWaalsContact C-N 3.29Å; A564-R566 PolarHBondContact O-N 3.1Å; A564-S567 VanDerWaalsContact O-CB 3.29Å; A564-S567 WeakPolarHBondContact O-CB 3.49Å; A564-S567 PolarHBondContact O-N 3.26Å; A564-V568 PolarHBondContact O-N 3.23Å; A564-F588 HydrophobicContact CB-CE2 4.15Å; A564-F588 HydrophobicContact CB-CZ 4.04Å; A564-Y592 HydrophobicContact CB-CD2 3.68Å; A564-Y592 HydrophobicContact CB-CE2 3.62Å
565	L	97.1	Very high	95	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-36.5	175.6	-175.8	62.2	0	0	0	112.1	V561 V568 I569 M585 F588 A614 V617 F671	V561-L565 WeakPolarHBondContact O-CB 3.43Å; V561-L565 PolarHBondContact O-N 2.88Å; L565-V568 PolarHBondContact O-N 3.22Å; L565-I569 HydrophobicContact CD1-CD1 3.93Å; L565-I569 HydrophobicContact CD1-CG1 4.26Å; L565-I569 HydrophobicContact CD2-CD1 4.44Å; L565-I569 HydrophobicContact CG-CD1 3.82Å; L565-I569 HydrophobicContact CG-CG1 4.47Å; L565-I569 WeakPolarHBondContact O-CB 3.26Å; L565-I569 WeakPolarHBondContact O-CG1 3.45Å; L565-I569 PolarHBondContact O-N 3.05Å; L565-M585 HydrophobicContact CD1-CE 4.15Å; L565-M585 HydrophobicContact CD1-SD 4.14Å; L565-F588 HydrophobicContact CB-CE1 4.5Å; L565-F588 HydrophobicContact CB-CE2 4.19Å; L565-F588 HydrophobicContact CB-CZ 3.9Å; L565-F588 HydrophobicContact CD1-CD2 4.37Å; L565-F588 HydrophobicContact CD1-CE2 4.32Å; L565-F588 HydrophobicContact CD1-CG 4.5Å; L565-F588 HydrophobicContact CD1-CZ 4.42Å; L565-A614 HydrophobicContact CD2-CB 4.28Å; L565-A614 WeakPolarHBondContact CD2-O 3.47Å; L565-V617 HydrophobicContact CD2-CB 4.17Å; L565-V617 HydrophobicContact CD2-CG1 3.94Å; L565-F671 HydrophobicContact CD2-CE2 4.23Å; L565-F671 HydrophobicContact CD2-CZ 4.2Å; L565-F671 HydrophobicContact CG-CE2 4.44Å; L565-F671 HydrophobicContact CG-CZ 4.3Å
566	R	96.4	Very high	94.3	Very high	56 Å²	56	31.4 Å²	31.4	21%	0.211	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-41.5	171.8	-173.5	180	-63.4	-88.6	4	112.1	D562 V563 A564 G570 R665 S669 E670 F671	D562-R566 VanDerWaalsContact O-CB 3.25Å; D562-R566 WeakPolarHBondContact O-CB 3.44Å; D562-R566 PolarHBondContact O-N 3.21Å; V563-R566 WeakPolarHBondContact O-CB 3.47Å; V563-R566 PolarHBondContact O-N 3.06Å; A564-R566 VanDerWaalsContact C-N 3.29Å; A564-R566 PolarHBondContact O-N 3.1Å; R566-G570 PolarHBondContact O-N 3.03Å; R566-R665 PolarHBondContact NH2-O 3.09Å; R566-R665 VanDerWaalsContact NH2-O 3.15Å; R566-S669 PolarHBondContact NH1-O 3.36Å; R566-S669 PolarHBondContact NH1-OG 3.42Å; R566-S669 PolarHBondContact NH2-O 3.27Å; R566-E670 PolarHBondContact NH1-O 3.48Å; R566-F671 HydrophobicContact CB-CD1 3.99Å; R566-F671 HydrophobicContact CB-CE1 3.73Å; R566-F671 HydrophobicContact CG-CD1 3.95Å; R566-F671 HydrophobicContact CG-CE1 4.17Å
567	S	96.1	Very high	93.8	Very high	34 Å²	34	35 Å²	35	24%	0.238	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-47.2	174.6	-166.9	0	0	0	0	111.1	I554 V563 A564 G570 H571	I554-S567 WeakPolarHBondContact CG2-OG 3.34Å; V563-S567 PolarHBondContact O-N 3.43Å; A564-S567 VanDerWaalsContact O-CB 3.29Å; A564-S567 WeakPolarHBondContact O-CB 3.49Å; A564-S567 PolarHBondContact O-N 3.26Å; S567-G570 PolarHBondContact O-N 3.14Å; S567-H571 PolarHBondContact O-ND1 3.05Å
568	V	96	Very high	93.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-49.5	178.5	171.7	0	0	0	0	112.6	L551 I554 M556 A564 L565 G570 H571 F572 F588	L551-V568 HydrophobicContact CD2-CB 4.31Å; L551-V568 HydrophobicContact CD2-CG1 3.45Å; L551-V568 VanDerWaalsContact CD2-CG1 3.45Å; L551-V568 HydrophobicContact CD2-CG2 3.9Å; I554-V568 HydrophobicContact CD1-CG2 4.18Å; I554-V568 HydrophobicContact CG2-CG2 4.34Å; M556-V568 HydrophobicContact SD-CG2 3.65Å; A564-V568 PolarHBondContact O-N 3.23Å; L565-V568 PolarHBondContact O-N 3.22Å; V568-G570 PolarHBondContact O-N 3.24Å; V568-H571 PolarHBondContact O-N 3.37Å; V568-F572 HydrophobicContact CG1-CE1 3.92Å; V568-F572 HydrophobicContact CG1-CZ 4.27Å; V568-F588 HydrophobicContact CG2-CD2 3.99Å; V568-F588 HydrophobicContact CG2-CE2 4.1Å
569	I	94.4	Very high	93.2	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.062	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-19.8	177.4	-64.2	171.9	0	0	0	111.8	L565 H571 F572 L618 F671	L565-I569 HydrophobicContact CD1-CD1 3.93Å; L565-I569 HydrophobicContact CD1-CG1 4.26Å; L565-I569 HydrophobicContact CD2-CD1 4.44Å; L565-I569 HydrophobicContact CG-CD1 3.82Å; L565-I569 HydrophobicContact CG-CG1 4.47Å; L565-I569 WeakPolarHBondContact O-CB 3.26Å; L565-I569 WeakPolarHBondContact O-CG1 3.45Å; L565-I569 PolarHBondContact O-N 3.05Å; I569-H571 VanDerWaalsContact C-N 3.27Å; I569-H571 PolarHBondContact O-N 3.31Å; I569-F572 VanDerWaalsContact O-O 3.13Å; I569-L618 HydrophobicContact CD1-CD1 4.11Å; I569-F671 HydrophobicContact CD1-CD2 3.59Å; I569-F671 HydrophobicContact CD1-CE2 3.72Å; I569-F671 HydrophobicContact CD1-CG 4.3Å; I569-F671 HydrophobicContact CD1-CZ 4.5Å; I569-F671 HydrophobicContact CG2-CB 3.96Å; I569-F671 HydrophobicContact CG2-CG 4.48Å
570	G	93.8	Very high	93	Very high	8 Å²	8	29.3 Å²	29.3	8%	0.082	15%	0.151	C	C	.	.	H	α-helix	trans	-57.8	-38.4	168	0	0	0	0	0	112.8	R566 S567 V568 T673 L674	R566-G570 PolarHBondContact O-N 3.03Å; S567-G570 PolarHBondContact O-N 3.14Å; V568-G570 PolarHBondContact O-N 3.24Å; G570-T673 CarbonylContact O-C 3.57Å; G570-T673 WeakPolarHBondContact O-CA 3.31Å; G570-L674 WeakPolarHBondContact O-CB 3.37Å; G570-L674 WeakPolarHBondContact O-CG 3.32Å; G570-L674 PolarHBondContact O-N 2.79Å
571	H	95.2	Very high	92.8	Very high	40 Å²	40	27.6 Å²	27.6	19%	0.185	14%	0.143	C	C	.	.	H	α-helix	trans	-82.7	-34.1	-170.1	-68.9	81.1	0	0	0	113.9	R528 F550 I554 S567 V568 I569	R528-H571 WeakPolarHBondContact CD-O 3.47Å; R528-H571 PolarHBondContact NH1-O 3.33Å; F550-H571 HydrophobicContact CE1-CB 4.03Å; F550-H571 HydrophobicContact CZ-CB 3.87Å; I554-H571 HydrophobicContact CD1-CB 4.19Å; S567-H571 PolarHBondContact O-ND1 3.05Å; V568-H571 PolarHBondContact O-N 3.37Å; I569-H571 VanDerWaalsContact C-N 3.27Å; I569-H571 PolarHBondContact O-N 3.31Å
572	F	94.5	Very high	92.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.153	C	C	.	.			trans	-145.3	158.5	179.8	67.9	-86.1	0	0	0	112.9	I531 F535 F550 L551 V568 I569 P574 L584	I531-F572 HydrophobicContact CB-CB 3.99Å; I531-F572 HydrophobicContact CG2-CB 3.64Å; I531-F572 HydrophobicContact CG2-CG 4.24Å; F535-F572 HydrophobicContact CD2-CD1 4.01Å; F535-F572 AromaticContact CD2-CD2 4Å; F535-F572 HydrophobicContact CD2-CD2 4Å; F535-F572 AromaticContact CD2-CE1 3.97Å; F535-F572 HydrophobicContact CD2-CE1 3.97Å; F535-F572 AromaticContact CD2-CE2 3.95Å; F535-F572 HydrophobicContact CD2-CE2 3.95Å; F535-F572 HydrophobicContact CD2-CG 4.02Å; F535-F572 AromaticContact CD2-CZ 3.93Å; F535-F572 HydrophobicContact CD2-CZ 3.93Å; F535-F572 AromaticContact CE2-CD1 3.83Å; F535-F572 HydrophobicContact CE2-CD1 3.83Å; F535-F572 HydrophobicContact CE2-CE1 4.02Å; F535-F572 HydrophobicContact CE2-CG 4.11Å; F535-F572 HydrophobicContact CE2-CZ 4.45Å; F550-F572 AromaticContact CE1-CD1 3.69Å; F550-F572 HydrophobicContact CE1-CD1 3.69Å; F550-F572 AromaticContact CE1-CE1 4Å; F550-F572 HydrophobicContact CE1-CE1 4Å; F550-F572 HydrophobicContact CZ-CD1 4.24Å; L551-F572 HydrophobicContact CD2-CE1 4.46Å; V568-F572 HydrophobicContact CG1-CE1 3.92Å; V568-F572 HydrophobicContact CG1-CZ 4.27Å; I569-F572 VanDerWaalsContact O-O 3.13Å; F572-P574 HydrophobicContact CE2-CB 4.08Å; F572-P574 WeakPolarHBondContact O-CD 3.35Å; F572-L584 HydrophobicContact CE2-CD2 3.87Å; F572-L584 HydrophobicContact CZ-CD1 3.76Å; F572-L584 HydrophobicContact CZ-CD2 3.72Å; F572-L584 HydrophobicContact CZ-CG 4.42Å
573	H	91.1	Very high	92.3	Very high	50 Å²	50	30.5 Å²	30.5	23%	0.231	16%	0.162	C	C	.	.			trans	-92.1	107.8	176.2	-176.8	57.8	0	0	0	110.3	H189 R528 G532 T673	H189-H573 AromaticContact CD2-CE1 3.92Å; R528-H573 PolarHBondContact O-N 3.48Å; G532-H573 WeakPolarHBondContact CA-O 3.4Å; H573-T673 HydrophobicContact CB-CG2 4.09Å
574	P	88.5	Confident	92.2	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.071	15%	0.151	C	C	.	.			trans	-65.3	143.6	-173.7	26.4	-35.3	0	0	0	112.5	F572 G576 L584	F572-P574 HydrophobicContact CE2-CB 4.08Å; F572-P574 WeakPolarHBondContact O-CD 3.35Å; P574-G576 PolarHBondContact O-N 3.23Å; P574-L584 HydrophobicContact CB-CD2 3.9Å
575	S	87	Confident	92.1	Very high	21 Å²	21	28.8 Å²	28.8	15%	0.147	15%	0.151	C	C	.	.			trans	-63.2	123.7	177.5	-169.3	0	0	0	0	111.4	E577 K580 I581	S575-E577 PolarHBondContact O-N 3.05Å; S575-K580 WeakPolarHBondContact OG-CD 3.41Å; S575-I581 VanDerWaalsContact O-CG1 3.31Å; S575-I581 WeakPolarHBondContact O-CG1 3.38Å
576	G	80.7	Confident	92	Very high	7 Å²	7	33.5 Å²	33.5	7%	0.072	17%	0.171	C	C	.	.	S	Bend	trans	-68.8	16	-174.4	0	0	0	0	0	117	P574	P574-G576 PolarHBondContact O-N 3.23Å
577	E	86.4	Confident	92	Very high	77 Å²	77	31.3 Å²	31.3	36%	0.36	16%	0.164	S	C	.	.			trans	-91.8	127.4	175.6	-67.6	167	-132.7	0	0	110	S575 Q579 K580 I581	S575-E577 PolarHBondContact O-N 3.05Å; E577-Q579 PolarHBondContact O-N 3.09Å; E577-K580 HydrophobicContact CB-CB 4.47Å; E577-K580 HydrophobicContact CB-CD 4.06Å; E577-K580 HydrophobicContact CB-CG 4.25Å; E577-K580 HydrophobicContact CG-CD 4.47Å; E577-K580 PolarHBondContact O-N 3.44Å; E577-K580 IonicContact OE1-NZ 3.1Å; E577-K580 PolarHBondContact OE1-NZ 3.15Å; E577-K580 WeakPolarHBondContact OE2-CE 3.42Å; E577-K580 IonicContact OE2-NZ 2.63Å; E577-K580 PolarHBondContact OE2-NZ 2.76Å; E577-I581 PolarHBondContact O-N 3.18Å; E577-I581 VanDerWaalsContact O-N 3.1Å
578	S	87.5	Confident	92.1	Very high	21 Å²	21	29.7 Å²	29.7	15%	0.147	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-29.2	-171.2	55.6	0	0	0	0	114.7	T180 A582	T180-S578 PolarHBondContact OG1-OG 2.79Å; S578-A582 WeakPolarHBondContact O-CB 3.35Å; S578-A582 PolarHBondContact O-N 2.8Å
579	Q	90.3	Very high	92.1	Very high	139 Å²	139	30.8 Å²	30.8	65%	0.65	16%	0.157	S	C	*	.	H	α-helix	trans	-67.3	-42.6	175.6	-162.3	79.8	12.3	0	0	111.9	L538 E577 A582 N583	L538-Q579 HydrophobicContact CD1-CB 4.17Å; L538-Q579 HydrophobicContact CD1-CG 3.52Å; E577-Q579 PolarHBondContact O-N 3.09Å; Q579-A582 PolarHBondContact O-N 3.06Å; Q579-N583 PolarHBondContact O-N 3.41Å; Q579-N583 VanDerWaalsContact O-N 3.11Å
580	K	92.3	Very high	92.2	Very high	50 Å²	50	32.8 Å²	32.8	22%	0.217	17%	0.166	C	C	.	.	H	α-helix	trans	-72.2	-38.1	-178.5	-62.5	176	-178.2	170.5	0	110.8	G536 L538 S575 E577 N583 L584	G536-K580 WeakPolarHBondContact O-CD 3.45Å; G536-K580 WeakPolarHBondContact O-CE 3.29Å; L538-K580 HydrophobicContact CD1-CG 4.18Å; L538-K580 HydrophobicContact CD2-CG 4.48Å; L538-K580 HydrophobicContact CG-CG 4.25Å; S575-K580 WeakPolarHBondContact OG-CD 3.41Å; E577-K580 HydrophobicContact CB-CB 4.47Å; E577-K580 HydrophobicContact CB-CD 4.06Å; E577-K580 HydrophobicContact CB-CG 4.25Å; E577-K580 HydrophobicContact CG-CD 4.47Å; E577-K580 PolarHBondContact O-N 3.44Å; E577-K580 IonicContact OE1-NZ 3.1Å; E577-K580 PolarHBondContact OE1-NZ 3.15Å; E577-K580 WeakPolarHBondContact OE2-CE 3.42Å; E577-K580 IonicContact OE2-NZ 2.63Å; E577-K580 PolarHBondContact OE2-NZ 2.76Å; K580-N583 PolarHBondContact O-N 2.78Å; K580-L584 PolarHBondContact O-N 3.15Å
581	I	92.1	Very high	92.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-46.5	172.4	-63	175.3	0	0	0	111.2	F183 V187 S575 E577 N583 L584 M585 Y615 L618	F183-I581 HydrophobicContact CD1-CD1 3.37Å; F183-I581 HydrophobicContact CE1-CD1 3.58Å; F183-I581 HydrophobicContact CG-CD1 4.28Å; V187-I581 HydrophobicContact CG1-CD1 4.33Å; S575-I581 VanDerWaalsContact O-CG1 3.31Å; S575-I581 WeakPolarHBondContact O-CG1 3.38Å; E577-I581 PolarHBondContact O-N 3.18Å; E577-I581 VanDerWaalsContact O-N 3.1Å; I581-N583 PolarHBondContact O-N 2.87Å; I581-L584 PolarHBondContact O-N 3.14Å; I581-M585 HydrophobicContact CG2-CE 4.29Å; I581-M585 WeakPolarHBondContact O-CG 3.48Å; I581-M585 PolarHBondContact O-N 3.45Å; I581-Y615 HydrophobicContact CG2-CD2 4.29Å; I581-Y615 HydrophobicContact CG2-CE2 3.92Å; I581-L618 HydrophobicContact CG2-CD2 3.57Å
582	A	91	Very high	92.5	Very high	26 Å²	26	30.6 Å²	30.6	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-44.9	178.5	0	0	0	0	0	111.9	L76 S578 Q579 L584 M585 K586 Y615	L76-A582 HydrophobicContact CD2-CB 4.28Å; S578-A582 WeakPolarHBondContact O-CB 3.35Å; S578-A582 PolarHBondContact O-N 2.8Å; Q579-A582 PolarHBondContact O-N 3.06Å; A582-L584 VanDerWaalsContact C-N 3.34Å; A582-L584 PolarHBondContact O-N 3.32Å; A582-M585 PolarHBondContact O-N 3.4Å; A582-K586 PolarHBondContact O-N 3.04Å; A582-Y615 HydrophobicContact CB-CE2 4.27Å
583	N	93.4	Very high	92.6	Very high	36 Å²	36	32.7 Å²	32.7	19%	0.193	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-42.3	174.3	-178.2	76.9	0	0	0	112.6	L538 M544 Q579 K580 I581 K586 I587	L538-N583 HydrophobicContact CD2-CB 3.56Å; L538-N583 VanDerWaalsContact CD2-CG 3.45Å; L538-N583 WeakPolarHBondContact CD2-ND2 3.43Å; M544-N583 WeakPolarHBondContact CE-ND2 3.42Å; M544-N583 WeakPolarHBondContact CE-OD1 3.36Å; M544-N583 PolarHBondContact SD-ND2 3.32Å; Q579-N583 PolarHBondContact O-N 3.41Å; Q579-N583 VanDerWaalsContact O-N 3.11Å; K580-N583 PolarHBondContact O-N 2.78Å; I581-N583 PolarHBondContact O-N 2.87Å; N583-K586 PolarHBondContact O-N 2.93Å; N583-I587 PolarHBondContact O-N 3.22Å; N583-I587 VanDerWaalsContact O-N 3.12Å
584	L	95.5	Very high	92.9	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-43.3	174.5	174.8	60.8	0	0	0	112	L547 L551 F572 P574 K580 I581 A582 K586 I587 F588	L547-L584 HydrophobicContact CD1-CD1 3.87Å; L547-L584 HydrophobicContact CD2-CD1 4.29Å; L551-L584 HydrophobicContact CD1-CD1 4.32Å; F572-L584 HydrophobicContact CE2-CD2 3.87Å; F572-L584 HydrophobicContact CZ-CD1 3.76Å; F572-L584 HydrophobicContact CZ-CD2 3.72Å; F572-L584 HydrophobicContact CZ-CG 4.42Å; P574-L584 HydrophobicContact CB-CD2 3.9Å; K580-L584 PolarHBondContact O-N 3.15Å; I581-L584 PolarHBondContact O-N 3.14Å; A582-L584 VanDerWaalsContact C-N 3.34Å; A582-L584 PolarHBondContact O-N 3.32Å; L584-K586 VanDerWaalsContact C-N 3.28Å; L584-K586 PolarHBondContact O-N 2.91Å; L584-I587 PolarHBondContact O-N 2.98Å; L584-F588 VanDerWaalsContact O-CB 3.28Å; L584-F588 WeakPolarHBondContact O-CB 3.42Å; L584-F588 PolarHBondContact O-N 2.95Å
585	M	95.2	Very high	93.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-35.9	177.4	-64.2	-51.2	114.2	0	0	111.8	L565 I581 A582 H589 E611 A614 Y615 L618	L565-M585 HydrophobicContact CD1-CE 4.15Å; L565-M585 HydrophobicContact CD1-SD 4.14Å; I581-M585 HydrophobicContact CG2-CE 4.29Å; I581-M585 WeakPolarHBondContact O-CG 3.48Å; I581-M585 PolarHBondContact O-N 3.45Å; A582-M585 PolarHBondContact O-N 3.4Å; M585-H589 VanDerWaalsContact O-CB 3.26Å; M585-H589 WeakPolarHBondContact O-CB 3.09Å; M585-H589 PolarHBondContact O-N 3.27Å; M585-E611 HydrophobicContact CB-CG 4.11Å; M585-A614 HydrophobicContact SD-CB 3.74Å; M585-Y615 HydrophobicContact CG-CD2 3.86Å; M585-Y615 HydrophobicContact CG-CG 4.44Å; M585-L618 HydrophobicContact CE-CD2 4.03Å
586	K	95	Very high	93.8	Very high	100 Å²	100	35.3 Å²	35.3	44%	0.435	18%	0.176	S	C	.	.	H	α-helix	trans	-62.5	-51.5	173.8	-175.6	-172.2	174.6	-165.1	0	112.3	A582 N583 L584 F588 H589 E590 E611	A582-K586 PolarHBondContact O-N 3.04Å; N583-K586 PolarHBondContact O-N 2.93Å; L584-K586 VanDerWaalsContact C-N 3.28Å; L584-K586 PolarHBondContact O-N 2.91Å; K586-F588 VanDerWaalsContact C-N 3.3Å; K586-F588 PolarHBondContact O-N 3.49Å; K586-H589 WeakPolarHBondContact O-CB 3.44Å; K586-H589 PolarHBondContact O-N 2.9Å; K586-H589 VanDerWaalsContact O-N 3.17Å; K586-E590 VanDerWaalsContact CE-OE1 3.23Å; K586-E590 WeakPolarHBondContact CE-OE1 3.42Å; K586-E590 IonicContact NZ-OE1 2.67Å; K586-E590 PolarHBondContact O-N 3.46Å; K586-E611 WeakPolarHBondContact CA-OE2 3.33Å
587	I	96.4	Very high	94.5	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.051	19%	0.191	C	C	.	.	H	α-helix	trans	-67.5	-33.5	-179.6	-54	-58.6	0	0	0	111.1	M544 L547 K548 L551 N583 L584 E590 V591	M544-I587 HydrophobicContact CE-CD1 3.95Å; M544-I587 HydrophobicContact CE-CG1 4Å; L547-I587 HydrophobicContact CD2-CB 4.26Å; L547-I587 HydrophobicContact CD2-CG1 4.14Å; L547-I587 HydrophobicContact CD2-CG2 4.49Å; L547-I587 HydrophobicContact CG-CB 4.44Å; L547-I587 HydrophobicContact CG-CG2 4.16Å; K548-I587 HydrophobicContact CB-CG2 3.89Å; K548-I587 HydrophobicContact CG-CG2 4.17Å; L551-I587 HydrophobicContact CD1-CG2 4.17Å; N583-I587 PolarHBondContact O-N 3.22Å; N583-I587 VanDerWaalsContact O-N 3.12Å; L584-I587 PolarHBondContact O-N 2.98Å; I587-E590 PolarHBondContact O-N 3.18Å; I587-V591 WeakPolarHBondContact O-CG2 3.47Å; I587-V591 PolarHBondContact O-N 3.45Å; I587-V591 VanDerWaalsContact O-N 3.1Å
588	F	97.3	Very high	95	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-46.2	169.6	171.5	-96.7	0	0	0	112.2	L551 M556 V561 A564 L565 V568 L584 K586 V591 Y592 V610 A614	L551-F588 HydrophobicContact CD1-CB 4.14Å; M556-F588 HydrophobicContact SD-CD2 4.15Å; M556-F588 HydrophobicContact SD-CE2 3.68Å; V561-F588 HydrophobicContact CG1-CE1 4.22Å; A564-F588 HydrophobicContact CB-CE2 4.15Å; A564-F588 HydrophobicContact CB-CZ 4.04Å; L565-F588 HydrophobicContact CB-CE1 4.5Å; L565-F588 HydrophobicContact CB-CE2 4.19Å; L565-F588 HydrophobicContact CB-CZ 3.9Å; L565-F588 HydrophobicContact CD1-CD2 4.37Å; L565-F588 HydrophobicContact CD1-CE2 4.32Å; L565-F588 HydrophobicContact CD1-CG 4.5Å; L565-F588 HydrophobicContact CD1-CZ 4.42Å; V568-F588 HydrophobicContact CG2-CD2 3.99Å; V568-F588 HydrophobicContact CG2-CE2 4.1Å; L584-F588 VanDerWaalsContact O-CB 3.28Å; L584-F588 WeakPolarHBondContact O-CB 3.42Å; L584-F588 PolarHBondContact O-N 2.95Å; K586-F588 VanDerWaalsContact C-N 3.3Å; K586-F588 PolarHBondContact O-N 3.49Å; F588-V591 PolarHBondContact O-N 2.85Å; F588-Y592 HydrophobicContact CZ-CD2 4.08Å; F588-Y592 HydrophobicContact CZ-CG 4.44Å; F588-Y592 WeakPolarHBondContact O-CB 3.18Å; F588-Y592 PolarHBondContact O-N 3.38Å; F588-V610 HydrophobicContact CE1-CG1 4.35Å; F588-A614 HydrophobicContact CD1-CB 3.8Å; F588-A614 HydrophobicContact CE1-CB 3.72Å
589	H	96.2	Very high	95.3	Very high	23 Å²	23	41.1 Å²	41.1	11%	0.106	21%	0.205	C	C	.	.	H	α-helix	trans	-57.8	-49	175.4	152.6	-142	0	0	0	111.6	M585 K586 V591 I593 P607 V610 E611	M585-H589 VanDerWaalsContact O-CB 3.26Å; M585-H589 WeakPolarHBondContact O-CB 3.09Å; M585-H589 PolarHBondContact O-N 3.27Å; K586-H589 WeakPolarHBondContact O-CB 3.44Å; K586-H589 PolarHBondContact O-N 2.9Å; K586-H589 VanDerWaalsContact O-N 3.17Å; H589-V591 PolarHBondContact O-N 3.41Å; H589-I593 WeakPolarHBondContact CD2-CD1 2.89Å; H589-I593 WeakPolarHBondContact NE2-CD1 3.38Å; H589-I593 WeakPolarHBondContact O-CG1 3.41Å; H589-I593 PolarHBondContact O-N 3.46Å; H589-P607 PolarHBondContact CD2-O 2.91Å; H589-P607 PolarHBondContact NE2-O 3.42Å; H589-V610 HydrophobicContact CB-CG1 4.46Å; H589-E611 HydrophobicContact CB-CB 3.77Å; H589-E611 HydrophobicContact CB-CG 4.31Å; H589-E611 IonicContact CE1-OE2 3.91Å; H589-E611 IonicContact CG-OE2 3.62Å; H589-E611 IonicContact ND1-OE2 3.07Å; H589-E611 PolarHBondContact ND1-OE2 3.39Å
590	E	96.9	Very high	95.6	Very high	55 Å²	55	35 Å²	35	26%	0.257	18%	0.177	S	C	.	.	H	α-helix	trans	-56	-46.8	176.2	-70.9	179.3	-151.8	0	0	112.3	K548 K586 I587 I594	K548-E590 IonicContact NZ-OE2 2.68Å; K548-E590 PolarHBondContact NZ-OE2 3.35Å; K586-E590 VanDerWaalsContact CE-OE1 3.23Å; K586-E590 WeakPolarHBondContact CE-OE1 3.42Å; K586-E590 IonicContact NZ-OE1 2.67Å; K586-E590 PolarHBondContact O-N 3.46Å; I587-E590 PolarHBondContact O-N 3.18Å; E590-I594 WeakPolarHBondContact O-CD1 3.37Å; E590-I594 WeakPolarHBondContact O-CG1 3.45Å
591	V	97.4	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-78.6	-36.1	-175.7	178	0	0	0	0	112.8	K548 L551 L552 M556 I587 F588 H589 I593 I594 Q595	K548-V591 HydrophobicContact CG-CG2 4.05Å; L551-V591 HydrophobicContact CB-CB 4.23Å; L551-V591 HydrophobicContact CB-CG1 4.12Å; L551-V591 HydrophobicContact CB-CG2 4.11Å; L552-V591 HydrophobicContact CD2-CG1 3.81Å; L552-V591 HydrophobicContact CD2-CG2 4.42Å; L552-V591 HydrophobicContact CG-CG1 3.95Å; L552-V591 HydrophobicContact CG-CG2 4.09Å; M556-V591 HydrophobicContact CE-CB 4.35Å; M556-V591 HydrophobicContact CE-CG1 3.66Å; I587-V591 WeakPolarHBondContact O-CG2 3.47Å; I587-V591 PolarHBondContact O-N 3.45Å; I587-V591 VanDerWaalsContact O-N 3.1Å; F588-V591 PolarHBondContact O-N 2.85Å; H589-V591 PolarHBondContact O-N 3.41Å; V591-I593 VanDerWaalsContact C-N 3.29Å; V591-I593 PolarHBondContact O-N 2.96Å; V591-I594 PolarHBondContact O-N 2.93Å; V591-Q595 PolarHBondContact O-N 2.96Å; V591-Q595 VanDerWaalsContact O-N 3.15Å
592	Y	98.2	Very high	95.8	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-38.2	177.4	178.4	-90.4	0	0	0	111.7	M559 V561 A564 F588 Q595 N596 V600 V610	M559-Y592 PolarHBondContact O-OH 3.45Å; V561-Y592 HydrophobicContact CG2-CE1 3.97Å; V561-Y592 HydrophobicContact CG2-CE2 4.42Å; V561-Y592 WeakPolarHBondContact CG2-OH 2.97Å; V561-Y592 PolarHBondContact N-OH 3.41Å; A564-Y592 HydrophobicContact CB-CD2 3.68Å; A564-Y592 HydrophobicContact CB-CE2 3.62Å; F588-Y592 HydrophobicContact CZ-CD2 4.08Å; F588-Y592 HydrophobicContact CZ-CG 4.44Å; F588-Y592 WeakPolarHBondContact O-CB 3.18Å; F588-Y592 PolarHBondContact O-N 3.38Å; Y592-Q595 PolarHBondContact O-N 3.13Å; Y592-N596 HydrophobicContact CE1-CB 4.27Å; Y592-N596 WeakPolarHBondContact O-CB 3.31Å; Y592-N596 PolarHBondContact O-N 3.32Å; Y592-N596 PolarHBondContact O-ND2 3.45Å; Y592-V600 HydrophobicContact CD1-CG2 3.99Å; Y592-V600 HydrophobicContact CE1-CG2 3.72Å; Y592-V610 HydrophobicContact CD1-CG1 3.65Å; Y592-V610 HydrophobicContact CD1-CG2 4.24Å; Y592-V610 HydrophobicContact CE1-CG1 4.17Å; Y592-V610 HydrophobicContact CE1-CG2 4.31Å; Y592-V610 HydrophobicContact CG-CG1 4.19Å
593	I	97.1	Very high	95.9	Very high	45 Å²	45	50.2 Å²	50.2	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-46.8	174.5	-69.8	169.3	0	0	0	111.2	H589 V591 Q595 N596 P597 V600 P607	H589-I593 WeakPolarHBondContact CD2-CD1 2.89Å; H589-I593 WeakPolarHBondContact NE2-CD1 3.38Å; H589-I593 WeakPolarHBondContact O-CG1 3.41Å; H589-I593 PolarHBondContact O-N 3.46Å; V591-I593 VanDerWaalsContact C-N 3.29Å; V591-I593 PolarHBondContact O-N 2.96Å; I593-Q595 PolarHBondContact O-N 3.14Å; I593-N596 CarbonylContact O-C 3.58Å; I593-N596 PolarHBondContact O-N 3.3Å; I593-N596 VanDerWaalsContact O-N 3.15Å; I593-P597 WeakPolarHBondContact O-CA 3.34Å; I593-P597 VanDerWaalsContact O-CD 3.32Å; I593-P597 WeakPolarHBondContact O-CD 3.47Å; I593-P597 VanDerWaalsContact O-N 3.11Å; I593-V600 HydrophobicContact CG1-CG1 4.34Å; I593-V600 HydrophobicContact CG1-CG2 4.12Å; I593-P607 HydrophobicContact CD1-CB 3.38Å; I593-P607 HydrophobicContact CG1-CB 4.48Å
594	I	96.5	Very high	96	Very high	104 Å²	104	49.3 Å²	49.3	53%	0.533	23%	0.229	S	C	.	.	H	α-helix	trans	-57.5	-36.6	179.6	-67.7	166.1	0	0	0	111.1	L552 E590 V591	L552-I594 HydrophobicContact CD2-CG2 4.37Å; E590-I594 WeakPolarHBondContact O-CD1 3.37Å; E590-I594 WeakPolarHBondContact O-CG1 3.45Å; V591-I594 PolarHBondContact O-N 2.93Å
595	Q	97.3	Very high	95.9	Very high	27 Å²	27	55.1 Å²	55.1	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-89.8	-13.6	179.5	-64.2	-171.9	4.3	0	0	115	L552 I554 M556 K557 V591 Y592 I593	L552-Q595 PolarHBondContact O-NE2 3.17Å; I554-Q595 PolarHBondContact O-NE2 3.29Å; I554-Q595 PolarHBondContact O-OE1 3.31Å; M556-Q595 VanDerWaalsContact CA-OE1 3.31Å; M556-Q595 VanDerWaalsContact CB-OE1 3.24Å; K557-Q595 HydrophobicContact CG-CB 4.12Å; V591-Q595 PolarHBondContact O-N 2.96Å; V591-Q595 VanDerWaalsContact O-N 3.15Å; Y592-Q595 PolarHBondContact O-N 3.13Å; I593-Q595 PolarHBondContact O-N 3.14Å
596	N	97.1	Very high	95.8	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.032	26%	0.26	C	S	.	.			trans	-139.6	45.1	-175.4	-62.5	-85.2	0	0	0	114.3	M556 N558 Y592 I593 D598 R599 V600	M556-N596 PolarHBondContact O-ND2 3.45Å; M556-N596 PolarHBondContact O-OD1 2.73Å; N558-N596 PolarHBondContact N-OD1 2.95Å; Y592-N596 HydrophobicContact CE1-CB 4.27Å; Y592-N596 WeakPolarHBondContact O-CB 3.31Å; Y592-N596 PolarHBondContact O-N 3.32Å; Y592-N596 PolarHBondContact O-ND2 3.45Å; I593-N596 CarbonylContact O-C 3.58Å; I593-N596 PolarHBondContact O-N 3.3Å; I593-N596 VanDerWaalsContact O-N 3.15Å; N596-D598 VanDerWaalsContact C-N 3.34Å; N596-D598 PolarHBondContact O-N 3.23Å; N596-R599 HydrophobicContact CB-CB 4.28Å; N596-R599 PolarHBondContact O-N 3.36Å; N596-V600 WeakPolarHBondContact O-CG2 3.2Å; N596-V600 PolarHBondContact O-N 2.91Å; N596-V600 VanDerWaalsContact O-N 3.07Å
597	P	96.1	Very high	95.7	Very high	58 Å²	58	54 Å²	54	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-59.6	-41.8	-169.1	24.3	-34.4	0	0	0	112.9	I593 V600 R601	I593-P597 WeakPolarHBondContact O-CA 3.34Å; I593-P597 VanDerWaalsContact O-CD 3.32Å; I593-P597 WeakPolarHBondContact O-CD 3.47Å; I593-P597 VanDerWaalsContact O-N 3.11Å; P597-V600 PolarHBondContact O-N 3.04Å; P597-R601 WeakPolarHBondContact O-CB 3.37Å; P597-R601 PolarHBondContact O-N 3.3Å
598	D	95.5	Very high	95.5	Very high	99 Å²	99	56.7 Å²	56.7	53%	0.529	27%	0.272	S	S	.	.	H	α-helix	trans	-75.1	-31.4	-177.3	-52.5	-61.1	0	0	0	113	N596 R601 K602	N596-D598 VanDerWaalsContact C-N 3.34Å; N596-D598 PolarHBondContact O-N 3.23Å; D598-R601 IonicContact OD1-CZ 3.81Å; D598-R601 IonicContact OD1-NH1 3.56Å; D598-R601 PolarHBondContact OD1-NH1 3.23Å; D598-R601 IonicContact OD1-NH2 3.86Å; D598-R601 PolarHBondContact OD1-NH2 2.96Å; D598-R601 VanDerWaalsContact OD1-NH2 3.13Å; D598-K602 VanDerWaalsContact O-CB 3.23Å; D598-K602 WeakPolarHBondContact O-CB 3.4Å; D598-K602 PolarHBondContact O-N 3.02Å
599	R	94.8	Very high	95.4	Very high	71 Å²	71	56.8 Å²	56.8	27%	0.268	27%	0.272	S	S	.	.	H	α-helix	trans	-68.6	-38.9	173.2	-163.2	-169.7	-159.8	123.7	7.8	110.8	N558 M559 E560 N596 K602 N603	N558-R599 PolarHBondContact O-NH1 2.96Å; M559-R599 WeakPolarHBondContact O-CD 3.45Å; M559-R599 PolarHBondContact O-NH1 3.06Å; E560-R599 IonicContact OE1-CZ 3.68Å; E560-R599 IonicContact OE1-NE 2.69Å; E560-R599 IonicContact OE1-NH2 3.35Å; E560-R599 PolarHBondContact OE1-NH2 3.1Å; N596-R599 HydrophobicContact CB-CB 4.28Å; N596-R599 PolarHBondContact O-N 3.36Å; R599-K602 PolarHBondContact O-N 3.13Å; R599-N603 VanDerWaalsContact O-CB 3.29Å; R599-N603 WeakPolarHBondContact O-CB 3.48Å; R599-N603 PolarHBondContact O-N 2.96Å
600	V	95.4	Very high	95.4	Very high	10 Å²	10	55.7 Å²	55.7	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-50.2	175.4	173.7	0	0	0	0	110	Y592 I593 N596 P597 K602 N603 F604 V610	Y592-V600 HydrophobicContact CD1-CG2 3.99Å; Y592-V600 HydrophobicContact CE1-CG2 3.72Å; I593-V600 HydrophobicContact CG1-CG1 4.34Å; I593-V600 HydrophobicContact CG1-CG2 4.12Å; N596-V600 WeakPolarHBondContact O-CG2 3.2Å; N596-V600 PolarHBondContact O-N 2.91Å; N596-V600 VanDerWaalsContact O-N 3.07Å; P597-V600 PolarHBondContact O-N 3.04Å; V600-K602 PolarHBondContact O-N 3.34Å; V600-N603 PolarHBondContact O-N 3.47Å; V600-F604 HydrophobicContact CG1-CD2 4.34Å; V600-F604 PolarHBondContact O-N 3.43Å; V600-V610 HydrophobicContact CG1-CG2 4.42Å; V600-V610 HydrophobicContact CG2-CG2 4.13Å
601	R	94.5	Very high	95.3	Very high	174 Å²	174	54.3 Å²	54.3	66%	0.657	26%	0.261	S	S	*	.	H	α-helix	trans	-60.7	-29.3	177.6	-158.5	-169	-51.7	106	4.4	113.6	P597 D598	P597-R601 WeakPolarHBondContact O-CB 3.37Å; P597-R601 PolarHBondContact O-N 3.3Å; D598-R601 IonicContact OD1-CZ 3.81Å; D598-R601 IonicContact OD1-NH1 3.56Å; D598-R601 PolarHBondContact OD1-NH1 3.23Å; D598-R601 IonicContact OD1-NH2 3.86Å; D598-R601 PolarHBondContact OD1-NH2 2.96Å; D598-R601 VanDerWaalsContact OD1-NH2 3.13Å
602	K	94.3	Very high	95.1	Very high	179 Å²	179	54.7 Å²	54.7	78%	0.778	26%	0.263	S	S	*	.	H	α-helix	trans	-80.5	-36.5	177.8	-175.9	-179.3	177.2	-178	0	113.4	D598 R599 V600	D598-K602 VanDerWaalsContact O-CB 3.23Å; D598-K602 WeakPolarHBondContact O-CB 3.4Å; D598-K602 PolarHBondContact O-N 3.02Å; R599-K602 PolarHBondContact O-N 3.13Å; V600-K602 PolarHBondContact O-N 3.34Å
603	N	93.3	Very high	95	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.241	26%	0.263	C	S	.	.	H	α-helix	trans	-103.7	-14.8	-167.4	-69.6	21.5	0	0	0	114.3	R599 V600	R599-N603 VanDerWaalsContact O-CB 3.29Å; R599-N603 WeakPolarHBondContact O-CB 3.48Å; R599-N603 PolarHBondContact O-N 2.96Å; V600-N603 PolarHBondContact O-N 3.47Å
604	F	95.3	Very high	95	Very high	16 Å²	16	52.4 Å²	52.4	7%	0.07	25%	0.252	C	S	.	.			trans	-139.5	140.8	-175.7	-51.7	-65.5	0	0	0	111.9	V561 V600 S606 T609 V610 L613 D649 V654 L658	V561-F604 HydrophobicContact CG2-CE2 4.22Å; V561-F604 HydrophobicContact CG2-CZ 4.11Å; V600-F604 HydrophobicContact CG1-CD2 4.34Å; V600-F604 PolarHBondContact O-N 3.43Å; F604-S606 VanDerWaalsContact C-N 3.33Å; F604-S606 WeakPolarHBondContact CB-O 3.31Å; F604-T609 HydrophobicContact CD1-CG2 3.59Å; F604-T609 HydrophobicContact CE1-CG2 4.07Å; F604-T609 HydrophobicContact CG-CG2 4.21Å; F604-V610 HydrophobicContact CD2-CG2 3.98Å; F604-V610 HydrophobicContact CE2-CG2 3.93Å; F604-L613 HydrophobicContact CE1-CD2 3.85Å; F604-L613 HydrophobicContact CZ-CD2 3.75Å; F604-D649 WeakPolarHBondContact CA-OD2 3.19Å; F604-V654 HydrophobicContact CD1-CG1 4.48Å; F604-V654 HydrophobicContact CD1-CG2 4.14Å; F604-V654 HydrophobicContact CE1-CG1 3.91Å; F604-V654 HydrophobicContact CE1-CG2 4.12Å; F604-L658 HydrophobicContact CE1-CD2 4.05Å; F604-L658 HydrophobicContact CZ-CD2 3.98Å
605	H	93.9	Very high	94.8	Very high	132 Å²	132	47.8 Å²	47.8	61%	0.611	23%	0.227	S	C	*	.	S	Bend	trans	-73.9	-26.2	172.1	-58.1	80.8	0	0	0	111.7	D649	H605-D649 IonicContact CE1-OD2 2.85Å; H605-D649 IonicContact CG-OD2 3.29Å; H605-D649 VanDerWaalsContact N-CG 3.31Å; H605-D649 PolarHBondContact N-OD1 3.03Å; H605-D649 PolarHBondContact N-OD2 3.44Å; H605-D649 IonicContact ND1-OD2 3.7Å; H605-D649 PolarHBondContact ND1-OD2 3.3Å
606	S	93.1	Very high	94.7	Very high	13 Å²	13	46.5 Å²	46.5	9%	0.091	22%	0.221	C	C	.	.			trans	-128.3	138.2	176.7	-170.6	0	0	0	0	112.7	F604 E608 T609 D649 S650	F604-S606 VanDerWaalsContact C-N 3.33Å; F604-S606 WeakPolarHBondContact CB-O 3.31Å; S606-E608 VanDerWaalsContact C-N 3.26Å; S606-E608 PolarHBondContact O-N 3.43Å; S606-E608 PolarHBondContact OG-N 3.41Å; S606-T609 VanDerWaalsContact O-CB 3.23Å; S606-T609 WeakPolarHBondContact O-CB 3.38Å; S606-T609 PolarHBondContact O-N 2.84Å; S606-T609 PolarHBondContact O-OG1 2.88Å; S606-T609 VanDerWaalsContact O-OG1 3.04Å; S606-D649 PolarHBondContact N-OD1 3.28Å; S606-S650 WeakPolarHBondContact CB-OG 3.24Å
607	P	93.3	Very high	94.7	Very high	64 Å²	64	46.2 Å²	46.2	42%	0.416	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.8	171	21.8	-31.5	0	0	0	112.8	H589 I593 T609 V610	H589-P607 PolarHBondContact CD2-O 2.91Å; H589-P607 PolarHBondContact NE2-O 3.42Å; I593-P607 HydrophobicContact CD1-CB 3.38Å; I593-P607 HydrophobicContact CG1-CB 4.48Å; P607-T609 PolarHBondContact O-N 3.45Å; P607-V610 WeakPolarHBondContact O-CB 3.34Å; P607-V610 WeakPolarHBondContact O-CG2 3.46Å; P607-V610 PolarHBondContact O-N 2.76Å
608	E	91.9	Very high	94.5	Very high	68 Å²	68	43.8 Å²	43.8	32%	0.318	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.4	-179.7	-59.1	-173.3	141.6	0	0	113.3	K75 S606 V610 E611 V612	K75-E608 WeakPolarHBondContact CD-OE2 3.46Å; K75-E608 WeakPolarHBondContact CE-OE2 3.29Å; K75-E608 IonicContact NZ-OE2 2.62Å; K75-E608 PolarHBondContact NZ-OE2 3.26Å; S606-E608 VanDerWaalsContact C-N 3.26Å; S606-E608 PolarHBondContact O-N 3.43Å; S606-E608 PolarHBondContact OG-N 3.41Å; E608-V610 PolarHBondContact O-N 2.7Å; E608-E611 WeakPolarHBondContact O-CB 3.41Å; E608-E611 PolarHBondContact O-N 3.21Å; E608-V612 PolarHBondContact O-N 3.11Å
609	T	94.7	Very high	94.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-31.2	178	-53.8	0	0	0	0	111.8	F604 S606 P607 E611 V612 L613 I648 D649 V654	F604-T609 HydrophobicContact CD1-CG2 3.59Å; F604-T609 HydrophobicContact CE1-CG2 4.07Å; F604-T609 HydrophobicContact CG-CG2 4.21Å; S606-T609 VanDerWaalsContact O-CB 3.23Å; S606-T609 WeakPolarHBondContact O-CB 3.38Å; S606-T609 PolarHBondContact O-N 2.84Å; S606-T609 PolarHBondContact O-OG1 2.88Å; S606-T609 VanDerWaalsContact O-OG1 3.04Å; P607-T609 PolarHBondContact O-N 3.45Å; T609-E611 PolarHBondContact O-N 2.86Å; T609-V612 PolarHBondContact O-N 3.24Å; T609-L613 WeakPolarHBondContact O-CB 3.34Å; T609-L613 PolarHBondContact O-N 3.12Å; T609-I648 HydrophobicContact CG2-CD1 4.24Å; T609-I648 HydrophobicContact CG2-CG1 4.08Å; T609-D649 WeakPolarHBondContact CB-OD1 3.49Å; T609-D649 HydrophobicContact CG2-CB 3.78Å; T609-D649 WeakPolarHBondContact OG1-CA 3.4Å; T609-D649 PolarHBondContact OG1-OD1 3.01Å; T609-V654 HydrophobicContact CG2-CG2 3.76Å
610	V	96.1	Very high	94.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.1	-40.2	175.9	179.4	0	0	0	0	111.7	V561 F588 H589 Y592 V600 F604 P607 E608 A614	V561-V610 HydrophobicContact CG1-CG1 4.45Å; F588-V610 HydrophobicContact CE1-CG1 4.35Å; H589-V610 HydrophobicContact CB-CG1 4.46Å; Y592-V610 HydrophobicContact CD1-CG1 3.65Å; Y592-V610 HydrophobicContact CD1-CG2 4.24Å; Y592-V610 HydrophobicContact CE1-CG1 4.17Å; Y592-V610 HydrophobicContact CE1-CG2 4.31Å; Y592-V610 HydrophobicContact CG-CG1 4.19Å; V600-V610 HydrophobicContact CG1-CG2 4.42Å; V600-V610 HydrophobicContact CG2-CG2 4.13Å; F604-V610 HydrophobicContact CD2-CG2 3.98Å; F604-V610 HydrophobicContact CE2-CG2 3.93Å; P607-V610 WeakPolarHBondContact O-CB 3.34Å; P607-V610 WeakPolarHBondContact O-CG2 3.46Å; P607-V610 PolarHBondContact O-N 2.76Å; E608-V610 PolarHBondContact O-N 2.7Å; V610-A614 VanDerWaalsContact O-CB 3.23Å; V610-A614 WeakPolarHBondContact O-CB 3.38Å; V610-A614 PolarHBondContact O-N 2.83Å
611	E	94.8	Very high	94.2	Very high	26 Å²	26	35.8 Å²	35.8	12%	0.121	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-47.3	179.3	-170.1	175.6	133.9	0	0	111.7	M585 K586 H589 E608 T609 A614 Y615	M585-E611 HydrophobicContact CB-CG 4.11Å; K586-E611 WeakPolarHBondContact CA-OE2 3.33Å; H589-E611 HydrophobicContact CB-CB 3.77Å; H589-E611 HydrophobicContact CB-CG 4.31Å; H589-E611 IonicContact CE1-OE2 3.91Å; H589-E611 IonicContact CG-OE2 3.62Å; H589-E611 IonicContact ND1-OE2 3.07Å; H589-E611 PolarHBondContact ND1-OE2 3.39Å; E608-E611 WeakPolarHBondContact O-CB 3.41Å; E608-E611 PolarHBondContact O-N 3.21Å; T609-E611 PolarHBondContact O-N 2.86Å; E611-A614 PolarHBondContact O-N 3.27Å; E611-Y615 PolarHBondContact O-N 2.88Å
612	V	93.7	Very high	93.9	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.048	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-41.6	179.7	-176.2	0	0	0	0	110.4	F79 E608 T609 Y615 S616 I648	F79-V612 HydrophobicContact CB-CG1 4.03Å; F79-V612 HydrophobicContact CD1-CG1 4.09Å; F79-V612 HydrophobicContact CD2-CG1 4.39Å; F79-V612 HydrophobicContact CG-CG1 3.89Å; E608-V612 PolarHBondContact O-N 3.11Å; T609-V612 PolarHBondContact O-N 3.24Å; V612-Y615 PolarHBondContact O-N 3.22Å; V612-S616 WeakPolarHBondContact O-CB 3.36Å; V612-S616 PolarHBondContact O-N 3.2Å; V612-I648 HydrophobicContact CG1-CB 4.19Å; V612-I648 HydrophobicContact CG1-CG2 4.01Å
613	L	96.4	Very high	93.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-67.6	-41.6	177.4	-175.9	59.5	0	0	0	111.9	V561 F604 T609 Y615 S616 V617 I648 L659 I662	V561-L613 HydrophobicContact CB-CD2 4.41Å; V561-L613 HydrophobicContact CG1-CD2 4.49Å; V561-L613 HydrophobicContact CG1-CG 4.45Å; V561-L613 HydrophobicContact CG2-CD2 4.28Å; F604-L613 HydrophobicContact CE1-CD2 3.85Å; F604-L613 HydrophobicContact CZ-CD2 3.75Å; T609-L613 WeakPolarHBondContact O-CB 3.34Å; T609-L613 PolarHBondContact O-N 3.12Å; L613-Y615 VanDerWaalsContact C-N 3.34Å; L613-Y615 PolarHBondContact O-N 2.97Å; L613-S616 VanDerWaalsContact O-CB 3.3Å; L613-S616 WeakPolarHBondContact O-CB 3.47Å; L613-S616 PolarHBondContact O-N 3.05Å; L613-S616 VanDerWaalsContact O-N 3.16Å; L613-V617 WeakPolarHBondContact O-CG2 3.49Å; L613-V617 PolarHBondContact O-N 3.31Å; L613-I648 HydrophobicContact CB-CD1 4.39Å; L613-I648 HydrophobicContact CD1-CD1 4.44Å; L613-L659 HydrophobicContact CD1-CD2 3.83Å; L613-I662 HydrophobicContact CD1-CD1 4.32Å; L613-I662 HydrophobicContact CD2-CD1 4.07Å; L613-I662 HydrophobicContact CG-CD1 4.45Å
614	A	96.2	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-41.8	175.2	0	0	0	0	0	112	V561 L565 M585 F588 V610 E611 V617 L618	V561-A614 HydrophobicContact CG1-CB 4.31Å; L565-A614 HydrophobicContact CD2-CB 4.28Å; L565-A614 WeakPolarHBondContact CD2-O 3.47Å; M585-A614 HydrophobicContact SD-CB 3.74Å; F588-A614 HydrophobicContact CD1-CB 3.8Å; F588-A614 HydrophobicContact CE1-CB 3.72Å; V610-A614 VanDerWaalsContact O-CB 3.23Å; V610-A614 WeakPolarHBondContact O-CB 3.38Å; V610-A614 PolarHBondContact O-N 2.83Å; E611-A614 PolarHBondContact O-N 3.27Å; A614-V617 PolarHBondContact O-N 3.21Å; A614-L618 PolarHBondContact O-N 3.06Å; A614-L618 VanDerWaalsContact O-N 3.09Å
615	Y	93.6	Very high	93.5	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.027	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-40.1	173.2	-159.2	-78	0	0	0	112	L76 V80 F183 I581 A582 M585 E611 V612 L613 L618 L619	L76-Y615 HydrophobicContact CD1-CD1 4.06Å; L76-Y615 HydrophobicContact CD1-CD2 4.09Å; L76-Y615 HydrophobicContact CD1-CG 3.77Å; L76-Y615 HydrophobicContact CD2-CD2 4.3Å; L76-Y615 HydrophobicContact CD2-CE2 4.49Å; V80-Y615 HydrophobicContact CG2-CD1 4.21Å; V80-Y615 HydrophobicContact CG2-CE1 3.69Å; F183-Y615 HydrophobicContact CE2-CE1 4.11Å; F183-Y615 AromaticContact CE2-CZ 3.99Å; F183-Y615 VanDerWaalsContact CE2-OH 3.3Å; F183-Y615 WeakPolarHBondContact CE2-OH 3.42Å; F183-Y615 AromaticContact CZ-CE1 3.87Å; F183-Y615 HydrophobicContact CZ-CE1 3.87Å; F183-Y615 AromaticContact CZ-CZ 3.82Å; I581-Y615 HydrophobicContact CG2-CD2 4.29Å; I581-Y615 HydrophobicContact CG2-CE2 3.92Å; A582-Y615 HydrophobicContact CB-CE2 4.27Å; M585-Y615 HydrophobicContact CG-CD2 3.86Å; M585-Y615 HydrophobicContact CG-CG 4.44Å; E611-Y615 PolarHBondContact O-N 2.88Å; V612-Y615 PolarHBondContact O-N 3.22Å; L613-Y615 VanDerWaalsContact C-N 3.34Å; L613-Y615 PolarHBondContact O-N 2.97Å; Y615-L618 PolarHBondContact O-N 3.27Å; Y615-L619 HydrophobicContact CD1-CD1 3.84Å; Y615-L619 HydrophobicContact CD1-CG 4.09Å; Y615-L619 HydrophobicContact CE1-CD1 3.87Å; Y615-L619 HydrophobicContact CE1-CD2 4.49Å; Y615-L619 HydrophobicContact CE1-CG 4.05Å; Y615-L619 PolarHBondContact O-N 3.05Å
616	S	95.2	Very high	93.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-42.4	174.9	-172.2	0	0	0	0	112.4	F79 V612 L613 L619 L620 F641 N645	F79-S616 VanDerWaalsContact CZ-CB 3.41Å; F79-S616 WeakPolarHBondContact CZ-OG 3.29Å; V612-S616 WeakPolarHBondContact O-CB 3.36Å; V612-S616 PolarHBondContact O-N 3.2Å; L613-S616 VanDerWaalsContact O-CB 3.3Å; L613-S616 WeakPolarHBondContact O-CB 3.47Å; L613-S616 PolarHBondContact O-N 3.05Å; L613-S616 VanDerWaalsContact O-N 3.16Å; S616-L619 WeakPolarHBondContact O-CB 3.48Å; S616-L619 PolarHBondContact O-N 3.34Å; S616-L620 WeakPolarHBondContact O-CB 3.38Å; S616-L620 PolarHBondContact O-N 2.97Å; S616-F641 WeakPolarHBondContact OG-CE2 3.42Å; S616-N645 VanDerWaalsContact CB-OD1 3.28Å; S616-N645 WeakPolarHBondContact CB-OD1 3.41Å; S616-N645 VanDerWaalsContact OG-CG 3.31Å; S616-N645 PolarHBondContact OG-ND2 3.25Å; S616-N645 VanDerWaalsContact OG-ND2 3.17Å; S616-N645 PolarHBondContact OG-OD1 3.37Å
617	V	96	Very high	92.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64	-40.8	175.6	170	0	0	0	0	111.8	D562 L565 L613 A614 L620 H621 F641 I662 I666 F671	D562-V617 HydrophobicContact CB-CG1 3.92Å; D562-V617 HydrophobicContact CB-CG2 4.32Å; L565-V617 HydrophobicContact CD2-CB 4.17Å; L565-V617 HydrophobicContact CD2-CG1 3.94Å; L613-V617 WeakPolarHBondContact O-CG2 3.49Å; L613-V617 PolarHBondContact O-N 3.31Å; A614-V617 PolarHBondContact O-N 3.21Å; V617-L620 PolarHBondContact O-N 3.07Å; V617-H621 WeakPolarHBondContact O-CB 3.39Å; V617-H621 PolarHBondContact O-N 2.91Å; V617-F641 HydrophobicContact CG2-CZ 4.44Å; V617-I662 HydrophobicContact CG2-CG2 3.57Å; V617-I666 HydrophobicContact CG1-CD1 3.68Å; V617-I666 HydrophobicContact CG1-CG1 4.06Å; V617-F671 HydrophobicContact CG1-CE2 4.15Å; V617-F671 HydrophobicContact CG1-CZ 3.69Å
618	L	92.1	Very high	92.1	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.037	9%	0.085	C	C	.	.	H	α-helix	trans	-69.2	-33.3	176.8	-175.1	59.2	0	0	0	112.6	I569 I581 M585 A614 Y615 T622 F671	I569-L618 HydrophobicContact CD1-CD1 4.11Å; I581-L618 HydrophobicContact CG2-CD2 3.57Å; M585-L618 HydrophobicContact CE-CD2 4.03Å; A614-L618 PolarHBondContact O-N 3.06Å; A614-L618 VanDerWaalsContact O-N 3.09Å; Y615-L618 PolarHBondContact O-N 3.27Å; L618-T622 PolarHBondContact O-N 2.93Å; L618-T622 VanDerWaalsContact O-N 3.17Å; L618-T622 PolarHBondContact O-OG1 3.44Å; L618-F671 HydrophobicContact CD1-CD2 4.31Å; L618-F671 HydrophobicContact CD1-CE2 4.39Å
619	L	91.7	Very high	91.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.7	-47.1	169.8	-77.7	175.3	0	0	0	111.8	F79 F83 W182 F183 Y615 S616 H621 T622 D623	F79-L619 HydrophobicContact CE1-CD1 3.91Å; F79-L619 HydrophobicContact CZ-CD1 4.48Å; F83-L619 HydrophobicContact CB-CD1 4.32Å; F83-L619 HydrophobicContact CD1-CD1 3.96Å; F83-L619 HydrophobicContact CD1-CD2 4.44Å; F83-L619 HydrophobicContact CD2-CB 4.36Å; F83-L619 HydrophobicContact CD2-CD1 3.91Å; F83-L619 HydrophobicContact CE1-CB 4.13Å; F83-L619 HydrophobicContact CE1-CD1 4.26Å; F83-L619 HydrophobicContact CE1-CD2 4.23Å; F83-L619 HydrophobicContact CE1-CG 4.47Å; F83-L619 HydrophobicContact CE2-CB 3.81Å; F83-L619 HydrophobicContact CE2-CD1 4.2Å; F83-L619 HydrophobicContact CG-CD1 3.8Å; F83-L619 HydrophobicContact CZ-CB 3.7Å; F83-L619 HydrophobicContact CZ-CD1 4.39Å; F83-L619 HydrophobicContact CZ-CG 4.48Å; W182-L619 HydrophobicContact CH2-CD2 4.29Å; W182-L619 HydrophobicContact CZ3-CD2 3.75Å; F183-L619 HydrophobicContact CE1-CD2 4.4Å; F183-L619 HydrophobicContact CE2-CD2 3.69Å; F183-L619 HydrophobicContact CZ-CD2 3.44Å; F183-L619 VanDerWaalsContact CZ-CD2 3.44Å; F183-L619 HydrophobicContact CZ-CG 4.14Å; Y615-L619 HydrophobicContact CD1-CD1 3.84Å; Y615-L619 HydrophobicContact CD1-CG 4.09Å; Y615-L619 HydrophobicContact CE1-CD1 3.87Å; Y615-L619 HydrophobicContact CE1-CD2 4.49Å; Y615-L619 HydrophobicContact CE1-CG 4.05Å; Y615-L619 PolarHBondContact O-N 3.05Å; S616-L619 WeakPolarHBondContact O-CB 3.48Å; S616-L619 PolarHBondContact O-N 3.34Å; L619-H621 PolarHBondContact O-N 2.76Å; L619-T622 PolarHBondContact O-N 2.79Å; L619-D623 WeakPolarHBondContact O-CB 3.37Å; L619-D623 PolarHBondContact O-N 2.68Å
620	L	94.9	Very high	90.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56.1	-48.6	174.4	168.9	70	0	0	0	111.7	S616 V617 T622 D623 L624 M636 F641 I662 Y663 I666	S616-L620 WeakPolarHBondContact O-CB 3.38Å; S616-L620 PolarHBondContact O-N 2.97Å; V617-L620 PolarHBondContact O-N 3.07Å; L620-T622 VanDerWaalsContact C-N 3.27Å; L620-T622 PolarHBondContact O-N 3.38Å; L620-D623 PolarHBondContact O-N 2.84Å; L620-L624 HydrophobicContact CD1-CD1 3.82Å; L620-L624 HydrophobicContact CD1-CD2 4.47Å; L620-L624 HydrophobicContact CD1-CG 3.9Å; L620-L624 HydrophobicContact CG-CD1 4.36Å; L620-L624 WeakPolarHBondContact O-CG 3.43Å; L620-L624 PolarHBondContact O-N 2.74Å; L620-M636 HydrophobicContact CB-CE 3.92Å; L620-M636 HydrophobicContact CD1-CE 3.55Å; L620-M636 HydrophobicContact CG-CE 4.35Å; L620-F641 HydrophobicContact CB-CD2 4Å; L620-F641 HydrophobicContact CB-CE2 3.83Å; L620-F641 HydrophobicContact CD1-CD2 4.09Å; L620-F641 HydrophobicContact CD1-CG 4.39Å; L620-F641 HydrophobicContact CD2-CD1 4.42Å; L620-F641 HydrophobicContact CD2-CD2 3.94Å; L620-F641 HydrophobicContact CD2-CE1 4.24Å; L620-F641 HydrophobicContact CD2-CE2 3.74Å; L620-F641 HydrophobicContact CD2-CG 4.28Å; L620-F641 HydrophobicContact CD2-CZ 3.9Å; L620-F641 HydrophobicContact CG-CD2 4.22Å; L620-F641 HydrophobicContact CG-CE2 4.26Å; L620-I662 HydrophobicContact CD2-CG2 4.42Å; L620-Y663 HydrophobicContact CD1-CD2 3.58Å; L620-Y663 HydrophobicContact CD1-CE2 3.72Å; L620-Y663 HydrophobicContact CD2-CD2 4.26Å; L620-I666 HydrophobicContact CD2-CB 3.85Å; L620-I666 HydrophobicContact CD2-CG1 4.1Å; L620-I666 HydrophobicContact CD2-CG2 3.88Å; L620-I666 HydrophobicContact CG-CB 4.34Å; L620-I666 HydrophobicContact CG-CG2 3.81Å
621	H	93.2	Very high	89.1	Confident	11 Å²	11	23.5 Å²	23.5	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-53.4	-46.2	175.5	168	-95.6	0	0	0	111.7	V617 L619 H625 I666 F671	V617-H621 WeakPolarHBondContact O-CB 3.39Å; V617-H621 PolarHBondContact O-N 2.91Å; L619-H621 PolarHBondContact O-N 2.76Å; H621-H625 AromaticContact CD2-CD2 3.62Å; H621-H625 WeakPolarHBondContact O-CB 3.42Å; H621-H625 PolarHBondContact O-CD2 2.88Å; H621-H625 PolarHBondContact O-N 2.84Å; H621-I666 HydrophobicContact CB-CG2 4.14Å; H621-F671 HydrophobicContact CB-CD2 3.89Å; H621-F671 HydrophobicContact CB-CE2 3.97Å; H621-F671 AromaticContact CD2-CD2 3.69Å; H621-F671 AromaticContact CD2-CG 3.72Å; H621-F671 PolarHBondContact CD2-N 3.45Å; H621-F671 AromaticContact CG-CD2 3.52Å; H621-F671 AromaticContact ND1-CD2 3.95Å; H621-F671 PolarHBondContact NE2-N 3.47Å
622	T	89.2	Confident	87.9	Confident	6 Å²	6	27.2 Å²	27.2	4%	0.037	15%	0.147	C	C	.	.	H	α-helix	trans	-69.6	-38.7	-179.4	-51.4	0	0	0	0	111.9	W182 N186 V187 L618 L619 L620 N626	W182-T622 HydrophobicContact CE3-CG2 4.49Å; W182-T622 HydrophobicContact CH2-CG2 3.4Å; W182-T622 VanDerWaalsContact CH2-CG2 3.4Å; W182-T622 HydrophobicContact CZ2-CG2 4.15Å; W182-T622 HydrophobicContact CZ3-CG2 3.59Å; N186-T622 HydrophobicContact CB-CG2 4.12Å; V187-T622 HydrophobicContact CG2-CG2 3.58Å; V187-T622 WeakPolarHBondContact CG2-OG1 3.45Å; L618-T622 PolarHBondContact O-N 2.93Å; L618-T622 VanDerWaalsContact O-N 3.17Å; L618-T622 PolarHBondContact O-OG1 3.44Å; L619-T622 PolarHBondContact O-N 2.79Å; L620-T622 VanDerWaalsContact C-N 3.27Å; L620-T622 PolarHBondContact O-N 3.38Å; T622-N626 HydrophobicContact CG2-CB 4.48Å; T622-N626 WeakPolarHBondContact O-CB 3.38Å; T622-N626 PolarHBondContact O-N 2.69Å
623	D	91.3	Very high	86.9	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-64.3	-42.9	176.4	-176.3	86.7	0	0	0	112.2	L619 L620 V629 R635 M636	L619-D623 WeakPolarHBondContact O-CB 3.37Å; L619-D623 PolarHBondContact O-N 2.68Å; L620-D623 PolarHBondContact O-N 2.84Å; D623-V629 WeakPolarHBondContact OD1-CG1 3.34Å; D623-R635 WeakPolarHBondContact O-CD 3.43Å; D623-R635 PolarHBondContact O-NH1 3.2Å; D623-M636 HydrophobicContact CB-CE 4.36Å; D623-M636 WeakPolarHBondContact OD2-CB 3.44Å; D623-M636 PolarHBondContact OD2-N 2.89Å
624	L	92.6	Very high	86.3	Confident	22 Å²	22	36.9 Å²	36.9	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-76.1	-48.3	-178.7	-64.4	-170.2	0	0	0	113	L620 R635 Y663 I666 A667	L620-L624 HydrophobicContact CD1-CD1 3.82Å; L620-L624 HydrophobicContact CD1-CD2 4.47Å; L620-L624 HydrophobicContact CD1-CG 3.9Å; L620-L624 HydrophobicContact CG-CD1 4.36Å; L620-L624 WeakPolarHBondContact O-CG 3.43Å; L620-L624 PolarHBondContact O-N 2.74Å; L624-R635 HydrophobicContact CD2-CB 4.15Å; L624-R635 PolarHBondContact O-NE 2.69Å; L624-R635 PolarHBondContact O-NH1 2.83Å; L624-R635 PolarHBondContact O-NH2 2.9Å; L624-Y663 HydrophobicContact CD1-CE2 4.34Å; L624-I666 HydrophobicContact CD1-CG2 4.44Å; L624-A667 HydrophobicContact CD1-CB 3.73Å
625	H	90.5	Very high	85.9	Confident	55 Å²	55	40.6 Å²	40.6	26%	0.255	21%	0.214	S	C	.	.	H	α-helix	trans	-94.9	-19.1	-166.2	-64.3	-63.7	0	0	0	115.1	H621 P627 I666 E670	H621-H625 AromaticContact CD2-CD2 3.62Å; H621-H625 WeakPolarHBondContact O-CB 3.42Å; H621-H625 PolarHBondContact O-CD2 2.88Å; H621-H625 PolarHBondContact O-N 2.84Å; H625-P627 WeakPolarHBondContact O-CD 3.19Å; H625-I666 PolarHBondContact NE2-O 2.89Å; H625-E670 HydrophobicContact CB-CB 4.08Å
626	N	86.4	Confident	85.7	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.053	21%	0.213	C	C	.	.			trans	-71.3	125.5	179.1	-173.7	-55.9	0	0	0	111.5	N186 T622 N628 V629 R635	N186-N626 WeakPolarHBondContact CA-ND2 3.25Å; N186-N626 WeakPolarHBondContact CB-ND2 3.26Å; N186-N626 PolarHBondContact O-ND2 2.88Å; T622-N626 HydrophobicContact CG2-CB 4.48Å; T622-N626 WeakPolarHBondContact O-CB 3.38Å; T622-N626 PolarHBondContact O-N 2.69Å; N626-N628 PolarHBondContact O-N 2.69Å; N626-N628 WeakPolarHBondContact OD1-CA 3.33Å; N626-N628 WeakPolarHBondContact OD1-CB 3.47Å; N626-N628 PolarHBondContact OD1-N 2.77Å; N626-N628 PolarHBondContact OD1-ND2 3.16Å; N626-V629 HydrophobicContact CB-CG2 4.23Å; N626-V629 PolarHBondContact O-N 3.41Å; N626-R635 PolarHBondContact O-NH1 2.83Å; N626-R635 PolarHBondContact O-NH2 3.08Å; N626-R635 VanDerWaalsContact O-NH2 3.14Å
627	P	84.2	Confident	85.7	Confident	71 Å²	71	43.1 Å²	43.1	46%	0.461	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.3	-178.3	29	-36.6	0	0	0	115.3	H625 K631	H625-P627 WeakPolarHBondContact O-CD 3.19Å; P627-K631 WeakPolarHBondContact O-CD 3.44Å; P627-K631 WeakPolarHBondContact O-CE 3.27Å; P627-K631 WeakPolarHBondContact O-CG 3.32Å
628	N	79.7	Confident	85.7	Confident	45 Å²	45	45.6 Å²	45.6	24%	0.241	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-37.6	174.8	-59	-27.7	0	0	0	112.3	N186 N626 K631 M632	N186-N628 PolarHBondContact OD1-ND2 3Å; N626-N628 PolarHBondContact O-N 2.69Å; N626-N628 WeakPolarHBondContact OD1-CA 3.33Å; N626-N628 WeakPolarHBondContact OD1-CB 3.47Å; N626-N628 PolarHBondContact OD1-N 2.77Å; N626-N628 PolarHBondContact OD1-ND2 3.16Å; N628-K631 WeakPolarHBondContact O-CB 3.26Å; N628-K631 PolarHBondContact O-N 2.85Å; N628-M632 PolarHBondContact O-N 3.46Å
629	V	75.9	Confident	85.8	Confident	14 Å²	14	50 Å²	50	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-64.9	-45.5	-174.6	172.6	0	0	0	0	110.5	W182 D623 N626 K631 M632 G633	W182-V629 HydrophobicContact CZ2-CG2 3.89Å; D623-V629 WeakPolarHBondContact OD1-CG1 3.34Å; N626-V629 HydrophobicContact CB-CG2 4.23Å; N626-V629 PolarHBondContact O-N 3.41Å; V629-K631 PolarHBondContact O-N 2.84Å; V629-M632 PolarHBondContact O-N 3.15Å; V629-G633 PolarHBondContact O-N 2.94Å
630	G	70.9	Confident	86	Confident	40 Å²	40	50.5 Å²	50.5	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-5.3	173.2	0	0	0	0	0	115.8
631	K	72.5	Confident	86	Confident	168 Å²	168	50.5 Å²	50.5	73%	0.73	27%	0.267	S	S	*	.	H	α-helix	trans	-97.9	-14.9	169.1	-63.1	173.4	-175.7	174.7	0	112.9	P627 N628 V629	P627-K631 WeakPolarHBondContact O-CD 3.44Å; P627-K631 WeakPolarHBondContact O-CE 3.27Å; P627-K631 WeakPolarHBondContact O-CG 3.32Å; N628-K631 WeakPolarHBondContact O-CB 3.26Å; N628-K631 PolarHBondContact O-N 2.85Å; V629-K631 PolarHBondContact O-N 2.84Å
632	M	68.9	Low	86.2	Confident	104 Å²	104	50.6 Å²	50.6	51%	0.512	27%	0.268	S	S	.	.	H	α-helix	trans	-105	-17.1	-177.1	-68.9	-177.7	173.8	0	0	113	P89 N628 V629	P89-M632 HydrophobicContact CG-CB 4.42Å; N628-M632 PolarHBondContact O-N 3.46Å; V629-M632 PolarHBondContact O-N 3.15Å
633	G	73.7	Confident	86.4	Confident	43 Å²	43	53.3 Å²	53.3	44%	0.443	28%	0.282	S	S	.	.	S	Bend	trans	-178.9	-174.3	177	0	0	0	0	0	113.5	V629	V629-G633 PolarHBondContact O-N 2.94Å
634	K	83.4	Confident	86.5	Confident	169 Å²	169	53.4 Å²	53.4	74%	0.735	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-74.1	131.1	172.6	-173	-178.5	177.9	177.5	0	109.4
635	R	88.2	Confident	86.6	Confident	77 Å²	77	52.3 Å²	52.3	29%	0.291	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-51.9	145.6	169.7	-55.7	-67.3	-167.7	-176.7	4	110.8	D623 L624 N626 T637	D623-R635 WeakPolarHBondContact O-CD 3.43Å; D623-R635 PolarHBondContact O-NH1 3.2Å; L624-R635 HydrophobicContact CD2-CB 4.15Å; L624-R635 PolarHBondContact O-NE 2.69Å; L624-R635 PolarHBondContact O-NH1 2.83Å; L624-R635 PolarHBondContact O-NH2 2.9Å; N626-R635 PolarHBondContact O-NH1 2.83Å; N626-R635 PolarHBondContact O-NH2 3.08Å; N626-R635 VanDerWaalsContact O-NH2 3.14Å; R635-T637 PolarHBondContact O-N 2.84Å
636	M	89.7	Confident	86.8	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.6	124.8	170.3	177.3	170.7	47.8	0	0	109.9	F83 F87 L620 D623 F641 N644 Y663	F83-M636 HydrophobicContact CE2-CE 3.59Å; F83-M636 HydrophobicContact CE2-SD 3.79Å; F83-M636 HydrophobicContact CZ-CE 3.77Å; F83-M636 HydrophobicContact CZ-SD 4.27Å; F87-M636 HydrophobicContact CD1-CB 4.26Å; F87-M636 HydrophobicContact CD2-SD 4.49Å; F87-M636 HydrophobicContact CE1-CB 3.87Å; F87-M636 HydrophobicContact CE1-CG 4.25Å; F87-M636 HydrophobicContact CE2-CB 4.38Å; F87-M636 HydrophobicContact CE2-CG 4.05Å; F87-M636 HydrophobicContact CE2-SD 4.1Å; F87-M636 HydrophobicContact CZ-CB 3.94Å; F87-M636 HydrophobicContact CZ-CG 3.79Å; F87-M636 HydrophobicContact CZ-SD 4.46Å; L620-M636 HydrophobicContact CB-CE 3.92Å; L620-M636 HydrophobicContact CD1-CE 3.55Å; L620-M636 HydrophobicContact CG-CE 4.35Å; D623-M636 HydrophobicContact CB-CE 4.36Å; D623-M636 WeakPolarHBondContact OD2-CB 3.44Å; D623-M636 PolarHBondContact OD2-N 2.89Å; M636-F641 HydrophobicContact CE-CB 4.46Å; M636-F641 HydrophobicContact CE-CD2 4Å; M636-F641 HydrophobicContact CG-CB 4.28Å; M636-F641 HydrophobicContact SD-CB 3.98Å; M636-F641 HydrophobicContact SD-CD2 4.21Å; M636-N644 PolarHBondContact SD-ND2 3.39Å; M636-Y663 PolarHBondContact O-OH 2.99Å; M636-Y663 VanDerWaalsContact O-OH 3.11Å
637	T	94.2	Very high	87	Confident	60 Å²	60	55.7 Å²	55.7	37%	0.368	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-80.7	164.8	175.6	59.7	0	0	0	0	111	R635 Q639 G640 F641 Y663	R635-T637 PolarHBondContact O-N 2.84Å; T637-Q639 VanDerWaalsContact C-N 3.32Å; T637-Q639 PolarHBondContact O-N 3.34Å; T637-G640 CarbonylContact O-C 3.55Å; T637-G640 VanDerWaalsContact O-CA 3.29Å; T637-G640 WeakPolarHBondContact O-CA 3.43Å; T637-G640 PolarHBondContact O-N 3.05Å; T637-G640 PolarHBondContact OG1-N 3.5Å; T637-F641 PolarHBondContact O-N 2.75Å; T637-Y663 VanDerWaalsContact C-CE2 3.5Å
638	K	96	Very high	87.4	Confident	53 Å²	53	53 Å²	53	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-46	-52.5	171.4	-179.1	177.4	-106.9	-162.4	0	112.5	G640 F641 I642 E660 Y663 D664	K638-G640 VanDerWaalsContact C-N 3.3Å; K638-G640 PolarHBondContact O-N 2.88Å; K638-F641 WeakPolarHBondContact O-CB 3.14Å; K638-F641 PolarHBondContact O-N 3.45Å; K638-F641 VanDerWaalsContact O-N 3.15Å; K638-I642 HydrophobicContact CG-CD1 4.28Å; K638-I642 WeakPolarHBondContact O-CG1 3.49Å; K638-I642 PolarHBondContact O-N 2.69Å; K638-E660 HydrophobicContact CD-CB 4.3Å; K638-E660 VanDerWaalsContact CD-CD 3.48Å; K638-E660 HydrophobicContact CD-CG 3.73Å; K638-E660 WeakPolarHBondContact CD-OE2 3.29Å; K638-E660 VanDerWaalsContact CE-OE2 3.3Å; K638-E660 WeakPolarHBondContact CE-OE2 3.45Å; K638-E660 HydrophobicContact CG-CG 3.92Å; K638-E660 IonicContact NZ-OE2 2.77Å; K638-E660 PolarHBondContact NZ-OE2 3Å; K638-Y663 HydrophobicContact CB-CD1 3.74Å; K638-Y663 HydrophobicContact CB-CD2 4.38Å; K638-Y663 HydrophobicContact CB-CE1 3.8Å; K638-Y663 HydrophobicContact CB-CE2 4.41Å; K638-Y663 HydrophobicContact CB-CG 4.05Å; K638-Y663 HydrophobicContact CG-CD1 4.09Å; K638-Y663 HydrophobicContact CG-CG 4.25Å; K638-Y663 VanDerWaalsContact N-CE2 3.35Å; K638-Y663 VanDerWaalsContact N-CZ 3.28Å; K638-Y663 PolarHBondContact N-OH 3.43Å; K638-D664 VanDerWaalsContact CE-CG 3.49Å; K638-D664 WeakPolarHBondContact CE-OD1 3.36Å; K638-D664 VanDerWaalsContact CE-OD2 3.29Å; K638-D664 WeakPolarHBondContact CE-OD2 3.44Å; K638-D664 IonicContact NZ-OD1 2.65Å; K638-D664 PolarHBondContact NZ-OD1 3.39Å; K638-D664 IonicContact NZ-OD2 2.77Å; K638-D664 PolarHBondContact NZ-OD2 3.26Å
639	Q	95.8	Very high	88.1	Confident	99 Å²	99	51 Å²	51	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-32.2	175.1	-169	62.2	64.5	0	0	113.6	T637 N643	T637-Q639 VanDerWaalsContact C-N 3.32Å; T637-Q639 PolarHBondContact O-N 3.34Å; Q639-N643 PolarHBondContact NE2-OD1 3.32Å; Q639-N643 VanDerWaalsContact O-CB 3.25Å; Q639-N643 WeakPolarHBondContact O-CB 3.42Å; Q639-N643 PolarHBondContact O-N 3.14Å; Q639-N643 PolarHBondContact O-ND2 3.31Å
640	G	94.2	Very high	88.7	Confident	11 Å²	11	52.5 Å²	52.5	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-40.2	173.1	0	0	0	0	0	112.5	T637 K638 N643 N644	T637-G640 CarbonylContact O-C 3.55Å; T637-G640 VanDerWaalsContact O-CA 3.29Å; T637-G640 WeakPolarHBondContact O-CA 3.43Å; T637-G640 PolarHBondContact O-N 3.05Å; T637-G640 PolarHBondContact OG1-N 3.5Å; K638-G640 VanDerWaalsContact C-N 3.3Å; K638-G640 PolarHBondContact O-N 2.88Å; G640-N643 PolarHBondContact O-N 3.2Å; G640-N644 WeakPolarHBondContact O-CB 3.5Å; G640-N644 PolarHBondContact O-N 2.94Å
641	F	95.8	Very high	89.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-46.7	173.9	-178.4	-110.2	0	0	0	111.4	S616 V617 L620 M636 T637 K638 N643 N644 N645 L659 I662 Y663	S616-F641 WeakPolarHBondContact OG-CE2 3.42Å; V617-F641 HydrophobicContact CG2-CZ 4.44Å; L620-F641 HydrophobicContact CB-CD2 4Å; L620-F641 HydrophobicContact CB-CE2 3.83Å; L620-F641 HydrophobicContact CD1-CD2 4.09Å; L620-F641 HydrophobicContact CD1-CG 4.39Å; L620-F641 HydrophobicContact CD2-CD1 4.42Å; L620-F641 HydrophobicContact CD2-CD2 3.94Å; L620-F641 HydrophobicContact CD2-CE1 4.24Å; L620-F641 HydrophobicContact CD2-CE2 3.74Å; L620-F641 HydrophobicContact CD2-CG 4.28Å; L620-F641 HydrophobicContact CD2-CZ 3.9Å; L620-F641 HydrophobicContact CG-CD2 4.22Å; L620-F641 HydrophobicContact CG-CE2 4.26Å; M636-F641 HydrophobicContact CE-CB 4.46Å; M636-F641 HydrophobicContact CE-CD2 4Å; M636-F641 HydrophobicContact CG-CB 4.28Å; M636-F641 HydrophobicContact SD-CB 3.98Å; M636-F641 HydrophobicContact SD-CD2 4.21Å; T637-F641 PolarHBondContact O-N 2.75Å; K638-F641 WeakPolarHBondContact O-CB 3.14Å; K638-F641 PolarHBondContact O-N 3.45Å; K638-F641 VanDerWaalsContact O-N 3.15Å; F641-N643 PolarHBondContact O-N 3.03Å; F641-N644 PolarHBondContact O-N 3.25Å; F641-N645 WeakPolarHBondContact CD2-ND2 3.2Å; F641-N645 WeakPolarHBondContact CE2-ND2 3.42Å; F641-N645 WeakPolarHBondContact CZ-ND2 3.43Å; F641-N645 PolarHBondContact O-N 3.49Å; F641-N645 PolarHBondContact O-ND2 3.09Å; F641-L659 HydrophobicContact CD1-CB 4.4Å; F641-L659 HydrophobicContact CE1-CB 4.25Å; F641-L659 HydrophobicContact CE1-CD2 4.03Å; F641-L659 WeakPolarHBondContact CE1-O 3.28Å; F641-I662 HydrophobicContact CE1-CB 4.4Å; F641-I662 HydrophobicContact CE1-CG2 3.8Å; F641-I662 HydrophobicContact CZ-CG2 3.83Å; F641-Y663 HydrophobicContact CB-CD2 3.8Å; F641-Y663 HydrophobicContact CB-CE2 4.4Å; F641-Y663 HydrophobicContact CD1-CD2 4.37Å; F641-Y663 HydrophobicContact CG-CD2 4.19Å
642	I	96.3	Very high	90.5	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-51	173.2	-64.3	158	0	0	0	110.4	K638 N644 N645 R646 T656 L659 E660	K638-I642 HydrophobicContact CG-CD1 4.28Å; K638-I642 WeakPolarHBondContact O-CG1 3.49Å; K638-I642 PolarHBondContact O-N 2.69Å; I642-N644 VanDerWaalsContact C-N 3.32Å; I642-N644 PolarHBondContact O-N 3.34Å; I642-N645 PolarHBondContact O-N 3.18Å; I642-N645 VanDerWaalsContact O-N 3.1Å; I642-R646 PolarHBondContact O-N 2.73Å; I642-T656 HydrophobicContact CD1-CG2 3.87Å; I642-T656 HydrophobicContact CG1-CG2 4.5Å; I642-L659 HydrophobicContact CG1-CB 4.08Å; I642-L659 HydrophobicContact CG1-CD1 4.47Å; I642-L659 HydrophobicContact CG2-CD1 4.43Å; I642-E660 HydrophobicContact CD1-CG 3.88Å
643	N	95	Very high	91.7	Very high	63 Å²	63	52.8 Å²	52.8	34%	0.337	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-30.7	-177.8	-72.5	-12	0	0	0	113.9	Q639 G640 F641 R646	Q639-N643 PolarHBondContact NE2-OD1 3.32Å; Q639-N643 VanDerWaalsContact O-CB 3.25Å; Q639-N643 WeakPolarHBondContact O-CB 3.42Å; Q639-N643 PolarHBondContact O-N 3.14Å; Q639-N643 PolarHBondContact O-ND2 3.31Å; G640-N643 PolarHBondContact O-N 3.2Å; F641-N643 PolarHBondContact O-N 3.03Å; N643-R646 PolarHBondContact OD1-NE 3.23Å; N643-R646 PolarHBondContact OD1-NH2 3.35Å
644	N	92.7	Very high	92.7	Very high	5 Å²	5	51 Å²	51	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-36.4	173.4	-83.5	-14	0	0	0	112.4	F79 F83 F87 M636 G640 F641 I642 R646	F79-N644 HydrophobicContact CE2-CB 4.45Å; F83-N644 WeakPolarHBondContact CD2-ND2 3.33Å; F87-N644 VanDerWaalsContact CE2-ND2 3.28Å; F87-N644 WeakPolarHBondContact CE2-ND2 3.35Å; M636-N644 PolarHBondContact SD-ND2 3.39Å; G640-N644 WeakPolarHBondContact O-CB 3.5Å; G640-N644 PolarHBondContact O-N 2.94Å; F641-N644 PolarHBondContact O-N 3.25Å; I642-N644 VanDerWaalsContact C-N 3.32Å; I642-N644 PolarHBondContact O-N 3.34Å; N644-R646 VanDerWaalsContact C-N 3.35Å
645	N	95	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	7	-177.4	-70.2	-66.5	0	0	0	114.2	S616 F641 I642 I648 L659	S616-N645 VanDerWaalsContact CB-OD1 3.28Å; S616-N645 WeakPolarHBondContact CB-OD1 3.41Å; S616-N645 VanDerWaalsContact OG-CG 3.31Å; S616-N645 PolarHBondContact OG-ND2 3.25Å; S616-N645 VanDerWaalsContact OG-ND2 3.17Å; S616-N645 PolarHBondContact OG-OD1 3.37Å; F641-N645 WeakPolarHBondContact CD2-ND2 3.2Å; F641-N645 WeakPolarHBondContact CE2-ND2 3.42Å; F641-N645 WeakPolarHBondContact CZ-ND2 3.43Å; F641-N645 PolarHBondContact O-N 3.49Å; F641-N645 PolarHBondContact O-ND2 3.09Å; I642-N645 PolarHBondContact O-N 3.18Å; I642-N645 VanDerWaalsContact O-N 3.1Å; N645-I648 HydrophobicContact CB-CD1 4.06Å; N645-I648 WeakPolarHBondContact O-CG1 3.34Å; N645-I648 WeakPolarHBondContact O-CG2 3.39Å; N645-L659 HydrophobicContact CB-CD1 4.04Å; N645-L659 HydrophobicContact CB-CD2 4.2Å
646	R	94.1	Very high	93.6	Very high	110 Å²	110	45.5 Å²	45.5	42%	0.415	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	135.4	176.8	-69.1	-172.5	-171	-127.9	8.6	113	R82 I642 N643 N644 I648 D653	R82-R646 PolarHBondContact NH1-O 2.99Å; I642-R646 PolarHBondContact O-N 2.73Å; N643-R646 PolarHBondContact OD1-NE 3.23Å; N643-R646 PolarHBondContact OD1-NH2 3.35Å; N644-R646 VanDerWaalsContact C-N 3.35Å; R646-I648 VanDerWaalsContact C-N 3.32Å; R646-I648 PolarHBondContact O-N 3.41Å; R646-D653 VanDerWaalsContact C-OD1 3.28Å; R646-D653 WeakPolarHBondContact CA-OD1 3.48Å; R646-D653 WeakPolarHBondContact CB-OD1 3.2Å; R646-D653 IonicContact NH1-OD2 3.51Å
647	G	92	Very high	93.9	Very high	26 Å²	26	52 Å²	52	27%	0.268	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	18	177.7	0	0	0	0	0	115.1	D651 H652 D653	G647-D651 PolarHBondContact O-N 3.28Å; G647-H652 CarbonylContact C-O 3.58Å; G647-H652 WeakPolarHBondContact CA-O 3.37Å; G647-H652 PolarHBondContact N-O 3.34Å; G647-D653 PolarHBondContact N-OD1 3.05Å
648	I	92.5	Very high	94	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.077	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.1	177.6	66.7	175.1	0	0	0	112.8	F79 T609 V612 L613 N645 R646 S650 H652 V654	F79-I648 HydrophobicContact CD2-CG2 4.13Å; T609-I648 HydrophobicContact CG2-CD1 4.24Å; T609-I648 HydrophobicContact CG2-CG1 4.08Å; V612-I648 HydrophobicContact CG1-CB 4.19Å; V612-I648 HydrophobicContact CG1-CG2 4.01Å; L613-I648 HydrophobicContact CB-CD1 4.39Å; L613-I648 HydrophobicContact CD1-CD1 4.44Å; N645-I648 HydrophobicContact CB-CD1 4.06Å; N645-I648 WeakPolarHBondContact O-CG1 3.34Å; N645-I648 WeakPolarHBondContact O-CG2 3.39Å; R646-I648 VanDerWaalsContact C-N 3.32Å; R646-I648 PolarHBondContact O-N 3.41Å; I648-S650 PolarHBondContact O-N 2.98Å; I648-H652 PolarHBondContact N-O 3.25Å; I648-V654 HydrophobicContact CD1-CG2 3.92Å; I648-V654 HydrophobicContact CG1-CG2 3.78Å
649	D	93.3	Very high	94.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.011	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-94.3	67.1	-172.6	-166.6	28.1	0	0	0	111.6	F604 H605 S606 T609 D651 H652 V654	F604-D649 WeakPolarHBondContact CA-OD2 3.19Å; H605-D649 IonicContact CE1-OD2 2.85Å; H605-D649 IonicContact CG-OD2 3.29Å; H605-D649 VanDerWaalsContact N-CG 3.31Å; H605-D649 PolarHBondContact N-OD1 3.03Å; H605-D649 PolarHBondContact N-OD2 3.44Å; H605-D649 IonicContact ND1-OD2 3.7Å; H605-D649 PolarHBondContact ND1-OD2 3.3Å; S606-D649 PolarHBondContact N-OD1 3.28Å; T609-D649 WeakPolarHBondContact CB-OD1 3.49Å; T609-D649 HydrophobicContact CG2-CB 3.78Å; T609-D649 WeakPolarHBondContact OG1-CA 3.4Å; T609-D649 PolarHBondContact OG1-OD1 3.01Å; D649-D651 PolarHBondContact O-N 2.9Å; D649-H652 HydrophobicContact CB-CB 4.46Å; D649-H652 PolarHBondContact N-O 3.01Å; D649-H652 VanDerWaalsContact N-O 3.1Å; D649-H652 WeakPolarHBondContact O-CB 3.46Å; D649-H652 PolarHBondContact O-N 3.42Å; D649-H652 VanDerWaalsContact O-N 3.1Å; D649-V654 HydrophobicContact CB-CG2 3.94Å
650	S	89.8	Confident	94.2	Very high	46 Å²	46	45.8 Å²	45.8	32%	0.322	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	60.3	-169.7	-72.3	0	0	0	0	111.6	K75 S606 I648 H652	K75-S650 PolarHBondContact NZ-OG 3.07Å; S606-S650 WeakPolarHBondContact CB-OG 3.24Å; I648-S650 PolarHBondContact O-N 2.98Å; S650-H652 PolarHBondContact O-N 3.01Å; S650-H652 PolarHBondContact O-ND1 3.18Å
651	D	87.9	Confident	94.3	Very high	132 Å²	132	46.2 Å²	46.2	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	1.7	-178.3	-57.2	-67.1	0	0	0	115.6	G647 D649	G647-D651 PolarHBondContact O-N 3.28Å; D649-D651 PolarHBondContact O-N 2.9Å
652	H	92	Very high	94.4	Very high	100 Å²	100	46.2 Å²	46.2	46%	0.463	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-89.4	158.4	166.7	-58.5	66.2	0	0	0	111.8	G647 I648 D649 S650	G647-H652 CarbonylContact C-O 3.58Å; G647-H652 WeakPolarHBondContact CA-O 3.37Å; G647-H652 PolarHBondContact N-O 3.34Å; I648-H652 PolarHBondContact N-O 3.25Å; D649-H652 HydrophobicContact CB-CB 4.46Å; D649-H652 PolarHBondContact N-O 3.01Å; D649-H652 VanDerWaalsContact N-O 3.1Å; D649-H652 WeakPolarHBondContact O-CB 3.46Å; D649-H652 PolarHBondContact O-N 3.42Å; D649-H652 VanDerWaalsContact O-N 3.1Å; S650-H652 PolarHBondContact O-N 3.01Å; S650-H652 PolarHBondContact O-ND1 3.18Å
653	D	93.6	Very high	94.5	Very high	85 Å²	85	47.3 Å²	47.3	46%	0.455	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-86.5	131.8	173.6	-77.9	-4.4	0	0	0	110.3	R646 G647	R646-D653 VanDerWaalsContact C-OD1 3.28Å; R646-D653 WeakPolarHBondContact CA-OD1 3.48Å; R646-D653 WeakPolarHBondContact CB-OD1 3.2Å; R646-D653 IonicContact NH1-OD2 3.51Å; G647-D653 PolarHBondContact N-OD1 3.05Å
654	V	94.5	Very high	94.7	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.036	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-66.2	140.3	169.3	174.8	0	0	0	0	109.2	F604 T609 I648 D649 T656 L658 L659	F604-V654 HydrophobicContact CD1-CG1 4.48Å; F604-V654 HydrophobicContact CD1-CG2 4.14Å; F604-V654 HydrophobicContact CE1-CG1 3.91Å; F604-V654 HydrophobicContact CE1-CG2 4.12Å; T609-V654 HydrophobicContact CG2-CG2 3.76Å; I648-V654 HydrophobicContact CD1-CG2 3.92Å; I648-V654 HydrophobicContact CG1-CG2 3.78Å; D649-V654 HydrophobicContact CB-CG2 3.94Å; V654-T656 PolarHBondContact O-N 2.68Å; V654-L658 HydrophobicContact CG1-CD2 3.94Å; V654-L658 HydrophobicContact CG1-CG 4.5Å; V654-L659 HydrophobicContact CB-CD1 4.22Å; V654-L659 HydrophobicContact CB-CD2 4.27Å; V654-L659 HydrophobicContact CB-CG 4.27Å; V654-L659 HydrophobicContact CG1-CD2 4.01Å; V654-L659 HydrophobicContact CG1-CG 4.05Å; V654-L659 WeakPolarHBondContact O-CD1 3.41Å
655	S	95.3	Very high	94.9	Very high	59 Å²	59	51.5 Å²	51.5	41%	0.413	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-50.6	131	-175.6	56.6	0	0	0	0	113.3	D657 L658 L659	S655-D657 VanDerWaalsContact C-N 3.32Å; S655-D657 PolarHBondContact O-N 3.24Å; S655-L658 WeakPolarHBondContact O-CB 3.31Å; S655-L658 PolarHBondContact O-N 3.24Å; S655-L658 VanDerWaalsContact O-N 3.15Å; S655-L658 WeakPolarHBondContact OG-CB 3.31Å; S655-L659 PolarHBondContact O-N 3.15Å
656	T	95.6	Very high	95	Very high	71 Å²	71	51.5 Å²	51.5	44%	0.436	28%	0.275	S	S	.	.	H	α-helix	trans	-55.3	-46.5	-174.7	-53	0	0	0	0	111.7	I642 V654 L658 L659 E660	I642-T656 HydrophobicContact CD1-CG2 3.87Å; I642-T656 HydrophobicContact CG1-CG2 4.5Å; V654-T656 PolarHBondContact O-N 2.68Å; T656-L658 VanDerWaalsContact C-N 3.27Å; T656-L658 PolarHBondContact O-N 3.41Å; T656-L659 CarbonylContact O-C 3.58Å; T656-L659 PolarHBondContact O-N 3.15Å; T656-E660 HydrophobicContact CG2-CG 4.2Å; T656-E660 WeakPolarHBondContact O-CG 3.39Å; T656-E660 PolarHBondContact O-N 3.48Å
657	D	96.3	Very high	95.1	Very high	137 Å²	137	48.2 Å²	48.2	73%	0.733	27%	0.271	S	S	*	.	H	α-helix	trans	-57.5	-38.2	-178.3	-48.1	-17.9	0	0	0	112.5	S655 G661	S655-D657 VanDerWaalsContact C-N 3.32Å; S655-D657 PolarHBondContact O-N 3.24Å; D657-G661 PolarHBondContact O-N 3.13Å
658	L	96.4	Very high	95.3	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-69.2	-43.5	176.3	177.6	59.6	0	0	0	110.9	E560 F604 V654 S655 T656 E660 I662	E560-L658 HydrophobicContact CG-CD1 3.58Å; F604-L658 HydrophobicContact CE1-CD2 4.05Å; F604-L658 HydrophobicContact CZ-CD2 3.98Å; V654-L658 HydrophobicContact CG1-CD2 3.94Å; V654-L658 HydrophobicContact CG1-CG 4.5Å; S655-L658 WeakPolarHBondContact O-CB 3.31Å; S655-L658 PolarHBondContact O-N 3.24Å; S655-L658 VanDerWaalsContact O-N 3.15Å; S655-L658 WeakPolarHBondContact OG-CB 3.31Å; T656-L658 VanDerWaalsContact C-N 3.27Å; T656-L658 PolarHBondContact O-N 3.41Å; L658-E660 VanDerWaalsContact C-N 3.33Å; L658-I662 HydrophobicContact CD1-CD1 4Å; L658-I662 HydrophobicContact CD1-CG1 4.35Å; L658-I662 HydrophobicContact CG-CD1 4Å; L658-I662 VanDerWaalsContact O-CB 3.31Å; L658-I662 WeakPolarHBondContact O-CB 3.07Å; L658-I662 WeakPolarHBondContact O-CD1 3.08Å; L658-I662 WeakPolarHBondContact O-CG1 3.29Å; L658-I662 PolarHBondContact O-N 2.96Å
659	L	97.7	Very high	95.4	Very high	4 Å²	4	53 Å²	53	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-33.9	176.5	-63.9	178.1	0	0	0	112.2	L613 F641 I642 N645 V654 S655 T656 Y663	L613-L659 HydrophobicContact CD1-CD2 3.83Å; F641-L659 HydrophobicContact CD1-CB 4.4Å; F641-L659 HydrophobicContact CE1-CB 4.25Å; F641-L659 HydrophobicContact CE1-CD2 4.03Å; F641-L659 WeakPolarHBondContact CE1-O 3.28Å; I642-L659 HydrophobicContact CG1-CB 4.08Å; I642-L659 HydrophobicContact CG1-CD1 4.47Å; I642-L659 HydrophobicContact CG2-CD1 4.43Å; N645-L659 HydrophobicContact CB-CD1 4.04Å; N645-L659 HydrophobicContact CB-CD2 4.2Å; V654-L659 HydrophobicContact CB-CD1 4.22Å; V654-L659 HydrophobicContact CB-CD2 4.27Å; V654-L659 HydrophobicContact CB-CG 4.27Å; V654-L659 HydrophobicContact CG1-CD2 4.01Å; V654-L659 HydrophobicContact CG1-CG 4.05Å; V654-L659 WeakPolarHBondContact O-CD1 3.41Å; S655-L659 PolarHBondContact O-N 3.15Å; T656-L659 CarbonylContact O-C 3.58Å; T656-L659 PolarHBondContact O-N 3.15Å; L659-Y663 WeakPolarHBondContact O-CB 3.23Å; L659-Y663 PolarHBondContact O-N 3.22Å
660	E	97.7	Very high	95.4	Very high	64 Å²	64	55.5 Å²	55.5	30%	0.299	32%	0.32	S	S	.	.	H	α-helix	trans	-70.3	-47.5	174.1	-73.3	-153.4	-170.9	0	0	112.4	K638 I642 T656 L658 I662 Y663 D664	K638-E660 HydrophobicContact CD-CB 4.3Å; K638-E660 VanDerWaalsContact CD-CD 3.48Å; K638-E660 HydrophobicContact CD-CG 3.73Å; K638-E660 WeakPolarHBondContact CD-OE2 3.29Å; K638-E660 VanDerWaalsContact CE-OE2 3.3Å; K638-E660 WeakPolarHBondContact CE-OE2 3.45Å; K638-E660 HydrophobicContact CG-CG 3.92Å; K638-E660 IonicContact NZ-OE2 2.77Å; K638-E660 PolarHBondContact NZ-OE2 3Å; I642-E660 HydrophobicContact CD1-CG 3.88Å; T656-E660 HydrophobicContact CG2-CG 4.2Å; T656-E660 WeakPolarHBondContact O-CG 3.39Å; T656-E660 PolarHBondContact O-N 3.48Å; L658-E660 VanDerWaalsContact C-N 3.33Å; E660-I662 VanDerWaalsContact C-N 3.32Å; E660-I662 PolarHBondContact O-N 3.26Å; E660-Y663 PolarHBondContact O-N 2.93Å; E660-Y663 VanDerWaalsContact O-N 3.08Å; E660-D664 PolarHBondContact O-N 3.07Å
661	G	97.4	Very high	95.5	Very high	21 Å²	21	53.7 Å²	53.7	22%	0.216	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-41	176	0	0	0	0	0	112.5	D657 R665	D657-G661 PolarHBondContact O-N 3.13Å; G661-R665 WeakPolarHBondContact O-CB 3.47Å; G661-R665 VanDerWaalsContact O-CG 3.28Å; G661-R665 WeakPolarHBondContact O-CG 3.31Å; G661-R665 PolarHBondContact O-N 3.23Å; G661-R665 VanDerWaalsContact O-N 3.08Å; G661-R665 PolarHBondContact O-NE 3.34Å
662	I	98	Very high	95.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-48.5	170.4	-74.9	168.8	0	0	0	110.8	D562 L613 V617 L620 F641 L658 E660 D664 I666	D562-I662 HydrophobicContact CB-CG1 4.23Å; D562-I662 HydrophobicContact CB-CG2 4.27Å; L613-I662 HydrophobicContact CD1-CD1 4.32Å; L613-I662 HydrophobicContact CD2-CD1 4.07Å; L613-I662 HydrophobicContact CG-CD1 4.45Å; V617-I662 HydrophobicContact CG2-CG2 3.57Å; L620-I662 HydrophobicContact CD2-CG2 4.42Å; F641-I662 HydrophobicContact CE1-CB 4.4Å; F641-I662 HydrophobicContact CE1-CG2 3.8Å; F641-I662 HydrophobicContact CZ-CG2 3.83Å; L658-I662 HydrophobicContact CD1-CD1 4Å; L658-I662 HydrophobicContact CD1-CG1 4.35Å; L658-I662 HydrophobicContact CG-CD1 4Å; L658-I662 VanDerWaalsContact O-CB 3.31Å; L658-I662 WeakPolarHBondContact O-CB 3.07Å; L658-I662 WeakPolarHBondContact O-CD1 3.08Å; L658-I662 WeakPolarHBondContact O-CG1 3.29Å; L658-I662 PolarHBondContact O-N 2.96Å; E660-I662 VanDerWaalsContact C-N 3.32Å; E660-I662 PolarHBondContact O-N 3.26Å; I662-D664 PolarHBondContact O-N 2.95Å; I662-I666 WeakPolarHBondContact O-CB 3.5Å; I662-I666 VanDerWaalsContact O-CG1 3.23Å; I662-I666 WeakPolarHBondContact O-CG1 3.49Å; I662-I666 PolarHBondContact O-N 3.4Å
663	Y	98.3	Very high	95.6	Very high	34 Å²	34	50.5 Å²	50.5	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-48.4	-179.1	-179.7	-83.9	0	0	0	111.9	L620 L624 M636 T637 K638 F641 L659 E660 I666 A667	L620-Y663 HydrophobicContact CD1-CD2 3.58Å; L620-Y663 HydrophobicContact CD1-CE2 3.72Å; L620-Y663 HydrophobicContact CD2-CD2 4.26Å; L624-Y663 HydrophobicContact CD1-CE2 4.34Å; M636-Y663 PolarHBondContact O-OH 2.99Å; M636-Y663 VanDerWaalsContact O-OH 3.11Å; T637-Y663 VanDerWaalsContact C-CE2 3.5Å; K638-Y663 HydrophobicContact CB-CD1 3.74Å; K638-Y663 HydrophobicContact CB-CD2 4.38Å; K638-Y663 HydrophobicContact CB-CE1 3.8Å; K638-Y663 HydrophobicContact CB-CE2 4.41Å; K638-Y663 HydrophobicContact CB-CG 4.05Å; K638-Y663 HydrophobicContact CG-CD1 4.09Å; K638-Y663 HydrophobicContact CG-CG 4.25Å; K638-Y663 VanDerWaalsContact N-CE2 3.35Å; K638-Y663 VanDerWaalsContact N-CZ 3.28Å; K638-Y663 PolarHBondContact N-OH 3.43Å; F641-Y663 HydrophobicContact CB-CD2 3.8Å; F641-Y663 HydrophobicContact CB-CE2 4.4Å; F641-Y663 HydrophobicContact CD1-CD2 4.37Å; F641-Y663 HydrophobicContact CG-CD2 4.19Å; L659-Y663 WeakPolarHBondContact O-CB 3.23Å; L659-Y663 PolarHBondContact O-N 3.22Å; E660-Y663 PolarHBondContact O-N 2.93Å; E660-Y663 VanDerWaalsContact O-N 3.08Å; Y663-I666 PolarHBondContact O-N 3.42Å; Y663-A667 HydrophobicContact CE1-CB 4.26Å; Y663-A667 VanDerWaalsContact O-CB 3.29Å; Y663-A667 WeakPolarHBondContact O-CB 3.47Å; Y663-A667 PolarHBondContact O-N 3.48Å
664	D	97.9	Very high	95.4	Very high	76 Å²	76	50.2 Å²	50.2	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-39.7	-176	-67.6	-25	0	0	0	111.8	K638 E660 I662 A667 A668	K638-D664 VanDerWaalsContact CE-CG 3.49Å; K638-D664 WeakPolarHBondContact CE-OD1 3.36Å; K638-D664 VanDerWaalsContact CE-OD2 3.29Å; K638-D664 WeakPolarHBondContact CE-OD2 3.44Å; K638-D664 IonicContact NZ-OD1 2.65Å; K638-D664 PolarHBondContact NZ-OD1 3.39Å; K638-D664 IonicContact NZ-OD2 2.77Å; K638-D664 PolarHBondContact NZ-OD2 3.26Å; E660-D664 PolarHBondContact O-N 3.07Å; I662-D664 PolarHBondContact O-N 2.95Å; D664-A667 PolarHBondContact O-N 3.35Å; D664-A668 VanDerWaalsContact O-CB 3.26Å; D664-A668 WeakPolarHBondContact O-CB 3.45Å; D664-A668 PolarHBondContact O-N 3.39Å
665	R	97.9	Very high	95.1	Very high	81 Å²	81	54.6 Å²	54.6	31%	0.306	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-36.3	174.9	-71.6	-174.8	-56.9	-108.6	2.9	113.1	E560 D562 R566 G661 S669	E560-R665 IonicContact OE2-CZ 2.68Å; E560-R665 IonicContact OE2-NH1 2.69Å; E560-R665 PolarHBondContact OE2-NH1 3.42Å; E560-R665 IonicContact OE2-NH2 3.13Å; E560-R665 PolarHBondContact OE2-NH2 3.1Å; D562-R665 IonicContact OD1-CZ 2.68Å; D562-R665 IonicContact OD1-NE 3.91Å; D562-R665 IonicContact OD1-NH2 3.79Å; D562-R665 PolarHBondContact OD1-NH2 3.24Å; D562-R665 IonicContact OD2-CZ 2.67Å; D562-R665 IonicContact OD2-NE 2.69Å; D562-R665 PolarHBondContact OD2-NE 2.82Å; D562-R665 IonicContact OD2-NH2 3.23Å; D562-R665 PolarHBondContact OD2-NH2 3.1Å; R566-R665 PolarHBondContact NH2-O 3.09Å; R566-R665 VanDerWaalsContact NH2-O 3.15Å; G661-R665 WeakPolarHBondContact O-CB 3.47Å; G661-R665 VanDerWaalsContact O-CG 3.28Å; G661-R665 WeakPolarHBondContact O-CG 3.31Å; G661-R665 PolarHBondContact O-N 3.23Å; G661-R665 VanDerWaalsContact O-N 3.08Å; G661-R665 PolarHBondContact O-NE 3.34Å; R665-S669 PolarHBondContact O-N 3.12Å
666	I	96.9	Very high	94.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-73.3	-40.1	175.2	-64.6	-72	0	0	0	110.5	D562 V617 L620 H621 L624 H625 I662 Y663 S669 F671	D562-I666 HydrophobicContact CB-CD1 4.26Å; D562-I666 HydrophobicContact CB-CG1 4.41Å; V617-I666 HydrophobicContact CG1-CD1 3.68Å; V617-I666 HydrophobicContact CG1-CG1 4.06Å; L620-I666 HydrophobicContact CD2-CB 3.85Å; L620-I666 HydrophobicContact CD2-CG1 4.1Å; L620-I666 HydrophobicContact CD2-CG2 3.88Å; L620-I666 HydrophobicContact CG-CB 4.34Å; L620-I666 HydrophobicContact CG-CG2 3.81Å; H621-I666 HydrophobicContact CB-CG2 4.14Å; L624-I666 HydrophobicContact CD1-CG2 4.44Å; H625-I666 PolarHBondContact NE2-O 2.89Å; I662-I666 WeakPolarHBondContact O-CB 3.5Å; I662-I666 VanDerWaalsContact O-CG1 3.23Å; I662-I666 WeakPolarHBondContact O-CG1 3.49Å; I662-I666 PolarHBondContact O-N 3.4Å; Y663-I666 PolarHBondContact O-N 3.42Å; I666-S669 CarbonylContact O-C 3.59Å; I666-S669 PolarHBondContact O-N 3.11Å; I666-F671 HydrophobicContact CD1-CD1 4.25Å; I666-F671 HydrophobicContact CD1-CE1 3.36Å; I666-F671 HydrophobicContact CD1-CE2 4.21Å; I666-F671 HydrophobicContact CD1-CZ 3.35Å
667	A	95.6	Very high	94.4	Very high	40 Å²	40	50.5 Å²	50.5	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176	0	0	0	0	0	112.5	L624 Y663 D664 S669	L624-A667 HydrophobicContact CD1-CB 3.73Å; Y663-A667 HydrophobicContact CE1-CB 4.26Å; Y663-A667 VanDerWaalsContact O-CB 3.29Å; Y663-A667 WeakPolarHBondContact O-CB 3.47Å; Y663-A667 PolarHBondContact O-N 3.48Å; D664-A667 PolarHBondContact O-N 3.35Å; A667-S669 VanDerWaalsContact C-N 3.35Å; A667-S669 PolarHBondContact O-N 3.1Å
668	A	96.5	Very high	94.1	Very high	90 Å²	90	44.3 Å²	44.3	74%	0.744	25%	0.254	S	S	*	.	H	α-helix	trans	-69.8	-25.6	179.5	0	0	0	0	0	114.1	D664	D664-A668 VanDerWaalsContact O-CB 3.26Å; D664-A668 WeakPolarHBondContact O-CB 3.45Å; D664-A668 PolarHBondContact O-N 3.39Å
669	S	94.1	Very high	93.8	Very high	53 Å²	53	46.1 Å²	46.1	37%	0.371	26%	0.264	S	S	.	.	S	Bend	trans	-152.1	114.8	-174	-174.2	0	0	0	0	113.1	R566 R665 I666 A667	R566-S669 PolarHBondContact NH1-O 3.36Å; R566-S669 PolarHBondContact NH1-OG 3.42Å; R566-S669 PolarHBondContact NH2-O 3.27Å; R665-S669 PolarHBondContact O-N 3.12Å; I666-S669 CarbonylContact O-C 3.59Å; I666-S669 PolarHBondContact O-N 3.11Å; A667-S669 VanDerWaalsContact C-N 3.35Å; A667-S669 PolarHBondContact O-N 3.1Å
670	E	93.3	Very high	93.4	Very high	54 Å²	54	49.5 Å²	49.5	25%	0.252	28%	0.278	S	S	.	.			trans	-58.1	156.1	171.3	69.2	168.7	-178.7	0	0	112	R566 H625 K672	R566-E670 PolarHBondContact NH1-O 3.48Å; H625-E670 HydrophobicContact CB-CB 4.08Å; E670-K672 HydrophobicContact CG-CD 4.33Å; E670-K672 VanDerWaalsContact CG-CE 3.48Å; E670-K672 HydrophobicContact CG-CG 3.9Å; E670-K672 PolarHBondContact O-N 3.02Å; E670-K672 WeakPolarHBondContact OE1-CE 3.39Å; E670-K672 IonicContact OE1-NZ 3.88Å
671	F	93.1	Very high	93.2	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	26%	0.264	C	S	.	.			trans	-73.9	126.3	169.4	-66.9	-31.8	0	0	0	109.3	L565 R566 I569 V617 L618 H621 I666	L565-F671 HydrophobicContact CD2-CE2 4.23Å; L565-F671 HydrophobicContact CD2-CZ 4.2Å; L565-F671 HydrophobicContact CG-CE2 4.44Å; L565-F671 HydrophobicContact CG-CZ 4.3Å; R566-F671 HydrophobicContact CB-CD1 3.99Å; R566-F671 HydrophobicContact CB-CE1 3.73Å; R566-F671 HydrophobicContact CG-CD1 3.95Å; R566-F671 HydrophobicContact CG-CE1 4.17Å; I569-F671 HydrophobicContact CD1-CD2 3.59Å; I569-F671 HydrophobicContact CD1-CE2 3.72Å; I569-F671 HydrophobicContact CD1-CG 4.3Å; I569-F671 HydrophobicContact CD1-CZ 4.5Å; I569-F671 HydrophobicContact CG2-CB 3.96Å; I569-F671 HydrophobicContact CG2-CG 4.48Å; V617-F671 HydrophobicContact CG1-CE2 4.15Å; V617-F671 HydrophobicContact CG1-CZ 3.69Å; L618-F671 HydrophobicContact CD1-CD2 4.31Å; L618-F671 HydrophobicContact CD1-CE2 4.39Å; H621-F671 HydrophobicContact CB-CD2 3.89Å; H621-F671 HydrophobicContact CB-CE2 3.97Å; H621-F671 AromaticContact CD2-CD2 3.69Å; H621-F671 AromaticContact CD2-CG 3.72Å; H621-F671 PolarHBondContact CD2-N 3.45Å; H621-F671 AromaticContact CG-CD2 3.52Å; H621-F671 AromaticContact ND1-CD2 3.95Å; H621-F671 PolarHBondContact NE2-N 3.47Å; I666-F671 HydrophobicContact CD1-CD1 4.25Å; I666-F671 HydrophobicContact CD1-CE1 3.36Å; I666-F671 HydrophobicContact CD1-CE2 4.21Å; I666-F671 HydrophobicContact CD1-CZ 3.35Å
672	K	90.8	Very high	92.9	Very high	123 Å²	123	49.3 Å²	49.3	54%	0.535	27%	0.268	S	S	.	.			trans	-123.3	135	177.5	-64.5	176.5	178.4	167.5	0	108.5	E670	E670-K672 HydrophobicContact CG-CD 4.33Å; E670-K672 VanDerWaalsContact CG-CE 3.48Å; E670-K672 HydrophobicContact CG-CG 3.9Å; E670-K672 PolarHBondContact O-N 3.02Å; E670-K672 WeakPolarHBondContact OE1-CE 3.39Å; E670-K672 IonicContact OE1-NZ 3.88Å
673	T	90.4	Very high	92.4	Very high	42 Å²	42	51.8 Å²	51.8	26%	0.258	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-65.8	150.6	161.1	57	0	0	0	0	109.5	G570 H573	G570-T673 CarbonylContact O-C 3.57Å; G570-T673 WeakPolarHBondContact O-CA 3.31Å; H573-T673 HydrophobicContact CB-CG2 4.09Å
674	L	90	Very high	92.1	Very high	80 Å²	80	50.3 Å²	50.3	42%	0.419	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-54.8	163.7	161.4	-68.8	169	0	0	0	110.8	R528 G570	R528-L674 WeakPolarHBondContact CD-O 3.44Å; R528-L674 PolarHBondContact NE-O 3.19Å; G570-L674 WeakPolarHBondContact O-CB 3.37Å; G570-L674 WeakPolarHBondContact O-CG 3.32Å; G570-L674 PolarHBondContact O-N 2.79Å
675	P	88.6	Confident	91.8	Very high	98 Å²	98	48.8 Å²	48.8	64%	0.636	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-52.3	140.7	178.9	-28.1	36.3	0	0	0	113.4	R528 D679	R528-P675 VanDerWaalsContact CZ-O 3.28Å; R528-P675 PolarHBondContact NE-O 2.88Å; R528-P675 PolarHBondContact NH2-O 3.3Å; P675-D679 WeakPolarHBondContact CA-OD2 3.49Å
676	D	88.3	Confident	91.3	Very high	14 Å²	14	47.6 Å²	47.6	8%	0.075	29%	0.288	C	S	.	.			trans	-123.5	145.4	-174.6	174	82.3	0	0	0	110.2	N527 R528 S678 D679 R682	N527-D676 WeakPolarHBondContact CA-OD1 3.48Å; N527-D676 VanDerWaalsContact ND2-CG 3.27Å; N527-D676 PolarHBondContact ND2-OD1 3.25Å; N527-D676 PolarHBondContact ND2-OD2 3.32Å; R528-D676 HydrophobicContact CG-CB 4.38Å; R528-D676 PolarHBondContact N-OD1 2.9Å; D676-S678 PolarHBondContact O-N 3.15Å; D676-S678 WeakPolarHBondContact OD2-CA 3.48Å; D676-S678 WeakPolarHBondContact OD2-CB 3.39Å; D676-S678 PolarHBondContact OD2-N 3.43Å; D676-S678 PolarHBondContact OD2-OG 2.97Å; D676-D679 PolarHBondContact N-OD2 3.17Å; D676-D679 WeakPolarHBondContact O-CB 3.23Å; D676-D679 PolarHBondContact O-N 3.04Å; D676-R682 IonicContact OD2-NH2 3.82Å
677	P	87.1	Confident	91	Very high	30 Å²	30	48 Å²	48	20%	0.195	29%	0.291	C	S	.	.	H	α-helix	trans	-54.3	-26.6	178.5	-30.7	37.6	0	0	0	115.1	P524 L526 D679	P524-P677 VanDerWaalsContact O-CG 3.29Å; P524-P677 WeakPolarHBondContact O-CG 3.19Å; L526-P677 WeakPolarHBondContact O-CD 3.42Å; P677-D679 VanDerWaalsContact C-N 3.27Å; P677-D679 PolarHBondContact O-N 3.35Å
678	S	90.5	Very high	90.8	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-75.9	-7.8	174.6	-55.5	0	0	0	0	113.9	N527 D676 L681 R682	N527-S678 PolarHBondContact ND2-OG 3.1Å; D676-S678 PolarHBondContact O-N 3.15Å; D676-S678 WeakPolarHBondContact OD2-CA 3.48Å; D676-S678 WeakPolarHBondContact OD2-CB 3.39Å; D676-S678 PolarHBondContact OD2-N 3.43Å; D676-S678 PolarHBondContact OD2-OG 2.97Å; S678-L681 WeakPolarHBondContact O-CB 3.49Å; S678-L681 PolarHBondContact O-N 2.79Å; S678-R682 WeakPolarHBondContact O-CB 3.46Å; S678-R682 WeakPolarHBondContact O-CG 3.36Å; S678-R682 PolarHBondContact O-N 3.21Å
679	D	90.2	Very high	90.6	Very high	51 Å²	51	45.7 Å²	45.7	27%	0.273	26%	0.26	S	S	.	.	H	α-helix	trans	-65.2	-46.6	176	-68.8	-26.3	0	0	0	110.5	P675 D676 P677 L681 R682 A683	P675-D679 WeakPolarHBondContact CA-OD2 3.49Å; D676-D679 PolarHBondContact N-OD2 3.17Å; D676-D679 WeakPolarHBondContact O-CB 3.23Å; D676-D679 PolarHBondContact O-N 3.04Å; P677-D679 VanDerWaalsContact C-N 3.27Å; P677-D679 PolarHBondContact O-N 3.35Å; D679-L681 VanDerWaalsContact C-N 3.26Å; D679-L681 PolarHBondContact O-N 3.08Å; D679-R682 PolarHBondContact O-N 3.36Å; D679-R682 VanDerWaalsContact O-N 3.11Å; D679-R682 IonicContact OD1-CZ 2.85Å; D679-R682 IonicContact OD1-NH1 2.69Å; D679-R682 PolarHBondContact OD1-NH1 2.77Å; D679-R682 IonicContact OD1-NH2 2.64Å; D679-R682 PolarHBondContact OD1-NH2 2.98Å; D679-A683 PolarHBondContact O-N 2.87Å
680	K	89.8	Confident	90.4	Very high	75 Å²	75	44.7 Å²	44.7	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-36.7	172.8	-71.3	-172.3	173	-171.1	0	111.9	L684 F704 E804 P805	K680-L684 WeakPolarHBondContact O-CG 3.19Å; K680-L684 PolarHBondContact O-N 3.49Å; K680-F704 HydrophobicContact CD-CD1 4.48Å; K680-E804 WeakPolarHBondContact CE-OE2 3.31Å; K680-E804 IonicContact NZ-OE1 2.69Å; K680-E804 PolarHBondContact NZ-OE1 3.19Å; K680-E804 IonicContact NZ-OE2 2.83Å; K680-E804 PolarHBondContact NZ-OE2 3.32Å; K680-P805 HydrophobicContact CG-CG 4.49Å
681	L	92.6	Very high	90.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-42.4	173.6	-58.7	-170.1	0	0	0	112.5	S678 D679 A683 L684 D685 V698 R702 F704 F735	S678-L681 WeakPolarHBondContact O-CB 3.49Å; S678-L681 PolarHBondContact O-N 2.79Å; D679-L681 VanDerWaalsContact C-N 3.26Å; D679-L681 PolarHBondContact O-N 3.08Å; L681-A683 VanDerWaalsContact C-N 3.34Å; L681-L684 PolarHBondContact O-N 2.93Å; L681-D685 WeakPolarHBondContact O-CB 3.35Å; L681-D685 PolarHBondContact O-N 2.81Å; L681-V698 HydrophobicContact CB-CG1 4.2Å; L681-V698 HydrophobicContact CB-CG2 4.2Å; L681-V698 HydrophobicContact CD1-CG1 4.4Å; L681-R702 HydrophobicContact CD1-CB 3.89Å; L681-R702 HydrophobicContact CD1-CG 4.07Å; L681-R702 WeakPolarHBondContact CD1-O 3.43Å; L681-R702 HydrophobicContact CD2-CG 4.13Å; L681-F704 HydrophobicContact CD2-CB 4.26Å; L681-F735 HydrophobicContact CD2-CD1 3.8Å; L681-F735 HydrophobicContact CD2-CE1 3.55Å
682	R	90.7	Very high	89.9	Confident	81 Å²	81	52 Å²	52	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-32.9	-179.6	-78.4	-178.2	-94	102.2	0.7	112.1	D676 S678 D679 D685 G686 V698	D676-R682 IonicContact OD2-NH2 3.82Å; S678-R682 WeakPolarHBondContact O-CB 3.46Å; S678-R682 WeakPolarHBondContact O-CG 3.36Å; S678-R682 PolarHBondContact O-N 3.21Å; D679-R682 PolarHBondContact O-N 3.36Å; D679-R682 VanDerWaalsContact O-N 3.11Å; D679-R682 IonicContact OD1-CZ 2.85Å; D679-R682 IonicContact OD1-NH1 2.69Å; D679-R682 PolarHBondContact OD1-NH1 2.77Å; D679-R682 IonicContact OD1-NH2 2.64Å; D679-R682 PolarHBondContact OD1-NH2 2.98Å; R682-D685 PolarHBondContact O-N 3.19Å; R682-G686 PolarHBondContact O-N 3.18Å; R682-V698 HydrophobicContact CG-CG1 3.85Å; R682-V698 HydrophobicContact CG-CG2 3.93Å
683	A	89	Confident	89.8	Confident	53 Å²	53	48.9 Å²	48.9	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-48	169.4	0	0	0	0	0	111.9	D679 L681 D685	D679-A683 PolarHBondContact O-N 2.87Å; L681-A683 VanDerWaalsContact C-N 3.34Å; A683-D685 VanDerWaalsContact C-N 3.35Å; A683-D685 PolarHBondContact O-N 3.32Å
684	L	91.2	Very high	89.5	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-38.3	175.3	-72.1	170.6	0	0	0	112.4	K680 L681 G686 V687 L688 F697 F704 L733 F735 P805 F806	K680-L684 WeakPolarHBondContact O-CG 3.19Å; K680-L684 PolarHBondContact O-N 3.49Å; L681-L684 PolarHBondContact O-N 2.93Å; L684-G686 PolarHBondContact O-N 2.7Å; L684-V687 PolarHBondContact O-N 3.22Å; L684-L688 WeakPolarHBondContact O-CG 3.46Å; L684-L688 PolarHBondContact O-N 2.69Å; L684-F697 HydrophobicContact CB-CE1 4.06Å; L684-F697 HydrophobicContact CB-CZ 4.32Å; L684-F704 HydrophobicContact CD1-CD2 3.69Å; L684-F704 HydrophobicContact CD1-CE2 3.97Å; L684-F704 HydrophobicContact CD1-CG 4.06Å; L684-L733 HydrophobicContact CD2-CD1 4.2Å; L684-F735 HydrophobicContact CD1-CE1 4.04Å; L684-F735 HydrophobicContact CD1-CZ 3.99Å; L684-P805 HydrophobicContact CD1-CB 4.15Å; L684-P805 HydrophobicContact CD2-CB 3.63Å; L684-P805 HydrophobicContact CG-CB 3.7Å; L684-F806 HydrophobicContact CD2-CD2 3.87Å
685	D	91.3	Very high	89	Confident	44 Å²	44	53.7 Å²	53.7	24%	0.235	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-43	-176.9	-167.3	85	0	0	0	112.7	L681 R682 A683 V687 K693 F697 V698	L681-D685 WeakPolarHBondContact O-CB 3.35Å; L681-D685 PolarHBondContact O-N 2.81Å; R682-D685 PolarHBondContact O-N 3.19Å; A683-D685 VanDerWaalsContact C-N 3.35Å; A683-D685 PolarHBondContact O-N 3.32Å; D685-V687 PolarHBondContact O-N 2.78Å; D685-K693 PolarHBondContact O-NZ 2.67Å; D685-K693 WeakPolarHBondContact OD1-CE 3.28Å; D685-K693 IonicContact OD1-NZ 3.34Å; D685-K693 PolarHBondContact OD1-NZ 2.85Å; D685-K693 VanDerWaalsContact OD1-NZ 3.1Å; D685-K693 IonicContact OD2-NZ 3.02Å; D685-K693 PolarHBondContact OD2-NZ 2.72Å; D685-F697 HydrophobicContact CB-CD1 3.96Å; D685-F697 HydrophobicContact CB-CE1 4.38Å; D685-F697 WeakPolarHBondContact OD1-CD1 3.48Å; D685-V698 HydrophobicContact CB-CG2 3.75Å
686	G	88.1	Confident	88.9	Confident	56 Å²	56	53.2 Å²	53.2	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.3	177.2	0	0	0	0	0	114.6	R682 L684	R682-G686 PolarHBondContact O-N 3.18Å; L684-G686 PolarHBondContact O-N 2.7Å
687	V	90.3	Very high	89	Confident	10 Å²	10	52.8 Å²	52.8	6%	0.061	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-26.2	-173.6	168.5	0	0	0	0	112.4	L684 D685 F806 T810 F812	L684-V687 PolarHBondContact O-N 3.22Å; D685-V687 PolarHBondContact O-N 2.78Å; V687-F806 HydrophobicContact CG1-CB 4.42Å; V687-F806 HydrophobicContact CG1-CD2 4.39Å; V687-T810 WeakPolarHBondContact CG1-O 3.41Å; V687-F812 HydrophobicContact CG1-CD2 3.7Å; V687-F812 HydrophobicContact CG1-CE2 4.2Å; V687-F812 PolarHBondContact O-N 3.15Å; V687-F812 VanDerWaalsContact O-N 3.09Å
688	L	92.1	Very high	89.3	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.2	176.3	-67.9	-177.8	0	0	0	112.2	L684 K693 F697 L733 V742 F812 V814	L684-L688 WeakPolarHBondContact O-CG 3.46Å; L684-L688 PolarHBondContact O-N 2.69Å; L688-K693 HydrophobicContact CB-CD 4.28Å; L688-K693 WeakPolarHBondContact O-CD 3.27Å; L688-F697 HydrophobicContact CD1-CE1 4.06Å; L688-F697 HydrophobicContact CD1-CE2 3.95Å; L688-F697 HydrophobicContact CD1-CZ 3.67Å; L688-L733 HydrophobicContact CD1-CD1 4.11Å; L688-L733 HydrophobicContact CD2-CD1 3.96Å; L688-V742 HydrophobicContact CD2-CG1 3.77Å; L688-F812 HydrophobicContact CD2-CB 4.08Å; L688-V814 HydrophobicContact CB-CG2 4.29Å; L688-V814 HydrophobicContact CD2-CG2 4.36Å
689	I	92	Very high	89.4	Confident	77 Å²	77	56 Å²	56	40%	0.395	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	165.2	177.8	73.1	170.2	0	0	0	113.3	L745 F812 Q813 V814	I689-L745 HydrophobicContact CD1-CD1 3.64Å; I689-L745 HydrophobicContact CG1-CD1 4.2Å; I689-F812 PolarHBondContact N-O 2.87Å; I689-Q813 CarbonylContact O-C 3.49Å; I689-Q813 WeakPolarHBondContact O-CA 3.11Å; I689-V814 PolarHBondContact O-N 3.35Å
690	G	88.4	Confident	89.6	Confident	32 Å²	32	56 Å²	56	33%	0.33	32%	0.319	S	S	.	.	S	Bend	trans	111	164.5	174.3	0	0	0	0	0	113.8	L692 K693	G690-L692 PolarHBondContact O-N 3.49Å; G690-L692 VanDerWaalsContact O-N 3.08Å; G690-K693 WeakPolarHBondContact O-CB 3.29Å; G690-K693 PolarHBondContact O-N 3.11Å; G690-K693 VanDerWaalsContact O-N 3.08Å
691	P	88.8	Confident	89.8	Confident	127 Å²	127	53.6 Å²	53.6	83%	0.825	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-6.7	-169.6	30.2	-37.4	0	0	0	114.7
692	L	88.9	Confident	89.9	Confident	89 Å²	89	54.1 Å²	54.1	47%	0.466	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.9	176.4	-62.2	175.5	0	0	0	112.8	G690 V814 R815	G690-L692 PolarHBondContact O-N 3.49Å; G690-L692 VanDerWaalsContact O-N 3.08Å; L692-V814 HydrophobicContact CB-CB 4.23Å; L692-V814 HydrophobicContact CB-CG1 3.77Å; L692-R815 WeakPolarHBondContact CD1-O 3.4Å
693	K	88.1	Confident	90.1	Very high	57 Å²	57	52.5 Å²	52.5	25%	0.248	31%	0.305	C	S	.	.	S	Bend	trans	-70.2	127.4	165.5	178	179.7	170.9	-174.5	0	108.1	D685 L688 G690 V814	D685-K693 PolarHBondContact O-NZ 2.67Å; D685-K693 WeakPolarHBondContact OD1-CE 3.28Å; D685-K693 IonicContact OD1-NZ 3.34Å; D685-K693 PolarHBondContact OD1-NZ 2.85Å; D685-K693 VanDerWaalsContact OD1-NZ 3.1Å; D685-K693 IonicContact OD2-NZ 3.02Å; D685-K693 PolarHBondContact OD2-NZ 2.72Å; L688-K693 HydrophobicContact CB-CD 4.28Å; L688-K693 WeakPolarHBondContact O-CD 3.27Å; G690-K693 WeakPolarHBondContact O-CB 3.29Å; G690-K693 PolarHBondContact O-N 3.11Å; G690-K693 VanDerWaalsContact O-N 3.08Å; K693-V814 HydrophobicContact CB-CG2 4.17Å
694	T	83.2	Confident	90.4	Very high	61 Å²	61	50.8 Å²	50.8	37%	0.374	29%	0.287	S	S	.	.			trans	-74.4	134.7	175.7	49.6	0	0	0	0	110.7	N696 F697	T694-N696 PolarHBondContact O-N 3.36Å; T694-N696 VanDerWaalsContact O-N 3.14Å; T694-F697 WeakPolarHBondContact O-CB 3.49Å; T694-F697 PolarHBondContact O-N 2.74Å; T694-F697 WeakPolarHBondContact OG1-CA 3.43Å
695	D	80.4	Confident	90.5	Very high	162 Å²	162	52.3 Å²	52.3	87%	0.866	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.1	179.1	-66.6	-38.8	0	0	0	112.9
696	N	86.3	Confident	90.7	Very high	87 Å²	87	50.2 Å²	50.2	47%	0.465	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	56.4	171.4	-63.3	-57.4	0	0	0	110.3	R192 T694 Q699	R192-N696 PolarHBondContact NH2-OD1 3.48Å; T694-N696 PolarHBondContact O-N 3.36Å; T694-N696 VanDerWaalsContact O-N 3.14Å; N696-Q699 WeakPolarHBondContact O-CG 3.31Å; N696-Q699 PolarHBondContact O-NE2 3.06Å
697	F	90.7	Very high	91	Very high	5 Å²	5	50.1 Å²	50.1	2%	0.022	27%	0.266	C	S	.	.			trans	-68.4	-42	174.4	170.7	-101	0	0	0	112.1	L684 D685 L688 T694 Q699 R702 F735 V740	L684-F697 HydrophobicContact CB-CE1 4.06Å; L684-F697 HydrophobicContact CB-CZ 4.32Å; D685-F697 HydrophobicContact CB-CD1 3.96Å; D685-F697 HydrophobicContact CB-CE1 4.38Å; D685-F697 WeakPolarHBondContact OD1-CD1 3.48Å; L688-F697 HydrophobicContact CD1-CE1 4.06Å; L688-F697 HydrophobicContact CD1-CE2 3.95Å; L688-F697 HydrophobicContact CD1-CZ 3.67Å; T694-F697 WeakPolarHBondContact O-CB 3.49Å; T694-F697 PolarHBondContact O-N 2.74Å; T694-F697 WeakPolarHBondContact OG1-CA 3.43Å; F697-Q699 PolarHBondContact O-N 3.49Å; F697-R702 PolarHBondContact O-NH1 3.18Å; F697-F735 HydrophobicContact CE2-CE1 4.39Å; F697-F735 HydrophobicContact CE2-CE2 4.25Å; F697-F735 AromaticContact CE2-CZ 3.88Å; F697-F735 HydrophobicContact CE2-CZ 3.88Å; F697-F735 AromaticContact CZ-CE1 3.94Å; F697-F735 HydrophobicContact CZ-CE1 3.94Å; F697-F735 HydrophobicContact CZ-CE2 4.39Å; F697-F735 AromaticContact CZ-CZ 3.59Å; F697-F735 HydrophobicContact CZ-CZ 3.59Å; F697-V740 HydrophobicContact CE2-CG2 4.46Å
698	V	92.3	Very high	91.2	Very high	44 Å²	44	49.6 Å²	49.6	27%	0.267	26%	0.263	S	S	.	.			trans	-76.8	110.8	171.9	-176.6	0	0	0	0	109.2	L681 R682 D685	L681-V698 HydrophobicContact CB-CG1 4.2Å; L681-V698 HydrophobicContact CB-CG2 4.2Å; L681-V698 HydrophobicContact CD1-CG1 4.4Å; R682-V698 HydrophobicContact CG-CG1 3.85Å; R682-V698 HydrophobicContact CG-CG2 3.93Å; D685-V698 HydrophobicContact CB-CG2 3.75Å
699	Q	93.4	Very high	91.3	Very high	61 Å²	61	50.2 Å²	50.2	29%	0.285	27%	0.266	S	S	.	.			trans	-131.4	136.2	177.2	-53.3	-169.8	17.5	0	0	109.1	N696 F697 H701 R702	N696-Q699 WeakPolarHBondContact O-CG 3.31Å; N696-Q699 PolarHBondContact O-NE2 3.06Å; F697-Q699 PolarHBondContact O-N 3.49Å; Q699-H701 PolarHBondContact O-N 3.44Å; Q699-H701 PolarHBondContact OE1-CE1 2.92Å; Q699-R702 HydrophobicContact CB-CB 4.25Å; Q699-R702 WeakPolarHBondContact O-CB 3.5Å; Q699-R702 PolarHBondContact O-N 3.43Å
700	R	93.5	Very high	91.3	Very high	50 Å²	50	46.5 Å²	46.5	19%	0.189	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.3	-174	-62.1	-164.2	-58.8	-146.2	13.3	115.1	N493 R494 N527 E533	N493-R700 HydrophobicContact CB-CB 4.43Å; N493-R700 WeakPolarHBondContact CB-O 3.27Å; N493-R700 WeakPolarHBondContact O-CB 3.42Å; N493-R700 PolarHBondContact O-NE 3.05Å; R494-R700 PolarHBondContact O-NH2 2.87Å; N527-R700 HydrophobicContact CB-CB 4.14Å; N527-R700 WeakPolarHBondContact OD1-CD 3.2Å; E533-R700 IonicContact OE1-CZ 3.68Å; E533-R700 IonicContact OE1-NH1 2.75Å; E533-R700 PolarHBondContact OE1-NH1 3.31Å; E533-R700 IonicContact OE2-CZ 3.81Å; E533-R700 VanDerWaalsContact OE2-CZ 3.23Å; E533-R700 IonicContact OE2-NH1 2.8Å; E533-R700 PolarHBondContact OE2-NH1 3.29Å; E533-R700 IonicContact OE2-NH2 3.7Å; E533-R700 PolarHBondContact OE2-NH2 3.05Å
701	H	94.3	Very high	91.5	Very high	24 Å²	24	46.2 Å²	46.2	11%	0.111	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	1.2	-174.6	72.6	-97.5	0	0	0	113.5	T490 N493 R494 Q699 N736	T490-H701 HydrophobicContact CG2-CB 4.16Å; N493-H701 HydrophobicContact CB-CB 3.67Å; R494-H701 HydrophobicContact CG-CB 3.71Å; R494-H701 VanDerWaalsContact CG-CG 3.49Å; R494-H701 WeakPolarHBondContact CG-ND1 3.35Å; R494-H701 PolarHBondContact NE-CD2 3.38Å; R494-H701 PolarHBondContact NE-CE1 2.81Å; R494-H701 PolarHBondContact NE-NE2 2.62Å; R494-H701 PolarHBondContact NH2-CD2 3.14Å; R494-H701 PolarHBondContact NH2-NE2 2.98Å; Q699-H701 PolarHBondContact O-N 3.44Å; Q699-H701 PolarHBondContact OE1-CE1 2.92Å; H701-N736 PolarHBondContact O-ND2 2.99Å
702	R	95.6	Very high	91.7	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.045	21%	0.206	C	C	.	.			trans	-88.4	131.3	171.5	178.6	169.6	-66.8	142.2	3.9	108.1	L681 F697 Q699 F735 N736 D737 I738	L681-R702 HydrophobicContact CD1-CB 3.89Å; L681-R702 HydrophobicContact CD1-CG 4.07Å; L681-R702 WeakPolarHBondContact CD1-O 3.43Å; L681-R702 HydrophobicContact CD2-CG 4.13Å; F697-R702 PolarHBondContact O-NH1 3.18Å; Q699-R702 HydrophobicContact CB-CB 4.25Å; Q699-R702 WeakPolarHBondContact O-CB 3.5Å; Q699-R702 PolarHBondContact O-N 3.43Å; R702-F735 HydrophobicContact CG-CB 3.95Å; R702-F735 HydrophobicContact CG-CD1 3.72Å; R702-F735 HydrophobicContact CG-CG 4.05Å; R702-N736 WeakPolarHBondContact CA-OD1 3.43Å; R702-D737 WeakPolarHBondContact CG-OD1 3.17Å; R702-D737 IonicContact CZ-OD1 2.69Å; R702-D737 IonicContact CZ-OD2 2.77Å; R702-D737 IonicContact NE-OD1 2.69Å; R702-D737 PolarHBondContact NE-OD1 3.11Å; R702-D737 IonicContact NE-OD2 3.46Å; R702-D737 PolarHBondContact NE-OD2 3.07Å; R702-D737 IonicContact NH2-OD1 3.53Å; R702-D737 IonicContact NH2-OD2 3.59Å; R702-D737 PolarHBondContact NH2-OD2 3.46Å; R702-I738 VanDerWaalsContact CZ-CD1 3.5Å
703	R	94.2	Very high	91.8	Very high	47 Å²	47	38 Å²	38	18%	0.177	19%	0.186	C	C	.	.			trans	-120.3	130.9	176.1	179.4	176.2	64.8	-114	-13.1	108.5	N525 F735 N736 E870	N525-R703 WeakPolarHBondContact OD1-CD 3.31Å; N525-R703 PolarHBondContact OD1-NE 2.98Å; N525-R703 PolarHBondContact OD1-NH1 3Å; R703-F735 CarbonylContact O-C 3.55Å; R703-F735 WeakPolarHBondContact O-CA 3.35Å; R703-F735 WeakPolarHBondContact O-CB 3.18Å; R703-N736 PolarHBondContact N-OD1 3.48Å; R703-N736 PolarHBondContact O-N 3.44Å; R703-N736 VanDerWaalsContact O-N 3.14Å; R703-E870 IonicContact CZ-OE2 3.09Å; R703-E870 IonicContact NH1-OE2 2.63Å; R703-E870 IonicContact NH2-OE2 2.67Å; R703-E870 PolarHBondContact NH2-OE2 3.4Å
704	F	95.1	Very high	91.7	Very high	16 Å²	16	41.6 Å²	41.6	7%	0.07	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.4	169.4	178.7	-109.1	0	0	0	109.3	K680 L681 L684 G706 R707 L733 F735 T803 P805	K680-F704 HydrophobicContact CD-CD1 4.48Å; L681-F704 HydrophobicContact CD2-CB 4.26Å; L684-F704 HydrophobicContact CD1-CD2 3.69Å; L684-F704 HydrophobicContact CD1-CE2 3.97Å; L684-F704 HydrophobicContact CD1-CG 4.06Å; F704-G706 VanDerWaalsContact CE2-O 3.22Å; F704-G706 WeakPolarHBondContact CE2-O 3.46Å; F704-G706 WeakPolarHBondContact CZ-O 3.41Å; F704-R707 HydrophobicContact CE2-CB 4.5Å; F704-R707 HydrophobicContact CZ-CB 4.02Å; F704-R707 HydrophobicContact CZ-CG 4.28Å; F704-L733 HydrophobicContact CE2-CB 4.24Å; F704-L733 HydrophobicContact CE2-CD2 4.06Å; F704-F735 HydrophobicContact CB-CD1 4.03Å; F704-F735 HydrophobicContact CB-CE1 3.93Å; F704-F735 HydrophobicContact CD2-CD1 4.13Å; F704-F735 AromaticContact CD2-CE1 3.63Å; F704-F735 HydrophobicContact CD2-CE1 3.63Å; F704-F735 AromaticContact CD2-CZ 3.9Å; F704-F735 HydrophobicContact CD2-CZ 3.9Å; F704-F735 HydrophobicContact CG-CE1 4.25Å; F704-T803 WeakPolarHBondContact CE1-O 3.43Å; F704-P805 HydrophobicContact CE1-CB 4.33Å
705	I	94.6	Very high	91.8	Very high	34 Å²	34	44.9 Å²	44.9	17%	0.174	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-42.8	-178.8	-62.3	175.7	0	0	0	110.1	I734 N736 W863 S867	I705-I734 HydrophobicContact CB-CG2 4.3Å; I705-I734 PolarHBondContact N-O 2.91Å; I705-N736 HydrophobicContact CD1-CB 4.36Å; I705-W863 HydrophobicContact CG2-CB 4.03Å; I705-W863 HydrophobicContact CG2-CD2 4.02Å; I705-W863 HydrophobicContact CG2-CG 3.61Å; I705-S867 VanDerWaalsContact CD1-OG 3.28Å; I705-S867 WeakPolarHBondContact CD1-OG 3.38Å
706	G	94.4	Very high	92	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	177.8	177.5	0	0	0	0	0	114.5	F704 I734 S802	F704-G706 VanDerWaalsContact CE2-O 3.22Å; F704-G706 WeakPolarHBondContact CE2-O 3.46Å; F704-G706 WeakPolarHBondContact CZ-O 3.41Å; G706-I734 PolarHBondContact N-O 2.68Å; G706-I734 PolarHBondContact O-N 3.05Å; G706-S802 CarbonylContact C-O 3.54Å; G706-S802 VanDerWaalsContact CA-O 3.28Å; G706-S802 WeakPolarHBondContact CA-O 3.42Å
707	R	94.5	Very high	91.9	Very high	54 Å²	54	39.3 Å²	39.3	20%	0.204	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.6	177.4	60.4	175.7	167.5	121.8	0.6	112.5	F704 L732 L733 C801 S802 E804 P805	F704-R707 HydrophobicContact CE2-CB 4.5Å; F704-R707 HydrophobicContact CZ-CB 4.02Å; F704-R707 HydrophobicContact CZ-CG 4.28Å; R707-L732 CarbonylContact C-O 3.27Å; R707-L732 WeakPolarHBondContact CA-O 3.49Å; R707-L732 WeakPolarHBondContact CB-O 3.3Å; R707-L733 HydrophobicContact CB-CD2 3.59Å; R707-C801 WeakPolarHBondContact O-CA 3.37Å; R707-S802 PolarHBondContact N-O 3.48Å; R707-S802 PolarHBondContact O-N 2.92Å; R707-E804 WeakPolarHBondContact CD-O 3.39Å; R707-E804 PolarHBondContact NE-O 2.99Å; R707-P805 VanDerWaalsContact CZ-O 3.28Å; R707-P805 PolarHBondContact NE-O 3.45Å; R707-P805 PolarHBondContact NH2-O 3.2Å
708	I	94.1	Very high	91.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.6	179.4	-58.9	-171.5	0	0	0	110.7	H731 L732 I734 F800 C801 M851 F860 W863	I708-H731 CarbonylContact O-C 3.52Å; I708-H731 WeakPolarHBondContact O-CA 3.4Å; I708-L732 PolarHBondContact N-O 3.2Å; I708-L732 PolarHBondContact O-N 2.98Å; I708-I734 HydrophobicContact CD1-CD1 4.3Å; I708-I734 HydrophobicContact CG1-CD1 4.33Å; I708-F800 CarbonylContact C-O 3.58Å; I708-F800 VanDerWaalsContact CA-O 3.3Å; I708-F800 WeakPolarHBondContact CA-O 3.36Å; I708-C801 HydrophobicContact CG1-CB 4.32Å; I708-C801 VanDerWaalsContact CG1-SG 3.59Å; I708-M851 HydrophobicContact CG2-SD 3.99Å; I708-F860 HydrophobicContact CD1-CB 3.58Å; I708-F860 HydrophobicContact CD1-CD2 4.06Å; I708-F860 HydrophobicContact CD1-CG 4.31Å; I708-W863 HydrophobicContact CD1-CE3 3.86Å; I708-W863 HydrophobicContact CD1-CZ3 3.78Å; I708-W863 HydrophobicContact CG1-CE3 4.16Å; I708-W863 HydrophobicContact CG1-CZ3 3.67Å
709	L	93.7	Very high	90.6	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.7	170.8	174	58.4	0	0	0	109.9	W729 R730 K798 F800 P852	L709-W729 HydrophobicContact CD1-CB 4.35Å; L709-W729 HydrophobicContact CD1-CD2 4.46Å; L709-W729 HydrophobicContact CD1-CE3 3.68Å; L709-W729 HydrophobicContact CD1-CZ3 4.41Å; L709-W729 HydrophobicContact CD2-CE3 4.49Å; L709-W729 HydrophobicContact CG-CE3 3.82Å; L709-W729 HydrophobicContact CG-CZ3 4.05Å; L709-R730 WeakPolarHBondContact CD1-O 3.34Å; L709-K798 HydrophobicContact CD2-CD 4.41Å; L709-F800 HydrophobicContact CB-CD1 4.13Å; L709-F800 HydrophobicContact CD2-CD1 3.95Å; L709-F800 HydrophobicContact CD2-CE1 4.04Å; L709-F800 HydrophobicContact CG-CD1 4.11Å; L709-F800 HydrophobicContact CG-CE1 4.45Å; L709-F800 PolarHBondContact N-O 3.02Å; L709-P852 WeakPolarHBondContact O-CD 3.39Å
710	T	93.1	Very high	89.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	162	-173.1	-172.6	0	0	0	0	111.4	W729 R730 L732 L849 N850	T710-W729 CarbonylContact O-C 3.56Å; T710-W729 WeakPolarHBondContact O-CA 3.47Å; T710-R730 HydrophobicContact CG2-CB 4.31Å; T710-R730 PolarHBondContact N-O 3.19Å; T710-R730 PolarHBondContact O-N 3.22Å; T710-R730 VanDerWaalsContact O-O 3.13Å; T710-L732 HydrophobicContact CG2-CD1 3.94Å; T710-L732 HydrophobicContact CG2-CD2 3.86Å; T710-L732 HydrophobicContact CG2-CG 3.65Å; T710-L849 HydrophobicContact CG2-CD2 3.86Å; T710-N850 PolarHBondContact OG1-O 3.4Å; T710-N850 VanDerWaalsContact OG1-O 3.12Å
711	Q	92.4	Very high	88.4	Confident	26 Å²	26	58.3 Å²	58.3	12%	0.121	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126	165.9	179	178	-1.5	0	0	110	L849 N850	Q711-L849 CarbonylContact O-C 3.58Å; Q711-L849 WeakPolarHBondContact O-CA 3.29Å; Q711-N850 HydrophobicContact CB-CB 4.35Å; Q711-N850 PolarHBondContact N-O 3.1Å; Q711-N850 PolarHBondContact O-N 2.95Å
712	E	93.2	Very high	87.1	Confident	34 Å²	34	59.2 Å²	59.2	16%	0.159	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.3	170.3	-177.8	-166.6	-171.4	0	0	109.9	R728 R730 I847	E712-R728 HydrophobicContact CB-CB 3.88Å; E712-R728 VanDerWaalsContact CB-O 3.31Å; E712-R728 WeakPolarHBondContact CB-O 3.25Å; E712-R728 VanDerWaalsContact CD-NE 3.32Å; E712-R728 PolarHBondContact N-O 2.97Å; E712-R728 IonicContact OE1-CZ 3.82Å; E712-R728 IonicContact OE1-NE 3.16Å; E712-R728 IonicContact OE1-NH2 3.41Å; E712-R728 PolarHBondContact OE1-NH2 3.24Å; E712-R728 IonicContact OE2-CZ 2.78Å; E712-R728 IonicContact OE2-NE 3.57Å; E712-R728 PolarHBondContact OE2-NE 3.26Å; E712-R728 IonicContact OE2-NH2 2.84Å; E712-R728 PolarHBondContact OE2-NH2 3.06Å; E712-R728 VanDerWaalsContact OE2-NH2 3.16Å; E712-R730 HydrophobicContact CB-CG 3.87Å; E712-R730 IonicContact OE2-CZ 2.74Å; E712-R730 IonicContact OE2-NE 2.71Å; E712-R730 PolarHBondContact OE2-NE 3.05Å; E712-R730 IonicContact OE2-NH2 2.76Å; E712-R730 PolarHBondContact OE2-NH2 2.93Å; E712-I847 HydrophobicContact CG-CD1 4.49Å
713	I	91.1	Very high	85.4	Confident	9 Å²	9	61 Å²	61	5%	0.046	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.1	-179.9	-56.8	166.9	0	0	0	109.4	K715 F828 Y833 S848 L849 N850	I713-K715 VanDerWaalsContact CG2-C 3.45Å; I713-K715 WeakPolarHBondContact CG2-O 3.48Å; I713-F828 HydrophobicContact CD1-CE2 4.32Å; I713-F828 HydrophobicContact CD1-CZ 3.68Å; I713-Y833 HydrophobicContact CD1-CD1 3.99Å; I713-Y833 HydrophobicContact CD1-CD2 3.81Å; I713-Y833 HydrophobicContact CD1-CE1 4.27Å; I713-Y833 HydrophobicContact CD1-CE2 4.11Å; I713-Y833 HydrophobicContact CD1-CG 3.74Å; I713-Y833 HydrophobicContact CG1-CD1 4.16Å; I713-Y833 HydrophobicContact CG1-CD2 4.4Å; I713-Y833 HydrophobicContact CG1-CE1 3.98Å; I713-Y833 HydrophobicContact CG1-CE2 4.22Å; I713-Y833 HydrophobicContact CG1-CG 4.36Å; I713-Y833 HydrophobicContact CG2-CD2 4.32Å; I713-Y833 HydrophobicContact CG2-CE2 3.65Å; I713-S848 PolarHBondContact N-O 3.17Å; I713-L849 WeakPolarHBondContact CD1-O 3.37Å; I713-N850 HydrophobicContact CD1-CB 3.88Å; I713-N850 HydrophobicContact CG1-CB 4.15Å
714	E	86.5	Confident	83.8	Confident	133 Å²	133	70.3 Å²	70.3	62%	0.621	34%	0.337	S	S	*	.	S	Bend	trans	-87.3	-38.6	170.5	-168.5	-172.1	116.6	0	0	112.6	R728	E714-R728 IonicContact OE2-NH1 2.84Å
715	K	84.8	Confident	81.9	Confident	129 Å²	129	77.6 Å²	77.6	56%	0.561	38%	0.377	S	S	*	.			trans	-142.1	128.9	-178.5	-59.4	179.5	-174.8	170.3	0	110	I713 A717 P718 Y833	I713-K715 VanDerWaalsContact CG2-C 3.45Å; I713-K715 WeakPolarHBondContact CG2-O 3.48Å; K715-A717 VanDerWaalsContact C-N 3.32Å; K715-A717 PolarHBondContact O-N 2.87Å; K715-P718 WeakPolarHBondContact O-CD 3.13Å; K715-Y833 WeakPolarHBondContact O-CE2 3.22Å
716	I	84.1	Confident	80.4	Confident	55 Å²	55	81.5 Å²	81.5	28%	0.282	40%	0.398	S	S	.	.	S	Bend	trans	-64.2	-35	-176.9	-69.3	174.7	0	0	0	112.5	F828 S830 Y833	I716-F828 HydrophobicContact CB-CE2 4.32Å; I716-F828 HydrophobicContact CD1-CD1 4.11Å; I716-F828 HydrophobicContact CD1-CE1 3.91Å; I716-F828 HydrophobicContact CD1-CE2 4.34Å; I716-F828 HydrophobicContact CD1-CG 4.41Å; I716-F828 HydrophobicContact CD1-CZ 4.04Å; I716-F828 HydrophobicContact CG1-CE1 4.12Å; I716-F828 HydrophobicContact CG1-CE2 3.96Å; I716-F828 HydrophobicContact CG1-CZ 3.73Å; I716-F828 HydrophobicContact CG2-CD2 3.78Å; I716-F828 HydrophobicContact CG2-CE2 3.69Å; I716-F828 HydrophobicContact CG2-CZ 4.35Å; I716-S830 PolarHBondContact O-OG 3.19Å; I716-Y833 WeakPolarHBondContact O-CD2 3.36Å; I716-Y833 WeakPolarHBondContact O-CE2 3.47Å
717	A	83.7	Confident	79.3	Confident	77 Å²	77	82.7 Å²	82.7	64%	0.636	41%	0.408	S	S	*	.	S	Bend	trans	-122.1	82.1	174.1	0	0	0	0	0	110	K715 Y832	K715-A717 VanDerWaalsContact C-N 3.32Å; K715-A717 PolarHBondContact O-N 2.87Å; A717-Y832 HydrophobicContact CB-CE2 4.29Å
718	P	79.9	Confident	78.9	Confident	18 Å²	18	84.5 Å²	84.5	12%	0.117	42%	0.415	C	S	.	.			trans	-79.2	141.5	179.3	34.6	-35.5	0	0	0	110.9	K715 K720 Y832 Y833	K715-P718 WeakPolarHBondContact O-CD 3.13Å; P718-K720 WeakPolarHBondContact CB-O 3.41Å; P718-K720 PolarHBondContact O-N 3.12Å; P718-K720 VanDerWaalsContact O-N 3.11Å; P718-Y832 HydrophobicContact CG-CD2 4.48Å; P718-Y832 HydrophobicContact CG-CG 4.26Å; P718-Y833 HydrophobicContact CG-CE2 4.31Å
719	R	76.1	Confident	78.7	Confident	252 Å²	252	89.4 Å²	89.4	95%	0.951	43%	0.434	S	S	*	.	S	Bend	trans	-60.2	-22.6	178.4	-68.4	-175.6	179.9	175.3	-0.7	114
720	K	71.9	Confident	78.7	Confident	183 Å²	183	89.8 Å²	89.8	80%	0.796	43%	0.434	S	S	*	.	S	Bend	trans	-144.3	140.7	170	-65.2	-172.5	178.6	-176.1	0	107.7	P718	P718-K720 WeakPolarHBondContact CB-O 3.41Å; P718-K720 PolarHBondContact O-N 3.12Å; P718-K720 VanDerWaalsContact O-N 3.11Å
721	L	70.1	Confident	78.7	Confident	106 Å²	106	91.4 Å²	91.4	56%	0.555	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-58.6	142.9	172.5	-80.4	159.4	0	0	0	110.6	G723 Y832	L721-G723 PolarHBondContact O-N 3.28Å; L721-Y832 HydrophobicContact CD1-CD1 4.29Å; L721-Y832 HydrophobicContact CD2-CD1 3.83Å; L721-Y832 HydrophobicContact CD2-CG 4.32Å; L721-Y832 HydrophobicContact CG-CD1 3.79Å; L721-Y832 HydrophobicContact CG-CE1 4.46Å
722	P	65.1	Low	78.8	Confident	44 Å²	44	90.2 Å²	90.2	29%	0.286	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-63.1	126.2	170.4	27.3	-32.7	0	0	0	109
723	G	61.3	Low	79	Confident	50 Å²	50	88.6 Å²	88.6	52%	0.515	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-57.1	152.9	176.9	0	0	0	0	0	111.7	L721 N725 N726	L721-G723 PolarHBondContact O-N 3.28Å; G723-N725 PolarHBondContact O-N 3.06Å; G723-N726 PolarHBondContact O-N 3.12Å
724	R	59.8	Low	79.2	Confident	241 Å²	241	88.1 Å²	88.1	91%	0.909	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-46.8	-35.7	-170.4	-162.8	177.6	-173.2	-174.9	2.1	114.4
725	N	56.1	Low	79.7	Confident	169 Å²	169	81.8 Å²	81.8	90%	0.904	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-82.4	-11.5	-178	-59.6	-0.2	0	0	0	114.1	G723	G723-N725 PolarHBondContact O-N 3.06Å
726	N	62.8	Low	80.2	Confident	116 Å²	116	75.7 Å²	75.7	62%	0.62	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-106.2	13.6	179.5	-162	20.8	0	0	0	112.7	G723 R728	G723-N726 PolarHBondContact O-N 3.12Å; N726-R728 PolarHBondContact O-N 3.01Å
727	A	71.2	Confident	80.7	Confident	26 Å²	26	73.9 Å²	73.9	22%	0.215	36%	0.361	C	S	.	.			trans	-66.3	113.2	173.2	0	0	0	0	0	110.1	W729	A727-W729 PolarHBondContact O-N 3.46Å
728	R	86.2	Confident	81.3	Confident	91 Å²	91	71 Å²	71	34%	0.343	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	63.4	-178.3	-69	170.3	68.3	145.4	-4.8	111.7	E712 E714 N726 R730	E712-R728 HydrophobicContact CB-CB 3.88Å; E712-R728 VanDerWaalsContact CB-O 3.31Å; E712-R728 WeakPolarHBondContact CB-O 3.25Å; E712-R728 VanDerWaalsContact CD-NE 3.32Å; E712-R728 PolarHBondContact N-O 2.97Å; E712-R728 IonicContact OE1-CZ 3.82Å; E712-R728 IonicContact OE1-NE 3.16Å; E712-R728 IonicContact OE1-NH2 3.41Å; E712-R728 PolarHBondContact OE1-NH2 3.24Å; E712-R728 IonicContact OE2-CZ 2.78Å; E712-R728 IonicContact OE2-NE 3.57Å; E712-R728 PolarHBondContact OE2-NE 3.26Å; E712-R728 IonicContact OE2-NH2 2.84Å; E712-R728 PolarHBondContact OE2-NH2 3.06Å; E712-R728 VanDerWaalsContact OE2-NH2 3.16Å; E714-R728 IonicContact OE2-NH1 2.84Å; N726-R728 PolarHBondContact O-N 3.01Å; R728-R730 PolarHBondContact O-N 2.89Å
729	W	89.8	Confident	82.1	Confident	104 Å²	104	70.1 Å²	70.1	39%	0.394	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	135.1	176	-70.1	97.6	0	0	0	112	L709 T710 A727 F800	L709-W729 HydrophobicContact CD1-CB 4.35Å; L709-W729 HydrophobicContact CD1-CD2 4.46Å; L709-W729 HydrophobicContact CD1-CE3 3.68Å; L709-W729 HydrophobicContact CD1-CZ3 4.41Å; L709-W729 HydrophobicContact CD2-CE3 4.49Å; L709-W729 HydrophobicContact CG-CE3 3.82Å; L709-W729 HydrophobicContact CG-CZ3 4.05Å; T710-W729 CarbonylContact O-C 3.56Å; T710-W729 WeakPolarHBondContact O-CA 3.47Å; A727-W729 PolarHBondContact O-N 3.46Å; W729-F800 HydrophobicContact CH2-CE1 4.42Å; W729-F800 HydrophobicContact CZ3-CE1 4.33Å
730	R	92.9	Very high	83	Confident	23 Å²	23	58.2 Å²	58.2	9%	0.087	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.2	177.8	-56.7	-63.3	171.9	-108.6	-0.7	109.4	L709 T710 E712 R728 V741 V742	L709-R730 WeakPolarHBondContact CD1-O 3.34Å; T710-R730 HydrophobicContact CG2-CB 4.31Å; T710-R730 PolarHBondContact N-O 3.19Å; T710-R730 PolarHBondContact O-N 3.22Å; T710-R730 VanDerWaalsContact O-O 3.13Å; E712-R730 HydrophobicContact CB-CG 3.87Å; E712-R730 IonicContact OE2-CZ 2.74Å; E712-R730 IonicContact OE2-NE 2.71Å; E712-R730 PolarHBondContact OE2-NE 3.05Å; E712-R730 IonicContact OE2-NH2 2.76Å; E712-R730 PolarHBondContact OE2-NH2 2.93Å; R728-R730 PolarHBondContact O-N 2.89Å; R730-V741 HydrophobicContact CB-CG1 3.81Å; R730-V741 HydrophobicContact CG-CG1 3.78Å; R730-V742 WeakPolarHBondContact CA-O 3.21Å
731	H	93.6	Very high	84.1	Confident	34 Å²	34	49.6 Å²	49.6	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.4	157	-63.2	-91.8	0	0	0	108.6	I708 V742 F806 F812	I708-H731 CarbonylContact O-C 3.52Å; I708-H731 WeakPolarHBondContact O-CA 3.4Å; H731-V742 HydrophobicContact CB-CG2 3.75Å; H731-V742 PolarHBondContact N-O 3.21Å; H731-V742 PolarHBondContact O-N 3.16Å; H731-F806 HydrophobicContact CB-CE1 4.31Å; H731-F806 HydrophobicContact CB-CZ 3.71Å; H731-F806 AromaticContact CG-CE1 3.89Å; H731-F806 AromaticContact CG-CZ 3.76Å; H731-F806 AromaticContact ND1-CE1 3.86Å; H731-F812 AromaticContact CD2-CE1 3.52Å; H731-F812 AromaticContact NE2-CE1 3.82Å
732	L	95.7	Very high	85.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.4	163.2	-53.2	-178.5	0	0	0	107.5	R707 I708 T710 L739 V741 L849 M851 F860	R707-L732 CarbonylContact C-O 3.27Å; R707-L732 WeakPolarHBondContact CA-O 3.49Å; R707-L732 WeakPolarHBondContact CB-O 3.3Å; I708-L732 PolarHBondContact N-O 3.2Å; I708-L732 PolarHBondContact O-N 2.98Å; T710-L732 HydrophobicContact CG2-CD1 3.94Å; T710-L732 HydrophobicContact CG2-CD2 3.86Å; T710-L732 HydrophobicContact CG2-CG 3.65Å; L732-L739 HydrophobicContact CB-CD1 4.05Å; L732-V741 HydrophobicContact CD2-CG1 4.31Å; L732-V741 HydrophobicContact CD2-CG2 3.92Å; L732-L849 HydrophobicContact CD1-CD1 3.86Å; L732-L849 HydrophobicContact CD2-CD1 4.49Å; L732-L849 HydrophobicContact CD2-CD2 4.5Å; L732-M851 HydrophobicContact CD1-CE 4.14Å; L732-F860 HydrophobicContact CD1-CD2 3.76Å; L732-F860 HydrophobicContact CD1-CE2 3.4Å; L732-F860 HydrophobicContact CD1-CZ 4.02Å
733	L	95.8	Very high	86.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.6	165.4	-56.4	-179.4	0	0	0	107.4	L684 L688 F704 R707 F735 V740 V742 F806	L684-L733 HydrophobicContact CD2-CD1 4.2Å; L688-L733 HydrophobicContact CD1-CD1 4.11Å; L688-L733 HydrophobicContact CD2-CD1 3.96Å; F704-L733 HydrophobicContact CE2-CB 4.24Å; F704-L733 HydrophobicContact CE2-CD2 4.06Å; R707-L733 HydrophobicContact CB-CD2 3.59Å; L733-F735 HydrophobicContact CB-CE2 3.6Å; L733-F735 HydrophobicContact CB-CZ 3.96Å; L733-V740 HydrophobicContact CB-CB 4.27Å; L733-V740 PolarHBondContact N-O 2.95Å; L733-V740 PolarHBondContact O-N 2.95Å; L733-V742 HydrophobicContact CD1-CG1 4.22Å; L733-F806 HydrophobicContact CD1-CE2 4.09Å; L733-F806 HydrophobicContact CD2-CD2 4.44Å; L733-F806 HydrophobicContact CD2-CE2 3.67Å; L733-F806 HydrophobicContact CD2-CZ 3.92Å; L733-F806 HydrophobicContact CG-CE2 4.3Å
734	I	96.4	Very high	87.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.6	-171.8	-61.1	146.9	0	0	0	107.7	I705 G706 I708 L739 F820 F860 W863	I705-I734 HydrophobicContact CB-CG2 4.3Å; I705-I734 PolarHBondContact N-O 2.91Å; G706-I734 PolarHBondContact N-O 2.68Å; G706-I734 PolarHBondContact O-N 3.05Å; I708-I734 HydrophobicContact CD1-CD1 4.3Å; I708-I734 HydrophobicContact CG1-CD1 4.33Å; I734-L739 HydrophobicContact CG1-CD1 3.65Å; I734-F820 HydrophobicContact CG2-CE2 4.07Å; I734-F820 HydrophobicContact CG2-CZ 3.97Å; I734-F860 HydrophobicContact CD1-CD2 3.73Å; I734-F860 HydrophobicContact CD1-CE2 3.94Å; I734-F860 HydrophobicContact CG1-CE2 4.3Å; I734-W863 HydrophobicContact CD1-CB 4.5Å; I734-W863 HydrophobicContact CD1-CE3 3.69Å; I734-W863 HydrophobicContact CD1-CZ3 4.39Å; I734-W863 HydrophobicContact CG2-CB 4.14Å
735	F	96.2	Very high	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	170.2	174.3	-52.4	-94.7	0	0	0	108.8	L681 L684 F697 R702 R703 F704 L733 D737 I738 V740 F820 S867	L681-F735 HydrophobicContact CD2-CD1 3.8Å; L681-F735 HydrophobicContact CD2-CE1 3.55Å; L684-F735 HydrophobicContact CD1-CE1 4.04Å; L684-F735 HydrophobicContact CD1-CZ 3.99Å; F697-F735 HydrophobicContact CE2-CE1 4.39Å; F697-F735 HydrophobicContact CE2-CE2 4.25Å; F697-F735 AromaticContact CE2-CZ 3.88Å; F697-F735 HydrophobicContact CE2-CZ 3.88Å; F697-F735 AromaticContact CZ-CE1 3.94Å; F697-F735 HydrophobicContact CZ-CE1 3.94Å; F697-F735 HydrophobicContact CZ-CE2 4.39Å; F697-F735 AromaticContact CZ-CZ 3.59Å; F697-F735 HydrophobicContact CZ-CZ 3.59Å; R702-F735 HydrophobicContact CG-CB 3.95Å; R702-F735 HydrophobicContact CG-CD1 3.72Å; R702-F735 HydrophobicContact CG-CG 4.05Å; R703-F735 CarbonylContact O-C 3.55Å; R703-F735 WeakPolarHBondContact O-CA 3.35Å; R703-F735 WeakPolarHBondContact O-CB 3.18Å; F704-F735 HydrophobicContact CB-CD1 4.03Å; F704-F735 HydrophobicContact CB-CE1 3.93Å; F704-F735 HydrophobicContact CD2-CD1 4.13Å; F704-F735 AromaticContact CD2-CE1 3.63Å; F704-F735 HydrophobicContact CD2-CE1 3.63Å; F704-F735 AromaticContact CD2-CZ 3.9Å; F704-F735 HydrophobicContact CD2-CZ 3.9Å; F704-F735 HydrophobicContact CG-CE1 4.25Å; L733-F735 HydrophobicContact CB-CE2 3.6Å; L733-F735 HydrophobicContact CB-CZ 3.96Å; F735-D737 VanDerWaalsContact C-N 3.3Å; F735-D737 PolarHBondContact O-N 2.95Å; F735-I738 HydrophobicContact CB-CG1 4.15Å; F735-I738 WeakPolarHBondContact CB-O 3.15Å; F735-I738 HydrophobicContact CD2-CD1 4.4Å; F735-I738 HydrophobicContact CD2-CG1 3.8Å; F735-I738 WeakPolarHBondContact CD2-O 3.44Å; F735-I738 HydrophobicContact CG-CG1 4.19Å; F735-I738 PolarHBondContact N-O 3.2Å; F735-V740 HydrophobicContact CD2-CG2 4.16Å; F735-V740 HydrophobicContact CE2-CB 4.16Å; F735-V740 HydrophobicContact CE2-CG2 3.72Å; F735-F820 WeakPolarHBondContact O-CD2 3Å; F735-F820 WeakPolarHBondContact O-CE2 3.33Å; F735-S867 PolarHBondContact O-OG 3.34Å
736	N	95.2	Very high	89.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-61.7	-37.8	173.8	62.1	-38	0	0	0	112.6	T490 H701 R702 R703 I705 S867 E870 M871	T490-N736 PolarHBondContact OG1-ND2 3.23Å; T490-N736 VanDerWaalsContact OG1-ND2 3.14Å; H701-N736 PolarHBondContact O-ND2 2.99Å; R702-N736 WeakPolarHBondContact CA-OD1 3.43Å; R703-N736 PolarHBondContact N-OD1 3.48Å; R703-N736 PolarHBondContact O-N 3.44Å; R703-N736 VanDerWaalsContact O-N 3.14Å; I705-N736 HydrophobicContact CD1-CB 4.36Å; N736-S867 VanDerWaalsContact O-CB 3.31Å; N736-S867 WeakPolarHBondContact O-CB 3.41Å; N736-E870 PolarHBondContact ND2-OE1 3.02Å; N736-M871 HydrophobicContact CB-CE 4.38Å; N736-M871 WeakPolarHBondContact O-CE 3.49Å; N736-M871 WeakPolarHBondContact O-CG 3.39Å
737	D	95.4	Very high	88.6	Confident	18 Å²	18	35.8 Å²	35.8	10%	0.096	18%	0.18	C	C	.	.	S	Bend	trans	-102.1	-28	-174	73.5	-39.6	0	0	0	115.3	R702 F735 F820 M871	R702-D737 WeakPolarHBondContact CG-OD1 3.17Å; R702-D737 IonicContact CZ-OD1 2.69Å; R702-D737 IonicContact CZ-OD2 2.77Å; R702-D737 IonicContact NE-OD1 2.69Å; R702-D737 PolarHBondContact NE-OD1 3.11Å; R702-D737 IonicContact NE-OD2 3.46Å; R702-D737 PolarHBondContact NE-OD2 3.07Å; R702-D737 IonicContact NH2-OD1 3.53Å; R702-D737 IonicContact NH2-OD2 3.59Å; R702-D737 PolarHBondContact NH2-OD2 3.46Å; F735-D737 VanDerWaalsContact C-N 3.3Å; F735-D737 PolarHBondContact O-N 2.95Å; D737-F820 PolarHBondContact O-N 3.5Å; D737-M871 HydrophobicContact CB-CE 4.23Å; D737-M871 HydrophobicContact CB-SD 3.76Å
738	I	95.6	Very high	87	Confident	15 Å²	15	40.2 Å²	40.2	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.3	-177.6	64.4	173	0	0	0	113.8	R702 F735 V740 V817 Y818 F820	R702-I738 VanDerWaalsContact CZ-CD1 3.5Å; F735-I738 HydrophobicContact CB-CG1 4.15Å; F735-I738 WeakPolarHBondContact CB-O 3.15Å; F735-I738 HydrophobicContact CD2-CD1 4.4Å; F735-I738 HydrophobicContact CD2-CG1 3.8Å; F735-I738 WeakPolarHBondContact CD2-O 3.44Å; F735-I738 HydrophobicContact CG-CG1 4.19Å; F735-I738 PolarHBondContact N-O 3.2Å; I738-V740 HydrophobicContact CD1-CG2 3.56Å; I738-V740 HydrophobicContact CG1-CG2 4.06Å; I738-V817 HydrophobicContact CB-CG1 4.2Å; I738-V817 HydrophobicContact CD1-CG1 3.99Å; I738-V817 HydrophobicContact CG2-CG1 4.39Å; I738-Y818 CarbonylContact C-O 3.53Å; I738-Y818 WeakPolarHBondContact CA-O 3.23Å; I738-F820 VanDerWaalsContact C-CE2 3.44Å; I738-F820 WeakPolarHBondContact O-CE2 3.3Å
739	L	96.3	Very high	84.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.1	162.8	177.6	64.7	0	0	0	109.2	L732 I734 V817 Y818 F820 L839 F860	L732-L739 HydrophobicContact CB-CD1 4.05Å; I734-L739 HydrophobicContact CG1-CD1 3.65Å; L739-V817 CarbonylContact O-C 3.6Å; L739-V817 WeakPolarHBondContact O-CA 3.46Å; L739-Y818 HydrophobicContact CD2-CD2 4.22Å; L739-Y818 HydrophobicContact CG-CD2 4.5Å; L739-Y818 PolarHBondContact N-O 3.1Å; L739-Y818 PolarHBondContact O-N 3.31Å; L739-F820 HydrophobicContact CB-CE1 4.43Å; L739-F820 HydrophobicContact CB-CE2 4.01Å; L739-F820 HydrophobicContact CB-CZ 3.84Å; L739-F820 HydrophobicContact CD1-CZ 4.5Å; L739-L839 HydrophobicContact CD2-CD1 3.29Å; L739-F860 HydrophobicContact CD1-CE2 4.48Å
740	V	95.8	Very high	81.6	Confident	3 Å²	3	49 Å²	49	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.1	176.6	-176.7	0	0	0	0	109.6	F697 L733 F735 I738 V742 V814 V817	F697-V740 HydrophobicContact CE2-CG2 4.46Å; L733-V740 HydrophobicContact CB-CB 4.27Å; L733-V740 PolarHBondContact N-O 2.95Å; L733-V740 PolarHBondContact O-N 2.95Å; F735-V740 HydrophobicContact CD2-CG2 4.16Å; F735-V740 HydrophobicContact CE2-CB 4.16Å; F735-V740 HydrophobicContact CE2-CG2 3.72Å; I738-V740 HydrophobicContact CD1-CG2 3.56Å; I738-V740 HydrophobicContact CG1-CG2 4.06Å; V740-V742 HydrophobicContact CG1-CG1 3.72Å; V740-V814 HydrophobicContact CG1-CG1 3.93Å; V740-V814 HydrophobicContact CG1-CG2 4.36Å; V740-V817 HydrophobicContact CG1-CG2 4.23Å; V740-V817 HydrophobicContact CG2-CG1 4.23Å; V740-V817 HydrophobicContact CG2-CG2 4.25Å
741	V	95.7	Very high	78.6	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.9	177.5	-173.6	0	0	0	0	109.1	R730 L732 R815 S816 Y818 I847	R730-V741 HydrophobicContact CB-CG1 3.81Å; R730-V741 HydrophobicContact CG-CG1 3.78Å; L732-V741 HydrophobicContact CD2-CG1 4.31Å; L732-V741 HydrophobicContact CD2-CG2 3.92Å; V741-R815 WeakPolarHBondContact O-CB 3.35Å; V741-R815 PolarHBondContact O-N 2.77Å; V741-S816 WeakPolarHBondContact CB-OG 3.5Å; V741-S816 PolarHBondContact N-O 3.22Å; V741-S816 PolarHBondContact O-N 2.85Å; V741-Y818 HydrophobicContact CG2-CD2 4.28Å; V741-Y818 HydrophobicContact CG2-CE2 3.77Å; V741-I847 HydrophobicContact CG1-CD1 4.42Å; V741-I847 HydrophobicContact CG2-CD1 3.93Å
742	V	94.5	Very high	75.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151	-175.7	-47.3	0	0	0	0	112.5	L688 R730 H731 L733 V740 F806 F812 Q813 V814	L688-V742 HydrophobicContact CD2-CG1 3.77Å; R730-V742 WeakPolarHBondContact CA-O 3.21Å; H731-V742 HydrophobicContact CB-CG2 3.75Å; H731-V742 PolarHBondContact N-O 3.21Å; H731-V742 PolarHBondContact O-N 3.16Å; L733-V742 HydrophobicContact CD1-CG1 4.22Å; V740-V742 HydrophobicContact CG1-CG1 3.72Å; V742-F806 HydrophobicContact CG2-CE2 4.19Å; V742-F806 HydrophobicContact CG2-CZ 4.16Å; V742-F812 HydrophobicContact CB-CB 3.99Å; V742-F812 HydrophobicContact CG2-CB 3.82Å; V742-F812 HydrophobicContact CG2-CD1 3.83Å; V742-F812 HydrophobicContact CG2-CG 4.08Å; V742-Q813 CarbonylContact C-O 3.55Å; V742-Q813 VanDerWaalsContact CA-O 3.3Å; V742-Q813 WeakPolarHBondContact CA-O 3.43Å; V742-V814 HydrophobicContact CG1-CG2 4.38Å
743	K	91.7	Very high	72.2	Confident	92 Å²	92	68.1 Å²	68.1	40%	0.4	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.8	172.9	-176.1	-166.3	168.9	-173.9	0	108.6	L745 F812 Q813 R815	K743-L745 PolarHBondContact O-N 2.88Å; K743-F812 WeakPolarHBondContact O-CA 3.26Å; K743-Q813 PolarHBondContact N-O 3.45Å; K743-Q813 PolarHBondContact O-N 3.44Å; K743-R815 HydrophobicContact CB-CG 3.8Å
744	S	86.5	Confident	69.1	Low	42 Å²	42	71.2 Å²	71.2	29%	0.294	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	133.7	169.1	-163	0	0	0	0	109.7	F812	S744-F812 VanDerWaalsContact CA-CD1 3.45Å
745	L	84.1	Confident	66.1	Low	54 Å²	54	79.7 Å²	79.7	28%	0.283	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-88.7	138	162.4	-59	178.3	0	0	0	107.3	I689 K743 T747 T811 Q813	I689-L745 HydrophobicContact CD1-CD1 3.64Å; I689-L745 HydrophobicContact CG1-CD1 4.2Å; K743-L745 PolarHBondContact O-N 2.88Å; L745-T747 PolarHBondContact O-N 3.06Å; L745-T811 PolarHBondContact N-O 3.31Å; L745-Q813 HydrophobicContact CD1-CB 4.37Å; L745-Q813 HydrophobicContact CD2-CB 4.08Å; L745-Q813 HydrophobicContact CG-CB 4.27Å
746	N	62.9	Low	63.3	Low	140 Å²	140	85.8 Å²	85.8	75%	0.749	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-65.6	136.2	171.6	-69.4	14	0	0	0	107.5	T748	N746-T748 PolarHBondContact O-N 3.36Å
747	T	49.2	Very low	60.4	Low	108 Å²	108	91.6 Å²	91.6	66%	0.663	49%	0.492	S	S	*	.			trans	-67.7	95.8	179.6	-177.1	0	0	0	0	110.6	L745	L745-T747 PolarHBondContact O-N 3.06Å
748	T	37.5	Very low	57.5	Low	119 Å²	119	96.3 Å²	96.3	73%	0.73	53%	0.526	S	S	*	.			trans	-91.5	107.5	174.3	56.3	0	0	0	0	109.1	N746	N746-T748 PolarHBondContact O-N 3.36Å
749	R	32	Very low	54.7	Low	230 Å²	230	100.7 Å²	100.7	87%	0.868	55%	0.553	S	S	*	*			trans	81.6	71.3	173.3	-47.4	175.3	-176.4	-159.4	-0.4	116.6
750	L	31.6	Very low	51.6	Low	151 Å²	151	102.9 Å²	102.9	79%	0.791	57%	0.572	S	S	*	*	S	Bend		-96.9	158.9	109.3	-73.9	178.8	0	0	0	108.8
751	R	30	Very low	48.9	Very low	246 Å²	246	109.2 Å²	109.2	93%	0.928	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-75.4	157.3	-167	-66.9	-178.9	179	177.4	0.5	111.9	G753	R751-G753 PolarHBondContact O-N 3.09Å
752	S	27	Very low	46.2	Very low	134 Å²	134	115.8 Å²	115.8	94%	0.937	65%	0.65	S	S	*	*	S	Bend	trans	-52.8	125.4	171.2	-48.4	0	0	0	0	110.9
753	G	26.7	Very low	43.3	Very low	78 Å²	78	119 Å²	119	80%	0.804	68%	0.677	S	S	*	*			trans	143.3	47	177.1	0	0	0	0	0	116.7	R751	R751-G753 PolarHBondContact O-N 3.09Å
754	S	30.3	Very low	40.6	Very low	64 Å²	64	123.8 Å²	123.8	45%	0.448	70%	0.698	S	S	.	*			trans	-170.5	124.2	153.4	-179.9	0	0	0	0	110.4	I756 N757	S754-I756 WeakPolarHBondContact OG-CB 3.45Å; S754-I756 PolarHBondContact OG-N 3.46Å; S754-N757 WeakPolarHBondContact CB-OD1 3.38Å; S754-N757 PolarHBondContact OG-OD1 2.91Å
755	L	33.4	Very low	38	Very low	179 Å²	179	124.1 Å²	124.1	94%	0.937	71%	0.707	S	S	*	*	S	Bend	trans	-98.3	11.3	161.9	-77	168.5	0	0	0	111.5
756	I	38.2	Very low	35.7	Very low	128 Å²	128	128.1 Å²	128.1	66%	0.656	73%	0.729	S	S	*	*			trans	-103.1	-23.3	-160.3	-51.8	172.3	0	0	0	111.8	S754 S758 V759	S754-I756 WeakPolarHBondContact OG-CB 3.45Å; S754-I756 PolarHBondContact OG-N 3.46Å; I756-S758 PolarHBondContact O-N 2.65Å; I756-V759 PolarHBondContact O-N 3.38Å
757	N	34.4	Very low	34.3	Very low	122 Å²	122	130.3 Å²	130.3	65%	0.652	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-8.6	-172.8	-69.9	45.4	0	0	0	114.8	S754 V759	S754-N757 WeakPolarHBondContact CB-OD1 3.38Å; S754-N757 PolarHBondContact OG-OD1 2.91Å; N757-V759 PolarHBondContact O-N 3.31Å
758	S	34.6	Very low	33.7	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-13.3	173.7	-63.6	0	0	0	0	114.2	I756	I756-S758 PolarHBondContact O-N 2.65Å
759	V	35.4	Very low	33.6	Very low	107 Å²	107	131 Å²	131	65%	0.648	75%	0.747	S	S	*	*	S	Bend	trans	-96.1	-21.6	179.5	-176.2	0	0	0	0	112.3	I756 N757 V761 V762	I756-V759 PolarHBondContact O-N 3.38Å; N757-V759 PolarHBondContact O-N 3.31Å; V759-V761 PolarHBondContact O-N 2.79Å; V759-V762 PolarHBondContact O-N 3.17Å
760	A	33.1	Very low	33.7	Very low	46 Å²	46	125.9 Å²	125.9	38%	0.38	74%	0.742	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.2	-5.8	-166.9	0	0	0	0	0	116.1
761	V	37.2	Very low	33.7	Very low	137 Å²	137	128.7 Å²	128.7	83%	0.83	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-7	-179	-173.7	0	0	0	0	112.4	V759	V759-V761 PolarHBondContact O-N 2.79Å
762	V	40	Very low	34	Very low	139 Å²	139	123.8 Å²	123.8	84%	0.842	73%	0.729	S	S	*	*	S	Bend	trans	-108.7	4.8	179.2	-159	0	0	0	0	112	V759	V759-V762 PolarHBondContact O-N 3.17Å
763	A	34.4	Very low	34.1	Very low	68 Å²	68	127.1 Å²	127.1	56%	0.562	72%	0.722	S	S	*	*			trans	-116.1	12.5	-163.9	0	0	0	0	0	115.6
764	F	33.6	Very low	34.5	Very low	192 Å²	192	129 Å²	129	84%	0.842	72%	0.718	S	S	*	*			trans	-111.5	57.2	176.2	-70.7	-74.2	0	0	0	111.8
765	G	33.1	Very low	34.6	Very low	48 Å²	48	131.9 Å²	131.9	50%	0.495	74%	0.736	S	S	.	*			trans	-92.6	163.3	155.8	0	0	0	0	0	110.7
766	D	34.9	Very low	34.6	Very low	138 Å²	138	134.1 Å²	134.1	74%	0.738	73%	0.732	S	S	*	*			trans	-41	141.9	-165.7	-57.6	-60.6	0	0	0	118.5
767	Q	34.8	Very low	34.4	Very low	186 Å²	186	134.7 Å²	134.7	87%	0.869	74%	0.736	S	S	*	*			trans	-118.5	85.7	168.5	-79.4	-70.1	-25.7	0	0	110.3
768	N	35.3	Very low	34.4	Very low	170 Å²	170	133.2 Å²	133.2	91%	0.909	74%	0.735	S	S	*	*			trans	-142.2	88.8	171.7	-119.7	-9.4	0	0	0	107.3
769	G	34.9	Very low	34.5	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	74%	0.735	S	S	*	*			trans	175.1	47.6	-165.5	0	0	0	0	0	117.3
770	T	34.9	Very low	34.5	Very low	124 Å²	124	133.6 Å²	133.6	76%	0.761	74%	0.737	S	S	*	*			trans	-22.9	124.5	165.2	-56.5	0	0	0	0	117.8
771	R	31.9	Very low	34.6	Very low	210 Å²	210	141.9 Å²	141.9	79%	0.792	76%	0.758	S	S	*	*			trans	92.8	135.9	144.8	-84.2	172.2	-167.9	-172.5	3.6	124
772	H	34.9	Very low	34.5	Very low	143 Å²	143	141.6 Å²	141.6	66%	0.662	75%	0.752	S	S	*	*			trans	95.6	108.2	146.7	-67.8	-56.1	0	0	0	122.8
773	Y	30.1	Very low	34.3	Very low	203 Å²	203	142.7 Å²	142.7	80%	0.796	75%	0.753	S	S	*	*				45.9	143.4	124.8	-79.3	-117.8	0	0	0	121.2
774	T	34.9	Very low	34.3	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	76%	0.76	S	S	*	*			cis	-168.4	144.9	-17.5	18.2	0	0	0	0	107.9
775	P	33.2	Very low	34.4	Very low	125 Å²	125	140.5 Å²	140.5	81%	0.812	76%	0.758	S	S	*	*			trans	-102.8	152.6	-175.5	37.7	-34.1	0	0	0	115.3
776	R	32.1	Very low	34.3	Very low	226 Å²	226	143.8 Å²	143.8	85%	0.853	77%	0.772	S	S	*	*			trans	-164.2	133.3	156	-112.1	-175.3	-171.8	-163	2.2	112.8
777	N	35.4	Very low	34.2	Very low	140 Å²	140	142.8 Å²	142.8	75%	0.749	78%	0.775	S	S	*	*			trans	57.5	155.7	143.9	-63.6	12.5	0	0	0	120.3
778	S	33.6	Very low	34.1	Very low	91 Å²	91	139.6 Å²	139.6	64%	0.636	77%	0.771	S	S	*	*			cis	178.9	160.4	-25	56.5	0	0	0	0	108.4
779	V	35.8	Very low	33.9	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	77%	0.773	S	S	*	*			trans	69.9	147.1	164.5	174.2	0	0	0	0	114.9
780	S	36.1	Very low	33.7	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	77%	0.769	S	S	*	*			cis	-165.8	143	-31.1	-89.7	0	0	0	0	110.4
781	R	35.2	Very low	33.6	Very low	219 Å²	219	141.3 Å²	141.3	83%	0.826	77%	0.771	S	S	*	*			trans	60.5	150.8	144.4	-93.4	-170.2	177.6	167.6	0.6	123.7
782	D	35.3	Very low	33.5	Very low	132 Å²	132	138 Å²	138	71%	0.706	77%	0.774	S	S	*	*			trans	58.4	107.1	150.4	-49.1	-17.6	0	0	0	119.6
783	D	35.9	Very low	33.2	Very low	162 Å²	162	139.3 Å²	139.3	87%	0.866	78%	0.78	S	S	*	*				-153.4	178.5	98.2	-141.4	-33.1	0	0	0	111.5
784	S	34.1	Very low	32.9	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	78%	0.778	S	S	*	*			trans	-131.8	145.6	-158.5	64.7	0	0	0	0	116.1
785	S	35.5	Very low	32.6	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	77%	0.771	S	S	*	*			trans	176.6	157.4	140	46.5	0	0	0	0	114.8
786	C	31.9	Very low	32.7	Very low	117 Å²	117	135.3 Å²	135.3	79%	0.791	77%	0.769	S	S	*	*			trans	72.6	119.9	156.1	-71.3	0	0	0	0	123.7
787	S	31.5	Very low	33.1	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	77%	0.766	S	S	*	*			trans	76.5	115	153.9	74.6	0	0	0	0	119.9
788	P	33.3	Very low	34.2	Very low	119 Å²	119	132.7 Å²	132.7	77%	0.773	76%	0.76	S	S	*	*			trans	-120.9	67.7	178	41.1	-29.6	0	0	0	114.3
789	F	31.5	Very low	35.9	Very low	216 Å²	216	133 Å²	133	95%	0.947	76%	0.758	S	S	*	*			trans	-140.8	105.3	169.7	-83.4	-72.2	0	0	0	113.2
790	G	30.5	Very low	38.1	Very low	64 Å²	64	130.1 Å²	130.1	66%	0.66	73%	0.734	S	S	*	*			trans	-177.9	122.4	171.6	0	0	0	0	0	111.1
791	P	32	Very low	40.5	Very low	122 Å²	122	127.1 Å²	127.1	79%	0.792	71%	0.713	S	S	*	*			trans	-78.2	124.5	-177.5	30.1	-33.2	0	0	0	111.5	Q793	P791-Q793 PolarHBondContact O-N 2.64Å
792	V	30.3	Very low	43	Very low	141 Å²	141	118 Å²	118	86%	0.855	68%	0.682	S	S	*	*			trans	-64	114.5	177.4	179.4	0	0	0	0	110.4	D794	V792-D794 PolarHBondContact O-N 3.32Å
793	Q	28.3	Very low	45.6	Very low	169 Å²	169	115.4 Å²	115.4	79%	0.79	67%	0.672	S	S	*	*			trans	-83.9	80.7	175.7	-80.3	-166.5	-0.2	0	0	111.7	P791 V795	P791-Q793 PolarHBondContact O-N 2.64Å; Q793-V795 VanDerWaalsContact C-N 3.26Å; Q793-V795 HydrophobicContact CB-CG2 3.92Å; Q793-V795 HydrophobicContact CG-CG2 4.4Å; Q793-V795 PolarHBondContact O-N 2.89Å
794	D	25	Very low	48.1	Very low	143 Å²	143	112 Å²	112	77%	0.765	65%	0.65	S	S	*	*			trans	-81.4	70.3	171.3	-164.5	4.9	0	0	0	111	V792 T796	V792-D794 PolarHBondContact O-N 3.32Å; D794-T796 PolarHBondContact O-N 3.03Å
795	V	28.3	Very low	50.5	Low	95 Å²	95	108.1 Å²	108.1	58%	0.576	62%	0.623	S	S	*	*			trans	-93.5	83.6	-168.5	-175.6	0	0	0	0	111.7	Q793 Q797	Q793-V795 VanDerWaalsContact C-N 3.26Å; Q793-V795 HydrophobicContact CB-CG2 3.92Å; Q793-V795 HydrophobicContact CG-CG2 4.4Å; Q793-V795 PolarHBondContact O-N 2.89Å; V795-Q797 HydrophobicContact CG1-CG 4.01Å; V795-Q797 PolarHBondContact O-N 2.82Å
796	T	34.2	Very low	52.8	Low	125 Å²	125	103.5 Å²	103.5	77%	0.767	59%	0.589	S	S	*	*			trans	-69.8	94.2	159.9	42.7	0	0	0	0	109.9	D794 K798	D794-T796 PolarHBondContact O-N 3.03Å; T796-K798 PolarHBondContact O-N 3.49Å
797	Q	40.7	Very low	54.7	Low	170 Å²	170	101.2 Å²	101.2	79%	0.794	58%	0.578	S	S	*	*			trans	-60	102.9	178.3	-78.6	-163.5	-2.5	0	0	111.3	V795 V799	V795-Q797 HydrophobicContact CG1-CG 4.01Å; V795-Q797 PolarHBondContact O-N 2.82Å; Q797-V799 PolarHBondContact O-N 3.25Å
798	K	59.1	Low	56.3	Low	140 Å²	140	101.1 Å²	101.1	61%	0.609	57%	0.573	S	S	*	*			trans	-74.8	98	-179.5	-165.6	172.4	-167.6	171.3	0	110	L709 T796 F800	L709-K798 HydrophobicContact CD2-CD 4.41Å; T796-K798 PolarHBondContact O-N 3.49Å; K798-F800 HydrophobicContact CB-CE2 4.29Å; K798-F800 HydrophobicContact CB-CZ 4.36Å; K798-F800 HydrophobicContact CD-CE1 4.43Å; K798-F800 HydrophobicContact CD-CZ 4.3Å; K798-F800 HydrophobicContact CG-CZ 4.48Å; K798-F800 WeakPolarHBondContact O-CD2 3.47Å; K798-F800 WeakPolarHBondContact O-CE2 3.23Å; K798-F800 PolarHBondContact O-N 3.19Å
799	V	69.3	Low	58.3	Low	99 Å²	99	101.3 Å²	101.3	60%	0.6	57%	0.568	S	S	*	*			trans	-58.7	105	-179.6	-178.6	0	0	0	0	110.6	Q797 C801	Q797-V799 PolarHBondContact O-N 3.25Å; V799-C801 WeakPolarHBondContact CG1-O 3.4Å
800	F	81.3	Confident	60.8	Low	72 Å²	72	93.5 Å²	93.5	32%	0.316	54%	0.538	S	S	.	.			trans	-85.7	-28	-177.2	-74.3	-74.2	0	0	0	113.7	I708 L709 W729 K798 P852	I708-F800 CarbonylContact C-O 3.58Å; I708-F800 VanDerWaalsContact CA-O 3.3Å; I708-F800 WeakPolarHBondContact CA-O 3.36Å; L709-F800 HydrophobicContact CB-CD1 4.13Å; L709-F800 HydrophobicContact CD2-CD1 3.95Å; L709-F800 HydrophobicContact CD2-CE1 4.04Å; L709-F800 HydrophobicContact CG-CD1 4.11Å; L709-F800 HydrophobicContact CG-CE1 4.45Å; L709-F800 PolarHBondContact N-O 3.02Å; W729-F800 HydrophobicContact CH2-CE1 4.42Å; W729-F800 HydrophobicContact CZ3-CE1 4.33Å; K798-F800 HydrophobicContact CB-CE2 4.29Å; K798-F800 HydrophobicContact CB-CZ 4.36Å; K798-F800 HydrophobicContact CD-CE1 4.43Å; K798-F800 HydrophobicContact CD-CZ 4.3Å; K798-F800 HydrophobicContact CG-CZ 4.48Å; K798-F800 WeakPolarHBondContact O-CD2 3.47Å; K798-F800 WeakPolarHBondContact O-CE2 3.23Å; K798-F800 PolarHBondContact O-N 3.19Å; F800-P852 HydrophobicContact CB-CB 4.49Å; F800-P852 HydrophobicContact CB-CG 3.73Å; F800-P852 HydrophobicContact CD1-CB 3.54Å; F800-P852 HydrophobicContact CD1-CG 3.5Å; F800-P852 HydrophobicContact CD2-CB 4.32Å; F800-P852 HydrophobicContact CD2-CG 4.43Å; F800-P852 HydrophobicContact CE1-CB 3.69Å; F800-P852 HydrophobicContact CE1-CG 4.19Å; F800-P852 HydrophobicContact CE2-CB 4.45Å; F800-P852 HydrophobicContact CG-CB 3.88Å; F800-P852 HydrophobicContact CG-CG 3.65Å; F800-P852 HydrophobicContact CZ-CB 4.16Å
801	C	86.7	Confident	63.6	Low	34 Å²	34	93.4 Å²	93.4	23%	0.23	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138	-178.8	-71.6	0	0	0	0	109.6	R707 I708 V799 C856	R707-C801 WeakPolarHBondContact O-CA 3.37Å; I708-C801 HydrophobicContact CG1-CB 4.32Å; I708-C801 VanDerWaalsContact CG1-SG 3.59Å; V799-C801 WeakPolarHBondContact CG1-O 3.4Å; C801-C856 WeakPolarHBondContact CB-SG 3.46Å; C801-C856 VanDerWaalsContact SG-CA 3.51Å; C801-C856 WeakPolarHBondContact SG-CB 3.38Å; C801-C856 CovalentContact SG-SG 2.04Å; C801-C856 PolarHBondContact SG-SG 3.06Å
802	S	89.2	Confident	66.4	Low	27 Å²	27	87.8 Å²	87.8	19%	0.189	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	144	-179.5	-179	0	0	0	0	112.3	G706 R707 E804	G706-S802 CarbonylContact C-O 3.54Å; G706-S802 VanDerWaalsContact CA-O 3.28Å; G706-S802 WeakPolarHBondContact CA-O 3.42Å; R707-S802 PolarHBondContact N-O 3.48Å; R707-S802 PolarHBondContact O-N 2.92Å; S802-E804 PolarHBondContact OG-N 3.36Å
803	T	89.6	Confident	69.4	Low	78 Å²	78	83.8 Å²	83.8	48%	0.479	46%	0.459	S	S	.	.	S	Bend	trans	-83	-8.6	172.5	44.8	0	0	0	0	113.8	F704 W863	F704-T803 WeakPolarHBondContact CE1-O 3.43Å; T803-W863 HydrophobicContact CG2-CH2 4.34Å; T803-W863 HydrophobicContact CG2-CZ2 3.73Å
804	E	88.1	Confident	72.6	Confident	90 Å²	90	76 Å²	76	42%	0.421	42%	0.423	S	S	.	.	S	Bend	trans	-98.7	149.7	178.3	-68.8	-49.7	134.3	0	0	112.3	K680 R707 S802	K680-E804 WeakPolarHBondContact CE-OE2 3.31Å; K680-E804 IonicContact NZ-OE1 2.69Å; K680-E804 PolarHBondContact NZ-OE1 3.19Å; K680-E804 IonicContact NZ-OE2 2.83Å; K680-E804 PolarHBondContact NZ-OE2 3.32Å; R707-E804 WeakPolarHBondContact CD-O 3.39Å; R707-E804 PolarHBondContact NE-O 2.99Å; S802-E804 PolarHBondContact OG-N 3.36Å
805	P	84.7	Confident	75.9	Confident	20 Å²	20	74.9 Å²	74.9	13%	0.13	41%	0.408	C	S	.	.			trans	-68.8	-175.5	179.6	30.6	-35.3	0	0	0	112	K680 L684 F704 R707	K680-P805 HydrophobicContact CG-CG 4.49Å; L684-P805 HydrophobicContact CD1-CB 4.15Å; L684-P805 HydrophobicContact CD2-CB 3.63Å; L684-P805 HydrophobicContact CG-CB 3.7Å; F704-P805 HydrophobicContact CE1-CB 4.33Å; R707-P805 VanDerWaalsContact CZ-O 3.28Å; R707-P805 PolarHBondContact NE-O 3.45Å; R707-P805 PolarHBondContact NH2-O 3.2Å
806	F	83.6	Confident	79	Confident	17 Å²	17	71.3 Å²	71.3	8%	0.075	39%	0.387	C	S	.	.			trans	-69.6	146.3	173.3	-62.4	-64.4	0	0	0	111.8	L684 V687 H731 L733 V742 F812	L684-F806 HydrophobicContact CD2-CD2 3.87Å; V687-F806 HydrophobicContact CG1-CB 4.42Å; V687-F806 HydrophobicContact CG1-CD2 4.39Å; H731-F806 HydrophobicContact CB-CE1 4.31Å; H731-F806 HydrophobicContact CB-CZ 3.71Å; H731-F806 AromaticContact CG-CE1 3.89Å; H731-F806 AromaticContact CG-CZ 3.76Å; H731-F806 AromaticContact ND1-CE1 3.86Å; L733-F806 HydrophobicContact CD1-CE2 4.09Å; L733-F806 HydrophobicContact CD2-CD2 4.44Å; L733-F806 HydrophobicContact CD2-CE2 3.67Å; L733-F806 HydrophobicContact CD2-CZ 3.92Å; L733-F806 HydrophobicContact CG-CE2 4.3Å; V742-F806 HydrophobicContact CG2-CE2 4.19Å; V742-F806 HydrophobicContact CG2-CZ 4.16Å; F806-F812 HydrophobicContact CB-CE2 3.97Å; F806-F812 HydrophobicContact CD1-CD2 4.4Å; F806-F812 HydrophobicContact CD1-CE1 4.19Å; F806-F812 AromaticContact CD1-CE2 3.53Å; F806-F812 HydrophobicContact CD1-CE2 3.53Å; F806-F812 AromaticContact CD1-CZ 3.42Å; F806-F812 HydrophobicContact CD1-CZ 3.42Å; F806-F812 VanDerWaalsContact CD1-CZ 3.42Å; F806-F812 AromaticContact CD2-CD2 3.59Å; F806-F812 HydrophobicContact CD2-CD2 3.59Å; F806-F812 AromaticContact CD2-CE2 3.5Å; F806-F812 HydrophobicContact CD2-CE2 3.5Å; F806-F812 HydrophobicContact CD2-CG 4.23Å; F806-F812 HydrophobicContact CD2-CZ 4.1Å; F806-F812 HydrophobicContact CE1-CD1 4.28Å; F806-F812 HydrophobicContact CE1-CD2 4.44Å; F806-F812 AromaticContact CE1-CE1 3.6Å; F806-F812 HydrophobicContact CE1-CE1 3.6Å; F806-F812 AromaticContact CE1-CE2 3.77Å; F806-F812 HydrophobicContact CE1-CE2 3.77Å; F806-F812 AromaticContact CE1-CZ 3.31Å; F806-F812 HydrophobicContact CE1-CZ 3.31Å; F806-F812 AromaticContact CE2-CD1 3.99Å; F806-F812 HydrophobicContact CE2-CD1 3.99Å; F806-F812 AromaticContact CE2-CD2 3.6Å; F806-F812 HydrophobicContact CE2-CD2 3.6Å; F806-F812 HydrophobicContact CE2-CE1 4.11Å; F806-F812 AromaticContact CE2-CE2 3.71Å; F806-F812 HydrophobicContact CE2-CE2 3.71Å; F806-F812 AromaticContact CE2-CG 3.77Å; F806-F812 HydrophobicContact CE2-CG 3.77Å; F806-F812 AromaticContact CE2-CZ 3.99Å; F806-F812 HydrophobicContact CE2-CZ 3.99Å; F806-F812 AromaticContact CG-CD2 4Å; F806-F812 HydrophobicContact CG-CD2 4Å; F806-F812 AromaticContact CG-CE2 3.4Å; F806-F812 HydrophobicContact CG-CE2 3.4Å; F806-F812 AromaticContact CG-CZ 3.83Å; F806-F812 HydrophobicContact CG-CZ 3.83Å; F806-F812 AromaticContact CZ-CD1 3.76Å; F806-F812 HydrophobicContact CZ-CD1 3.76Å; F806-F812 HydrophobicContact CZ-CD2 4.06Å; F806-F812 AromaticContact CZ-CE1 3.55Å; F806-F812 HydrophobicContact CZ-CE1 3.55Å; F806-F812 AromaticContact CZ-CE2 3.85Å; F806-F812 HydrophobicContact CZ-CE2 3.85Å; F806-F812 HydrophobicContact CZ-CG 4.03Å; F806-F812 AromaticContact CZ-CZ 3.61Å; F806-F812 HydrophobicContact CZ-CZ 3.61Å
807	A	70.6	Confident	81.9	Confident	69 Å²	69	67.9 Å²	67.9	57%	0.57	37%	0.366	S	S	*	.			trans	-63.8	152.1	158.6	0	0	0	0	0	110.1	D809	A807-D809 PolarHBondContact O-N 3.24Å
808	T	66.8	Low	84.5	Confident	113 Å²	113	62 Å²	62	69%	0.693	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-18.4	-167.4	38	0	0	0	0	116	T810	T808-T810 PolarHBondContact O-N 3.47Å
809	D	74.6	Confident	86.2	Confident	124 Å²	124	59 Å²	59	66%	0.663	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.2	-155.6	-50.9	-9.4	0	0	0	113.7	A807	A807-D809 PolarHBondContact O-N 3.24Å
810	T	82.9	Confident	87.4	Confident	52 Å²	52	54.3 Å²	54.3	32%	0.319	30%	0.304	S	S	.	.			trans	-130.6	122.7	-175.6	49.1	0	0	0	0	110.3	V687 T808 F812	V687-T810 WeakPolarHBondContact CG1-O 3.41Å; T808-T810 PolarHBondContact O-N 3.47Å; T810-F812 VanDerWaalsContact O-CD2 3.22Å; T810-F812 WeakPolarHBondContact O-CD2 3.44Å; T810-F812 WeakPolarHBondContact O-CE2 3.36Å; T810-F812 VanDerWaalsContact OG1-CE2 3.28Å; T810-F812 WeakPolarHBondContact OG1-CE2 3.38Å
811	T	90	Very high	87.9	Confident	61 Å²	61	54.5 Å²	54.5	37%	0.374	31%	0.307	S	S	.	.			trans	-91	144.1	179.1	54.3	0	0	0	0	111.8	L745	L745-T811 PolarHBondContact N-O 3.31Å
812	F	92.1	Very high	88	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.9	-175.8	-63.4	-95.8	0	0	0	111.2	V687 L688 I689 H731 V742 K743 S744 F806 T810	V687-F812 HydrophobicContact CG1-CD2 3.7Å; V687-F812 HydrophobicContact CG1-CE2 4.2Å; V687-F812 PolarHBondContact O-N 3.15Å; V687-F812 VanDerWaalsContact O-N 3.09Å; L688-F812 HydrophobicContact CD2-CB 4.08Å; I689-F812 PolarHBondContact N-O 2.87Å; H731-F812 AromaticContact CD2-CE1 3.52Å; H731-F812 AromaticContact NE2-CE1 3.82Å; V742-F812 HydrophobicContact CB-CB 3.99Å; V742-F812 HydrophobicContact CG2-CB 3.82Å; V742-F812 HydrophobicContact CG2-CD1 3.83Å; V742-F812 HydrophobicContact CG2-CG 4.08Å; K743-F812 WeakPolarHBondContact O-CA 3.26Å; S744-F812 VanDerWaalsContact CA-CD1 3.45Å; F806-F812 HydrophobicContact CB-CE2 3.97Å; F806-F812 HydrophobicContact CD1-CD2 4.4Å; F806-F812 HydrophobicContact CD1-CE1 4.19Å; F806-F812 AromaticContact CD1-CE2 3.53Å; F806-F812 HydrophobicContact CD1-CE2 3.53Å; F806-F812 AromaticContact CD1-CZ 3.42Å; F806-F812 HydrophobicContact CD1-CZ 3.42Å; F806-F812 VanDerWaalsContact CD1-CZ 3.42Å; F806-F812 AromaticContact CD2-CD2 3.59Å; F806-F812 HydrophobicContact CD2-CD2 3.59Å; F806-F812 AromaticContact CD2-CE2 3.5Å; F806-F812 HydrophobicContact CD2-CE2 3.5Å; F806-F812 HydrophobicContact CD2-CG 4.23Å; F806-F812 HydrophobicContact CD2-CZ 4.1Å; F806-F812 HydrophobicContact CE1-CD1 4.28Å; F806-F812 HydrophobicContact CE1-CD2 4.44Å; F806-F812 AromaticContact CE1-CE1 3.6Å; F806-F812 HydrophobicContact CE1-CE1 3.6Å; F806-F812 AromaticContact CE1-CE2 3.77Å; F806-F812 HydrophobicContact CE1-CE2 3.77Å; F806-F812 AromaticContact CE1-CZ 3.31Å; F806-F812 HydrophobicContact CE1-CZ 3.31Å; F806-F812 AromaticContact CE2-CD1 3.99Å; F806-F812 HydrophobicContact CE2-CD1 3.99Å; F806-F812 AromaticContact CE2-CD2 3.6Å; F806-F812 HydrophobicContact CE2-CD2 3.6Å; F806-F812 HydrophobicContact CE2-CE1 4.11Å; F806-F812 AromaticContact CE2-CE2 3.71Å; F806-F812 HydrophobicContact CE2-CE2 3.71Å; F806-F812 AromaticContact CE2-CG 3.77Å; F806-F812 HydrophobicContact CE2-CG 3.77Å; F806-F812 AromaticContact CE2-CZ 3.99Å; F806-F812 HydrophobicContact CE2-CZ 3.99Å; F806-F812 AromaticContact CG-CD2 4Å; F806-F812 HydrophobicContact CG-CD2 4Å; F806-F812 AromaticContact CG-CE2 3.4Å; F806-F812 HydrophobicContact CG-CE2 3.4Å; F806-F812 AromaticContact CG-CZ 3.83Å; F806-F812 HydrophobicContact CG-CZ 3.83Å; F806-F812 AromaticContact CZ-CD1 3.76Å; F806-F812 HydrophobicContact CZ-CD1 3.76Å; F806-F812 HydrophobicContact CZ-CD2 4.06Å; F806-F812 AromaticContact CZ-CE1 3.55Å; F806-F812 HydrophobicContact CZ-CE1 3.55Å; F806-F812 AromaticContact CZ-CE2 3.85Å; F806-F812 HydrophobicContact CZ-CE2 3.85Å; F806-F812 HydrophobicContact CZ-CG 4.03Å; F806-F812 AromaticContact CZ-CZ 3.61Å; F806-F812 HydrophobicContact CZ-CZ 3.61Å; T810-F812 VanDerWaalsContact O-CD2 3.22Å; T810-F812 WeakPolarHBondContact O-CD2 3.44Å; T810-F812 WeakPolarHBondContact O-CE2 3.36Å; T810-F812 VanDerWaalsContact OG1-CE2 3.28Å; T810-F812 WeakPolarHBondContact OG1-CE2 3.38Å
813	Q	93.3	Very high	88.2	Confident	57 Å²	57	56 Å²	56	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.8	173.6	-175.6	-176.2	60.9	0	0	110	I689 V742 K743 L745 R815	I689-Q813 CarbonylContact O-C 3.49Å; I689-Q813 WeakPolarHBondContact O-CA 3.11Å; V742-Q813 CarbonylContact C-O 3.55Å; V742-Q813 VanDerWaalsContact CA-O 3.3Å; V742-Q813 WeakPolarHBondContact CA-O 3.43Å; K743-Q813 PolarHBondContact N-O 3.45Å; K743-Q813 PolarHBondContact O-N 3.44Å; L745-Q813 HydrophobicContact CD1-CB 4.37Å; L745-Q813 HydrophobicContact CD2-CB 4.08Å; L745-Q813 HydrophobicContact CG-CB 4.27Å; Q813-R815 PolarHBondContact O-N 2.86Å
814	V	94.8	Very high	88.4	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128	169.7	-175.9	0	0	0	0	109.7	L688 I689 L692 K693 V740 V742 V817	L688-V814 HydrophobicContact CB-CG2 4.29Å; L688-V814 HydrophobicContact CD2-CG2 4.36Å; I689-V814 PolarHBondContact O-N 3.35Å; L692-V814 HydrophobicContact CB-CB 4.23Å; L692-V814 HydrophobicContact CB-CG1 3.77Å; K693-V814 HydrophobicContact CB-CG2 4.17Å; V740-V814 HydrophobicContact CG1-CG1 3.93Å; V740-V814 HydrophobicContact CG1-CG2 4.36Å; V742-V814 HydrophobicContact CG1-CG2 4.38Å; V814-V817 HydrophobicContact CG1-CG2 3.89Å
815	R	94.1	Very high	88.7	Confident	120 Å²	120	55.7 Å²	55.7	45%	0.453	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-34.2	-175.9	-63.7	-58.7	-58.6	-175.9	3.9	113.1	L692 V741 K743 Q813	L692-R815 WeakPolarHBondContact CD1-O 3.4Å; V741-R815 WeakPolarHBondContact O-CB 3.35Å; V741-R815 PolarHBondContact O-N 2.77Å; K743-R815 HydrophobicContact CB-CG 3.8Å; Q813-R815 PolarHBondContact O-N 2.86Å
816	S	94.2	Very high	89.1	Confident	20 Å²	20	58.9 Å²	58.9	14%	0.14	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	160.5	169.1	49.8	0	0	0	0	110.3	V741 Y818	V741-S816 WeakPolarHBondContact CB-OG 3.5Å; V741-S816 PolarHBondContact N-O 3.22Å; V741-S816 PolarHBondContact O-N 2.85Å; S816-Y818 WeakPolarHBondContact CB-OH 3.44Å; S816-Y818 VanDerWaalsContact OG-CE2 3.29Å; S816-Y818 WeakPolarHBondContact OG-CE2 3.42Å; S816-Y818 VanDerWaalsContact OG-CZ 3.28Å; S816-Y818 PolarHBondContact OG-OH 2.78Å
817	V	94.7	Very high	89.6	Confident	54 Å²	54	61.8 Å²	61.8	33%	0.327	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.9	173.6	-178	0	0	0	0	107	I738 L739 V740 V814	I738-V817 HydrophobicContact CB-CG1 4.2Å; I738-V817 HydrophobicContact CD1-CG1 3.99Å; I738-V817 HydrophobicContact CG2-CG1 4.39Å; L739-V817 CarbonylContact O-C 3.6Å; L739-V817 WeakPolarHBondContact O-CA 3.46Å; V740-V817 HydrophobicContact CG1-CG2 4.23Å; V740-V817 HydrophobicContact CG2-CG1 4.23Å; V740-V817 HydrophobicContact CG2-CG2 4.25Å; V814-V817 HydrophobicContact CG1-CG2 3.89Å
818	Y	94.7	Very high	90.7	Very high	45 Å²	45	60.1 Å²	60.1	18%	0.176	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.5	177.6	-49.6	-70.6	0	0	0	109	I738 L739 V741 S816 V846 I847	I738-Y818 CarbonylContact C-O 3.53Å; I738-Y818 WeakPolarHBondContact CA-O 3.23Å; L739-Y818 HydrophobicContact CD2-CD2 4.22Å; L739-Y818 HydrophobicContact CG-CD2 4.5Å; L739-Y818 PolarHBondContact N-O 3.1Å; L739-Y818 PolarHBondContact O-N 3.31Å; V741-Y818 HydrophobicContact CG2-CD2 4.28Å; V741-Y818 HydrophobicContact CG2-CE2 3.77Å; S816-Y818 WeakPolarHBondContact CB-OH 3.44Å; S816-Y818 VanDerWaalsContact OG-CE2 3.29Å; S816-Y818 WeakPolarHBondContact OG-CE2 3.42Å; S816-Y818 VanDerWaalsContact OG-CZ 3.28Å; S816-Y818 PolarHBondContact OG-OH 2.78Å; Y818-V846 HydrophobicContact CD1-CG1 3.29Å; Y818-V846 HydrophobicContact CD2-CG1 4.45Å; Y818-V846 HydrophobicContact CE1-CG1 3.25Å; Y818-V846 HydrophobicContact CE2-CG1 4.41Å; Y818-V846 HydrophobicContact CG-CG1 3.91Å; Y818-I847 HydrophobicContact CE2-CB 4.23Å; Y818-I847 HydrophobicContact CE2-CD1 4.21Å; Y818-I847 HydrophobicContact CE2-CG2 4.03Å
819	P	94.5	Very high	92	Very high	78 Å²	78	60.4 Å²	60.4	51%	0.506	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	150.7	167.1	31.7	-34.3	0	0	0	109.6	L821 L823	P819-L821 VanDerWaalsContact C-N 3.28Å; P819-L823 WeakPolarHBondContact O-CD1 3.5Å; P819-L823 VanDerWaalsContact O-CG 3.24Å; P819-L823 WeakPolarHBondContact O-CG 3.39Å
820	F	94.6	Very high	92.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-77.4	-13.9	172.4	-84.3	-68	0	0	0	113.8	I734 F735 D737 I738 L739 L823 A864 I868 M871	I734-F820 HydrophobicContact CG2-CE2 4.07Å; I734-F820 HydrophobicContact CG2-CZ 3.97Å; F735-F820 WeakPolarHBondContact O-CD2 3Å; F735-F820 WeakPolarHBondContact O-CE2 3.33Å; D737-F820 PolarHBondContact O-N 3.5Å; I738-F820 VanDerWaalsContact C-CE2 3.44Å; I738-F820 WeakPolarHBondContact O-CE2 3.3Å; L739-F820 HydrophobicContact CB-CE1 4.43Å; L739-F820 HydrophobicContact CB-CE2 4.01Å; L739-F820 HydrophobicContact CB-CZ 3.84Å; L739-F820 HydrophobicContact CD1-CZ 4.5Å; F820-L823 HydrophobicContact CD1-CD1 4.04Å; F820-L823 HydrophobicContact CE1-CD1 4.48Å; F820-L823 PolarHBondContact O-N 3.06Å; F820-A864 HydrophobicContact CE1-CB 4.11Å; F820-I868 HydrophobicContact CB-CG1 4.3Å; F820-I868 HydrophobicContact CD1-CD1 4.36Å; F820-I868 HydrophobicContact CD1-CG1 3.74Å; F820-I868 HydrophobicContact CG-CG1 4.43Å; F820-M871 HydrophobicContact CB-CG 4.11Å
821	L	91.1	Very high	92.8	Very high	76 Å²	76	61.4 Å²	61.4	40%	0.398	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	133.7	172.1	-161.7	72.2	0	0	0	111	P819 L823 M871 Q875	P819-L821 VanDerWaalsContact C-N 3.28Å; L821-L823 PolarHBondContact O-N 3.13Å; L821-M871 HydrophobicContact CD1-CB 4.38Å; L821-Q875 HydrophobicContact CD1-CB 4Å; L821-Q875 HydrophobicContact CD1-CG 4.21Å
822	D	89.7	Confident	92.6	Very high	82 Å²	82	63.2 Å²	63.2	44%	0.439	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	15.4	-173.4	-172	50.1	0	0	0	114.6	N841 S842	D822-N841 WeakPolarHBondContact O-CA 3.14Å; D822-N841 WeakPolarHBondContact O-CB 3.35Å; D822-N841 WeakPolarHBondContact OD2-CB 3.39Å; D822-S842 PolarHBondContact OD1-N 2.89Å; D822-S842 WeakPolarHBondContact OD2-CB 3.46Å; D822-S842 PolarHBondContact OD2-N 2.77Å; D822-S842 PolarHBondContact OD2-OG 2.95Å
823	L	93.5	Very high	92.5	Very high	10 Å²	10	63.5 Å²	63.5	5%	0.052	31%	0.314	C	S	.	.			trans	-89.8	139.4	170.1	-67.7	-170.7	0	0	0	112.5	P819 F820 L821 L839 C840 N841 V846 I868	P819-L823 WeakPolarHBondContact O-CD1 3.5Å; P819-L823 VanDerWaalsContact O-CG 3.24Å; P819-L823 WeakPolarHBondContact O-CG 3.39Å; F820-L823 HydrophobicContact CD1-CD1 4.04Å; F820-L823 HydrophobicContact CE1-CD1 4.48Å; F820-L823 PolarHBondContact O-N 3.06Å; L821-L823 PolarHBondContact O-N 3.13Å; L823-L839 HydrophobicContact CD1-CD1 4.29Å; L823-C840 CarbonylContact C-O 3.6Å; L823-C840 WeakPolarHBondContact CA-O 3.44Å; L823-N841 HydrophobicContact CD2-CB 4.11Å; L823-V846 HydrophobicContact CD2-CG2 4.18Å; L823-I868 HydrophobicContact CB-CD1 4.32Å; L823-I868 HydrophobicContact CB-CG1 4.39Å; L823-I868 WeakPolarHBondContact O-CD1 3.34Å
824	R	93.3	Very high	92.4	Very high	155 Å²	155	68.3 Å²	68.3	59%	0.585	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.8	170.1	-67.1	179.3	-70.9	-177.4	-1.7	109.5	C840	R824-C840 PolarHBondContact N-O 3.47Å; R824-C840 PolarHBondContact O-N 3.41Å
825	V	94.3	Very high	92.4	Very high	8 Å²	8	70.5 Å²	70.5	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.4	178.3	-169.9	0	0	0	0	109.2	V837 L839 I861 A864 Y865 I868	V825-V837 HydrophobicContact CG1-CG1 3.67Å; V825-L839 HydrophobicContact CB-CD2 4.38Å; V825-L839 HydrophobicContact CG1-CD2 4.31Å; V825-L839 HydrophobicContact CG2-CD2 3.91Å; V825-I861 HydrophobicContact CG1-CG1 4.2Å; V825-A864 HydrophobicContact CG2-CB 3.91Å; V825-Y865 HydrophobicContact CB-CE1 4.25Å; V825-Y865 HydrophobicContact CB-CE2 4.43Å; V825-Y865 HydrophobicContact CG2-CD1 4.45Å; V825-Y865 HydrophobicContact CG2-CE1 4.24Å; V825-Y865 PolarHBondContact O-OH 3.48Å; V825-I868 HydrophobicContact CG2-CD1 3.82Å
826	L	94.3	Very high	92.4	Very high	87 Å²	87	64.8 Å²	64.8	46%	0.455	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.1	169.5	-60.5	-177.8	0	0	0	109.4	V837 Q838	L826-V837 CarbonylContact O-C 3.59Å; L826-V837 WeakPolarHBondContact O-CA 3.39Å; L826-Q838 HydrophobicContact CB-CB 4.43Å; L826-Q838 PolarHBondContact N-O 3.04Å; L826-Q838 PolarHBondContact O-N 3.06Å
827	V	94.3	Very high	92.5	Very high	78 Å²	78	63.9 Å²	63.9	47%	0.473	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.6	174	-177.2	0	0	0	0	108.8	I861	V827-I861 HydrophobicContact CG2-CD1 3.53Å; V827-I861 HydrophobicContact CG2-CG1 4.38Å
828	F	93	Very high	92.5	Very high	34 Å²	34	62.8 Å²	62.8	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	161.2	173.1	69.1	-91.4	0	0	0	111.8	I713 I716 G836 Q838 R857	I713-F828 HydrophobicContact CD1-CE2 4.32Å; I713-F828 HydrophobicContact CD1-CZ 3.68Å; I716-F828 HydrophobicContact CB-CE2 4.32Å; I716-F828 HydrophobicContact CD1-CD1 4.11Å; I716-F828 HydrophobicContact CD1-CE1 3.91Å; I716-F828 HydrophobicContact CD1-CE2 4.34Å; I716-F828 HydrophobicContact CD1-CG 4.41Å; I716-F828 HydrophobicContact CD1-CZ 4.04Å; I716-F828 HydrophobicContact CG1-CE1 4.12Å; I716-F828 HydrophobicContact CG1-CE2 3.96Å; I716-F828 HydrophobicContact CG1-CZ 3.73Å; I716-F828 HydrophobicContact CG2-CD2 3.78Å; I716-F828 HydrophobicContact CG2-CE2 3.69Å; I716-F828 HydrophobicContact CG2-CZ 4.35Å; F828-G836 PolarHBondContact N-O 2.61Å; F828-G836 VanDerWaalsContact N-O 3.07Å; F828-G836 CarbonylContact O-C 3.48Å; F828-G836 WeakPolarHBondContact O-CA 3.22Å; F828-G836 PolarHBondContact O-N 3.34Å; F828-G836 VanDerWaalsContact O-O 3.06Å; F828-Q838 HydrophobicContact CD1-CB 4.24Å; F828-Q838 HydrophobicContact CE1-CB 4.04Å; F828-R857 PolarHBondContact O-NH1 3.49Å
829	E	93.1	Very high	92.5	Very high	118 Å²	118	60.6 Å²	60.6	55%	0.551	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.3	171.7	-175.3	149.9	175.2	0	0	107.4	R834 R857	E829-R834 HydrophobicContact CG-CG 4.42Å; E829-R834 WeakPolarHBondContact CG-O 3.39Å; E829-R834 WeakPolarHBondContact OE1-CG 3.35Å; E829-R834 IonicContact OE1-NE 3.91Å; E829-R857 IonicContact OE2-NH2 3.23Å
830	S	87.9	Confident	92.5	Very high	30 Å²	30	57.5 Å²	57.5	21%	0.21	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.9	176.6	85.7	0	0	0	0	110.6	I716 Y832 Y833	I716-S830 PolarHBondContact O-OG 3.19Å; S830-Y832 PolarHBondContact O-N 3.49Å; S830-Y832 PolarHBondContact OG-N 3.38Å; S830-Y833 PolarHBondContact N-O 2.88Å; S830-Y833 CarbonylContact O-C 3.44Å; S830-Y833 PolarHBondContact O-N 3.35Å; S830-Y833 PolarHBondContact OG-N 2.96Å
831	N	87.6	Confident	92.4	Very high	167 Å²	167	59.4 Å²	59.4	89%	0.893	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-9.2	175.4	-58.1	1.3	0	0	0	114.1
832	Y	86.3	Confident	92.4	Very high	100 Å²	100	59.5 Å²	59.5	39%	0.392	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-26.3	178.8	-53	-69.4	0	0	0	113.6	A717 P718 L721 S830	A717-Y832 HydrophobicContact CB-CE2 4.29Å; P718-Y832 HydrophobicContact CG-CD2 4.48Å; P718-Y832 HydrophobicContact CG-CG 4.26Å; L721-Y832 HydrophobicContact CD1-CD1 4.29Å; L721-Y832 HydrophobicContact CD2-CD1 3.83Å; L721-Y832 HydrophobicContact CD2-CG 4.32Å; L721-Y832 HydrophobicContact CG-CD1 3.79Å; L721-Y832 HydrophobicContact CG-CE1 4.46Å; S830-Y832 PolarHBondContact O-N 3.49Å; S830-Y832 PolarHBondContact OG-N 3.38Å
833	Y	89.6	Confident	92.4	Very high	10 Å²	10	62.6 Å²	62.6	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	103	-173.9	-54.9	-65.9	0	0	0	110.3	I713 K715 I716 P718 S830 N850	I713-Y833 HydrophobicContact CD1-CD1 3.99Å; I713-Y833 HydrophobicContact CD1-CD2 3.81Å; I713-Y833 HydrophobicContact CD1-CE1 4.27Å; I713-Y833 HydrophobicContact CD1-CE2 4.11Å; I713-Y833 HydrophobicContact CD1-CG 3.74Å; I713-Y833 HydrophobicContact CG1-CD1 4.16Å; I713-Y833 HydrophobicContact CG1-CD2 4.4Å; I713-Y833 HydrophobicContact CG1-CE1 3.98Å; I713-Y833 HydrophobicContact CG1-CE2 4.22Å; I713-Y833 HydrophobicContact CG1-CG 4.36Å; I713-Y833 HydrophobicContact CG2-CD2 4.32Å; I713-Y833 HydrophobicContact CG2-CE2 3.65Å; K715-Y833 WeakPolarHBondContact O-CE2 3.22Å; I716-Y833 WeakPolarHBondContact O-CD2 3.36Å; I716-Y833 WeakPolarHBondContact O-CE2 3.47Å; P718-Y833 HydrophobicContact CG-CE2 4.31Å; S830-Y833 PolarHBondContact N-O 2.88Å; S830-Y833 CarbonylContact O-C 3.44Å; S830-Y833 PolarHBondContact O-N 3.35Å; S830-Y833 PolarHBondContact OG-N 2.96Å; Y833-N850 HydrophobicContact CD1-CB 3.72Å; Y833-N850 HydrophobicContact CG-CB 4.26Å
834	R	91.4	Very high	92.3	Very high	157 Å²	157	63.2 Å²	63.2	59%	0.592	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	-35.5	-175.4	-158	179.2	179.6	-178.2	-3.8	113.2	E829 R857	E829-R834 HydrophobicContact CG-CG 4.42Å; E829-R834 WeakPolarHBondContact CG-O 3.39Å; E829-R834 WeakPolarHBondContact OE1-CG 3.35Å; E829-R834 IonicContact OE1-NE 3.91Å; R834-R857 PolarHBondContact O-NH1 3.49Å
835	Y	93.7	Very high	92.3	Very high	52 Å²	52	60.1 Å²	60.1	20%	0.204	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	51.5	-174	-49.5	-52.2	0	0	0	110.6	N850 M851 E854	Y835-N850 PolarHBondContact N-OD1 2.83Å; Y835-M851 PolarHBondContact O-N 3.06Å; Y835-E854 HydrophobicContact CD1-CB 4.05Å; Y835-E854 HydrophobicContact CE1-CB 3.8Å; Y835-E854 HydrophobicContact CE1-CG 4.47Å
836	G	94.2	Very high	92.2	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136	-178.9	0	0	0	0	0	113.3	F828 L849	F828-G836 PolarHBondContact N-O 2.61Å; F828-G836 VanDerWaalsContact N-O 3.07Å; F828-G836 CarbonylContact O-C 3.48Å; F828-G836 WeakPolarHBondContact O-CA 3.22Å; F828-G836 PolarHBondContact O-N 3.34Å; F828-G836 VanDerWaalsContact O-O 3.06Å; G836-L849 WeakPolarHBondContact CA-O 3.48Å
837	V	95.7	Very high	92.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.7	167.5	-171.6	0	0	0	0	108.7	V825 L826 L849 M851 R857 F860	V825-V837 HydrophobicContact CG1-CG1 3.67Å; L826-V837 CarbonylContact O-C 3.59Å; L826-V837 WeakPolarHBondContact O-CA 3.39Å; V837-L849 PolarHBondContact N-O 3.15Å; V837-L849 WeakPolarHBondContact O-CA 3.45Å; V837-L849 WeakPolarHBondContact O-CB 3.5Å; V837-L849 PolarHBondContact O-N 2.98Å; V837-M851 HydrophobicContact CB-CE 4.43Å; V837-M851 HydrophobicContact CG2-CE 4.29Å; V837-M851 HydrophobicContact CG2-CG 4.11Å; V837-R857 HydrophobicContact CG2-CG 3.73Å; V837-F860 HydrophobicContact CB-CD1 4.48Å; V837-F860 HydrophobicContact CG1-CD1 3.98Å; V837-F860 HydrophobicContact CG1-CE1 3.8Å; V837-F860 HydrophobicContact CG2-CD1 4.45Å
838	Q	94.9	Very high	92.2	Very high	31 Å²	31	54.9 Å²	54.9	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133	174.3	-176.5	174.2	73.2	0	0	108.8	L826 F828 P845 I847 S848	L826-Q838 HydrophobicContact CB-CB 4.43Å; L826-Q838 PolarHBondContact N-O 3.04Å; L826-Q838 PolarHBondContact O-N 3.06Å; F828-Q838 HydrophobicContact CD1-CB 4.24Å; F828-Q838 HydrophobicContact CE1-CB 4.04Å; Q838-P845 HydrophobicContact CG-CB 4.07Å; Q838-I847 WeakPolarHBondContact CA-O 3.07Å; Q838-S848 PolarHBondContact NE2-OG 3.49Å
839	L	95.2	Very high	92.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.5	168	-57.8	-179.5	0	0	0	108.3	L739 L823 V825 V846 I847 F860	L739-L839 HydrophobicContact CD2-CD1 3.29Å; L823-L839 HydrophobicContact CD1-CD1 4.29Å; V825-L839 HydrophobicContact CB-CD2 4.38Å; V825-L839 HydrophobicContact CG1-CD2 4.31Å; V825-L839 HydrophobicContact CG2-CD2 3.91Å; L839-V846 WeakPolarHBondContact O-CB 3.5Å; L839-V846 PolarHBondContact O-N 3.31Å; L839-I847 HydrophobicContact CB-CG2 3.96Å; L839-I847 HydrophobicContact CD1-CG2 3.85Å; L839-I847 HydrophobicContact CG-CG2 4.08Å; L839-I847 PolarHBondContact N-O 3.41Å; L839-I847 PolarHBondContact O-N 2.86Å; L839-F860 HydrophobicContact CD1-CZ 4.21Å; L839-F860 HydrophobicContact CD2-CE1 4.13Å; L839-F860 HydrophobicContact CD2-CZ 4.24Å
840	C	94.6	Very high	92.4	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.081	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.7	178.4	-65.8	0	0	0	0	110	L823 R824 G844	L823-C840 CarbonylContact C-O 3.6Å; L823-C840 WeakPolarHBondContact CA-O 3.44Å; R824-C840 PolarHBondContact N-O 3.47Å; R824-C840 PolarHBondContact O-N 3.41Å; C840-G844 CarbonylContact C-O 3.59Å; C840-G844 WeakPolarHBondContact CA-O 3.28Å
841	N	92.8	Very high	92.6	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.219	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-170	167.7	70.8	-0.4	0	0	0	111.1	D822 L823 N843 G844 V846	D822-N841 WeakPolarHBondContact O-CA 3.14Å; D822-N841 WeakPolarHBondContact O-CB 3.35Å; D822-N841 WeakPolarHBondContact OD2-CB 3.39Å; L823-N841 HydrophobicContact CD2-CB 4.11Å; N841-N843 PolarHBondContact O-N 2.78Å; N841-N843 WeakPolarHBondContact OD1-CA 3.43Å; N841-N843 WeakPolarHBondContact OD1-CB 3.47Å; N841-N843 PolarHBondContact OD1-N 2.68Å; N841-G844 PolarHBondContact N-O 3.05Å; N841-G844 PolarHBondContact O-N 3.34Å; N841-G844 VanDerWaalsContact O-N 3.12Å; N841-G844 PolarHBondContact OD1-N 3.08Å; N841-G844 PolarHBondContact OD1-O 3.43Å; N841-V846 HydrophobicContact CB-CG2 3.81Å; N841-V846 VanDerWaalsContact CG-CG2 3.48Å
842	S	90.5	Very high	92.8	Very high	78 Å²	78	41.2 Å²	41.2	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-28.6	171.1	50.6	0	0	0	0	114.1	D822	D822-S842 PolarHBondContact OD1-N 2.89Å; D822-S842 WeakPolarHBondContact OD2-CB 3.46Å; D822-S842 PolarHBondContact OD2-N 2.77Å; D822-S842 PolarHBondContact OD2-OG 2.95Å
843	N	91.1	Very high	93.1	Very high	146 Å²	146	38.5 Å²	38.5	78%	0.781	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	4.3	-179	-57	-85.9	0	0	0	113.6	N841	N841-N843 PolarHBondContact O-N 2.78Å; N841-N843 WeakPolarHBondContact OD1-CA 3.43Å; N841-N843 WeakPolarHBondContact OD1-CB 3.47Å; N841-N843 PolarHBondContact OD1-N 2.68Å
844	G	91	Very high	93.2	Very high	24 Å²	24	42 Å²	42	25%	0.247	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.5	-153.4	179.7	0	0	0	0	0	114.2	C840 N841 V846	C840-G844 CarbonylContact C-O 3.59Å; C840-G844 WeakPolarHBondContact CA-O 3.28Å; N841-G844 PolarHBondContact N-O 3.05Å; N841-G844 PolarHBondContact O-N 3.34Å; N841-G844 VanDerWaalsContact O-N 3.12Å; N841-G844 PolarHBondContact OD1-N 3.08Å; N841-G844 PolarHBondContact OD1-O 3.43Å; G844-V846 PolarHBondContact O-N 3.31Å
845	P	91.9	Very high	93.2	Very high	89 Å²	89	37.2 Å²	37.2	58%	0.578	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.1	-169.9	29.5	-35.2	0	0	0	113.1	Q838	Q838-P845 HydrophobicContact CG-CB 4.07Å
846	V	92.7	Very high	93.2	Very high	38 Å²	38	35.2 Å²	35.2	23%	0.23	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-43.4	-175.5	176.7	0	0	0	0	111.9	Y818 L823 L839 N841 G844	Y818-V846 HydrophobicContact CD1-CG1 3.29Å; Y818-V846 HydrophobicContact CD2-CG1 4.45Å; Y818-V846 HydrophobicContact CE1-CG1 3.25Å; Y818-V846 HydrophobicContact CE2-CG1 4.41Å; Y818-V846 HydrophobicContact CG-CG1 3.91Å; L823-V846 HydrophobicContact CD2-CG2 4.18Å; L839-V846 WeakPolarHBondContact O-CB 3.5Å; L839-V846 PolarHBondContact O-N 3.31Å; N841-V846 HydrophobicContact CB-CG2 3.81Å; N841-V846 VanDerWaalsContact CG-CG2 3.48Å; G844-V846 PolarHBondContact O-N 3.31Å
847	I	94.6	Very high	93.2	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	140.5	173.9	-174	167.3	0	0	0	110.4	E712 V741 Y818 Q838 L839 L849	E712-I847 HydrophobicContact CG-CD1 4.49Å; V741-I847 HydrophobicContact CG1-CD1 4.42Å; V741-I847 HydrophobicContact CG2-CD1 3.93Å; Y818-I847 HydrophobicContact CE2-CB 4.23Å; Y818-I847 HydrophobicContact CE2-CD1 4.21Å; Y818-I847 HydrophobicContact CE2-CG2 4.03Å; Q838-I847 WeakPolarHBondContact CA-O 3.07Å; L839-I847 HydrophobicContact CB-CG2 3.96Å; L839-I847 HydrophobicContact CD1-CG2 3.85Å; L839-I847 HydrophobicContact CG-CG2 4.08Å; L839-I847 PolarHBondContact N-O 3.41Å; L839-I847 PolarHBondContact O-N 2.86Å; I847-L849 HydrophobicContact CD1-CD2 3.82Å; I847-L849 HydrophobicContact CG1-CD2 3.86Å; I847-L849 HydrophobicContact CG1-CG 4.25Å
848	S	94.7	Very high	93.1	Very high	14 Å²	14	42.5 Å²	42.5	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.7	175.7	-53.6	0	0	0	0	110.1	I713 Q838	I713-S848 PolarHBondContact N-O 3.17Å; Q838-S848 PolarHBondContact NE2-OG 3.49Å
849	L	95	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.9	-166.3	-58.9	172.4	0	0	0	111.1	T710 Q711 I713 L732 G836 V837 I847 M851 F860	T710-L849 HydrophobicContact CG2-CD2 3.86Å; Q711-L849 CarbonylContact O-C 3.58Å; Q711-L849 WeakPolarHBondContact O-CA 3.29Å; I713-L849 WeakPolarHBondContact CD1-O 3.37Å; L732-L849 HydrophobicContact CD1-CD1 3.86Å; L732-L849 HydrophobicContact CD2-CD1 4.49Å; L732-L849 HydrophobicContact CD2-CD2 4.5Å; G836-L849 WeakPolarHBondContact CA-O 3.48Å; V837-L849 PolarHBondContact N-O 3.15Å; V837-L849 WeakPolarHBondContact O-CA 3.45Å; V837-L849 WeakPolarHBondContact O-CB 3.5Å; V837-L849 PolarHBondContact O-N 2.98Å; I847-L849 HydrophobicContact CD1-CD2 3.82Å; I847-L849 HydrophobicContact CG1-CD2 3.86Å; I847-L849 HydrophobicContact CG1-CG 4.25Å; L849-M851 HydrophobicContact CB-CE 4.2Å; L849-M851 HydrophobicContact CD1-CE 3.89Å; L849-F860 HydrophobicContact CD1-CE1 4.34Å; L849-F860 HydrophobicContact CD1-CZ 4.23Å
850	N	94.4	Very high	93	Very high	27 Å²	27	44.7 Å²	44.7	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.1	164	-179	59.6	0	0	0	108.6	T710 Q711 I713 Y833 Y835	T710-N850 PolarHBondContact OG1-O 3.4Å; T710-N850 VanDerWaalsContact OG1-O 3.12Å; Q711-N850 HydrophobicContact CB-CB 4.35Å; Q711-N850 PolarHBondContact N-O 3.1Å; Q711-N850 PolarHBondContact O-N 2.95Å; I713-N850 HydrophobicContact CD1-CB 3.88Å; I713-N850 HydrophobicContact CG1-CB 4.15Å; Y833-N850 HydrophobicContact CD1-CB 3.72Å; Y833-N850 HydrophobicContact CG-CB 4.26Å; Y835-N850 PolarHBondContact N-OD1 2.83Å
851	M	93.8	Very high	93.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	26%	0.258	C	S	.	.			trans	-77.6	153.4	178.5	-63.2	-65.6	171.5	0	0	110.7	I708 L732 Y835 V837 L849 S853 R857 F860	I708-M851 HydrophobicContact CG2-SD 3.99Å; L732-M851 HydrophobicContact CD1-CE 4.14Å; Y835-M851 PolarHBondContact O-N 3.06Å; V837-M851 HydrophobicContact CB-CE 4.43Å; V837-M851 HydrophobicContact CG2-CE 4.29Å; V837-M851 HydrophobicContact CG2-CG 4.11Å; L849-M851 HydrophobicContact CB-CE 4.2Å; L849-M851 HydrophobicContact CD1-CE 3.89Å; M851-S853 VanDerWaalsContact C-N 3.34Å; M851-R857 HydrophobicContact CB-CB 4.02Å; M851-R857 HydrophobicContact CG-CB 4.08Å; M851-F860 HydrophobicContact CE-CB 3.82Å; M851-F860 HydrophobicContact CE-CD1 3.41Å; M851-F860 VanDerWaalsContact CE-CD1 3.41Å; M851-F860 HydrophobicContact CE-CD2 4Å; M851-F860 HydrophobicContact CE-CE1 3.95Å; M851-F860 HydrophobicContact CE-CE2 4.49Å; M851-F860 HydrophobicContact CE-CG 3.42Å; M851-F860 VanDerWaalsContact CE-CG 3.42Å; M851-F860 HydrophobicContact CE-CZ 4.45Å; M851-F860 HydrophobicContact SD-CB 4.38Å
852	P	91	Very high	93	Very high	35 Å²	35	47.8 Å²	47.8	23%	0.227	27%	0.271	C	S	.	.	S	Bend	trans	-74	-25.4	-177.9	28.6	-34.5	0	0	0	113.1	L709 F800 C856	L709-P852 WeakPolarHBondContact O-CD 3.39Å; F800-P852 HydrophobicContact CB-CB 4.49Å; F800-P852 HydrophobicContact CB-CG 3.73Å; F800-P852 HydrophobicContact CD1-CB 3.54Å; F800-P852 HydrophobicContact CD1-CG 3.5Å; F800-P852 HydrophobicContact CD2-CB 4.32Å; F800-P852 HydrophobicContact CD2-CG 4.43Å; F800-P852 HydrophobicContact CE1-CB 3.69Å; F800-P852 HydrophobicContact CE1-CG 4.19Å; F800-P852 HydrophobicContact CE2-CB 4.45Å; F800-P852 HydrophobicContact CG-CB 3.88Å; F800-P852 HydrophobicContact CG-CG 3.65Å; F800-P852 HydrophobicContact CZ-CB 4.16Å; P852-C856 HydrophobicContact CG-CB 4.02Å
853	S	92	Very high	93.2	Very high	42 Å²	42	45.7 Å²	45.7	29%	0.294	25%	0.251	S	S	.	.	S	Bend	trans	-151.3	161.2	179	68.6	0	0	0	0	111	M851 A855 C856 R857	M851-S853 VanDerWaalsContact C-N 3.34Å; S853-A855 VanDerWaalsContact C-N 3.28Å; S853-A855 PolarHBondContact O-N 3.31Å; S853-C856 PolarHBondContact O-N 3.31Å; S853-C856 PolarHBondContact OG-N 3.44Å; S853-C856 VanDerWaalsContact OG-N 3.16Å; S853-R857 PolarHBondContact O-N 2.94Å
854	E	92.6	Very high	93.4	Very high	84 Å²	84	38.8 Å²	38.8	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-35.1	174.1	-163.3	-151.1	103.1	0	0	112.3	Y835 R857 R858	Y835-E854 HydrophobicContact CD1-CB 4.05Å; Y835-E854 HydrophobicContact CE1-CB 3.8Å; Y835-E854 HydrophobicContact CE1-CG 4.47Å; E854-R857 WeakPolarHBondContact O-CA 3.39Å; E854-R857 WeakPolarHBondContact O-CB 3.5Å; E854-R857 PolarHBondContact O-N 2.9Å; E854-R857 VanDerWaalsContact O-N 3.14Å; E854-R858 PolarHBondContact O-N 3.41Å; E854-R858 IonicContact OE1-CZ 3.95Å; E854-R858 IonicContact OE1-NE 3.18Å; E854-R858 PolarHBondContact OE1-NE 3.33Å; E854-R858 IonicContact OE1-NH2 3.64Å; E854-R858 PolarHBondContact OE1-NH2 2.67Å
855	A	91.5	Very high	93.5	Very high	56 Å²	56	42.9 Å²	42.9	46%	0.463	22%	0.223	S	C	.	.	H	α-helix	trans	-62.7	-45.4	175.3	0	0	0	0	0	111.8	S853 R857 R858 Q859	S853-A855 VanDerWaalsContact C-N 3.28Å; S853-A855 PolarHBondContact O-N 3.31Å; A855-R857 VanDerWaalsContact C-N 3.3Å; A855-R857 PolarHBondContact O-N 3.15Å; A855-R858 PolarHBondContact O-N 2.84Å; A855-Q859 WeakPolarHBondContact O-CB 3.42Å; A855-Q859 PolarHBondContact O-N 2.98Å
856	C	92.9	Very high	93.5	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.068	22%	0.216	C	C	.	.	H	α-helix	trans	-68.6	-27.3	172.7	-87.7	0	0	0	0	112.7	C801 P852 S853 F860	C801-C856 WeakPolarHBondContact CB-SG 3.46Å; C801-C856 VanDerWaalsContact SG-CA 3.51Å; C801-C856 WeakPolarHBondContact SG-CB 3.38Å; C801-C856 CovalentContact SG-SG 2.04Å; C801-C856 PolarHBondContact SG-SG 3.06Å; P852-C856 HydrophobicContact CG-CB 4.02Å; S853-C856 PolarHBondContact O-N 3.31Å; S853-C856 PolarHBondContact OG-N 3.44Å; S853-C856 VanDerWaalsContact OG-N 3.16Å; C856-F860 WeakPolarHBondContact O-CB 3.23Å; C856-F860 PolarHBondContact O-N 2.91Å
857	R	94.9	Very high	93.7	Very high	31 Å²	31	38.9 Å²	38.9	12%	0.117	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-50.4	169.8	178.9	166.8	74.8	177.9	-5.1	111.2	F828 E829 R834 V837 M851 S853 E854 A855 F860 I861	F828-R857 PolarHBondContact O-NH1 3.49Å; E829-R857 IonicContact OE2-NH2 3.23Å; R834-R857 PolarHBondContact O-NH1 3.49Å; V837-R857 HydrophobicContact CG2-CG 3.73Å; M851-R857 HydrophobicContact CB-CB 4.02Å; M851-R857 HydrophobicContact CG-CB 4.08Å; S853-R857 PolarHBondContact O-N 2.94Å; E854-R857 WeakPolarHBondContact O-CA 3.39Å; E854-R857 WeakPolarHBondContact O-CB 3.5Å; E854-R857 PolarHBondContact O-N 2.9Å; E854-R857 VanDerWaalsContact O-N 3.14Å; A855-R857 VanDerWaalsContact C-N 3.3Å; A855-R857 PolarHBondContact O-N 3.15Å; R857-F860 PolarHBondContact O-N 2.95Å; R857-I861 HydrophobicContact CG-CD1 3.67Å; R857-I861 VanDerWaalsContact O-CD1 3.29Å; R857-I861 WeakPolarHBondContact O-CD1 3.48Å; R857-I861 WeakPolarHBondContact O-CG1 3.43Å; R857-I861 PolarHBondContact O-N 3.39Å; R857-I861 VanDerWaalsContact O-N 3.09Å
858	R	93.7	Very high	93.7	Very high	123 Å²	123	38.8 Å²	38.8	46%	0.464	21%	0.205	S	C	.	.	H	α-helix	trans	-60.1	-52.2	176.2	-77.3	-175.6	-87.7	110.4	-9.6	111.5	E854 A855 F860 I861 D862	E854-R858 PolarHBondContact O-N 3.41Å; E854-R858 IonicContact OE1-CZ 3.95Å; E854-R858 IonicContact OE1-NE 3.18Å; E854-R858 PolarHBondContact OE1-NE 3.33Å; E854-R858 IonicContact OE1-NH2 3.64Å; E854-R858 PolarHBondContact OE1-NH2 2.67Å; A855-R858 PolarHBondContact O-N 2.84Å; R858-F860 VanDerWaalsContact C-N 3.27Å; R858-F860 PolarHBondContact O-N 3.18Å; R858-I861 WeakPolarHBondContact O-CA 3.42Å; R858-I861 WeakPolarHBondContact O-CB 3.33Å; R858-I861 PolarHBondContact O-N 2.99Å; R858-D862 PolarHBondContact O-N 3.41Å; R858-D862 VanDerWaalsContact O-OD2 3.1Å
859	Q	93.3	Very high	93.6	Very high	76 Å²	76	39.4 Å²	39.4	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-37.4	179.3	-165.6	66.9	76.9	0	0	113.5	A855 W863	A855-Q859 WeakPolarHBondContact O-CB 3.42Å; A855-Q859 PolarHBondContact O-N 2.98Å; Q859-W863 HydrophobicContact CG-CD2 4.05Å; Q859-W863 HydrophobicContact CG-CE3 4.17Å; Q859-W863 HydrophobicContact CG-CH2 3.85Å; Q859-W863 HydrophobicContact CG-CZ2 3.68Å; Q859-W863 HydrophobicContact CG-CZ3 4.09Å; Q859-W863 VanDerWaalsContact NE2-NE1 3.17Å; Q859-W863 WeakPolarHBondContact O-CB 3.3Å; Q859-W863 VanDerWaalsContact O-CG 3.3Å; Q859-W863 PolarHBondContact O-N 3.33Å
860	F	95	Very high	93.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-45.8	173	178.8	-109.3	0	0	0	112.3	I708 L732 I734 L739 V837 L839 L849 M851 C856 R857 R858 A864	I708-F860 HydrophobicContact CD1-CB 3.58Å; I708-F860 HydrophobicContact CD1-CD2 4.06Å; I708-F860 HydrophobicContact CD1-CG 4.31Å; L732-F860 HydrophobicContact CD1-CD2 3.76Å; L732-F860 HydrophobicContact CD1-CE2 3.4Å; L732-F860 HydrophobicContact CD1-CZ 4.02Å; I734-F860 HydrophobicContact CD1-CD2 3.73Å; I734-F860 HydrophobicContact CD1-CE2 3.94Å; I734-F860 HydrophobicContact CG1-CE2 4.3Å; L739-F860 HydrophobicContact CD1-CE2 4.48Å; V837-F860 HydrophobicContact CB-CD1 4.48Å; V837-F860 HydrophobicContact CG1-CD1 3.98Å; V837-F860 HydrophobicContact CG1-CE1 3.8Å; V837-F860 HydrophobicContact CG2-CD1 4.45Å; L839-F860 HydrophobicContact CD1-CZ 4.21Å; L839-F860 HydrophobicContact CD2-CE1 4.13Å; L839-F860 HydrophobicContact CD2-CZ 4.24Å; L849-F860 HydrophobicContact CD1-CE1 4.34Å; L849-F860 HydrophobicContact CD1-CZ 4.23Å; M851-F860 HydrophobicContact CE-CB 3.82Å; M851-F860 HydrophobicContact CE-CD1 3.41Å; M851-F860 VanDerWaalsContact CE-CD1 3.41Å; M851-F860 HydrophobicContact CE-CD2 4Å; M851-F860 HydrophobicContact CE-CE1 3.95Å; M851-F860 HydrophobicContact CE-CE2 4.49Å; M851-F860 HydrophobicContact CE-CG 3.42Å; M851-F860 VanDerWaalsContact CE-CG 3.42Å; M851-F860 HydrophobicContact CE-CZ 4.45Å; M851-F860 HydrophobicContact SD-CB 4.38Å; C856-F860 WeakPolarHBondContact O-CB 3.23Å; C856-F860 PolarHBondContact O-N 2.91Å; R857-F860 PolarHBondContact O-N 2.95Å; R858-F860 VanDerWaalsContact C-N 3.27Å; R858-F860 PolarHBondContact O-N 3.18Å; F860-A864 HydrophobicContact CE1-CB 4.48Å; F860-A864 HydrophobicContact CZ-CB 4.42Å; F860-A864 VanDerWaalsContact O-CB 3.23Å; F860-A864 WeakPolarHBondContact O-CB 3.22Å; F860-A864 PolarHBondContact O-N 2.91Å
861	I	95	Very high	93.6	Very high	24 Å²	24	39 Å²	39	12%	0.123	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-45.7	-178.7	-71	163.7	0	0	0	110.2	V825 V827 R857 R858 W863 A864 Y865	V825-I861 HydrophobicContact CG1-CG1 4.2Å; V827-I861 HydrophobicContact CG2-CD1 3.53Å; V827-I861 HydrophobicContact CG2-CG1 4.38Å; R857-I861 HydrophobicContact CG-CD1 3.67Å; R857-I861 VanDerWaalsContact O-CD1 3.29Å; R857-I861 WeakPolarHBondContact O-CD1 3.48Å; R857-I861 WeakPolarHBondContact O-CG1 3.43Å; R857-I861 PolarHBondContact O-N 3.39Å; R857-I861 VanDerWaalsContact O-N 3.09Å; R858-I861 WeakPolarHBondContact O-CA 3.42Å; R858-I861 WeakPolarHBondContact O-CB 3.33Å; R858-I861 PolarHBondContact O-N 2.99Å; I861-W863 PolarHBondContact O-N 2.78Å; I861-A864 PolarHBondContact O-N 2.91Å; I861-Y865 HydrophobicContact CG2-CD2 3.46Å; I861-Y865 VanDerWaalsContact CG2-CD2 3.46Å; I861-Y865 HydrophobicContact CG2-CE2 3.41Å; I861-Y865 VanDerWaalsContact CG2-CE2 3.41Å; I861-Y865 WeakPolarHBondContact O-CD2 3.49Å; I861-Y865 PolarHBondContact O-N 3.1Å
862	D	92.2	Very high	93.6	Very high	95 Å²	95	42.8 Å²	42.8	51%	0.508	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-46.4	179.1	-57.8	-34.1	0	0	0	111.3	R858 G866	R858-D862 PolarHBondContact O-N 3.41Å; R858-D862 VanDerWaalsContact O-OD2 3.1Å; D862-G866 PolarHBondContact O-N 3.07Å
863	W	94.6	Very high	93.7	Very high	34 Å²	34	42.2 Å²	42.2	13%	0.129	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-39.9	175.7	-69.2	-19.2	0	0	0	112.7	I705 I708 I734 T803 Q859 I861 S867	I705-W863 HydrophobicContact CG2-CB 4.03Å; I705-W863 HydrophobicContact CG2-CD2 4.02Å; I705-W863 HydrophobicContact CG2-CG 3.61Å; I708-W863 HydrophobicContact CD1-CE3 3.86Å; I708-W863 HydrophobicContact CD1-CZ3 3.78Å; I708-W863 HydrophobicContact CG1-CE3 4.16Å; I708-W863 HydrophobicContact CG1-CZ3 3.67Å; I734-W863 HydrophobicContact CD1-CB 4.5Å; I734-W863 HydrophobicContact CD1-CE3 3.69Å; I734-W863 HydrophobicContact CD1-CZ3 4.39Å; I734-W863 HydrophobicContact CG2-CB 4.14Å; T803-W863 HydrophobicContact CG2-CH2 4.34Å; T803-W863 HydrophobicContact CG2-CZ2 3.73Å; Q859-W863 HydrophobicContact CG-CD2 4.05Å; Q859-W863 HydrophobicContact CG-CE3 4.17Å; Q859-W863 HydrophobicContact CG-CH2 3.85Å; Q859-W863 HydrophobicContact CG-CZ2 3.68Å; Q859-W863 HydrophobicContact CG-CZ3 4.09Å; Q859-W863 VanDerWaalsContact NE2-NE1 3.17Å; Q859-W863 WeakPolarHBondContact O-CB 3.3Å; Q859-W863 VanDerWaalsContact O-CG 3.3Å; Q859-W863 PolarHBondContact O-N 3.33Å; I861-W863 PolarHBondContact O-N 2.78Å; W863-S867 PolarHBondContact O-N 3.43Å; W863-S867 VanDerWaalsContact O-N 3.12Å; W863-S867 PolarHBondContact O-OG 3.06Å
864	A	94.7	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-46.4	179.2	0	0	0	0	0	112.1	F820 V825 F860 I861 G866 S867 I868	F820-A864 HydrophobicContact CE1-CB 4.11Å; V825-A864 HydrophobicContact CG2-CB 3.91Å; F860-A864 HydrophobicContact CE1-CB 4.48Å; F860-A864 HydrophobicContact CZ-CB 4.42Å; F860-A864 VanDerWaalsContact O-CB 3.23Å; F860-A864 WeakPolarHBondContact O-CB 3.22Å; F860-A864 PolarHBondContact O-N 2.91Å; I861-A864 PolarHBondContact O-N 2.91Å; A864-G866 VanDerWaalsContact C-N 3.34Å; A864-G866 PolarHBondContact O-N 3.26Å; A864-S867 PolarHBondContact O-N 3.1Å; A864-I868 WeakPolarHBondContact O-CD1 3.43Å; A864-I868 VanDerWaalsContact O-CG1 3.23Å; A864-I868 WeakPolarHBondContact O-CG1 3.4Å; A864-I868 PolarHBondContact O-N 3.48Å
865	Y	93.4	Very high	93.8	Very high	111 Å²	111	40.2 Å²	40.2	44%	0.435	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-37.8	175.5	-79.8	-55.3	0	0	0	112.1	V825 I861 S867 I868 A869	V825-Y865 HydrophobicContact CB-CE1 4.25Å; V825-Y865 HydrophobicContact CB-CE2 4.43Å; V825-Y865 HydrophobicContact CG2-CD1 4.45Å; V825-Y865 HydrophobicContact CG2-CE1 4.24Å; V825-Y865 PolarHBondContact O-OH 3.48Å; I861-Y865 HydrophobicContact CG2-CD2 3.46Å; I861-Y865 VanDerWaalsContact CG2-CD2 3.46Å; I861-Y865 HydrophobicContact CG2-CE2 3.41Å; I861-Y865 VanDerWaalsContact CG2-CE2 3.41Å; I861-Y865 WeakPolarHBondContact O-CD2 3.49Å; I861-Y865 PolarHBondContact O-N 3.1Å; Y865-S867 PolarHBondContact O-N 3.48Å; Y865-I868 PolarHBondContact O-N 3.2Å; Y865-A869 VanDerWaalsContact O-CB 3.26Å; Y865-A869 WeakPolarHBondContact O-CB 3.28Å; Y865-A869 PolarHBondContact O-N 2.97Å
866	G	92.2	Very high	93.8	Very high	42 Å²	42	42.4 Å²	42.4	43%	0.433	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-47.7	173.2	0	0	0	0	0	112.8	D862 A864 E870	D862-G866 PolarHBondContact O-N 3.07Å; A864-G866 VanDerWaalsContact C-N 3.34Å; A864-G866 PolarHBondContact O-N 3.26Å; G866-E870 PolarHBondContact O-N 2.82Å
867	S	95.7	Very high	93.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-43.2	176.1	-66.9	0	0	0	0	113.4	I705 F735 N736 W863 A864 Y865 E870 M871	I705-S867 VanDerWaalsContact CD1-OG 3.28Å; I705-S867 WeakPolarHBondContact CD1-OG 3.38Å; F735-S867 PolarHBondContact O-OG 3.34Å; N736-S867 VanDerWaalsContact O-CB 3.31Å; N736-S867 WeakPolarHBondContact O-CB 3.41Å; W863-S867 PolarHBondContact O-N 3.43Å; W863-S867 VanDerWaalsContact O-N 3.12Å; W863-S867 PolarHBondContact O-OG 3.06Å; A864-S867 PolarHBondContact O-N 3.1Å; Y865-S867 PolarHBondContact O-N 3.48Å; S867-E870 PolarHBondContact O-N 3.14Å; S867-M871 WeakPolarHBondContact O-CG 3.41Å; S867-M871 PolarHBondContact O-N 2.94Å
868	I	95	Very high	93.4	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-48.1	177.1	-67.8	160	0	0	0	109.9	F820 L823 V825 A864 Y865 E870 M871 E872	F820-I868 HydrophobicContact CB-CG1 4.3Å; F820-I868 HydrophobicContact CD1-CD1 4.36Å; F820-I868 HydrophobicContact CD1-CG1 3.74Å; F820-I868 HydrophobicContact CG-CG1 4.43Å; L823-I868 HydrophobicContact CB-CD1 4.32Å; L823-I868 HydrophobicContact CB-CG1 4.39Å; L823-I868 WeakPolarHBondContact O-CD1 3.34Å; V825-I868 HydrophobicContact CG2-CD1 3.82Å; A864-I868 WeakPolarHBondContact O-CD1 3.43Å; A864-I868 VanDerWaalsContact O-CG1 3.23Å; A864-I868 WeakPolarHBondContact O-CG1 3.4Å; A864-I868 PolarHBondContact O-N 3.48Å; Y865-I868 PolarHBondContact O-N 3.2Å; I868-E870 PolarHBondContact O-N 2.73Å; I868-M871 PolarHBondContact O-N 2.94Å; I868-M871 VanDerWaalsContact O-N 3.15Å; I868-E872 HydrophobicContact CG2-CG 4.37Å; I868-E872 WeakPolarHBondContact O-CG 3.37Å; I868-E872 PolarHBondContact O-N 3.33Å
869	A	92.9	Very high	93.1	Very high	26 Å²	26	44 Å²	44	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-41.8	179.3	0	0	0	0	0	112.6	R483 Y865 E873	R483-A869 HydrophobicContact CG-CB 4.4Å; R483-A869 VanDerWaalsContact CZ-O 3.3Å; R483-A869 PolarHBondContact NE-O 3.29Å; R483-A869 PolarHBondContact NH2-O 2.85Å; Y865-A869 VanDerWaalsContact O-CB 3.26Å; Y865-A869 WeakPolarHBondContact O-CB 3.28Å; Y865-A869 PolarHBondContact O-N 2.97Å; A869-E873 WeakPolarHBondContact O-CB 3.32Å; A869-E873 PolarHBondContact O-N 2.7Å; A869-E873 VanDerWaalsContact O-N 3.11Å
870	E	94.5	Very high	92.7	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-41	174.1	-164	-170.2	120.2	0	0	111.4	L486 A487 T490 R703 N736 G866 S867 I868 E873 L874	L486-E870 HydrophobicContact CB-CG 4.44Å; A487-E870 HydrophobicContact CB-CG 4.29Å; T490-E870 WeakPolarHBondContact CB-OE1 3.25Å; T490-E870 PolarHBondContact OG1-OE1 2.69Å; R703-E870 IonicContact CZ-OE2 3.09Å; R703-E870 IonicContact NH1-OE2 2.63Å; R703-E870 IonicContact NH2-OE2 2.67Å; R703-E870 PolarHBondContact NH2-OE2 3.4Å; N736-E870 PolarHBondContact ND2-OE1 3.02Å; G866-E870 PolarHBondContact O-N 2.82Å; S867-E870 PolarHBondContact O-N 3.14Å; I868-E870 PolarHBondContact O-N 2.73Å; E870-E873 PolarHBondContact O-N 3.02Å; E870-L874 VanDerWaalsContact O-CG 3.26Å; E870-L874 WeakPolarHBondContact O-CG 3.34Å; E870-L874 PolarHBondContact O-N 3.47Å
871	M	94.9	Very high	92	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-73.2	-35.4	-178.9	-68.4	-53.5	103.7	0	0	113.6	N736 D737 F820 L821 S867 I868 L874 Q875	N736-M871 HydrophobicContact CB-CE 4.38Å; N736-M871 WeakPolarHBondContact O-CE 3.49Å; N736-M871 WeakPolarHBondContact O-CG 3.39Å; D737-M871 HydrophobicContact CB-CE 4.23Å; D737-M871 HydrophobicContact CB-SD 3.76Å; F820-M871 HydrophobicContact CB-CG 4.11Å; L821-M871 HydrophobicContact CD1-CB 4.38Å; S867-M871 WeakPolarHBondContact O-CG 3.41Å; S867-M871 PolarHBondContact O-N 2.94Å; I868-M871 PolarHBondContact O-N 2.94Å; I868-M871 VanDerWaalsContact O-N 3.15Å; M871-L874 HydrophobicContact CE-CD1 3.44Å; M871-L874 VanDerWaalsContact CE-CD1 3.44Å; M871-L874 HydrophobicContact SD-CD1 4.06Å; M871-Q875 WeakPolarHBondContact O-CB 3.21Å; M871-Q875 PolarHBondContact O-N 2.88Å
872	E	93.4	Very high	91.2	Very high	80 Å²	80	50.7 Å²	50.7	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-46.6	169.9	-76.9	173.6	-179.8	0	0	111.9	R483 I868 L874 Q875 Q876	R483-E872 IonicContact CZ-OE2 2.83Å; R483-E872 VanDerWaalsContact NH2-CB 3.29Å; R483-E872 IonicContact NH2-OE2 3.7Å; R483-E872 PolarHBondContact NH2-OE2 3.18Å; I868-E872 HydrophobicContact CG2-CG 4.37Å; I868-E872 WeakPolarHBondContact O-CG 3.37Å; I868-E872 PolarHBondContact O-N 3.33Å; E872-L874 VanDerWaalsContact C-N 3.31Å; E872-L874 PolarHBondContact O-N 3.33Å; E872-Q875 WeakPolarHBondContact O-CB 2.98Å; E872-Q875 PolarHBondContact O-N 3.31Å; E872-Q876 WeakPolarHBondContact O-CG 3.42Å; E872-Q876 PolarHBondContact O-N 3.04Å
873	E	93.4	Very high	90.2	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.103	24%	0.24	C	C	.	.	H	α-helix	trans	-57	-46.5	178.8	-171.9	85.3	161.9	0	0	110.6	R483 T484 A487 Y502 A869 E870 Q875 Q876 H877	R483-E873 HydrophobicContact CG-CB 4.34Å; R483-E873 HydrophobicContact CG-CG 4.47Å; R483-E873 IonicContact CZ-OE2 2.72Å; R483-E873 IonicContact NE-OE2 3.5Å; R483-E873 PolarHBondContact NE-OE2 3.05Å; T484-E873 PolarHBondContact OG1-OE1 3.18Å; A487-E873 HydrophobicContact CB-CB 4.04Å; A487-E873 HydrophobicContact CB-CG 3.6Å; Y502-E873 WeakPolarHBondContact OH-CG 3.21Å; Y502-E873 PolarHBondContact OH-OE1 2.75Å; A869-E873 WeakPolarHBondContact O-CB 3.32Å; A869-E873 PolarHBondContact O-N 2.7Å; A869-E873 VanDerWaalsContact O-N 3.11Å; E870-E873 PolarHBondContact O-N 3.02Å; E873-Q875 VanDerWaalsContact C-N 3.33Å; E873-Q875 PolarHBondContact O-N 3.43Å; E873-Q876 PolarHBondContact O-N 3.09Å; E873-H877 PolarHBondContact O-N 3.08Å
874	L	93.7	Very high	89.2	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-33.3	176.3	-66.7	173.9	0	0	0	112.9	A487 T490 L491 E870 M871 E872 Q878	A487-L874 HydrophobicContact CB-CD2 3.97Å; A487-L874 HydrophobicContact CB-CG 4.19Å; A487-L874 WeakPolarHBondContact O-CD2 3.46Å; T490-L874 HydrophobicContact CG2-CD1 3.51Å; L491-L874 HydrophobicContact CD1-CD2 4.07Å; L491-L874 HydrophobicContact CD2-CD2 3.75Å; L491-L874 HydrophobicContact CG-CD2 3.51Å; E870-L874 VanDerWaalsContact O-CG 3.26Å; E870-L874 WeakPolarHBondContact O-CG 3.34Å; E870-L874 PolarHBondContact O-N 3.47Å; M871-L874 HydrophobicContact CE-CD1 3.44Å; M871-L874 VanDerWaalsContact CE-CD1 3.44Å; M871-L874 HydrophobicContact SD-CD1 4.06Å; E872-L874 VanDerWaalsContact C-N 3.31Å; E872-L874 PolarHBondContact O-N 3.33Å; L874-Q878 VanDerWaalsContact O-CG 3.31Å; L874-Q878 WeakPolarHBondContact O-CG 3.21Å; L874-Q878 PolarHBondContact O-N 2.78Å; L874-Q878 VanDerWaalsContact O-N 3.11Å
875	Q	93.2	Very high	87.8	Confident	80 Å²	80	53 Å²	53	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-44.8	175.9	-169.2	-176.3	27.2	0	0	111	L821 M871 E872 E873 Q878 Q879	L821-Q875 HydrophobicContact CD1-CB 4Å; L821-Q875 HydrophobicContact CD1-CG 4.21Å; M871-Q875 WeakPolarHBondContact O-CB 3.21Å; M871-Q875 PolarHBondContact O-N 2.88Å; E872-Q875 WeakPolarHBondContact O-CB 2.98Å; E872-Q875 PolarHBondContact O-N 3.31Å; E873-Q875 VanDerWaalsContact C-N 3.33Å; E873-Q875 PolarHBondContact O-N 3.43Å; Q875-Q878 PolarHBondContact O-N 3.09Å; Q875-Q879 WeakPolarHBondContact O-CG 3.42Å; Q875-Q879 PolarHBondContact O-N 3.12Å
876	Q	91.6	Very high	86.4	Confident	103 Å²	103	53.3 Å²	53.3	48%	0.481	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-47.8	175.6	-68.3	177.7	30	0	0	110.8	E872 E873 Q878 Q879 V880	E872-Q876 WeakPolarHBondContact O-CG 3.42Å; E872-Q876 PolarHBondContact O-N 3.04Å; E873-Q876 PolarHBondContact O-N 3.09Å; Q876-Q878 VanDerWaalsContact C-N 3.31Å; Q876-Q878 PolarHBondContact O-N 3.05Å; Q876-Q879 WeakPolarHBondContact O-CB 3.03Å; Q876-Q879 PolarHBondContact O-N 3.29Å; Q876-V880 WeakPolarHBondContact O-CG2 3.28Å; Q876-V880 PolarHBondContact O-N 3.06Å
877	H	91	Very high	85	Confident	25 Å²	25	59.1 Å²	59.1	12%	0.116	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-41.2	176.5	-174.7	55.1	0	0	0	112.6	Y502 E873 Q879 V880 K881	Y502-H877 HydrophobicContact CD2-CB 4.42Å; Y502-H877 AromaticContact CD2-CD2 3.89Å; Y502-H877 AromaticContact CD2-CE1 3.75Å; Y502-H877 AromaticContact CD2-CG 3.69Å; Y502-H877 AromaticContact CD2-ND1 3.59Å; Y502-H877 AromaticContact CD2-NE2 3.94Å; Y502-H877 HydrophobicContact CE2-CB 3.97Å; Y502-H877 AromaticContact CE2-CG 3.73Å; Y502-H877 AromaticContact CE2-ND1 3.81Å; E873-H877 PolarHBondContact O-N 3.08Å; H877-Q879 VanDerWaalsContact C-N 3.34Å; H877-Q879 PolarHBondContact O-N 2.85Å; H877-V880 PolarHBondContact O-N 3.22Å; H877-K881 VanDerWaalsContact O-CB 3.31Å; H877-K881 WeakPolarHBondContact O-CB 3.19Å; H877-K881 PolarHBondContact O-N 3.46Å
878	Q	88.6	Confident	83.3	Confident	62 Å²	62	63 Å²	63	29%	0.29	31%	0.31	S	S	.	.	H	α-helix	trans	-66.2	-31	175.3	-75.4	180	34.9	0	0	113.8	L874 Q875 Q876 K882	L874-Q878 VanDerWaalsContact O-CG 3.31Å; L874-Q878 WeakPolarHBondContact O-CG 3.21Å; L874-Q878 PolarHBondContact O-N 2.78Å; L874-Q878 VanDerWaalsContact O-N 3.11Å; Q875-Q878 PolarHBondContact O-N 3.09Å; Q876-Q878 VanDerWaalsContact C-N 3.31Å; Q876-Q878 PolarHBondContact O-N 3.05Å; Q878-K882 WeakPolarHBondContact O-CD 3.47Å; Q878-K882 VanDerWaalsContact O-CG 3.24Å; Q878-K882 WeakPolarHBondContact O-CG 3.34Å; Q878-K882 PolarHBondContact O-N 3.18Å
879	Q	86.4	Confident	81.6	Confident	109 Å²	109	67.5 Å²	67.5	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-71	-48.2	174.2	-70.6	174.4	10.2	0	0	110.9	Q875 Q876 H877 K881 K882 S883	Q875-Q879 WeakPolarHBondContact O-CG 3.42Å; Q875-Q879 PolarHBondContact O-N 3.12Å; Q876-Q879 WeakPolarHBondContact O-CB 3.03Å; Q876-Q879 PolarHBondContact O-N 3.29Å; H877-Q879 VanDerWaalsContact C-N 3.34Å; H877-Q879 PolarHBondContact O-N 2.85Å; Q879-K881 PolarHBondContact O-N 2.79Å; Q879-K882 PolarHBondContact O-N 2.96Å; Q879-S883 PolarHBondContact O-N 3.29Å; Q879-S883 VanDerWaalsContact O-N 3.1Å
880	V	84.7	Confident	80.1	Confident	70 Å²	70	70.7 Å²	70.7	42%	0.424	35%	0.346	S	S	.	.	H	α-helix	trans	-55.3	-51.3	176	174	0	0	0	0	110.3	Q876 H877 K882 S883 E884	Q876-V880 WeakPolarHBondContact O-CG2 3.28Å; Q876-V880 PolarHBondContact O-N 3.06Å; H877-V880 PolarHBondContact O-N 3.22Å; V880-K882 VanDerWaalsContact C-N 3.32Å; V880-K882 PolarHBondContact O-N 3.27Å; V880-S883 PolarHBondContact O-N 2.77Å; V880-S883 PolarHBondContact O-OG 2.97Å; V880-E884 HydrophobicContact CG1-CG 4.39Å; V880-E884 PolarHBondContact O-N 2.88Å
881	K	81.3	Confident	78.4	Confident	75 Å²	75	73.8 Å²	73.8	33%	0.326	37%	0.365	S	S	.	.	H	α-helix	trans	-57.9	-38.4	179.3	-169.1	-175.2	-173.8	-169.8	0	113.4	E498 H877 Q879 E884 C885	E498-K881 IonicContact OE1-NZ 3.32Å; E498-K881 PolarHBondContact OE1-NZ 2.78Å; E498-K881 IonicContact OE2-NZ 3.36Å; E498-K881 PolarHBondContact OE2-NZ 2.81Å; H877-K881 VanDerWaalsContact O-CB 3.31Å; H877-K881 WeakPolarHBondContact O-CB 3.19Å; H877-K881 PolarHBondContact O-N 3.46Å; Q879-K881 PolarHBondContact O-N 2.79Å; K881-E884 PolarHBondContact O-N 2.77Å; K881-C885 PolarHBondContact O-N 2.97Å; K881-C885 VanDerWaalsContact O-N 3.13Å; K881-C885 PolarHBondContact O-SG 3.18Å; K881-C885 VanDerWaalsContact O-SG 3.36Å
882	K	77.5	Confident	76.3	Confident	97 Å²	97	77.8 Å²	77.8	42%	0.422	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-45.6	173.9	-74.1	166	-174	173.9	0	111.1	Q878 Q879 V880 E884 C885 E886	Q878-K882 WeakPolarHBondContact O-CD 3.47Å; Q878-K882 VanDerWaalsContact O-CG 3.24Å; Q878-K882 WeakPolarHBondContact O-CG 3.34Å; Q878-K882 PolarHBondContact O-N 3.18Å; Q879-K882 PolarHBondContact O-N 2.96Å; V880-K882 VanDerWaalsContact C-N 3.32Å; V880-K882 PolarHBondContact O-N 3.27Å; K882-E884 VanDerWaalsContact C-N 3.35Å; K882-E884 PolarHBondContact O-N 2.84Å; K882-C885 PolarHBondContact O-N 2.93Å; K882-E886 WeakPolarHBondContact O-CG 3.29Å; K882-E886 PolarHBondContact O-N 3.41Å
883	S	71.4	Confident	74.1	Confident	33 Å²	33	78.2 Å²	78.2	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-65.6	-33.8	177.8	80	0	0	0	0	113.2	Q879 V880 R887	Q879-S883 PolarHBondContact O-N 3.29Å; Q879-S883 VanDerWaalsContact O-N 3.1Å; V880-S883 PolarHBondContact O-N 2.77Å; V880-S883 PolarHBondContact O-OG 2.97Å; S883-R887 WeakPolarHBondContact O-CB 3.42Å; S883-R887 WeakPolarHBondContact O-CD 3.28Å; S883-R887 WeakPolarHBondContact O-CG 3.43Å; S883-R887 PolarHBondContact O-N 2.74Å
884	E	73	Confident	72.1	Confident	71 Å²	71	85.5 Å²	85.5	33%	0.332	43%	0.429	S	S	.	.	H	α-helix	trans	-62	-46.7	171.9	-71.8	-179.6	174.9	0	0	111.1	R505 V880 K881 K882 T888	R505-E884 IonicContact NH1-OE1 2.95Å; R505-E884 PolarHBondContact NH1-OE1 2.75Å; R505-E884 IonicContact NH1-OE2 2.75Å; R505-E884 PolarHBondContact NH1-OE2 3.24Å; V880-E884 HydrophobicContact CG1-CG 4.39Å; V880-E884 PolarHBondContact O-N 2.88Å; K881-E884 PolarHBondContact O-N 2.77Å; K882-E884 VanDerWaalsContact C-N 3.35Å; K882-E884 PolarHBondContact O-N 2.84Å; E884-T888 WeakPolarHBondContact O-CB 3.11Å; E884-T888 PolarHBondContact O-N 2.96Å; E884-T888 PolarHBondContact O-OG1 3.33Å
885	C	66.3	Low	69.9	Low	72 Å²	72	94.6 Å²	94.6	49%	0.486	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-45.8	176.3	-68.8	0	0	0	0	112.2	K881 K882 T888 I889	K881-C885 PolarHBondContact O-N 2.97Å; K881-C885 VanDerWaalsContact O-N 3.13Å; K881-C885 PolarHBondContact O-SG 3.18Å; K881-C885 VanDerWaalsContact O-SG 3.36Å; K882-C885 PolarHBondContact O-N 2.93Å; C885-T888 WeakPolarHBondContact O-CB 3.28Å; C885-T888 PolarHBondContact O-N 3.35Å; C885-I889 WeakPolarHBondContact O-CG1 3.19Å; C885-I889 PolarHBondContact O-N 3.39Å
886	E	62.8	Low	67.1	Low	119 Å²	119	94.6 Å²	94.6	56%	0.556	47%	0.472	S	S	*	.	H	α-helix	trans	-63.4	-44.4	179.2	-73.1	167.1	-170.7	0	0	111.9	K882 T888 I889 I890	K882-E886 WeakPolarHBondContact O-CG 3.29Å; K882-E886 PolarHBondContact O-N 3.41Å; E886-T888 VanDerWaalsContact C-N 3.31Å; E886-T888 PolarHBondContact O-N 3.32Å; E886-I889 PolarHBondContact O-N 3.03Å; E886-I890 VanDerWaalsContact O-CG1 3.31Å; E886-I890 WeakPolarHBondContact O-CG1 3.45Å; E886-I890 PolarHBondContact O-N 2.84Å
887	R	63.8	Low	64.8	Low	164 Å²	164	95.4 Å²	95.4	62%	0.619	49%	0.486	S	S	*	.	H	α-helix	trans	-58.7	-42	172.6	-73.9	167.6	179.6	159.1	-0.9	111.9	S883 I890 V891	S883-R887 WeakPolarHBondContact O-CB 3.42Å; S883-R887 WeakPolarHBondContact O-CD 3.28Å; S883-R887 WeakPolarHBondContact O-CG 3.43Å; S883-R887 PolarHBondContact O-N 2.74Å; R887-I890 PolarHBondContact O-N 2.62Å; R887-V891 WeakPolarHBondContact O-CG2 3.44Å; R887-V891 PolarHBondContact O-N 3.46Å
888	T	60.2	Low	62	Low	80 Å²	80	100.6 Å²	100.6	49%	0.491	52%	0.52	S	S	.	.	H	α-helix	trans	-63.2	-42.6	178.8	-56.1	0	0	0	0	111.7	E884 C885 E886 V891 N892	E884-T888 WeakPolarHBondContact O-CB 3.11Å; E884-T888 PolarHBondContact O-N 2.96Å; E884-T888 PolarHBondContact O-OG1 3.33Å; C885-T888 WeakPolarHBondContact O-CB 3.28Å; C885-T888 PolarHBondContact O-N 3.35Å; E886-T888 VanDerWaalsContact C-N 3.31Å; E886-T888 PolarHBondContact O-N 3.32Å; T888-V891 PolarHBondContact O-N 3.43Å; T888-N892 PolarHBondContact O-N 3.4Å
889	I	60	Low	59.6	Low	105 Å²	105	107.2 Å²	107.2	54%	0.538	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-46.8	174.4	-66.7	163.3	0	0	0	110.4	C885 E886 V891 N892 C893	C885-I889 WeakPolarHBondContact O-CG1 3.19Å; C885-I889 PolarHBondContact O-N 3.39Å; E886-I889 PolarHBondContact O-N 3.03Å; I889-V891 PolarHBondContact O-N 3.16Å; I889-N892 PolarHBondContact O-N 3Å; I889-C893 WeakPolarHBondContact O-CB 3.46Å; I889-C893 PolarHBondContact O-N 3.08Å; I889-C893 PolarHBondContact O-SG 3.42Å; I889-C893 VanDerWaalsContact O-SG 3.4Å
890	I	60.5	Low	56.9	Low	94 Å²	94	108.6 Å²	108.6	48%	0.482	56%	0.563	S	S	.	*	H	α-helix	trans	-61.8	-42	179.5	-66.7	163.4	0	0	0	111.7	E886 R887 K894	E886-I890 VanDerWaalsContact O-CG1 3.31Å; E886-I890 WeakPolarHBondContact O-CG1 3.45Å; E886-I890 PolarHBondContact O-N 2.84Å; R887-I890 PolarHBondContact O-N 2.62Å; I890-K894 HydrophobicContact CG2-CD 4.2Å; I890-K894 WeakPolarHBondContact O-CB 3.2Å; I890-K894 WeakPolarHBondContact O-CG 3.28Å; I890-K894 PolarHBondContact O-N 2.93Å
891	V	58	Low	54.6	Low	69 Å²	69	111.7 Å²	111.7	42%	0.418	58%	0.583	S	S	.	*	H	α-helix	trans	-64.9	-42	177.6	169.9	0	0	0	0	111.3	R887 T888 I889 K894 R895	R887-V891 WeakPolarHBondContact O-CG2 3.44Å; R887-V891 PolarHBondContact O-N 3.46Å; T888-V891 PolarHBondContact O-N 3.43Å; I889-V891 PolarHBondContact O-N 3.16Å; V891-K894 PolarHBondContact O-N 2.92Å; V891-R895 WeakPolarHBondContact O-CB 3.44Å; V891-R895 WeakPolarHBondContact O-CG 3.5Å; V891-R895 PolarHBondContact O-N 3.29Å; V891-R895 VanDerWaalsContact O-N 3.13Å
892	N	51.1	Low	52.3	Low	100 Å²	100	111.7 Å²	111.7	54%	0.535	60%	0.597	S	S	.	*	H	α-helix	trans	-68.3	-42.8	178.3	-72.3	-8	0	0	0	111.8	T888 I889 K894 R895 S896	T888-N892 PolarHBondContact O-N 3.4Å; I889-N892 PolarHBondContact O-N 3Å; N892-K894 VanDerWaalsContact C-N 3.27Å; N892-K894 PolarHBondContact O-N 3.23Å; N892-R895 PolarHBondContact O-N 2.85Å; N892-S896 PolarHBondContact O-N 2.87Å
893	C	48.8	Very low	50.2	Low	89 Å²	89	114.7 Å²	114.7	60%	0.601	62%	0.618	S	S	*	*	H	α-helix	trans	-65.5	-26.1	174.3	-68.8	0	0	0	0	113.6	I889 S896	I889-C893 WeakPolarHBondContact O-CB 3.46Å; I889-C893 PolarHBondContact O-N 3.08Å; I889-C893 PolarHBondContact O-SG 3.42Å; I889-C893 VanDerWaalsContact O-SG 3.4Å; C893-S896 PolarHBondContact O-OG 3.19Å
894	K	49.8	Very low	48.2	Very low	174 Å²	174	116.1 Å²	116.1	76%	0.757	64%	0.637	S	S	*	*	H	α-helix	trans	-82	-12.4	171.9	-75.2	-175.6	177.3	-172.3	0	113.8	I890 V891 N892	I890-K894 HydrophobicContact CG2-CD 4.2Å; I890-K894 WeakPolarHBondContact O-CB 3.2Å; I890-K894 WeakPolarHBondContact O-CG 3.28Å; I890-K894 PolarHBondContact O-N 2.93Å; V891-K894 PolarHBondContact O-N 2.92Å; N892-K894 VanDerWaalsContact C-N 3.27Å; N892-K894 PolarHBondContact O-N 3.23Å
895	R	47.4	Very low	46.1	Very low	196 Å²	196	119.5 Å²	119.5	74%	0.74	66%	0.663	S	S	*	*	H	α-helix	trans	-97	-3.7	179.8	-80.8	-179.5	170.2	-175.3	-3.6	114.5	V891 N892 P897	V891-R895 WeakPolarHBondContact O-CB 3.44Å; V891-R895 WeakPolarHBondContact O-CG 3.5Å; V891-R895 PolarHBondContact O-N 3.29Å; V891-R895 VanDerWaalsContact O-N 3.13Å; N892-R895 PolarHBondContact O-N 2.85Å; R895-P897 WeakPolarHBondContact O-CD 3.36Å
896	S	34.1	Very low	44.5	Very low	80 Å²	80	123.5 Å²	123.5	56%	0.559	68%	0.678	S	S	*	*	S	Bend	trans	-90	103.4	170	53	0	0	0	0	111	N892 C893 T898	N892-S896 PolarHBondContact O-N 2.87Å; C893-S896 PolarHBondContact O-OG 3.19Å; S896-T898 PolarHBondContact O-N 2.93Å
897	P	43.4	Very low	42.9	Very low	120 Å²	120	122.7 Å²	122.7	78%	0.779	69%	0.685	S	S	*	*			trans	-71.6	129.3	177.6	29.7	-34.8	0	0	0	111	R895 K899	R895-P897 WeakPolarHBondContact O-CD 3.36Å; P897-K899 PolarHBondContact O-N 3.28Å
898	T	33.7	Very low	41.6	Very low	133 Å²	133	120.1 Å²	120.1	82%	0.816	68%	0.683	S	S	*	*			trans	-74.1	111.2	177.3	50.2	0	0	0	0	111.1	S896	S896-T898 PolarHBondContact O-N 2.93Å
899	K	37	Very low	40.6	Very low	202 Å²	202	123.8 Å²	123.8	88%	0.878	70%	0.698	S	S	*	*			trans	-107.1	116.9	160	-81.9	-169.6	172.8	-176.5	0	109.8	P897	P897-K899 PolarHBondContact O-N 3.28Å
900	T	30.1	Very low	39.3	Very low	137 Å²	137	123.3 Å²	123.3	84%	0.84	70%	0.696	S	S	*	*			trans	-107.9	107.3	176.5	-56.6	0	0	0	0	108.6
901	T	36.8	Very low	38	Very low	135 Å²	135	122 Å²	122	83%	0.828	71%	0.707	S	S	*	*			trans	-141.5	144.4	168	-42.4	0	0	0	0	108.6
902	A	32.8	Very low	37	Very low	75 Å²	75	126.8 Å²	126.8	62%	0.62	73%	0.729	S	S	*	*			trans	-88	162.5	-178.1	0	0	0	0	0	112.4
903	N	33	Very low	36	Very low	161 Å²	161	131.4 Å²	131.4	86%	0.861	74%	0.739	S	S	*	*	S	Bend	trans	68.5	133.7	167	-53.9	-15.5	0	0	0	117.4
904	G	30.1	Very low	35.2	Very low	63 Å²	63	133.5 Å²	133.5	65%	0.649	75%	0.754	S	S	*	*	S	Bend	trans	78.1	106.4	152.5	0	0	0	0	0	117.8
905	T	28.7	Very low	34.3	Very low	141 Å²	141	131.7 Å²	131.7	87%	0.865	76%	0.757	S	S	*	*			trans	49	78.9	137.8	-40.6	0	0	0	0	117.2	S907	T905-S907 PolarHBondContact O-N 3.45Å
906	I	31.8	Very low	33.7	Very low	157 Å²	157	130.9 Å²	130.9	81%	0.805	76%	0.764	S	S	*	*			trans	-81.4	106	170.1	-58.9	178.1	0	0	0	109.9	I908	I906-I908 HydrophobicContact CG2-CG1 4.06Å
907	S	30.4	Very low	33.7	Very low	101 Å²	101	132.5 Å²	132.5	71%	0.706	77%	0.772	S	S	*	*			trans	-81.6	130.1	157.2	45.6	0	0	0	0	109.6	T905	T905-S907 PolarHBondContact O-N 3.45Å
908	I	36.5	Very low	33.1	Very low	110 Å²	110	131.7 Å²	131.7	56%	0.564	77%	0.769	S	S	*	*			trans	-96.7	114.5	176.5	-59.6	179.2	0	0	0	108.7	L58 I906	L58-I908 HydrophobicContact CD2-CB 4.49Å; I906-I908 HydrophobicContact CG2-CG1 4.06Å
909	I	37.8	Very low	33	Very low	158 Å²	158	130.5 Å²	130.5	81%	0.81	77%	0.767	S	S	*	*			trans	-88.3	120	169.7	-62.5	169.8	0	0	0	107.4
910	N	33.9	Very low	32.8	Very low	94 Å²	94	132.1 Å²	132.1	50%	0.503	77%	0.767	S	S	.	*			trans	-86.9	143.2	170.3	-63.1	-61.1	0	0	0	110.9	Q60	Q60-N910 PolarHBondContact OE1-ND2 2.91Å
911	G	32.6	Very low	32.8	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	77%	0.767	S	S	*	*			trans	166	93	170.7	0	0	0	0	0	111.2
912	D	37.5	Very low	32.7	Very low	168 Å²	168	131.5 Å²	131.5	90%	0.898	76%	0.763	S	S	*	*				-173.5	167	95.7	-111.5	-35.9	0	0	0	113.6
913	R	30.1	Very low	32.5	Very low	198 Å²	198	136.2 Å²	136.2	75%	0.747	77%	0.772	S	S	*	*			trans	-89.6	142.9	178.6	-57.5	178.5	-174.8	-177.5	2.4	110.9
914	C	30.9	Very low	32.5	Very low	133 Å²	133	137.6 Å²	137.6	90%	0.899	77%	0.77	S	S	*	*			trans	-131.2	118.7	159.6	-87.4	0	0	0	0	110.2
915	V	31.7	Very low	32.5	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-78.5	134.2	174.7	176.7	0	0	0	0	108.6	P917	V915-P917 WeakPolarHBondContact O-CD 3.44Å
916	M	35.1	Very low	32.9	Very low	180 Å²	180	139.9 Å²	139.9	89%	0.887	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-83.8	117.8	170.2	-80.7	-66.5	-135.1	0	0	110.1
917	P	34.5	Very low	33	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-77.8	160.9	175.2	33.2	-35.4	0	0	0	111.9	V915	V915-P917 WeakPolarHBondContact O-CD 3.44Å
918	S	30	Very low	33.4	Very low	103 Å²	103	143.5 Å²	143.5	72%	0.72	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-73.8	149.5	173.5	49.4	0	0	0	0	112.7
919	S	31.7	Very low	33.6	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	78%	0.775	S	S	*	*			trans	49.2	109.4	157.5	59.6	0	0	0	0	119
920	R	33.2	Very low	33.6	Very low	236 Å²	236	147.3 Å²	147.3	89%	0.891	80%	0.8	S	S	*	*				-160.2	137.7	122.4	-107.4	162.8	-165.9	-158.5	2	110.5
921	V	30.6	Very low	33.6	Very low	139 Å²	139	150 Å²	150	84%	0.842	82%	0.815	S	S	*	*			trans	-73.5	125.5	163.7	176.2	0	0	0	0	106.8
922	T	33.3	Very low	33.6	Very low	119 Å²	119	154.3 Å²	154.3	73%	0.73	82%	0.821	S	S	*	*			trans	-132.3	114.9	165.4	47	0	0	0	0	108
923	E	28.5	Very low	33.4	Very low	174 Å²	174	153.6 Å²	153.6	81%	0.813	82%	0.816	S	S	*	*			trans	-64.7	140	173.5	-63.3	173.2	115.7	0	0	109.4
924	K	33	Very low	33.6	Very low	191 Å²	191	150.9 Å²	150.9	83%	0.83	82%	0.82	S	S	*	*			trans	-121.5	87.6	159.8	-81	-162.8	170.1	-172	0	109.2	I926	K924-I926 PolarHBondContact O-N 3.33Å
925	V	30.9	Very low	33.7	Very low	118 Å²	118	152.1 Å²	152.1	72%	0.715	82%	0.815	S	S	*	*			trans	-49.5	123.7	157.1	178.1	0	0	0	0	107.9	L927	V925-L927 HydrophobicContact CG1-CG 4.12Å
926	I	37.3	Very low	33.9	Very low	133 Å²	133	153.2 Å²	153.2	68%	0.682	82%	0.815	S	S	*	*			trans	-108.9	95.7	167.4	-60.8	-179.2	0	0	0	106.3	K924 F928	K924-I926 PolarHBondContact O-N 3.33Å; I926-F928 HydrophobicContact CG2-CD2 4.23Å; I926-F928 HydrophobicContact CG2-CE2 3.97Å; I926-F928 PolarHBondContact O-N 2.97Å
927	L	33	Very low	33.8	Very low	141 Å²	141	151.3 Å²	151.3	74%	0.738	81%	0.81	S	S	*	*			trans	-64.7	121.8	165.9	-79.3	157	0	0	0	108.5	V925	V925-L927 HydrophobicContact CG1-CG 4.12Å
928	F	39.2	Very low	33.7	Very low	193 Å²	193	154.2 Å²	154.2	85%	0.846	82%	0.815	S	S	*	*			trans	-91.8	107.7	157.3	-80.8	-91.2	0	0	0	107.3	I926	I926-F928 HydrophobicContact CG2-CD2 4.23Å; I926-F928 HydrophobicContact CG2-CE2 3.97Å; I926-F928 PolarHBondContact O-N 2.97Å
929	N	40.3	Very low	34.1	Very low	132 Å²	132	158.4 Å²	158.4	71%	0.706	82%	0.823	S	S	*	*			trans	-83.4	132.4	164.2	-81.7	0.5	0	0	0	108.7
930	T	37.6	Very low	34.3	Very low	217 Å²	217	163 Å²	163	100%	1.331	83%	0.83	S	S	*	*			trans	52	0	169.7	63.3	0	0	0	0	116.3

Retrieved 930 of 930 residues in 257.9 ms (Link to these results)

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